NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3026 | 1d1h | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA GLU 1 HA GLU 1 -9.691 2.066 -6.350 2 1HB GLU 1 2HB GLU 1 -10.085 -0.451 -4.727 3 2HB GLU 1 1HB GLU 1 -10.994 1.048 -4.605 4 1HG GLU 1 2HG GLU 1 -11.722 0.633 -6.995 5 2HG GLU 1 1HG GLU 1 -11.060 -0.989 -6.806 6 1HT GLU 1 1HT GLU 1 -9.505 0.251 -7.781 7 2HT GLU 1 2HT GLU 1 -8.560 -0.632 -6.652 8 3HT GLU 1 3HT GLU 1 -7.920 0.777 -7.396 9 H CYS 2 H CYS 2 -8.586 3.414 -5.098 10 HA CYS 2 HA CYS 2 -6.083 2.872 -4.044 11 1HB CYS 2 2HB CYS 2 -6.157 5.106 -3.959 12 2HB CYS 2 1HB CYS 2 -7.896 5.094 -4.127 13 H ARG 3 H ARG 3 -5.875 1.182 -2.828 14 HA ARG 3 HA ARG 3 -7.543 0.679 -0.557 15 1HB ARG 3 2HB ARG 3 -5.360 -0.724 -1.988 16 2HB ARG 3 1HB ARG 3 -5.482 -1.055 -0.267 17 1HG ARG 3 2HG ARG 3 -7.054 -2.082 -2.439 18 2HG ARG 3 1HG ARG 3 -7.006 -2.595 -0.754 19 1HD ARG 3 2HD ARG 3 -8.649 -0.941 -0.151 20 2HD ARG 3 1HD ARG 3 -8.600 -0.248 -1.771 21 HE ARG 3 HE ARG 3 -9.432 -3.040 -1.482 22 1HH1 ARG 3 1HH1 ARG 3 -10.302 0.283 -2.127 23 2HH1 ARG 3 2HH1 ARG 3 -11.829 -0.128 -2.827 24 1HH2 ARG 3 1HH2 ARG 3 -11.439 -3.573 -2.399 25 2HH2 ARG 3 2HH2 ARG 3 -12.476 -2.313 -2.981 26 H TYR 4 H TYR 4 -7.351 2.253 0.820 27 HA TYR 4 HA TYR 4 -5.105 3.689 1.555 28 1HB TYR 4 2HB TYR 4 -7.640 3.901 2.250 29 2HB TYR 4 1HB TYR 4 -7.139 2.942 3.638 30 HD1 TYR 4 1HD TYR 4 -5.464 5.732 1.797 31 HD2 TYR 4 2HD TYR 4 -7.050 4.322 5.484 32 HE1 TYR 4 1HE TYR 4 -4.663 7.771 2.915 33 HE2 TYR 4 2HE TYR 4 -6.258 6.357 6.610 34 HH TYR 4 HH TYR 4 -4.423 8.084 6.214 35 H LEU 5 H LEU 5 -4.659 3.419 4.265 36 HA LEU 5 HA LEU 5 -2.746 1.383 4.397 37 1HB LEU 5 2HB LEU 5 -2.892 3.486 5.811 38 2HB LEU 5 1HB LEU 5 -4.080 2.638 6.785 39 HG LEU 5 HG LEU 5 -2.224 0.825 7.019 40 1HD1 LEU 5 1HD1 LEU 5 -0.009 2.356 7.139 41 2HD1 LEU 5 2HD1 LEU 5 -0.810 3.066 5.738 42 3HD1 LEU 5 3HD1 LEU 5 -0.432 1.343 5.758 43 1HD2 LEU 5 1HD2 LEU 5 -2.541 3.425 8.416 44 2HD2 LEU 5 2HD2 LEU 5 -1.150 2.425 8.832 45 3HD2 LEU 5 3HD2 LEU 5 -2.783 1.782 9.009 46 H PHE 6 H PHE 6 -3.049 -0.732 4.467 47 HA PHE 6 HA PHE 6 -3.725 -2.753 5.356 48 1HB PHE 6 2HB PHE 6 -4.415 -1.403 7.418 49 2HB PHE 6 1HB PHE 6 -6.028 -1.357 6.713 50 HD1 PHE 6 1HD PHE 6 -7.516 -3.084 7.110 51 HD2 PHE 6 2HD PHE 6 -3.358 -3.730 7.750 52 HE1 PHE 6 1HE PHE 6 -8.012 -5.284 8.094 53 HE2 PHE 6 2HE PHE 6 -3.847 -5.931 8.733 54 HZ PHE 6 HZ PHE 6 -6.177 -6.712 8.905 55 H GLY 7 H GLY 7 -4.612 -1.400 2.893 56 1HA GLY 7 2HA GLY 7 -7.277 -2.596 2.531 57 2HA GLY 7 1HA GLY 7 -6.557 -1.378 1.489 58 H GLY 8 H GLY 8 -7.518 -4.435 1.445 59 1HA GLY 8 2HA GLY 8 -5.435 -6.021 0.540 60 2HA GLY 8 1HA GLY 8 -7.105 -6.189 0.018 61 H CYS 9 H CYS 9 -4.022 -5.698 -1.038 62 HA CYS 9 HA CYS 9 -4.986 -4.437 -3.522 63 1HB CYS 9 2HB CYS 9 -2.611 -3.568 -3.763 64 2HB CYS 9 1HB CYS 9 -3.593 -2.815 -2.512 65 H LYS 10 H LYS 10 -4.495 -5.411 -5.407 66 HA LYS 10 HA LYS 10 -3.337 -8.049 -5.308 67 1HB LYS 10 2HB LYS 10 -4.193 -6.498 -7.752 68 2HB LYS 10 1HB LYS 10 -3.971 -8.236 -7.624 69 1HG LYS 10 2HG LYS 10 -6.075 -6.640 -6.180 70 2HG LYS 10 1HG LYS 10 -6.332 -7.598 -7.639 71 1HD LYS 10 2HD LYS 10 -5.570 -9.606 -6.384 72 2HD LYS 10 1HD LYS 10 -5.488 -8.613 -4.927 73 1HE LYS 10 2HE LYS 10 -8.026 -8.171 -6.064 74 2HE LYS 10 1HE LYS 10 -7.751 -9.913 -6.109 75 1HZ LYS 10 1HZ LYS 10 -7.959 -10.062 -3.910 76 2HZ LYS 10 2HZ LYS 10 -8.628 -8.510 -3.962 77 3HZ LYS 10 3HZ LYS 10 -6.984 -8.709 -3.618 78 H THR 11 H THR 11 -2.298 -4.883 -5.910 79 HA THR 11 HA THR 11 0.417 -5.725 -6.290 80 HB THR 11 HB THR 11 0.541 -5.588 -8.514 81 HG1 THR 11 1HG THR 11 1.134 -3.607 -8.801 82 1HG2 THR 11 1HG2 THR 11 -1.522 -4.590 -9.806 83 2HG2 THR 11 2HG2 THR 11 -2.328 -4.899 -8.268 84 3HG2 THR 11 3HG2 THR 11 -1.548 -6.221 -9.137 85 H THR 12 H THR 12 1.677 -3.530 -6.977 86 HA THR 12 HA THR 12 1.274 -1.788 -4.747 87 HB THR 12 HB THR 12 3.166 -1.822 -7.077 88 HG1 THR 12 1HG THR 12 3.425 -3.055 -5.037 89 1HG2 THR 12 1HG2 THR 12 2.816 0.405 -5.099 90 2HG2 THR 12 2HG2 THR 12 2.825 0.498 -6.861 91 3HG2 THR 12 3HG2 THR 12 4.313 0.123 -5.989 92 H SER 13 H SER 13 0.374 -1.781 -8.093 93 HA SER 13 HA SER 13 -0.390 0.987 -8.111 94 1HB SER 13 2HB SER 13 -0.602 0.774 -10.376 95 2HB SER 13 1HB SER 13 0.417 -0.636 -10.088 96 HG SER 13 HG SER 13 -1.332 -1.945 -10.248 97 H ASP 14 H ASP 14 -1.673 -1.296 -6.423 98 HA ASP 14 HA ASP 14 -4.461 -0.774 -7.200 99 1HB ASP 14 2HB ASP 14 -3.136 -3.094 -5.828 100 2HB ASP 14 1HB ASP 14 -4.861 -2.804 -5.621 101 H CYS 15 H CYS 15 -2.273 0.488 -5.200 102 HA CYS 15 HA CYS 15 -4.206 0.836 -3.008 103 1HB CYS 15 2HB CYS 15 -1.215 1.193 -2.807 104 2HB CYS 15 1HB CYS 15 -2.380 1.225 -1.491 105 H CYS 16 H CYS 16 -3.939 2.888 -1.810 106 HA CYS 16 HA CYS 16 -4.503 5.063 -3.403 107 1HB CYS 16 2HB CYS 16 -3.478 5.130 -0.577 108 2HB CYS 16 1HB CYS 16 -4.429 6.376 -1.385 109 H LYS 17 H LYS 17 -2.808 6.978 -1.899 110 HA LYS 17 HA LYS 17 -0.715 7.072 -3.912 111 1HB LYS 17 2HB LYS 17 -1.706 9.099 -1.911 112 2HB LYS 17 1HB LYS 17 -0.342 9.386 -2.983 113 1HG LYS 17 2HG LYS 17 -1.719 10.022 -4.592 114 2HG LYS 17 1HG LYS 17 -2.526 8.454 -4.546 115 1HD LYS 17 2HD LYS 17 -4.329 9.669 -3.955 116 2HD LYS 17 1HD LYS 17 -3.590 9.641 -2.353 117 1HE LYS 17 2HE LYS 17 -2.512 11.781 -2.805 118 2HE LYS 17 1HE LYS 17 -3.212 11.803 -4.422 119 1HZ LYS 17 1HZ LYS 17 -4.724 11.871 -1.865 120 2HZ LYS 17 2HZ LYS 17 -5.419 11.839 -3.406 121 3HZ LYS 17 3HZ LYS 17 -4.496 13.171 -2.924 122 H HIS 18 H HIS 18 -0.695 8.010 -0.500 123 HA HIS 18 HA HIS 18 2.041 7.719 -0.198 124 1HB HIS 18 2HB HIS 18 -0.233 7.894 1.726 125 2HB HIS 18 1HB HIS 18 1.395 7.590 2.322 126 HD1 HIS 18 1HD HIS 18 3.206 9.490 1.653 127 HD2 HIS 18 2HD HIS 18 -0.802 10.519 1.268 128 HE1 HIS 18 1HE HIS 18 3.166 12.003 1.541 129 HE2 HIS 18 2HE HIS 18 0.734 12.602 1.266 130 H LEU 19 H LEU 19 -0.276 5.326 -0.455 131 HA LEU 19 HA LEU 19 1.205 3.409 1.166 132 1HB LEU 19 2HB LEU 19 -1.444 3.322 -0.234 133 2HB LEU 19 1HB LEU 19 -0.693 1.871 0.400 134 HG LEU 19 HG LEU 19 -0.816 4.051 2.345 135 1HD1 LEU 19 1HD1 LEU 19 -3.217 3.812 2.764 136 2HD1 LEU 19 2HD1 LEU 19 -3.370 2.846 1.297 137 3HD1 LEU 19 3HD1 LEU 19 -2.889 4.540 1.192 138 1HD2 LEU 19 1HD2 LEU 19 -2.024 1.336 2.625 139 2HD2 LEU 19 2HD2 LEU 19 -1.208 2.332 3.830 140 3HD2 LEU 19 3HD2 LEU 19 -0.271 1.519 2.576 141 H GLY 20 H GLY 20 1.798 1.356 0.395 142 1HA GLY 20 2HA GLY 20 2.126 1.036 -2.497 143 2HA GLY 20 1HA GLY 20 3.574 1.021 -1.495 144 H CYS 21 H CYS 21 1.725 -1.019 -3.093 145 HA CYS 21 HA CYS 21 1.103 -2.949 -1.089 146 1HB CYS 21 2HB CYS 21 0.013 -2.591 -3.425 147 2HB CYS 21 1HB CYS 21 1.314 -3.630 -3.994 148 H LYS 22 H LYS 22 2.419 -4.370 -0.185 149 HA LYS 22 HA LYS 22 5.007 -4.901 -1.472 150 1HB LYS 22 2HB LYS 22 4.122 -5.004 1.405 151 2HB LYS 22 1HB LYS 22 5.632 -5.722 0.864 152 1HG LYS 22 2HG LYS 22 4.857 -2.821 0.669 153 2HG LYS 22 1HG LYS 22 6.037 -3.529 1.775 154 1HD LYS 22 2HD LYS 22 6.885 -4.389 -0.706 155 2HD LYS 22 1HD LYS 22 6.325 -2.743 -1.014 156 1HE LYS 22 2HE LYS 22 8.475 -3.685 0.854 157 2HE LYS 22 1HE LYS 22 8.581 -2.494 -0.442 158 1HZ LYS 22 1HZ LYS 22 8.346 -1.001 1.176 159 2HZ LYS 22 2HZ LYS 22 7.810 -2.146 2.300 160 3HZ LYS 22 3HZ LYS 22 6.714 -1.445 1.219 161 H PHE 23 H PHE 23 5.177 -6.782 -2.477 162 HA PHE 23 HA PHE 23 3.316 -8.827 -2.420 163 1HB PHE 23 2HB PHE 23 4.829 -10.094 -3.735 164 2HB PHE 23 1HB PHE 23 5.109 -8.411 -4.160 165 HD1 PHE 23 1HD PHE 23 6.801 -11.237 -3.990 166 HD2 PHE 23 2HD PHE 23 6.854 -7.435 -2.079 167 HE1 PHE 23 1HE PHE 23 9.192 -11.525 -3.487 168 HE2 PHE 23 2HE PHE 23 9.244 -7.715 -1.576 169 HZ PHE 23 HZ PHE 23 10.418 -9.762 -2.281 170 H ARG 24 H ARG 24 2.907 -9.110 -0.146 171 HA ARG 24 HA ARG 24 4.061 -11.425 0.914 172 1HB ARG 24 2HB ARG 24 4.856 -9.775 3.019 173 2HB ARG 24 1HB ARG 24 5.903 -10.674 1.930 174 1HG ARG 24 2HG ARG 24 6.451 -8.828 0.706 175 2HG ARG 24 1HG ARG 24 4.926 -8.010 1.052 176 1HD ARG 24 2HD ARG 24 5.847 -6.911 2.748 177 2HD ARG 24 1HD ARG 24 6.379 -8.421 3.487 178 HE ARG 24 HE ARG 24 8.196 -7.965 1.509 179 1HH1 ARG 24 1HH1 ARG 24 7.025 -6.136 4.232 180 2HH1 ARG 24 2HH1 ARG 24 8.510 -5.271 4.453 181 1HH2 ARG 24 1HH2 ARG 24 10.154 -6.832 1.790 182 2HH2 ARG 24 2HH2 ARG 24 10.287 -5.665 3.064 183 H ASP 25 H ASP 25 3.058 -8.394 2.501 184 HA ASP 25 HA ASP 25 1.251 -9.734 4.242 185 1HB ASP 25 2HB ASP 25 1.612 -6.808 3.585 186 2HB ASP 25 1HB ASP 25 0.522 -7.402 4.833 187 H LYS 26 H LYS 26 0.953 -8.167 1.144 188 HA LYS 26 HA LYS 26 -0.713 -8.486 -0.422 189 1HB LYS 26 2HB LYS 26 -1.453 -10.396 1.283 190 2HB LYS 26 1HB LYS 26 -2.764 -9.266 1.586 191 1HG LYS 26 2HG LYS 26 -3.543 -10.739 -0.072 192 2HG LYS 26 1HG LYS 26 -3.147 -9.235 -0.910 193 1HD LYS 26 2HD LYS 26 -1.864 -10.426 -2.286 194 2HD LYS 26 1HD LYS 26 -0.789 -10.737 -0.920 195 1HE LYS 26 2HE LYS 26 -3.091 -12.431 -1.869 196 2HE LYS 26 1HE LYS 26 -1.376 -12.839 -1.899 197 1HZ LYS 26 1HZ LYS 26 -2.423 -13.945 -0.069 198 2HZ LYS 26 2HZ LYS 26 -3.074 -12.498 0.513 199 3HZ LYS 26 3HZ LYS 26 -1.402 -12.747 0.550 200 H TYR 27 H TYR 27 -0.981 -6.741 2.522 201 HA TYR 27 HA TYR 27 -3.203 -5.127 1.550 202 1HB TYR 27 2HB TYR 27 -3.112 -3.986 3.697 203 2HB TYR 27 1HB TYR 27 -3.160 -5.719 3.929 204 HD1 TYR 27 1HD TYR 27 -2.434 -4.484 6.250 205 HD2 TYR 27 2HD TYR 27 0.071 -5.122 2.868 206 HE1 TYR 27 1HE TYR 27 -0.451 -4.324 7.693 207 HE2 TYR 27 2HE TYR 27 2.057 -4.961 4.305 208 HH TYR 27 HH TYR 27 2.570 -3.796 6.623 209 H CYS 28 H CYS 28 -2.586 -2.665 2.544 210 HA CYS 28 HA CYS 28 -0.334 -1.857 0.826 211 1HB CYS 28 2HB CYS 28 -2.769 -0.212 1.530 212 2HB CYS 28 1HB CYS 28 -1.501 0.213 0.386 213 H ALA 29 H ALA 29 1.351 -1.048 1.849 214 HA ALA 29 HA ALA 29 0.924 0.223 4.475 215 1HB ALA 29 1HB ALA 29 2.211 -2.008 4.340 216 2HB ALA 29 2HB ALA 29 2.901 -0.691 5.289 217 3HB ALA 29 3HB ALA 29 3.522 -1.035 3.674 218 H TRP 30 H TRP 30 2.021 2.121 4.931 219 HA TRP 30 HA TRP 30 2.338 4.008 3.022 220 1HB TRP 30 2HB TRP 30 3.928 3.735 5.579 221 2HB TRP 30 1HB TRP 30 3.896 5.191 4.589 222 HD1 TRP 30 HD TRP 30 2.608 4.387 7.681 223 HE1 TRP 30 1HE TRP 30 0.266 5.344 8.149 224 HE3 TRP 30 3HE TRP 30 1.174 5.425 2.880 225 HZ2 TRP 30 2HZ TRP 30 -1.902 6.396 6.680 226 HZ3 TRP 30 3HZ TRP 30 -1.048 6.402 2.501 227 HH2 TRP 30 HH TRP 30 -2.555 6.879 4.361 228 H ASP 31 H ASP 31 4.062 4.933 1.873 229 HA ASP 31 HA ASP 31 6.687 4.110 1.793 230 1HB ASP 31 2HB ASP 31 5.030 2.076 0.806 231 2HB ASP 31 1HB ASP 31 5.733 2.832 -0.621 232 H PHE 32 H PHE 32 6.945 6.292 1.363 233 HA PHE 32 HA PHE 32 7.208 7.086 -1.274 234 1HB PHE 32 2HB PHE 32 4.696 7.019 -1.203 235 2HB PHE 32 1HB PHE 32 4.753 8.302 0.001 236 HD1 PHE 32 1HD PHE 32 4.083 10.301 -0.891 237 HD2 PHE 32 2HD PHE 32 6.510 7.714 -3.242 238 HE1 PHE 32 1HE PHE 32 4.129 11.982 -2.687 239 HE2 PHE 32 2HE PHE 32 6.561 9.391 -5.041 240 HZ PHE 32 HZ PHE 32 5.370 11.528 -4.765 241 H THR 33 H THR 33 9.082 8.015 -0.653 242 HA THR 33 HA THR 33 10.324 9.890 -0.116 243 HB THR 33 HB THR 33 8.275 10.932 1.785 244 HG1 THR 33 1HG THR 33 8.018 10.923 -1.032 245 1HG2 THR 33 1HG2 THR 33 9.161 12.855 -0.073 246 2HG2 THR 33 2HG2 THR 33 10.574 11.947 0.471 247 3HG2 THR 33 3HG2 THR 33 9.526 12.739 1.649 248 H PHE 34 H PHE 34 11.054 10.953 2.136 249 HA PHE 34 HA PHE 34 11.597 8.658 3.863 250 1HB PHE 34 2HB PHE 34 13.077 10.994 3.030 251 2HB PHE 34 1HB PHE 34 13.037 10.889 4.786 252 HD1 PHE 34 1HD PHE 34 15.009 10.155 2.141 253 HD2 PHE 34 2HD PHE 34 13.281 8.213 5.510 254 HE1 PHE 34 1HE PHE 34 16.798 8.465 2.079 255 HE2 PHE 34 2HE PHE 34 15.067 6.522 5.456 256 HZ PHE 34 HZ PHE 34 16.829 6.646 3.738 257 H SER 35 H SER 35 9.773 8.469 5.125 258 HA SER 35 HA SER 35 9.590 10.222 7.365 259 1HB SER 35 2HB SER 35 8.340 11.611 5.804 260 2HB SER 35 1HB SER 35 7.306 10.249 5.376 261 HG SER 35 HG SER 35 7.490 11.538 7.897 Start of MODEL 2 1 HA GLU 1 HA GLU 1 -10.768 1.652 -4.987 2 1HB GLU 1 2HB GLU 1 -9.434 3.455 -6.511 3 2HB GLU 1 1HB GLU 1 -10.788 2.493 -7.089 4 1HG GLU 1 2HG GLU 1 -11.217 4.704 -7.760 5 2HG GLU 1 1HG GLU 1 -12.286 4.393 -6.393 6 1HT GLU 1 1HT GLU 1 -12.214 2.815 -3.552 7 2HT GLU 1 2HT GLU 1 -12.750 2.988 -5.173 8 3HT GLU 1 3HT GLU 1 -11.942 4.284 -4.391 9 H CYS 2 H CYS 2 -8.241 2.310 -5.270 10 HA CYS 2 HA CYS 2 -6.307 2.763 -4.163 11 1HB CYS 2 2HB CYS 2 -6.088 4.981 -3.955 12 2HB CYS 2 1HB CYS 2 -7.813 5.143 -4.168 13 H ARG 3 H ARG 3 -6.049 1.065 -2.959 14 HA ARG 3 HA ARG 3 -7.477 0.588 -0.554 15 1HB ARG 3 2HB ARG 3 -5.206 -0.717 -1.986 16 2HB ARG 3 1HB ARG 3 -5.471 -1.116 -0.294 17 1HG ARG 3 2HG ARG 3 -7.014 -1.866 -2.676 18 2HG ARG 3 1HG ARG 3 -6.780 -2.724 -1.153 19 1HD ARG 3 2HD ARG 3 -8.389 -1.206 -0.072 20 2HD ARG 3 1HD ARG 3 -8.637 -0.390 -1.616 21 HE ARG 3 HE ARG 3 -9.132 -3.151 -1.917 22 1HH1 ARG 3 1HH1 ARG 3 -10.501 -0.299 -0.462 23 2HH1 ARG 3 2HH1 ARG 3 -12.134 -0.865 -0.581 24 1HH2 ARG 3 1HH2 ARG 3 -11.279 -3.908 -2.079 25 2HH2 ARG 3 2HH2 ARG 3 -12.577 -2.918 -1.499 26 H TYR 4 H TYR 4 -7.285 2.094 0.860 27 HA TYR 4 HA TYR 4 -4.933 3.523 1.466 28 1HB TYR 4 2HB TYR 4 -6.685 4.745 2.229 29 2HB TYR 4 1HB TYR 4 -7.687 3.326 2.501 30 HD1 TYR 4 1HD TYR 4 -5.920 5.955 4.038 31 HD2 TYR 4 2HD TYR 4 -7.051 1.894 4.608 32 HE1 TYR 4 1HE TYR 4 -5.589 6.209 6.460 33 HE2 TYR 4 2HE TYR 4 -6.723 2.137 7.033 34 HH TYR 4 HH TYR 4 -5.012 4.282 8.453 35 H LEU 5 H LEU 5 -4.221 3.504 3.971 36 HA LEU 5 HA LEU 5 -2.641 1.368 4.471 37 1HB LEU 5 2HB LEU 5 -3.594 3.590 5.970 38 2HB LEU 5 1HB LEU 5 -3.649 2.176 7.006 39 HG LEU 5 HG LEU 5 -1.232 3.300 5.594 40 1HD1 LEU 5 1HD1 LEU 5 -0.442 3.301 8.046 41 2HD1 LEU 5 2HD1 LEU 5 -2.158 3.180 8.438 42 3HD1 LEU 5 3HD1 LEU 5 -1.559 4.559 7.515 43 1HD2 LEU 5 1HD2 LEU 5 -0.993 1.025 7.474 44 2HD2 LEU 5 2HD2 LEU 5 -0.019 1.438 6.063 45 3HD2 LEU 5 3HD2 LEU 5 -1.594 0.672 5.854 46 H PHE 6 H PHE 6 -3.099 -0.712 4.471 47 HA PHE 6 HA PHE 6 -3.870 -2.686 5.375 48 1HB PHE 6 2HB PHE 6 -6.100 -1.176 6.725 49 2HB PHE 6 1HB PHE 6 -5.443 -2.754 7.145 50 HD1 PHE 6 1HD PHE 6 -5.805 -0.002 8.728 51 HD2 PHE 6 2HD PHE 6 -2.524 -2.093 7.003 52 HE1 PHE 6 1HE PHE 6 -4.283 1.067 10.338 53 HE2 PHE 6 2HE PHE 6 -0.996 -1.028 8.612 54 HZ PHE 6 HZ PHE 6 -1.875 0.553 10.283 55 H GLY 7 H GLY 7 -4.552 -1.643 2.838 56 1HA GLY 7 2HA GLY 7 -7.320 -2.625 2.517 57 2HA GLY 7 1HA GLY 7 -6.558 -1.460 1.446 58 H GLY 8 H GLY 8 -7.686 -4.410 1.358 59 1HA GLY 8 2HA GLY 8 -5.672 -6.147 0.551 60 2HA GLY 8 1HA GLY 8 -7.335 -6.219 -0.015 61 H CYS 9 H CYS 9 -4.164 -5.838 -0.952 62 HA CYS 9 HA CYS 9 -5.012 -4.758 -3.555 63 1HB CYS 9 2HB CYS 9 -2.908 -3.520 -3.726 64 2HB CYS 9 1HB CYS 9 -3.836 -2.995 -2.325 65 H LYS 10 H LYS 10 -4.116 -5.667 -5.346 66 HA LYS 10 HA LYS 10 -2.564 -8.113 -4.919 67 1HB LYS 10 2HB LYS 10 -4.161 -7.100 -7.268 68 2HB LYS 10 1HB LYS 10 -3.130 -8.521 -7.357 69 1HG LYS 10 2HG LYS 10 -4.776 -8.864 -5.101 70 2HG LYS 10 1HG LYS 10 -5.814 -8.294 -6.410 71 1HD LYS 10 2HD LYS 10 -5.872 -10.457 -7.015 72 2HD LYS 10 1HD LYS 10 -4.279 -10.131 -7.701 73 1HE LYS 10 2HE LYS 10 -3.168 -11.142 -5.941 74 2HE LYS 10 1HE LYS 10 -4.526 -10.939 -4.835 75 1HZ LYS 10 1HZ LYS 10 -5.363 -12.555 -6.956 76 2HZ LYS 10 2HZ LYS 10 -5.177 -12.980 -5.329 77 3HZ LYS 10 3HZ LYS 10 -3.884 -13.165 -6.405 78 H THR 11 H THR 11 -2.315 -4.921 -6.016 79 HA THR 11 HA THR 11 0.446 -5.375 -6.850 80 HB THR 11 HB THR 11 -0.537 -3.433 -8.624 81 HG1 THR 11 1HG THR 11 -2.187 -5.737 -8.624 82 1HG2 THR 11 1HG2 THR 11 -0.191 -6.275 -9.444 83 2HG2 THR 11 2HG2 THR 11 1.193 -5.306 -8.932 84 3HG2 THR 11 3HG2 THR 11 0.219 -4.795 -10.312 85 H THR 12 H THR 12 1.664 -3.343 -7.038 86 HA THR 12 HA THR 12 1.255 -1.694 -4.793 87 HB THR 12 HB THR 12 3.054 -1.513 -7.192 88 HG1 THR 12 1HG THR 12 3.532 -2.983 -5.471 89 1HG2 THR 12 1HG2 THR 12 4.176 0.375 -6.271 90 2HG2 THR 12 2HG2 THR 12 3.088 0.404 -4.884 91 3HG2 THR 12 3HG2 THR 12 2.476 0.785 -6.493 92 H SER 13 H SER 13 0.341 -1.476 -8.134 93 HA SER 13 HA SER 13 -0.498 1.257 -7.974 94 1HB SER 13 2HB SER 13 -0.654 1.161 -10.228 95 2HB SER 13 1HB SER 13 0.205 -0.369 -10.051 96 HG SER 13 HG SER 13 -1.658 -0.665 -11.288 97 H ASP 14 H ASP 14 -1.729 -1.398 -6.604 98 HA ASP 14 HA ASP 14 -4.534 -0.832 -7.205 99 1HB ASP 14 2HB ASP 14 -3.158 -3.084 -5.744 100 2HB ASP 14 1HB ASP 14 -4.906 -2.876 -5.718 101 H CYS 15 H CYS 15 -2.394 0.554 -5.283 102 HA CYS 15 HA CYS 15 -4.305 0.860 -3.061 103 1HB CYS 15 2HB CYS 15 -1.305 1.167 -2.868 104 2HB CYS 15 1HB CYS 15 -2.461 1.197 -1.540 105 H CYS 16 H CYS 16 -3.905 2.898 -1.821 106 HA CYS 16 HA CYS 16 -4.480 5.091 -3.394 107 1HB CYS 16 2HB CYS 16 -3.428 5.108 -0.581 108 2HB CYS 16 1HB CYS 16 -4.355 6.386 -1.367 109 H LYS 17 H LYS 17 -2.749 6.978 -1.917 110 HA LYS 17 HA LYS 17 -0.702 7.075 -3.972 111 1HB LYS 17 2HB LYS 17 -1.230 9.172 -1.881 112 2HB LYS 17 1HB LYS 17 -0.448 9.368 -3.442 113 1HG LYS 17 2HG LYS 17 -2.382 9.836 -4.408 114 2HG LYS 17 1HG LYS 17 -3.095 8.338 -3.809 115 1HD LYS 17 2HD LYS 17 -3.349 9.588 -1.579 116 2HD LYS 17 1HD LYS 17 -3.056 11.050 -2.523 117 1HE LYS 17 2HE LYS 17 -5.072 9.187 -3.605 118 2HE LYS 17 1HE LYS 17 -5.500 9.998 -2.100 119 1HZ LYS 17 1HZ LYS 17 -4.364 11.769 -4.053 120 2HZ LYS 17 2HZ LYS 17 -5.787 11.925 -3.152 121 3HZ LYS 17 3HZ LYS 17 -5.791 11.033 -4.587 122 H HIS 18 H HIS 18 -0.597 8.012 -0.567 123 HA HIS 18 HA HIS 18 2.150 7.704 -0.347 124 1HB HIS 18 2HB HIS 18 0.008 7.770 1.761 125 2HB HIS 18 1HB HIS 18 1.730 7.804 2.132 126 HD1 HIS 18 1HD HIS 18 1.919 9.735 -0.654 127 HD2 HIS 18 2HD HIS 18 0.057 10.399 3.001 128 HE1 HIS 18 1HE HIS 18 1.678 12.232 -0.466 129 HE2 HIS 18 2HE HIS 18 0.631 12.614 1.794 130 H LEU 19 H LEU 19 -0.177 5.334 -0.535 131 HA LEU 19 HA LEU 19 1.240 3.427 1.138 132 1HB LEU 19 2HB LEU 19 -1.336 3.345 -0.394 133 2HB LEU 19 1HB LEU 19 -0.635 1.894 0.302 134 HG LEU 19 HG LEU 19 -0.699 3.948 2.290 135 1HD1 LEU 19 1HD1 LEU 19 -3.142 3.655 0.625 136 2HD1 LEU 19 2HD1 LEU 19 -2.492 5.076 1.445 137 3HD1 LEU 19 3HD1 LEU 19 -3.321 3.826 2.371 138 1HD2 LEU 19 1HD2 LEU 19 -2.576 1.710 2.480 139 2HD2 LEU 19 2HD2 LEU 19 -1.291 2.220 3.575 140 3HD2 LEU 19 3HD2 LEU 19 -0.905 1.252 2.154 141 H GLY 20 H GLY 20 1.575 1.217 0.303 142 1HA GLY 20 2HA GLY 20 2.155 0.968 -2.534 143 2HA GLY 20 1HA GLY 20 3.551 0.917 -1.464 144 H CYS 21 H CYS 21 1.574 -1.014 -3.131 145 HA CYS 21 HA CYS 21 0.857 -2.988 -1.243 146 1HB CYS 21 2HB CYS 21 -0.031 -2.579 -3.664 147 2HB CYS 21 1HB CYS 21 1.292 -3.642 -4.133 148 H LYS 22 H LYS 22 1.848 -4.836 -0.600 149 HA LYS 22 HA LYS 22 4.599 -5.276 -1.558 150 1HB LYS 22 2HB LYS 22 3.583 -4.857 1.125 151 2HB LYS 22 1HB LYS 22 4.410 -6.403 0.997 152 1HG LYS 22 2HG LYS 22 5.842 -4.492 1.716 153 2HG LYS 22 1HG LYS 22 6.426 -5.362 0.296 154 1HD LYS 22 2HD LYS 22 4.739 -3.323 -0.657 155 2HD LYS 22 1HD LYS 22 5.761 -2.586 0.580 156 1HE LYS 22 2HE LYS 22 6.612 -4.045 -1.909 157 2HE LYS 22 1HE LYS 22 6.920 -2.363 -1.475 158 1HZ LYS 22 1HZ LYS 22 7.931 -4.164 0.491 159 2HZ LYS 22 2HZ LYS 22 8.737 -2.947 -0.364 160 3HZ LYS 22 3HZ LYS 22 8.586 -4.492 -1.034 161 H PHE 23 H PHE 23 4.709 -7.105 -2.684 162 HA PHE 23 HA PHE 23 2.731 -9.067 -2.750 163 1HB PHE 23 2HB PHE 23 4.770 -10.459 -3.734 164 2HB PHE 23 1HB PHE 23 4.002 -9.167 -4.648 165 HD1 PHE 23 1HD PHE 23 6.709 -9.552 -2.101 166 HD2 PHE 23 2HD PHE 23 5.399 -7.691 -5.697 167 HE1 PHE 23 1HE PHE 23 8.879 -8.411 -2.296 168 HE2 PHE 23 2HE PHE 23 7.568 -6.545 -5.899 169 HZ PHE 23 HZ PHE 23 9.311 -6.904 -4.196 170 H ARG 24 H ARG 24 2.507 -9.291 -0.354 171 HA ARG 24 HA ARG 24 3.217 -11.769 0.553 172 1HB ARG 24 2HB ARG 24 5.416 -9.885 0.799 173 2HB ARG 24 1HB ARG 24 4.949 -10.546 2.359 174 1HG ARG 24 2HG ARG 24 5.243 -12.470 0.136 175 2HG ARG 24 1HG ARG 24 6.718 -11.721 0.749 176 1HD ARG 24 2HD ARG 24 6.020 -12.405 3.045 177 2HD ARG 24 1HD ARG 24 4.683 -13.294 2.318 178 HE ARG 24 HE ARG 24 7.420 -14.100 2.434 179 1HH1 ARG 24 1HH1 ARG 24 4.491 -14.334 0.564 180 2HH1 ARG 24 2HH1 ARG 24 4.921 -15.846 -0.161 181 1HH2 ARG 24 1HH2 ARG 24 7.995 -16.094 1.487 182 2HH2 ARG 24 2HH2 ARG 24 6.914 -16.847 0.364 183 H ASP 25 H ASP 25 3.048 -8.412 1.697 184 HA ASP 25 HA ASP 25 1.885 -9.033 4.204 185 1HB ASP 25 2HB ASP 25 2.029 -6.506 2.567 186 2HB ASP 25 1HB ASP 25 1.203 -6.563 4.121 187 H LYS 26 H LYS 26 0.571 -8.392 1.019 188 HA LYS 26 HA LYS 26 -1.484 -9.052 0.191 189 1HB LYS 26 2HB LYS 26 -1.532 -10.422 2.492 190 2HB LYS 26 1HB LYS 26 -2.771 -9.232 2.863 191 1HG LYS 26 2HG LYS 26 -3.807 -9.905 0.614 192 2HG LYS 26 1HG LYS 26 -2.751 -11.315 0.715 193 1HD LYS 26 2HD LYS 26 -3.769 -12.045 2.730 194 2HD LYS 26 1HD LYS 26 -4.625 -10.514 2.930 195 1HE LYS 26 2HE LYS 26 -6.357 -11.350 1.824 196 2HE LYS 26 1HE LYS 26 -5.338 -11.559 0.400 197 1HZ LYS 26 1HZ LYS 26 -5.928 -13.523 2.531 198 2HZ LYS 26 2HZ LYS 26 -4.616 -13.717 1.483 199 3HZ LYS 26 3HZ LYS 26 -6.190 -13.669 0.867 200 H TYR 27 H TYR 27 -0.971 -6.663 2.621 201 HA TYR 27 HA TYR 27 -3.290 -5.143 1.632 202 1HB TYR 27 2HB TYR 27 -3.039 -3.836 3.785 203 2HB TYR 27 1HB TYR 27 -3.566 -5.503 3.966 204 HD1 TYR 27 1HD TYR 27 -2.607 -6.672 5.707 205 HD2 TYR 27 2HD TYR 27 -0.333 -3.631 3.792 206 HE1 TYR 27 1HE TYR 27 -0.748 -7.090 7.263 207 HE2 TYR 27 2HE TYR 27 1.531 -4.039 5.342 208 HH TYR 27 HH TYR 27 1.837 -4.985 7.645 209 H CYS 28 H CYS 28 -2.725 -2.654 2.387 210 HA CYS 28 HA CYS 28 -0.323 -2.005 0.816 211 1HB CYS 28 2HB CYS 28 -2.648 -0.178 1.442 212 2HB CYS 28 1HB CYS 28 -1.365 0.091 0.266 213 H ALA 29 H ALA 29 1.341 -1.005 1.757 214 HA ALA 29 HA ALA 29 0.901 0.219 4.403 215 1HB ALA 29 1HB ALA 29 3.165 -0.549 5.032 216 2HB ALA 29 2HB ALA 29 3.260 -1.431 3.509 217 3HB ALA 29 3HB ALA 29 2.052 -1.880 4.713 218 H TRP 30 H TRP 30 2.009 2.105 4.858 219 HA TRP 30 HA TRP 30 2.438 3.954 2.919 220 1HB TRP 30 2HB TRP 30 3.929 3.724 5.540 221 2HB TRP 30 1HB TRP 30 3.884 5.168 4.536 222 HD1 TRP 30 HD TRP 30 2.533 4.332 7.593 223 HE1 TRP 30 1HE TRP 30 0.160 5.238 8.001 224 HE3 TRP 30 3HE TRP 30 1.213 5.341 2.762 225 HZ2 TRP 30 2HZ TRP 30 -1.988 6.246 6.474 226 HZ3 TRP 30 3HZ TRP 30 -1.019 6.272 2.320 227 HH2 TRP 30 HH TRP 30 -2.587 6.715 4.139 228 H ASP 31 H ASP 31 4.210 4.790 1.804 229 HA ASP 31 HA ASP 31 6.831 3.916 1.917 230 1HB ASP 31 2HB ASP 31 5.933 1.720 1.281 231 2HB ASP 31 1HB ASP 31 5.232 2.433 -0.170 232 H PHE 32 H PHE 32 6.551 6.258 1.633 233 HA PHE 32 HA PHE 32 7.487 7.119 -0.822 234 1HB PHE 32 2HB PHE 32 5.141 6.582 -1.551 235 2HB PHE 32 1HB PHE 32 4.573 7.841 -0.460 236 HD1 PHE 32 1HD PHE 32 7.209 7.492 -3.088 237 HD2 PHE 32 2HD PHE 32 4.030 9.814 -1.471 238 HE1 PHE 32 1HE PHE 32 7.535 9.168 -4.862 239 HE2 PHE 32 2HE PHE 32 4.348 11.492 -3.242 240 HZ PHE 32 HZ PHE 32 6.101 11.170 -4.941 241 H THR 33 H THR 33 8.318 9.141 -0.651 242 HA THR 33 HA THR 33 9.063 11.022 0.386 243 HB THR 33 HB THR 33 7.326 12.485 1.386 244 HG1 THR 33 1HG THR 33 5.375 10.614 0.679 245 1HG2 THR 33 1HG2 THR 33 7.095 11.322 -1.300 246 2HG2 THR 33 2HG2 THR 33 7.219 13.005 -0.790 247 3HG2 THR 33 3HG2 THR 33 5.668 12.170 -0.705 248 H PHE 34 H PHE 34 6.685 10.586 2.867 249 HA PHE 34 HA PHE 34 8.117 11.041 5.071 250 1HB PHE 34 2HB PHE 34 5.790 10.536 5.285 251 2HB PHE 34 1HB PHE 34 6.026 8.895 4.693 252 HD1 PHE 34 1HD PHE 34 5.909 11.019 7.562 253 HD2 PHE 34 2HD PHE 34 7.379 7.293 6.122 254 HE1 PHE 34 1HE PHE 34 6.171 10.231 9.878 255 HE2 PHE 34 2HE PHE 34 7.642 6.499 8.437 256 HZ PHE 34 HZ PHE 34 7.037 7.969 10.318 257 H SER 35 H SER 35 8.249 8.067 3.204 258 HA SER 35 HA SER 35 9.733 6.341 3.186 259 1HB SER 35 2HB SER 35 11.462 8.071 3.149 260 2HB SER 35 1HB SER 35 11.396 8.197 4.906 261 HG SER 35 HG SER 35 13.102 6.817 3.939 Start of MODEL 3 1 HA GLU 1 HA GLU 1 -10.383 1.514 -5.455 2 1HB GLU 1 2HB GLU 1 -9.333 3.299 -6.839 3 2HB GLU 1 1HB GLU 1 -11.016 2.998 -7.251 4 1HG GLU 1 2HG GLU 1 -11.065 5.012 -5.314 5 2HG GLU 1 1HG GLU 1 -9.748 5.428 -6.408 6 1HT GLU 1 1HT GLU 1 -12.430 1.883 -4.885 7 2HT GLU 1 2HT GLU 1 -12.311 3.564 -5.206 8 3HT GLU 1 3HT GLU 1 -11.827 2.943 -3.681 9 H CYS 2 H CYS 2 -7.994 2.568 -5.462 10 HA CYS 2 HA CYS 2 -6.193 2.878 -4.090 11 1HB CYS 2 2HB CYS 2 -6.098 5.112 -3.952 12 2HB CYS 2 1HB CYS 2 -7.833 5.217 -4.125 13 H ARG 3 H ARG 3 -6.033 1.162 -2.882 14 HA ARG 3 HA ARG 3 -7.658 0.713 -0.581 15 1HB ARG 3 2HB ARG 3 -5.544 -0.728 -2.056 16 2HB ARG 3 1HB ARG 3 -5.600 -1.055 -0.331 17 1HG ARG 3 2HG ARG 3 -7.250 -2.096 -2.422 18 2HG ARG 3 1HG ARG 3 -7.195 -2.549 -0.721 19 1HD ARG 3 2HD ARG 3 -8.816 -0.880 -0.152 20 2HD ARG 3 1HD ARG 3 -8.742 -0.185 -1.771 21 HE ARG 3 HE ARG 3 -10.076 -1.910 -2.565 22 1HH1 ARG 3 1HH1 ARG 3 -9.209 -2.462 0.764 23 2HH1 ARG 3 2HH1 ARG 3 -10.369 -3.729 0.989 24 1HH2 ARG 3 1HH2 ARG 3 -11.600 -3.578 -2.278 25 2HH2 ARG 3 2HH2 ARG 3 -11.728 -4.363 -0.739 26 H TYR 4 H TYR 4 -7.424 2.362 0.717 27 HA TYR 4 HA TYR 4 -5.088 3.653 1.489 28 1HB TYR 4 2HB TYR 4 -7.102 4.690 2.131 29 2HB TYR 4 1HB TYR 4 -7.744 3.223 2.859 30 HD1 TYR 4 1HD TYR 4 -6.983 2.507 5.090 31 HD2 TYR 4 2HD TYR 4 -5.675 6.173 3.369 32 HE1 TYR 4 1HE TYR 4 -6.216 3.264 7.299 33 HE2 TYR 4 2HE TYR 4 -4.905 6.940 5.575 34 HH TYR 4 HH TYR 4 -5.750 5.372 8.465 35 H LEU 5 H LEU 5 -4.209 3.517 3.861 36 HA LEU 5 HA LEU 5 -2.700 1.349 4.278 37 1HB LEU 5 2HB LEU 5 -2.882 3.504 5.667 38 2HB LEU 5 1HB LEU 5 -4.050 2.625 6.637 39 HG LEU 5 HG LEU 5 -1.694 1.022 6.335 40 1HD1 LEU 5 1HD1 LEU 5 -1.176 3.740 7.523 41 2HD1 LEU 5 2HD1 LEU 5 -0.617 3.230 5.931 42 3HD1 LEU 5 3HD1 LEU 5 -0.040 2.398 7.374 43 1HD2 LEU 5 1HD2 LEU 5 -3.384 2.161 8.477 44 2HD2 LEU 5 2HD2 LEU 5 -1.748 1.677 8.926 45 3HD2 LEU 5 3HD2 LEU 5 -2.850 0.500 8.210 46 H PHE 6 H PHE 6 -3.033 -0.744 4.489 47 HA PHE 6 HA PHE 6 -3.838 -2.714 5.353 48 1HB PHE 6 2HB PHE 6 -4.597 -1.198 7.316 49 2HB PHE 6 1HB PHE 6 -6.187 -1.287 6.567 50 HD1 PHE 6 1HD PHE 6 -3.441 -3.708 7.317 51 HD2 PHE 6 2HD PHE 6 -7.588 -2.786 7.568 52 HE1 PHE 6 1HE PHE 6 -3.848 -5.858 8.445 53 HE2 PHE 6 2HE PHE 6 -8.002 -4.933 8.696 54 HZ PHE 6 HZ PHE 6 -6.130 -6.471 9.136 55 H GLY 7 H GLY 7 -4.691 -1.295 2.838 56 1HA GLY 7 2HA GLY 7 -7.329 -2.531 2.442 57 2HA GLY 7 1HA GLY 7 -6.606 -1.310 1.406 58 H GLY 8 H GLY 8 -7.430 -4.482 1.533 59 1HA GLY 8 2HA GLY 8 -5.369 -6.008 0.588 60 2HA GLY 8 1HA GLY 8 -7.024 -6.181 0.022 61 H CYS 9 H CYS 9 -4.082 -6.051 -1.159 62 HA CYS 9 HA CYS 9 -4.968 -4.694 -3.597 63 1HB CYS 9 2HB CYS 9 -2.723 -3.608 -3.814 64 2HB CYS 9 1HB CYS 9 -3.702 -2.980 -2.494 65 H LYS 10 H LYS 10 -4.265 -5.593 -5.468 66 HA LYS 10 HA LYS 10 -2.898 -8.146 -5.256 67 1HB LYS 10 2HB LYS 10 -4.827 -6.996 -7.028 68 2HB LYS 10 1HB LYS 10 -3.424 -7.489 -7.967 69 1HG LYS 10 2HG LYS 10 -3.811 -9.651 -6.345 70 2HG LYS 10 1HG LYS 10 -5.462 -9.105 -6.646 71 1HD LYS 10 2HD LYS 10 -5.129 -9.229 -9.023 72 2HD LYS 10 1HD LYS 10 -3.414 -9.584 -8.806 73 1HE LYS 10 2HE LYS 10 -4.302 -11.612 -7.426 74 2HE LYS 10 1HE LYS 10 -5.790 -11.330 -8.326 75 1HZ LYS 10 1HZ LYS 10 -4.204 -12.962 -9.334 76 2HZ LYS 10 2HZ LYS 10 -3.155 -11.670 -9.638 77 3HZ LYS 10 3HZ LYS 10 -4.686 -11.704 -10.360 78 H THR 11 H THR 11 -2.273 -4.915 -6.085 79 HA THR 11 HA THR 11 0.515 -5.520 -6.603 80 HB THR 11 HB THR 11 0.425 -5.198 -8.813 81 HG1 THR 11 1HG THR 11 0.932 -3.170 -8.913 82 1HG2 THR 11 1HG2 THR 11 -2.061 -5.755 -8.598 83 2HG2 THR 11 2HG2 THR 11 -1.514 -4.927 -10.058 84 3HG2 THR 11 3HG2 THR 11 -2.318 -4.018 -8.777 85 H THR 12 H THR 12 1.580 -3.226 -7.132 86 HA THR 12 HA THR 12 1.188 -1.695 -4.747 87 HB THR 12 HB THR 12 2.949 -1.389 -7.165 88 HG1 THR 12 1HG THR 12 4.540 -1.575 -5.451 89 1HG2 THR 12 1HG2 THR 12 2.388 0.869 -6.543 90 2HG2 THR 12 2HG2 THR 12 4.044 0.496 -6.063 91 3HG2 THR 12 3HG2 THR 12 2.759 0.521 -4.855 92 H SER 13 H SER 13 0.193 -1.428 -8.078 93 HA SER 13 HA SER 13 -0.674 1.277 -7.890 94 1HB SER 13 2HB SER 13 0.009 0.275 -10.043 95 2HB SER 13 1HB SER 13 -1.373 -0.817 -9.956 96 HG SER 13 HG SER 13 -2.535 0.719 -10.766 97 H ASP 14 H ASP 14 -1.896 -1.620 -6.768 98 HA ASP 14 HA ASP 14 -4.697 -0.989 -7.057 99 1HB ASP 14 2HB ASP 14 -3.121 -3.227 -5.860 100 2HB ASP 14 1HB ASP 14 -4.787 -3.000 -5.336 101 H CYS 15 H CYS 15 -2.516 0.530 -5.327 102 HA CYS 15 HA CYS 15 -4.307 0.856 -3.015 103 1HB CYS 15 2HB CYS 15 -1.304 1.140 -2.921 104 2HB CYS 15 1HB CYS 15 -2.423 1.157 -1.562 105 H CYS 16 H CYS 16 -3.932 2.892 -1.847 106 HA CYS 16 HA CYS 16 -4.450 5.081 -3.442 107 1HB CYS 16 2HB CYS 16 -3.396 5.134 -0.634 108 2HB CYS 16 1HB CYS 16 -4.334 6.388 -1.434 109 H LYS 17 H LYS 17 -2.696 6.943 -1.961 110 HA LYS 17 HA LYS 17 -0.609 6.973 -3.984 111 1HB LYS 17 2HB LYS 17 -1.423 9.063 -1.966 112 2HB LYS 17 1HB LYS 17 -0.207 9.284 -3.216 113 1HG LYS 17 2HG LYS 17 -2.340 8.449 -4.680 114 2HG LYS 17 1HG LYS 17 -3.126 9.359 -3.389 115 1HD LYS 17 2HD LYS 17 -1.396 11.188 -3.903 116 2HD LYS 17 1HD LYS 17 -1.112 10.306 -5.404 117 1HE LYS 17 2HE LYS 17 -3.849 11.194 -4.524 118 2HE LYS 17 1HE LYS 17 -2.791 12.200 -5.512 119 1HZ LYS 17 1HZ LYS 17 -2.812 9.754 -6.754 120 2HZ LYS 17 2HZ LYS 17 -3.636 11.145 -7.255 121 3HZ LYS 17 3HZ LYS 17 -4.421 9.999 -6.288 122 H HIS 18 H HIS 18 -0.550 7.971 -0.598 123 HA HIS 18 HA HIS 18 2.180 7.652 -0.311 124 1HB HIS 18 2HB HIS 18 -0.068 7.873 1.642 125 2HB HIS 18 1HB HIS 18 1.579 7.615 2.209 126 HD1 HIS 18 1HD HIS 18 1.774 9.931 3.292 127 HD2 HIS 18 2HD HIS 18 0.898 10.056 -0.768 128 HE1 HIS 18 1HE HIS 18 2.096 12.330 2.606 129 HE2 HIS 18 2HE HIS 18 1.652 12.362 0.127 130 H LEU 19 H LEU 19 -0.151 5.267 -0.485 131 HA LEU 19 HA LEU 19 1.262 3.383 1.212 132 1HB LEU 19 2HB LEU 19 -1.280 3.277 -0.364 133 2HB LEU 19 1HB LEU 19 -0.553 1.806 0.254 134 HG LEU 19 HG LEU 19 -0.856 3.952 2.243 135 1HD1 LEU 19 1HD1 LEU 19 -2.918 3.987 0.675 136 2HD1 LEU 19 2HD1 LEU 19 -3.151 3.966 2.418 137 3HD1 LEU 19 3HD1 LEU 19 -3.336 2.482 1.484 138 1HD2 LEU 19 1HD2 LEU 19 -1.116 2.207 3.691 139 2HD2 LEU 19 2HD2 LEU 19 -0.187 1.409 2.421 140 3HD2 LEU 19 3HD2 LEU 19 -1.937 1.195 2.503 141 H GLY 20 H GLY 20 1.597 1.150 0.365 142 1HA GLY 20 2HA GLY 20 2.292 0.914 -2.439 143 2HA GLY 20 1HA GLY 20 3.655 0.888 -1.327 144 H CYS 21 H CYS 21 1.663 -1.057 -3.015 145 HA CYS 21 HA CYS 21 0.972 -3.030 -1.125 146 1HB CYS 21 2HB CYS 21 0.089 -2.613 -3.535 147 2HB CYS 21 1HB CYS 21 1.415 -3.663 -4.019 148 H LYS 22 H LYS 22 2.539 -3.904 0.093 149 HA LYS 22 HA LYS 22 5.109 -4.596 -1.044 150 1HB LYS 22 2HB LYS 22 4.086 -5.166 1.738 151 2HB LYS 22 1HB LYS 22 5.760 -5.163 1.201 152 1HG LYS 22 2HG LYS 22 4.238 -2.656 0.835 153 2HG LYS 22 1HG LYS 22 4.646 -3.118 2.489 154 1HD LYS 22 2HD LYS 22 6.656 -2.991 0.249 155 2HD LYS 22 1HD LYS 22 6.328 -1.643 1.341 156 1HE LYS 22 2HE LYS 22 7.004 -2.975 3.245 157 2HE LYS 22 1HE LYS 22 7.226 -4.387 2.212 158 1HZ LYS 22 1HZ LYS 22 9.318 -3.733 1.979 159 2HZ LYS 22 2HZ LYS 22 9.024 -2.252 2.743 160 3HZ LYS 22 3HZ LYS 22 8.762 -2.410 1.079 161 H PHE 23 H PHE 23 5.401 -6.436 -2.098 162 HA PHE 23 HA PHE 23 3.603 -8.548 -2.216 163 1HB PHE 23 2HB PHE 23 6.522 -8.318 -2.900 164 2HB PHE 23 1HB PHE 23 5.658 -9.840 -3.099 165 HD1 PHE 23 1HD PHE 23 4.827 -10.281 -5.184 166 HD2 PHE 23 2HD PHE 23 5.186 -6.228 -3.935 167 HE1 PHE 23 1HE PHE 23 4.025 -9.532 -7.388 168 HE2 PHE 23 2HE PHE 23 4.382 -5.474 -6.133 169 HZ PHE 23 HZ PHE 23 3.801 -7.127 -7.864 170 H ARG 24 H ARG 24 3.125 -8.867 0.085 171 HA ARG 24 HA ARG 24 4.138 -11.198 1.128 172 1HB ARG 24 2HB ARG 24 5.932 -9.001 1.568 173 2HB ARG 24 1HB ARG 24 5.304 -9.558 3.113 174 1HG ARG 24 2HG ARG 24 5.966 -11.872 1.686 175 2HG ARG 24 1HG ARG 24 7.294 -10.739 1.420 176 1HD ARG 24 2HD ARG 24 6.183 -11.220 4.164 177 2HD ARG 24 1HD ARG 24 7.396 -12.296 3.470 178 HE ARG 24 HE ARG 24 7.782 -9.556 4.347 179 1HH1 ARG 24 1HH1 ARG 24 9.055 -12.289 2.602 180 2HH1 ARG 24 2HH1 ARG 24 10.698 -11.750 2.698 181 1HH2 ARG 24 1HH2 ARG 24 9.942 -8.835 4.478 182 2HH2 ARG 24 2HH2 ARG 24 11.203 -9.786 3.766 183 H ASP 25 H ASP 25 3.312 -7.953 2.360 184 HA ASP 25 HA ASP 25 1.835 -8.932 4.577 185 1HB ASP 25 2HB ASP 25 2.297 -6.289 3.308 186 2HB ASP 25 1HB ASP 25 0.861 -6.445 4.316 187 H LYS 26 H LYS 26 1.002 -8.179 1.272 188 HA LYS 26 HA LYS 26 -0.843 -8.935 0.096 189 1HB LYS 26 2HB LYS 26 -2.395 -9.308 2.639 190 2HB LYS 26 1HB LYS 26 -2.597 -10.119 1.093 191 1HG LYS 26 2HG LYS 26 -0.012 -10.760 1.948 192 2HG LYS 26 1HG LYS 26 -1.045 -10.900 3.373 193 1HD LYS 26 2HD LYS 26 -2.351 -12.038 1.078 194 2HD LYS 26 1HD LYS 26 -0.750 -12.749 1.284 195 1HE LYS 26 2HE LYS 26 -2.136 -14.111 2.573 196 2HE LYS 26 1HE LYS 26 -1.404 -13.021 3.749 197 1HZ LYS 26 1HZ LYS 26 -4.032 -12.443 2.527 198 2HZ LYS 26 2HZ LYS 26 -3.368 -11.801 3.941 199 3HZ LYS 26 3HZ LYS 26 -3.892 -13.409 3.908 200 H TYR 27 H TYR 27 -0.847 -6.606 2.621 201 HA TYR 27 HA TYR 27 -3.107 -5.187 1.379 202 1HB TYR 27 2HB TYR 27 -3.187 -3.880 3.508 203 2HB TYR 27 1HB TYR 27 -3.518 -5.589 3.716 204 HD1 TYR 27 1HD TYR 27 -2.591 -6.555 5.583 205 HD2 TYR 27 2HD TYR 27 -0.519 -3.353 3.699 206 HE1 TYR 27 1HE TYR 27 -0.842 -6.680 7.306 207 HE2 TYR 27 2HE TYR 27 1.238 -3.471 5.416 208 HH TYR 27 HH TYR 27 1.696 -6.018 7.404 209 H CYS 28 H CYS 28 -2.649 -2.666 2.275 210 HA CYS 28 HA CYS 28 -0.225 -1.937 0.782 211 1HB CYS 28 2HB CYS 28 -2.580 -0.154 1.376 212 2HB CYS 28 1HB CYS 28 -1.312 0.097 0.179 213 H ALA 29 H ALA 29 1.371 -0.841 1.745 214 HA ALA 29 HA ALA 29 0.847 0.340 4.394 215 1HB ALA 29 1HB ALA 29 3.563 -0.517 4.222 216 2HB ALA 29 2HB ALA 29 2.506 -1.872 3.823 217 3HB ALA 29 3HB ALA 29 2.310 -1.022 5.357 218 H TRP 30 H TRP 30 1.938 2.237 4.886 219 HA TRP 30 HA TRP 30 2.351 4.130 3.017 220 1HB TRP 30 2HB TRP 30 4.012 3.808 5.527 221 2HB TRP 30 1HB TRP 30 3.841 5.296 4.600 222 HD1 TRP 30 HD TRP 30 2.658 3.992 7.659 223 HE1 TRP 30 1HE TRP 30 0.346 4.911 8.322 224 HE3 TRP 30 3HE TRP 30 1.196 5.845 3.127 225 HZ2 TRP 30 2HZ TRP 30 -1.812 6.247 7.084 226 HZ3 TRP 30 3HZ TRP 30 -1.007 6.927 2.952 227 HH2 TRP 30 HH TRP 30 -2.478 7.122 4.889 228 H ASP 31 H ASP 31 4.100 4.999 1.872 229 HA ASP 31 HA ASP 31 6.712 4.231 1.810 230 1HB ASP 31 2HB ASP 31 5.034 2.110 0.844 231 2HB ASP 31 1HB ASP 31 6.055 2.693 -0.468 232 H PHE 32 H PHE 32 5.586 6.566 1.329 233 HA PHE 32 HA PHE 32 6.722 7.519 -0.971 234 1HB PHE 32 2HB PHE 32 4.460 6.035 -1.659 235 2HB PHE 32 1HB PHE 32 3.936 7.712 -1.761 236 HD1 PHE 32 1HD PHE 32 5.193 9.294 -3.238 237 HD2 PHE 32 2HD PHE 32 5.862 5.092 -3.289 238 HE1 PHE 32 1HE PHE 32 6.271 9.496 -5.441 239 HE2 PHE 32 2HE PHE 32 6.943 5.286 -5.490 240 HZ PHE 32 HZ PHE 32 7.148 7.490 -6.569 241 H THR 33 H THR 33 7.068 9.535 -0.346 242 HA THR 33 HA THR 33 4.940 10.954 1.110 243 HB THR 33 HB THR 33 6.609 12.231 2.205 244 HG1 THR 33 1HG THR 33 8.274 12.773 1.073 245 1HG2 THR 33 1HG2 THR 33 6.659 9.465 2.424 246 2HG2 THR 33 2HG2 THR 33 7.327 10.638 3.560 247 3HG2 THR 33 3HG2 THR 33 8.353 9.943 2.306 248 H PHE 34 H PHE 34 5.385 13.486 0.854 249 HA PHE 34 HA PHE 34 5.224 15.313 -0.490 250 1HB PHE 34 2HB PHE 34 7.503 14.742 -1.184 251 2HB PHE 34 1HB PHE 34 6.870 13.632 -2.395 252 HD1 PHE 34 1HD PHE 34 5.708 17.047 -1.521 253 HD2 PHE 34 2HD PHE 34 7.559 14.540 -4.418 254 HE1 PHE 34 1HE PHE 34 5.631 18.886 -3.154 255 HE2 PHE 34 2HE PHE 34 7.487 16.375 -6.058 256 HZ PHE 34 HZ PHE 34 6.523 18.552 -5.425 257 H SER 35 H SER 35 5.186 12.698 -2.911 258 HA SER 35 HA SER 35 3.655 12.101 -4.481 259 1HB SER 35 2HB SER 35 1.371 11.965 -3.827 260 2HB SER 35 1HB SER 35 2.309 11.728 -2.354 261 HG SER 35 HG SER 35 0.461 13.565 -2.839 Start of MODEL 4 1 HA GLU 1 HA GLU 1 -10.569 3.190 -6.120 2 1HB GLU 1 2HB GLU 1 -9.932 0.920 -6.324 3 2HB GLU 1 1HB GLU 1 -10.553 1.374 -7.904 4 1HG GLU 1 2HG GLU 1 -7.628 1.559 -7.354 5 2HG GLU 1 1HG GLU 1 -8.364 -0.003 -7.709 6 1HT GLU 1 1HT GLU 1 -10.301 4.749 -7.709 7 2HT GLU 1 2HT GLU 1 -10.546 3.330 -8.644 8 3HT GLU 1 3HT GLU 1 -8.962 3.957 -8.430 9 H CYS 2 H CYS 2 -9.076 2.392 -4.410 10 HA CYS 2 HA CYS 2 -6.328 2.585 -4.445 11 1HB CYS 2 2HB CYS 2 -5.750 4.738 -4.283 12 2HB CYS 2 1HB CYS 2 -7.370 5.113 -4.812 13 H ARG 3 H ARG 3 -6.136 1.114 -3.003 14 HA ARG 3 HA ARG 3 -7.720 0.999 -0.650 15 1HB ARG 3 2HB ARG 3 -5.831 -0.717 -2.090 16 2HB ARG 3 1HB ARG 3 -5.678 -0.842 -0.346 17 1HG ARG 3 2HG ARG 3 -7.728 -1.893 -2.129 18 2HG ARG 3 1HG ARG 3 -7.275 -2.399 -0.503 19 1HD ARG 3 2HD ARG 3 -8.521 -0.313 0.288 20 2HD ARG 3 1HD ARG 3 -9.203 -0.259 -1.338 21 HE ARG 3 HE ARG 3 -9.649 -2.820 -0.428 22 1HH1 ARG 3 1HH1 ARG 3 -10.481 0.405 0.584 23 2HH1 ARG 3 2HH1 ARG 3 -11.949 -0.076 1.368 24 1HH2 ARG 3 1HH2 ARG 3 -11.583 -3.470 0.614 25 2HH2 ARG 3 2HH2 ARG 3 -12.574 -2.278 1.385 26 H TYR 4 H TYR 4 -7.341 2.440 0.859 27 HA TYR 4 HA TYR 4 -4.872 3.689 1.357 28 1HB TYR 4 2HB TYR 4 -7.522 3.875 2.344 29 2HB TYR 4 1HB TYR 4 -6.483 3.612 3.741 30 HD1 TYR 4 1HD TYR 4 -7.991 6.087 1.919 31 HD2 TYR 4 2HD TYR 4 -4.160 5.084 3.476 32 HE1 TYR 4 1HE TYR 4 -7.362 8.464 1.887 33 HE2 TYR 4 2HE TYR 4 -3.523 7.457 3.452 34 HH TYR 4 HH TYR 4 -4.820 9.716 3.543 35 H LEU 5 H LEU 5 -4.655 3.437 4.176 36 HA LEU 5 HA LEU 5 -2.823 1.356 4.416 37 1HB LEU 5 2HB LEU 5 -3.399 3.479 5.924 38 2HB LEU 5 1HB LEU 5 -4.222 2.254 6.871 39 HG LEU 5 HG LEU 5 -2.117 0.994 7.073 40 1HD1 LEU 5 1HD1 LEU 5 -1.231 3.007 5.126 41 2HD1 LEU 5 2HD1 LEU 5 -0.659 1.361 5.404 42 3HD1 LEU 5 3HD1 LEU 5 -0.095 2.677 6.435 43 1HD2 LEU 5 1HD2 LEU 5 -1.022 3.430 8.048 44 2HD2 LEU 5 2HD2 LEU 5 -1.822 2.141 8.946 45 3HD2 LEU 5 3HD2 LEU 5 -2.769 3.470 8.278 46 H PHE 6 H PHE 6 -2.930 -0.740 4.846 47 HA PHE 6 HA PHE 6 -3.706 -2.792 5.425 48 1HB PHE 6 2HB PHE 6 -5.087 -0.987 7.207 49 2HB PHE 6 1HB PHE 6 -6.108 -2.364 6.803 50 HD1 PHE 6 1HD PHE 6 -3.238 -1.211 8.654 51 HD2 PHE 6 2HD PHE 6 -5.288 -4.668 7.253 52 HE1 PHE 6 1HE PHE 6 -2.014 -2.591 10.282 53 HE2 PHE 6 2HE PHE 6 -4.068 -6.054 8.882 54 HZ PHE 6 HZ PHE 6 -2.429 -5.017 10.397 55 H GLY 7 H GLY 7 -4.717 -1.262 3.030 56 1HA GLY 7 2HA GLY 7 -7.315 -2.585 2.648 57 2HA GLY 7 1HA GLY 7 -6.671 -1.287 1.655 58 H GLY 8 H GLY 8 -7.124 -4.622 1.916 59 1HA GLY 8 2HA GLY 8 -5.130 -5.974 0.765 60 2HA GLY 8 1HA GLY 8 -6.789 -6.205 0.236 61 H CYS 9 H CYS 9 -4.056 -6.181 -1.149 62 HA CYS 9 HA CYS 9 -4.982 -4.729 -3.492 63 1HB CYS 9 2HB CYS 9 -2.699 -3.650 -3.749 64 2HB CYS 9 1HB CYS 9 -3.732 -2.977 -2.491 65 H LYS 10 H LYS 10 -4.318 -5.616 -5.391 66 HA LYS 10 HA LYS 10 -2.955 -8.162 -5.238 67 1HB LYS 10 2HB LYS 10 -3.849 -6.788 -7.763 68 2HB LYS 10 1HB LYS 10 -3.617 -8.509 -7.487 69 1HG LYS 10 2HG LYS 10 -5.651 -7.106 -5.848 70 2HG LYS 10 1HG LYS 10 -6.014 -7.403 -7.549 71 1HD LYS 10 2HD LYS 10 -5.672 -9.770 -7.259 72 2HD LYS 10 1HD LYS 10 -5.119 -9.525 -5.602 73 1HE LYS 10 2HE LYS 10 -7.863 -8.732 -6.544 74 2HE LYS 10 1HE LYS 10 -7.505 -10.325 -5.880 75 1HZ LYS 10 1HZ LYS 10 -6.464 -8.761 -4.000 76 2HZ LYS 10 2HZ LYS 10 -8.061 -9.317 -3.964 77 3HZ LYS 10 3HZ LYS 10 -7.720 -7.761 -4.535 78 H THR 11 H THR 11 -2.233 -4.922 -5.953 79 HA THR 11 HA THR 11 0.555 -5.558 -6.348 80 HB THR 11 HB THR 11 0.600 -5.358 -8.570 81 HG1 THR 11 1HG THR 11 1.021 -3.369 -8.973 82 1HG2 THR 11 1HG2 THR 11 -2.156 -4.210 -8.754 83 2HG2 THR 11 2HG2 THR 11 -1.883 -5.932 -8.481 84 3HG2 THR 11 3HG2 THR 11 -1.267 -5.161 -9.945 85 H THR 12 H THR 12 1.639 -3.262 -6.986 86 HA THR 12 HA THR 12 1.160 -1.630 -4.686 87 HB THR 12 HB THR 12 3.039 -1.484 -7.018 88 HG1 THR 12 1HG THR 12 3.679 -2.760 -5.304 89 1HG2 THR 12 1HG2 THR 12 2.549 0.810 -6.748 90 2HG2 THR 12 2HG2 THR 12 4.070 0.506 -5.911 91 3HG2 THR 12 3HG2 THR 12 2.576 0.676 -4.991 92 H SER 13 H SER 13 0.227 -1.557 -8.024 93 HA SER 13 HA SER 13 -0.644 1.162 -8.010 94 1HB SER 13 2HB SER 13 -1.461 0.730 -10.245 95 2HB SER 13 1HB SER 13 0.128 -0.018 -10.072 96 HG SER 13 HG SER 13 -1.884 -1.232 -10.966 97 H ASP 14 H ASP 14 -1.843 -1.560 -6.594 98 HA ASP 14 HA ASP 14 -4.655 -0.993 -7.074 99 1HB ASP 14 2HB ASP 14 -3.129 -3.186 -5.729 100 2HB ASP 14 1HB ASP 14 -4.825 -2.950 -5.318 101 H CYS 15 H CYS 15 -2.501 0.545 -5.295 102 HA CYS 15 HA CYS 15 -4.363 0.924 -3.042 103 1HB CYS 15 2HB CYS 15 -1.371 1.319 -2.904 104 2HB CYS 15 1HB CYS 15 -2.511 1.304 -1.564 105 H CYS 16 H CYS 16 -3.667 3.043 -1.864 106 HA CYS 16 HA CYS 16 -4.291 5.165 -3.619 107 1HB CYS 16 2HB CYS 16 -3.507 5.251 -0.724 108 2HB CYS 16 1HB CYS 16 -4.305 6.538 -1.627 109 H LYS 17 H LYS 17 -2.625 7.055 -2.012 110 HA LYS 17 HA LYS 17 -0.464 7.113 -3.946 111 1HB LYS 17 2HB LYS 17 -1.756 9.091 -2.144 112 2HB LYS 17 1HB LYS 17 -0.088 9.386 -2.613 113 1HG LYS 17 2HG LYS 17 -0.670 9.421 -4.928 114 2HG LYS 17 1HG LYS 17 -2.314 8.884 -4.575 115 1HD LYS 17 2HD LYS 17 -2.878 11.046 -4.544 116 2HD LYS 17 1HD LYS 17 -2.005 11.151 -3.014 117 1HE LYS 17 2HE LYS 17 -0.651 11.488 -5.677 118 2HE LYS 17 1HE LYS 17 -1.379 12.839 -4.808 119 1HZ LYS 17 1HZ LYS 17 0.757 12.929 -4.044 120 2HZ LYS 17 2HZ LYS 17 0.996 11.256 -4.130 121 3HZ LYS 17 3HZ LYS 17 0.082 11.916 -2.869 122 H HIS 18 H HIS 18 -0.533 7.984 -0.520 123 HA HIS 18 HA HIS 18 2.192 7.618 -0.159 124 1HB HIS 18 2HB HIS 18 0.077 7.507 1.973 125 2HB HIS 18 1HB HIS 18 1.775 7.911 2.199 126 HD1 HIS 18 1HD HIS 18 1.384 9.710 -0.635 127 HD2 HIS 18 2HD HIS 18 -0.374 10.137 3.106 128 HE1 HIS 18 1HE HIS 18 0.650 12.114 -0.506 129 HE2 HIS 18 2HE HIS 18 -0.467 12.332 1.740 130 H LEU 19 H LEU 19 -0.143 5.286 -0.553 131 HA LEU 19 HA LEU 19 1.223 3.336 1.137 132 1HB LEU 19 2HB LEU 19 -1.414 3.370 -0.275 133 2HB LEU 19 1HB LEU 19 -0.721 1.862 0.293 134 HG LEU 19 HG LEU 19 -0.603 3.748 2.418 135 1HD1 LEU 19 1HD1 LEU 19 -3.084 3.811 0.816 136 2HD1 LEU 19 2HD1 LEU 19 -2.360 5.049 1.842 137 3HD1 LEU 19 3HD1 LEU 19 -3.257 3.719 2.567 138 1HD2 LEU 19 1HD2 LEU 19 -0.998 1.088 2.063 139 2HD2 LEU 19 2HD2 LEU 19 -2.607 1.624 2.533 140 3HD2 LEU 19 3HD2 LEU 19 -1.230 1.946 3.583 141 H GLY 20 H GLY 20 2.054 1.423 0.428 142 1HA GLY 20 2HA GLY 20 2.321 1.049 -2.480 143 2HA GLY 20 1HA GLY 20 3.747 1.010 -1.450 144 H CYS 21 H CYS 21 1.708 -0.943 -3.040 145 HA CYS 21 HA CYS 21 1.188 -2.931 -1.070 146 1HB CYS 21 2HB CYS 21 -0.058 -2.489 -3.305 147 2HB CYS 21 1HB CYS 21 1.211 -3.478 -4.018 148 H LYS 22 H LYS 22 2.553 -4.419 -0.313 149 HA LYS 22 HA LYS 22 5.002 -4.951 -1.860 150 1HB LYS 22 2HB LYS 22 4.864 -5.646 1.030 151 2HB LYS 22 1HB LYS 22 6.225 -5.076 0.075 152 1HG LYS 22 2HG LYS 22 5.924 -3.023 0.831 153 2HG LYS 22 1HG LYS 22 4.276 -3.003 0.203 154 1HD LYS 22 2HD LYS 22 3.476 -3.075 2.275 155 2HD LYS 22 1HD LYS 22 4.312 -4.604 2.553 156 1HE LYS 22 2HE LYS 22 5.346 -1.817 3.037 157 2HE LYS 22 1HE LYS 22 5.030 -3.071 4.233 158 1HZ LYS 22 1HZ LYS 22 7.163 -3.597 4.026 159 2HZ LYS 22 2HZ LYS 22 7.365 -2.624 2.656 160 3HZ LYS 22 3HZ LYS 22 6.802 -4.211 2.490 161 H PHE 23 H PHE 23 5.500 -6.988 -2.437 162 HA PHE 23 HA PHE 23 3.584 -8.984 -2.514 163 1HB PHE 23 2HB PHE 23 5.401 -10.489 -3.198 164 2HB PHE 23 1HB PHE 23 5.516 -8.935 -4.017 165 HD1 PHE 23 1HD PHE 23 7.550 -7.855 -4.074 166 HD2 PHE 23 2HD PHE 23 6.798 -10.695 -0.996 167 HE1 PHE 23 1HE PHE 23 9.871 -7.618 -3.294 168 HE2 PHE 23 2HE PHE 23 9.117 -10.463 -0.209 169 HZ PHE 23 HZ PHE 23 10.658 -8.922 -1.360 170 H ARG 24 H ARG 24 3.042 -10.672 -1.221 171 HA ARG 24 HA ARG 24 3.122 -12.157 0.536 172 1HB ARG 24 2HB ARG 24 5.735 -11.647 0.293 173 2HB ARG 24 1HB ARG 24 5.455 -10.844 1.833 174 1HG ARG 24 2HG ARG 24 6.022 -12.930 2.556 175 2HG ARG 24 1HG ARG 24 4.273 -13.112 2.431 176 1HD ARG 24 2HD ARG 24 5.751 -13.690 -0.036 177 2HD ARG 24 1HD ARG 24 6.094 -14.784 1.303 178 HE ARG 24 HE ARG 24 3.291 -14.294 0.721 179 1HH1 ARG 24 1HH1 ARG 24 6.064 -16.360 0.302 180 2HH1 ARG 24 2HH1 ARG 24 5.123 -17.760 -0.086 181 1HH2 ARG 24 1HH2 ARG 24 2.043 -16.132 0.209 182 2HH2 ARG 24 2HH2 ARG 24 2.836 -17.632 -0.136 183 H ASP 25 H ASP 25 2.934 -8.826 0.645 184 HA ASP 25 HA ASP 25 2.398 -8.542 3.463 185 1HB ASP 25 2HB ASP 25 3.381 -6.732 1.986 186 2HB ASP 25 1HB ASP 25 1.782 -6.559 1.271 187 H LYS 26 H LYS 26 0.495 -8.446 0.468 188 HA LYS 26 HA LYS 26 -1.649 -9.243 0.129 189 1HB LYS 26 2HB LYS 26 -1.191 -10.322 2.562 190 2HB LYS 26 1HB LYS 26 -2.449 -9.165 2.975 191 1HG LYS 26 2HG LYS 26 -2.956 -10.840 0.602 192 2HG LYS 26 1HG LYS 26 -2.946 -11.665 2.162 193 1HD LYS 26 2HD LYS 26 -4.577 -10.016 3.008 194 2HD LYS 26 1HD LYS 26 -4.627 -9.277 1.405 195 1HE LYS 26 2HE LYS 26 -5.184 -12.198 1.757 196 2HE LYS 26 1HE LYS 26 -6.444 -11.004 2.065 197 1HZ LYS 26 1HZ LYS 26 -5.488 -11.989 -0.416 198 2HZ LYS 26 2HZ LYS 26 -5.326 -10.307 -0.355 199 3HZ LYS 26 3HZ LYS 26 -6.838 -11.019 -0.101 200 H TYR 27 H TYR 27 -0.940 -6.710 2.441 201 HA TYR 27 HA TYR 27 -3.298 -5.233 1.463 202 1HB TYR 27 2HB TYR 27 -3.115 -3.937 3.629 203 2HB TYR 27 1HB TYR 27 -3.620 -5.609 3.795 204 HD1 TYR 27 1HD TYR 27 -0.928 -3.205 4.403 205 HD2 TYR 27 2HD TYR 27 -2.171 -7.249 4.850 206 HE1 TYR 27 1HE TYR 27 0.901 -3.585 6.003 207 HE2 TYR 27 2HE TYR 27 -0.347 -7.639 6.451 208 HH TYR 27 HH TYR 27 1.060 -5.839 8.114 209 H CYS 28 H CYS 28 -2.757 -2.741 2.278 210 HA CYS 28 HA CYS 28 -0.370 -2.048 0.710 211 1HB CYS 28 2HB CYS 28 -2.690 -0.261 1.466 212 2HB CYS 28 1HB CYS 28 -1.403 0.109 0.323 213 H ALA 29 H ALA 29 1.318 -1.042 1.647 214 HA ALA 29 HA ALA 29 0.933 -0.027 4.390 215 1HB ALA 29 1HB ALA 29 3.118 -0.766 4.995 216 2HB ALA 29 2HB ALA 29 3.478 -1.239 3.333 217 3HB ALA 29 3HB ALA 29 2.274 -2.131 4.264 218 H TRP 30 H TRP 30 1.858 1.909 4.920 219 HA TRP 30 HA TRP 30 2.054 3.948 3.191 220 1HB TRP 30 2HB TRP 30 3.782 3.483 5.628 221 2HB TRP 30 1HB TRP 30 3.722 5.015 4.763 222 HD1 TRP 30 HD TRP 30 2.499 3.830 7.809 223 HE1 TRP 30 1HE TRP 30 0.219 4.821 8.468 224 HE3 TRP 30 3HE TRP 30 1.013 5.588 3.238 225 HZ2 TRP 30 2HZ TRP 30 -1.925 6.165 7.225 226 HZ3 TRP 30 3HZ TRP 30 -1.172 6.712 3.064 227 HH2 TRP 30 HH TRP 30 -2.606 6.994 5.016 228 H ASP 31 H ASP 31 3.846 5.105 2.207 229 HA ASP 31 HA ASP 31 5.525 3.387 0.698 230 1HB ASP 31 2HB ASP 31 4.597 6.091 0.528 231 2HB ASP 31 1HB ASP 31 6.348 6.072 0.348 232 H PHE 32 H PHE 32 6.247 2.852 3.168 233 HA PHE 32 HA PHE 32 7.961 4.096 4.727 234 1HB PHE 32 2HB PHE 32 7.401 1.640 4.759 235 2HB PHE 32 1HB PHE 32 8.687 1.399 3.580 236 HD1 PHE 32 1HD PHE 32 8.263 3.208 6.822 237 HD2 PHE 32 2HD PHE 32 10.653 0.610 4.445 238 HE1 PHE 32 1HE PHE 32 9.902 3.052 8.649 239 HE2 PHE 32 2HE PHE 32 12.296 0.447 6.270 240 HZ PHE 32 HZ PHE 32 11.923 1.669 8.374 241 H THR 33 H THR 33 9.096 5.791 3.808 242 HA THR 33 HA THR 33 11.731 5.432 3.146 243 HB THR 33 HB THR 33 11.096 6.263 0.557 244 HG1 THR 33 1HG THR 33 9.792 3.824 0.830 245 1HG2 THR 33 1HG2 THR 33 11.809 3.445 1.302 246 2HG2 THR 33 2HG2 THR 33 12.967 4.774 1.321 247 3HG2 THR 33 3HG2 THR 33 12.182 4.310 -0.189 248 H PHE 34 H PHE 34 12.817 7.361 2.996 249 HA PHE 34 HA PHE 34 11.187 9.800 2.764 250 1HB PHE 34 2HB PHE 34 13.107 10.580 4.521 251 2HB PHE 34 1HB PHE 34 11.506 10.023 4.995 252 HD1 PHE 34 1HD PHE 34 11.242 8.099 6.298 253 HD2 PHE 34 2HD PHE 34 14.995 8.911 4.467 254 HE1 PHE 34 1HE PHE 34 12.263 6.270 7.590 255 HE2 PHE 34 2HE PHE 34 16.024 7.084 5.754 256 HZ PHE 34 HZ PHE 34 14.658 5.760 7.318 257 H SER 35 H SER 35 12.367 9.046 0.553 258 HA SER 35 HA SER 35 13.814 9.666 -1.088 259 1HB SER 35 2HB SER 35 13.174 11.962 0.061 260 2HB SER 35 1HB SER 35 14.866 11.930 0.557 261 HG SER 35 HG SER 35 14.702 12.971 -1.422 Start of MODEL 5 1 HA GLU 1 HA GLU 1 -9.280 1.535 -6.648 2 1HB GLU 1 2HB GLU 1 -8.255 3.696 -8.433 3 2HB GLU 1 1HB GLU 1 -8.220 1.952 -8.656 4 1HG GLU 1 2HG GLU 1 -9.865 2.266 -10.115 5 2HG GLU 1 1HG GLU 1 -10.902 2.508 -8.708 6 1HT GLU 1 1HT GLU 1 -10.543 4.093 -7.195 7 2HT GLU 1 2HT GLU 1 -10.507 3.512 -5.581 8 3HT GLU 1 3HT GLU 1 -11.236 2.571 -6.817 9 H CYS 2 H CYS 2 -8.696 2.068 -4.421 10 HA CYS 2 HA CYS 2 -6.070 2.840 -4.124 11 1HB CYS 2 2HB CYS 2 -6.072 5.078 -4.145 12 2HB CYS 2 1HB CYS 2 -7.803 5.102 -4.382 13 H ARG 3 H ARG 3 -5.947 1.193 -2.833 14 HA ARG 3 HA ARG 3 -7.636 0.931 -0.530 15 1HB ARG 3 2HB ARG 3 -5.937 -0.786 -2.105 16 2HB ARG 3 1HB ARG 3 -5.522 -0.929 -0.404 17 1HG ARG 3 2HG ARG 3 -7.499 -2.321 -1.693 18 2HG ARG 3 1HG ARG 3 -7.367 -2.110 0.051 19 1HD ARG 3 2HD ARG 3 -8.902 -0.322 0.057 20 2HD ARG 3 1HD ARG 3 -8.821 -0.147 -1.695 21 HE ARG 3 HE ARG 3 -10.329 -1.883 -1.920 22 1HH1 ARG 3 1HH1 ARG 3 -9.251 -1.661 1.383 23 2HH1 ARG 3 2HH1 ARG 3 -10.455 -2.749 1.986 24 1HH2 ARG 3 1HH2 ARG 3 -11.921 -3.317 -1.136 25 2HH2 ARG 3 2HH2 ARG 3 -11.971 -3.691 0.553 26 H TYR 4 H TYR 4 -7.257 2.419 0.894 27 HA TYR 4 HA TYR 4 -4.837 3.627 1.537 28 1HB TYR 4 2HB TYR 4 -7.461 3.819 2.422 29 2HB TYR 4 1HB TYR 4 -6.593 3.277 3.853 30 HD1 TYR 4 1HD TYR 4 -5.424 4.818 5.162 31 HD2 TYR 4 2HD TYR 4 -6.527 5.882 1.193 32 HE1 TYR 4 1HE TYR 4 -4.671 7.123 5.576 33 HE2 TYR 4 2HE TYR 4 -5.773 8.188 1.595 34 HH TYR 4 HH TYR 4 -4.521 9.497 3.003 35 H LEU 5 H LEU 5 -4.624 3.256 4.343 36 HA LEU 5 HA LEU 5 -2.747 1.207 4.533 37 1HB LEU 5 2HB LEU 5 -3.711 3.202 6.204 38 2HB LEU 5 1HB LEU 5 -4.085 1.719 7.060 39 HG LEU 5 HG LEU 5 -1.376 1.657 6.058 40 1HD1 LEU 5 1HD1 LEU 5 -0.403 3.491 7.039 41 2HD1 LEU 5 2HD1 LEU 5 -1.764 3.767 8.129 42 3HD1 LEU 5 3HD1 LEU 5 -1.902 4.182 6.421 43 1HD2 LEU 5 1HD2 LEU 5 -2.738 1.434 8.724 44 2HD2 LEU 5 2HD2 LEU 5 -0.981 1.393 8.571 45 3HD2 LEU 5 3HD2 LEU 5 -1.966 0.170 7.767 46 H PHE 6 H PHE 6 -2.808 -0.928 5.004 47 HA PHE 6 HA PHE 6 -3.618 -3.014 5.420 48 1HB PHE 6 2HB PHE 6 -5.799 -1.442 6.796 49 2HB PHE 6 1HB PHE 6 -5.699 -3.199 6.827 50 HD1 PHE 6 1HD PHE 6 -2.425 -2.359 6.769 51 HD2 PHE 6 2HD PHE 6 -5.787 -2.045 9.357 52 HE1 PHE 6 1HE PHE 6 -0.916 -2.237 8.707 53 HE2 PHE 6 2HE PHE 6 -4.284 -1.921 11.302 54 HZ PHE 6 HZ PHE 6 -1.844 -2.017 10.977 55 H GLY 7 H GLY 7 -4.587 -1.177 3.125 56 1HA GLY 7 2HA GLY 7 -7.145 -2.327 2.433 57 2HA GLY 7 1HA GLY 7 -6.201 -1.214 1.455 58 H GLY 8 H GLY 8 -7.506 -4.128 1.322 59 1HA GLY 8 2HA GLY 8 -5.429 -5.862 0.524 60 2HA GLY 8 1HA GLY 8 -7.123 -6.023 0.076 61 H CYS 9 H CYS 9 -4.041 -5.477 -1.065 62 HA CYS 9 HA CYS 9 -5.075 -4.299 -3.563 63 1HB CYS 9 2HB CYS 9 -2.629 -3.592 -3.885 64 2HB CYS 9 1HB CYS 9 -3.571 -2.717 -2.681 65 H LYS 10 H LYS 10 -4.550 -5.243 -5.494 66 HA LYS 10 HA LYS 10 -3.596 -7.968 -5.380 67 1HB LYS 10 2HB LYS 10 -5.509 -7.037 -6.857 68 2HB LYS 10 1HB LYS 10 -4.220 -6.464 -7.907 69 1HG LYS 10 2HG LYS 10 -4.139 -8.453 -8.864 70 2HG LYS 10 1HG LYS 10 -3.668 -9.167 -7.321 71 1HD LYS 10 2HD LYS 10 -5.598 -10.339 -8.011 72 2HD LYS 10 1HD LYS 10 -6.135 -9.227 -6.751 73 1HE LYS 10 2HE LYS 10 -7.644 -8.419 -8.165 74 2HE LYS 10 1HE LYS 10 -6.328 -7.826 -9.179 75 1HZ LYS 10 1HZ LYS 10 -6.558 -9.527 -10.629 76 2HZ LYS 10 2HZ LYS 10 -8.147 -9.523 -10.051 77 3HZ LYS 10 3HZ LYS 10 -7.030 -10.641 -9.447 78 H THR 11 H THR 11 -2.372 -4.872 -6.022 79 HA THR 11 HA THR 11 0.298 -5.867 -6.342 80 HB THR 11 HB THR 11 0.464 -5.770 -8.566 81 HG1 THR 11 1HG THR 11 0.897 -3.852 -9.315 82 1HG2 THR 11 1HG2 THR 11 -1.486 -4.737 -9.941 83 2HG2 THR 11 2HG2 THR 11 -2.357 -4.843 -8.410 84 3HG2 THR 11 3HG2 THR 11 -1.687 -6.299 -9.147 85 H THR 12 H THR 12 1.705 -3.785 -6.990 86 HA THR 12 HA THR 12 1.431 -2.021 -4.795 87 HB THR 12 HB THR 12 3.155 -1.976 -7.256 88 HG1 THR 12 1HG THR 12 3.748 -3.450 -5.666 89 1HG2 THR 12 1HG2 THR 12 2.814 0.121 -5.187 90 2HG2 THR 12 2HG2 THR 12 3.151 0.272 -6.912 91 3HG2 THR 12 3HG2 THR 12 4.430 -0.221 -5.803 92 H SER 13 H SER 13 0.400 -1.886 -8.115 93 HA SER 13 HA SER 13 -0.356 0.885 -7.936 94 1HB SER 13 2HB SER 13 0.421 -0.693 -10.034 95 2HB SER 13 1HB SER 13 -1.327 -0.625 -10.256 96 HG SER 13 HG SER 13 -0.825 1.206 -11.190 97 H ASP 14 H ASP 14 -1.631 -1.192 -6.222 98 HA ASP 14 HA ASP 14 -4.417 -0.831 -7.103 99 1HB ASP 14 2HB ASP 14 -3.018 -3.110 -5.786 100 2HB ASP 14 1HB ASP 14 -4.697 -2.813 -5.345 101 H CYS 15 H CYS 15 -2.241 0.455 -5.072 102 HA CYS 15 HA CYS 15 -4.223 0.900 -2.935 103 1HB CYS 15 2HB CYS 15 -1.230 1.260 -2.693 104 2HB CYS 15 1HB CYS 15 -2.416 1.299 -1.394 105 H CYS 16 H CYS 16 -3.950 2.998 -1.814 106 HA CYS 16 HA CYS 16 -4.444 5.113 -3.510 107 1HB CYS 16 2HB CYS 16 -3.525 5.274 -0.655 108 2HB CYS 16 1HB CYS 16 -4.426 6.501 -1.543 109 H LYS 17 H LYS 17 -2.758 7.040 -1.978 110 HA LYS 17 HA LYS 17 -0.620 7.079 -3.948 111 1HB LYS 17 2HB LYS 17 -2.216 9.053 -3.164 112 2HB LYS 17 1HB LYS 17 -0.944 9.272 -1.967 113 1HG LYS 17 2HG LYS 17 0.458 10.159 -3.456 114 2HG LYS 17 1HG LYS 17 0.076 8.943 -4.676 115 1HD LYS 17 2HD LYS 17 -2.111 10.809 -4.192 116 2HD LYS 17 1HD LYS 17 -0.640 11.599 -4.763 117 1HE LYS 17 2HE LYS 17 -1.048 10.905 -6.832 118 2HE LYS 17 1HE LYS 17 -1.039 9.229 -6.285 119 1HZ LYS 17 1HZ LYS 17 -3.121 9.797 -7.364 120 2HZ LYS 17 2HZ LYS 17 -3.390 11.043 -6.252 121 3HZ LYS 17 3HZ LYS 17 -3.382 9.434 -5.733 122 H HIS 18 H HIS 18 -0.674 8.073 -0.559 123 HA HIS 18 HA HIS 18 2.048 7.771 -0.182 124 1HB HIS 18 2HB HIS 18 -0.169 7.761 1.853 125 2HB HIS 18 1HB HIS 18 1.540 7.948 2.239 126 HD1 HIS 18 1HD HIS 18 -0.168 10.190 3.135 127 HD2 HIS 18 2HD HIS 18 1.414 10.048 -0.704 128 HE1 HIS 18 1HE HIS 18 -0.168 12.569 2.319 129 HE2 HIS 18 2HE HIS 18 0.739 12.452 -0.027 130 H LEU 19 H LEU 19 -0.244 5.375 -0.501 131 HA LEU 19 HA LEU 19 1.235 3.480 1.166 132 1HB LEU 19 2HB LEU 19 -1.465 3.390 -0.138 133 2HB LEU 19 1HB LEU 19 -0.706 1.949 0.509 134 HG LEU 19 HG LEU 19 -0.593 3.984 2.496 135 1HD1 LEU 19 1HD1 LEU 19 -3.082 3.906 0.937 136 2HD1 LEU 19 2HD1 LEU 19 -2.421 5.176 1.964 137 3HD1 LEU 19 3HD1 LEU 19 -3.271 3.812 2.688 138 1HD2 LEU 19 1HD2 LEU 19 -1.324 2.308 3.849 139 2HD2 LEU 19 2HD2 LEU 19 -0.762 1.350 2.480 140 3HD2 LEU 19 3HD2 LEU 19 -2.478 1.703 2.663 141 H GLY 20 H GLY 20 1.573 1.298 0.341 142 1HA GLY 20 2HA GLY 20 1.839 0.986 -2.538 143 2HA GLY 20 1HA GLY 20 3.345 0.987 -1.624 144 H CYS 21 H CYS 21 1.608 -1.118 -3.140 145 HA CYS 21 HA CYS 21 0.912 -3.001 -1.131 146 1HB CYS 21 2HB CYS 21 0.075 -2.744 -3.609 147 2HB CYS 21 1HB CYS 21 1.395 -3.858 -3.946 148 H LYS 22 H LYS 22 2.252 -4.186 0.016 149 HA LYS 22 HA LYS 22 4.827 -4.970 -1.183 150 1HB LYS 22 2HB LYS 22 4.238 -4.531 1.750 151 2HB LYS 22 1HB LYS 22 5.801 -4.922 1.044 152 1HG LYS 22 2HG LYS 22 6.237 -2.785 0.670 153 2HG LYS 22 1HG LYS 22 4.708 -2.567 -0.186 154 1HD LYS 22 2HD LYS 22 4.644 -1.068 1.639 155 2HD LYS 22 1HD LYS 22 3.611 -2.423 2.096 156 1HE LYS 22 2HE LYS 22 4.879 -2.033 4.009 157 2HE LYS 22 1HE LYS 22 5.713 -3.374 3.228 158 1HZ LYS 22 1HZ LYS 22 6.626 -0.693 3.729 159 2HZ LYS 22 2HZ LYS 22 6.921 -1.218 2.149 160 3HZ LYS 22 3HZ LYS 22 7.516 -2.107 3.460 161 H PHE 23 H PHE 23 4.973 -7.075 -1.580 162 HA PHE 23 HA PHE 23 3.146 -9.014 -1.073 163 1HB PHE 23 2HB PHE 23 6.115 -9.131 -1.439 164 2HB PHE 23 1HB PHE 23 5.239 -10.606 -1.055 165 HD1 PHE 23 1HD PHE 23 6.858 -10.079 -3.534 166 HD2 PHE 23 2HD PHE 23 2.712 -9.564 -2.712 167 HE1 PHE 23 1HE PHE 23 6.349 -10.383 -5.920 168 HE2 PHE 23 2HE PHE 23 2.199 -9.863 -5.094 169 HZ PHE 23 HZ PHE 23 4.017 -10.275 -6.704 170 H ARG 24 H ARG 24 3.586 -11.059 0.311 171 HA ARG 24 HA ARG 24 4.093 -12.053 2.344 172 1HB ARG 24 2HB ARG 24 5.794 -10.085 2.598 173 2HB ARG 24 1HB ARG 24 4.561 -9.394 3.643 174 1HG ARG 24 2HG ARG 24 4.788 -11.051 5.234 175 2HG ARG 24 1HG ARG 24 5.490 -12.196 4.089 176 1HD ARG 24 2HD ARG 24 6.962 -9.674 4.674 177 2HD ARG 24 1HD ARG 24 6.977 -10.959 5.881 178 HE ARG 24 HE ARG 24 7.619 -11.962 3.303 179 1HH1 ARG 24 1HH1 ARG 24 8.933 -10.168 5.984 180 2HH1 ARG 24 2HH1 ARG 24 10.569 -10.634 5.662 181 1HH2 ARG 24 1HH2 ARG 24 9.770 -12.584 2.871 182 2HH2 ARG 24 2HH2 ARG 24 11.046 -12.007 3.892 183 H ASP 25 H ASP 25 2.397 -8.926 2.495 184 HA ASP 25 HA ASP 25 0.367 -10.233 4.182 185 1HB ASP 25 2HB ASP 25 1.633 -7.601 4.303 186 2HB ASP 25 1HB ASP 25 -0.125 -7.520 4.368 187 H LYS 26 H LYS 26 0.924 -8.330 1.306 188 HA LYS 26 HA LYS 26 -0.368 -8.248 -0.598 189 1HB LYS 26 2HB LYS 26 -1.494 -10.358 0.462 190 2HB LYS 26 1HB LYS 26 -2.783 -9.236 0.876 191 1HG LYS 26 2HG LYS 26 -3.218 -8.751 -1.396 192 2HG LYS 26 1HG LYS 26 -1.738 -9.555 -1.923 193 1HD LYS 26 2HD LYS 26 -3.947 -11.013 -0.496 194 2HD LYS 26 1HD LYS 26 -3.913 -10.830 -2.252 195 1HE LYS 26 2HE LYS 26 -1.876 -12.039 -2.423 196 2HE LYS 26 1HE LYS 26 -1.624 -11.992 -0.679 197 1HZ LYS 26 1HZ LYS 26 -2.407 -14.141 -1.217 198 2HZ LYS 26 2HZ LYS 26 -3.668 -13.539 -2.168 199 3HZ LYS 26 3HZ LYS 26 -3.709 -13.339 -0.490 200 H TYR 27 H TYR 27 -1.070 -6.862 2.418 201 HA TYR 27 HA TYR 27 -3.161 -5.110 1.467 202 1HB TYR 27 2HB TYR 27 -3.033 -4.065 3.678 203 2HB TYR 27 1HB TYR 27 -3.155 -5.806 3.813 204 HD1 TYR 27 1HD TYR 27 -2.354 -4.625 6.184 205 HD2 TYR 27 2HD TYR 27 0.067 -5.402 2.772 206 HE1 TYR 27 1HE TYR 27 -0.355 -4.643 7.614 207 HE2 TYR 27 2HE TYR 27 2.071 -5.425 4.194 208 HH TYR 27 HH TYR 27 2.847 -5.380 6.287 209 H CYS 28 H CYS 28 -2.516 -2.707 2.573 210 HA CYS 28 HA CYS 28 -0.233 -1.845 0.923 211 1HB CYS 28 2HB CYS 28 -2.617 -0.156 1.684 212 2HB CYS 28 1HB CYS 28 -1.367 0.221 0.504 213 H ALA 29 H ALA 29 1.253 -0.448 1.766 214 HA ALA 29 HA ALA 29 0.861 0.537 4.497 215 1HB ALA 29 1HB ALA 29 2.603 -1.620 3.775 216 2HB ALA 29 2HB ALA 29 2.277 -0.935 5.366 217 3HB ALA 29 3HB ALA 29 3.556 -0.254 4.358 218 H TRP 30 H TRP 30 2.018 2.413 4.995 219 HA TRP 30 HA TRP 30 2.372 4.299 3.067 220 1HB TRP 30 2HB TRP 30 3.918 4.047 5.650 221 2HB TRP 30 1HB TRP 30 3.867 5.498 4.656 222 HD1 TRP 30 HD TRP 30 2.653 4.783 7.742 223 HE1 TRP 30 1HE TRP 30 0.295 5.684 8.237 224 HE3 TRP 30 3HE TRP 30 1.051 5.552 2.944 225 HZ2 TRP 30 2HZ TRP 30 -1.946 6.596 6.790 226 HZ3 TRP 30 3HZ TRP 30 -1.215 6.436 2.593 227 HH2 TRP 30 HH TRP 30 -2.682 6.946 4.473 228 H ASP 31 H ASP 31 4.042 5.119 1.859 229 HA ASP 31 HA ASP 31 6.704 4.399 1.902 230 1HB ASP 31 2HB ASP 31 5.561 2.140 1.293 231 2HB ASP 31 1HB ASP 31 5.388 2.859 -0.305 232 H PHE 32 H PHE 32 6.319 6.710 1.504 233 HA PHE 32 HA PHE 32 7.160 7.549 -0.953 234 1HB PHE 32 2HB PHE 32 5.134 6.785 -1.987 235 2HB PHE 32 1HB PHE 32 4.144 7.584 -0.770 236 HD1 PHE 32 1HD PHE 32 6.459 8.187 -3.590 237 HD2 PHE 32 2HD PHE 32 3.473 9.819 -1.033 238 HE1 PHE 32 1HE PHE 32 6.333 10.185 -5.020 239 HE2 PHE 32 2HE PHE 32 3.340 11.819 -2.460 240 HZ PHE 32 HZ PHE 32 4.771 12.004 -4.456 241 H THR 33 H THR 33 8.298 8.925 0.402 242 HA THR 33 HA THR 33 6.748 11.226 1.376 243 HB THR 33 HB THR 33 8.197 11.405 3.323 244 HG1 THR 33 1HG THR 33 10.004 10.369 3.416 245 1HG2 THR 33 1HG2 THR 33 6.438 9.190 2.907 246 2HG2 THR 33 2HG2 THR 33 6.756 10.111 4.377 247 3HG2 THR 33 3HG2 THR 33 7.763 8.721 3.972 248 H PHE 34 H PHE 34 7.762 13.242 1.226 249 HA PHE 34 HA PHE 34 9.135 14.837 0.356 250 1HB PHE 34 2HB PHE 34 10.886 12.755 1.208 251 2HB PHE 34 1HB PHE 34 11.484 13.371 -0.328 252 HD1 PHE 34 1HD PHE 34 11.536 16.009 -0.495 253 HD2 PHE 34 2HD PHE 34 11.559 13.791 3.135 254 HE1 PHE 34 1HE PHE 34 12.539 17.931 0.666 255 HE2 PHE 34 2HE PHE 34 12.559 15.710 4.306 256 HZ PHE 34 HZ PHE 34 13.051 17.784 3.072 257 H SER 35 H SER 35 11.109 14.621 -1.662 258 HA SER 35 HA SER 35 9.407 14.391 -3.958 259 1HB SER 35 2HB SER 35 10.865 16.041 -4.478 260 2HB SER 35 1HB SER 35 12.093 15.435 -3.367 261 HG SER 35 HG SER 35 11.607 14.726 -6.044 Start of MODEL 6 1 HA GLU 1 HA GLU 1 -10.027 2.117 -6.122 2 1HB GLU 1 2HB GLU 1 -8.469 0.735 -7.282 3 2HB GLU 1 1HB GLU 1 -9.569 1.375 -8.496 4 1HG GLU 1 2HG GLU 1 -6.784 2.352 -7.911 5 2HG GLU 1 1HG GLU 1 -7.300 1.413 -9.311 6 1HT GLU 1 1HT GLU 1 -10.429 3.289 -8.387 7 2HT GLU 1 2HT GLU 1 -9.398 4.468 -7.686 8 3HT GLU 1 3HT GLU 1 -10.848 4.015 -6.891 9 H CYS 2 H CYS 2 -8.643 1.986 -4.424 10 HA CYS 2 HA CYS 2 -6.045 2.819 -4.234 11 1HB CYS 2 2HB CYS 2 -6.034 5.053 -4.165 12 2HB CYS 2 1HB CYS 2 -7.760 5.071 -4.433 13 H ARG 3 H ARG 3 -5.870 1.123 -2.987 14 HA ARG 3 HA ARG 3 -7.460 0.731 -0.656 15 1HB ARG 3 2HB ARG 3 -5.385 -0.733 -2.133 16 2HB ARG 3 1HB ARG 3 -5.298 -0.952 -0.394 17 1HG ARG 3 2HG ARG 3 -7.030 -2.205 -2.275 18 2HG ARG 3 1HG ARG 3 -6.865 -2.512 -0.547 19 1HD ARG 3 2HD ARG 3 -8.489 -0.776 -0.061 20 2HD ARG 3 1HD ARG 3 -8.595 -0.362 -1.766 21 HE ARG 3 HE ARG 3 -9.715 -2.427 -2.165 22 1HH1 ARG 3 1HH1 ARG 3 -9.215 -1.748 1.236 23 2HH1 ARG 3 2HH1 ARG 3 -10.450 -2.842 1.751 24 1HH2 ARG 3 1HH2 ARG 3 -11.328 -3.863 -1.467 25 2HH2 ARG 3 2HH2 ARG 3 -11.644 -4.041 0.227 26 H TYR 4 H TYR 4 -7.259 2.179 0.848 27 HA TYR 4 HA TYR 4 -4.995 3.668 1.496 28 1HB TYR 4 2HB TYR 4 -7.543 3.769 2.306 29 2HB TYR 4 1HB TYR 4 -6.873 2.917 3.692 30 HD1 TYR 4 1HD TYR 4 -5.567 5.705 1.571 31 HD2 TYR 4 2HD TYR 4 -6.665 4.382 5.463 32 HE1 TYR 4 1HE TYR 4 -4.793 7.844 2.510 33 HE2 TYR 4 2HE TYR 4 -5.899 6.516 6.412 34 HH TYR 4 HH TYR 4 -5.052 9.215 4.428 35 H LEU 5 H LEU 5 -4.823 3.199 4.328 36 HA LEU 5 HA LEU 5 -2.781 1.193 4.342 37 1HB LEU 5 2HB LEU 5 -2.808 3.321 5.718 38 2HB LEU 5 1HB LEU 5 -3.989 2.534 6.749 39 HG LEU 5 HG LEU 5 -2.157 0.660 6.922 40 1HD1 LEU 5 1HD1 LEU 5 -0.265 1.112 5.855 41 2HD1 LEU 5 2HD1 LEU 5 0.001 2.414 7.015 42 3HD1 LEU 5 3HD1 LEU 5 -0.796 2.751 5.479 43 1HD2 LEU 5 1HD2 LEU 5 -1.987 1.398 9.017 44 2HD2 LEU 5 2HD2 LEU 5 -2.982 2.764 8.513 45 3HD2 LEU 5 3HD2 LEU 5 -1.224 2.903 8.505 46 H PHE 6 H PHE 6 -3.004 -0.899 4.651 47 HA PHE 6 HA PHE 6 -3.709 -2.869 5.606 48 1HB PHE 6 2HB PHE 6 -4.762 -1.037 7.382 49 2HB PHE 6 1HB PHE 6 -6.184 -1.917 6.835 50 HD1 PHE 6 1HD PHE 6 -3.538 -1.876 9.136 51 HD2 PHE 6 2HD PHE 6 -5.940 -4.528 6.832 52 HE1 PHE 6 1HE PHE 6 -2.989 -3.710 10.681 53 HE2 PHE 6 2HE PHE 6 -5.397 -6.367 8.374 54 HZ PHE 6 HZ PHE 6 -3.917 -5.958 10.303 55 H GLY 7 H GLY 7 -4.676 -1.480 3.106 56 1HA GLY 7 2HA GLY 7 -7.258 -2.842 2.755 57 2HA GLY 7 1HA GLY 7 -6.628 -1.568 1.722 58 H GLY 8 H GLY 8 -7.520 -4.546 1.437 59 1HA GLY 8 2HA GLY 8 -5.333 -6.056 0.558 60 2HA GLY 8 1HA GLY 8 -6.995 -6.278 0.026 61 H CYS 9 H CYS 9 -4.035 -5.904 -1.141 62 HA CYS 9 HA CYS 9 -4.993 -4.431 -3.507 63 1HB CYS 9 2HB CYS 9 -2.512 -3.751 -3.763 64 2HB CYS 9 1HB CYS 9 -3.498 -2.894 -2.587 65 H LYS 10 H LYS 10 -4.515 -5.282 -5.472 66 HA LYS 10 HA LYS 10 -3.602 -8.014 -5.539 67 1HB LYS 10 2HB LYS 10 -4.828 -6.110 -7.458 68 2HB LYS 10 1HB LYS 10 -3.828 -7.383 -8.143 69 1HG LYS 10 2HG LYS 10 -5.475 -8.662 -6.289 70 2HG LYS 10 1HG LYS 10 -6.514 -7.512 -7.132 71 1HD LYS 10 2HD LYS 10 -6.671 -9.316 -8.539 72 2HD LYS 10 1HD LYS 10 -5.299 -8.471 -9.258 73 1HE LYS 10 2HE LYS 10 -3.807 -10.047 -8.595 74 2HE LYS 10 1HE LYS 10 -4.690 -10.414 -7.114 75 1HZ LYS 10 1HZ LYS 10 -5.284 -12.260 -8.190 76 2HZ LYS 10 2HZ LYS 10 -4.868 -11.646 -9.710 77 3HZ LYS 10 3HZ LYS 10 -6.374 -11.279 -9.033 78 H THR 11 H THR 11 -2.334 -4.896 -6.038 79 HA THR 11 HA THR 11 0.343 -5.888 -6.283 80 HB THR 11 HB THR 11 0.642 -5.722 -8.492 81 HG1 THR 11 1HG THR 11 1.198 -3.740 -8.817 82 1HG2 THR 11 1HG2 THR 11 -1.517 -6.423 -9.022 83 2HG2 THR 11 2HG2 THR 11 -1.254 -4.978 -10.001 84 3HG2 THR 11 3HG2 THR 11 -2.230 -4.885 -8.533 85 H THR 12 H THR 12 1.723 -3.715 -6.943 86 HA THR 12 HA THR 12 1.302 -1.988 -4.717 87 HB THR 12 HB THR 12 3.233 -2.026 -7.009 88 HG1 THR 12 1HG THR 12 4.634 -2.557 -5.462 89 1HG2 THR 12 1HG2 THR 12 4.335 -0.113 -5.603 90 2HG2 THR 12 2HG2 THR 12 2.656 0.248 -5.200 91 3HG2 THR 12 3HG2 THR 12 3.178 0.242 -6.885 92 H SER 13 H SER 13 0.412 -1.955 -8.050 93 HA SER 13 HA SER 13 -0.287 0.829 -8.084 94 1HB SER 13 2HB SER 13 -1.119 0.323 -10.384 95 2HB SER 13 1HB SER 13 0.567 -0.127 -10.132 96 HG SER 13 HG SER 13 -0.936 -1.710 -11.180 97 H ASP 14 H ASP 14 -1.632 -1.226 -6.279 98 HA ASP 14 HA ASP 14 -4.399 -0.698 -7.127 99 1HB ASP 14 2HB ASP 14 -3.110 -3.079 -5.890 100 2HB ASP 14 1HB ASP 14 -4.748 -2.693 -5.376 101 H CYS 15 H CYS 15 -2.244 0.646 -5.232 102 HA CYS 15 HA CYS 15 -4.115 1.013 -2.990 103 1HB CYS 15 2HB CYS 15 -1.133 1.438 -2.840 104 2HB CYS 15 1HB CYS 15 -2.278 1.355 -1.508 105 H CYS 16 H CYS 16 -3.864 3.081 -1.856 106 HA CYS 16 HA CYS 16 -4.430 5.218 -3.515 107 1HB CYS 16 2HB CYS 16 -3.530 5.338 -0.653 108 2HB CYS 16 1HB CYS 16 -4.461 6.560 -1.519 109 H LYS 17 H LYS 17 -2.762 7.116 -1.872 110 HA LYS 17 HA LYS 17 -0.673 7.328 -3.879 111 1HB LYS 17 2HB LYS 17 -1.905 9.193 -1.900 112 2HB LYS 17 1HB LYS 17 -0.299 9.552 -2.518 113 1HG LYS 17 2HG LYS 17 -1.536 9.082 -4.835 114 2HG LYS 17 1HG LYS 17 -2.918 9.625 -3.879 115 1HD LYS 17 2HD LYS 17 -1.890 11.506 -5.023 116 2HD LYS 17 1HD LYS 17 -1.685 11.663 -3.278 117 1HE LYS 17 2HE LYS 17 0.555 10.270 -4.022 118 2HE LYS 17 1HE LYS 17 0.315 11.357 -5.388 119 1HZ LYS 17 1HZ LYS 17 1.612 12.034 -3.162 120 2HZ LYS 17 2HZ LYS 17 0.057 12.570 -2.767 121 3HZ LYS 17 3HZ LYS 17 0.823 13.151 -4.158 122 H HIS 18 H HIS 18 -0.630 8.134 -0.450 123 HA HIS 18 HA HIS 18 2.106 7.766 -0.176 124 1HB HIS 18 2HB HIS 18 -0.047 7.766 1.927 125 2HB HIS 18 1HB HIS 18 1.676 7.895 2.264 126 HD1 HIS 18 1HD HIS 18 -1.200 9.948 1.861 127 HD2 HIS 18 2HD HIS 18 2.797 10.286 0.775 128 HE1 HIS 18 1HE HIS 18 -0.820 12.399 1.446 129 HE2 HIS 18 2HE HIS 18 1.609 12.583 0.805 130 H LEU 19 H LEU 19 -0.258 5.447 -0.486 131 HA LEU 19 HA LEU 19 1.167 3.474 1.125 132 1HB LEU 19 2HB LEU 19 -1.506 3.459 -0.245 133 2HB LEU 19 1HB LEU 19 -0.806 2.014 0.462 134 HG LEU 19 HG LEU 19 -0.739 4.192 2.349 135 1HD1 LEU 19 1HD1 LEU 19 -3.386 3.888 2.572 136 2HD1 LEU 19 2HD1 LEU 19 -3.227 3.816 0.818 137 3HD1 LEU 19 3HD1 LEU 19 -2.631 5.221 1.700 138 1HD2 LEU 19 1HD2 LEU 19 -2.342 1.662 2.487 139 2HD2 LEU 19 2HD2 LEU 19 -1.631 2.588 3.809 140 3HD2 LEU 19 3HD2 LEU 19 -0.592 1.687 2.704 141 H GLY 20 H GLY 20 1.489 1.313 0.261 142 1HA GLY 20 2HA GLY 20 1.713 0.989 -2.605 143 2HA GLY 20 1HA GLY 20 3.254 1.099 -1.762 144 H CYS 21 H CYS 21 1.459 -1.097 -3.127 145 HA CYS 21 HA CYS 21 1.091 -3.023 -1.068 146 1HB CYS 21 2HB CYS 21 -0.050 -2.796 -3.428 147 2HB CYS 21 1HB CYS 21 1.288 -3.819 -3.939 148 H LYS 22 H LYS 22 2.636 -4.165 -0.113 149 HA LYS 22 HA LYS 22 5.245 -4.373 -1.401 150 1HB LYS 22 2HB LYS 22 4.872 -5.527 1.287 151 2HB LYS 22 1HB LYS 22 6.151 -4.493 0.670 152 1HG LYS 22 2HG LYS 22 3.972 -2.819 0.707 153 2HG LYS 22 1HG LYS 22 3.745 -3.808 2.149 154 1HD LYS 22 2HD LYS 22 6.434 -2.641 1.578 155 2HD LYS 22 1HD LYS 22 5.169 -1.614 2.257 156 1HE LYS 22 2HE LYS 22 4.873 -3.297 4.070 157 2HE LYS 22 1HE LYS 22 6.266 -4.165 3.428 158 1HZ LYS 22 1HZ LYS 22 6.212 -1.454 4.621 159 2HZ LYS 22 2HZ LYS 22 7.535 -2.038 3.743 160 3HZ LYS 22 3HZ LYS 22 7.057 -2.814 5.169 161 H PHE 23 H PHE 23 6.413 -6.346 -1.487 162 HA PHE 23 HA PHE 23 5.410 -8.417 -2.807 163 1HB PHE 23 2HB PHE 23 7.085 -9.771 -1.055 164 2HB PHE 23 1HB PHE 23 7.565 -8.981 -2.551 165 HD1 PHE 23 1HD PHE 23 8.912 -7.052 -2.536 166 HD2 PHE 23 2HD PHE 23 7.278 -8.534 1.103 167 HE1 PHE 23 1HE PHE 23 10.357 -5.517 -1.266 168 HE2 PHE 23 2HE PHE 23 8.720 -7.002 2.379 169 HZ PHE 23 HZ PHE 23 10.261 -5.489 1.194 170 H ARG 24 H ARG 24 3.823 -9.815 -2.583 171 HA ARG 24 HA ARG 24 1.957 -10.739 -1.552 172 1HB ARG 24 2HB ARG 24 4.449 -12.085 -0.596 173 2HB ARG 24 1HB ARG 24 2.898 -12.615 0.040 174 1HG ARG 24 2HG ARG 24 2.205 -12.762 -2.451 175 2HG ARG 24 1HG ARG 24 3.943 -12.761 -2.753 176 1HD ARG 24 2HD ARG 24 3.890 -14.621 -0.863 177 2HD ARG 24 1HD ARG 24 2.236 -14.811 -1.446 178 HE ARG 24 HE ARG 24 3.625 -14.871 -3.730 179 1HH1 ARG 24 1HH1 ARG 24 4.101 -16.527 -0.702 180 2HH1 ARG 24 2HH1 ARG 24 4.837 -17.915 -1.431 181 1HH2 ARG 24 1HH2 ARG 24 4.600 -16.690 -4.696 182 2HH2 ARG 24 2HH2 ARG 24 5.123 -18.008 -3.700 183 H ASP 25 H ASP 25 2.513 -8.288 -0.265 184 HA ASP 25 HA ASP 25 2.552 -8.668 2.575 185 1HB ASP 25 2HB ASP 25 3.416 -6.601 1.682 186 2HB ASP 25 1HB ASP 25 1.892 -6.262 0.869 187 H LYS 26 H LYS 26 0.127 -8.487 0.103 188 HA LYS 26 HA LYS 26 -2.063 -9.199 0.232 189 1HB LYS 26 2HB LYS 26 -1.270 -10.257 2.482 190 2HB LYS 26 1HB LYS 26 -2.084 -8.880 3.210 191 1HG LYS 26 2HG LYS 26 -3.911 -9.888 1.375 192 2HG LYS 26 1HG LYS 26 -3.191 -11.309 2.133 193 1HD LYS 26 2HD LYS 26 -3.941 -9.095 3.938 194 2HD LYS 26 1HD LYS 26 -5.271 -9.972 3.179 195 1HE LYS 26 2HE LYS 26 -4.421 -12.068 4.041 196 2HE LYS 26 1HE LYS 26 -3.013 -11.250 4.717 197 1HZ LYS 26 1HZ LYS 26 -5.829 -10.764 5.528 198 2HZ LYS 26 2HZ LYS 26 -4.460 -10.032 6.200 199 3HZ LYS 26 3HZ LYS 26 -4.710 -11.694 6.392 200 H TYR 27 H TYR 27 -0.993 -6.592 2.368 201 HA TYR 27 HA TYR 27 -3.342 -5.042 1.494 202 1HB TYR 27 2HB TYR 27 -3.125 -3.799 3.667 203 2HB TYR 27 1HB TYR 27 -3.599 -5.480 3.831 204 HD1 TYR 27 1HD TYR 27 -1.192 -2.976 4.726 205 HD2 TYR 27 2HD TYR 27 -1.840 -7.174 4.499 206 HE1 TYR 27 1HE TYR 27 0.681 -3.341 6.276 207 HE2 TYR 27 2HE TYR 27 0.031 -7.554 6.051 208 HH TYR 27 HH TYR 27 2.139 -6.301 6.734 209 H CYS 28 H CYS 28 -2.664 -2.581 2.395 210 HA CYS 28 HA CYS 28 -0.251 -1.958 0.826 211 1HB CYS 28 2HB CYS 28 -2.626 -0.165 1.368 212 2HB CYS 28 1HB CYS 28 -1.269 0.185 0.300 213 H ALA 29 H ALA 29 1.387 -0.923 1.787 214 HA ALA 29 HA ALA 29 0.907 0.213 4.465 215 1HB ALA 29 1HB ALA 29 2.418 -1.970 4.003 216 2HB ALA 29 2HB ALA 29 2.694 -0.843 5.333 217 3HB ALA 29 3HB ALA 29 3.635 -0.702 3.848 218 H TRP 30 H TRP 30 1.889 2.136 4.983 219 HA TRP 30 HA TRP 30 2.154 4.126 3.192 220 1HB TRP 30 2HB TRP 30 3.859 3.770 5.665 221 2HB TRP 30 1HB TRP 30 3.646 5.286 4.796 222 HD1 TRP 30 HD TRP 30 2.446 3.715 7.775 223 HE1 TRP 30 1HE TRP 30 0.138 4.605 8.489 224 HE3 TRP 30 3HE TRP 30 1.073 5.998 3.412 225 HZ2 TRP 30 2HZ TRP 30 -1.983 6.083 7.351 226 HZ3 TRP 30 3HZ TRP 30 -1.111 7.126 3.308 227 HH2 TRP 30 HH TRP 30 -2.605 7.167 5.238 228 H ASP 31 H ASP 31 3.859 5.187 2.123 229 HA ASP 31 HA ASP 31 5.965 5.419 1.177 230 1HB ASP 31 2HB ASP 31 6.664 3.676 3.046 231 2HB ASP 31 1HB ASP 31 6.707 2.574 1.672 232 H PHE 32 H PHE 32 5.120 5.627 -0.831 233 HA PHE 32 HA PHE 32 4.227 3.340 -2.312 234 1HB PHE 32 2HB PHE 32 3.177 5.661 -2.422 235 2HB PHE 32 1HB PHE 32 4.570 6.128 -3.393 236 HD1 PHE 32 1HD PHE 32 2.892 2.843 -3.508 237 HD2 PHE 32 2HD PHE 32 3.458 6.601 -5.424 238 HE1 PHE 32 1HE PHE 32 1.772 1.981 -5.521 239 HE2 PHE 32 2HE PHE 32 2.335 5.746 -7.440 240 HZ PHE 32 HZ PHE 32 1.490 3.433 -7.489 241 H THR 33 H THR 33 5.313 2.262 -3.862 242 HA THR 33 HA THR 33 8.112 2.999 -4.279 243 HB THR 33 HB THR 33 8.349 0.724 -5.204 244 HG1 THR 33 1HG THR 33 6.007 0.721 -5.845 245 1HG2 THR 33 1HG2 THR 33 8.197 1.294 -2.607 246 2HG2 THR 33 2HG2 THR 33 8.454 -0.340 -3.220 247 3HG2 THR 33 3HG2 THR 33 6.839 0.173 -2.731 248 H PHE 34 H PHE 34 9.042 2.832 -6.438 249 HA PHE 34 HA PHE 34 9.127 3.742 -8.540 250 1HB PHE 34 2HB PHE 34 7.156 1.522 -8.563 251 2HB PHE 34 1HB PHE 34 7.224 2.539 -9.999 252 HD1 PHE 34 1HD PHE 34 7.986 0.698 -11.374 253 HD2 PHE 34 2HD PHE 34 10.213 1.981 -7.983 254 HE1 PHE 34 1HE PHE 34 9.933 -0.570 -12.180 255 HE2 PHE 34 2HE PHE 34 12.166 0.718 -8.783 256 HZ PHE 34 HZ PHE 34 12.028 -0.560 -10.883 257 H SER 35 H SER 35 8.289 5.807 -7.479 258 HA SER 35 HA SER 35 5.566 6.515 -8.208 259 1HB SER 35 2HB SER 35 7.646 7.618 -6.439 260 2HB SER 35 1HB SER 35 6.688 8.833 -7.286 261 HG SER 35 HG SER 35 5.288 6.729 -6.139 Start of MODEL 7 1 HA GLU 1 HA GLU 1 -10.361 2.833 -6.073 2 1HB GLU 1 2HB GLU 1 -10.015 1.504 -8.110 3 2HB GLU 1 1HB GLU 1 -8.352 2.063 -8.201 4 1HG GLU 1 2HG GLU 1 -8.354 -0.142 -7.302 5 2HG GLU 1 1HG GLU 1 -7.922 0.979 -6.012 6 1HT GLU 1 1HT GLU 1 -10.109 3.682 -8.607 7 2HT GLU 1 2HT GLU 1 -9.213 4.842 -7.714 8 3HT GLU 1 3HT GLU 1 -10.854 4.531 -7.318 9 H CYS 2 H CYS 2 -8.871 2.280 -4.418 10 HA CYS 2 HA CYS 2 -6.218 2.871 -4.206 11 1HB CYS 2 2HB CYS 2 -5.989 5.091 -4.093 12 2HB CYS 2 1HB CYS 2 -7.701 5.284 -4.367 13 H ARG 3 H ARG 3 -6.113 1.208 -2.926 14 HA ARG 3 HA ARG 3 -7.761 0.927 -0.614 15 1HB ARG 3 2HB ARG 3 -5.990 -0.731 -2.178 16 2HB ARG 3 1HB ARG 3 -5.586 -0.866 -0.476 17 1HG ARG 3 2HG ARG 3 -7.551 -2.268 -1.844 18 2HG ARG 3 1HG ARG 3 -7.326 -2.198 -0.099 19 1HD ARG 3 2HD ARG 3 -8.872 -0.377 0.089 20 2HD ARG 3 1HD ARG 3 -8.993 -0.239 -1.664 21 HE ARG 3 HE ARG 3 -10.497 -1.975 -1.659 22 1HH1 ARG 3 1HH1 ARG 3 -8.853 -1.872 1.409 23 2HH1 ARG 3 2HH1 ARG 3 -9.876 -3.060 2.144 24 1HH2 ARG 3 1HH2 ARG 3 -11.854 -3.539 -0.700 25 2HH2 ARG 3 2HH2 ARG 3 -11.583 -4.006 0.946 26 H TYR 4 H TYR 4 -7.437 2.370 0.876 27 HA TYR 4 HA TYR 4 -5.080 3.708 1.480 28 1HB TYR 4 2HB TYR 4 -7.632 3.906 2.349 29 2HB TYR 4 1HB TYR 4 -6.903 3.136 3.755 30 HD1 TYR 4 1HD TYR 4 -5.982 5.873 1.372 31 HD2 TYR 4 2HD TYR 4 -6.280 4.597 5.420 32 HE1 TYR 4 1HE TYR 4 -5.139 8.059 2.117 33 HE2 TYR 4 2HE TYR 4 -5.437 6.779 6.177 34 HH TYR 4 HH TYR 4 -5.340 9.124 5.294 35 H LEU 5 H LEU 5 -4.899 3.296 4.302 36 HA LEU 5 HA LEU 5 -2.862 1.360 4.408 37 1HB LEU 5 2HB LEU 5 -3.772 3.400 6.037 38 2HB LEU 5 1HB LEU 5 -4.074 1.959 6.988 39 HG LEU 5 HG LEU 5 -1.384 2.450 5.745 40 1HD1 LEU 5 1HD1 LEU 5 -2.138 4.417 7.148 41 2HD1 LEU 5 2HD1 LEU 5 -0.638 3.630 7.642 42 3HD1 LEU 5 3HD1 LEU 5 -2.133 3.314 8.523 43 1HD2 LEU 5 1HD2 LEU 5 -2.545 0.389 7.289 44 2HD2 LEU 5 2HD2 LEU 5 -1.362 1.209 8.309 45 3HD2 LEU 5 3HD2 LEU 5 -0.873 0.542 6.752 46 H PHE 6 H PHE 6 -2.871 -0.765 4.765 47 HA PHE 6 HA PHE 6 -3.528 -2.863 5.330 48 1HB PHE 6 2HB PHE 6 -5.267 -1.201 7.076 49 2HB PHE 6 1HB PHE 6 -5.725 -2.885 6.853 50 HD1 PHE 6 1HD PHE 6 -3.973 -0.733 8.899 51 HD2 PHE 6 2HD PHE 6 -3.602 -4.539 7.033 52 HE1 PHE 6 1HE PHE 6 -2.320 -1.401 10.596 53 HE2 PHE 6 2HE PHE 6 -1.953 -5.217 8.730 54 HZ PHE 6 HZ PHE 6 -1.311 -3.645 10.514 55 H GLY 7 H GLY 7 -4.721 -1.276 3.033 56 1HA GLY 7 2HA GLY 7 -7.307 -2.585 2.707 57 2HA GLY 7 1HA GLY 7 -6.593 -1.404 1.620 58 H GLY 8 H GLY 8 -7.748 -4.254 1.364 59 1HA GLY 8 2HA GLY 8 -5.732 -6.027 0.586 60 2HA GLY 8 1HA GLY 8 -7.381 -6.046 -0.026 61 H CYS 9 H CYS 9 -4.306 -5.980 -1.024 62 HA CYS 9 HA CYS 9 -5.033 -4.674 -3.541 63 1HB CYS 9 2HB CYS 9 -2.905 -3.462 -3.624 64 2HB CYS 9 1HB CYS 9 -3.857 -2.971 -2.227 65 H LYS 10 H LYS 10 -4.340 -5.737 -5.297 66 HA LYS 10 HA LYS 10 -2.745 -8.143 -4.902 67 1HB LYS 10 2HB LYS 10 -4.455 -7.106 -7.139 68 2HB LYS 10 1HB LYS 10 -3.282 -8.380 -7.442 69 1HG LYS 10 2HG LYS 10 -5.400 -8.578 -5.318 70 2HG LYS 10 1HG LYS 10 -5.631 -9.139 -6.975 71 1HD LYS 10 2HD LYS 10 -3.201 -10.241 -6.212 72 2HD LYS 10 1HD LYS 10 -4.213 -10.385 -4.775 73 1HE LYS 10 2HE LYS 10 -5.783 -11.097 -7.031 74 2HE LYS 10 1HE LYS 10 -4.252 -11.960 -7.142 75 1HZ LYS 10 1HZ LYS 10 -6.406 -12.659 -5.605 76 2HZ LYS 10 2HZ LYS 10 -5.304 -12.016 -4.493 77 3HZ LYS 10 3HZ LYS 10 -4.844 -13.300 -5.492 78 H THR 11 H THR 11 -2.375 -4.941 -5.892 79 HA THR 11 HA THR 11 0.361 -5.476 -6.741 80 HB THR 11 HB THR 11 -0.540 -3.511 -8.528 81 HG1 THR 11 1HG THR 11 -2.216 -4.710 -9.601 82 1HG2 THR 11 1HG2 THR 11 -0.307 -5.392 -10.222 83 2HG2 THR 11 2HG2 THR 11 0.179 -6.389 -8.851 84 3HG2 THR 11 3HG2 THR 11 1.114 -4.953 -9.272 85 H THR 12 H THR 12 1.636 -3.472 -6.948 86 HA THR 12 HA THR 12 1.257 -1.797 -4.705 87 HB THR 12 HB THR 12 3.105 -1.697 -7.074 88 HG1 THR 12 1HG THR 12 4.637 -2.066 -5.383 89 1HG2 THR 12 1HG2 THR 12 2.556 0.430 -5.135 90 2HG2 THR 12 2HG2 THR 12 3.288 0.503 -6.738 91 3HG2 THR 12 3HG2 THR 12 4.256 0.012 -5.348 92 H SER 13 H SER 13 0.445 -1.573 -8.073 93 HA SER 13 HA SER 13 -0.325 1.186 -7.939 94 1HB SER 13 2HB SER 13 -1.302 0.584 -10.275 95 2HB SER 13 1HB SER 13 0.449 0.611 -10.066 96 HG SER 13 HG SER 13 -0.265 -1.279 -11.144 97 H ASP 14 H ASP 14 -1.656 -1.316 -6.508 98 HA ASP 14 HA ASP 14 -4.422 -0.756 -7.300 99 1HB ASP 14 2HB ASP 14 -3.173 -3.012 -5.733 100 2HB ASP 14 1HB ASP 14 -4.915 -2.788 -5.854 101 H CYS 15 H CYS 15 -2.297 0.466 -5.158 102 HA CYS 15 HA CYS 15 -4.368 0.877 -3.097 103 1HB CYS 15 2HB CYS 15 -1.375 1.113 -2.710 104 2HB CYS 15 1HB CYS 15 -2.608 1.178 -1.453 105 H CYS 16 H CYS 16 -3.959 2.921 -1.833 106 HA CYS 16 HA CYS 16 -4.414 5.108 -3.447 107 1HB CYS 16 2HB CYS 16 -3.463 5.107 -0.597 108 2HB CYS 16 1HB CYS 16 -4.292 6.427 -1.422 109 H LYS 17 H LYS 17 -2.675 6.974 -1.956 110 HA LYS 17 HA LYS 17 -0.552 6.956 -3.940 111 1HB LYS 17 2HB LYS 17 -1.672 9.026 -2.087 112 2HB LYS 17 1HB LYS 17 -0.098 9.268 -2.834 113 1HG LYS 17 2HG LYS 17 -0.983 9.732 -4.835 114 2HG LYS 17 1HG LYS 17 -2.202 8.463 -4.702 115 1HD LYS 17 2HD LYS 17 -3.754 9.956 -4.145 116 2HD LYS 17 1HD LYS 17 -2.762 10.539 -2.807 117 1HE LYS 17 2HE LYS 17 -1.619 11.533 -5.191 118 2HE LYS 17 1HE LYS 17 -3.356 11.808 -5.298 119 1HZ LYS 17 1HZ LYS 17 -2.280 13.676 -4.252 120 2HZ LYS 17 2HZ LYS 17 -1.578 12.677 -3.082 121 3HZ LYS 17 3HZ LYS 17 -3.256 12.888 -3.115 122 H HIS 18 H HIS 18 -0.546 7.960 -0.553 123 HA HIS 18 HA HIS 18 2.171 7.589 -0.209 124 1HB HIS 18 2HB HIS 18 -0.077 7.738 1.778 125 2HB HIS 18 1HB HIS 18 1.613 7.653 2.265 126 HD1 HIS 18 1HD HIS 18 3.146 9.680 1.241 127 HD2 HIS 18 2HD HIS 18 -0.969 10.260 1.322 128 HE1 HIS 18 1HE HIS 18 2.812 12.163 1.003 129 HE2 HIS 18 2HE HIS 18 0.314 12.486 1.005 130 H LEU 19 H LEU 19 -0.217 5.261 -0.452 131 HA LEU 19 HA LEU 19 1.201 3.327 1.205 132 1HB LEU 19 2HB LEU 19 -1.449 3.297 -0.205 133 2HB LEU 19 1HB LEU 19 -0.738 1.830 0.435 134 HG LEU 19 HG LEU 19 -0.800 4.004 2.373 135 1HD1 LEU 19 1HD1 LEU 19 -3.242 3.755 2.787 136 2HD1 LEU 19 2HD1 LEU 19 -3.368 2.967 1.215 137 3HD1 LEU 19 3HD1 LEU 19 -2.829 4.643 1.323 138 1HD2 LEU 19 1HD2 LEU 19 -2.076 1.310 2.603 139 2HD2 LEU 19 2HD2 LEU 19 -1.339 2.304 3.860 140 3HD2 LEU 19 3HD2 LEU 19 -0.323 1.501 2.666 141 H GLY 20 H GLY 20 1.700 1.213 0.420 142 1HA GLY 20 2HA GLY 20 2.065 0.931 -2.467 143 2HA GLY 20 1HA GLY 20 3.501 0.878 -1.455 144 H CYS 21 H CYS 21 1.483 -1.056 -3.053 145 HA CYS 21 HA CYS 21 0.822 -3.028 -1.151 146 1HB CYS 21 2HB CYS 21 -0.089 -2.641 -3.572 147 2HB CYS 21 1HB CYS 21 1.232 -3.708 -4.040 148 H LYS 22 H LYS 22 2.533 -3.706 0.073 149 HA LYS 22 HA LYS 22 4.980 -4.585 -1.220 150 1HB LYS 22 2HB LYS 22 4.197 -4.637 1.701 151 2HB LYS 22 1HB LYS 22 5.798 -4.974 1.059 152 1HG LYS 22 2HG LYS 22 5.927 -2.673 0.212 153 2HG LYS 22 1HG LYS 22 4.341 -2.344 0.912 154 1HD LYS 22 2HD LYS 22 5.744 -1.559 2.563 155 2HD LYS 22 1HD LYS 22 5.448 -3.212 3.109 156 1HE LYS 22 2HE LYS 22 7.624 -3.442 1.410 157 2HE LYS 22 1HE LYS 22 7.925 -1.940 2.283 158 1HZ LYS 22 1HZ LYS 22 8.847 -3.465 3.690 159 2HZ LYS 22 2HZ LYS 22 7.734 -4.681 3.311 160 3HZ LYS 22 3HZ LYS 22 7.279 -3.404 4.325 161 H PHE 23 H PHE 23 5.904 -6.736 -0.412 162 HA PHE 23 HA PHE 23 3.936 -8.768 -0.956 163 1HB PHE 23 2HB PHE 23 6.699 -9.626 -0.455 164 2HB PHE 23 1HB PHE 23 5.631 -10.000 -1.803 165 HD1 PHE 23 1HD PHE 23 8.082 -7.612 -0.483 166 HD2 PHE 23 2HD PHE 23 5.652 -8.690 -3.804 167 HE1 PHE 23 1HE PHE 23 9.347 -6.055 -1.908 168 HE2 PHE 23 2HE PHE 23 6.913 -7.137 -5.236 169 HZ PHE 23 HZ PHE 23 8.765 -5.817 -4.288 170 H ARG 24 H ARG 24 3.458 -7.680 1.491 171 HA ARG 24 HA ARG 24 4.544 -9.607 3.425 172 1HB ARG 24 2HB ARG 24 3.499 -6.829 3.648 173 2HB ARG 24 1HB ARG 24 3.256 -7.905 5.017 174 1HG ARG 24 2HG ARG 24 5.303 -7.422 5.700 175 2HG ARG 24 1HG ARG 24 5.936 -8.218 4.258 176 1HD ARG 24 2HD ARG 24 6.558 -6.276 3.366 177 2HD ARG 24 1HD ARG 24 4.969 -5.566 3.648 178 HE ARG 24 HE ARG 24 5.794 -4.549 5.529 179 1HH1 ARG 24 1HH1 ARG 24 8.012 -7.026 4.496 180 2HH1 ARG 24 2HH1 ARG 24 9.257 -6.556 5.606 181 1HH2 ARG 24 1HH2 ARG 24 7.430 -3.916 6.988 182 2HH2 ARG 24 2HH2 ARG 24 8.926 -4.789 7.022 183 H ASP 25 H ASP 25 1.550 -7.867 3.899 184 HA ASP 25 HA ASP 25 0.121 -10.443 3.873 185 1HB ASP 25 2HB ASP 25 -0.549 -7.910 5.389 186 2HB ASP 25 1HB ASP 25 -1.481 -9.403 5.433 187 H LYS 26 H LYS 26 0.468 -9.326 1.457 188 HA LYS 26 HA LYS 26 -0.519 -8.294 -0.341 189 1HB LYS 26 2HB LYS 26 -2.860 -9.195 -0.709 190 2HB LYS 26 1HB LYS 26 -1.592 -10.390 -0.478 191 1HG LYS 26 2HG LYS 26 -2.350 -10.980 1.630 192 2HG LYS 26 1HG LYS 26 -3.245 -9.472 1.837 193 1HD LYS 26 2HD LYS 26 -5.071 -10.279 0.811 194 2HD LYS 26 1HD LYS 26 -4.124 -11.066 -0.454 195 1HE LYS 26 2HE LYS 26 -3.818 -12.998 0.808 196 2HE LYS 26 1HE LYS 26 -4.195 -12.181 2.325 197 1HZ LYS 26 1HZ LYS 26 -5.913 -13.716 0.925 198 2HZ LYS 26 2HZ LYS 26 -6.354 -12.163 0.415 199 3HZ LYS 26 3HZ LYS 26 -6.370 -12.547 2.061 200 H TYR 27 H TYR 27 -0.573 -6.600 2.037 201 HA TYR 27 HA TYR 27 -3.073 -5.131 1.519 202 1HB TYR 27 2HB TYR 27 -2.630 -4.024 3.753 203 2HB TYR 27 1HB TYR 27 -3.077 -5.716 3.814 204 HD1 TYR 27 1HD TYR 27 0.310 -5.001 2.741 205 HD2 TYR 27 2HD TYR 27 -2.166 -5.692 6.132 206 HE1 TYR 27 1HE TYR 27 2.305 -5.453 4.100 207 HE2 TYR 27 2HE TYR 27 -0.174 -6.148 7.499 208 HH TYR 27 HH TYR 27 2.089 -5.966 7.575 209 H CYS 28 H CYS 28 -2.489 -2.692 2.518 210 HA CYS 28 HA CYS 28 -0.280 -1.789 0.794 211 1HB CYS 28 2HB CYS 28 -2.689 -0.149 1.574 212 2HB CYS 28 1HB CYS 28 -1.510 0.192 0.313 213 H ALA 29 H ALA 29 1.359 -0.781 1.746 214 HA ALA 29 HA ALA 29 0.928 0.417 4.407 215 1HB ALA 29 1HB ALA 29 2.178 -1.782 4.419 216 2HB ALA 29 2HB ALA 29 2.989 -0.422 5.195 217 3HB ALA 29 3HB ALA 29 3.483 -0.940 3.584 218 H TRP 30 H TRP 30 2.013 2.331 4.850 219 HA TRP 30 HA TRP 30 2.359 4.192 2.914 220 1HB TRP 30 2HB TRP 30 3.951 3.989 5.476 221 2HB TRP 30 1HB TRP 30 3.838 5.432 4.476 222 HD1 TRP 30 HD TRP 30 2.679 4.644 7.593 223 HE1 TRP 30 1HE TRP 30 0.309 5.496 8.119 224 HE3 TRP 30 3HE TRP 30 1.036 5.478 2.822 225 HZ2 TRP 30 2HZ TRP 30 -1.954 6.402 6.703 226 HZ3 TRP 30 3HZ TRP 30 -1.246 6.338 2.497 227 HH2 TRP 30 HH TRP 30 -2.709 6.789 4.398 228 H ASP 31 H ASP 31 4.032 5.049 1.714 229 HA ASP 31 HA ASP 31 6.086 5.172 0.684 230 1HB ASP 31 2HB ASP 31 6.778 3.936 3.002 231 2HB ASP 31 1HB ASP 31 7.196 2.692 1.828 232 H PHE 32 H PHE 32 5.299 4.721 -1.319 233 HA PHE 32 HA PHE 32 4.802 2.007 -2.118 234 1HB PHE 32 2HB PHE 32 4.188 3.027 -4.317 235 2HB PHE 32 1HB PHE 32 3.253 3.634 -2.957 236 HD1 PHE 32 1HD PHE 32 3.823 5.879 -1.995 237 HD2 PHE 32 2HD PHE 32 5.464 4.470 -5.661 238 HE1 PHE 32 1HE PHE 32 4.416 8.186 -2.611 239 HE2 PHE 32 2HE PHE 32 6.061 6.776 -6.282 240 HZ PHE 32 HZ PHE 32 5.538 8.637 -4.756 241 H THR 33 H THR 33 7.338 2.036 -1.406 242 HA THR 33 HA THR 33 8.882 2.257 -3.899 243 HB THR 33 HB THR 33 10.238 1.961 -1.263 244 HG1 THR 33 1HG THR 33 10.082 4.209 -0.939 245 1HG2 THR 33 1HG2 THR 33 11.712 3.735 -2.351 246 2HG2 THR 33 2HG2 THR 33 10.838 3.361 -3.838 247 3HG2 THR 33 3HG2 THR 33 11.759 2.102 -3.015 248 H PHE 34 H PHE 34 7.724 0.157 -1.477 249 HA PHE 34 HA PHE 34 8.078 -2.059 -0.989 250 1HB PHE 34 2HB PHE 34 7.934 -3.495 -3.056 251 2HB PHE 34 1HB PHE 34 6.661 -2.290 -2.897 252 HD1 PHE 34 1HD PHE 34 9.959 -2.861 -4.518 253 HD2 PHE 34 2HD PHE 34 6.218 -0.835 -4.640 254 HE1 PHE 34 1HE PHE 34 10.504 -1.995 -6.756 255 HE2 PHE 34 2HE PHE 34 6.757 0.035 -6.878 256 HZ PHE 34 HZ PHE 34 8.902 -0.545 -7.940 257 H SER 35 H SER 35 9.419 -4.112 -2.118 258 HA SER 35 HA SER 35 12.179 -3.296 -2.563 259 1HB SER 35 2HB SER 35 13.025 -4.777 -0.778 260 2HB SER 35 1HB SER 35 12.023 -3.479 -0.124 261 HG SER 35 HG SER 35 10.284 -5.231 -0.427 Start of MODEL 8 1 HA GLU 1 HA GLU 1 -11.190 3.124 -5.159 2 1HB GLU 1 2HB GLU 1 -12.449 1.115 -5.826 3 2HB GLU 1 1HB GLU 1 -11.026 0.126 -5.537 4 1HG GLU 1 2HG GLU 1 -11.140 0.443 -3.220 5 2HG GLU 1 1HG GLU 1 -12.252 1.801 -3.376 6 1HT GLU 1 1HT GLU 1 -10.367 3.338 -7.171 7 2HT GLU 1 2HT GLU 1 -11.104 1.810 -7.426 8 3HT GLU 1 3HT GLU 1 -9.428 1.909 -7.075 9 H CYS 2 H CYS 2 -8.778 3.904 -5.284 10 HA CYS 2 HA CYS 2 -6.584 2.498 -4.503 11 1HB CYS 2 2HB CYS 2 -5.635 4.500 -4.105 12 2HB CYS 2 1HB CYS 2 -7.106 5.117 -4.825 13 H ARG 3 H ARG 3 -6.235 1.136 -3.016 14 HA ARG 3 HA ARG 3 -7.816 0.990 -0.639 15 1HB ARG 3 2HB ARG 3 -6.099 -0.755 -2.172 16 2HB ARG 3 1HB ARG 3 -5.660 -0.816 -0.473 17 1HG ARG 3 2HG ARG 3 -7.621 -2.304 -1.686 18 2HG ARG 3 1HG ARG 3 -7.454 -2.041 0.048 19 1HD ARG 3 2HD ARG 3 -9.072 -0.351 0.062 20 2HD ARG 3 1HD ARG 3 -8.980 -0.126 -1.683 21 HE ARG 3 HE ARG 3 -10.535 -1.781 -1.930 22 1HH1 ARG 3 1HH1 ARG 3 -9.109 -2.057 1.235 23 2HH1 ARG 3 2HH1 ARG 3 -10.201 -3.295 1.761 24 1HH2 ARG 3 1HH2 ARG 3 -11.982 -3.406 -1.245 25 2HH2 ARG 3 2HH2 ARG 3 -11.833 -4.061 0.352 26 H TYR 4 H TYR 4 -7.440 2.367 0.883 27 HA TYR 4 HA TYR 4 -5.046 3.728 1.356 28 1HB TYR 4 2HB TYR 4 -7.537 4.027 2.286 29 2HB TYR 4 1HB TYR 4 -6.841 3.185 3.668 30 HD1 TYR 4 1HD TYR 4 -6.605 4.801 5.331 31 HD2 TYR 4 2HD TYR 4 -5.310 5.689 1.377 32 HE1 TYR 4 1HE TYR 4 -5.630 6.913 6.130 33 HE2 TYR 4 2HE TYR 4 -4.332 7.802 2.163 34 HH TYR 4 HH TYR 4 -3.608 8.886 4.105 35 H LEU 5 H LEU 5 -4.737 3.331 4.180 36 HA LEU 5 HA LEU 5 -2.816 1.235 4.163 37 1HB LEU 5 2HB LEU 5 -2.779 3.356 5.575 38 2HB LEU 5 1HB LEU 5 -3.925 2.549 6.630 39 HG LEU 5 HG LEU 5 -2.183 0.679 6.822 40 1HD1 LEU 5 1HD1 LEU 5 0.164 1.532 6.504 41 2HD1 LEU 5 2HD1 LEU 5 -0.528 2.848 5.556 42 3HD1 LEU 5 3HD1 LEU 5 -0.728 1.178 5.024 43 1HD2 LEU 5 1HD2 LEU 5 -1.387 3.352 7.953 44 2HD2 LEU 5 2HD2 LEU 5 -1.095 1.755 8.643 45 3HD2 LEU 5 3HD2 LEU 5 -2.737 2.395 8.561 46 H PHE 6 H PHE 6 -3.011 -0.845 4.582 47 HA PHE 6 HA PHE 6 -3.773 -2.802 5.513 48 1HB PHE 6 2HB PHE 6 -4.843 -0.924 7.255 49 2HB PHE 6 1HB PHE 6 -6.250 -1.836 6.716 50 HD1 PHE 6 1HD PHE 6 -4.680 -4.459 6.289 51 HD2 PHE 6 2HD PHE 6 -4.906 -1.694 9.516 52 HE1 PHE 6 1HE PHE 6 -4.118 -6.261 7.866 53 HE2 PHE 6 2HE PHE 6 -4.345 -3.490 11.099 54 HZ PHE 6 HZ PHE 6 -3.951 -5.778 10.276 55 H GLY 7 H GLY 7 -4.768 -1.305 3.029 56 1HA GLY 7 2HA GLY 7 -7.340 -2.665 2.647 57 2HA GLY 7 1HA GLY 7 -6.683 -1.398 1.622 58 H GLY 8 H GLY 8 -7.510 -4.493 1.537 59 1HA GLY 8 2HA GLY 8 -5.421 -6.016 0.606 60 2HA GLY 8 1HA GLY 8 -7.072 -6.166 0.022 61 H CYS 9 H CYS 9 -4.130 -6.037 -1.118 62 HA CYS 9 HA CYS 9 -4.961 -4.694 -3.573 63 1HB CYS 9 2HB CYS 9 -2.738 -3.538 -3.723 64 2HB CYS 9 1HB CYS 9 -3.797 -2.920 -2.460 65 H LYS 10 H LYS 10 -4.328 -5.747 -5.361 66 HA LYS 10 HA LYS 10 -2.842 -8.200 -5.071 67 1HB LYS 10 2HB LYS 10 -4.691 -7.092 -6.973 68 2HB LYS 10 1HB LYS 10 -3.246 -7.641 -7.810 69 1HG LYS 10 2HG LYS 10 -3.728 -9.801 -7.481 70 2HG LYS 10 1HG LYS 10 -4.281 -9.532 -5.828 71 1HD LYS 10 2HD LYS 10 -6.404 -9.603 -6.491 72 2HD LYS 10 1HD LYS 10 -6.114 -8.316 -7.661 73 1HE LYS 10 2HE LYS 10 -6.683 -9.926 -9.142 74 2HE LYS 10 1HE LYS 10 -4.985 -10.370 -8.966 75 1HZ LYS 10 1HZ LYS 10 -6.946 -12.103 -8.663 76 2HZ LYS 10 2HZ LYS 10 -6.862 -11.547 -7.068 77 3HZ LYS 10 3HZ LYS 10 -5.493 -12.223 -7.800 78 H THR 11 H THR 11 -2.231 -4.971 -5.949 79 HA THR 11 HA THR 11 0.585 -5.549 -6.314 80 HB THR 11 HB THR 11 0.618 -5.354 -8.535 81 HG1 THR 11 1HG THR 11 0.183 -3.297 -9.437 82 1HG2 THR 11 1HG2 THR 11 -2.188 -4.316 -8.659 83 2HG2 THR 11 2HG2 THR 11 -1.816 -6.030 -8.467 84 3HG2 THR 11 3HG2 THR 11 -1.273 -5.165 -9.905 85 H THR 12 H THR 12 1.643 -3.270 -6.943 86 HA THR 12 HA THR 12 1.114 -1.604 -4.676 87 HB THR 12 HB THR 12 3.046 -1.510 -6.966 88 HG1 THR 12 1HG THR 12 3.564 -2.746 -5.135 89 1HG2 THR 12 1HG2 THR 12 2.381 0.736 -5.120 90 2HG2 THR 12 2HG2 THR 12 2.713 0.766 -6.852 91 3HG2 THR 12 3HG2 THR 12 4.029 0.508 -5.706 92 H SER 13 H SER 13 0.236 -1.594 -8.030 93 HA SER 13 HA SER 13 -0.655 1.128 -8.037 94 1HB SER 13 2HB SER 13 0.238 -0.041 -10.071 95 2HB SER 13 1HB SER 13 -1.229 -1.018 -10.083 96 HG SER 13 HG SER 13 -1.241 0.917 -11.441 97 H ASP 14 H ASP 14 -1.823 -1.413 -6.481 98 HA ASP 14 HA ASP 14 -4.642 -0.938 -7.133 99 1HB ASP 14 2HB ASP 14 -3.136 -3.191 -5.882 100 2HB ASP 14 1HB ASP 14 -4.817 -2.957 -5.414 101 H CYS 15 H CYS 15 -2.600 0.630 -5.333 102 HA CYS 15 HA CYS 15 -4.483 0.928 -3.093 103 1HB CYS 15 2HB CYS 15 -1.482 1.233 -2.877 104 2HB CYS 15 1HB CYS 15 -2.644 1.276 -1.556 105 H CYS 16 H CYS 16 -3.659 3.007 -1.823 106 HA CYS 16 HA CYS 16 -4.281 5.188 -3.535 107 1HB CYS 16 2HB CYS 16 -3.489 5.195 -0.639 108 2HB CYS 16 1HB CYS 16 -4.256 6.521 -1.515 109 H LYS 17 H LYS 17 -2.617 7.067 -1.968 110 HA LYS 17 HA LYS 17 -0.438 7.091 -3.885 111 1HB LYS 17 2HB LYS 17 -0.695 9.261 -1.883 112 2HB LYS 17 1HB LYS 17 -0.355 9.352 -3.607 113 1HG LYS 17 2HG LYS 17 -2.438 10.119 -3.796 114 2HG LYS 17 1HG LYS 17 -2.936 8.442 -3.571 115 1HD LYS 17 2HD LYS 17 -3.311 8.774 -1.250 116 2HD LYS 17 1HD LYS 17 -2.510 10.347 -1.277 117 1HE LYS 17 2HE LYS 17 -4.469 10.693 -3.137 118 2HE LYS 17 1HE LYS 17 -5.258 9.608 -1.995 119 1HZ LYS 17 1HZ LYS 17 -4.772 11.151 -0.219 120 2HZ LYS 17 2HZ LYS 17 -5.622 11.944 -1.448 121 3HZ LYS 17 3HZ LYS 17 -3.955 12.181 -1.286 122 H HIS 18 H HIS 18 -0.529 8.021 -0.480 123 HA HIS 18 HA HIS 18 2.178 7.669 -0.057 124 1HB HIS 18 2HB HIS 18 -0.194 7.896 1.726 125 2HB HIS 18 1HB HIS 18 1.357 7.456 2.435 126 HD1 HIS 18 1HD HIS 18 2.124 9.539 3.559 127 HD2 HIS 18 2HD HIS 18 0.688 10.264 -0.271 128 HE1 HIS 18 1HE HIS 18 2.591 11.969 3.116 129 HE2 HIS 18 2HE HIS 18 1.691 12.393 0.801 130 H LEU 19 H LEU 19 -0.173 5.334 -0.478 131 HA LEU 19 HA LEU 19 1.209 3.337 1.127 132 1HB LEU 19 2HB LEU 19 -1.404 3.360 -0.340 133 2HB LEU 19 1HB LEU 19 -0.721 1.880 0.307 134 HG LEU 19 HG LEU 19 -0.797 4.073 2.234 135 1HD1 LEU 19 1HD1 LEU 19 -3.260 3.773 2.613 136 2HD1 LEU 19 2HD1 LEU 19 -3.333 3.038 1.012 137 3HD1 LEU 19 3HD1 LEU 19 -2.812 4.713 1.191 138 1HD2 LEU 19 1HD2 LEU 19 -1.355 2.381 3.725 139 2HD2 LEU 19 2HD2 LEU 19 -0.304 1.581 2.557 140 3HD2 LEU 19 3HD2 LEU 19 -2.052 1.368 2.464 141 H GLY 20 H GLY 20 1.995 1.438 0.379 142 1HA GLY 20 2HA GLY 20 2.306 1.091 -2.520 143 2HA GLY 20 1HA GLY 20 3.732 1.073 -1.487 144 H CYS 21 H CYS 21 1.624 -0.885 -3.035 145 HA CYS 21 HA CYS 21 1.144 -2.862 -1.056 146 1HB CYS 21 2HB CYS 21 -0.099 -2.440 -3.297 147 2HB CYS 21 1HB CYS 21 1.169 -3.442 -3.993 148 H LYS 22 H LYS 22 2.328 -4.597 -0.458 149 HA LYS 22 HA LYS 22 5.040 -4.775 -1.464 150 1HB LYS 22 2HB LYS 22 3.767 -6.571 0.593 151 2HB LYS 22 1HB LYS 22 5.476 -6.239 0.363 152 1HG LYS 22 2HG LYS 22 5.302 -4.108 1.307 153 2HG LYS 22 1HG LYS 22 3.545 -4.078 1.136 154 1HD LYS 22 2HD LYS 22 3.998 -6.304 2.704 155 2HD LYS 22 1HD LYS 22 5.198 -5.148 3.284 156 1HE LYS 22 2HE LYS 22 3.013 -3.562 3.099 157 2HE LYS 22 1HE LYS 22 2.262 -5.106 3.494 158 1HZ LYS 22 1HZ LYS 22 2.949 -3.615 5.413 159 2HZ LYS 22 2HZ LYS 22 4.542 -4.050 5.053 160 3HZ LYS 22 3HZ LYS 22 3.422 -5.237 5.498 161 H PHE 23 H PHE 23 5.972 -6.793 -2.198 162 HA PHE 23 HA PHE 23 4.960 -7.922 -4.375 163 1HB PHE 23 2HB PHE 23 6.901 -8.766 -2.406 164 2HB PHE 23 1HB PHE 23 6.073 -10.157 -3.099 165 HD1 PHE 23 1HD PHE 23 6.227 -10.635 -5.483 166 HD2 PHE 23 2HD PHE 23 8.372 -7.405 -3.727 167 HE1 PHE 23 1HE PHE 23 7.647 -10.494 -7.486 168 HE2 PHE 23 2HE PHE 23 9.797 -7.260 -5.728 169 HZ PHE 23 HZ PHE 23 9.434 -8.805 -7.612 170 H ARG 24 H ARG 24 2.748 -8.165 -4.415 171 HA ARG 24 HA ARG 24 0.670 -9.015 -3.858 172 1HB ARG 24 2HB ARG 24 2.506 -11.128 -4.772 173 2HB ARG 24 1HB ARG 24 1.043 -11.712 -3.991 174 1HG ARG 24 2HG ARG 24 0.011 -11.477 -5.935 175 2HG ARG 24 1HG ARG 24 0.175 -9.730 -5.744 176 1HD ARG 24 2HD ARG 24 1.814 -9.593 -7.280 177 2HD ARG 24 1HD ARG 24 2.576 -11.089 -6.745 178 HE ARG 24 HE ARG 24 0.533 -10.796 -8.792 179 1HH1 ARG 24 1HH1 ARG 24 2.391 -12.946 -6.770 180 2HH1 ARG 24 2HH1 ARG 24 2.125 -14.328 -7.778 181 1HH2 ARG 24 1HH2 ARG 24 0.181 -12.611 -10.123 182 2HH2 ARG 24 2HH2 ARG 24 0.869 -14.139 -9.682 183 H ASP 25 H ASP 25 2.135 -8.404 -1.487 184 HA ASP 25 HA ASP 25 2.167 -10.493 0.380 185 1HB ASP 25 2HB ASP 25 2.207 -7.536 0.498 186 2HB ASP 25 1HB ASP 25 1.704 -8.365 1.968 187 H LYS 26 H LYS 26 -0.143 -7.799 0.636 188 HA LYS 26 HA LYS 26 -2.473 -9.349 0.423 189 1HB LYS 26 2HB LYS 26 -1.727 -10.450 2.441 190 2HB LYS 26 1HB LYS 26 -1.484 -8.902 3.241 191 1HG LYS 26 2HG LYS 26 -3.719 -8.577 3.594 192 2HG LYS 26 1HG LYS 26 -4.194 -9.557 2.205 193 1HD LYS 26 2HD LYS 26 -4.765 -10.685 4.284 194 2HD LYS 26 1HD LYS 26 -3.518 -11.582 3.413 195 1HE LYS 26 2HE LYS 26 -1.837 -10.909 4.895 196 2HE LYS 26 1HE LYS 26 -2.813 -9.590 5.544 197 1HZ LYS 26 1HZ LYS 26 -3.490 -12.456 5.903 198 2HZ LYS 26 2HZ LYS 26 -4.196 -11.129 6.678 199 3HZ LYS 26 3HZ LYS 26 -2.598 -11.559 7.026 200 H TYR 27 H TYR 27 -1.182 -6.699 2.450 201 HA TYR 27 HA TYR 27 -3.433 -5.055 1.492 202 1HB TYR 27 2HB TYR 27 -3.231 -3.795 3.639 203 2HB TYR 27 1HB TYR 27 -3.734 -5.466 3.836 204 HD1 TYR 27 1HD TYR 27 -2.049 -7.161 4.630 205 HD2 TYR 27 2HD TYR 27 -1.266 -2.980 4.656 206 HE1 TYR 27 1HE TYR 27 -0.215 -7.519 6.228 207 HE2 TYR 27 2HE TYR 27 0.573 -3.327 6.248 208 HH TYR 27 HH TYR 27 1.275 -6.535 7.572 209 H CYS 28 H CYS 28 -2.750 -2.625 2.302 210 HA CYS 28 HA CYS 28 -0.338 -2.049 0.726 211 1HB CYS 28 2HB CYS 28 -2.525 -0.112 1.476 212 2HB CYS 28 1HB CYS 28 -1.303 0.081 0.223 213 H ALA 29 H ALA 29 1.371 -1.019 1.610 214 HA ALA 29 HA ALA 29 1.069 -0.021 4.370 215 1HB ALA 29 1HB ALA 29 3.490 -1.372 3.187 216 2HB ALA 29 2HB ALA 29 2.349 -2.105 4.315 217 3HB ALA 29 3HB ALA 29 3.346 -0.743 4.828 218 H TRP 30 H TRP 30 2.048 1.893 4.896 219 HA TRP 30 HA TRP 30 2.271 3.905 3.090 220 1HB TRP 30 2HB TRP 30 3.796 3.534 5.669 221 2HB TRP 30 1HB TRP 30 3.811 5.036 4.750 222 HD1 TRP 30 HD TRP 30 2.373 4.065 7.740 223 HE1 TRP 30 1HE TRP 30 0.019 5.020 8.148 224 HE3 TRP 30 3HE TRP 30 1.186 5.395 2.944 225 HZ2 TRP 30 2HZ TRP 30 -2.063 6.183 6.641 226 HZ3 TRP 30 3HZ TRP 30 -1.007 6.421 2.514 227 HH2 TRP 30 HH TRP 30 -2.598 6.807 4.327 228 H ASP 31 H ASP 31 3.965 4.982 2.040 229 HA ASP 31 HA ASP 31 6.261 5.201 1.386 230 1HB ASP 31 2HB ASP 31 6.977 3.206 2.685 231 2HB ASP 31 1HB ASP 31 6.325 2.182 1.409 232 H PHE 32 H PHE 32 5.330 6.090 -0.390 233 HA PHE 32 HA PHE 32 3.921 4.780 -2.385 234 1HB PHE 32 2HB PHE 32 4.044 7.240 -2.136 235 2HB PHE 32 1HB PHE 32 5.707 7.195 -2.715 236 HD1 PHE 32 1HD PHE 32 5.825 8.120 -4.815 237 HD2 PHE 32 2HD PHE 32 2.569 5.544 -3.875 238 HE1 PHE 32 1HE PHE 32 5.023 8.289 -7.135 239 HE2 PHE 32 2HE PHE 32 1.765 5.707 -6.194 240 HZ PHE 32 HZ PHE 32 2.992 7.082 -7.827 241 H THR 33 H THR 33 4.461 3.692 -4.196 242 HA THR 33 HA THR 33 5.701 2.563 -5.737 243 HB THR 33 HB THR 33 7.771 3.385 -6.444 244 HG1 THR 33 1HG THR 33 9.052 4.725 -4.978 245 1HG2 THR 33 1HG2 THR 33 5.850 5.333 -5.677 246 2HG2 THR 33 2HG2 THR 33 7.003 5.371 -7.011 247 3HG2 THR 33 3HG2 THR 33 7.467 5.990 -5.427 248 H PHE 34 H PHE 34 8.347 1.625 -5.589 249 HA PHE 34 HA PHE 34 8.925 0.437 -3.077 250 1HB PHE 34 2HB PHE 34 7.182 -1.076 -3.302 251 2HB PHE 34 1HB PHE 34 7.305 -1.118 -5.058 252 HD1 PHE 34 1HD PHE 34 8.631 -2.729 -6.152 253 HD2 PHE 34 2HD PHE 34 8.859 -2.299 -1.926 254 HE1 PHE 34 1HE PHE 34 9.927 -4.814 -6.014 255 HE2 PHE 34 2HE PHE 34 10.158 -4.383 -1.779 256 HZ PHE 34 HZ PHE 34 10.694 -5.644 -3.825 257 H SER 35 H SER 35 9.106 -0.755 -6.433 258 HA SER 35 HA SER 35 10.886 -1.006 -7.846 259 1HB SER 35 2HB SER 35 12.871 0.136 -5.949 260 2HB SER 35 1HB SER 35 12.680 0.408 -7.679 261 HG SER 35 HG SER 35 11.520 1.719 -5.535 Start of MODEL 9 1 HA GLU 1 HA GLU 1 -9.555 2.648 -7.225 2 1HB GLU 1 2HB GLU 1 -11.903 3.676 -7.303 3 2HB GLU 1 1HB GLU 1 -11.475 4.489 -5.805 4 1HG GLU 1 2HG GLU 1 -10.394 6.067 -6.909 5 2HG GLU 1 1HG GLU 1 -9.396 4.868 -7.732 6 1HT GLU 1 1HT GLU 1 -11.043 1.725 -4.936 7 2HT GLU 1 2HT GLU 1 -10.483 0.881 -6.324 8 3HT GLU 1 3HT GLU 1 -11.903 1.842 -6.414 9 H CYS 2 H CYS 2 -7.865 1.960 -5.794 10 HA CYS 2 HA CYS 2 -6.125 2.546 -4.424 11 1HB CYS 2 2HB CYS 2 -5.902 4.751 -4.204 12 2HB CYS 2 1HB CYS 2 -7.569 4.976 -4.664 13 H ARG 3 H ARG 3 -5.565 1.827 -2.516 14 HA ARG 3 HA ARG 3 -7.630 1.267 -0.553 15 1HB ARG 3 2HB ARG 3 -5.914 -0.556 -1.995 16 2HB ARG 3 1HB ARG 3 -5.627 -0.682 -0.265 17 1HG ARG 3 2HG ARG 3 -7.522 -2.070 -1.576 18 2HG ARG 3 1HG ARG 3 -7.632 -1.637 0.132 19 1HD ARG 3 2HD ARG 3 -9.076 0.140 -0.283 20 2HD ARG 3 1HD ARG 3 -8.639 0.215 -1.988 21 HE ARG 3 HE ARG 3 -10.117 -2.106 -0.937 22 1HH1 ARG 3 1HH1 ARG 3 -9.973 0.656 -3.085 23 2HH1 ARG 3 2HH1 ARG 3 -11.374 0.177 -3.978 24 1HH2 ARG 3 1HH2 ARG 3 -11.959 -2.714 -2.117 25 2HH2 ARG 3 2HH2 ARG 3 -12.498 -1.725 -3.433 26 H TYR 4 H TYR 4 -7.307 2.620 0.965 27 HA TYR 4 HA TYR 4 -4.905 3.841 1.653 28 1HB TYR 4 2HB TYR 4 -7.534 4.003 2.534 29 2HB TYR 4 1HB TYR 4 -6.652 3.457 3.957 30 HD1 TYR 4 1HD TYR 4 -5.936 5.866 1.189 31 HD2 TYR 4 2HD TYR 4 -6.146 5.197 5.385 32 HE1 TYR 4 1HE TYR 4 -5.175 8.170 1.586 33 HE2 TYR 4 2HE TYR 4 -5.388 7.502 5.794 34 HH TYR 4 HH TYR 4 -4.973 9.503 4.854 35 H LEU 5 H LEU 5 -4.611 3.449 4.407 36 HA LEU 5 HA LEU 5 -2.788 1.335 4.507 37 1HB LEU 5 2HB LEU 5 -3.314 3.431 6.099 38 2HB LEU 5 1HB LEU 5 -4.067 2.161 7.044 39 HG LEU 5 HG LEU 5 -1.816 2.494 7.827 40 1HD1 LEU 5 1HD1 LEU 5 -1.194 0.295 7.945 41 2HD1 LEU 5 2HD1 LEU 5 -1.530 -0.006 6.239 42 3HD1 LEU 5 3HD1 LEU 5 -2.860 0.124 7.390 43 1HD2 LEU 5 1HD2 LEU 5 -0.552 1.608 5.307 44 2HD2 LEU 5 2HD2 LEU 5 0.018 2.749 6.526 45 3HD2 LEU 5 3HD2 LEU 5 -1.181 3.255 5.336 46 H PHE 6 H PHE 6 -2.959 -0.793 4.855 47 HA PHE 6 HA PHE 6 -3.785 -2.811 5.570 48 1HB PHE 6 2HB PHE 6 -4.905 -1.072 7.367 49 2HB PHE 6 1HB PHE 6 -6.329 -1.822 6.658 50 HD1 PHE 6 1HD PHE 6 -7.173 -3.531 7.915 51 HD2 PHE 6 2HD PHE 6 -2.953 -3.002 7.745 52 HE1 PHE 6 1HE PHE 6 -6.873 -5.481 9.384 53 HE2 PHE 6 2HE PHE 6 -2.646 -4.953 9.212 54 HZ PHE 6 HZ PHE 6 -4.608 -6.195 10.035 55 H GLY 7 H GLY 7 -4.760 -1.095 3.148 56 1HA GLY 7 2HA GLY 7 -7.289 -2.412 2.563 57 2HA GLY 7 1HA GLY 7 -6.486 -1.210 1.563 58 H GLY 8 H GLY 8 -7.481 -4.267 1.490 59 1HA GLY 8 2HA GLY 8 -5.333 -5.842 0.682 60 2HA GLY 8 1HA GLY 8 -6.988 -6.057 0.132 61 H CYS 9 H CYS 9 -4.060 -5.910 -1.055 62 HA CYS 9 HA CYS 9 -4.947 -4.595 -3.522 63 1HB CYS 9 2HB CYS 9 -2.615 -3.647 -3.764 64 2HB CYS 9 1HB CYS 9 -3.609 -2.902 -2.517 65 H LYS 10 H LYS 10 -4.286 -5.554 -5.386 66 HA LYS 10 HA LYS 10 -3.035 -8.160 -5.133 67 1HB LYS 10 2HB LYS 10 -4.492 -6.721 -7.322 68 2HB LYS 10 1HB LYS 10 -3.495 -8.119 -7.707 69 1HG LYS 10 2HG LYS 10 -5.198 -8.717 -5.478 70 2HG LYS 10 1HG LYS 10 -6.152 -8.095 -6.825 71 1HD LYS 10 2HD LYS 10 -6.015 -10.087 -7.799 72 2HD LYS 10 1HD LYS 10 -4.267 -9.879 -7.922 73 1HE LYS 10 2HE LYS 10 -3.879 -11.372 -6.308 74 2HE LYS 10 1HE LYS 10 -5.101 -10.664 -5.253 75 1HZ LYS 10 1HZ LYS 10 -5.678 -12.921 -5.802 76 2HZ LYS 10 2HZ LYS 10 -5.593 -12.591 -7.458 77 3HZ LYS 10 3HZ LYS 10 -6.797 -11.872 -6.514 78 H THR 11 H THR 11 -2.264 -4.977 -6.043 79 HA THR 11 HA THR 11 0.499 -5.719 -6.521 80 HB THR 11 HB THR 11 0.451 -5.475 -8.741 81 HG1 THR 11 1HG THR 11 0.913 -3.492 -9.139 82 1HG2 THR 11 1HG2 THR 11 -2.399 -4.894 -8.243 83 2HG2 THR 11 2HG2 THR 11 -1.648 -6.090 -9.301 84 3HG2 THR 11 3HG2 THR 11 -1.729 -4.398 -9.797 85 H THR 12 H THR 12 1.657 -3.478 -7.142 86 HA THR 12 HA THR 12 1.287 -1.844 -4.818 87 HB THR 12 HB THR 12 3.147 -1.770 -7.172 88 HG1 THR 12 1HG THR 12 3.248 -2.865 -4.828 89 1HG2 THR 12 1HG2 THR 12 2.776 0.380 -5.121 90 2HG2 THR 12 2HG2 THR 12 2.832 0.530 -6.877 91 3HG2 THR 12 3HG2 THR 12 4.297 0.132 -5.979 92 H SER 13 H SER 13 0.348 -1.703 -8.155 93 HA SER 13 HA SER 13 -0.431 1.057 -8.042 94 1HB SER 13 2HB SER 13 0.007 0.790 -10.230 95 2HB SER 13 1HB SER 13 -0.111 -0.966 -10.112 96 HG SER 13 HG SER 13 -1.766 -0.313 -11.416 97 H ASP 14 H ASP 14 -1.694 -1.444 -6.562 98 HA ASP 14 HA ASP 14 -4.485 -0.931 -7.293 99 1HB ASP 14 2HB ASP 14 -3.088 -3.158 -5.846 100 2HB ASP 14 1HB ASP 14 -4.818 -2.915 -5.631 101 H CYS 15 H CYS 15 -2.287 0.330 -5.221 102 HA CYS 15 HA CYS 15 -4.292 0.749 -3.110 103 1HB CYS 15 2HB CYS 15 -1.309 1.186 -2.858 104 2HB CYS 15 1HB CYS 15 -2.497 1.198 -1.561 105 H CYS 16 H CYS 16 -3.762 2.876 -1.891 106 HA CYS 16 HA CYS 16 -4.372 4.995 -3.636 107 1HB CYS 16 2HB CYS 16 -3.592 5.165 -0.745 108 2HB CYS 16 1HB CYS 16 -4.535 6.336 -1.665 109 H LYS 17 H LYS 17 -2.829 6.955 -2.037 110 HA LYS 17 HA LYS 17 -0.591 7.056 -3.887 111 1HB LYS 17 2HB LYS 17 -2.039 9.017 -2.191 112 2HB LYS 17 1HB LYS 17 -0.359 9.365 -2.570 113 1HG LYS 17 2HG LYS 17 -1.425 8.646 -5.009 114 2HG LYS 17 1HG LYS 17 -2.723 9.558 -4.238 115 1HD LYS 17 2HD LYS 17 -1.624 11.497 -4.443 116 2HD LYS 17 1HD LYS 17 -0.103 10.789 -3.895 117 1HE LYS 17 2HE LYS 17 0.148 11.587 -6.158 118 2HE LYS 17 1HE LYS 17 0.223 9.826 -6.142 119 1HZ LYS 17 1HZ LYS 17 -2.369 11.108 -6.616 120 2HZ LYS 17 2HZ LYS 17 -1.774 9.637 -7.198 121 3HZ LYS 17 3HZ LYS 17 -1.240 11.090 -7.876 122 H HIS 18 H HIS 18 -0.849 7.979 -0.482 123 HA HIS 18 HA HIS 18 1.854 7.797 0.040 124 1HB HIS 18 2HB HIS 18 -0.541 7.696 1.844 125 2HB HIS 18 1HB HIS 18 1.102 7.666 2.477 126 HD1 HIS 18 1HD HIS 18 1.133 9.934 3.573 127 HD2 HIS 18 2HD HIS 18 -0.055 10.087 -0.407 128 HE1 HIS 18 1HE HIS 18 1.054 12.379 2.988 129 HE2 HIS 18 2HE HIS 18 0.318 12.450 0.580 130 H LEU 19 H LEU 19 -0.297 5.298 -0.487 131 HA LEU 19 HA LEU 19 1.196 3.408 1.166 132 1HB LEU 19 2HB LEU 19 -1.438 3.278 -0.258 133 2HB LEU 19 1HB LEU 19 -0.651 1.826 0.334 134 HG LEU 19 HG LEU 19 -0.638 3.684 2.456 135 1HD1 LEU 19 1HD1 LEU 19 -3.184 3.641 0.902 136 2HD1 LEU 19 2HD1 LEU 19 -2.365 4.995 1.680 137 3HD1 LEU 19 3HD1 LEU 19 -3.214 3.797 2.658 138 1HD2 LEU 19 1HD2 LEU 19 -2.655 1.586 2.546 139 2HD2 LEU 19 2HD2 LEU 19 -1.260 1.865 3.585 140 3HD2 LEU 19 3HD2 LEU 19 -1.065 1.024 2.049 141 H GLY 20 H GLY 20 1.522 1.224 0.247 142 1HA GLY 20 2HA GLY 20 1.966 1.012 -2.598 143 2HA GLY 20 1HA GLY 20 3.440 1.075 -1.638 144 H CYS 21 H CYS 21 1.638 -1.041 -3.183 145 HA CYS 21 HA CYS 21 1.245 -3.033 -1.174 146 1HB CYS 21 2HB CYS 21 -0.025 -2.639 -3.437 147 2HB CYS 21 1HB CYS 21 1.239 -3.675 -4.089 148 H LYS 22 H LYS 22 2.462 -4.828 -0.743 149 HA LYS 22 HA LYS 22 5.193 -4.772 -1.768 150 1HB LYS 22 2HB LYS 22 3.981 -5.461 0.728 151 2HB LYS 22 1HB LYS 22 4.843 -6.865 0.119 152 1HG LYS 22 2HG LYS 22 6.389 -5.710 1.445 153 2HG LYS 22 1HG LYS 22 6.828 -5.324 -0.221 154 1HD LYS 22 2HD LYS 22 6.806 -3.192 0.475 155 2HD LYS 22 1HD LYS 22 5.050 -3.336 0.373 156 1HE LYS 22 2HE LYS 22 5.777 -2.397 2.524 157 2HE LYS 22 1HE LYS 22 4.936 -3.935 2.721 158 1HZ LYS 22 1HZ LYS 22 7.695 -4.410 2.421 159 2HZ LYS 22 2HZ LYS 22 6.702 -4.752 3.747 160 3HZ LYS 22 3HZ LYS 22 7.471 -3.249 3.634 161 H PHE 23 H PHE 23 6.253 -6.894 -2.217 162 HA PHE 23 HA PHE 23 5.380 -8.149 -4.409 163 1HB PHE 23 2HB PHE 23 6.646 -10.181 -3.684 164 2HB PHE 23 1HB PHE 23 7.542 -8.678 -3.490 165 HD1 PHE 23 1HD PHE 23 6.202 -11.579 -1.854 166 HD2 PHE 23 2HD PHE 23 7.724 -7.658 -1.204 167 HE1 PHE 23 1HE PHE 23 6.585 -12.125 0.514 168 HE2 PHE 23 2HE PHE 23 8.111 -8.196 1.164 169 HZ PHE 23 HZ PHE 23 7.541 -10.433 2.026 170 H ARG 24 H ARG 24 3.168 -8.447 -4.544 171 HA ARG 24 HA ARG 24 1.089 -9.319 -4.044 172 1HB ARG 24 2HB ARG 24 1.121 -11.805 -4.212 173 2HB ARG 24 1HB ARG 24 1.999 -10.988 -5.496 174 1HG ARG 24 2HG ARG 24 4.066 -11.651 -4.681 175 2HG ARG 24 1HG ARG 24 3.433 -11.970 -3.066 176 1HD ARG 24 2HD ARG 24 2.674 -14.036 -3.622 177 2HD ARG 24 1HD ARG 24 2.286 -13.565 -5.274 178 HE ARG 24 HE ARG 24 4.459 -14.081 -5.920 179 1HH1 ARG 24 1HH1 ARG 24 4.076 -14.403 -2.470 180 2HH1 ARG 24 2HH1 ARG 24 5.548 -15.290 -2.262 181 1HH2 ARG 24 1HH2 ARG 24 6.404 -15.239 -5.650 182 2HH2 ARG 24 2HH2 ARG 24 6.873 -15.761 -4.065 183 H ASP 25 H ASP 25 2.274 -8.356 -1.724 184 HA ASP 25 HA ASP 25 2.384 -10.146 0.423 185 1HB ASP 25 2HB ASP 25 2.356 -7.270 0.057 186 2HB ASP 25 1HB ASP 25 1.427 -7.736 1.479 187 H LYS 26 H LYS 26 -0.136 -7.695 0.452 188 HA LYS 26 HA LYS 26 -2.378 -9.284 0.072 189 1HB LYS 26 2HB LYS 26 -1.158 -10.173 2.323 190 2HB LYS 26 1HB LYS 26 -2.219 -8.948 3.004 191 1HG LYS 26 2HG LYS 26 -4.146 -10.052 2.304 192 2HG LYS 26 1HG LYS 26 -3.271 -11.026 1.121 193 1HD LYS 26 2HD LYS 26 -3.197 -12.649 2.648 194 2HD LYS 26 1HD LYS 26 -2.088 -11.633 3.574 195 1HE LYS 26 2HE LYS 26 -4.043 -10.588 4.678 196 2HE LYS 26 1HE LYS 26 -5.094 -11.710 3.817 197 1HZ LYS 26 1HZ LYS 26 -4.482 -13.432 5.125 198 2HZ LYS 26 2HZ LYS 26 -4.177 -12.195 6.238 199 3HZ LYS 26 3HZ LYS 26 -2.903 -12.867 5.354 200 H TYR 27 H TYR 27 -1.090 -6.770 2.236 201 HA TYR 27 HA TYR 27 -3.449 -5.131 1.560 202 1HB TYR 27 2HB TYR 27 -3.126 -3.981 3.732 203 2HB TYR 27 1HB TYR 27 -3.483 -5.688 3.923 204 HD1 TYR 27 1HD TYR 27 -1.022 -3.062 4.415 205 HD2 TYR 27 2HD TYR 27 -1.706 -7.256 4.624 206 HE1 TYR 27 1HE TYR 27 1.005 -3.319 5.787 207 HE2 TYR 27 2HE TYR 27 0.314 -7.524 5.997 208 HH TYR 27 HH TYR 27 2.025 -4.814 7.304 209 H CYS 28 H CYS 28 -2.685 -2.731 2.472 210 HA CYS 28 HA CYS 28 -0.343 -2.094 0.808 211 1HB CYS 28 2HB CYS 28 -2.636 -0.253 1.508 212 2HB CYS 28 1HB CYS 28 -1.343 0.052 0.351 213 H ALA 29 H ALA 29 1.305 -0.963 1.661 214 HA ALA 29 HA ALA 29 0.984 0.060 4.408 215 1HB ALA 29 1HB ALA 29 3.185 -1.604 3.241 216 2HB ALA 29 2HB ALA 29 2.283 -1.841 4.737 217 3HB ALA 29 3HB ALA 29 3.479 -0.550 4.623 218 H TRP 30 H TRP 30 2.146 1.933 4.942 219 HA TRP 30 HA TRP 30 2.298 3.927 3.068 220 1HB TRP 30 2HB TRP 30 3.956 3.669 5.585 221 2HB TRP 30 1HB TRP 30 3.722 5.158 4.674 222 HD1 TRP 30 HD TRP 30 2.595 3.873 7.730 223 HE1 TRP 30 1HE TRP 30 0.211 4.618 8.347 224 HE3 TRP 30 3HE TRP 30 1.016 5.425 3.122 225 HZ2 TRP 30 2HZ TRP 30 -2.042 5.716 7.052 226 HZ3 TRP 30 3HZ TRP 30 -1.271 6.309 2.897 227 HH2 TRP 30 HH TRP 30 -2.765 6.449 4.823 228 H ASP 31 H ASP 31 4.004 4.985 1.988 229 HA ASP 31 HA ASP 31 6.628 4.538 1.827 230 1HB ASP 31 2HB ASP 31 6.530 2.202 1.574 231 2HB ASP 31 1HB ASP 31 5.171 2.290 0.458 232 H PHE 32 H PHE 32 6.860 6.428 0.880 233 HA PHE 32 HA PHE 32 7.287 7.565 -1.185 234 1HB PHE 32 2HB PHE 32 5.928 5.736 -2.411 235 2HB PHE 32 1HB PHE 32 4.539 6.781 -2.129 236 HD1 PHE 32 1HD PHE 32 3.945 7.712 -4.141 237 HD2 PHE 32 2HD PHE 32 8.060 7.539 -3.078 238 HE1 PHE 32 1HE PHE 32 4.517 8.987 -6.165 239 HE2 PHE 32 2HE PHE 32 8.642 8.814 -5.099 240 HZ PHE 32 HZ PHE 32 6.867 9.540 -6.648 241 H THR 33 H THR 33 7.179 9.624 -0.620 242 HA THR 33 HA THR 33 4.590 10.686 0.294 243 HB THR 33 HB THR 33 7.361 11.413 1.248 244 HG1 THR 33 1HG THR 33 6.684 9.562 2.234 245 1HG2 THR 33 1HG2 THR 33 4.703 12.550 2.082 246 2HG2 THR 33 2HG2 THR 33 6.018 13.408 1.277 247 3HG2 THR 33 3HG2 THR 33 6.232 12.809 2.922 248 H PHE 34 H PHE 34 7.024 10.913 -2.010 249 HA PHE 34 HA PHE 34 6.015 13.551 -2.844 250 1HB PHE 34 2HB PHE 34 8.237 14.150 -3.657 251 2HB PHE 34 1HB PHE 34 8.285 13.800 -1.933 252 HD1 PHE 34 1HD PHE 34 9.445 11.861 -1.090 253 HD2 PHE 34 2HD PHE 34 9.288 12.676 -5.263 254 HE1 PHE 34 1HE PHE 34 11.251 10.235 -1.471 255 HE2 PHE 34 2HE PHE 34 11.095 11.052 -5.652 256 HZ PHE 34 HZ PHE 34 12.079 9.830 -3.754 257 H SER 35 H SER 35 4.930 13.344 -4.664 258 HA SER 35 HA SER 35 5.706 11.242 -6.565 259 1HB SER 35 2HB SER 35 3.488 10.815 -6.334 260 2HB SER 35 1HB SER 35 3.133 12.444 -5.758 261 HG SER 35 HG SER 35 2.736 11.443 -8.177 Start of MODEL 10 1 HA GLU 1 HA GLU 1 -10.936 2.327 -5.359 2 1HB GLU 1 2HB GLU 1 -10.454 3.989 -7.709 3 2HB GLU 1 1HB GLU 1 -8.996 3.185 -7.148 4 1HG GLU 1 2HG GLU 1 -11.556 1.689 -7.575 5 2HG GLU 1 1HG GLU 1 -10.420 1.990 -8.887 6 1HT GLU 1 1HT GLU 1 -12.471 3.865 -6.178 7 2HT GLU 1 2HT GLU 1 -11.329 5.144 -6.101 8 3HT GLU 1 3HT GLU 1 -11.919 4.428 -4.657 9 H CYS 2 H CYS 2 -8.375 2.078 -5.303 10 HA CYS 2 HA CYS 2 -6.344 2.648 -4.394 11 1HB CYS 2 2HB CYS 2 -5.843 4.813 -4.253 12 2HB CYS 2 1HB CYS 2 -7.493 5.153 -4.704 13 H ARG 3 H ARG 3 -6.176 1.112 -3.028 14 HA ARG 3 HA ARG 3 -7.714 0.910 -0.642 15 1HB ARG 3 2HB ARG 3 -5.616 -0.670 -2.025 16 2HB ARG 3 1HB ARG 3 -5.739 -0.894 -0.287 17 1HG ARG 3 2HG ARG 3 -7.459 -1.857 -2.431 18 2HG ARG 3 1HG ARG 3 -7.252 -2.462 -0.790 19 1HD ARG 3 2HD ARG 3 -8.742 -0.701 0.040 20 2HD ARG 3 1HD ARG 3 -8.948 -0.102 -1.605 21 HE ARG 3 HE ARG 3 -9.739 -2.639 -1.870 22 1HH1 ARG 3 1HH1 ARG 3 -10.534 -0.231 0.518 23 2HH1 ARG 3 2HH1 ARG 3 -12.110 -0.877 0.831 24 1HH2 ARG 3 1HH2 ARG 3 -11.809 -3.497 -1.465 25 2HH2 ARG 3 2HH2 ARG 3 -12.836 -2.734 -0.297 26 H TYR 4 H TYR 4 -7.404 2.311 0.876 27 HA TYR 4 HA TYR 4 -5.062 3.759 1.378 28 1HB TYR 4 2HB TYR 4 -7.605 3.947 2.254 29 2HB TYR 4 1HB TYR 4 -6.867 3.206 3.670 30 HD1 TYR 4 1HD TYR 4 -6.929 4.970 5.221 31 HD2 TYR 4 2HD TYR 4 -5.305 5.642 1.345 32 HE1 TYR 4 1HE TYR 4 -6.114 7.173 5.951 33 HE2 TYR 4 2HE TYR 4 -4.485 7.846 2.064 34 HH TYR 4 HH TYR 4 -3.856 8.950 4.267 35 H LEU 5 H LEU 5 -4.829 3.416 4.208 36 HA LEU 5 HA LEU 5 -2.786 1.483 4.341 37 1HB LEU 5 2HB LEU 5 -3.681 3.555 5.941 38 2HB LEU 5 1HB LEU 5 -3.980 2.128 6.916 39 HG LEU 5 HG LEU 5 -1.377 3.257 5.972 40 1HD1 LEU 5 1HD1 LEU 5 -0.806 2.548 8.357 41 2HD1 LEU 5 2HD1 LEU 5 -2.539 2.296 8.568 42 3HD1 LEU 5 3HD1 LEU 5 -1.926 3.897 8.156 43 1HD2 LEU 5 1HD2 LEU 5 -0.364 1.056 6.762 44 2HD2 LEU 5 2HD2 LEU 5 -1.119 1.066 5.168 45 3HD2 LEU 5 3HD2 LEU 5 -1.973 0.369 6.543 46 H PHE 6 H PHE 6 -2.865 -0.652 4.569 47 HA PHE 6 HA PHE 6 -3.526 -2.736 5.183 48 1HB PHE 6 2HB PHE 6 -5.594 -1.292 6.851 49 2HB PHE 6 1HB PHE 6 -5.263 -3.019 6.921 50 HD1 PHE 6 1HD PHE 6 -4.716 -0.084 8.585 51 HD2 PHE 6 2HD PHE 6 -2.571 -3.465 7.143 52 HE1 PHE 6 1HE PHE 6 -2.961 0.318 10.262 53 HE2 PHE 6 2HE PHE 6 -0.813 -3.069 8.818 54 HZ PHE 6 HZ PHE 6 -1.006 -1.176 10.380 55 H GLY 7 H GLY 7 -4.569 -1.354 2.840 56 1HA GLY 7 2HA GLY 7 -7.241 -2.558 2.588 57 2HA GLY 7 1HA GLY 7 -6.575 -1.322 1.530 58 H GLY 8 H GLY 8 -7.428 -4.474 1.614 59 1HA GLY 8 2HA GLY 8 -5.465 -6.046 0.591 60 2HA GLY 8 1HA GLY 8 -7.125 -6.119 0.013 61 H CYS 9 H CYS 9 -4.110 -6.002 -1.090 62 HA CYS 9 HA CYS 9 -4.939 -4.640 -3.545 63 1HB CYS 9 2HB CYS 9 -2.690 -3.540 -3.692 64 2HB CYS 9 1HB CYS 9 -3.725 -2.912 -2.414 65 H LYS 10 H LYS 10 -4.365 -5.688 -5.343 66 HA LYS 10 HA LYS 10 -2.903 -8.164 -5.116 67 1HB LYS 10 2HB LYS 10 -4.438 -6.786 -7.276 68 2HB LYS 10 1HB LYS 10 -3.280 -8.027 -7.731 69 1HG LYS 10 2HG LYS 10 -5.738 -8.314 -6.036 70 2HG LYS 10 1HG LYS 10 -5.358 -9.108 -7.564 71 1HD LYS 10 2HD LYS 10 -3.426 -10.214 -6.371 72 2HD LYS 10 1HD LYS 10 -4.108 -9.590 -4.868 73 1HE LYS 10 2HE LYS 10 -6.168 -10.864 -6.390 74 2HE LYS 10 1HE LYS 10 -4.793 -11.957 -6.240 75 1HZ LYS 10 1HZ LYS 10 -4.946 -11.115 -3.752 76 2HZ LYS 10 2HZ LYS 10 -5.846 -12.433 -4.310 77 3HZ LYS 10 3HZ LYS 10 -6.571 -10.910 -4.177 78 H THR 11 H THR 11 -2.242 -4.926 -5.848 79 HA THR 11 HA THR 11 0.550 -5.512 -6.281 80 HB THR 11 HB THR 11 0.572 -5.286 -8.503 81 HG1 THR 11 1HG THR 11 0.005 -3.187 -9.372 82 1HG2 THR 11 1HG2 THR 11 -1.555 -6.076 -8.943 83 2HG2 THR 11 2HG2 THR 11 -1.533 -4.511 -9.756 84 3HG2 THR 11 3HG2 THR 11 -2.334 -4.682 -8.193 85 H THR 12 H THR 12 1.572 -3.183 -6.920 86 HA THR 12 HA THR 12 1.039 -1.565 -4.607 87 HB THR 12 HB THR 12 2.990 -1.451 -6.877 88 HG1 THR 12 1HG THR 12 3.182 -2.587 -4.707 89 1HG2 THR 12 1HG2 THR 12 3.956 0.592 -5.985 90 2HG2 THR 12 2HG2 THR 12 2.607 0.743 -4.859 91 3HG2 THR 12 3HG2 THR 12 2.324 0.866 -6.596 92 H SER 13 H SER 13 0.186 -1.524 -7.971 93 HA SER 13 HA SER 13 -0.686 1.192 -8.003 94 1HB SER 13 2HB SER 13 0.103 -0.228 -10.008 95 2HB SER 13 1HB SER 13 -1.533 -0.891 -9.999 96 HG SER 13 HG SER 13 -1.274 1.881 -9.904 97 H ASP 14 H ASP 14 -1.936 -1.590 -6.686 98 HA ASP 14 HA ASP 14 -4.730 -0.944 -7.145 99 1HB ASP 14 2HB ASP 14 -3.231 -3.228 -5.971 100 2HB ASP 14 1HB ASP 14 -4.865 -2.950 -5.377 101 H CYS 15 H CYS 15 -2.582 0.540 -5.353 102 HA CYS 15 HA CYS 15 -4.424 0.891 -3.080 103 1HB CYS 15 2HB CYS 15 -1.422 1.205 -2.947 104 2HB CYS 15 1HB CYS 15 -2.557 1.245 -1.605 105 H CYS 16 H CYS 16 -3.771 2.979 -1.871 106 HA CYS 16 HA CYS 16 -4.354 5.139 -3.573 107 1HB CYS 16 2HB CYS 16 -3.515 5.157 -0.688 108 2HB CYS 16 1HB CYS 16 -4.301 6.478 -1.551 109 H LYS 17 H LYS 17 -2.658 7.011 -2.013 110 HA LYS 17 HA LYS 17 -0.504 7.053 -3.958 111 1HB LYS 17 2HB LYS 17 -1.684 9.042 -2.062 112 2HB LYS 17 1HB LYS 17 -0.081 9.324 -2.727 113 1HG LYS 17 2HG LYS 17 -1.312 8.832 -5.004 114 2HG LYS 17 1HG LYS 17 -2.727 9.329 -4.074 115 1HD LYS 17 2HD LYS 17 -0.234 10.913 -4.654 116 2HD LYS 17 1HD LYS 17 -1.895 11.286 -5.122 117 1HE LYS 17 2HE LYS 17 -2.492 11.905 -2.953 118 2HE LYS 17 1HE LYS 17 -1.122 11.060 -2.233 119 1HZ LYS 17 1HZ LYS 17 -0.536 13.287 -2.125 120 2HZ LYS 17 2HZ LYS 17 -1.150 13.643 -3.660 121 3HZ LYS 17 3HZ LYS 17 0.280 12.753 -3.507 122 H HIS 18 H HIS 18 -0.564 7.936 -0.542 123 HA HIS 18 HA HIS 18 2.155 7.595 -0.155 124 1HB HIS 18 2HB HIS 18 -0.085 7.558 1.854 125 2HB HIS 18 1HB HIS 18 1.621 7.710 2.266 126 HD1 HIS 18 1HD HIS 18 2.433 10.035 2.501 127 HD2 HIS 18 2HD HIS 18 -0.947 9.813 0.094 128 HE1 HIS 18 1HE HIS 18 1.847 12.418 1.945 129 HE2 HIS 18 2HE HIS 18 -0.202 12.259 0.485 130 H LEU 19 H LEU 19 -0.147 5.234 -0.576 131 HA LEU 19 HA LEU 19 1.205 3.300 1.139 132 1HB LEU 19 2HB LEU 19 -1.386 3.312 -0.356 133 2HB LEU 19 1HB LEU 19 -0.705 1.815 0.251 134 HG LEU 19 HG LEU 19 -0.787 3.915 2.268 135 1HD1 LEU 19 1HD1 LEU 19 -3.215 3.818 2.598 136 2HD1 LEU 19 2HD1 LEU 19 -3.373 2.925 1.086 137 3HD1 LEU 19 3HD1 LEU 19 -2.781 4.585 1.070 138 1HD2 LEU 19 1HD2 LEU 19 -0.489 1.279 2.304 139 2HD2 LEU 19 2HD2 LEU 19 -2.240 1.347 2.501 140 3HD2 LEU 19 3HD2 LEU 19 -1.189 2.167 3.655 141 H GLY 20 H GLY 20 2.118 1.425 0.469 142 1HA GLY 20 2HA GLY 20 2.471 1.020 -2.431 143 2HA GLY 20 1HA GLY 20 3.853 0.973 -1.341 144 H CYS 21 H CYS 21 1.704 -0.935 -2.951 145 HA CYS 21 HA CYS 21 1.114 -2.892 -1.000 146 1HB CYS 21 2HB CYS 21 -0.021 -2.476 -3.282 147 2HB CYS 21 1HB CYS 21 1.265 -3.482 -3.940 148 H LYS 22 H LYS 22 2.498 -4.215 -0.040 149 HA LYS 22 HA LYS 22 4.945 -4.989 -1.482 150 1HB LYS 22 2HB LYS 22 4.554 -5.233 1.491 151 2HB LYS 22 1HB LYS 22 6.059 -5.186 0.585 152 1HG LYS 22 2HG LYS 22 4.187 -2.843 0.729 153 2HG LYS 22 1HG LYS 22 5.469 -3.121 1.910 154 1HD LYS 22 2HD LYS 22 6.690 -3.412 -0.585 155 2HD LYS 22 1HD LYS 22 5.628 -2.012 -0.751 156 1HE LYS 22 2HE LYS 22 6.654 -1.278 1.512 157 2HE LYS 22 1HE LYS 22 7.924 -2.435 1.123 158 1HZ LYS 22 1HZ LYS 22 8.338 -0.085 0.406 159 2HZ LYS 22 2HZ LYS 22 7.098 -0.275 -0.729 160 3HZ LYS 22 3HZ LYS 22 8.482 -1.245 -0.821 161 H PHE 23 H PHE 23 5.129 -7.029 -2.121 162 HA PHE 23 HA PHE 23 3.140 -8.944 -1.736 163 1HB PHE 23 2HB PHE 23 5.444 -8.704 -3.301 164 2HB PHE 23 1HB PHE 23 5.699 -10.156 -2.337 165 HD1 PHE 23 1HD PHE 23 4.991 -9.505 -5.433 166 HD2 PHE 23 2HD PHE 23 2.949 -11.170 -2.091 167 HE1 PHE 23 1HE PHE 23 3.532 -10.773 -6.959 168 HE2 PHE 23 2HE PHE 23 1.489 -12.441 -3.609 169 HZ PHE 23 HZ PHE 23 1.779 -12.244 -6.046 170 H ARG 24 H ARG 24 2.648 -9.490 0.333 171 HA ARG 24 HA ARG 24 3.840 -11.505 1.668 172 1HB ARG 24 2HB ARG 24 5.461 -9.144 1.922 173 2HB ARG 24 1HB ARG 24 4.847 -9.612 3.503 174 1HG ARG 24 2HG ARG 24 6.115 -11.631 1.697 175 2HG ARG 24 1HG ARG 24 7.096 -10.569 2.708 176 1HD ARG 24 2HD ARG 24 4.902 -11.763 4.181 177 2HD ARG 24 1HD ARG 24 5.952 -12.981 3.459 178 HE ARG 24 HE ARG 24 7.448 -10.955 4.784 179 1HH1 ARG 24 1HH1 ARG 24 5.550 -13.821 5.319 180 2HH1 ARG 24 2HH1 ARG 24 6.339 -14.225 6.808 181 1HH2 ARG 24 1HH2 ARG 24 8.496 -11.475 6.745 182 2HH2 ARG 24 2HH2 ARG 24 8.013 -12.890 7.618 183 H ASP 25 H ASP 25 2.836 -8.222 2.638 184 HA ASP 25 HA ASP 25 1.225 -9.256 4.789 185 1HB ASP 25 2HB ASP 25 2.088 -6.603 3.834 186 2HB ASP 25 1HB ASP 25 0.502 -6.640 4.598 187 H LYS 26 H LYS 26 0.760 -8.647 1.481 188 HA LYS 26 HA LYS 26 -1.028 -8.955 0.118 189 1HB LYS 26 2HB LYS 26 -1.916 -10.806 1.121 190 2HB LYS 26 1HB LYS 26 -2.076 -10.027 2.685 191 1HG LYS 26 2HG LYS 26 -4.255 -10.502 1.817 192 2HG LYS 26 1HG LYS 26 -4.009 -8.756 1.812 193 1HD LYS 26 2HD LYS 26 -4.498 -8.718 -0.354 194 2HD LYS 26 1HD LYS 26 -3.089 -9.731 -0.673 195 1HE LYS 26 2HE LYS 26 -4.384 -11.464 -1.177 196 2HE LYS 26 1HE LYS 26 -5.235 -11.329 0.363 197 1HZ LYS 26 1HZ LYS 26 -5.868 -9.754 -2.074 198 2HZ LYS 26 2HZ LYS 26 -6.714 -9.712 -0.612 199 3HZ LYS 26 3HZ LYS 26 -6.722 -11.118 -1.551 200 H TYR 27 H TYR 27 -0.857 -6.614 2.480 201 HA TYR 27 HA TYR 27 -3.165 -5.191 1.332 202 1HB TYR 27 2HB TYR 27 -3.212 -3.871 3.461 203 2HB TYR 27 1HB TYR 27 -3.632 -5.561 3.651 204 HD1 TYR 27 1HD TYR 27 -0.539 -3.455 3.723 205 HD2 TYR 27 2HD TYR 27 -2.777 -6.599 5.514 206 HE1 TYR 27 1HE TYR 27 1.169 -3.664 5.478 207 HE2 TYR 27 2HE TYR 27 -1.075 -6.817 7.274 208 HH TYR 27 HH TYR 27 1.013 -6.222 7.903 209 H CYS 28 H CYS 28 -2.719 -2.694 2.154 210 HA CYS 28 HA CYS 28 -0.299 -1.982 0.666 211 1HB CYS 28 2HB CYS 28 -2.572 -0.164 1.440 212 2HB CYS 28 1HB CYS 28 -1.348 0.108 0.206 213 H ALA 29 H ALA 29 1.417 -1.180 1.692 214 HA ALA 29 HA ALA 29 1.030 -0.149 4.427 215 1HB ALA 29 1HB ALA 29 3.582 -1.250 3.272 216 2HB ALA 29 2HB ALA 29 2.429 -2.203 4.206 217 3HB ALA 29 3HB ALA 29 3.253 -0.834 4.954 218 H TRP 30 H TRP 30 1.884 1.801 4.994 219 HA TRP 30 HA TRP 30 2.001 3.893 3.322 220 1HB TRP 30 2HB TRP 30 3.689 3.396 5.774 221 2HB TRP 30 1HB TRP 30 3.669 4.945 4.934 222 HD1 TRP 30 HD TRP 30 2.344 3.770 7.928 223 HE1 TRP 30 1HE TRP 30 0.030 4.742 8.501 224 HE3 TRP 30 3HE TRP 30 1.012 5.481 3.296 225 HZ2 TRP 30 2HZ TRP 30 -2.080 6.057 7.165 226 HZ3 TRP 30 3HZ TRP 30 -1.171 6.584 3.028 227 HH2 TRP 30 HH TRP 30 -2.685 6.864 4.924 228 H ASP 31 H ASP 31 3.732 5.139 2.366 229 HA ASP 31 HA ASP 31 5.454 3.557 0.775 230 1HB ASP 31 2HB ASP 31 6.327 5.927 0.112 231 2HB ASP 31 1HB ASP 31 4.714 5.420 -0.374 232 H PHE 32 H PHE 32 6.216 2.893 3.176 233 HA PHE 32 HA PHE 32 7.998 4.181 4.712 234 1HB PHE 32 2HB PHE 32 7.291 1.547 4.335 235 2HB PHE 32 1HB PHE 32 9.012 1.536 3.964 236 HD1 PHE 32 1HD PHE 32 6.769 3.099 6.511 237 HD2 PHE 32 2HD PHE 32 10.377 0.987 5.717 238 HE1 PHE 32 1HE PHE 32 7.276 3.068 8.920 239 HE2 PHE 32 2HE PHE 32 10.891 0.949 8.122 240 HZ PHE 32 HZ PHE 32 9.340 1.991 9.727 241 H THR 33 H THR 33 9.164 5.758 3.584 242 HA THR 33 HA THR 33 11.664 4.833 2.484 243 HB THR 33 HB THR 33 11.381 6.275 0.411 244 HG1 THR 33 1HG THR 33 9.534 7.403 0.985 245 1HG2 THR 33 1HG2 THR 33 10.748 4.522 -0.851 246 2HG2 THR 33 2HG2 THR 33 9.344 4.161 0.153 247 3HG2 THR 33 3HG2 THR 33 10.953 3.658 0.672 248 H PHE 34 H PHE 34 13.251 6.504 2.316 249 HA PHE 34 HA PHE 34 12.547 8.904 3.873 250 1HB PHE 34 2HB PHE 34 15.261 8.803 4.013 251 2HB PHE 34 1HB PHE 34 14.182 8.097 5.212 252 HD1 PHE 34 1HD PHE 34 13.908 5.722 5.391 253 HD2 PHE 34 2HD PHE 34 16.398 7.403 2.377 254 HE1 PHE 34 1HE PHE 34 14.882 3.503 4.964 255 HE2 PHE 34 2HE PHE 34 17.376 5.186 1.944 256 HZ PHE 34 HZ PHE 34 16.617 3.233 3.238 257 H SER 35 H SER 35 11.838 9.892 1.859 258 HA SER 35 HA SER 35 12.151 11.458 0.233 259 1HB SER 35 2HB SER 35 15.109 11.461 0.411 260 2HB SER 35 1HB SER 35 13.979 12.813 0.377 261 HG SER 35 HG SER 35 13.418 12.054 2.595 Start of MODEL 11 1 HA GLU 1 HA GLU 1 -9.683 2.041 -6.398 2 1HB GLU 1 2HB GLU 1 -8.574 3.956 -8.461 3 2HB GLU 1 1HB GLU 1 -8.174 2.251 -8.301 4 1HG GLU 1 2HG GLU 1 -9.791 1.791 -9.733 5 2HG GLU 1 1HG GLU 1 -10.960 2.357 -8.540 6 1HT GLU 1 1HT GLU 1 -10.158 4.925 -6.581 7 2HT GLU 1 2HT GLU 1 -10.997 3.739 -5.667 8 3HT GLU 1 3HT GLU 1 -11.167 3.788 -7.374 9 H CYS 2 H CYS 2 -8.909 2.446 -4.287 10 HA CYS 2 HA CYS 2 -6.200 2.993 -4.067 11 1HB CYS 2 2HB CYS 2 -6.049 5.220 -3.936 12 2HB CYS 2 1HB CYS 2 -7.771 5.365 -4.178 13 H ARG 3 H ARG 3 -6.055 1.327 -2.816 14 HA ARG 3 HA ARG 3 -7.732 0.971 -0.519 15 1HB ARG 3 2HB ARG 3 -5.916 -0.643 -2.104 16 2HB ARG 3 1HB ARG 3 -5.592 -0.837 -0.388 17 1HG ARG 3 2HG ARG 3 -7.458 -2.227 -1.833 18 2HG ARG 3 1HG ARG 3 -7.421 -2.081 -0.077 19 1HD ARG 3 2HD ARG 3 -9.053 -0.414 -0.060 20 2HD ARG 3 1HD ARG 3 -8.799 -0.023 -1.761 21 HE ARG 3 HE ARG 3 -9.869 -2.668 -1.128 22 1HH1 ARG 3 1HH1 ARG 3 -10.458 0.575 -2.281 23 2HH1 ARG 3 2HH1 ARG 3 -11.970 0.170 -3.019 24 1HH2 ARG 3 1HH2 ARG 3 -11.858 -3.199 -2.095 25 2HH2 ARG 3 2HH2 ARG 3 -12.768 -1.972 -2.912 26 H TYR 4 H TYR 4 -7.406 2.478 0.909 27 HA TYR 4 HA TYR 4 -5.043 3.765 1.565 28 1HB TYR 4 2HB TYR 4 -7.567 4.067 2.388 29 2HB TYR 4 1HB TYR 4 -6.960 3.176 3.779 30 HD1 TYR 4 1HD TYR 4 -6.894 4.773 5.481 31 HD2 TYR 4 2HD TYR 4 -5.202 5.716 1.694 32 HE1 TYR 4 1HE TYR 4 -5.981 6.855 6.415 33 HE2 TYR 4 2HE TYR 4 -4.284 7.802 2.617 34 HH TYR 4 HH TYR 4 -4.387 8.507 6.027 35 H LEU 5 H LEU 5 -4.584 3.416 4.287 36 HA LEU 5 HA LEU 5 -2.740 1.323 4.322 37 1HB LEU 5 2HB LEU 5 -2.946 3.381 5.868 38 2HB LEU 5 1HB LEU 5 -4.015 2.370 6.825 39 HG LEU 5 HG LEU 5 -1.907 0.705 6.599 40 1HD1 LEU 5 1HD1 LEU 5 -0.266 1.880 5.570 41 2HD1 LEU 5 2HD1 LEU 5 0.015 2.445 7.217 42 3HD1 LEU 5 3HD1 LEU 5 -0.904 3.440 6.089 43 1HD2 LEU 5 1HD2 LEU 5 -3.183 1.964 8.605 44 2HD2 LEU 5 2HD2 LEU 5 -1.600 2.734 8.716 45 3HD2 LEU 5 3HD2 LEU 5 -1.738 0.979 8.831 46 H PHE 6 H PHE 6 -2.821 -0.781 4.826 47 HA PHE 6 HA PHE 6 -3.613 -2.813 5.491 48 1HB PHE 6 2HB PHE 6 -5.139 -0.944 7.126 49 2HB PHE 6 1HB PHE 6 -6.040 -2.415 6.772 50 HD1 PHE 6 1HD PHE 6 -3.378 -0.934 8.683 51 HD2 PHE 6 2HD PHE 6 -5.046 -4.624 7.374 52 HE1 PHE 6 1HE PHE 6 -2.139 -2.117 10.451 53 HE2 PHE 6 2HE PHE 6 -3.812 -5.813 9.140 54 HZ PHE 6 HZ PHE 6 -2.357 -4.560 10.682 55 H GLY 7 H GLY 7 -4.681 -1.094 3.127 56 1HA GLY 7 2HA GLY 7 -7.228 -2.408 2.602 57 2HA GLY 7 1HA GLY 7 -6.448 -1.200 1.590 58 H GLY 8 H GLY 8 -7.502 -4.191 1.410 59 1HA GLY 8 2HA GLY 8 -5.381 -5.813 0.600 60 2HA GLY 8 1HA GLY 8 -7.040 -5.978 0.045 61 H CYS 9 H CYS 9 -4.059 -5.810 -1.099 62 HA CYS 9 HA CYS 9 -4.943 -4.524 -3.583 63 1HB CYS 9 2HB CYS 9 -2.680 -3.487 -3.825 64 2HB CYS 9 1HB CYS 9 -3.640 -2.818 -2.509 65 H LYS 10 H LYS 10 -4.322 -5.540 -5.417 66 HA LYS 10 HA LYS 10 -3.079 -8.128 -5.150 67 1HB LYS 10 2HB LYS 10 -4.322 -6.626 -7.436 68 2HB LYS 10 1HB LYS 10 -3.422 -8.111 -7.714 69 1HG LYS 10 2HG LYS 10 -5.601 -8.092 -5.683 70 2HG LYS 10 1HG LYS 10 -6.012 -8.161 -7.398 71 1HD LYS 10 2HD LYS 10 -3.914 -10.017 -6.426 72 2HD LYS 10 1HD LYS 10 -5.577 -10.351 -5.938 73 1HE LYS 10 2HE LYS 10 -5.584 -11.490 -7.898 74 2HE LYS 10 1HE LYS 10 -5.993 -9.897 -8.532 75 1HZ LYS 10 1HZ LYS 10 -3.572 -11.451 -8.855 76 2HZ LYS 10 2HZ LYS 10 -3.322 -9.805 -8.552 77 3HZ LYS 10 3HZ LYS 10 -4.259 -10.286 -9.876 78 H THR 11 H THR 11 -2.160 -4.960 -5.989 79 HA THR 11 HA THR 11 0.604 -5.734 -6.237 80 HB THR 11 HB THR 11 0.751 -5.742 -8.460 81 HG1 THR 11 1HG THR 11 -0.168 -3.410 -9.278 82 1HG2 THR 11 1HG2 THR 11 -1.312 -6.423 -9.104 83 2HG2 THR 11 2HG2 THR 11 -1.310 -4.818 -9.833 84 3HG2 THR 11 3HG2 THR 11 -2.127 -5.086 -8.294 85 H THR 12 H THR 12 1.836 -3.577 -6.991 86 HA THR 12 HA THR 12 1.409 -1.733 -4.881 87 HB THR 12 HB THR 12 3.131 -1.637 -7.351 88 HG1 THR 12 1HG THR 12 4.282 -2.773 -6.008 89 1HG2 THR 12 1HG2 THR 12 2.962 0.607 -7.090 90 2HG2 THR 12 2HG2 THR 12 4.235 0.269 -5.916 91 3HG2 THR 12 3HG2 THR 12 2.572 0.494 -5.374 92 H SER 13 H SER 13 0.417 -1.843 -8.223 93 HA SER 13 HA SER 13 -0.615 0.843 -8.181 94 1HB SER 13 2HB SER 13 -0.973 0.625 -10.472 95 2HB SER 13 1HB SER 13 0.411 -0.438 -10.215 96 HG SER 13 HG SER 13 -1.480 -1.264 -11.468 97 H ASP 14 H ASP 14 -1.734 -0.765 -6.200 98 HA ASP 14 HA ASP 14 -4.532 -0.809 -7.061 99 1HB ASP 14 2HB ASP 14 -2.981 -3.041 -5.797 100 2HB ASP 14 1HB ASP 14 -4.694 -2.872 -5.436 101 H CYS 15 H CYS 15 -2.483 0.748 -5.259 102 HA CYS 15 HA CYS 15 -4.335 0.994 -2.987 103 1HB CYS 15 2HB CYS 15 -1.335 1.290 -2.802 104 2HB CYS 15 1HB CYS 15 -2.486 1.301 -1.471 105 H CYS 16 H CYS 16 -3.922 3.031 -1.749 106 HA CYS 16 HA CYS 16 -4.458 5.240 -3.325 107 1HB CYS 16 2HB CYS 16 -3.477 5.205 -0.485 108 2HB CYS 16 1HB CYS 16 -4.352 6.515 -1.274 109 H LYS 17 H LYS 17 -2.740 7.100 -1.790 110 HA LYS 17 HA LYS 17 -0.644 7.213 -3.792 111 1HB LYS 17 2HB LYS 17 -2.211 9.120 -2.427 112 2HB LYS 17 1HB LYS 17 -0.548 9.390 -1.925 113 1HG LYS 17 2HG LYS 17 -0.740 10.749 -3.774 114 2HG LYS 17 1HG LYS 17 -0.018 9.289 -4.453 115 1HD LYS 17 2HD LYS 17 -1.682 9.408 -5.955 116 2HD LYS 17 1HD LYS 17 -2.686 8.747 -4.662 117 1HE LYS 17 2HE LYS 17 -2.336 11.658 -4.577 118 2HE LYS 17 1HE LYS 17 -3.193 11.064 -5.998 119 1HZ LYS 17 1HZ LYS 17 -4.779 9.973 -4.592 120 2HZ LYS 17 2HZ LYS 17 -4.669 11.591 -4.118 121 3HZ LYS 17 3HZ LYS 17 -3.917 10.389 -3.197 122 H HIS 18 H HIS 18 -0.618 8.055 -0.358 123 HA HIS 18 HA HIS 18 2.118 7.729 -0.071 124 1HB HIS 18 2HB HIS 18 -0.125 7.826 1.911 125 2HB HIS 18 1HB HIS 18 1.549 7.650 2.429 126 HD1 HIS 18 1HD HIS 18 0.423 9.890 -0.389 127 HD2 HIS 18 2HD HIS 18 1.879 10.167 3.492 128 HE1 HIS 18 1HE HIS 18 0.911 12.331 -0.027 129 HE2 HIS 18 2HE HIS 18 1.725 12.484 2.352 130 H LEU 19 H LEU 19 -0.200 5.366 -0.410 131 HA LEU 19 HA LEU 19 1.264 3.399 1.177 132 1HB LEU 19 2HB LEU 19 -1.405 3.363 -0.200 133 2HB LEU 19 1HB LEU 19 -0.668 1.898 0.421 134 HG LEU 19 HG LEU 19 -0.759 4.086 2.364 135 1HD1 LEU 19 1HD1 LEU 19 -3.158 3.838 2.811 136 2HD1 LEU 19 2HD1 LEU 19 -3.319 2.881 1.339 137 3HD1 LEU 19 3HD1 LEU 19 -2.841 4.575 1.243 138 1HD2 LEU 19 1HD2 LEU 19 -1.243 2.363 3.864 139 2HD2 LEU 19 2HD2 LEU 19 -0.160 1.622 2.684 140 3HD2 LEU 19 3HD2 LEU 19 -1.895 1.323 2.598 141 H GLY 20 H GLY 20 1.870 1.374 0.348 142 1HA GLY 20 2HA GLY 20 2.121 1.117 -2.559 143 2HA GLY 20 1HA GLY 20 3.592 1.082 -1.592 144 H CYS 21 H CYS 21 1.683 -0.920 -3.188 145 HA CYS 21 HA CYS 21 1.079 -2.891 -1.234 146 1HB CYS 21 2HB CYS 21 0.063 -2.508 -3.610 147 2HB CYS 21 1HB CYS 21 1.376 -3.556 -4.135 148 H LYS 22 H LYS 22 2.271 -4.544 -0.474 149 HA LYS 22 HA LYS 22 5.067 -4.644 -1.229 150 1HB LYS 22 2HB LYS 22 3.464 -5.434 1.067 151 2HB LYS 22 1HB LYS 22 4.616 -6.682 0.608 152 1HG LYS 22 2HG LYS 22 5.937 -5.492 2.007 153 2HG LYS 22 1HG LYS 22 6.256 -4.593 0.521 154 1HD LYS 22 2HD LYS 22 4.129 -3.231 1.336 155 2HD LYS 22 1HD LYS 22 4.662 -3.825 2.911 156 1HE LYS 22 2HE LYS 22 6.605 -2.528 1.036 157 2HE LYS 22 1HE LYS 22 5.544 -1.545 2.043 158 1HZ LYS 22 1HZ LYS 22 6.430 -2.691 3.997 159 2HZ LYS 22 2HZ LYS 22 7.651 -1.901 3.133 160 3HZ LYS 22 3HZ LYS 22 7.481 -3.579 3.012 161 H PHE 23 H PHE 23 6.068 -6.925 -1.307 162 HA PHE 23 HA PHE 23 5.373 -8.173 -3.648 163 1HB PHE 23 2HB PHE 23 6.877 -9.165 -1.239 164 2HB PHE 23 1HB PHE 23 6.651 -10.180 -2.659 165 HD1 PHE 23 1HD PHE 23 7.334 -9.066 -4.936 166 HD2 PHE 23 2HD PHE 23 8.741 -7.821 -1.117 167 HE1 PHE 23 1HE PHE 23 9.285 -8.014 -6.000 168 HE2 PHE 23 2HE PHE 23 10.693 -6.764 -2.176 169 HZ PHE 23 HZ PHE 23 10.968 -6.860 -4.621 170 H ARG 24 H ARG 24 3.098 -8.433 -3.673 171 HA ARG 24 HA ARG 24 1.101 -9.492 -3.339 172 1HB ARG 24 2HB ARG 24 2.786 -11.248 -4.350 173 2HB ARG 24 1HB ARG 24 2.592 -12.019 -2.781 174 1HG ARG 24 2HG ARG 24 0.007 -11.552 -3.456 175 2HG ARG 24 1HG ARG 24 0.734 -11.841 -5.039 176 1HD ARG 24 2HD ARG 24 0.837 -14.027 -4.649 177 2HD ARG 24 1HD ARG 24 1.715 -13.759 -3.144 178 HE ARG 24 HE ARG 24 -0.215 -14.188 -2.013 179 1HH1 ARG 24 1HH1 ARG 24 -1.028 -13.278 -5.278 180 2HH1 ARG 24 2HH1 ARG 24 -2.720 -13.595 -5.082 181 1HH2 ARG 24 1HH2 ARG 24 -2.441 -14.604 -1.745 182 2HH2 ARG 24 2HH2 ARG 24 -3.523 -14.348 -3.073 183 H ASP 25 H ASP 25 2.536 -8.470 -0.915 184 HA ASP 25 HA ASP 25 2.364 -10.079 1.294 185 1HB ASP 25 2HB ASP 25 3.182 -7.735 1.306 186 2HB ASP 25 1HB ASP 25 1.518 -7.177 1.182 187 H LYS 26 H LYS 26 -0.229 -7.786 0.453 188 HA LYS 26 HA LYS 26 -2.398 -9.329 0.196 189 1HB LYS 26 2HB LYS 26 -2.160 -10.628 2.111 190 2HB LYS 26 1HB LYS 26 -1.555 -9.284 3.070 191 1HG LYS 26 2HG LYS 26 -3.663 -8.452 3.487 192 2HG LYS 26 1HG LYS 26 -4.367 -9.234 2.070 193 1HD LYS 26 2HD LYS 26 -3.952 -11.437 3.223 194 2HD LYS 26 1HD LYS 26 -3.540 -10.514 4.670 195 1HE LYS 26 2HE LYS 26 -5.789 -11.008 4.982 196 2HE LYS 26 1HE LYS 26 -5.827 -9.374 4.324 197 1HZ LYS 26 1HZ LYS 26 -6.215 -11.851 2.733 198 2HZ LYS 26 2HZ LYS 26 -6.340 -10.264 2.162 199 3HZ LYS 26 3HZ LYS 26 -7.462 -10.850 3.284 200 H TYR 27 H TYR 27 -1.273 -6.737 2.339 201 HA TYR 27 HA TYR 27 -3.560 -5.117 1.432 202 1HB TYR 27 2HB TYR 27 -3.345 -3.898 3.616 203 2HB TYR 27 1HB TYR 27 -3.853 -5.571 3.770 204 HD1 TYR 27 1HD TYR 27 -2.083 -7.306 4.393 205 HD2 TYR 27 2HD TYR 27 -1.449 -3.112 4.747 206 HE1 TYR 27 1HE TYR 27 -0.230 -7.722 5.955 207 HE2 TYR 27 2HE TYR 27 0.405 -3.519 6.308 208 HH TYR 27 HH TYR 27 0.981 -5.588 7.981 209 H CYS 28 H CYS 28 -2.845 -2.683 2.338 210 HA CYS 28 HA CYS 28 -0.435 -2.098 0.760 211 1HB CYS 28 2HB CYS 28 -2.655 -0.192 1.505 212 2HB CYS 28 1HB CYS 28 -1.367 0.079 0.333 213 H ALA 29 H ALA 29 1.215 -0.900 1.589 214 HA ALA 29 HA ALA 29 0.939 0.006 4.382 215 1HB ALA 29 1HB ALA 29 2.576 -1.328 5.060 216 2HB ALA 29 2HB ALA 29 3.650 -0.710 3.804 217 3HB ALA 29 3HB ALA 29 2.586 -2.073 3.461 218 H TRP 30 H TRP 30 1.989 1.898 4.935 219 HA TRP 30 HA TRP 30 2.128 3.984 3.259 220 1HB TRP 30 2HB TRP 30 3.951 3.376 5.586 221 2HB TRP 30 1HB TRP 30 3.960 4.926 4.752 222 HD1 TRP 30 HD TRP 30 2.823 3.845 7.839 223 HE1 TRP 30 1HE TRP 30 0.619 4.933 8.596 224 HE3 TRP 30 3HE TRP 30 1.186 5.590 3.322 225 HZ2 TRP 30 2HZ TRP 30 -1.532 6.348 7.432 226 HZ3 TRP 30 3HZ TRP 30 -0.951 6.799 3.230 227 HH2 TRP 30 HH TRP 30 -2.282 7.170 5.240 228 H ASP 31 H ASP 31 3.921 5.151 2.257 229 HA ASP 31 HA ASP 31 5.421 3.483 0.528 230 1HB ASP 31 2HB ASP 31 4.440 5.977 0.278 231 2HB ASP 31 1HB ASP 31 6.109 6.357 0.694 232 H PHE 32 H PHE 32 6.242 2.755 2.966 233 HA PHE 32 HA PHE 32 8.269 3.956 4.302 234 1HB PHE 32 2HB PHE 32 7.176 1.614 4.591 235 2HB PHE 32 1HB PHE 32 8.496 1.049 3.576 236 HD1 PHE 32 1HD PHE 32 9.675 -0.279 5.111 237 HD2 PHE 32 2HD PHE 32 8.676 3.736 6.112 238 HE1 PHE 32 1HE PHE 32 11.129 -0.414 7.093 239 HE2 PHE 32 2HE PHE 32 10.131 3.608 8.094 240 HZ PHE 32 HZ PHE 32 11.357 1.530 8.586 241 H THR 33 H THR 33 10.167 4.791 3.735 242 HA THR 33 HA THR 33 11.368 4.011 1.200 243 HB THR 33 HB THR 33 12.986 5.973 2.067 244 HG1 THR 33 1HG THR 33 10.539 6.911 3.026 245 1HG2 THR 33 1HG2 THR 33 11.170 7.586 1.055 246 2HG2 THR 33 2HG2 THR 33 10.436 6.061 0.561 247 3HG2 THR 33 3HG2 THR 33 12.074 6.459 0.045 248 H PHE 34 H PHE 34 12.209 4.291 4.584 249 HA PHE 34 HA PHE 34 14.057 3.569 5.758 250 1HB PHE 34 2HB PHE 34 14.249 1.119 5.712 251 2HB PHE 34 1HB PHE 34 12.565 1.627 5.727 252 HD1 PHE 34 1HD PHE 34 15.228 0.105 3.737 253 HD2 PHE 34 2HD PHE 34 11.137 1.268 3.828 254 HE1 PHE 34 1HE PHE 34 14.804 -1.248 1.726 255 HE2 PHE 34 2HE PHE 34 10.704 -0.082 1.819 256 HZ PHE 34 HZ PHE 34 12.538 -1.343 0.765 257 H SER 35 H SER 35 15.954 1.596 5.192 258 HA SER 35 HA SER 35 17.333 2.563 2.791 259 1HB SER 35 2HB SER 35 18.021 3.465 5.291 260 2HB SER 35 1HB SER 35 19.114 2.097 5.082 261 HG SER 35 HG SER 35 18.967 3.609 2.837 Start of MODEL 12 1 HA GLU 1 HA GLU 1 -10.732 3.469 -5.892 2 1HB GLU 1 2HB GLU 1 -10.209 1.185 -5.163 3 2HB GLU 1 1HB GLU 1 -11.132 1.182 -6.661 4 1HG GLU 1 2HG GLU 1 -9.581 -0.052 -7.626 5 2HG GLU 1 1HG GLU 1 -8.380 1.204 -7.332 6 1HT GLU 1 1HT GLU 1 -10.612 2.630 -8.290 7 2HT GLU 1 2HT GLU 1 -8.968 3.111 -8.181 8 3HT GLU 1 3HT GLU 1 -10.219 4.257 -7.915 9 H CYS 2 H CYS 2 -9.099 2.294 -4.069 10 HA CYS 2 HA CYS 2 -6.372 2.657 -4.246 11 1HB CYS 2 2HB CYS 2 -5.941 4.845 -4.054 12 2HB CYS 2 1HB CYS 2 -7.625 5.127 -4.414 13 H ARG 3 H ARG 3 -6.086 1.083 -2.935 14 HA ARG 3 HA ARG 3 -7.548 0.748 -0.519 15 1HB ARG 3 2HB ARG 3 -5.446 -0.724 -1.995 16 2HB ARG 3 1HB ARG 3 -5.488 -0.983 -0.259 17 1HG ARG 3 2HG ARG 3 -7.158 -2.100 -2.305 18 2HG ARG 3 1HG ARG 3 -7.051 -2.522 -0.600 19 1HD ARG 3 2HD ARG 3 -8.690 -0.886 -0.012 20 2HD ARG 3 1HD ARG 3 -8.660 -0.194 -1.634 21 HE ARG 3 HE ARG 3 -9.980 -1.946 -2.394 22 1HH1 ARG 3 1HH1 ARG 3 -9.033 -2.465 0.917 23 2HH1 ARG 3 2HH1 ARG 3 -10.190 -3.726 1.184 24 1HH2 ARG 3 1HH2 ARG 3 -11.505 -3.605 -2.053 25 2HH2 ARG 3 2HH2 ARG 3 -11.593 -4.377 -0.505 26 H TYR 4 H TYR 4 -7.304 2.241 0.894 27 HA TYR 4 HA TYR 4 -5.007 3.707 1.497 28 1HB TYR 4 2HB TYR 4 -7.615 3.729 2.346 29 2HB TYR 4 1HB TYR 4 -6.784 3.146 3.782 30 HD1 TYR 4 1HD TYR 4 -6.514 5.854 1.222 31 HD2 TYR 4 2HD TYR 4 -5.963 4.700 5.279 32 HE1 TYR 4 1HE TYR 4 -5.895 8.166 1.791 33 HE2 TYR 4 2HE TYR 4 -5.344 7.008 5.859 34 HH TYR 4 HH TYR 4 -5.077 9.519 3.377 35 H LEU 5 H LEU 5 -4.853 3.330 4.331 36 HA LEU 5 HA LEU 5 -2.837 1.328 4.445 37 1HB LEU 5 2HB LEU 5 -2.976 3.431 5.850 38 2HB LEU 5 1HB LEU 5 -4.204 2.614 6.800 39 HG LEU 5 HG LEU 5 -2.326 0.758 7.003 40 1HD1 LEU 5 1HD1 LEU 5 -0.760 1.891 5.511 41 2HD1 LEU 5 2HD1 LEU 5 -0.104 1.737 7.140 42 3HD1 LEU 5 3HD1 LEU 5 -0.743 3.283 6.590 43 1HD2 LEU 5 1HD2 LEU 5 -2.637 3.308 8.551 44 2HD2 LEU 5 2HD2 LEU 5 -1.484 2.068 9.042 45 3HD2 LEU 5 3HD2 LEU 5 -3.204 1.688 8.956 46 H PHE 6 H PHE 6 -3.120 -0.778 4.567 47 HA PHE 6 HA PHE 6 -3.841 -2.784 5.447 48 1HB PHE 6 2HB PHE 6 -4.677 -1.228 7.404 49 2HB PHE 6 1HB PHE 6 -6.257 -1.538 6.693 50 HD1 PHE 6 1HD PHE 6 -7.403 -3.055 7.970 51 HD2 PHE 6 2HD PHE 6 -3.254 -3.676 7.267 52 HE1 PHE 6 1HE PHE 6 -7.523 -5.193 9.184 53 HE2 PHE 6 2HE PHE 6 -3.363 -5.815 8.477 54 HZ PHE 6 HZ PHE 6 -5.501 -6.576 9.438 55 H GLY 7 H GLY 7 -4.635 -1.510 2.924 56 1HA GLY 7 2HA GLY 7 -7.306 -2.684 2.524 57 2HA GLY 7 1HA GLY 7 -6.561 -1.482 1.482 58 H GLY 8 H GLY 8 -7.585 -4.477 1.347 59 1HA GLY 8 2HA GLY 8 -5.440 -6.073 0.516 60 2HA GLY 8 1HA GLY 8 -7.112 -6.290 0.020 61 H CYS 9 H CYS 9 -4.052 -5.722 -1.075 62 HA CYS 9 HA CYS 9 -5.063 -4.565 -3.592 63 1HB CYS 9 2HB CYS 9 -2.701 -3.631 -3.844 64 2HB CYS 9 1HB CYS 9 -3.734 -2.853 -2.648 65 H LYS 10 H LYS 10 -4.365 -5.475 -5.492 66 HA LYS 10 HA LYS 10 -3.149 -8.096 -5.277 67 1HB LYS 10 2HB LYS 10 -4.637 -6.597 -7.361 68 2HB LYS 10 1HB LYS 10 -3.475 -7.789 -7.926 69 1HG LYS 10 2HG LYS 10 -5.454 -8.560 -5.834 70 2HG LYS 10 1HG LYS 10 -5.965 -8.446 -7.520 71 1HD LYS 10 2HD LYS 10 -3.513 -9.856 -7.479 72 2HD LYS 10 1HD LYS 10 -4.534 -10.547 -6.216 73 1HE LYS 10 2HE LYS 10 -6.266 -10.219 -8.340 74 2HE LYS 10 1HE LYS 10 -4.763 -10.724 -9.112 75 1HZ LYS 10 1HZ LYS 10 -4.757 -12.538 -7.316 76 2HZ LYS 10 2HZ LYS 10 -5.816 -12.709 -8.624 77 3HZ LYS 10 3HZ LYS 10 -6.398 -12.172 -7.130 78 H THR 11 H THR 11 -2.269 -4.903 -6.013 79 HA THR 11 HA THR 11 0.493 -5.656 -6.366 80 HB THR 11 HB THR 11 0.600 -5.459 -8.588 81 HG1 THR 11 1HG THR 11 0.452 -3.441 -9.483 82 1HG2 THR 11 1HG2 THR 11 -1.244 -5.261 -9.997 83 2HG2 THR 11 2HG2 THR 11 -2.151 -4.309 -8.820 84 3HG2 THR 11 3HG2 THR 11 -1.879 -6.030 -8.541 85 H THR 12 H THR 12 1.657 -3.391 -7.040 86 HA THR 12 HA THR 12 1.230 -1.720 -4.757 87 HB THR 12 HB THR 12 3.095 -1.651 -7.107 88 HG1 THR 12 1HG THR 12 3.857 -2.905 -5.510 89 1HG2 THR 12 1HG2 THR 12 2.715 0.650 -6.852 90 2HG2 THR 12 2HG2 THR 12 4.200 0.300 -5.969 91 3HG2 THR 12 3HG2 THR 12 2.686 0.527 -5.095 92 H SER 13 H SER 13 0.281 -1.674 -8.090 93 HA SER 13 HA SER 13 -0.553 1.071 -8.053 94 1HB SER 13 2HB SER 13 -1.559 0.386 -10.334 95 2HB SER 13 1HB SER 13 0.197 0.397 -10.172 96 HG SER 13 HG SER 13 0.099 -1.609 -10.759 97 H ASP 14 H ASP 14 -1.748 -1.293 -6.393 98 HA ASP 14 HA ASP 14 -4.561 -0.847 -7.117 99 1HB ASP 14 2HB ASP 14 -3.103 -3.109 -5.821 100 2HB ASP 14 1HB ASP 14 -4.789 -2.843 -5.384 101 H CYS 15 H CYS 15 -2.386 0.533 -5.178 102 HA CYS 15 HA CYS 15 -4.327 0.921 -2.996 103 1HB CYS 15 2HB CYS 15 -1.333 1.275 -2.761 104 2HB CYS 15 1HB CYS 15 -2.514 1.289 -1.459 105 H CYS 16 H CYS 16 -3.774 3.018 -1.778 106 HA CYS 16 HA CYS 16 -4.404 5.154 -3.459 107 1HB CYS 16 2HB CYS 16 -3.450 5.247 -0.618 108 2HB CYS 16 1HB CYS 16 -4.345 6.506 -1.469 109 H LYS 17 H LYS 17 -2.640 7.019 -1.872 110 HA LYS 17 HA LYS 17 -0.629 7.178 -3.959 111 1HB LYS 17 2HB LYS 17 -1.656 9.067 -1.873 112 2HB LYS 17 1HB LYS 17 -0.129 9.392 -2.682 113 1HG LYS 17 2HG LYS 17 -1.667 8.915 -4.820 114 2HG LYS 17 1HG LYS 17 -2.888 9.533 -3.705 115 1HD LYS 17 2HD LYS 17 -2.214 11.593 -4.202 116 2HD LYS 17 1HD LYS 17 -0.671 11.225 -3.428 117 1HE LYS 17 2HE LYS 17 -0.250 12.031 -5.651 118 2HE LYS 17 1HE LYS 17 0.138 10.313 -5.585 119 1HZ LYS 17 1HZ LYS 17 -2.520 11.216 -6.486 120 2HZ LYS 17 2HZ LYS 17 -1.725 9.761 -6.815 121 3HZ LYS 17 3HZ LYS 17 -1.212 11.189 -7.560 122 H HIS 18 H HIS 18 -0.389 8.013 -0.550 123 HA HIS 18 HA HIS 18 2.342 7.488 -0.424 124 1HB HIS 18 2HB HIS 18 0.344 7.680 1.823 125 2HB HIS 18 1HB HIS 18 2.092 7.751 2.019 126 HD1 HIS 18 1HD HIS 18 -0.016 10.053 2.727 127 HD2 HIS 18 2HD HIS 18 2.462 9.886 -0.604 128 HE1 HIS 18 1HE HIS 18 0.236 12.433 1.956 129 HE2 HIS 18 2HE HIS 18 1.757 12.311 -0.047 130 H LEU 19 H LEU 19 -0.191 5.349 -0.526 131 HA LEU 19 HA LEU 19 1.090 3.321 1.115 132 1HB LEU 19 2HB LEU 19 -1.530 3.396 -0.357 133 2HB LEU 19 1HB LEU 19 -0.955 1.991 0.519 134 HG LEU 19 HG LEU 19 -0.821 4.312 2.206 135 1HD1 LEU 19 1HD1 LEU 19 -2.558 5.401 1.173 136 2HD1 LEU 19 2HD1 LEU 19 -3.420 4.415 2.353 137 3HD1 LEU 19 3HD1 LEU 19 -3.338 3.904 0.667 138 1HD2 LEU 19 1HD2 LEU 19 -2.348 1.723 2.277 139 2HD2 LEU 19 2HD2 LEU 19 -2.348 2.903 3.588 140 3HD2 LEU 19 3HD2 LEU 19 -0.844 2.118 3.111 141 H GLY 20 H GLY 20 2.167 1.624 0.403 142 1HA GLY 20 2HA GLY 20 2.195 1.104 -2.504 143 2HA GLY 20 1HA GLY 20 3.658 1.057 -1.527 144 H CYS 21 H CYS 21 1.693 -0.921 -3.076 145 HA CYS 21 HA CYS 21 1.097 -2.850 -1.063 146 1HB CYS 21 2HB CYS 21 -0.117 -2.451 -3.312 147 2HB CYS 21 1HB CYS 21 1.159 -3.446 -4.004 148 H LYS 22 H LYS 22 1.963 -5.000 -0.937 149 HA LYS 22 HA LYS 22 4.617 -5.366 -2.128 150 1HB LYS 22 2HB LYS 22 5.510 -6.160 0.024 151 2HB LYS 22 1HB LYS 22 5.017 -4.474 0.102 152 1HG LYS 22 2HG LYS 22 2.764 -5.920 0.875 153 2HG LYS 22 1HG LYS 22 4.125 -6.723 1.662 154 1HD LYS 22 2HD LYS 22 3.096 -4.880 3.002 155 2HD LYS 22 1HD LYS 22 4.822 -4.679 2.694 156 1HE LYS 22 2HE LYS 22 3.296 -3.476 0.580 157 2HE LYS 22 1HE LYS 22 2.746 -2.865 2.139 158 1HZ LYS 22 1HZ LYS 22 4.720 -1.859 2.545 159 2HZ LYS 22 2HZ LYS 22 4.780 -1.811 0.855 160 3HZ LYS 22 3HZ LYS 22 5.629 -3.007 1.695 161 H PHE 23 H PHE 23 4.572 -7.208 -3.221 162 HA PHE 23 HA PHE 23 2.598 -9.124 -3.153 163 1HB PHE 23 2HB PHE 23 5.417 -9.896 -3.823 164 2HB PHE 23 1HB PHE 23 3.917 -10.389 -4.601 165 HD1 PHE 23 1HD PHE 23 2.572 -7.954 -5.252 166 HD2 PHE 23 2HD PHE 23 6.740 -8.810 -5.347 167 HE1 PHE 23 1HE PHE 23 2.887 -6.209 -6.959 168 HE2 PHE 23 2HE PHE 23 7.062 -7.067 -7.053 169 HZ PHE 23 HZ PHE 23 5.135 -5.765 -7.861 170 H ARG 24 H ARG 24 2.052 -9.771 -1.089 171 HA ARG 24 HA ARG 24 2.941 -12.080 -0.045 172 1HB ARG 24 2HB ARG 24 4.873 -9.979 0.514 173 2HB ARG 24 1HB ARG 24 4.272 -10.723 1.990 174 1HG ARG 24 2HG ARG 24 5.180 -12.767 1.497 175 2HG ARG 24 1HG ARG 24 5.152 -12.482 -0.245 176 1HD ARG 24 2HD ARG 24 6.844 -10.520 0.743 177 2HD ARG 24 1HD ARG 24 7.243 -11.950 1.691 178 HE ARG 24 HE ARG 24 7.174 -12.845 -0.883 179 1HH1 ARG 24 1HH1 ARG 24 8.868 -10.299 0.780 180 2HH1 ARG 24 2HH1 ARG 24 10.264 -10.382 -0.240 181 1HH2 ARG 24 1HH2 ARG 24 9.009 -12.964 -2.237 182 2HH2 ARG 24 2HH2 ARG 24 10.345 -11.899 -1.956 183 H ASP 25 H ASP 25 2.916 -9.123 1.920 184 HA ASP 25 HA ASP 25 1.049 -10.041 3.766 185 1HB ASP 25 2HB ASP 25 1.353 -7.135 3.009 186 2HB ASP 25 1HB ASP 25 0.913 -7.808 4.575 187 H LYS 26 H LYS 26 0.623 -8.373 0.713 188 HA LYS 26 HA LYS 26 -1.200 -8.477 -0.691 189 1HB LYS 26 2HB LYS 26 -1.935 -10.447 0.808 190 2HB LYS 26 1HB LYS 26 -2.978 -9.268 1.591 191 1HG LYS 26 2HG LYS 26 -3.917 -8.756 -0.692 192 2HG LYS 26 1HG LYS 26 -3.039 -10.174 -1.272 193 1HD LYS 26 2HD LYS 26 -4.290 -11.629 0.116 194 2HD LYS 26 1HD LYS 26 -4.962 -10.286 1.041 195 1HE LYS 26 2HE LYS 26 -6.640 -10.029 -0.400 196 2HE LYS 26 1HE LYS 26 -5.539 -10.015 -1.777 197 1HZ LYS 26 1HZ LYS 26 -6.943 -11.850 -2.089 198 2HZ LYS 26 2HZ LYS 26 -6.805 -12.357 -0.482 199 3HZ LYS 26 3HZ LYS 26 -5.489 -12.510 -1.533 200 H TYR 27 H TYR 27 -1.143 -6.875 2.375 201 HA TYR 27 HA TYR 27 -3.271 -5.050 1.586 202 1HB TYR 27 2HB TYR 27 -2.815 -3.972 3.813 203 2HB TYR 27 1HB TYR 27 -3.347 -5.645 3.886 204 HD1 TYR 27 1HD TYR 27 -0.053 -3.905 3.497 205 HD2 TYR 27 2HD TYR 27 -2.332 -6.843 5.565 206 HE1 TYR 27 1HE TYR 27 1.910 -4.450 4.875 207 HE2 TYR 27 2HE TYR 27 -0.375 -7.396 6.949 208 HH TYR 27 HH TYR 27 1.735 -6.912 7.431 209 H CYS 28 H CYS 28 -2.608 -2.670 2.487 210 HA CYS 28 HA CYS 28 -0.270 -1.913 0.860 211 1HB CYS 28 2HB CYS 28 -2.604 -0.136 1.578 212 2HB CYS 28 1HB CYS 28 -1.347 0.172 0.383 213 H ALA 29 H ALA 29 1.373 -0.879 1.801 214 HA ALA 29 HA ALA 29 0.952 0.240 4.497 215 1HB ALA 29 1HB ALA 29 2.464 -1.988 3.938 216 2HB ALA 29 2HB ALA 29 2.606 -0.977 5.375 217 3HB ALA 29 3HB ALA 29 3.664 -0.697 3.992 218 H TRP 30 H TRP 30 2.045 2.142 4.987 219 HA TRP 30 HA TRP 30 2.374 4.041 3.068 220 1HB TRP 30 2HB TRP 30 3.996 3.850 5.610 221 2HB TRP 30 1HB TRP 30 3.761 5.304 4.647 222 HD1 TRP 30 HD TRP 30 2.517 3.763 7.626 223 HE1 TRP 30 1HE TRP 30 0.198 4.668 8.297 224 HE3 TRP 30 3HE TRP 30 1.256 6.021 3.236 225 HZ2 TRP 30 2HZ TRP 30 -1.893 6.149 7.101 226 HZ3 TRP 30 3HZ TRP 30 -0.923 7.158 3.072 227 HH2 TRP 30 HH TRP 30 -2.462 7.220 4.964 228 H ASP 31 H ASP 31 3.800 4.612 1.633 229 HA ASP 31 HA ASP 31 5.385 3.886 0.010 230 1HB ASP 31 2HB ASP 31 5.935 6.012 1.403 231 2HB ASP 31 1HB ASP 31 7.207 5.014 2.101 232 H PHE 32 H PHE 32 4.920 1.525 1.122 233 HA PHE 32 HA PHE 32 5.798 -0.482 1.804 234 1HB PHE 32 2HB PHE 32 7.925 -1.063 0.584 235 2HB PHE 32 1HB PHE 32 6.621 -0.471 -0.442 236 HD1 PHE 32 1HD PHE 32 6.734 1.762 -1.430 237 HD2 PHE 32 2HD PHE 32 9.951 0.177 0.863 238 HE1 PHE 32 1HE PHE 32 8.231 3.490 -2.343 239 HE2 PHE 32 2HE PHE 32 11.453 1.902 -0.045 240 HZ PHE 32 HZ PHE 32 10.594 3.560 -1.650 241 H THR 33 H THR 33 6.093 -0.301 4.005 242 HA THR 33 HA THR 33 8.865 0.066 4.862 243 HB THR 33 HB THR 33 8.207 1.463 6.756 244 HG1 THR 33 1HG THR 33 6.141 0.982 7.187 245 1HG2 THR 33 1HG2 THR 33 8.800 2.997 5.217 246 2HG2 THR 33 2HG2 THR 33 7.085 3.400 5.311 247 3HG2 THR 33 3HG2 THR 33 7.682 2.375 4.005 248 H PHE 34 H PHE 34 9.240 -0.751 7.080 249 HA PHE 34 HA PHE 34 7.267 -2.732 7.960 250 1HB PHE 34 2HB PHE 34 10.029 -3.689 8.160 251 2HB PHE 34 1HB PHE 34 8.581 -4.531 7.618 252 HD1 PHE 34 1HD PHE 34 11.664 -3.114 6.633 253 HD2 PHE 34 2HD PHE 34 7.722 -3.927 5.253 254 HE1 PHE 34 1HE PHE 34 12.450 -2.957 4.307 255 HE2 PHE 34 2HE PHE 34 8.500 -3.772 2.924 256 HZ PHE 34 HZ PHE 34 10.868 -3.287 2.450 257 H SER 35 H SER 35 6.800 -2.185 9.979 258 HA SER 35 HA SER 35 9.000 -1.330 11.746 259 1HB SER 35 2HB SER 35 6.084 -0.559 12.003 260 2HB SER 35 1HB SER 35 7.434 0.064 12.950 261 HG SER 35 HG SER 35 7.266 0.337 10.136 Start of MODEL 13 1 HA GLU 1 HA GLU 1 -10.241 3.193 -6.243 2 1HB GLU 1 2HB GLU 1 -8.911 1.523 -8.139 3 2HB GLU 1 1HB GLU 1 -8.120 1.317 -6.584 4 1HG GLU 1 2HG GLU 1 -11.018 1.297 -6.383 5 2HG GLU 1 1HG GLU 1 -10.390 0.031 -7.435 6 1HT GLU 1 1HT GLU 1 -10.219 4.433 -8.004 7 2HT GLU 1 2HT GLU 1 -9.332 3.197 -8.798 8 3HT GLU 1 3HT GLU 1 -8.508 4.496 -8.038 9 H CYS 2 H CYS 2 -8.602 2.218 -4.469 10 HA CYS 2 HA CYS 2 -6.054 3.050 -4.071 11 1HB CYS 2 2HB CYS 2 -6.060 5.291 -4.000 12 2HB CYS 2 1HB CYS 2 -7.796 5.331 -4.181 13 H ARG 3 H ARG 3 -5.969 1.311 -2.884 14 HA ARG 3 HA ARG 3 -7.659 0.946 -0.596 15 1HB ARG 3 2HB ARG 3 -5.765 -0.664 -2.148 16 2HB ARG 3 1HB ARG 3 -5.652 -0.943 -0.418 17 1HG ARG 3 2HG ARG 3 -7.468 -2.077 -2.221 18 2HG ARG 3 1HG ARG 3 -7.456 -2.238 -0.467 19 1HD ARG 3 2HD ARG 3 -8.998 -0.482 -0.189 20 2HD ARG 3 1HD ARG 3 -8.758 0.098 -1.836 21 HE ARG 3 HE ARG 3 -10.344 -1.389 -2.543 22 1HH1 ARG 3 1HH1 ARG 3 -9.211 -2.373 0.598 23 2HH1 ARG 3 2HH1 ARG 3 -10.377 -3.644 0.765 24 1HH2 ARG 3 1HH2 ARG 3 -11.886 -3.054 -2.335 25 2HH2 ARG 3 2HH2 ARG 3 -11.900 -4.031 -0.904 26 H TYR 4 H TYR 4 -7.307 2.491 0.769 27 HA TYR 4 HA TYR 4 -4.924 3.707 1.483 28 1HB TYR 4 2HB TYR 4 -7.569 3.880 2.300 29 2HB TYR 4 1HB TYR 4 -6.739 3.345 3.756 30 HD1 TYR 4 1HD TYR 4 -6.735 5.983 1.142 31 HD2 TYR 4 2HD TYR 4 -5.502 4.864 5.059 32 HE1 TYR 4 1HE TYR 4 -6.020 8.297 1.574 33 HE2 TYR 4 2HE TYR 4 -4.785 7.174 5.500 34 HH TYR 4 HH TYR 4 -4.374 9.185 4.570 35 H LEU 5 H LEU 5 -4.685 3.388 4.261 36 HA LEU 5 HA LEU 5 -2.839 1.321 4.478 37 1HB LEU 5 2HB LEU 5 -3.734 3.374 6.106 38 2HB LEU 5 1HB LEU 5 -4.143 1.927 7.008 39 HG LEU 5 HG LEU 5 -2.042 2.294 7.819 40 1HD1 LEU 5 1HD1 LEU 5 -1.073 0.950 5.335 41 2HD1 LEU 5 2HD1 LEU 5 -2.201 0.122 6.410 42 3HD1 LEU 5 3HD1 LEU 5 -0.632 0.654 7.015 43 1HD2 LEU 5 1HD2 LEU 5 -0.325 2.985 5.729 44 2HD2 LEU 5 2HD2 LEU 5 -0.942 4.040 7.000 45 3HD2 LEU 5 3HD2 LEU 5 -1.794 3.923 5.459 46 H PHE 6 H PHE 6 -2.972 -0.792 4.748 47 HA PHE 6 HA PHE 6 -3.750 -2.873 5.215 48 1HB PHE 6 2HB PHE 6 -5.692 -1.268 6.856 49 2HB PHE 6 1HB PHE 6 -5.825 -3.017 6.728 50 HD1 PHE 6 1HD PHE 6 -3.958 -0.240 8.135 51 HD2 PHE 6 2HD PHE 6 -4.085 -4.466 7.653 52 HE1 PHE 6 1HE PHE 6 -2.306 -0.490 9.940 53 HE2 PHE 6 2HE PHE 6 -2.433 -4.726 9.459 54 HZ PHE 6 HZ PHE 6 -1.542 -2.735 10.605 55 H GLY 7 H GLY 7 -4.705 -1.295 2.863 56 1HA GLY 7 2HA GLY 7 -7.356 -2.487 2.444 57 2HA GLY 7 1HA GLY 7 -6.615 -1.250 1.440 58 H GLY 8 H GLY 8 -7.133 -4.602 1.887 59 1HA GLY 8 2HA GLY 8 -5.222 -6.029 0.710 60 2HA GLY 8 1HA GLY 8 -6.904 -6.255 0.255 61 H CYS 9 H CYS 9 -3.917 -5.810 -0.976 62 HA CYS 9 HA CYS 9 -4.987 -4.584 -3.430 63 1HB CYS 9 2HB CYS 9 -2.626 -3.673 -3.766 64 2HB CYS 9 1HB CYS 9 -3.606 -2.892 -2.528 65 H LYS 10 H LYS 10 -4.265 -5.414 -5.378 66 HA LYS 10 HA LYS 10 -3.122 -8.081 -5.231 67 1HB LYS 10 2HB LYS 10 -5.043 -6.900 -6.858 68 2HB LYS 10 1HB LYS 10 -3.645 -7.074 -7.910 69 1HG LYS 10 2HG LYS 10 -5.089 -9.005 -8.087 70 2HG LYS 10 1HG LYS 10 -3.542 -9.459 -7.368 71 1HD LYS 10 2HD LYS 10 -4.563 -10.232 -5.550 72 2HD LYS 10 1HD LYS 10 -5.375 -8.685 -5.305 73 1HE LYS 10 2HE LYS 10 -7.291 -9.375 -6.306 74 2HE LYS 10 1HE LYS 10 -6.446 -10.430 -7.438 75 1HZ LYS 10 1HZ LYS 10 -6.798 -11.026 -4.551 76 2HZ LYS 10 2HZ LYS 10 -6.161 -12.059 -5.732 77 3HZ LYS 10 3HZ LYS 10 -7.797 -11.631 -5.777 78 H THR 11 H THR 11 -2.249 -4.891 -6.015 79 HA THR 11 HA THR 11 0.502 -5.665 -6.437 80 HB THR 11 HB THR 11 0.524 -5.450 -8.659 81 HG1 THR 11 1HG THR 11 1.049 -3.469 -8.996 82 1HG2 THR 11 1HG2 THR 11 -1.342 -5.315 -9.970 83 2HG2 THR 11 2HG2 THR 11 -2.127 -4.136 -8.918 84 3HG2 THR 11 3HG2 THR 11 -2.046 -5.831 -8.439 85 H THR 12 H THR 12 1.682 -3.419 -7.077 86 HA THR 12 HA THR 12 1.336 -1.787 -4.764 87 HB THR 12 HB THR 12 3.092 -1.632 -7.194 88 HG1 THR 12 1HG THR 12 3.328 -2.788 -4.904 89 1HG2 THR 12 1HG2 THR 12 2.979 0.415 -4.997 90 2HG2 THR 12 2HG2 THR 12 2.543 0.676 -6.686 91 3HG2 THR 12 3HG2 THR 12 4.213 0.306 -6.253 92 H SER 13 H SER 13 0.288 -1.624 -8.076 93 HA SER 13 HA SER 13 -0.550 1.109 -7.922 94 1HB SER 13 2HB SER 13 -1.489 -0.767 -10.058 95 2HB SER 13 1HB SER 13 -1.080 0.945 -10.177 96 HG SER 13 HG SER 13 0.635 -1.287 -10.049 97 H ASP 14 H ASP 14 -1.716 -1.409 -6.366 98 HA ASP 14 HA ASP 14 -4.546 -0.908 -6.947 99 1HB ASP 14 2HB ASP 14 -3.037 -3.151 -5.685 100 2HB ASP 14 1HB ASP 14 -4.702 -2.881 -5.176 101 H CYS 15 H CYS 15 -2.389 0.594 -5.161 102 HA CYS 15 HA CYS 15 -4.245 0.976 -2.906 103 1HB CYS 15 2HB CYS 15 -1.250 1.296 -2.743 104 2HB CYS 15 1HB CYS 15 -2.400 1.282 -1.410 105 H CYS 16 H CYS 16 -3.922 3.037 -1.783 106 HA CYS 16 HA CYS 16 -4.420 5.189 -3.421 107 1HB CYS 16 2HB CYS 16 -3.411 5.270 -0.591 108 2HB CYS 16 1HB CYS 16 -4.322 6.532 -1.423 109 H LYS 17 H LYS 17 -2.663 7.071 -1.918 110 HA LYS 17 HA LYS 17 -0.581 7.105 -3.942 111 1HB LYS 17 2HB LYS 17 -1.298 9.182 -1.871 112 2HB LYS 17 1HB LYS 17 -0.176 9.400 -3.208 113 1HG LYS 17 2HG LYS 17 -2.843 8.500 -4.008 114 2HG LYS 17 1HG LYS 17 -2.803 10.090 -3.243 115 1HD LYS 17 2HD LYS 17 -0.784 10.475 -4.875 116 2HD LYS 17 1HD LYS 17 -1.542 9.167 -5.785 117 1HE LYS 17 2HE LYS 17 -3.174 10.499 -6.521 118 2HE LYS 17 1HE LYS 17 -3.466 11.156 -4.911 119 1HZ LYS 17 1HZ LYS 17 -2.231 12.408 -7.066 120 2HZ LYS 17 2HZ LYS 17 -1.034 12.168 -5.896 121 3HZ LYS 17 3HZ LYS 17 -2.446 13.013 -5.499 122 H HIS 18 H HIS 18 -0.493 8.088 -0.557 123 HA HIS 18 HA HIS 18 2.226 7.670 -0.274 124 1HB HIS 18 2HB HIS 18 -0.019 8.031 1.651 125 2HB HIS 18 1HB HIS 18 1.587 7.639 2.258 126 HD1 HIS 18 1HD HIS 18 -0.003 10.409 2.623 127 HD2 HIS 18 2HD HIS 18 3.130 9.652 0.002 128 HE1 HIS 18 1HE HIS 18 1.019 12.653 2.131 129 HE2 HIS 18 2HE HIS 18 2.857 12.180 0.474 130 H LEU 19 H LEU 19 -0.204 5.392 -0.457 131 HA LEU 19 HA LEU 19 1.206 3.421 1.165 132 1HB LEU 19 2HB LEU 19 -1.464 3.415 -0.210 133 2HB LEU 19 1HB LEU 19 -0.770 1.961 0.481 134 HG LEU 19 HG LEU 19 -0.665 4.063 2.421 135 1HD1 LEU 19 1HD1 LEU 19 -3.325 3.920 2.601 136 2HD1 LEU 19 2HD1 LEU 19 -3.154 3.875 0.846 137 3HD1 LEU 19 3HD1 LEU 19 -2.483 5.224 1.762 138 1HD2 LEU 19 1HD2 LEU 19 -1.376 2.420 3.812 139 2HD2 LEU 19 2HD2 LEU 19 -0.831 1.415 2.469 140 3HD2 LEU 19 3HD2 LEU 19 -2.545 1.788 2.652 141 H GLY 20 H GLY 20 1.834 1.394 0.395 142 1HA GLY 20 2HA GLY 20 2.037 1.055 -2.510 143 2HA GLY 20 1HA GLY 20 3.524 1.057 -1.567 144 H CYS 21 H CYS 21 1.715 -1.006 -3.116 145 HA CYS 21 HA CYS 21 1.165 -2.958 -1.107 146 1HB CYS 21 2HB CYS 21 0.011 -2.587 -3.417 147 2HB CYS 21 1HB CYS 21 1.305 -3.614 -4.023 148 H LYS 22 H LYS 22 2.661 -4.169 -0.164 149 HA LYS 22 HA LYS 22 5.257 -4.528 -1.402 150 1HB LYS 22 2HB LYS 22 4.365 -5.739 1.204 151 2HB LYS 22 1HB LYS 22 5.998 -5.338 0.690 152 1HG LYS 22 2HG LYS 22 5.813 -3.187 1.324 153 2HG LYS 22 1HG LYS 22 4.122 -3.075 0.829 154 1HD LYS 22 2HD LYS 22 3.677 -3.080 3.027 155 2HD LYS 22 1HD LYS 22 3.993 -4.815 2.938 156 1HE LYS 22 2HE LYS 22 5.338 -4.115 4.700 157 2HE LYS 22 1HE LYS 22 6.452 -4.168 3.335 158 1HZ LYS 22 1HZ LYS 22 6.785 -2.151 4.555 159 2HZ LYS 22 2HZ LYS 22 5.146 -1.751 4.459 160 3HZ LYS 22 3HZ LYS 22 6.095 -1.760 3.060 161 H PHE 23 H PHE 23 6.167 -6.910 -0.789 162 HA PHE 23 HA PHE 23 4.573 -8.687 -2.410 163 1HB PHE 23 2HB PHE 23 7.229 -8.192 -2.414 164 2HB PHE 23 1HB PHE 23 7.177 -9.610 -1.374 165 HD1 PHE 23 1HD PHE 23 8.046 -8.860 -4.458 166 HD2 PHE 23 2HD PHE 23 5.089 -11.238 -2.529 167 HE1 PHE 23 1HE PHE 23 7.923 -10.310 -6.443 168 HE2 PHE 23 2HE PHE 23 4.961 -12.691 -4.510 169 HZ PHE 23 HZ PHE 23 6.379 -12.229 -6.470 170 H ARG 24 H ARG 24 3.303 -10.199 -1.565 171 HA ARG 24 HA ARG 24 2.644 -11.943 -0.223 172 1HB ARG 24 2HB ARG 24 5.317 -11.680 0.513 173 2HB ARG 24 1HB ARG 24 4.437 -11.575 2.031 174 1HG ARG 24 2HG ARG 24 4.377 -13.815 0.028 175 2HG ARG 24 1HG ARG 24 5.002 -13.853 1.677 176 1HD ARG 24 2HD ARG 24 2.371 -12.993 1.939 177 2HD ARG 24 1HD ARG 24 2.306 -14.254 0.708 178 HE ARG 24 HE ARG 24 2.953 -14.577 3.512 179 1HH1 ARG 24 1HH1 ARG 24 3.034 -15.963 0.319 180 2HH1 ARG 24 2HH1 ARG 24 3.168 -17.593 0.886 181 1HH2 ARG 24 1HH2 ARG 24 3.124 -16.722 4.274 182 2HH2 ARG 24 2HH2 ARG 24 3.219 -18.026 3.136 183 H ASP 25 H ASP 25 3.618 -8.942 1.395 184 HA ASP 25 HA ASP 25 2.275 -8.886 3.700 185 1HB ASP 25 2HB ASP 25 1.790 -6.482 3.323 186 2HB ASP 25 1HB ASP 25 3.429 -6.921 2.852 187 H LYS 26 H LYS 26 0.723 -8.366 0.545 188 HA LYS 26 HA LYS 26 -1.384 -9.032 -0.123 189 1HB LYS 26 2HB LYS 26 -1.223 -10.562 2.009 190 2HB LYS 26 1HB LYS 26 -2.318 -9.370 2.698 191 1HG LYS 26 2HG LYS 26 -3.586 -9.844 0.388 192 2HG LYS 26 1HG LYS 26 -2.790 -11.403 0.614 193 1HD LYS 26 2HD LYS 26 -3.815 -11.690 2.756 194 2HD LYS 26 1HD LYS 26 -4.445 -10.042 2.733 195 1HE LYS 26 2HE LYS 26 -5.818 -10.640 0.765 196 2HE LYS 26 1HE LYS 26 -5.239 -12.301 0.897 197 1HZ LYS 26 1HZ LYS 26 -6.542 -10.990 3.193 198 2HZ LYS 26 2HZ LYS 26 -6.406 -12.639 2.846 199 3HZ LYS 26 3HZ LYS 26 -7.476 -11.675 1.960 200 H TYR 27 H TYR 27 -0.778 -6.743 2.417 201 HA TYR 27 HA TYR 27 -3.190 -5.254 1.611 202 1HB TYR 27 2HB TYR 27 -2.845 -4.031 3.822 203 2HB TYR 27 1HB TYR 27 -3.400 -5.696 3.918 204 HD1 TYR 27 1HD TYR 27 -2.314 -7.152 5.360 205 HD2 TYR 27 2HD TYR 27 -0.246 -3.702 3.974 206 HE1 TYR 27 1HE TYR 27 -0.435 -7.686 6.852 207 HE2 TYR 27 2HE TYR 27 1.640 -4.229 5.462 208 HH TYR 27 HH TYR 27 1.458 -6.832 7.807 209 H CYS 28 H CYS 28 -2.703 -2.780 2.446 210 HA CYS 28 HA CYS 28 -0.388 -1.960 0.824 211 1HB CYS 28 2HB CYS 28 -2.828 -0.334 1.565 212 2HB CYS 28 1HB CYS 28 -1.541 0.159 0.471 213 H ALA 29 H ALA 29 1.246 -0.891 1.729 214 HA ALA 29 HA ALA 29 0.844 0.306 4.388 215 1HB ALA 29 1HB ALA 29 3.407 -1.062 3.639 216 2HB ALA 29 2HB ALA 29 2.072 -1.944 4.379 217 3HB ALA 29 3HB ALA 29 2.824 -0.600 5.237 218 H TRP 30 H TRP 30 1.961 2.208 4.785 219 HA TRP 30 HA TRP 30 2.309 4.064 2.895 220 1HB TRP 30 2HB TRP 30 4.069 3.687 5.319 221 2HB TRP 30 1HB TRP 30 4.049 5.146 4.337 222 HD1 TRP 30 HD TRP 30 2.939 4.355 7.493 223 HE1 TRP 30 1HE TRP 30 0.708 5.458 8.157 224 HE3 TRP 30 3HE TRP 30 1.244 5.597 2.840 225 HZ2 TRP 30 2HZ TRP 30 -1.479 6.690 6.869 226 HZ3 TRP 30 3HZ TRP 30 -0.928 6.734 2.641 227 HH2 TRP 30 HH TRP 30 -2.260 7.268 4.615 228 H ASP 31 H ASP 31 3.797 4.773 1.465 229 HA ASP 31 HA ASP 31 6.373 4.400 1.031 230 1HB ASP 31 2HB ASP 31 5.042 1.784 0.736 231 2HB ASP 31 1HB ASP 31 6.139 2.209 -0.575 232 H PHE 32 H PHE 32 6.226 6.102 -0.329 233 HA PHE 32 HA PHE 32 5.162 5.593 -2.968 234 1HB PHE 32 2HB PHE 32 3.306 6.681 -1.851 235 2HB PHE 32 1HB PHE 32 4.366 7.968 -1.282 236 HD1 PHE 32 1HD PHE 32 3.096 9.746 -2.256 237 HD2 PHE 32 2HD PHE 32 4.581 6.569 -4.666 238 HE1 PHE 32 1HE PHE 32 2.594 11.053 -4.279 239 HE2 PHE 32 2HE PHE 32 4.083 7.871 -6.695 240 HZ PHE 32 HZ PHE 32 3.089 10.116 -6.502 241 H THR 33 H THR 33 6.905 5.842 -4.199 242 HA THR 33 HA THR 33 8.744 8.058 -3.605 243 HB THR 33 HB THR 33 10.465 6.829 -4.715 244 HG1 THR 33 1HG THR 33 9.473 5.926 -6.441 245 1HG2 THR 33 1HG2 THR 33 10.637 5.755 -2.770 246 2HG2 THR 33 2HG2 THR 33 9.931 4.394 -3.640 247 3HG2 THR 33 3HG2 THR 33 8.903 5.449 -2.671 248 H PHE 34 H PHE 34 9.856 8.963 -5.593 249 HA PHE 34 HA PHE 34 7.874 9.311 -7.745 250 1HB PHE 34 2HB PHE 34 8.568 11.282 -6.124 251 2HB PHE 34 1HB PHE 34 9.957 11.384 -7.201 252 HD1 PHE 34 1HD PHE 34 8.489 10.575 -9.744 253 HD2 PHE 34 2HD PHE 34 7.554 13.344 -6.651 254 HE1 PHE 34 1HE PHE 34 7.155 11.896 -11.335 255 HE2 PHE 34 2HE PHE 34 6.216 14.669 -8.235 256 HZ PHE 34 HZ PHE 34 6.018 13.945 -10.581 257 H SER 35 H SER 35 9.801 7.242 -7.733 258 HA SER 35 HA SER 35 11.004 7.686 -10.282 259 1HB SER 35 2HB SER 35 12.601 8.787 -8.584 260 2HB SER 35 1HB SER 35 12.980 7.142 -8.074 261 HG SER 35 HG SER 35 14.401 7.952 -9.709 Start of MODEL 14 1 HA GLU 1 HA GLU 1 -10.123 3.283 -6.607 2 1HB GLU 1 2HB GLU 1 -11.863 4.045 -4.901 3 2HB GLU 1 1HB GLU 1 -12.416 2.944 -6.157 4 1HG GLU 1 2HG GLU 1 -12.534 1.136 -4.681 5 2HG GLU 1 1HG GLU 1 -11.542 1.947 -3.472 6 1HT GLU 1 1HT GLU 1 -10.365 0.825 -5.006 7 2HT GLU 1 2HT GLU 1 -9.192 1.145 -6.217 8 3HT GLU 1 3HT GLU 1 -10.849 1.018 -6.639 9 H CYS 2 H CYS 2 -7.862 2.313 -5.460 10 HA CYS 2 HA CYS 2 -6.151 2.962 -4.107 11 1HB CYS 2 2HB CYS 2 -6.180 5.202 -4.015 12 2HB CYS 2 1HB CYS 2 -7.915 5.227 -4.201 13 H ARG 3 H ARG 3 -5.929 1.335 -2.855 14 HA ARG 3 HA ARG 3 -7.637 0.868 -0.585 15 1HB ARG 3 2HB ARG 3 -5.634 -0.644 -2.117 16 2HB ARG 3 1HB ARG 3 -5.575 -0.934 -0.386 17 1HG ARG 3 2HG ARG 3 -7.256 -2.141 -2.251 18 2HG ARG 3 1HG ARG 3 -7.343 -2.276 -0.496 19 1HD ARG 3 2HD ARG 3 -9.007 -0.658 -0.329 20 2HD ARG 3 1HD ARG 3 -8.621 0.038 -1.903 21 HE ARG 3 HE ARG 3 -9.488 -2.565 -2.354 22 1HH1 ARG 3 1HH1 ARG 3 -10.781 0.407 -1.078 23 2HH1 ARG 3 2HH1 ARG 3 -12.402 0.069 -1.588 24 1HH2 ARG 3 1HH2 ARG 3 -11.614 -3.017 -3.028 25 2HH2 ARG 3 2HH2 ARG 3 -12.875 -1.877 -2.697 26 H TYR 4 H TYR 4 -7.372 2.308 0.877 27 HA TYR 4 HA TYR 4 -5.098 3.727 1.578 28 1HB TYR 4 2HB TYR 4 -7.720 3.544 2.490 29 2HB TYR 4 1HB TYR 4 -6.770 3.066 3.889 30 HD1 TYR 4 1HD TYR 4 -8.472 5.424 3.971 31 HD2 TYR 4 2HD TYR 4 -4.445 5.053 2.654 32 HE1 TYR 4 1HE TYR 4 -8.086 7.794 4.498 33 HE2 TYR 4 2HE TYR 4 -4.048 7.418 3.177 34 HH TYR 4 HH TYR 4 -6.315 9.312 4.954 35 H LEU 5 H LEU 5 -4.804 3.297 4.347 36 HA LEU 5 HA LEU 5 -2.754 1.362 4.389 37 1HB LEU 5 2HB LEU 5 -3.286 3.451 5.931 38 2HB LEU 5 1HB LEU 5 -4.053 2.226 6.925 39 HG LEU 5 HG LEU 5 -1.529 1.184 6.272 40 1HD1 LEU 5 1HD1 LEU 5 0.009 2.809 6.351 41 2HD1 LEU 5 2HD1 LEU 5 -0.885 3.735 7.558 42 3HD1 LEU 5 3HD1 LEU 5 -1.317 3.858 5.853 43 1HD2 LEU 5 1HD2 LEU 5 -2.281 0.618 8.348 44 2HD2 LEU 5 2HD2 LEU 5 -2.915 2.228 8.683 45 3HD2 LEU 5 3HD2 LEU 5 -1.181 1.923 8.787 46 H PHE 6 H PHE 6 -2.873 -0.765 4.546 47 HA PHE 6 HA PHE 6 -3.493 -2.849 5.247 48 1HB PHE 6 2HB PHE 6 -4.409 -1.305 7.304 49 2HB PHE 6 1HB PHE 6 -5.901 -2.052 6.741 50 HD1 PHE 6 1HD PHE 6 -2.629 -2.643 8.261 51 HD2 PHE 6 2HD PHE 6 -6.259 -4.432 6.943 52 HE1 PHE 6 1HE PHE 6 -2.064 -4.695 9.498 53 HE2 PHE 6 2HE PHE 6 -5.701 -6.485 8.179 54 HZ PHE 6 HZ PHE 6 -3.601 -6.618 9.459 55 H GLY 7 H GLY 7 -4.619 -1.352 2.928 56 1HA GLY 7 2HA GLY 7 -7.259 -2.593 2.650 57 2HA GLY 7 1HA GLY 7 -6.560 -1.395 1.570 58 H GLY 8 H GLY 8 -7.753 -4.174 1.200 59 1HA GLY 8 2HA GLY 8 -5.763 -5.982 0.416 60 2HA GLY 8 1HA GLY 8 -7.410 -5.964 -0.197 61 H CYS 9 H CYS 9 -4.282 -5.846 -1.128 62 HA CYS 9 HA CYS 9 -4.988 -4.483 -3.633 63 1HB CYS 9 2HB CYS 9 -2.648 -3.558 -3.689 64 2HB CYS 9 1HB CYS 9 -3.694 -2.854 -2.461 65 H LYS 10 H LYS 10 -4.409 -5.531 -5.434 66 HA LYS 10 HA LYS 10 -3.117 -8.107 -5.180 67 1HB LYS 10 2HB LYS 10 -4.871 -6.806 -7.085 68 2HB LYS 10 1HB LYS 10 -3.511 -7.572 -7.895 69 1HG LYS 10 2HG LYS 10 -4.344 -9.480 -6.083 70 2HG LYS 10 1HG LYS 10 -5.847 -8.756 -6.658 71 1HD LYS 10 2HD LYS 10 -4.686 -9.028 -9.007 72 2HD LYS 10 1HD LYS 10 -3.767 -10.273 -8.160 73 1HE LYS 10 2HE LYS 10 -5.974 -11.232 -7.415 74 2HE LYS 10 1HE LYS 10 -6.751 -10.110 -8.535 75 1HZ LYS 10 1HZ LYS 10 -4.778 -12.209 -9.266 76 2HZ LYS 10 2HZ LYS 10 -5.499 -11.125 -10.345 77 3HZ LYS 10 3HZ LYS 10 -6.445 -12.275 -9.545 78 H THR 11 H THR 11 -2.260 -4.920 -5.916 79 HA THR 11 HA THR 11 0.484 -5.685 -6.379 80 HB THR 11 HB THR 11 0.481 -5.462 -8.600 81 HG1 THR 11 1HG THR 11 0.000 -3.269 -9.416 82 1HG2 THR 11 1HG2 THR 11 -2.330 -4.465 -8.315 83 2HG2 THR 11 2HG2 THR 11 -1.782 -6.040 -8.889 84 3HG2 THR 11 3HG2 THR 11 -1.510 -4.599 -9.871 85 H THR 12 H THR 12 1.698 -3.487 -6.964 86 HA THR 12 HA THR 12 1.353 -1.843 -4.656 87 HB THR 12 HB THR 12 3.137 -1.674 -7.076 88 HG1 THR 12 1HG THR 12 4.406 -2.756 -5.830 89 1HG2 THR 12 1HG2 THR 12 2.418 0.514 -5.455 90 2HG2 THR 12 2HG2 THR 12 3.677 0.422 -6.687 91 3HG2 THR 12 3HG2 THR 12 4.053 0.034 -5.008 92 H SER 13 H SER 13 0.449 -1.629 -8.016 93 HA SER 13 HA SER 13 -0.339 1.119 -7.855 94 1HB SER 13 2HB SER 13 0.533 0.013 -9.947 95 2HB SER 13 1HB SER 13 -1.003 -0.852 -10.041 96 HG SER 13 HG SER 13 -0.480 1.893 -10.349 97 H ASP 14 H ASP 14 -1.630 -1.452 -6.461 98 HA ASP 14 HA ASP 14 -4.415 -0.856 -7.140 99 1HB ASP 14 2HB ASP 14 -3.002 -3.180 -5.923 100 2HB ASP 14 1HB ASP 14 -4.670 -2.893 -5.433 101 H CYS 15 H CYS 15 -2.373 0.634 -5.284 102 HA CYS 15 HA CYS 15 -4.266 0.902 -3.050 103 1HB CYS 15 2HB CYS 15 -1.276 1.250 -2.838 104 2HB CYS 15 1HB CYS 15 -2.441 1.280 -1.518 105 H CYS 16 H CYS 16 -3.999 2.942 -1.852 106 HA CYS 16 HA CYS 16 -4.582 5.116 -3.413 107 1HB CYS 16 2HB CYS 16 -3.540 5.125 -0.594 108 2HB CYS 16 1HB CYS 16 -4.449 6.419 -1.372 109 H LYS 17 H LYS 17 -2.872 7.030 -1.917 110 HA LYS 17 HA LYS 17 -0.852 7.193 -3.992 111 1HB LYS 17 2HB LYS 17 -2.329 9.071 -2.371 112 2HB LYS 17 1HB LYS 17 -0.608 9.417 -2.311 113 1HG LYS 17 2HG LYS 17 -2.071 9.012 -4.899 114 2HG LYS 17 1HG LYS 17 -1.955 10.584 -4.108 115 1HD LYS 17 2HD LYS 17 0.611 9.995 -4.055 116 2HD LYS 17 1HD LYS 17 0.169 8.941 -5.400 117 1HE LYS 17 2HE LYS 17 -0.314 10.684 -6.785 118 2HE LYS 17 1HE LYS 17 -0.839 11.729 -5.466 119 1HZ LYS 17 1HZ LYS 17 1.443 12.104 -4.858 120 2HZ LYS 17 2HZ LYS 17 1.244 12.468 -6.499 121 3HZ LYS 17 3HZ LYS 17 1.987 11.021 -6.038 122 H HIS 18 H HIS 18 -0.728 8.034 -0.561 123 HA HIS 18 HA HIS 18 2.032 7.758 -0.402 124 1HB HIS 18 2HB HIS 18 -0.002 7.737 1.815 125 2HB HIS 18 1HB HIS 18 1.726 7.996 2.027 126 HD1 HIS 18 1HD HIS 18 -1.362 9.661 0.686 127 HD2 HIS 18 2HD HIS 18 2.622 10.560 1.448 128 HE1 HIS 18 1HE HIS 18 -1.176 12.156 0.426 129 HE2 HIS 18 2HE HIS 18 1.260 12.668 0.818 130 H LEU 19 H LEU 19 -0.273 5.354 -0.539 131 HA LEU 19 HA LEU 19 1.241 3.492 1.115 132 1HB LEU 19 2HB LEU 19 -1.430 3.368 -0.237 133 2HB LEU 19 1HB LEU 19 -0.652 1.909 0.344 134 HG LEU 19 HG LEU 19 -0.685 3.977 2.374 135 1HD1 LEU 19 1HD1 LEU 19 -2.709 4.746 1.403 136 2HD1 LEU 19 2HD1 LEU 19 -3.134 3.767 2.809 137 3HD1 LEU 19 3HD1 LEU 19 -3.300 3.097 1.185 138 1HD2 LEU 19 1HD2 LEU 19 -2.121 1.379 2.571 139 2HD2 LEU 19 2HD2 LEU 19 -1.136 2.220 3.769 140 3HD2 LEU 19 3HD2 LEU 19 -0.363 1.375 2.430 141 H GLY 20 H GLY 20 1.748 1.367 0.359 142 1HA GLY 20 2HA GLY 20 2.109 1.016 -2.516 143 2HA GLY 20 1HA GLY 20 3.563 1.035 -1.525 144 H CYS 21 H CYS 21 1.520 -1.002 -2.999 145 HA CYS 21 HA CYS 21 0.997 -2.912 -0.981 146 1HB CYS 21 2HB CYS 21 -0.147 -2.602 -3.282 147 2HB CYS 21 1HB CYS 21 1.163 -3.605 -3.894 148 H LYS 22 H LYS 22 1.932 -4.975 -0.674 149 HA LYS 22 HA LYS 22 4.557 -5.431 -1.876 150 1HB LYS 22 2HB LYS 22 5.328 -6.094 0.519 151 2HB LYS 22 1HB LYS 22 5.339 -4.400 0.045 152 1HG LYS 22 2HG LYS 22 2.806 -4.798 1.097 153 2HG LYS 22 1HG LYS 22 3.876 -5.720 2.155 154 1HD LYS 22 2HD LYS 22 4.506 -2.895 1.353 155 2HD LYS 22 1HD LYS 22 3.458 -3.256 2.727 156 1HE LYS 22 2HE LYS 22 6.295 -4.218 2.368 157 2HE LYS 22 1HE LYS 22 5.781 -2.904 3.425 158 1HZ LYS 22 1HZ LYS 22 5.790 -4.593 4.913 159 2HZ LYS 22 2HZ LYS 22 5.476 -5.788 3.759 160 3HZ LYS 22 3HZ LYS 22 4.217 -4.815 4.331 161 H PHE 23 H PHE 23 4.756 -7.472 -2.508 162 HA PHE 23 HA PHE 23 2.749 -9.386 -2.058 163 1HB PHE 23 2HB PHE 23 5.120 -9.149 -3.664 164 2HB PHE 23 1HB PHE 23 5.057 -10.743 -2.920 165 HD1 PHE 23 1HD PHE 23 3.087 -12.203 -3.315 166 HD2 PHE 23 2HD PHE 23 3.670 -8.556 -5.429 167 HE1 PHE 23 1HE PHE 23 1.473 -12.939 -5.021 168 HE2 PHE 23 2HE PHE 23 2.057 -9.284 -7.138 169 HZ PHE 23 HZ PHE 23 0.956 -11.478 -6.935 170 H ARG 24 H ARG 24 2.612 -9.540 0.233 171 HA ARG 24 HA ARG 24 3.834 -11.753 1.360 172 1HB ARG 24 2HB ARG 24 5.798 -10.008 1.241 173 2HB ARG 24 1HB ARG 24 5.024 -9.337 2.670 174 1HG ARG 24 2HG ARG 24 5.369 -12.224 2.816 175 2HG ARG 24 1HG ARG 24 6.891 -11.347 2.639 176 1HD ARG 24 2HD ARG 24 6.701 -10.339 4.666 177 2HD ARG 24 1HD ARG 24 4.941 -10.270 4.586 178 HE ARG 24 HE ARG 24 4.830 -12.373 5.548 179 1HH1 ARG 24 1HH1 ARG 24 8.129 -11.544 4.800 180 2HH1 ARG 24 2HH1 ARG 24 8.803 -12.842 5.727 181 1HH2 ARG 24 1HH2 ARG 24 5.708 -14.088 6.776 182 2HH2 ARG 24 2HH2 ARG 24 7.427 -14.289 6.849 183 H ASP 25 H ASP 25 2.616 -8.511 2.064 184 HA ASP 25 HA ASP 25 1.257 -9.513 4.450 185 1HB ASP 25 2HB ASP 25 1.740 -6.744 3.358 186 2HB ASP 25 1HB ASP 25 0.610 -7.041 4.676 187 H LYS 26 H LYS 26 0.644 -8.372 1.216 188 HA LYS 26 HA LYS 26 -1.191 -8.855 -0.100 189 1HB LYS 26 2HB LYS 26 -1.779 -10.466 1.939 190 2HB LYS 26 1HB LYS 26 -3.024 -9.253 2.207 191 1HG LYS 26 2HG LYS 26 -4.197 -9.852 0.377 192 2HG LYS 26 1HG LYS 26 -2.750 -10.231 -0.560 193 1HD LYS 26 2HD LYS 26 -2.548 -12.362 0.415 194 2HD LYS 26 1HD LYS 26 -3.666 -11.960 1.721 195 1HE LYS 26 2HE LYS 26 -5.531 -12.002 0.258 196 2HE LYS 26 1HE LYS 26 -4.497 -12.035 -1.170 197 1HZ LYS 26 1HZ LYS 26 -5.517 -14.207 -0.566 198 2HZ LYS 26 2HZ LYS 26 -4.580 -14.214 0.841 199 3HZ LYS 26 3HZ LYS 26 -3.829 -14.243 -0.674 200 H TYR 27 H TYR 27 -1.290 -6.798 2.705 201 HA TYR 27 HA TYR 27 -3.387 -5.157 1.489 202 1HB TYR 27 2HB TYR 27 -3.331 -3.891 3.635 203 2HB TYR 27 1HB TYR 27 -3.728 -5.587 3.829 204 HD1 TYR 27 1HD TYR 27 -2.578 -6.864 5.395 205 HD2 TYR 27 2HD TYR 27 -0.839 -3.243 3.993 206 HE1 TYR 27 1HE TYR 27 -0.776 -7.096 7.052 207 HE2 TYR 27 2HE TYR 27 0.970 -3.465 5.643 208 HH TYR 27 HH TYR 27 1.992 -5.792 6.954 209 H CYS 28 H CYS 28 -2.816 -2.680 2.342 210 HA CYS 28 HA CYS 28 -0.400 -2.032 0.801 211 1HB CYS 28 2HB CYS 28 -2.696 -0.199 1.504 212 2HB CYS 28 1HB CYS 28 -1.399 0.118 0.355 213 H ALA 29 H ALA 29 1.205 -0.765 1.624 214 HA ALA 29 HA ALA 29 0.856 0.340 4.319 215 1HB ALA 29 1HB ALA 29 2.434 -1.958 3.692 216 2HB ALA 29 2HB ALA 29 2.169 -1.184 5.253 217 3HB ALA 29 3HB ALA 29 3.491 -0.646 4.216 218 H TRP 30 H TRP 30 2.020 2.188 4.732 219 HA TRP 30 HA TRP 30 2.549 3.994 2.813 220 1HB TRP 30 2HB TRP 30 4.169 3.652 5.344 221 2HB TRP 30 1HB TRP 30 4.121 5.111 4.361 222 HD1 TRP 30 HD TRP 30 2.987 4.363 7.499 223 HE1 TRP 30 1HE TRP 30 0.687 5.352 8.091 224 HE3 TRP 30 3HE TRP 30 1.279 5.334 2.778 225 HZ2 TRP 30 2HZ TRP 30 -1.554 6.400 6.739 226 HZ3 TRP 30 3HZ TRP 30 -0.958 6.325 2.518 227 HH2 TRP 30 HH TRP 30 -2.342 6.847 4.455 228 H ASP 31 H ASP 31 4.306 4.708 1.609 229 HA ASP 31 HA ASP 31 6.870 3.652 1.592 230 1HB ASP 31 2HB ASP 31 4.957 1.873 0.436 231 2HB ASP 31 1HB ASP 31 6.004 2.475 -0.843 232 H PHE 32 H PHE 32 7.070 5.931 1.285 233 HA PHE 32 HA PHE 32 7.740 6.725 -1.269 234 1HB PHE 32 2HB PHE 32 5.105 6.577 -1.364 235 2HB PHE 32 1HB PHE 32 5.200 8.146 -0.577 236 HD1 PHE 32 1HD PHE 32 6.475 9.991 -1.713 237 HD2 PHE 32 2HD PHE 32 5.447 6.355 -3.671 238 HE1 PHE 32 1HE PHE 32 6.822 11.074 -3.894 239 HE2 PHE 32 2HE PHE 32 5.794 7.431 -5.858 240 HZ PHE 32 HZ PHE 32 6.483 9.793 -5.971 241 H THR 33 H THR 33 9.465 7.672 -0.222 242 HA THR 33 HA THR 33 8.822 9.995 1.466 243 HB THR 33 HB THR 33 11.065 9.663 2.509 244 HG1 THR 33 1HG THR 33 12.287 8.006 1.966 245 1HG2 THR 33 1HG2 THR 33 8.774 7.909 2.846 246 2HG2 THR 33 2HG2 THR 33 9.771 8.723 4.051 247 3HG2 THR 33 3HG2 THR 33 10.292 7.181 3.369 248 H PHE 34 H PHE 34 12.093 9.521 0.574 249 HA PHE 34 HA PHE 34 13.516 10.644 -0.800 250 1HB PHE 34 2HB PHE 34 10.962 10.773 -2.354 251 2HB PHE 34 1HB PHE 34 12.329 11.748 -2.879 252 HD1 PHE 34 1HD PHE 34 10.803 8.543 -2.961 253 HD2 PHE 34 2HD PHE 34 14.549 10.537 -3.273 254 HE1 PHE 34 1HE PHE 34 11.743 6.587 -4.122 255 HE2 PHE 34 2HE PHE 34 15.496 8.586 -4.433 256 HZ PHE 34 HZ PHE 34 14.094 6.607 -4.859 257 H SER 35 H SER 35 14.399 12.430 0.004 258 HA SER 35 HA SER 35 12.819 14.900 0.018 259 1HB SER 35 2HB SER 35 14.626 14.259 2.337 260 2HB SER 35 1HB SER 35 13.328 15.449 2.242 261 HG SER 35 HG SER 35 11.838 13.739 2.222 Start of MODEL 15 1 HA GLU 1 HA GLU 1 -10.668 2.226 -5.250 2 1HB GLU 1 2HB GLU 1 -10.005 -0.725 -5.109 3 2HB GLU 1 1HB GLU 1 -11.013 0.149 -3.963 4 1HG GLU 1 2HG GLU 1 -11.604 -0.276 -6.883 5 2HG GLU 1 1HG GLU 1 -12.363 -1.115 -5.530 6 1HT GLU 1 1HT GLU 1 -8.929 2.132 -6.970 7 2HT GLU 1 2HT GLU 1 -10.413 1.370 -7.371 8 3HT GLU 1 3HT GLU 1 -9.057 0.424 -6.917 9 H CYS 2 H CYS 2 -8.602 3.503 -5.094 10 HA CYS 2 HA CYS 2 -6.186 2.808 -4.154 11 1HB CYS 2 2HB CYS 2 -6.016 5.028 -3.934 12 2HB CYS 2 1HB CYS 2 -7.739 5.160 -4.170 13 H ARG 3 H ARG 3 -5.966 1.074 -2.979 14 HA ARG 3 HA ARG 3 -7.415 0.627 -0.569 15 1HB ARG 3 2HB ARG 3 -5.358 -0.810 -2.146 16 2HB ARG 3 1HB ARG 3 -5.387 -1.158 -0.424 17 1HG ARG 3 2HG ARG 3 -7.151 -2.066 -2.529 18 2HG ARG 3 1HG ARG 3 -6.942 -2.683 -0.892 19 1HD ARG 3 2HD ARG 3 -8.471 -1.011 -0.031 20 2HD ARG 3 1HD ARG 3 -8.613 -0.283 -1.630 21 HE ARG 3 HE ARG 3 -9.369 -3.061 -1.538 22 1HH1 ARG 3 1HH1 ARG 3 -10.442 0.223 -1.118 23 2HH1 ARG 3 2HH1 ARG 3 -12.101 -0.137 -1.459 24 1HH2 ARG 3 1HH2 ARG 3 -11.551 -3.549 -1.994 25 2HH2 ARG 3 2HH2 ARG 3 -12.730 -2.283 -1.961 26 H TYR 4 H TYR 4 -7.113 2.205 0.773 27 HA TYR 4 HA TYR 4 -4.716 3.492 1.401 28 1HB TYR 4 2HB TYR 4 -7.420 3.485 2.353 29 2HB TYR 4 1HB TYR 4 -6.334 3.425 3.738 30 HD1 TYR 4 1HD TYR 4 -7.966 5.545 1.463 31 HD2 TYR 4 2HD TYR 4 -4.332 5.143 3.640 32 HE1 TYR 4 1HE TYR 4 -7.576 7.965 1.248 33 HE2 TYR 4 2HE TYR 4 -3.932 7.561 3.431 34 HH TYR 4 HH TYR 4 -5.116 9.594 3.019 35 H LEU 5 H LEU 5 -4.535 3.266 4.208 36 HA LEU 5 HA LEU 5 -2.688 1.208 4.523 37 1HB LEU 5 2HB LEU 5 -3.765 3.264 6.128 38 2HB LEU 5 1HB LEU 5 -3.945 1.777 7.040 39 HG LEU 5 HG LEU 5 -1.382 1.508 6.257 40 1HD1 LEU 5 1HD1 LEU 5 -0.236 3.465 6.002 41 2HD1 LEU 5 2HD1 LEU 5 -1.429 4.409 6.894 42 3HD1 LEU 5 3HD1 LEU 5 -1.762 3.909 5.236 43 1HD2 LEU 5 1HD2 LEU 5 -2.737 1.905 8.611 44 2HD2 LEU 5 2HD2 LEU 5 -1.585 3.240 8.592 45 3HD2 LEU 5 3HD2 LEU 5 -1.011 1.578 8.457 46 H PHE 6 H PHE 6 -2.867 -0.914 4.762 47 HA PHE 6 HA PHE 6 -3.693 -2.982 5.237 48 1HB PHE 6 2HB PHE 6 -4.740 -1.359 7.251 49 2HB PHE 6 1HB PHE 6 -6.126 -2.253 6.638 50 HD1 PHE 6 1HD PHE 6 -6.591 -4.279 7.603 51 HD2 PHE 6 2HD PHE 6 -2.576 -2.869 7.610 52 HE1 PHE 6 1HE PHE 6 -5.908 -6.243 8.918 53 HE2 PHE 6 2HE PHE 6 -1.885 -4.830 8.926 54 HZ PHE 6 HZ PHE 6 -3.552 -6.520 9.581 55 H GLY 7 H GLY 7 -4.495 -1.528 2.865 56 1HA GLY 7 2HA GLY 7 -7.246 -2.472 2.447 57 2HA GLY 7 1HA GLY 7 -6.391 -1.329 1.425 58 H GLY 8 H GLY 8 -7.640 -4.295 1.381 59 1HA GLY 8 2HA GLY 8 -5.727 -6.071 0.480 60 2HA GLY 8 1HA GLY 8 -7.396 -6.062 -0.070 61 H CYS 9 H CYS 9 -4.199 -5.713 -0.995 62 HA CYS 9 HA CYS 9 -5.023 -4.489 -3.546 63 1HB CYS 9 2HB CYS 9 -2.687 -3.596 -3.707 64 2HB CYS 9 1HB CYS 9 -3.643 -2.891 -2.407 65 H LYS 10 H LYS 10 -4.357 -5.438 -5.407 66 HA LYS 10 HA LYS 10 -3.186 -8.088 -5.170 67 1HB LYS 10 2HB LYS 10 -5.206 -7.195 -6.719 68 2HB LYS 10 1HB LYS 10 -3.863 -6.989 -7.837 69 1HG LYS 10 2HG LYS 10 -3.728 -9.566 -6.569 70 2HG LYS 10 1HG LYS 10 -5.305 -9.318 -7.320 71 1HD LYS 10 2HD LYS 10 -3.644 -8.367 -9.249 72 2HD LYS 10 1HD LYS 10 -2.656 -9.651 -8.547 73 1HE LYS 10 2HE LYS 10 -5.117 -10.837 -8.752 74 2HE LYS 10 1HE LYS 10 -5.073 -9.812 -10.184 75 1HZ LYS 10 1HZ LYS 10 -2.911 -11.709 -9.453 76 2HZ LYS 10 2HZ LYS 10 -3.079 -10.858 -10.905 77 3HZ LYS 10 3HZ LYS 10 -4.173 -12.088 -10.515 78 H THR 11 H THR 11 -2.380 -4.912 -6.089 79 HA THR 11 HA THR 11 0.381 -5.681 -6.544 80 HB THR 11 HB THR 11 0.300 -5.463 -8.764 81 HG1 THR 11 1HG THR 11 -0.138 -3.233 -9.537 82 1HG2 THR 11 1HG2 THR 11 -1.594 -5.154 -10.015 83 2HG2 THR 11 2HG2 THR 11 -2.268 -3.973 -8.891 84 3HG2 THR 11 3HG2 THR 11 -2.277 -5.687 -8.477 85 H THR 12 H THR 12 1.605 -3.515 -7.094 86 HA THR 12 HA THR 12 1.303 -1.891 -4.778 87 HB THR 12 HB THR 12 3.032 -1.674 -7.232 88 HG1 THR 12 1HG THR 12 4.634 -2.212 -5.782 89 1HG2 THR 12 1HG2 THR 12 3.455 0.449 -6.837 90 2HG2 THR 12 2HG2 THR 12 4.051 0.002 -5.237 91 3HG2 THR 12 3HG2 THR 12 2.358 0.449 -5.456 92 H SER 13 H SER 13 0.318 -1.588 -8.119 93 HA SER 13 HA SER 13 -0.465 1.151 -7.872 94 1HB SER 13 2HB SER 13 0.252 -0.200 -10.014 95 2HB SER 13 1HB SER 13 -1.465 -0.596 -10.080 96 HG SER 13 HG SER 13 -0.980 2.056 -9.624 97 H ASP 14 H ASP 14 -1.701 -1.445 -6.471 98 HA ASP 14 HA ASP 14 -4.511 -0.884 -7.027 99 1HB ASP 14 2HB ASP 14 -3.078 -3.098 -5.574 100 2HB ASP 14 1HB ASP 14 -4.819 -2.878 -5.423 101 H CYS 15 H CYS 15 -2.321 0.547 -5.174 102 HA CYS 15 HA CYS 15 -4.206 0.928 -2.942 103 1HB CYS 15 2HB CYS 15 -1.215 1.289 -2.759 104 2HB CYS 15 1HB CYS 15 -2.372 1.252 -1.431 105 H CYS 16 H CYS 16 -3.830 2.986 -1.775 106 HA CYS 16 HA CYS 16 -4.393 5.136 -3.420 107 1HB CYS 16 2HB CYS 16 -3.381 5.252 -0.597 108 2HB CYS 16 1HB CYS 16 -4.351 6.468 -1.429 109 H LYS 17 H LYS 17 -2.693 7.053 -1.939 110 HA LYS 17 HA LYS 17 -0.598 7.117 -3.949 111 1HB LYS 17 2HB LYS 17 -1.312 9.206 -1.888 112 2HB LYS 17 1HB LYS 17 -0.258 9.423 -3.278 113 1HG LYS 17 2HG LYS 17 -2.195 8.956 -4.754 114 2HG LYS 17 1HG LYS 17 -3.222 8.906 -3.319 115 1HD LYS 17 2HD LYS 17 -3.179 11.151 -3.050 116 2HD LYS 17 1HD LYS 17 -1.505 11.289 -3.591 117 1HE LYS 17 2HE LYS 17 -2.809 10.503 -5.872 118 2HE LYS 17 1HE LYS 17 -3.995 11.553 -5.097 119 1HZ LYS 17 1HZ LYS 17 -2.463 12.726 -6.615 120 2HZ LYS 17 2HZ LYS 17 -1.172 12.317 -5.603 121 3HZ LYS 17 3HZ LYS 17 -2.408 13.319 -5.032 122 H HIS 18 H HIS 18 -0.576 8.048 -0.537 123 HA HIS 18 HA HIS 18 2.164 7.722 -0.258 124 1HB HIS 18 2HB HIS 18 -0.054 7.892 1.746 125 2HB HIS 18 1HB HIS 18 1.633 7.763 2.235 126 HD1 HIS 18 1HD HIS 18 0.925 9.796 -0.775 127 HD2 HIS 18 2HD HIS 18 1.419 10.395 3.306 128 HE1 HIS 18 1HE HIS 18 1.244 12.276 -0.494 129 HE2 HIS 18 2HE HIS 18 1.625 12.604 1.975 130 H LEU 19 H LEU 19 -0.167 5.358 -0.509 131 HA LEU 19 HA LEU 19 1.308 3.458 1.155 132 1HB LEU 19 2HB LEU 19 -1.385 3.366 -0.171 133 2HB LEU 19 1HB LEU 19 -0.628 1.918 0.464 134 HG LEU 19 HG LEU 19 -0.516 3.921 2.475 135 1HD1 LEU 19 1HD1 LEU 19 -3.240 3.704 2.574 136 2HD1 LEU 19 2HD1 LEU 19 -2.934 3.999 0.861 137 3HD1 LEU 19 3HD1 LEU 19 -2.337 5.133 2.074 138 1HD2 LEU 19 1HD2 LEU 19 -2.412 1.637 2.568 139 2HD2 LEU 19 2HD2 LEU 19 -1.316 2.245 3.807 140 3HD2 LEU 19 3HD2 LEU 19 -0.685 1.304 2.456 141 H GLY 20 H GLY 20 1.587 1.252 0.325 142 1HA GLY 20 2HA GLY 20 1.911 0.938 -2.541 143 2HA GLY 20 1HA GLY 20 3.404 0.933 -1.610 144 H CYS 21 H CYS 21 1.511 -1.125 -3.093 145 HA CYS 21 HA CYS 21 0.830 -3.004 -1.101 146 1HB CYS 21 2HB CYS 21 -0.032 -2.761 -3.538 147 2HB CYS 21 1HB CYS 21 1.325 -3.807 -3.943 148 H LYS 22 H LYS 22 2.073 -4.342 -0.003 149 HA LYS 22 HA LYS 22 4.851 -4.697 -0.800 150 1HB LYS 22 2HB LYS 22 3.655 -5.856 1.688 151 2HB LYS 22 1HB LYS 22 5.297 -5.295 1.405 152 1HG LYS 22 2HG LYS 22 4.482 -2.978 1.367 153 2HG LYS 22 1HG LYS 22 2.850 -3.563 1.698 154 1HD LYS 22 2HD LYS 22 3.585 -3.002 3.814 155 2HD LYS 22 1HD LYS 22 3.974 -4.721 3.744 156 1HE LYS 22 2HE LYS 22 6.077 -2.933 2.743 157 2HE LYS 22 1HE LYS 22 5.718 -2.762 4.461 158 1HZ LYS 22 1HZ LYS 22 7.388 -4.391 4.281 159 2HZ LYS 22 2HZ LYS 22 6.598 -5.199 3.025 160 3HZ LYS 22 3HZ LYS 22 5.960 -5.246 4.591 161 H PHE 23 H PHE 23 5.432 -7.088 0.395 162 HA PHE 23 HA PHE 23 5.054 -8.954 -1.590 163 1HB PHE 23 2HB PHE 23 5.913 -10.595 -0.033 164 2HB PHE 23 1HB PHE 23 6.768 -9.075 0.199 165 HD1 PHE 23 1HD PHE 23 6.013 -7.566 2.105 166 HD2 PHE 23 2HD PHE 23 4.853 -11.646 1.754 167 HE1 PHE 23 1HE PHE 23 5.449 -7.607 4.500 168 HE2 PHE 23 2HE PHE 23 4.285 -11.693 4.148 169 HZ PHE 23 HZ PHE 23 4.581 -9.673 5.523 170 H ARG 24 H ARG 24 4.238 -11.295 -0.325 171 HA ARG 24 HA ARG 24 1.653 -11.613 -1.026 172 1HB ARG 24 2HB ARG 24 3.399 -13.308 -0.076 173 2HB ARG 24 1HB ARG 24 2.593 -12.998 1.456 174 1HG ARG 24 2HG ARG 24 0.671 -14.046 0.822 175 2HG ARG 24 1HG ARG 24 0.905 -13.683 -0.888 176 1HD ARG 24 2HD ARG 24 2.977 -15.412 0.213 177 2HD ARG 24 1HD ARG 24 1.362 -16.109 0.331 178 HE ARG 24 HE ARG 24 1.970 -15.030 -2.262 179 1HH1 ARG 24 1HH1 ARG 24 2.213 -17.811 -0.189 180 2HH1 ARG 24 2HH1 ARG 24 2.350 -18.938 -1.498 181 1HH2 ARG 24 1HH2 ARG 24 2.149 -16.505 -3.998 182 2HH2 ARG 24 2HH2 ARG 24 2.316 -18.195 -3.663 183 H ASP 25 H ASP 25 2.755 -9.940 1.806 184 HA ASP 25 HA ASP 25 1.005 -9.988 3.744 185 1HB ASP 25 2HB ASP 25 1.327 -7.723 4.176 186 2HB ASP 25 1HB ASP 25 2.710 -8.122 3.162 187 H LYS 26 H LYS 26 0.158 -8.614 0.588 188 HA LYS 26 HA LYS 26 -1.881 -8.723 -0.480 189 1HB LYS 26 2HB LYS 26 -2.412 -10.578 1.213 190 2HB LYS 26 1HB LYS 26 -3.230 -9.327 2.139 191 1HG LYS 26 2HG LYS 26 -4.903 -10.375 0.877 192 2HG LYS 26 1HG LYS 26 -4.578 -8.855 0.045 193 1HD LYS 26 2HD LYS 26 -3.382 -9.927 -1.672 194 2HD LYS 26 1HD LYS 26 -3.220 -11.417 -0.740 195 1HE LYS 26 2HE LYS 26 -5.991 -10.785 -1.040 196 2HE LYS 26 1HE LYS 26 -5.213 -10.744 -2.621 197 1HZ LYS 26 1HZ LYS 26 -4.206 -12.988 -1.469 198 2HZ LYS 26 2HZ LYS 26 -5.466 -12.941 -2.596 199 3HZ LYS 26 3HZ LYS 26 -5.814 -12.987 -0.941 200 H TYR 27 H TYR 27 -1.171 -6.839 2.300 201 HA TYR 27 HA TYR 27 -3.353 -4.987 1.633 202 1HB TYR 27 2HB TYR 27 -2.898 -3.936 3.833 203 2HB TYR 27 1HB TYR 27 -3.381 -5.619 3.950 204 HD1 TYR 27 1HD TYR 27 -2.097 -7.095 5.214 205 HD2 TYR 27 2HD TYR 27 -0.347 -3.457 3.872 206 HE1 TYR 27 1HE TYR 27 -0.093 -7.570 6.557 207 HE2 TYR 27 2HE TYR 27 1.663 -3.924 5.211 208 HH TYR 27 HH TYR 27 2.635 -6.580 6.203 209 H CYS 28 H CYS 28 -2.518 -2.650 2.562 210 HA CYS 28 HA CYS 28 -0.139 -2.022 0.935 211 1HB CYS 28 2HB CYS 28 -2.447 -0.157 1.504 212 2HB CYS 28 1HB CYS 28 -1.142 0.078 0.343 213 H ALA 29 H ALA 29 1.268 -0.394 1.689 214 HA ALA 29 HA ALA 29 0.836 0.601 4.405 215 1HB ALA 29 1HB ALA 29 2.084 -1.199 5.073 216 2HB ALA 29 2HB ALA 29 3.360 -0.020 4.776 217 3HB ALA 29 3HB ALA 29 3.005 -1.257 3.571 218 H TRP 30 H TRP 30 1.922 2.513 4.882 219 HA TRP 30 HA TRP 30 2.242 4.421 3.023 220 1HB TRP 30 2HB TRP 30 3.947 4.044 5.490 221 2HB TRP 30 1HB TRP 30 3.904 5.527 4.543 222 HD1 TRP 30 HD TRP 30 2.795 4.705 7.678 223 HE1 TRP 30 1HE TRP 30 0.518 5.711 8.321 224 HE3 TRP 30 3HE TRP 30 1.050 5.832 3.002 225 HZ2 TRP 30 2HZ TRP 30 -1.722 6.829 7.022 226 HZ3 TRP 30 3HZ TRP 30 -1.173 6.863 2.795 227 HH2 TRP 30 HH TRP 30 -2.528 7.353 4.763 228 H ASP 31 H ASP 31 3.975 5.371 1.887 229 HA ASP 31 HA ASP 31 6.099 5.468 0.932 230 1HB ASP 31 2HB ASP 31 6.878 3.799 2.687 231 2HB ASP 31 1HB ASP 31 6.461 2.539 1.531 232 H PHE 32 H PHE 32 5.254 5.830 -1.033 233 HA PHE 32 HA PHE 32 3.849 3.981 -2.596 234 1HB PHE 32 2HB PHE 32 3.495 6.197 -3.210 235 2HB PHE 32 1HB PHE 32 5.210 6.591 -3.146 236 HD1 PHE 32 1HD PHE 32 6.546 6.486 -5.068 237 HD2 PHE 32 2HD PHE 32 2.646 4.785 -5.102 238 HE1 PHE 32 1HE PHE 32 6.703 6.184 -7.506 239 HE2 PHE 32 2HE PHE 32 2.796 4.479 -7.537 240 HZ PHE 32 HZ PHE 32 4.827 5.179 -8.743 241 H THR 33 H THR 33 4.657 2.123 -3.325 242 HA THR 33 HA THR 33 6.064 0.575 -4.223 243 HB THR 33 HB THR 33 6.995 1.135 -6.257 244 HG1 THR 33 1HG THR 33 8.331 2.746 -6.521 245 1HG2 THR 33 1HG2 THR 33 4.861 1.879 -6.678 246 2HG2 THR 33 2HG2 THR 33 5.839 3.277 -7.126 247 3HG2 THR 33 3HG2 THR 33 5.003 3.246 -5.573 248 H PHE 34 H PHE 34 8.780 0.918 -5.096 249 HA PHE 34 HA PHE 34 10.072 1.192 -2.467 250 1HB PHE 34 2HB PHE 34 10.109 -1.054 -3.706 251 2HB PHE 34 1HB PHE 34 11.226 -0.282 -4.828 252 HD1 PHE 34 1HD PHE 34 10.985 0.118 -1.149 253 HD2 PHE 34 2HD PHE 34 13.250 -1.362 -4.433 254 HE1 PHE 34 1HE PHE 34 12.854 -0.381 0.371 255 HE2 PHE 34 2HE PHE 34 15.123 -1.867 -2.918 256 HZ PHE 34 HZ PHE 34 14.925 -1.375 -0.513 257 H SER 35 H SER 35 10.044 2.322 -5.735 258 HA SER 35 HA SER 35 11.119 4.036 -6.773 259 1HB SER 35 2HB SER 35 12.237 4.777 -4.063 260 2HB SER 35 1HB SER 35 12.015 5.832 -5.460 261 HG SER 35 HG SER 35 9.675 5.124 -5.165 Start of MODEL 16 1 HA GLU 1 HA GLU 1 -10.362 2.202 -5.826 2 1HB GLU 1 2HB GLU 1 -12.041 3.818 -6.440 3 2HB GLU 1 1HB GLU 1 -11.776 4.731 -4.961 4 1HG GLU 1 2HG GLU 1 -10.764 5.851 -6.852 5 2HG GLU 1 1HG GLU 1 -9.528 5.309 -5.719 6 1HT GLU 1 1HT GLU 1 -12.388 1.711 -4.936 7 2HT GLU 1 2HT GLU 1 -12.284 2.941 -3.745 8 3HT GLU 1 3HT GLU 1 -11.303 1.538 -3.622 9 H CYS 2 H CYS 2 -8.257 2.314 -5.394 10 HA CYS 2 HA CYS 2 -6.282 2.676 -4.325 11 1HB CYS 2 2HB CYS 2 -5.890 4.867 -4.081 12 2HB CYS 2 1HB CYS 2 -7.577 5.134 -4.436 13 H ARG 3 H ARG 3 -6.050 1.028 -3.076 14 HA ARG 3 HA ARG 3 -7.505 0.657 -0.662 15 1HB ARG 3 2HB ARG 3 -5.363 -0.790 -2.132 16 2HB ARG 3 1HB ARG 3 -5.535 -1.130 -0.418 17 1HG ARG 3 2HG ARG 3 -7.159 -1.997 -2.660 18 2HG ARG 3 1HG ARG 3 -7.024 -2.666 -1.036 19 1HD ARG 3 2HD ARG 3 -8.610 -1.047 -0.191 20 2HD ARG 3 1HD ARG 3 -8.665 -0.237 -1.757 21 HE ARG 3 HE ARG 3 -10.003 -2.698 -1.021 22 1HH1 ARG 3 1HH1 ARG 3 -8.940 -0.625 -3.615 23 2HH1 ARG 3 2HH1 ARG 3 -10.053 -1.286 -4.767 24 1HH2 ARG 3 1HH2 ARG 3 -11.470 -3.569 -2.534 25 2HH2 ARG 3 2HH2 ARG 3 -11.488 -2.957 -4.154 26 H TYR 4 H TYR 4 -7.225 2.176 0.749 27 HA TYR 4 HA TYR 4 -4.857 3.537 1.351 28 1HB TYR 4 2HB TYR 4 -7.393 3.875 2.121 29 2HB TYR 4 1HB TYR 4 -6.819 3.011 3.543 30 HD1 TYR 4 1HD TYR 4 -6.345 4.421 5.297 31 HD2 TYR 4 2HD TYR 4 -5.433 5.706 1.346 32 HE1 TYR 4 1HE TYR 4 -5.423 6.516 6.198 33 HE2 TYR 4 2HE TYR 4 -4.508 7.804 2.234 34 HH TYR 4 HH TYR 4 -4.133 9.032 4.043 35 H LEU 5 H LEU 5 -4.644 3.195 4.171 36 HA LEU 5 HA LEU 5 -2.778 1.064 4.292 37 1HB LEU 5 2HB LEU 5 -3.124 3.271 5.759 38 2HB LEU 5 1HB LEU 5 -3.938 2.125 6.807 39 HG LEU 5 HG LEU 5 -1.466 0.954 6.067 40 1HD1 LEU 5 1HD1 LEU 5 -0.979 3.642 7.295 41 2HD1 LEU 5 2HD1 LEU 5 -0.950 3.422 5.545 42 3HD1 LEU 5 3HD1 LEU 5 0.175 2.523 6.565 43 1HD2 LEU 5 1HD2 LEU 5 -2.626 2.100 8.589 44 2HD2 LEU 5 2HD2 LEU 5 -1.031 1.347 8.551 45 3HD2 LEU 5 3HD2 LEU 5 -2.462 0.408 8.119 46 H PHE 6 H PHE 6 -2.964 -1.002 4.867 47 HA PHE 6 HA PHE 6 -3.841 -2.950 5.683 48 1HB PHE 6 2HB PHE 6 -5.246 -0.946 7.189 49 2HB PHE 6 1HB PHE 6 -6.352 -2.247 6.769 50 HD1 PHE 6 1HD PHE 6 -2.959 -1.679 8.190 51 HD2 PHE 6 2HD PHE 6 -6.432 -4.137 8.084 52 HE1 PHE 6 1HE PHE 6 -2.045 -3.043 10.024 53 HE2 PHE 6 2HE PHE 6 -5.525 -5.504 9.918 54 HZ PHE 6 HZ PHE 6 -3.329 -4.957 10.891 55 H GLY 7 H GLY 7 -4.915 -1.176 3.252 56 1HA GLY 7 2HA GLY 7 -7.421 -2.486 2.678 57 2HA GLY 7 1HA GLY 7 -6.550 -1.386 1.619 58 H GLY 8 H GLY 8 -7.845 -4.046 1.143 59 1HA GLY 8 2HA GLY 8 -5.745 -5.926 0.652 60 2HA GLY 8 1HA GLY 8 -7.397 -6.038 0.067 61 H CYS 9 H CYS 9 -4.211 -5.606 -0.822 62 HA CYS 9 HA CYS 9 -5.029 -4.562 -3.453 63 1HB CYS 9 2HB CYS 9 -2.810 -3.495 -3.635 64 2HB CYS 9 1HB CYS 9 -3.747 -2.852 -2.291 65 H LYS 10 H LYS 10 -4.160 -5.512 -5.250 66 HA LYS 10 HA LYS 10 -2.782 -8.063 -4.817 67 1HB LYS 10 2HB LYS 10 -4.059 -6.997 -7.340 68 2HB LYS 10 1HB LYS 10 -3.461 -8.631 -7.080 69 1HG LYS 10 2HG LYS 10 -5.516 -7.669 -5.189 70 2HG LYS 10 1HG LYS 10 -6.037 -7.956 -6.851 71 1HD LYS 10 2HD LYS 10 -4.987 -10.224 -6.693 72 2HD LYS 10 1HD LYS 10 -4.724 -9.915 -4.975 73 1HE LYS 10 2HE LYS 10 -6.750 -11.211 -5.294 74 2HE LYS 10 1HE LYS 10 -7.140 -9.606 -4.674 75 1HZ LYS 10 1HZ LYS 10 -7.191 -10.158 -7.573 76 2HZ LYS 10 2HZ LYS 10 -7.988 -8.940 -6.710 77 3HZ LYS 10 3HZ LYS 10 -8.521 -10.540 -6.599 78 H THR 11 H THR 11 -2.395 -4.911 -6.017 79 HA THR 11 HA THR 11 0.365 -5.493 -6.788 80 HB THR 11 HB THR 11 -0.564 -3.529 -8.587 81 HG1 THR 11 1HG THR 11 -2.145 -5.806 -8.958 82 1HG2 THR 11 1HG2 THR 11 1.127 -5.480 -8.833 83 2HG2 THR 11 2HG2 THR 11 0.241 -4.883 -10.236 84 3HG2 THR 11 3HG2 THR 11 -0.280 -6.362 -9.427 85 H THR 12 H THR 12 1.644 -3.468 -7.035 86 HA THR 12 HA THR 12 1.264 -1.815 -4.781 87 HB THR 12 HB THR 12 3.105 -1.674 -7.153 88 HG1 THR 12 1HG THR 12 4.623 -2.222 -5.641 89 1HG2 THR 12 1HG2 THR 12 2.508 0.451 -5.233 90 2HG2 THR 12 2HG2 THR 12 3.265 0.527 -6.824 91 3HG2 THR 12 3HG2 THR 12 4.218 0.061 -5.416 92 H SER 13 H SER 13 0.413 -1.558 -8.142 93 HA SER 13 HA SER 13 -0.355 1.197 -7.971 94 1HB SER 13 2HB SER 13 0.360 -0.419 -10.054 95 2HB SER 13 1HB SER 13 -1.393 -0.363 -10.237 96 HG SER 13 HG SER 13 0.494 1.634 -10.559 97 H ASP 14 H ASP 14 -1.668 -1.303 -6.532 98 HA ASP 14 HA ASP 14 -4.448 -0.767 -7.270 99 1HB ASP 14 2HB ASP 14 -3.166 -2.951 -5.627 100 2HB ASP 14 1HB ASP 14 -4.910 -2.763 -5.794 101 H CYS 15 H CYS 15 -2.230 0.398 -5.113 102 HA CYS 15 HA CYS 15 -4.277 0.889 -3.051 103 1HB CYS 15 2HB CYS 15 -1.282 1.200 -2.738 104 2HB CYS 15 1HB CYS 15 -2.493 1.259 -1.461 105 H CYS 16 H CYS 16 -3.764 2.965 -1.811 106 HA CYS 16 HA CYS 16 -4.305 5.114 -3.503 107 1HB CYS 16 2HB CYS 16 -3.412 5.219 -0.638 108 2HB CYS 16 1HB CYS 16 -4.317 6.455 -1.512 109 H LYS 17 H LYS 17 -2.653 7.023 -1.976 110 HA LYS 17 HA LYS 17 -0.492 7.071 -3.913 111 1HB LYS 17 2HB LYS 17 -1.383 9.142 -1.902 112 2HB LYS 17 1HB LYS 17 -0.151 9.385 -3.134 113 1HG LYS 17 2HG LYS 17 -1.927 8.843 -4.843 114 2HG LYS 17 1HG LYS 17 -3.097 8.946 -3.527 115 1HD LYS 17 2HD LYS 17 -1.376 11.107 -4.694 116 2HD LYS 17 1HD LYS 17 -3.127 11.079 -4.474 117 1HE LYS 17 2HE LYS 17 -2.675 12.364 -2.684 118 2HE LYS 17 1HE LYS 17 -2.300 10.822 -1.914 119 1HZ LYS 17 1HZ LYS 17 -0.184 12.237 -3.379 120 2HZ LYS 17 2HZ LYS 17 -0.061 11.194 -2.052 121 3HZ LYS 17 3HZ LYS 17 -0.611 12.777 -1.833 122 H HIS 18 H HIS 18 -0.581 8.021 -0.507 123 HA HIS 18 HA HIS 18 2.140 7.712 -0.110 124 1HB HIS 18 2HB HIS 18 -0.166 7.772 1.813 125 2HB HIS 18 1HB HIS 18 1.510 7.694 2.355 126 HD1 HIS 18 1HD HIS 18 3.039 9.753 1.242 127 HD2 HIS 18 2HD HIS 18 -1.064 10.307 1.596 128 HE1 HIS 18 1HE HIS 18 2.685 12.241 1.120 129 HE2 HIS 18 2HE HIS 18 0.189 12.551 1.295 130 H LEU 19 H LEU 19 -0.172 5.339 -0.494 131 HA LEU 19 HA LEU 19 1.252 3.389 1.145 132 1HB LEU 19 2HB LEU 19 -1.403 3.355 -0.258 133 2HB LEU 19 1HB LEU 19 -0.704 1.914 0.461 134 HG LEU 19 HG LEU 19 -0.647 4.057 2.358 135 1HD1 LEU 19 1HD1 LEU 19 -3.338 3.784 2.468 136 2HD1 LEU 19 2HD1 LEU 19 -3.067 3.868 0.728 137 3HD1 LEU 19 3HD1 LEU 19 -2.495 5.167 1.774 138 1HD2 LEU 19 1HD2 LEU 19 -0.567 1.585 2.737 139 2HD2 LEU 19 2HD2 LEU 19 -2.297 1.547 2.383 140 3HD2 LEU 19 3HD2 LEU 19 -1.696 2.469 3.763 141 H GLY 20 H GLY 20 1.565 1.216 0.287 142 1HA GLY 20 2HA GLY 20 1.860 0.924 -2.581 143 2HA GLY 20 1HA GLY 20 3.368 0.948 -1.673 144 H CYS 21 H CYS 21 1.514 -1.130 -3.146 145 HA CYS 21 HA CYS 21 0.976 -3.087 -1.159 146 1HB CYS 21 2HB CYS 21 -0.023 -2.739 -3.592 147 2HB CYS 21 1HB CYS 21 1.264 -3.858 -4.027 148 H LYS 22 H LYS 22 2.405 -4.403 -0.200 149 HA LYS 22 HA LYS 22 5.019 -4.773 -1.501 150 1HB LYS 22 2HB LYS 22 4.732 -5.591 1.304 151 2HB LYS 22 1HB LYS 22 5.994 -4.645 0.527 152 1HG LYS 22 2HG LYS 22 3.857 -2.928 0.487 153 2HG LYS 22 1HG LYS 22 3.653 -3.776 2.021 154 1HD LYS 22 2HD LYS 22 6.201 -2.451 1.112 155 2HD LYS 22 1HD LYS 22 5.021 -1.716 2.198 156 1HE LYS 22 2HE LYS 22 6.804 -4.078 2.671 157 2HE LYS 22 1HE LYS 22 6.638 -2.608 3.631 158 1HZ LYS 22 1HZ LYS 22 5.508 -4.203 4.851 159 2HZ LYS 22 2HZ LYS 22 4.822 -4.929 3.487 160 3HZ LYS 22 3HZ LYS 22 4.260 -3.423 4.016 161 H PHE 23 H PHE 23 6.129 -6.825 -1.156 162 HA PHE 23 HA PHE 23 4.489 -9.030 -1.840 163 1HB PHE 23 2HB PHE 23 6.451 -9.622 -2.757 164 2HB PHE 23 1HB PHE 23 7.303 -8.396 -1.829 165 HD1 PHE 23 1HD PHE 23 8.482 -8.958 0.184 166 HD2 PHE 23 2HD PHE 23 6.289 -11.916 -1.950 167 HE1 PHE 23 1HE PHE 23 9.604 -10.721 1.482 168 HE2 PHE 23 2HE PHE 23 7.407 -13.685 -0.655 169 HZ PHE 23 HZ PHE 23 9.067 -13.087 1.062 170 H ARG 24 H ARG 24 4.020 -10.888 -0.608 171 HA ARG 24 HA ARG 24 3.438 -12.026 1.278 172 1HB ARG 24 2HB ARG 24 6.116 -11.537 1.530 173 2HB ARG 24 1HB ARG 24 5.492 -10.817 3.007 174 1HG ARG 24 2HG ARG 24 4.184 -13.192 2.995 175 2HG ARG 24 1HG ARG 24 5.710 -13.632 2.226 176 1HD ARG 24 2HD ARG 24 6.130 -11.919 4.518 177 2HD ARG 24 1HD ARG 24 5.224 -13.368 4.953 178 HE ARG 24 HE ARG 24 7.969 -13.245 4.435 179 1HH1 ARG 24 1HH1 ARG 24 5.198 -15.182 3.616 180 2HH1 ARG 24 2HH1 ARG 24 6.111 -16.635 3.397 181 1HH2 ARG 24 1HH2 ARG 24 9.187 -15.154 4.156 182 2HH2 ARG 24 2HH2 ARG 24 8.384 -16.620 3.706 183 H ASP 25 H ASP 25 2.811 -9.047 0.775 184 HA ASP 25 HA ASP 25 1.365 -8.651 3.271 185 1HB ASP 25 2HB ASP 25 3.253 -6.624 2.055 186 2HB ASP 25 1HB ASP 25 2.015 -6.206 3.236 187 H LYS 26 H LYS 26 -0.141 -9.482 1.569 188 HA LYS 26 HA LYS 26 -0.913 -8.266 -0.727 189 1HB LYS 26 2HB LYS 26 -2.820 -9.517 -0.627 190 2HB LYS 26 1HB LYS 26 -1.865 -10.334 0.602 191 1HG LYS 26 2HG LYS 26 -3.021 -9.032 2.336 192 2HG LYS 26 1HG LYS 26 -4.010 -8.275 1.085 193 1HD LYS 26 2HD LYS 26 -4.863 -10.482 0.436 194 2HD LYS 26 1HD LYS 26 -3.887 -11.227 1.704 195 1HE LYS 26 2HE LYS 26 -5.161 -9.513 3.237 196 2HE LYS 26 1HE LYS 26 -6.340 -9.549 1.927 197 1HZ LYS 26 1HZ LYS 26 -5.630 -11.621 3.843 198 2HZ LYS 26 2HZ LYS 26 -5.955 -12.142 2.266 199 3HZ LYS 26 3HZ LYS 26 -7.122 -11.274 3.128 200 H TYR 27 H TYR 27 -1.199 -6.875 2.417 201 HA TYR 27 HA TYR 27 -3.305 -5.054 1.642 202 1HB TYR 27 2HB TYR 27 -2.876 -3.994 3.862 203 2HB TYR 27 1HB TYR 27 -3.276 -5.699 3.951 204 HD1 TYR 27 1HD TYR 27 -0.706 -3.182 4.502 205 HD2 TYR 27 2HD TYR 27 -1.556 -7.351 4.565 206 HE1 TYR 27 1HE TYR 27 1.331 -3.570 5.823 207 HE2 TYR 27 2HE TYR 27 0.481 -7.750 5.886 208 HH TYR 27 HH TYR 27 1.995 -6.571 7.340 209 H CYS 28 H CYS 28 -2.605 -2.657 2.599 210 HA CYS 28 HA CYS 28 -0.323 -1.900 0.894 211 1HB CYS 28 2HB CYS 28 -2.674 -0.144 1.612 212 2HB CYS 28 1HB CYS 28 -1.416 0.186 0.425 213 H ALA 29 H ALA 29 1.298 -0.766 1.735 214 HA ALA 29 HA ALA 29 0.975 0.354 4.442 215 1HB ALA 29 1HB ALA 29 3.329 -0.306 4.889 216 2HB ALA 29 2HB ALA 29 3.330 -1.190 3.362 217 3HB ALA 29 3HB ALA 29 2.244 -1.679 4.664 218 H TRP 30 H TRP 30 2.073 2.279 4.865 219 HA TRP 30 HA TRP 30 2.246 4.192 2.961 220 1HB TRP 30 2HB TRP 30 4.037 3.933 5.382 221 2HB TRP 30 1HB TRP 30 3.817 5.408 4.447 222 HD1 TRP 30 HD TRP 30 2.805 4.280 7.597 223 HE1 TRP 30 1HE TRP 30 0.473 5.118 8.297 224 HE3 TRP 30 3HE TRP 30 1.040 5.690 3.010 225 HZ2 TRP 30 2HZ TRP 30 -1.812 6.226 7.065 226 HZ3 TRP 30 3HZ TRP 30 -1.229 6.629 2.857 227 HH2 TRP 30 HH TRP 30 -2.624 6.890 4.843 228 H ASP 31 H ASP 31 3.959 5.223 1.825 229 HA ASP 31 HA ASP 31 6.011 5.376 0.769 230 1HB ASP 31 2HB ASP 31 6.597 2.536 1.609 231 2HB ASP 31 1HB ASP 31 7.736 3.748 1.037 232 H PHE 32 H PHE 32 4.937 5.514 -1.171 233 HA PHE 32 HA PHE 32 3.778 3.376 -2.551 234 1HB PHE 32 2HB PHE 32 3.069 5.462 -3.294 235 2HB PHE 32 1HB PHE 32 4.705 6.114 -3.333 236 HD1 PHE 32 1HD PHE 32 5.164 6.801 -5.474 237 HD2 PHE 32 2HD PHE 32 3.193 3.077 -4.880 238 HE1 PHE 32 1HE PHE 32 5.281 6.358 -7.891 239 HE2 PHE 32 2HE PHE 32 3.310 2.625 -7.296 240 HZ PHE 32 HZ PHE 32 4.355 4.268 -8.805 241 H THR 33 H THR 33 4.743 1.654 -3.379 242 HA THR 33 HA THR 33 6.393 0.256 -4.123 243 HB THR 33 HB THR 33 5.701 1.434 -6.179 244 HG1 THR 33 1HG THR 33 7.116 0.062 -6.883 245 1HG2 THR 33 1HG2 THR 33 7.366 3.106 -7.108 246 2HG2 THR 33 2HG2 THR 33 7.910 3.317 -5.443 247 3HG2 THR 33 3HG2 THR 33 6.242 3.687 -5.880 248 H PHE 34 H PHE 34 8.910 1.054 -5.331 249 HA PHE 34 HA PHE 34 11.062 1.611 -4.801 250 1HB PHE 34 2HB PHE 34 9.736 3.596 -3.583 251 2HB PHE 34 1HB PHE 34 10.367 2.781 -2.155 252 HD1 PHE 34 1HD PHE 34 12.005 4.226 -1.367 253 HD2 PHE 34 2HD PHE 34 11.949 3.178 -5.491 254 HE1 PHE 34 1HE PHE 34 14.170 5.354 -1.679 255 HE2 PHE 34 2HE PHE 34 14.113 4.305 -5.810 256 HZ PHE 34 HZ PHE 34 15.225 5.394 -3.902 257 H SER 35 H SER 35 12.399 1.568 -2.368 258 HA SER 35 HA SER 35 12.144 -1.262 -1.686 259 1HB SER 35 2HB SER 35 14.377 -0.907 -0.582 260 2HB SER 35 1HB SER 35 14.367 -0.584 -2.316 261 HG SER 35 HG SER 35 15.215 1.023 -0.496 Start of MODEL 17 1 HA GLU 1 HA GLU 1 -10.306 2.250 -5.913 2 1HB GLU 1 2HB GLU 1 -11.528 5.005 -5.793 3 2HB GLU 1 1HB GLU 1 -10.044 4.680 -6.678 4 1HG GLU 1 2HG GLU 1 -12.328 2.910 -7.262 5 2HG GLU 1 1HG GLU 1 -12.478 4.590 -7.782 6 1HT GLU 1 1HT GLU 1 -11.871 1.716 -4.474 7 2HT GLU 1 2HT GLU 1 -12.690 3.040 -5.198 8 3HT GLU 1 3HT GLU 1 -11.866 3.249 -3.706 9 H CYS 2 H CYS 2 -8.214 2.373 -5.344 10 HA CYS 2 HA CYS 2 -6.308 2.873 -4.203 11 1HB CYS 2 2HB CYS 2 -6.006 5.082 -4.055 12 2HB CYS 2 1HB CYS 2 -7.712 5.315 -4.343 13 H ARG 3 H ARG 3 -6.087 1.281 -2.882 14 HA ARG 3 HA ARG 3 -7.706 0.973 -0.542 15 1HB ARG 3 2HB ARG 3 -5.878 -0.651 -2.099 16 2HB ARG 3 1HB ARG 3 -5.545 -0.796 -0.379 17 1HG ARG 3 2HG ARG 3 -7.375 -2.273 -1.750 18 2HG ARG 3 1HG ARG 3 -7.386 -2.018 -0.007 19 1HD ARG 3 2HD ARG 3 -9.097 -0.487 -0.104 20 2HD ARG 3 1HD ARG 3 -8.715 -0.005 -1.752 21 HE ARG 3 HE ARG 3 -9.817 -1.967 -2.547 22 1HH1 ARG 3 1HH1 ARG 3 -10.230 -1.435 0.892 23 2HH1 ARG 3 2HH1 ARG 3 -11.643 -2.425 0.990 24 1HH2 ARG 3 1HH2 ARG 3 -11.671 -3.264 -2.397 25 2HH2 ARG 3 2HH2 ARG 3 -12.459 -3.462 -0.869 26 H TYR 4 H TYR 4 -7.421 2.389 0.929 27 HA TYR 4 HA TYR 4 -4.984 3.669 1.560 28 1HB TYR 4 2HB TYR 4 -6.811 4.920 2.221 29 2HB TYR 4 1HB TYR 4 -7.720 3.513 2.761 30 HD1 TYR 4 1HD TYR 4 -7.346 2.577 4.998 31 HD2 TYR 4 2HD TYR 4 -5.327 6.092 3.706 32 HE1 TYR 4 1HE TYR 4 -6.749 3.084 7.330 33 HE2 TYR 4 2HE TYR 4 -4.723 6.608 6.033 34 HH TYR 4 HH TYR 4 -4.891 4.418 8.505 35 H LEU 5 H LEU 5 -4.214 3.553 4.022 36 HA LEU 5 HA LEU 5 -2.739 1.420 4.563 37 1HB LEU 5 2HB LEU 5 -3.641 3.569 6.055 38 2HB LEU 5 1HB LEU 5 -4.105 2.175 7.012 39 HG LEU 5 HG LEU 5 -1.341 3.019 6.181 40 1HD1 LEU 5 1HD1 LEU 5 -1.807 2.161 8.911 41 2HD1 LEU 5 2HD1 LEU 5 -2.853 3.502 8.441 42 3HD1 LEU 5 3HD1 LEU 5 -1.102 3.657 8.300 43 1HD2 LEU 5 1HD2 LEU 5 -2.328 0.343 6.444 44 2HD2 LEU 5 2HD2 LEU 5 -1.187 0.689 7.744 45 3HD2 LEU 5 3HD2 LEU 5 -0.698 0.900 6.062 46 H PHE 6 H PHE 6 -2.981 -0.694 4.773 47 HA PHE 6 HA PHE 6 -3.789 -2.722 5.422 48 1HB PHE 6 2HB PHE 6 -6.017 -1.192 6.775 49 2HB PHE 6 1HB PHE 6 -5.607 -2.885 7.030 50 HD1 PHE 6 1HD PHE 6 -4.934 0.512 7.970 51 HD2 PHE 6 2HD PHE 6 -3.385 -3.451 8.055 52 HE1 PHE 6 1HE PHE 6 -3.386 1.160 9.771 53 HE2 PHE 6 2HE PHE 6 -1.835 -2.812 9.857 54 HZ PHE 6 HZ PHE 6 -1.835 -0.504 10.717 55 H GLY 7 H GLY 7 -4.619 -1.301 2.948 56 1HA GLY 7 2HA GLY 7 -7.268 -2.498 2.506 57 2HA GLY 7 1HA GLY 7 -6.499 -1.301 1.473 58 H GLY 8 H GLY 8 -7.349 -4.488 1.654 59 1HA GLY 8 2HA GLY 8 -5.260 -6.005 0.736 60 2HA GLY 8 1HA GLY 8 -6.918 -6.228 0.193 61 H CYS 9 H CYS 9 -3.992 -6.074 -1.027 62 HA CYS 9 HA CYS 9 -4.931 -4.832 -3.505 63 1HB CYS 9 2HB CYS 9 -2.760 -3.625 -3.758 64 2HB CYS 9 1HB CYS 9 -3.772 -3.015 -2.453 65 H LYS 10 H LYS 10 -4.225 -5.789 -5.317 66 HA LYS 10 HA LYS 10 -2.624 -8.201 -5.031 67 1HB LYS 10 2HB LYS 10 -4.189 -7.042 -7.337 68 2HB LYS 10 1HB LYS 10 -3.201 -8.489 -7.480 69 1HG LYS 10 2HG LYS 10 -4.802 -8.977 -5.268 70 2HG LYS 10 1HG LYS 10 -5.872 -8.169 -6.418 71 1HD LYS 10 2HD LYS 10 -5.977 -10.542 -6.795 72 2HD LYS 10 1HD LYS 10 -5.139 -9.790 -8.153 73 1HE LYS 10 2HE LYS 10 -3.410 -10.651 -5.939 74 2HE LYS 10 1HE LYS 10 -4.233 -11.956 -6.790 75 1HZ LYS 10 1HZ LYS 10 -3.170 -10.101 -8.642 76 2HZ LYS 10 2HZ LYS 10 -2.829 -11.749 -8.472 77 3HZ LYS 10 3HZ LYS 10 -1.951 -10.610 -7.583 78 H THR 11 H THR 11 -2.294 -4.957 -5.926 79 HA THR 11 HA THR 11 0.464 -5.405 -6.736 80 HB THR 11 HB THR 11 -0.486 -3.473 -8.546 81 HG1 THR 11 1HG THR 11 -2.187 -4.431 -9.539 82 1HG2 THR 11 1HG2 THR 11 1.160 -5.612 -8.665 83 2HG2 THR 11 2HG2 THR 11 0.610 -4.677 -10.057 84 3HG2 THR 11 3HG2 THR 11 -0.215 -6.174 -9.617 85 H THR 12 H THR 12 1.674 -3.354 -6.920 86 HA THR 12 HA THR 12 1.186 -1.696 -4.691 87 HB THR 12 HB THR 12 3.087 -1.567 -7.009 88 HG1 THR 12 1HG THR 12 3.942 -2.817 -5.512 89 1HG2 THR 12 1HG2 THR 12 2.270 0.691 -5.420 90 2HG2 THR 12 2HG2 THR 12 3.355 0.618 -6.809 91 3HG2 THR 12 3HG2 THR 12 3.976 0.319 -5.186 92 H SER 13 H SER 13 0.380 -1.507 -8.065 93 HA SER 13 HA SER 13 -0.464 1.222 -7.974 94 1HB SER 13 2HB SER 13 -0.117 0.926 -10.174 95 2HB SER 13 1HB SER 13 -0.128 -0.828 -9.998 96 HG SER 13 HG SER 13 -2.333 0.904 -10.379 97 H ASP 14 H ASP 14 -1.715 -1.411 -6.561 98 HA ASP 14 HA ASP 14 -4.514 -0.816 -7.163 99 1HB ASP 14 2HB ASP 14 -3.153 -3.104 -5.748 100 2HB ASP 14 1HB ASP 14 -4.895 -2.872 -5.681 101 H CYS 15 H CYS 15 -2.511 0.737 -5.372 102 HA CYS 15 HA CYS 15 -4.357 0.962 -3.089 103 1HB CYS 15 2HB CYS 15 -1.358 1.285 -2.910 104 2HB CYS 15 1HB CYS 15 -2.507 1.285 -1.576 105 H CYS 16 H CYS 16 -3.866 3.023 -1.839 106 HA CYS 16 HA CYS 16 -4.423 5.216 -3.454 107 1HB CYS 16 2HB CYS 16 -3.460 5.219 -0.609 108 2HB CYS 16 1HB CYS 16 -4.329 6.520 -1.425 109 H LYS 17 H LYS 17 -2.644 7.024 -1.853 110 HA LYS 17 HA LYS 17 -0.579 7.130 -3.898 111 1HB LYS 17 2HB LYS 17 -2.087 9.060 -2.551 112 2HB LYS 17 1HB LYS 17 -0.448 9.259 -1.946 113 1HG LYS 17 2HG LYS 17 0.390 9.532 -4.196 114 2HG LYS 17 1HG LYS 17 -1.219 9.229 -4.856 115 1HD LYS 17 2HD LYS 17 -1.159 11.354 -2.851 116 2HD LYS 17 1HD LYS 17 -0.167 11.697 -4.270 117 1HE LYS 17 2HE LYS 17 -1.985 11.603 -5.716 118 2HE LYS 17 1HE LYS 17 -2.964 10.676 -4.582 119 1HZ LYS 17 1HZ LYS 17 -3.262 13.282 -4.982 120 2HZ LYS 17 2HZ LYS 17 -2.163 13.324 -3.697 121 3HZ LYS 17 3HZ LYS 17 -3.642 12.523 -3.518 122 H HIS 18 H HIS 18 -0.448 7.963 -0.474 123 HA HIS 18 HA HIS 18 2.277 7.500 -0.242 124 1HB HIS 18 2HB HIS 18 0.078 7.732 1.781 125 2HB HIS 18 1HB HIS 18 1.748 7.460 2.270 126 HD1 HIS 18 1HD HIS 18 3.450 9.362 1.072 127 HD2 HIS 18 2HD HIS 18 -0.531 10.360 1.722 128 HE1 HIS 18 1HE HIS 18 3.370 11.875 1.031 129 HE2 HIS 18 2HE HIS 18 0.939 12.453 1.340 130 H LEU 19 H LEU 19 -0.178 5.272 -0.507 131 HA LEU 19 HA LEU 19 1.146 3.248 1.109 132 1HB LEU 19 2HB LEU 19 -1.475 3.358 -0.343 133 2HB LEU 19 1HB LEU 19 -0.857 1.866 0.338 134 HG LEU 19 HG LEU 19 -0.732 3.924 2.323 135 1HD1 LEU 19 1HD1 LEU 19 -2.468 5.166 1.534 136 2HD1 LEU 19 2HD1 LEU 19 -3.360 3.957 2.455 137 3HD1 LEU 19 3HD1 LEU 19 -3.216 3.800 0.707 138 1HD2 LEU 19 1HD2 LEU 19 -2.760 1.860 2.632 139 2HD2 LEU 19 2HD2 LEU 19 -1.338 2.214 3.615 140 3HD2 LEU 19 3HD2 LEU 19 -1.183 1.226 2.162 141 H GLY 20 H GLY 20 2.016 1.385 0.387 142 1HA GLY 20 2HA GLY 20 2.185 0.962 -2.524 143 2HA GLY 20 1HA GLY 20 3.644 0.948 -1.541 144 H CYS 21 H CYS 21 1.649 -1.052 -3.065 145 HA CYS 21 HA CYS 21 1.025 -2.994 -1.115 146 1HB CYS 21 2HB CYS 21 0.086 -2.643 -3.540 147 2HB CYS 21 1HB CYS 21 1.394 -3.731 -3.995 148 H LYS 22 H LYS 22 2.215 -4.573 -0.240 149 HA LYS 22 HA LYS 22 4.842 -5.147 -1.443 150 1HB LYS 22 2HB LYS 22 4.343 -5.436 1.498 151 2HB LYS 22 1HB LYS 22 5.865 -5.207 0.649 152 1HG LYS 22 2HG LYS 22 5.418 -2.910 0.279 153 2HG LYS 22 1HG LYS 22 3.743 -3.086 0.809 154 1HD LYS 22 2HD LYS 22 4.573 -2.287 2.753 155 2HD LYS 22 1HD LYS 22 5.014 -3.977 3.003 156 1HE LYS 22 2HE LYS 22 7.146 -3.373 3.150 157 2HE LYS 22 1HE LYS 22 7.079 -2.809 1.481 158 1HZ LYS 22 1HZ LYS 22 7.677 -0.895 2.516 159 2HZ LYS 22 2HZ LYS 22 6.900 -1.282 3.967 160 3HZ LYS 22 3HZ LYS 22 5.997 -0.730 2.647 161 H PHE 23 H PHE 23 5.504 -7.261 -1.545 162 HA PHE 23 HA PHE 23 3.457 -9.238 -1.445 163 1HB PHE 23 2HB PHE 23 5.856 -8.911 -2.826 164 2HB PHE 23 1HB PHE 23 6.118 -10.313 -1.795 165 HD1 PHE 23 1HD PHE 23 3.694 -8.903 -4.238 166 HD2 PHE 23 2HD PHE 23 5.366 -12.392 -2.467 167 HE1 PHE 23 1HE PHE 23 2.456 -10.304 -5.838 168 HE2 PHE 23 2HE PHE 23 4.131 -13.799 -4.064 169 HZ PHE 23 HZ PHE 23 2.675 -12.756 -5.753 170 H ARG 24 H ARG 24 3.373 -8.609 1.031 171 HA ARG 24 HA ARG 24 4.622 -10.846 2.418 172 1HB ARG 24 2HB ARG 24 4.703 -8.361 3.991 173 2HB ARG 24 1HB ARG 24 5.874 -9.668 3.885 174 1HG ARG 24 2HG ARG 24 6.628 -8.759 1.712 175 2HG ARG 24 1HG ARG 24 5.524 -7.401 1.937 176 1HD ARG 24 2HD ARG 24 7.010 -6.354 3.213 177 2HD ARG 24 1HD ARG 24 7.106 -7.743 4.295 178 HE ARG 24 HE ARG 24 9.078 -8.340 3.299 179 1HH1 ARG 24 1HH1 ARG 24 7.439 -6.014 1.293 180 2HH1 ARG 24 2HH1 ARG 24 8.772 -5.819 0.204 181 1HH2 ARG 24 1HH2 ARG 24 10.843 -8.089 1.875 182 2HH2 ARG 24 2HH2 ARG 24 10.707 -7.000 0.534 183 H ASP 25 H ASP 25 2.942 -7.922 3.540 184 HA ASP 25 HA ASP 25 1.172 -9.454 5.182 185 1HB ASP 25 2HB ASP 25 1.289 -6.525 4.466 186 2HB ASP 25 1HB ASP 25 0.062 -7.199 5.532 187 H LYS 26 H LYS 26 1.050 -8.153 1.975 188 HA LYS 26 HA LYS 26 -0.387 -8.777 0.280 189 1HB LYS 26 2HB LYS 26 -2.377 -9.638 2.383 190 2HB LYS 26 1HB LYS 26 -2.413 -10.005 0.666 191 1HG LYS 26 2HG LYS 26 -0.526 -11.445 0.847 192 2HG LYS 26 1HG LYS 26 -0.230 -10.941 2.512 193 1HD LYS 26 2HD LYS 26 -1.305 -13.127 2.449 194 2HD LYS 26 1HD LYS 26 -2.372 -11.928 3.184 195 1HE LYS 26 2HE LYS 26 -3.632 -13.325 1.666 196 2HE LYS 26 1HE LYS 26 -3.540 -11.683 1.030 197 1HZ LYS 26 1HZ LYS 26 -2.391 -14.143 -0.008 198 2HZ LYS 26 2HZ LYS 26 -1.418 -12.766 -0.135 199 3HZ LYS 26 3HZ LYS 26 -2.958 -12.779 -0.835 200 H TYR 27 H TYR 27 -0.893 -6.634 2.823 201 HA TYR 27 HA TYR 27 -3.117 -5.311 1.434 202 1HB TYR 27 2HB TYR 27 -3.242 -3.886 3.520 203 2HB TYR 27 1HB TYR 27 -3.652 -5.575 3.734 204 HD1 TYR 27 1HD TYR 27 -3.080 -6.213 5.870 205 HD2 TYR 27 2HD TYR 27 -0.365 -3.774 3.681 206 HE1 TYR 27 1HE TYR 27 -1.467 -6.353 7.722 207 HE2 TYR 27 2HE TYR 27 1.255 -3.913 5.522 208 HH TYR 27 HH TYR 27 0.425 -5.294 8.601 209 H CYS 28 H CYS 28 -2.831 -2.738 2.155 210 HA CYS 28 HA CYS 28 -0.459 -1.951 0.635 211 1HB CYS 28 2HB CYS 28 -2.864 -0.292 1.414 212 2HB CYS 28 1HB CYS 28 -1.594 0.170 0.286 213 H ALA 29 H ALA 29 1.263 -1.192 1.669 214 HA ALA 29 HA ALA 29 0.860 0.061 4.309 215 1HB ALA 29 1HB ALA 29 2.613 -1.044 5.184 216 2HB ALA 29 2HB ALA 29 3.543 -0.969 3.686 217 3HB ALA 29 3HB ALA 29 2.286 -2.189 3.884 218 H TRP 30 H TRP 30 1.836 1.986 4.718 219 HA TRP 30 HA TRP 30 2.172 3.902 2.892 220 1HB TRP 30 2HB TRP 30 3.939 3.531 5.320 221 2HB TRP 30 1HB TRP 30 3.775 5.032 4.416 222 HD1 TRP 30 HD TRP 30 2.701 3.856 7.533 223 HE1 TRP 30 1HE TRP 30 0.401 4.765 8.243 224 HE3 TRP 30 3HE TRP 30 1.029 5.470 2.981 225 HZ2 TRP 30 2HZ TRP 30 -1.830 6.000 7.033 226 HZ3 TRP 30 3HZ TRP 30 -1.200 6.504 2.844 227 HH2 TRP 30 HH TRP 30 -2.598 6.760 4.828 228 H ASP 31 H ASP 31 3.964 4.891 1.807 229 HA ASP 31 HA ASP 31 5.604 3.030 0.443 230 1HB ASP 31 2HB ASP 31 5.297 6.014 0.345 231 2HB ASP 31 1HB ASP 31 6.595 5.217 -0.537 232 H PHE 32 H PHE 32 6.290 2.654 2.969 233 HA PHE 32 HA PHE 32 8.068 3.976 4.411 234 1HB PHE 32 2HB PHE 32 7.330 1.520 4.592 235 2HB PHE 32 1HB PHE 32 8.734 1.154 3.597 236 HD1 PHE 32 1HD PHE 32 10.952 1.274 4.486 237 HD2 PHE 32 2HD PHE 32 7.606 2.420 6.851 238 HE1 PHE 32 1HE PHE 32 12.373 1.263 6.495 239 HE2 PHE 32 2HE PHE 32 9.020 2.412 8.864 240 HZ PHE 32 HZ PHE 32 11.407 1.833 8.688 241 H THR 33 H THR 33 9.291 5.490 3.291 242 HA THR 33 HA THR 33 10.933 4.976 1.086 243 HB THR 33 HB THR 33 10.625 7.234 1.425 244 HG1 THR 33 1HG THR 33 12.633 8.106 2.136 245 1HG2 THR 33 1HG2 THR 33 9.634 7.375 3.535 246 2HG2 THR 33 2HG2 THR 33 11.101 8.346 3.654 247 3HG2 THR 33 3HG2 THR 33 11.060 6.724 4.344 248 H PHE 34 H PHE 34 13.457 5.550 1.411 249 HA PHE 34 HA PHE 34 15.485 4.675 1.960 250 1HB PHE 34 2HB PHE 34 14.463 5.651 4.251 251 2HB PHE 34 1HB PHE 34 14.625 3.959 4.710 252 HD1 PHE 34 1HD PHE 34 16.174 6.916 5.093 253 HD2 PHE 34 2HD PHE 34 17.031 3.021 3.607 254 HE1 PHE 34 1HE PHE 34 18.565 7.272 5.551 255 HE2 PHE 34 2HE PHE 34 19.423 3.370 4.063 256 HZ PHE 34 HZ PHE 34 20.193 5.498 5.036 257 H SER 35 H SER 35 15.631 2.835 0.761 258 HA SER 35 HA SER 35 14.591 0.355 1.957 259 1HB SER 35 2HB SER 35 14.519 -0.599 -0.234 260 2HB SER 35 1HB SER 35 13.801 1.007 -0.361 261 HG SER 35 HG SER 35 16.460 0.287 -1.049 Start of MODEL 18 1 HA GLU 1 HA GLU 1 -9.722 1.733 -6.243 2 1HB GLU 1 2HB GLU 1 -11.394 2.404 -4.803 3 2HB GLU 1 1HB GLU 1 -11.865 0.733 -5.081 4 1HG GLU 1 2HG GLU 1 -10.966 0.050 -2.985 5 2HG GLU 1 1HG GLU 1 -10.214 1.625 -2.732 6 1HT GLU 1 1HT GLU 1 -9.219 -0.363 -6.676 7 2HT GLU 1 2HT GLU 1 -10.716 -0.638 -5.882 8 3HT GLU 1 3HT GLU 1 -9.241 -0.842 -5.030 9 H CYS 2 H CYS 2 -8.718 3.386 -4.954 10 HA CYS 2 HA CYS 2 -6.213 2.835 -4.030 11 1HB CYS 2 2HB CYS 2 -6.181 5.068 -3.926 12 2HB CYS 2 1HB CYS 2 -7.916 5.100 -4.114 13 H ARG 3 H ARG 3 -5.976 1.129 -2.810 14 HA ARG 3 HA ARG 3 -7.438 0.714 -0.408 15 1HB ARG 3 2HB ARG 3 -5.283 -0.698 -1.894 16 2HB ARG 3 1HB ARG 3 -5.434 -1.038 -0.176 17 1HG ARG 3 2HG ARG 3 -7.173 -1.814 -2.416 18 2HG ARG 3 1HG ARG 3 -6.834 -2.645 -0.897 19 1HD ARG 3 2HD ARG 3 -8.275 -0.939 0.244 20 2HD ARG 3 1HD ARG 3 -8.728 -0.346 -1.353 21 HE ARG 3 HE ARG 3 -9.166 -3.178 -0.905 22 1HH1 ARG 3 1HH1 ARG 3 -10.498 0.037 -0.826 23 2HH1 ARG 3 2HH1 ARG 3 -12.143 -0.500 -0.912 24 1HH2 ARG 3 1HH2 ARG 3 -11.330 -3.900 -1.021 25 2HH2 ARG 3 2HH2 ARG 3 -12.616 -2.739 -1.023 26 H TYR 4 H TYR 4 -7.161 2.197 1.042 27 HA TYR 4 HA TYR 4 -4.690 3.471 1.622 28 1HB TYR 4 2HB TYR 4 -6.499 4.789 2.217 29 2HB TYR 4 1HB TYR 4 -7.440 3.427 2.810 30 HD1 TYR 4 1HD TYR 4 -4.795 5.845 3.643 31 HD2 TYR 4 2HD TYR 4 -7.288 2.720 5.100 32 HE1 TYR 4 1HE TYR 4 -4.194 6.449 5.949 33 HE2 TYR 4 2HE TYR 4 -6.692 3.315 7.411 34 HH TYR 4 HH TYR 4 -4.133 5.450 8.155 35 H LEU 5 H LEU 5 -3.937 3.376 4.093 36 HA LEU 5 HA LEU 5 -2.542 1.224 4.705 37 1HB LEU 5 2HB LEU 5 -3.881 3.229 6.339 38 2HB LEU 5 1HB LEU 5 -3.598 1.731 7.203 39 HG LEU 5 HG LEU 5 -1.376 3.079 5.703 40 1HD1 LEU 5 1HD1 LEU 5 -1.972 4.851 7.066 41 2HD1 LEU 5 2HD1 LEU 5 -0.804 3.984 8.062 42 3HD1 LEU 5 3HD1 LEU 5 -2.532 3.799 8.365 43 1HD2 LEU 5 1HD2 LEU 5 -0.623 1.844 8.147 44 2HD2 LEU 5 2HD2 LEU 5 -0.200 1.377 6.499 45 3HD2 LEU 5 3HD2 LEU 5 -1.653 0.722 7.256 46 H PHE 6 H PHE 6 -2.799 -0.875 4.984 47 HA PHE 6 HA PHE 6 -3.689 -2.900 5.489 48 1HB PHE 6 2HB PHE 6 -5.725 -1.221 6.957 49 2HB PHE 6 1HB PHE 6 -5.707 -2.981 6.989 50 HD1 PHE 6 1HD PHE 6 -3.194 -3.915 7.487 51 HD2 PHE 6 2HD PHE 6 -4.825 -0.210 8.800 52 HE1 PHE 6 1HE PHE 6 -1.586 -3.871 9.348 53 HE2 PHE 6 2HE PHE 6 -3.218 -0.160 10.665 54 HZ PHE 6 HZ PHE 6 -1.597 -1.992 10.940 55 H GLY 7 H GLY 7 -4.364 -1.489 3.033 56 1HA GLY 7 2HA GLY 7 -7.083 -2.487 2.505 57 2HA GLY 7 1HA GLY 7 -6.220 -1.318 1.518 58 H GLY 8 H GLY 8 -7.408 -4.279 1.365 59 1HA GLY 8 2HA GLY 8 -5.317 -5.942 0.508 60 2HA GLY 8 1HA GLY 8 -7.005 -6.121 0.057 61 H CYS 9 H CYS 9 -3.937 -5.567 -1.097 62 HA CYS 9 HA CYS 9 -5.006 -4.412 -3.593 63 1HB CYS 9 2HB CYS 9 -2.650 -3.541 -3.950 64 2HB CYS 9 1HB CYS 9 -3.573 -2.761 -2.670 65 H LYS 10 H LYS 10 -4.327 -5.270 -5.535 66 HA LYS 10 HA LYS 10 -3.327 -7.980 -5.414 67 1HB LYS 10 2HB LYS 10 -4.901 -6.420 -7.246 68 2HB LYS 10 1HB LYS 10 -3.547 -7.145 -8.105 69 1HG LYS 10 2HG LYS 10 -4.508 -9.143 -8.084 70 2HG LYS 10 1HG LYS 10 -4.801 -9.056 -6.347 71 1HD LYS 10 2HD LYS 10 -6.855 -9.283 -7.795 72 2HD LYS 10 1HD LYS 10 -6.866 -7.932 -6.660 73 1HE LYS 10 2HE LYS 10 -6.735 -6.369 -8.305 74 2HE LYS 10 1HE LYS 10 -5.786 -7.408 -9.366 75 1HZ LYS 10 1HZ LYS 10 -8.700 -7.659 -8.853 76 2HZ LYS 10 2HZ LYS 10 -7.792 -8.666 -9.863 77 3HZ LYS 10 3HZ LYS 10 -7.993 -7.032 -10.257 78 H THR 11 H THR 11 -2.197 -4.838 -6.084 79 HA THR 11 HA THR 11 0.525 -5.728 -6.242 80 HB THR 11 HB THR 11 0.777 -5.752 -8.456 81 HG1 THR 11 1HG THR 11 0.384 -3.645 -9.562 82 1HG2 THR 11 1HG2 THR 11 -1.912 -4.485 -8.868 83 2HG2 THR 11 2HG2 THR 11 -1.658 -6.217 -8.646 84 3HG2 THR 11 3HG2 THR 11 -0.960 -5.394 -10.041 85 H THR 12 H THR 12 1.884 -3.635 -6.937 86 HA THR 12 HA THR 12 1.498 -1.775 -4.854 87 HB THR 12 HB THR 12 3.198 -1.687 -7.339 88 HG1 THR 12 1HG THR 12 4.831 -1.848 -5.616 89 1HG2 THR 12 1HG2 THR 12 4.290 0.239 -6.566 90 2HG2 THR 12 2HG2 THR 12 3.423 0.208 -5.031 91 3HG2 THR 12 3HG2 THR 12 2.566 0.603 -6.520 92 H SER 13 H SER 13 0.525 -1.817 -8.202 93 HA SER 13 HA SER 13 -0.436 0.893 -8.129 94 1HB SER 13 2HB SER 13 -0.592 -1.240 -10.263 95 2HB SER 13 1HB SER 13 -1.203 0.403 -10.460 96 HG SER 13 HG SER 13 0.879 0.285 -11.289 97 H ASP 14 H ASP 14 -1.630 -0.734 -6.183 98 HA ASP 14 HA ASP 14 -4.410 -0.693 -7.112 99 1HB ASP 14 2HB ASP 14 -2.975 -2.944 -5.733 100 2HB ASP 14 1HB ASP 14 -4.716 -2.749 -5.556 101 H CYS 15 H CYS 15 -2.279 0.649 -5.107 102 HA CYS 15 HA CYS 15 -4.228 0.946 -2.914 103 1HB CYS 15 2HB CYS 15 -1.245 1.406 -2.707 104 2HB CYS 15 1HB CYS 15 -2.408 1.328 -1.389 105 H CYS 16 H CYS 16 -3.922 3.039 -1.723 106 HA CYS 16 HA CYS 16 -4.551 5.169 -3.360 107 1HB CYS 16 2HB CYS 16 -3.506 5.304 -0.550 108 2HB CYS 16 1HB CYS 16 -4.469 6.529 -1.376 109 H LYS 17 H LYS 17 -2.767 7.053 -1.799 110 HA LYS 17 HA LYS 17 -0.800 7.239 -3.927 111 1HB LYS 17 2HB LYS 17 -2.191 9.108 -2.221 112 2HB LYS 17 1HB LYS 17 -0.458 9.404 -2.186 113 1HG LYS 17 2HG LYS 17 -0.436 9.548 -4.628 114 2HG LYS 17 1HG LYS 17 -2.177 9.266 -4.655 115 1HD LYS 17 2HD LYS 17 -2.541 11.315 -3.383 116 2HD LYS 17 1HD LYS 17 -0.800 11.588 -3.305 117 1HE LYS 17 2HE LYS 17 -2.403 12.685 -5.166 118 2HE LYS 17 1HE LYS 17 -0.693 12.344 -5.427 119 1HZ LYS 17 1HZ LYS 17 -1.984 11.505 -7.254 120 2HZ LYS 17 2HZ LYS 17 -2.974 10.611 -6.213 121 3HZ LYS 17 3HZ LYS 17 -1.343 10.197 -6.391 122 H HIS 18 H HIS 18 -0.526 8.086 -0.525 123 HA HIS 18 HA HIS 18 2.213 7.634 -0.427 124 1HB HIS 18 2HB HIS 18 0.120 7.964 1.688 125 2HB HIS 18 1HB HIS 18 1.804 7.678 2.114 126 HD1 HIS 18 1HD HIS 18 3.273 9.491 0.210 127 HD2 HIS 18 2HD HIS 18 -0.237 10.613 2.128 128 HE1 HIS 18 1HE HIS 18 3.290 12.005 0.222 129 HE2 HIS 18 2HE HIS 18 1.209 12.659 1.483 130 H LEU 19 H LEU 19 -0.266 5.414 -0.477 131 HA LEU 19 HA LEU 19 1.162 3.430 1.111 132 1HB LEU 19 2HB LEU 19 -1.561 3.475 -0.155 133 2HB LEU 19 1HB LEU 19 -0.890 2.025 0.567 134 HG LEU 19 HG LEU 19 -0.600 4.113 2.452 135 1HD1 LEU 19 1HD1 LEU 19 -3.129 4.203 0.923 136 2HD1 LEU 19 2HD1 LEU 19 -2.252 5.491 1.749 137 3HD1 LEU 19 3HD1 LEU 19 -3.229 4.354 2.677 138 1HD2 LEU 19 1HD2 LEU 19 -2.639 1.912 2.507 139 2HD2 LEU 19 2HD2 LEU 19 -1.813 2.679 3.863 140 3HD2 LEU 19 3HD2 LEU 19 -0.918 1.626 2.767 141 H GLY 20 H GLY 20 2.099 1.654 0.382 142 1HA GLY 20 2HA GLY 20 2.063 1.144 -2.525 143 2HA GLY 20 1HA GLY 20 3.543 1.047 -1.576 144 H CYS 21 H CYS 21 1.720 -0.941 -3.133 145 HA CYS 21 HA CYS 21 0.737 -2.755 -1.216 146 1HB CYS 21 2HB CYS 21 0.221 -2.562 -3.750 147 2HB CYS 21 1HB CYS 21 1.606 -3.630 -3.946 148 H LYS 22 H LYS 22 1.669 -4.345 -0.093 149 HA LYS 22 HA LYS 22 4.502 -4.934 -0.646 150 1HB LYS 22 2HB LYS 22 3.609 -5.657 2.025 151 2HB LYS 22 1HB LYS 22 4.997 -4.703 1.529 152 1HG LYS 22 2HG LYS 22 2.328 -3.413 1.400 153 2HG LYS 22 1HG LYS 22 3.039 -3.697 2.988 154 1HD LYS 22 2HD LYS 22 4.499 -2.319 0.744 155 2HD LYS 22 1HD LYS 22 3.552 -1.458 1.960 156 1HE LYS 22 2HE LYS 22 5.050 -1.879 3.625 157 2HE LYS 22 1HE LYS 22 5.567 -3.410 2.921 158 1HZ LYS 22 1HZ LYS 22 7.208 -2.419 1.810 159 2HZ LYS 22 2HZ LYS 22 6.968 -1.099 2.839 160 3HZ LYS 22 3HZ LYS 22 6.239 -1.124 1.314 161 H PHE 23 H PHE 23 5.208 -7.085 -0.443 162 HA PHE 23 HA PHE 23 3.132 -9.030 -0.925 163 1HB PHE 23 2HB PHE 23 6.009 -8.815 -1.542 164 2HB PHE 23 1HB PHE 23 5.427 -10.441 -1.199 165 HD1 PHE 23 1HD PHE 23 3.347 -11.224 -2.506 166 HD2 PHE 23 2HD PHE 23 5.763 -7.914 -3.659 167 HE1 PHE 23 1HE PHE 23 2.484 -11.398 -4.804 168 HE2 PHE 23 2HE PHE 23 4.902 -8.082 -5.959 169 HZ PHE 23 HZ PHE 23 3.260 -9.825 -6.532 170 H ARG 24 H ARG 24 2.910 -8.326 1.620 171 HA ARG 24 HA ARG 24 4.189 -10.519 3.117 172 1HB ARG 24 2HB ARG 24 3.313 -7.833 4.195 173 2HB ARG 24 1HB ARG 24 4.068 -9.123 5.121 174 1HG ARG 24 2HG ARG 24 5.878 -8.758 3.123 175 2HG ARG 24 1HG ARG 24 5.263 -7.120 3.360 176 1HD ARG 24 2HD ARG 24 6.196 -8.869 5.624 177 2HD ARG 24 1HD ARG 24 7.269 -7.773 4.755 178 HE ARG 24 HE ARG 24 5.218 -6.174 5.509 179 1HH1 ARG 24 1HH1 ARG 24 7.296 -8.387 7.212 180 2HH1 ARG 24 2HH1 ARG 24 7.230 -7.508 8.703 181 1HH2 ARG 24 1HH2 ARG 24 5.125 -5.003 7.466 182 2HH2 ARG 24 2HH2 ARG 24 5.994 -5.583 8.847 183 H ASP 25 H ASP 25 1.406 -8.309 3.481 184 HA ASP 25 HA ASP 25 -0.208 -10.650 4.257 185 1HB ASP 25 2HB ASP 25 0.058 -9.072 6.097 186 2HB ASP 25 1HB ASP 25 -0.521 -7.756 5.081 187 H LYS 26 H LYS 26 0.327 -8.667 1.723 188 HA LYS 26 HA LYS 26 -0.819 -8.419 -0.243 189 1HB LYS 26 2HB LYS 26 -3.271 -9.578 1.063 190 2HB LYS 26 1HB LYS 26 -2.858 -9.547 -0.646 191 1HG LYS 26 2HG LYS 26 -1.174 -11.049 1.321 192 2HG LYS 26 1HG LYS 26 -2.637 -11.757 0.635 193 1HD LYS 26 2HD LYS 26 -1.576 -11.007 -1.637 194 2HD LYS 26 1HD LYS 26 -0.076 -11.011 -0.707 195 1HE LYS 26 2HE LYS 26 -0.369 -13.150 -1.792 196 2HE LYS 26 1HE LYS 26 -0.524 -13.342 -0.046 197 1HZ LYS 26 1HZ LYS 26 -2.814 -13.622 -0.206 198 2HZ LYS 26 2HZ LYS 26 -2.223 -14.501 -1.524 199 3HZ LYS 26 3HZ LYS 26 -2.898 -12.968 -1.764 200 H TYR 27 H TYR 27 -1.053 -6.734 2.360 201 HA TYR 27 HA TYR 27 -3.399 -5.151 1.595 202 1HB TYR 27 2HB TYR 27 -3.074 -4.018 3.802 203 2HB TYR 27 1HB TYR 27 -3.426 -5.731 3.912 204 HD1 TYR 27 1HD TYR 27 -0.073 -5.170 2.847 205 HD2 TYR 27 2HD TYR 27 -2.558 -5.276 6.300 206 HE1 TYR 27 1HE TYR 27 1.913 -5.470 4.260 207 HE2 TYR 27 2HE TYR 27 -0.576 -5.581 7.722 208 HH TYR 27 HH TYR 27 2.597 -6.129 6.357 209 H CYS 28 H CYS 28 -2.778 -2.703 2.566 210 HA CYS 28 HA CYS 28 -0.501 -1.889 0.884 211 1HB CYS 28 2HB CYS 28 -3.021 -0.331 1.490 212 2HB CYS 28 1HB CYS 28 -1.684 0.223 0.487 213 H ALA 29 H ALA 29 1.119 -0.914 1.854 214 HA ALA 29 HA ALA 29 0.633 0.478 4.400 215 1HB ALA 29 1HB ALA 29 1.891 -1.924 4.304 216 2HB ALA 29 2HB ALA 29 2.186 -0.695 5.535 217 3HB ALA 29 3HB ALA 29 3.257 -0.821 4.139 218 H TRP 30 H TRP 30 1.905 2.313 4.763 219 HA TRP 30 HA TRP 30 2.493 4.002 2.766 220 1HB TRP 30 2HB TRP 30 4.171 3.689 5.265 221 2HB TRP 30 1HB TRP 30 4.143 5.111 4.227 222 HD1 TRP 30 HD TRP 30 3.050 4.459 7.426 223 HE1 TRP 30 1HE TRP 30 0.820 5.583 8.047 224 HE3 TRP 30 3HE TRP 30 1.329 5.471 2.728 225 HZ2 TRP 30 2HZ TRP 30 -1.380 6.746 6.714 226 HZ3 TRP 30 3HZ TRP 30 -0.850 6.589 2.485 227 HH2 TRP 30 HH TRP 30 -2.176 7.213 4.439 228 H ASP 31 H ASP 31 4.296 4.574 1.508 229 HA ASP 31 HA ASP 31 6.709 3.108 1.534 230 1HB ASP 31 2HB ASP 31 4.544 1.963 0.052 231 2HB ASP 31 1HB ASP 31 5.797 2.482 -1.072 232 H PHE 32 H PHE 32 7.604 5.152 1.503 233 HA PHE 32 HA PHE 32 8.346 6.191 -0.953 234 1HB PHE 32 2HB PHE 32 5.982 6.910 -1.102 235 2HB PHE 32 1HB PHE 32 6.193 7.846 0.374 236 HD1 PHE 32 1HD PHE 32 7.223 9.978 0.341 237 HD2 PHE 32 2HD PHE 32 7.192 7.561 -3.161 238 HE1 PHE 32 1HE PHE 32 7.989 11.902 -0.988 239 HE2 PHE 32 2HE PHE 32 7.959 9.479 -4.497 240 HZ PHE 32 HZ PHE 32 8.360 11.653 -3.410 241 H THR 33 H THR 33 10.188 5.864 0.535 242 HA THR 33 HA THR 33 11.944 6.764 1.671 243 HB THR 33 HB THR 33 12.283 9.057 1.650 244 HG1 THR 33 1HG THR 33 10.790 10.002 2.826 245 1HG2 THR 33 1HG2 THR 33 12.000 9.483 -0.499 246 2HG2 THR 33 2HG2 THR 33 10.253 9.604 -0.299 247 3HG2 THR 33 3HG2 THR 33 10.999 8.035 -0.603 248 H PHE 34 H PHE 34 12.558 7.567 3.817 249 HA PHE 34 HA PHE 34 10.758 8.234 5.834 250 1HB PHE 34 2HB PHE 34 10.738 6.038 7.087 251 2HB PHE 34 1HB PHE 34 9.736 6.090 5.641 252 HD1 PHE 34 1HD PHE 34 13.143 5.943 4.753 253 HD2 PHE 34 2HD PHE 34 9.902 3.537 6.103 254 HE1 PHE 34 1HE PHE 34 14.280 3.937 3.894 255 HE2 PHE 34 2HE PHE 34 11.033 1.526 5.247 256 HZ PHE 34 HZ PHE 34 13.224 1.724 4.142 257 H SER 35 H SER 35 13.242 9.118 5.168 258 HA SER 35 HA SER 35 15.186 9.772 6.161 259 1HB SER 35 2HB SER 35 14.504 8.067 8.550 260 2HB SER 35 1HB SER 35 15.465 9.545 8.497 261 HG SER 35 HG SER 35 12.737 9.215 8.644 Start of MODEL 19 1 HA GLU 1 HA GLU 1 -9.930 1.704 -6.532 2 1HB GLU 1 2HB GLU 1 -11.171 3.418 -5.568 3 2HB GLU 1 1HB GLU 1 -12.303 2.072 -5.533 4 1HG GLU 1 2HG GLU 1 -11.832 1.679 -3.202 5 2HG GLU 1 1HG GLU 1 -10.585 2.925 -3.213 6 1HT GLU 1 1HT GLU 1 -10.995 -0.119 -4.483 7 2HT GLU 1 2HT GLU 1 -10.021 -0.529 -5.835 8 3HT GLU 1 3HT GLU 1 -11.616 0.060 -6.070 9 H CYS 2 H CYS 2 -8.694 3.479 -5.351 10 HA CYS 2 HA CYS 2 -6.368 2.648 -4.307 11 1HB CYS 2 2HB CYS 2 -5.998 4.844 -4.153 12 2HB CYS 2 1HB CYS 2 -7.682 5.109 -4.528 13 H ARG 3 H ARG 3 -6.094 1.133 -2.933 14 HA ARG 3 HA ARG 3 -7.683 0.842 -0.572 15 1HB ARG 3 2HB ARG 3 -5.730 -0.744 -2.073 16 2HB ARG 3 1HB ARG 3 -5.559 -0.909 -0.333 17 1HG ARG 3 2HG ARG 3 -7.343 -2.257 -2.021 18 2HG ARG 3 1HG ARG 3 -7.269 -2.322 -0.264 19 1HD ARG 3 2HD ARG 3 -8.916 -0.662 -0.023 20 2HD ARG 3 1HD ARG 3 -8.767 -0.157 -1.705 21 HE ARG 3 HE ARG 3 -9.594 -2.843 -1.627 22 1HH1 ARG 3 1HH1 ARG 3 -10.781 0.349 -0.897 23 2HH1 ARG 3 2HH1 ARG 3 -12.437 -0.054 -1.209 24 1HH2 ARG 3 1HH2 ARG 3 -11.771 -3.384 -2.043 25 2HH2 ARG 3 2HH2 ARG 3 -12.999 -2.177 -1.861 26 H TYR 4 H TYR 4 -7.395 2.299 0.891 27 HA TYR 4 HA TYR 4 -5.033 3.700 1.441 28 1HB TYR 4 2HB TYR 4 -7.628 3.880 2.291 29 2HB TYR 4 1HB TYR 4 -6.827 3.291 3.743 30 HD1 TYR 4 1HD TYR 4 -5.770 4.799 5.163 31 HD2 TYR 4 2HD TYR 4 -6.548 5.948 1.141 32 HE1 TYR 4 1HE TYR 4 -5.004 7.080 5.673 33 HE2 TYR 4 2HE TYR 4 -5.786 8.231 1.639 34 HH TYR 4 HH TYR 4 -4.933 9.208 4.919 35 H LEU 5 H LEU 5 -4.839 3.422 4.268 36 HA LEU 5 HA LEU 5 -2.833 1.496 4.494 37 1HB LEU 5 2HB LEU 5 -3.963 3.483 6.133 38 2HB LEU 5 1HB LEU 5 -4.037 1.990 7.050 39 HG LEU 5 HG LEU 5 -1.589 3.346 5.940 40 1HD1 LEU 5 1HD1 LEU 5 -0.892 3.430 8.242 41 2HD1 LEU 5 2HD1 LEU 5 -2.313 2.516 8.745 42 3HD1 LEU 5 3HD1 LEU 5 -2.496 4.146 8.097 43 1HD2 LEU 5 1HD2 LEU 5 -2.047 0.516 6.627 44 2HD2 LEU 5 2HD2 LEU 5 -0.597 1.252 7.311 45 3HD2 LEU 5 3HD2 LEU 5 -0.845 1.249 5.565 46 H PHE 6 H PHE 6 -2.840 -0.619 4.771 47 HA PHE 6 HA PHE 6 -3.486 -2.734 5.283 48 1HB PHE 6 2HB PHE 6 -4.962 -1.090 7.169 49 2HB PHE 6 1HB PHE 6 -5.844 -2.556 6.750 50 HD1 PHE 6 1HD PHE 6 -4.024 -1.379 9.249 51 HD2 PHE 6 2HD PHE 6 -3.808 -4.553 6.423 52 HE1 PHE 6 1HE PHE 6 -2.614 -2.665 10.805 53 HE2 PHE 6 2HE PHE 6 -2.400 -5.845 7.973 54 HZ PHE 6 HZ PHE 6 -1.801 -4.900 10.167 55 H GLY 7 H GLY 7 -4.510 -1.270 2.949 56 1HA GLY 7 2HA GLY 7 -7.162 -2.447 2.566 57 2HA GLY 7 1HA GLY 7 -6.374 -1.298 1.496 58 H GLY 8 H GLY 8 -7.593 -4.153 1.284 59 1HA GLY 8 2HA GLY 8 -5.558 -5.929 0.526 60 2HA GLY 8 1HA GLY 8 -7.223 -6.003 -0.028 61 H CYS 9 H CYS 9 -4.095 -5.713 -1.037 62 HA CYS 9 HA CYS 9 -4.958 -4.466 -3.564 63 1HB CYS 9 2HB CYS 9 -2.632 -3.543 -3.766 64 2HB CYS 9 1HB CYS 9 -3.602 -2.833 -2.481 65 H LYS 10 H LYS 10 -4.339 -5.424 -5.422 66 HA LYS 10 HA LYS 10 -3.158 -8.061 -5.220 67 1HB LYS 10 2HB LYS 10 -3.784 -6.878 -7.872 68 2HB LYS 10 1HB LYS 10 -4.070 -8.507 -7.277 69 1HG LYS 10 2HG LYS 10 -5.706 -6.717 -5.793 70 2HG LYS 10 1HG LYS 10 -5.903 -6.368 -7.510 71 1HD LYS 10 2HD LYS 10 -6.315 -8.784 -7.900 72 2HD LYS 10 1HD LYS 10 -6.241 -9.041 -6.156 73 1HE LYS 10 2HE LYS 10 -8.474 -8.755 -6.292 74 2HE LYS 10 1HE LYS 10 -8.041 -7.047 -6.255 75 1HZ LYS 10 1HZ LYS 10 -9.430 -7.168 -8.065 76 2HZ LYS 10 2HZ LYS 10 -8.883 -8.696 -8.540 77 3HZ LYS 10 3HZ LYS 10 -7.919 -7.333 -8.807 78 H THR 11 H THR 11 -2.280 -4.883 -6.047 79 HA THR 11 HA THR 11 0.479 -5.662 -6.413 80 HB THR 11 HB THR 11 0.529 -5.477 -8.637 81 HG1 THR 11 1HG THR 11 1.038 -3.518 -9.092 82 1HG2 THR 11 1HG2 THR 11 -1.558 -4.392 -9.834 83 2HG2 THR 11 2HG2 THR 11 -2.323 -4.777 -8.292 84 3HG2 THR 11 3HG2 THR 11 -1.576 -6.055 -9.251 85 H THR 12 H THR 12 1.704 -3.470 -7.009 86 HA THR 12 HA THR 12 1.332 -1.793 -4.742 87 HB THR 12 HB THR 12 3.093 -1.616 -7.173 88 HG1 THR 12 1HG THR 12 3.960 -1.720 -4.514 89 1HG2 THR 12 1HG2 THR 12 4.208 0.272 -6.270 90 2HG2 THR 12 2HG2 THR 12 3.181 0.261 -4.834 91 3HG2 THR 12 3HG2 THR 12 2.496 0.668 -6.409 92 H SER 13 H SER 13 0.382 -1.615 -8.094 93 HA SER 13 HA SER 13 -0.467 1.116 -7.913 94 1HB SER 13 2HB SER 13 0.303 -0.440 -10.008 95 2HB SER 13 1HB SER 13 -1.451 -0.490 -10.176 96 HG SER 13 HG SER 13 -1.226 1.393 -11.067 97 H ASP 14 H ASP 14 -1.673 -1.425 -6.467 98 HA ASP 14 HA ASP 14 -4.480 -0.960 -7.169 99 1HB ASP 14 2HB ASP 14 -3.022 -3.179 -5.776 100 2HB ASP 14 1HB ASP 14 -4.750 -2.964 -5.507 101 H CYS 15 H CYS 15 -2.412 0.534 -5.264 102 HA CYS 15 HA CYS 15 -4.355 0.847 -3.070 103 1HB CYS 15 2HB CYS 15 -1.373 1.260 -2.837 104 2HB CYS 15 1HB CYS 15 -2.549 1.238 -1.526 105 H CYS 16 H CYS 16 -3.881 2.936 -1.843 106 HA CYS 16 HA CYS 16 -4.461 5.093 -3.521 107 1HB CYS 16 2HB CYS 16 -3.573 5.147 -0.650 108 2HB CYS 16 1HB CYS 16 -4.433 6.429 -1.506 109 H LYS 17 H LYS 17 -2.806 7.014 -2.004 110 HA LYS 17 HA LYS 17 -0.633 7.030 -3.929 111 1HB LYS 17 2HB LYS 17 -2.059 9.045 -2.330 112 2HB LYS 17 1HB LYS 17 -0.339 9.346 -2.540 113 1HG LYS 17 2HG LYS 17 -1.225 10.449 -4.344 114 2HG LYS 17 1HG LYS 17 -0.845 8.876 -5.051 115 1HD LYS 17 2HD LYS 17 -3.057 9.576 -5.746 116 2HD LYS 17 1HD LYS 17 -3.181 8.176 -4.678 117 1HE LYS 17 2HE LYS 17 -3.260 10.443 -3.020 118 2HE LYS 17 1HE LYS 17 -4.318 10.796 -4.385 119 1HZ LYS 17 1HZ LYS 17 -5.843 9.542 -3.412 120 2HZ LYS 17 2HZ LYS 17 -4.772 9.074 -2.190 121 3HZ LYS 17 3HZ LYS 17 -4.854 8.187 -3.628 122 H HIS 18 H HIS 18 -0.744 8.019 -0.531 123 HA HIS 18 HA HIS 18 1.969 7.745 -0.118 124 1HB HIS 18 2HB HIS 18 -0.319 7.708 1.834 125 2HB HIS 18 1HB HIS 18 1.368 7.731 2.336 126 HD1 HIS 18 1HD HIS 18 1.363 9.762 -0.533 127 HD2 HIS 18 2HD HIS 18 0.021 10.299 3.363 128 HE1 HIS 18 1HE HIS 18 1.204 12.251 -0.214 129 HE2 HIS 18 2HE HIS 18 0.320 12.550 2.127 130 H LEU 19 H LEU 19 -0.326 5.326 -0.460 131 HA LEU 19 HA LEU 19 1.159 3.399 1.148 132 1HB LEU 19 2HB LEU 19 -1.487 3.313 -0.257 133 2HB LEU 19 1HB LEU 19 -0.726 1.857 0.356 134 HG LEU 19 HG LEU 19 -0.728 3.836 2.414 135 1HD1 LEU 19 1HD1 LEU 19 -3.281 3.484 0.910 136 2HD1 LEU 19 2HD1 LEU 19 -2.573 4.950 1.588 137 3HD1 LEU 19 3HD1 LEU 19 -3.300 3.749 2.654 138 1HD2 LEU 19 1HD2 LEU 19 -0.871 1.151 2.205 139 2HD2 LEU 19 2HD2 LEU 19 -2.551 1.542 2.580 140 3HD2 LEU 19 3HD2 LEU 19 -1.259 2.055 3.669 141 H GLY 20 H GLY 20 1.750 1.357 0.348 142 1HA GLY 20 2HA GLY 20 2.062 1.052 -2.539 143 2HA GLY 20 1HA GLY 20 3.530 1.083 -1.568 144 H CYS 21 H CYS 21 1.520 -0.973 -3.053 145 HA CYS 21 HA CYS 21 0.967 -2.913 -1.098 146 1HB CYS 21 2HB CYS 21 0.076 -2.624 -3.538 147 2HB CYS 21 1HB CYS 21 1.428 -3.669 -3.955 148 H LYS 22 H LYS 22 2.250 -4.298 -0.084 149 HA LYS 22 HA LYS 22 5.046 -4.425 -0.757 150 1HB LYS 22 2HB LYS 22 3.449 -5.818 1.398 151 2HB LYS 22 1HB LYS 22 5.198 -5.891 1.246 152 1HG LYS 22 2HG LYS 22 5.484 -3.710 1.917 153 2HG LYS 22 1HG LYS 22 3.857 -3.236 1.428 154 1HD LYS 22 2HD LYS 22 3.086 -3.613 3.479 155 2HD LYS 22 1HD LYS 22 3.702 -5.266 3.444 156 1HE LYS 22 2HE LYS 22 5.987 -4.160 3.960 157 2HE LYS 22 1HE LYS 22 5.019 -2.773 4.457 158 1HZ LYS 22 1HZ LYS 22 3.776 -4.736 5.750 159 2HZ LYS 22 2HZ LYS 22 5.043 -3.838 6.420 160 3HZ LYS 22 3HZ LYS 22 5.349 -5.356 5.737 161 H PHE 23 H PHE 23 5.307 -5.516 -2.664 162 HA PHE 23 HA PHE 23 5.250 -7.240 -4.178 163 1HB PHE 23 2HB PHE 23 6.640 -7.928 -1.877 164 2HB PHE 23 1HB PHE 23 5.619 -9.330 -2.183 165 HD1 PHE 23 1HD PHE 23 8.780 -8.411 -2.551 166 HD2 PHE 23 2HD PHE 23 5.522 -9.560 -5.035 167 HE1 PHE 23 1HE PHE 23 10.366 -9.181 -4.266 168 HE2 PHE 23 2HE PHE 23 7.102 -10.333 -6.755 169 HZ PHE 23 HZ PHE 23 9.528 -10.145 -6.372 170 H ARG 24 H ARG 24 2.725 -6.635 -3.840 171 HA ARG 24 HA ARG 24 0.554 -7.360 -3.695 172 1HB ARG 24 2HB ARG 24 1.581 -9.931 -4.867 173 2HB ARG 24 1HB ARG 24 0.072 -9.095 -5.204 174 1HG ARG 24 2HG ARG 24 1.441 -7.260 -6.240 175 2HG ARG 24 1HG ARG 24 2.838 -8.329 -6.090 176 1HD ARG 24 2HD ARG 24 0.456 -8.537 -7.862 177 2HD ARG 24 1HD ARG 24 2.158 -8.821 -8.225 178 HE ARG 24 HE ARG 24 1.537 -10.826 -6.512 179 1HH1 ARG 24 1HH1 ARG 24 0.112 -9.673 -9.472 180 2HH1 ARG 24 2HH1 ARG 24 -0.476 -11.230 -9.948 181 1HH2 ARG 24 1HH2 ARG 24 0.765 -12.884 -7.130 182 2HH2 ARG 24 2HH2 ARG 24 -0.107 -13.055 -8.617 183 H ASP 25 H ASP 25 2.173 -7.946 -1.339 184 HA ASP 25 HA ASP 25 1.862 -10.490 -0.308 185 1HB ASP 25 2HB ASP 25 3.170 -8.999 0.961 186 2HB ASP 25 1HB ASP 25 1.899 -7.782 1.004 187 H LYS 26 H LYS 26 -0.248 -7.786 0.667 188 HA LYS 26 HA LYS 26 -2.653 -9.172 0.065 189 1HB LYS 26 2HB LYS 26 -1.655 -10.299 2.207 190 2HB LYS 26 1HB LYS 26 -2.265 -8.863 3.019 191 1HG LYS 26 2HG LYS 26 -4.169 -10.220 1.230 192 2HG LYS 26 1HG LYS 26 -3.691 -11.115 2.673 193 1HD LYS 26 2HD LYS 26 -4.186 -8.451 3.473 194 2HD LYS 26 1HD LYS 26 -5.526 -8.937 2.432 195 1HE LYS 26 2HE LYS 26 -6.397 -10.099 4.109 196 2HE LYS 26 1HE LYS 26 -4.952 -11.109 4.152 197 1HZ LYS 26 1HZ LYS 26 -5.529 -8.671 5.723 198 2HZ LYS 26 2HZ LYS 26 -3.957 -9.270 5.559 199 3HZ LYS 26 3HZ LYS 26 -5.150 -10.221 6.289 200 H TYR 27 H TYR 27 -1.306 -6.806 2.381 201 HA TYR 27 HA TYR 27 -3.515 -5.002 1.639 202 1HB TYR 27 2HB TYR 27 -3.034 -3.860 3.824 203 2HB TYR 27 1HB TYR 27 -3.643 -5.501 3.967 204 HD1 TYR 27 1HD TYR 27 -2.509 -7.025 5.321 205 HD2 TYR 27 2HD TYR 27 -0.450 -3.586 3.899 206 HE1 TYR 27 1HE TYR 27 -0.574 -7.612 6.722 207 HE2 TYR 27 2HE TYR 27 1.491 -4.163 5.292 208 HH TYR 27 HH TYR 27 1.421 -6.948 7.483 209 H CYS 28 H CYS 28 -2.649 -2.631 2.508 210 HA CYS 28 HA CYS 28 -0.259 -2.115 0.863 211 1HB CYS 28 2HB CYS 28 -2.471 -0.147 1.470 212 2HB CYS 28 1HB CYS 28 -1.183 0.024 0.282 213 H ALA 29 H ALA 29 1.417 -1.038 1.736 214 HA ALA 29 HA ALA 29 1.052 0.127 4.418 215 1HB ALA 29 1HB ALA 29 3.253 -0.654 5.054 216 2HB ALA 29 2HB ALA 29 3.489 -1.369 3.459 217 3HB ALA 29 3HB ALA 29 2.259 -2.017 4.543 218 H TRP 30 H TRP 30 2.158 2.040 4.847 219 HA TRP 30 HA TRP 30 2.471 3.864 2.851 220 1HB TRP 30 2HB TRP 30 4.145 3.798 5.361 221 2HB TRP 30 1HB TRP 30 3.830 5.208 4.352 222 HD1 TRP 30 HD TRP 30 2.832 3.979 7.461 223 HE1 TRP 30 1HE TRP 30 0.454 4.716 8.149 224 HE3 TRP 30 3HE TRP 30 1.129 5.415 2.894 225 HZ2 TRP 30 2HZ TRP 30 -1.847 5.770 6.881 226 HZ3 TRP 30 3HZ TRP 30 -1.170 6.276 2.697 227 HH2 TRP 30 HH TRP 30 -2.626 6.448 4.650 228 H ASP 31 H ASP 31 3.647 3.969 1.207 229 HA ASP 31 HA ASP 31 5.216 3.045 -0.327 230 1HB ASP 31 2HB ASP 31 5.718 5.469 0.879 231 2HB ASP 31 1HB ASP 31 7.262 4.634 1.016 232 H PHE 32 H PHE 32 5.075 0.986 1.383 233 HA PHE 32 HA PHE 32 7.850 0.376 2.041 234 1HB PHE 32 2HB PHE 32 5.777 0.378 3.787 235 2HB PHE 32 1HB PHE 32 5.756 -1.302 3.259 236 HD1 PHE 32 1HD PHE 32 7.771 1.305 4.894 237 HD2 PHE 32 2HD PHE 32 7.454 -2.828 3.927 238 HE1 PHE 32 1HE PHE 32 9.610 0.804 6.450 239 HE2 PHE 32 2HE PHE 32 9.291 -3.337 5.484 240 HZ PHE 32 HZ PHE 32 10.371 -1.520 6.748 241 H THR 33 H THR 33 8.814 -1.261 1.021 242 HA THR 33 HA THR 33 7.236 -3.421 -0.119 243 HB THR 33 HB THR 33 8.525 -3.170 -2.306 244 HG1 THR 33 1HG THR 33 9.803 -1.538 -2.488 245 1HG2 THR 33 1HG2 THR 33 7.000 -1.596 -3.285 246 2HG2 THR 33 2HG2 THR 33 6.574 -0.966 -1.694 247 3HG2 THR 33 3HG2 THR 33 6.137 -2.617 -2.135 248 H PHE 34 H PHE 34 8.225 -5.295 0.217 249 HA PHE 34 HA PHE 34 9.802 -6.845 0.742 250 1HB PHE 34 2HB PHE 34 10.752 -6.028 -1.437 251 2HB PHE 34 1HB PHE 34 11.783 -4.938 -0.514 252 HD1 PHE 34 1HD PHE 34 13.419 -6.373 -2.041 253 HD2 PHE 34 2HD PHE 34 11.358 -7.820 1.388 254 HE1 PHE 34 1HE PHE 34 15.089 -8.165 -1.800 255 HE2 PHE 34 2HE PHE 34 13.023 -9.615 1.637 256 HZ PHE 34 HZ PHE 34 14.892 -9.787 0.042 257 H SER 35 H SER 35 11.722 -3.862 1.073 258 HA SER 35 HA SER 35 11.638 -3.896 3.924 259 1HB SER 35 2HB SER 35 13.555 -5.595 2.711 260 2HB SER 35 1HB SER 35 14.434 -4.218 3.375 261 HG SER 35 HG SER 35 12.980 -4.695 5.308 Start of MODEL 20 1 HA GLU 1 HA GLU 1 -9.313 1.871 -6.759 2 1HB GLU 1 2HB GLU 1 -10.131 3.444 -8.677 3 2HB GLU 1 1HB GLU 1 -8.793 4.468 -8.171 4 1HG GLU 1 2HG GLU 1 -7.199 2.960 -8.850 5 2HG GLU 1 1HG GLU 1 -8.296 1.584 -8.731 6 1HT GLU 1 1HT GLU 1 -11.377 2.882 -6.725 7 2HT GLU 1 2HT GLU 1 -10.707 4.435 -6.435 8 3HT GLU 1 3HT GLU 1 -10.648 3.231 -5.215 9 H CYS 2 H CYS 2 -8.707 2.234 -4.412 10 HA CYS 2 HA CYS 2 -6.071 2.939 -4.158 11 1HB CYS 2 2HB CYS 2 -5.982 5.174 -4.060 12 2HB CYS 2 1HB CYS 2 -7.703 5.265 -4.330 13 H ARG 3 H ARG 3 -5.959 1.243 -2.923 14 HA ARG 3 HA ARG 3 -7.620 0.891 -0.624 15 1HB ARG 3 2HB ARG 3 -5.562 -0.670 -2.062 16 2HB ARG 3 1HB ARG 3 -5.662 -0.966 -0.334 17 1HG ARG 3 2HG ARG 3 -7.345 -1.931 -2.448 18 2HG ARG 3 1HG ARG 3 -7.298 -2.408 -0.753 19 1HD ARG 3 2HD ARG 3 -8.822 -0.642 -0.160 20 2HD ARG 3 1HD ARG 3 -8.767 0.013 -1.794 21 HE ARG 3 HE ARG 3 -10.207 -2.367 -0.908 22 1HH1 ARG 3 1HH1 ARG 3 -9.197 -0.332 -3.558 23 2HH1 ARG 3 2HH1 ARG 3 -10.395 -0.943 -4.648 24 1HH2 ARG 3 1HH2 ARG 3 -11.784 -3.172 -2.342 25 2HH2 ARG 3 2HH2 ARG 3 -11.863 -2.555 -3.959 26 H TYR 4 H TYR 4 -7.331 2.416 0.777 27 HA TYR 4 HA TYR 4 -4.905 3.616 1.515 28 1HB TYR 4 2HB TYR 4 -7.137 4.582 1.961 29 2HB TYR 4 1HB TYR 4 -7.467 3.304 3.121 30 HD1 TYR 4 1HD TYR 4 -5.217 6.187 2.452 31 HD2 TYR 4 2HD TYR 4 -6.840 3.542 5.360 32 HE1 TYR 4 1HE TYR 4 -4.254 7.573 4.242 33 HE2 TYR 4 2HE TYR 4 -5.884 4.919 7.157 34 HH TYR 4 HH TYR 4 -4.206 6.538 7.540 35 H LEU 5 H LEU 5 -4.269 3.460 4.055 36 HA LEU 5 HA LEU 5 -2.777 1.330 4.582 37 1HB LEU 5 2HB LEU 5 -3.754 3.441 6.083 38 2HB LEU 5 1HB LEU 5 -4.234 2.023 6.996 39 HG LEU 5 HG LEU 5 -1.513 3.094 6.451 40 1HD1 LEU 5 1HD1 LEU 5 -1.857 3.490 8.624 41 2HD1 LEU 5 2HD1 LEU 5 -1.529 1.771 8.846 42 3HD1 LEU 5 3HD1 LEU 5 -3.192 2.343 8.718 43 1HD2 LEU 5 1HD2 LEU 5 -0.894 1.085 5.615 44 2HD2 LEU 5 2HD2 LEU 5 -2.258 0.235 6.341 45 3HD2 LEU 5 3HD2 LEU 5 -0.854 0.650 7.323 46 H PHE 6 H PHE 6 -2.965 -0.782 4.870 47 HA PHE 6 HA PHE 6 -3.807 -2.829 5.405 48 1HB PHE 6 2HB PHE 6 -6.119 -1.348 6.661 49 2HB PHE 6 1HB PHE 6 -5.658 -3.021 6.952 50 HD1 PHE 6 1HD PHE 6 -5.496 0.213 8.212 51 HD2 PHE 6 2HD PHE 6 -3.130 -3.297 7.756 52 HE1 PHE 6 1HE PHE 6 -4.062 0.943 10.074 53 HE2 PHE 6 2HE PHE 6 -1.693 -2.573 9.620 54 HZ PHE 6 HZ PHE 6 -2.159 -0.451 10.780 55 H GLY 7 H GLY 7 -4.658 -1.196 2.981 56 1HA GLY 7 2HA GLY 7 -7.272 -2.345 2.394 57 2HA GLY 7 1HA GLY 7 -6.376 -1.226 1.380 58 H GLY 8 H GLY 8 -7.584 -4.194 1.333 59 1HA GLY 8 2HA GLY 8 -5.512 -5.919 0.608 60 2HA GLY 8 1HA GLY 8 -7.173 -6.055 0.048 61 H CYS 9 H CYS 9 -4.018 -5.619 -0.924 62 HA CYS 9 HA CYS 9 -4.914 -4.519 -3.510 63 1HB CYS 9 2HB CYS 9 -2.643 -3.506 -3.735 64 2HB CYS 9 1HB CYS 9 -3.603 -2.818 -2.430 65 H LYS 10 H LYS 10 -4.288 -5.560 -5.321 66 HA LYS 10 HA LYS 10 -2.975 -8.124 -4.999 67 1HB LYS 10 2HB LYS 10 -5.036 -7.588 -6.497 68 2HB LYS 10 1HB LYS 10 -3.841 -6.982 -7.636 69 1HG LYS 10 2HG LYS 10 -3.143 -9.039 -8.201 70 2HG LYS 10 1HG LYS 10 -3.286 -9.654 -6.552 71 1HD LYS 10 2HD LYS 10 -5.894 -9.267 -7.182 72 2HD LYS 10 1HD LYS 10 -5.229 -9.686 -8.762 73 1HE LYS 10 2HE LYS 10 -5.693 -11.780 -8.000 74 2HE LYS 10 1HE LYS 10 -4.065 -11.600 -7.345 75 1HZ LYS 10 1HZ LYS 10 -5.639 -10.536 -5.410 76 2HZ LYS 10 2HZ LYS 10 -5.007 -12.106 -5.405 77 3HZ LYS 10 3HZ LYS 10 -6.576 -11.829 -5.971 78 H THR 11 H THR 11 -2.260 -4.951 -5.998 79 HA THR 11 HA THR 11 0.520 -5.662 -6.424 80 HB THR 11 HB THR 11 0.497 -5.482 -8.646 81 HG1 THR 11 1HG THR 11 0.090 -3.397 -9.548 82 1HG2 THR 11 1HG2 THR 11 -1.430 -5.160 -9.971 83 2HG2 THR 11 2HG2 THR 11 -2.276 -4.341 -8.657 84 3HG2 THR 11 3HG2 THR 11 -1.937 -6.068 -8.547 85 H THR 12 H THR 12 1.680 -3.459 -7.065 86 HA THR 12 HA THR 12 1.310 -1.760 -4.805 87 HB THR 12 HB THR 12 3.097 -1.675 -7.218 88 HG1 THR 12 1HG THR 12 4.098 -2.876 -5.795 89 1HG2 THR 12 1HG2 THR 12 4.203 0.272 -6.370 90 2HG2 THR 12 2HG2 THR 12 3.065 0.375 -5.025 91 3HG2 THR 12 3HG2 THR 12 2.507 0.646 -6.676 92 H SER 13 H SER 13 0.273 -1.711 -8.108 93 HA SER 13 HA SER 13 -0.552 1.037 -8.041 94 1HB SER 13 2HB SER 13 -1.210 -1.033 -10.136 95 2HB SER 13 1HB SER 13 -1.263 0.720 -10.313 96 HG SER 13 HG SER 13 1.052 -0.863 -9.874 97 H ASP 14 H ASP 14 -1.713 -1.257 -6.314 98 HA ASP 14 HA ASP 14 -4.542 -0.852 -7.002 99 1HB ASP 14 2HB ASP 14 -3.040 -3.095 -5.735 100 2HB ASP 14 1HB ASP 14 -4.705 -2.831 -5.231 101 H CYS 15 H CYS 15 -2.316 0.530 -5.105 102 HA CYS 15 HA CYS 15 -4.230 0.965 -2.909 103 1HB CYS 15 2HB CYS 15 -1.228 1.230 -2.699 104 2HB CYS 15 1HB CYS 15 -2.398 1.302 -1.387 105 H CYS 16 H CYS 16 -3.933 3.020 -1.774 106 HA CYS 16 HA CYS 16 -4.392 5.171 -3.428 107 1HB CYS 16 2HB CYS 16 -3.470 5.263 -0.570 108 2HB CYS 16 1HB CYS 16 -4.349 6.524 -1.433 109 H LYS 17 H LYS 17 -2.688 7.049 -1.869 110 HA LYS 17 HA LYS 17 -0.561 7.129 -3.845 111 1HB LYS 17 2HB LYS 17 -2.161 9.063 -2.671 112 2HB LYS 17 1HB LYS 17 -0.595 9.301 -1.907 113 1HG LYS 17 2HG LYS 17 0.446 9.824 -3.912 114 2HG LYS 17 1HG LYS 17 -0.816 9.059 -4.881 115 1HD LYS 17 2HD LYS 17 -2.282 10.839 -4.605 116 2HD LYS 17 1HD LYS 17 -1.460 11.420 -3.156 117 1HE LYS 17 2HE LYS 17 -0.169 12.772 -4.357 118 2HE LYS 17 1HE LYS 17 0.334 11.444 -5.403 119 1HZ LYS 17 1HZ LYS 17 -2.337 12.346 -5.934 120 2HZ LYS 17 2HZ LYS 17 -1.048 12.105 -7.002 121 3HZ LYS 17 3HZ LYS 17 -1.183 13.563 -6.155 122 H HIS 18 H HIS 18 -0.582 8.015 -0.423 123 HA HIS 18 HA HIS 18 2.137 7.646 -0.066 124 1HB HIS 18 2HB HIS 18 -0.145 7.727 1.884 125 2HB HIS 18 1HB HIS 18 1.529 7.583 2.411 126 HD1 HIS 18 1HD HIS 18 0.665 9.959 3.574 127 HD2 HIS 18 2HD HIS 18 1.502 9.958 -0.496 128 HE1 HIS 18 1HE HIS 18 1.002 12.374 2.956 129 HE2 HIS 18 2HE HIS 18 1.571 12.344 0.503 130 H LEU 19 H LEU 19 -0.227 5.323 -0.444 131 HA LEU 19 HA LEU 19 1.216 3.331 1.135 132 1HB LEU 19 2HB LEU 19 -1.496 3.335 -0.156 133 2HB LEU 19 1HB LEU 19 -0.790 1.897 0.560 134 HG LEU 19 HG LEU 19 -0.616 4.041 2.437 135 1HD1 LEU 19 1HD1 LEU 19 -3.363 3.795 2.514 136 2HD1 LEU 19 2HD1 LEU 19 -3.007 4.072 0.812 137 3HD1 LEU 19 3HD1 LEU 19 -2.450 5.220 2.028 138 1HD2 LEU 19 1HD2 LEU 19 -0.762 1.455 2.646 139 2HD2 LEU 19 2HD2 LEU 19 -2.502 1.742 2.659 140 3HD2 LEU 19 3HD2 LEU 19 -1.476 2.480 3.890 141 H GLY 20 H GLY 20 2.082 1.515 0.350 142 1HA GLY 20 2HA GLY 20 2.077 1.101 -2.567 143 2HA GLY 20 1HA GLY 20 3.586 1.079 -1.658 144 H CYS 21 H CYS 21 1.677 -0.967 -3.143 145 HA CYS 21 HA CYS 21 1.039 -2.863 -1.143 146 1HB CYS 21 2HB CYS 21 0.103 -2.574 -3.558 147 2HB CYS 21 1HB CYS 21 1.434 -3.634 -4.006 148 H LYS 22 H LYS 22 2.310 -4.251 -0.124 149 HA LYS 22 HA LYS 22 4.982 -4.777 -1.241 150 1HB LYS 22 2HB LYS 22 4.064 -4.046 1.387 151 2HB LYS 22 1HB LYS 22 4.901 -5.590 1.454 152 1HG LYS 22 2HG LYS 22 6.706 -4.271 1.700 153 2HG LYS 22 1HG LYS 22 6.629 -4.214 -0.063 154 1HD LYS 22 2HD LYS 22 5.727 -2.083 -0.082 155 2HD LYS 22 1HD LYS 22 5.098 -2.224 1.561 156 1HE LYS 22 2HE LYS 22 8.045 -2.315 1.131 157 2HE LYS 22 1HE LYS 22 7.219 -0.760 1.038 158 1HZ LYS 22 1HZ LYS 22 8.133 -1.793 3.303 159 2HZ LYS 22 2HZ LYS 22 6.562 -2.422 3.329 160 3HZ LYS 22 3HZ LYS 22 6.800 -0.751 3.237 161 H PHE 23 H PHE 23 5.920 -6.921 -0.585 162 HA PHE 23 HA PHE 23 4.033 -8.991 -1.241 163 1HB PHE 23 2HB PHE 23 7.018 -8.820 -1.099 164 2HB PHE 23 1HB PHE 23 6.235 -10.397 -1.116 165 HD1 PHE 23 1HD PHE 23 7.573 -7.828 -3.094 166 HD2 PHE 23 2HD PHE 23 4.471 -10.741 -3.025 167 HE1 PHE 23 1HE PHE 23 7.411 -7.708 -5.546 168 HE2 PHE 23 2HE PHE 23 4.303 -10.626 -5.477 169 HZ PHE 23 HZ PHE 23 5.775 -9.108 -6.741 170 H ARG 24 H ARG 24 3.985 -11.030 -0.039 171 HA ARG 24 HA ARG 24 3.663 -12.238 1.859 172 1HB ARG 24 2HB ARG 24 5.940 -10.500 2.811 173 2HB ARG 24 1HB ARG 24 5.275 -11.829 3.750 174 1HG ARG 24 2HG ARG 24 5.896 -12.727 1.101 175 2HG ARG 24 1HG ARG 24 7.298 -11.933 1.819 176 1HD ARG 24 2HD ARG 24 7.659 -13.644 3.197 177 2HD ARG 24 1HD ARG 24 5.977 -13.659 3.723 178 HE ARG 24 HE ARG 24 6.372 -14.829 1.132 179 1HH1 ARG 24 1HH1 ARG 24 6.447 -15.405 4.565 180 2HH1 ARG 24 2HH1 ARG 24 6.182 -17.110 4.417 181 1HH2 ARG 24 1HH2 ARG 24 6.030 -17.072 0.922 182 2HH2 ARG 24 2HH2 ARG 24 5.947 -18.060 2.341 183 H ASP 25 H ASP 25 1.692 -10.609 1.609 184 HA ASP 25 HA ASP 25 0.681 -10.138 4.145 185 1HB ASP 25 2HB ASP 25 0.638 -7.476 3.720 186 2HB ASP 25 1HB ASP 25 1.863 -8.273 4.699 187 H LYS 26 H LYS 26 0.662 -8.368 1.053 188 HA LYS 26 HA LYS 26 -0.956 -8.375 -0.595 189 1HB LYS 26 2HB LYS 26 -2.890 -9.613 1.355 190 2HB LYS 26 1HB LYS 26 -2.995 -9.575 -0.399 191 1HG LYS 26 2HG LYS 26 -0.570 -10.851 0.221 192 2HG LYS 26 1HG LYS 26 -1.792 -11.531 1.297 193 1HD LYS 26 2HD LYS 26 -2.697 -12.693 -0.373 194 2HD LYS 26 1HD LYS 26 -2.838 -11.245 -1.371 195 1HE LYS 26 2HE LYS 26 -1.472 -12.937 -2.472 196 2HE LYS 26 1HE LYS 26 -0.516 -11.508 -2.085 197 1HZ LYS 26 1HZ LYS 26 0.080 -14.100 -1.432 198 2HZ LYS 26 2HZ LYS 26 -0.451 -13.422 0.024 199 3HZ LYS 26 3HZ LYS 26 0.832 -12.713 -0.819 200 H TYR 27 H TYR 27 -0.777 -6.754 2.207 201 HA TYR 27 HA TYR 27 -3.213 -5.182 1.740 202 1HB TYR 27 2HB TYR 27 -2.549 -4.071 3.939 203 2HB TYR 27 1HB TYR 27 -3.085 -5.742 4.025 204 HD1 TYR 27 1HD TYR 27 -1.942 -6.903 5.664 205 HD2 TYR 27 2HD TYR 27 0.192 -4.089 3.291 206 HE1 TYR 27 1HE TYR 27 0.135 -7.492 6.842 207 HE2 TYR 27 2HE TYR 27 2.274 -4.671 4.461 208 HH TYR 27 HH TYR 27 2.461 -6.102 7.279 209 H CYS 28 H CYS 28 -2.649 -2.750 2.580 210 HA CYS 28 HA CYS 28 -0.515 -1.856 0.762 211 1HB CYS 28 2HB CYS 28 -2.968 -0.348 1.691 212 2HB CYS 28 1HB CYS 28 -1.744 0.266 0.586 213 H ALA 29 H ALA 29 1.242 -1.076 1.677 214 HA ALA 29 HA ALA 29 1.007 0.164 4.343 215 1HB ALA 29 1HB ALA 29 3.045 -0.761 5.011 216 2HB ALA 29 2HB ALA 29 3.496 -1.188 3.361 217 3HB ALA 29 3HB ALA 29 2.218 -2.082 4.184 218 H TRP 30 H TRP 30 2.044 2.070 4.688 219 HA TRP 30 HA TRP 30 2.340 3.961 2.827 220 1HB TRP 30 2HB TRP 30 4.230 3.590 5.161 221 2HB TRP 30 1HB TRP 30 3.992 5.091 4.272 222 HD1 TRP 30 HD TRP 30 3.132 3.915 7.450 223 HE1 TRP 30 1HE TRP 30 0.862 4.782 8.298 224 HE3 TRP 30 3HE TRP 30 1.152 5.474 3.005 225 HZ2 TRP 30 2HZ TRP 30 -1.460 5.970 7.222 226 HZ3 TRP 30 3HZ TRP 30 -1.101 6.464 3.001 227 HH2 TRP 30 HH TRP 30 -2.380 6.705 5.067 228 H ASP 31 H ASP 31 4.106 4.896 1.643 229 HA ASP 31 HA ASP 31 5.648 2.954 0.265 230 1HB ASP 31 2HB ASP 31 5.724 5.967 0.060 231 2HB ASP 31 1HB ASP 31 6.462 4.842 -1.077 232 H PHE 32 H PHE 32 6.445 2.690 2.783 233 HA PHE 32 HA PHE 32 8.349 4.093 4.010 234 1HB PHE 32 2HB PHE 32 7.649 1.918 4.812 235 2HB PHE 32 1HB PHE 32 8.424 1.126 3.445 236 HD1 PHE 32 1HD PHE 32 9.810 -0.303 4.762 237 HD2 PHE 32 2HD PHE 32 9.961 3.920 5.267 238 HE1 PHE 32 1HE PHE 32 11.878 -0.538 6.074 239 HE2 PHE 32 2HE PHE 32 12.029 3.693 6.579 240 HZ PHE 32 HZ PHE 32 12.992 1.461 6.985 241 H THR 33 H THR 33 10.258 4.962 3.558 242 HA THR 33 HA THR 33 11.413 5.074 1.080 243 HB THR 33 HB THR 33 13.275 6.092 2.082 244 HG1 THR 33 1HG THR 33 13.985 5.610 4.142 245 1HG2 THR 33 1HG2 THR 33 11.830 6.678 4.494 246 2HG2 THR 33 2HG2 THR 33 10.765 6.736 3.090 247 3HG2 THR 33 3HG2 THR 33 12.224 7.727 3.133 248 H PHE 34 H PHE 34 13.171 4.061 0.061 249 HA PHE 34 HA PHE 34 14.004 1.480 1.196 250 1HB PHE 34 2HB PHE 34 12.175 1.503 -0.732 251 2HB PHE 34 1HB PHE 34 13.597 1.682 -1.752 252 HD1 PHE 34 1HD PHE 34 12.089 -0.469 0.864 253 HD2 PHE 34 2HD PHE 34 14.892 -0.170 -2.323 254 HE1 PHE 34 1HE PHE 34 12.456 -2.900 0.965 255 HE2 PHE 34 2HE PHE 34 15.265 -2.600 -2.229 256 HZ PHE 34 HZ PHE 34 14.045 -3.969 -0.584 257 H SER 35 H SER 35 15.275 4.166 0.956 258 HA SER 35 HA SER 35 17.402 4.933 0.656 259 1HB SER 35 2HB SER 35 18.337 2.427 -0.660 260 2HB SER 35 1HB SER 35 19.142 3.433 0.545 261 HG SER 35 HG SER 35 18.536 1.643 1.634 Start of MODEL 21 1 HA GLU 1 HA GLU 1 -10.272 2.997 -6.312 2 1HB GLU 1 2HB GLU 1 -8.466 1.472 -8.108 3 2HB GLU 1 1HB GLU 1 -8.415 1.043 -6.404 4 1HG GLU 1 2HG GLU 1 -11.059 1.062 -6.749 5 2HG GLU 1 1HG GLU 1 -10.565 0.672 -8.395 6 1HT GLU 1 1HT GLU 1 -10.377 3.866 -8.305 7 2HT GLU 1 2HT GLU 1 -8.859 3.228 -8.792 8 3HT GLU 1 3HT GLU 1 -8.928 4.667 -7.860 9 H CYS 2 H CYS 2 -8.654 2.052 -4.518 10 HA CYS 2 HA CYS 2 -6.116 2.916 -4.092 11 1HB CYS 2 2HB CYS 2 -6.158 5.152 -3.995 12 2HB CYS 2 1HB CYS 2 -7.890 5.168 -4.205 13 H ARG 3 H ARG 3 -5.795 1.393 -2.768 14 HA ARG 3 HA ARG 3 -7.529 0.884 -0.522 15 1HB ARG 3 2HB ARG 3 -5.456 -0.601 -2.013 16 2HB ARG 3 1HB ARG 3 -5.492 -0.909 -0.283 17 1HG ARG 3 2HG ARG 3 -7.135 -2.008 -2.309 18 2HG ARG 3 1HG ARG 3 -7.161 -2.338 -0.579 19 1HD ARG 3 2HD ARG 3 -8.777 -0.649 -0.188 20 2HD ARG 3 1HD ARG 3 -8.567 0.024 -1.802 21 HE ARG 3 HE ARG 3 -9.527 -2.712 -1.709 22 1HH1 ARG 3 1HH1 ARG 3 -10.346 0.668 -1.872 23 2HH1 ARG 3 2HH1 ARG 3 -11.916 0.390 -2.549 24 1HH2 ARG 3 1HH2 ARG 3 -11.589 -3.093 -2.604 25 2HH2 ARG 3 2HH2 ARG 3 -12.623 -1.752 -2.966 26 H TYR 4 H TYR 4 -7.272 2.382 0.907 27 HA TYR 4 HA TYR 4 -4.960 3.747 1.631 28 1HB TYR 4 2HB TYR 4 -7.492 4.017 2.346 29 2HB TYR 4 1HB TYR 4 -6.993 3.041 3.721 30 HD1 TYR 4 1HD TYR 4 -6.978 4.484 5.538 31 HD2 TYR 4 2HD TYR 4 -5.149 5.726 1.902 32 HE1 TYR 4 1HE TYR 4 -6.126 6.496 6.663 33 HE2 TYR 4 2HE TYR 4 -4.291 7.743 3.019 34 HH TYR 4 HH TYR 4 -5.411 8.853 5.924 35 H LEU 5 H LEU 5 -4.661 3.349 4.399 36 HA LEU 5 HA LEU 5 -2.753 1.288 4.462 37 1HB LEU 5 2HB LEU 5 -3.246 3.411 6.033 38 2HB LEU 5 1HB LEU 5 -3.948 2.148 7.029 39 HG LEU 5 HG LEU 5 -1.812 2.176 7.854 40 1HD1 LEU 5 1HD1 LEU 5 -0.843 0.176 7.307 41 2HD1 LEU 5 2HD1 LEU 5 -1.085 0.405 5.575 42 3HD1 LEU 5 3HD1 LEU 5 -2.446 -0.044 6.604 43 1HD2 LEU 5 1HD2 LEU 5 -0.159 3.318 6.909 44 2HD2 LEU 5 2HD2 LEU 5 -1.256 3.656 5.569 45 3HD2 LEU 5 3HD2 LEU 5 -0.162 2.276 5.488 46 H PHE 6 H PHE 6 -2.970 -0.817 4.645 47 HA PHE 6 HA PHE 6 -3.721 -2.857 5.353 48 1HB PHE 6 2HB PHE 6 -4.953 -1.092 7.210 49 2HB PHE 6 1HB PHE 6 -6.169 -2.255 6.694 50 HD1 PHE 6 1HD PHE 6 -6.388 -4.048 8.100 51 HD2 PHE 6 2HD PHE 6 -2.529 -2.349 7.523 52 HE1 PHE 6 1HE PHE 6 -5.427 -5.716 9.634 53 HE2 PHE 6 2HE PHE 6 -1.561 -4.013 9.055 54 HZ PHE 6 HZ PHE 6 -3.011 -5.698 10.113 55 H GLY 7 H GLY 7 -4.598 -1.339 2.957 56 1HA GLY 7 2HA GLY 7 -7.276 -2.426 2.486 57 2HA GLY 7 1HA GLY 7 -6.428 -1.282 1.457 58 H GLY 8 H GLY 8 -7.626 -4.246 1.400 59 1HA GLY 8 2HA GLY 8 -5.631 -5.994 0.587 60 2HA GLY 8 1HA GLY 8 -7.296 -6.058 0.030 61 H CYS 9 H CYS 9 -4.137 -5.736 -0.946 62 HA CYS 9 HA CYS 9 -4.989 -4.533 -3.503 63 1HB CYS 9 2HB CYS 9 -2.590 -3.717 -3.700 64 2HB CYS 9 1HB CYS 9 -3.597 -2.894 -2.516 65 H LYS 10 H LYS 10 -4.144 -5.380 -5.384 66 HA LYS 10 HA LYS 10 -3.078 -8.085 -5.144 67 1HB LYS 10 2HB LYS 10 -5.033 -7.079 -6.747 68 2HB LYS 10 1HB LYS 10 -3.644 -6.983 -7.821 69 1HG LYS 10 2HG LYS 10 -3.739 -9.540 -6.498 70 2HG LYS 10 1HG LYS 10 -5.253 -9.197 -7.339 71 1HD LYS 10 2HD LYS 10 -4.055 -10.138 -9.048 72 2HD LYS 10 1HD LYS 10 -3.616 -8.442 -9.262 73 1HE LYS 10 2HE LYS 10 -1.805 -9.489 -7.390 74 2HE LYS 10 1HE LYS 10 -1.939 -10.696 -8.667 75 1HZ LYS 10 1HZ LYS 10 -0.574 -8.231 -8.706 76 2HZ LYS 10 2HZ LYS 10 -1.765 -8.219 -9.908 77 3HZ LYS 10 3HZ LYS 10 -0.600 -9.445 -9.885 78 H THR 11 H THR 11 -2.256 -4.917 -6.139 79 HA THR 11 HA THR 11 0.517 -5.724 -6.528 80 HB THR 11 HB THR 11 0.464 -5.436 -8.744 81 HG1 THR 11 1HG THR 11 0.991 -3.476 -9.176 82 1HG2 THR 11 1HG2 THR 11 -1.500 -4.522 -9.966 83 2HG2 THR 11 2HG2 THR 11 -2.291 -4.290 -8.405 84 3HG2 THR 11 3HG2 THR 11 -1.860 -5.913 -8.945 85 H THR 12 H THR 12 1.761 -3.536 -7.044 86 HA THR 12 HA THR 12 1.467 -1.981 -4.675 87 HB THR 12 HB THR 12 3.244 -1.778 -7.089 88 HG1 THR 12 1HG THR 12 4.633 -2.706 -5.808 89 1HG2 THR 12 1HG2 THR 12 3.408 0.054 -4.721 90 2HG2 THR 12 2HG2 THR 12 2.692 0.515 -6.266 91 3HG2 THR 12 3HG2 THR 12 4.398 0.071 -6.180 92 H SER 13 H SER 13 0.491 -1.612 -7.997 93 HA SER 13 HA SER 13 -0.219 1.146 -7.718 94 1HB SER 13 2HB SER 13 0.562 0.136 -9.873 95 2HB SER 13 1HB SER 13 -0.965 -0.742 -9.953 96 HG SER 13 HG SER 13 -0.470 1.722 -10.759 97 H ASP 14 H ASP 14 -1.587 -1.542 -6.507 98 HA ASP 14 HA ASP 14 -4.357 -0.854 -7.090 99 1HB ASP 14 2HB ASP 14 -2.984 -3.153 -5.758 100 2HB ASP 14 1HB ASP 14 -4.679 -2.848 -5.398 101 H CYS 15 H CYS 15 -2.279 0.628 -5.235 102 HA CYS 15 HA CYS 15 -4.170 0.920 -3.003 103 1HB CYS 15 2HB CYS 15 -1.188 1.336 -2.814 104 2HB CYS 15 1HB CYS 15 -2.349 1.321 -1.489 105 H CYS 16 H CYS 16 -3.946 2.976 -1.837 106 HA CYS 16 HA CYS 16 -4.538 5.131 -3.438 107 1HB CYS 16 2HB CYS 16 -3.538 5.213 -0.606 108 2HB CYS 16 1HB CYS 16 -4.497 6.449 -1.418 109 H LYS 17 H LYS 17 -2.857 7.049 -1.883 110 HA LYS 17 HA LYS 17 -0.799 7.241 -3.917 111 1HB LYS 17 2HB LYS 17 -2.272 9.091 -2.229 112 2HB LYS 17 1HB LYS 17 -0.550 9.442 -2.248 113 1HG LYS 17 2HG LYS 17 -2.306 9.174 -4.678 114 2HG LYS 17 1HG LYS 17 -1.758 10.690 -3.960 115 1HD LYS 17 2HD LYS 17 -0.075 8.550 -5.250 116 2HD LYS 17 1HD LYS 17 -0.328 10.206 -5.810 117 1HE LYS 17 2HE LYS 17 0.625 10.666 -3.327 118 2HE LYS 17 1HE LYS 17 1.457 9.160 -3.712 119 1HZ LYS 17 1HZ LYS 17 2.182 10.244 -5.815 120 2HZ LYS 17 2HZ LYS 17 2.823 10.947 -4.417 121 3HZ LYS 17 3HZ LYS 17 1.550 11.702 -5.234 122 H HIS 18 H HIS 18 -0.724 8.077 -0.490 123 HA HIS 18 HA HIS 18 2.023 7.765 -0.270 124 1HB HIS 18 2HB HIS 18 -0.086 7.767 1.876 125 2HB HIS 18 1HB HIS 18 1.643 7.923 2.177 126 HD1 HIS 18 1HD HIS 18 -0.389 10.150 2.966 127 HD2 HIS 18 2HD HIS 18 1.823 10.084 -0.552 128 HE1 HIS 18 1HE HIS 18 -0.270 12.543 2.200 129 HE2 HIS 18 2HE HIS 18 0.981 12.462 0.015 130 H LEU 19 H LEU 19 -0.307 5.390 -0.494 131 HA LEU 19 HA LEU 19 1.221 3.469 1.093 132 1HB LEU 19 2HB LEU 19 -1.498 3.371 -0.172 133 2HB LEU 19 1HB LEU 19 -0.708 1.923 0.422 134 HG LEU 19 HG LEU 19 -0.594 3.943 2.446 135 1HD1 LEU 19 1HD1 LEU 19 -3.188 3.648 1.036 136 2HD1 LEU 19 2HD1 LEU 19 -2.498 5.042 1.870 137 3HD1 LEU 19 3HD1 LEU 19 -3.203 3.721 2.797 138 1HD2 LEU 19 1HD2 LEU 19 -2.346 1.564 2.660 139 2HD2 LEU 19 2HD2 LEU 19 -1.161 2.207 3.796 140 3HD2 LEU 19 3HD2 LEU 19 -0.626 1.296 2.384 141 H GLY 20 H GLY 20 1.646 1.346 0.255 142 1HA GLY 20 2HA GLY 20 1.851 1.022 -2.624 143 2HA GLY 20 1HA GLY 20 3.379 1.125 -1.757 144 H CYS 21 H CYS 21 1.436 -1.043 -3.097 145 HA CYS 21 HA CYS 21 1.112 -2.960 -1.040 146 1HB CYS 21 2HB CYS 21 -0.083 -2.715 -3.354 147 2HB CYS 21 1HB CYS 21 1.225 -3.749 -3.922 148 H LYS 22 H LYS 22 2.443 -4.502 -0.297 149 HA LYS 22 HA LYS 22 5.144 -4.582 -1.408 150 1HB LYS 22 2HB LYS 22 5.251 -4.216 0.887 151 2HB LYS 22 1HB LYS 22 3.917 -5.306 1.226 152 1HG LYS 22 2HG LYS 22 5.905 -6.926 0.130 153 2HG LYS 22 1HG LYS 22 6.747 -5.815 1.211 154 1HD LYS 22 2HD LYS 22 4.592 -6.466 2.716 155 2HD LYS 22 1HD LYS 22 4.841 -7.965 1.819 156 1HE LYS 22 2HE LYS 22 7.392 -7.201 2.597 157 2HE LYS 22 1HE LYS 22 6.382 -6.831 3.995 158 1HZ LYS 22 1HZ LYS 22 6.714 -8.984 4.459 159 2HZ LYS 22 2HZ LYS 22 7.107 -9.396 2.867 160 3HZ LYS 22 3HZ LYS 22 5.486 -9.256 3.328 161 H PHE 23 H PHE 23 5.408 -6.012 -2.974 162 HA PHE 23 HA PHE 23 5.011 -7.867 -4.291 163 1HB PHE 23 2HB PHE 23 6.179 -8.722 -1.682 164 2HB PHE 23 1HB PHE 23 5.744 -9.960 -2.856 165 HD1 PHE 23 1HD PHE 23 7.775 -6.904 -2.382 166 HD2 PHE 23 2HD PHE 23 7.131 -10.422 -4.685 167 HE1 PHE 23 1HE PHE 23 9.896 -6.511 -3.567 168 HE2 PHE 23 2HE PHE 23 9.251 -10.036 -5.876 169 HZ PHE 23 HZ PHE 23 10.636 -8.077 -5.316 170 H ARG 24 H ARG 24 2.579 -7.277 -3.975 171 HA ARG 24 HA ARG 24 0.421 -7.906 -3.424 172 1HB ARG 24 2HB ARG 24 1.132 -9.167 -5.484 173 2HB ARG 24 1HB ARG 24 1.486 -10.542 -4.445 174 1HG ARG 24 2HG ARG 24 -0.994 -10.186 -3.665 175 2HG ARG 24 1HG ARG 24 -1.137 -9.378 -5.228 176 1HD ARG 24 2HD ARG 24 -0.270 -12.216 -4.706 177 2HD ARG 24 1HD ARG 24 -1.748 -11.680 -5.502 178 HE ARG 24 HE ARG 24 0.068 -10.637 -7.120 179 1HH1 ARG 24 1HH1 ARG 24 -0.075 -13.801 -5.669 180 2HH1 ARG 24 2HH1 ARG 24 0.791 -14.572 -6.953 181 1HH2 ARG 24 1HH2 ARG 24 1.210 -11.643 -8.817 182 2HH2 ARG 24 2HH2 ARG 24 1.522 -13.345 -8.745 183 H ASP 25 H ASP 25 2.062 -8.069 -1.124 184 HA ASP 25 HA ASP 25 1.996 -10.482 0.251 185 1HB ASP 25 2HB ASP 25 2.026 -9.049 2.325 186 2HB ASP 25 1HB ASP 25 3.275 -8.678 1.142 187 H LYS 26 H LYS 26 -0.402 -7.839 0.339 188 HA LYS 26 HA LYS 26 -2.687 -9.301 0.240 189 1HB LYS 26 2HB LYS 26 -1.322 -9.783 2.731 190 2HB LYS 26 1HB LYS 26 -2.884 -9.034 3.032 191 1HG LYS 26 2HG LYS 26 -3.865 -10.808 1.510 192 2HG LYS 26 1HG LYS 26 -2.301 -11.619 1.625 193 1HD LYS 26 2HD LYS 26 -2.802 -12.435 3.636 194 2HD LYS 26 1HD LYS 26 -3.244 -10.837 4.234 195 1HE LYS 26 2HE LYS 26 -5.406 -11.317 2.765 196 2HE LYS 26 1HE LYS 26 -4.949 -12.985 3.101 197 1HZ LYS 26 1HZ LYS 26 -4.753 -11.990 5.529 198 2HZ LYS 26 2HZ LYS 26 -6.213 -12.587 4.918 199 3HZ LYS 26 3HZ LYS 26 -5.916 -10.922 4.920 200 H TYR 27 H TYR 27 -1.204 -6.802 2.298 201 HA TYR 27 HA TYR 27 -3.537 -5.097 1.718 202 1HB TYR 27 2HB TYR 27 -2.976 -3.930 3.877 203 2HB TYR 27 1HB TYR 27 -3.565 -5.577 4.048 204 HD1 TYR 27 1HD TYR 27 -2.249 -7.234 5.115 205 HD2 TYR 27 2HD TYR 27 -0.507 -3.491 4.084 206 HE1 TYR 27 1HE TYR 27 -0.249 -7.806 6.428 207 HE2 TYR 27 2HE TYR 27 1.497 -4.054 5.395 208 HH TYR 27 HH TYR 27 2.085 -5.555 7.309 209 H CYS 28 H CYS 28 -2.754 -2.705 2.489 210 HA CYS 28 HA CYS 28 -0.445 -2.116 0.759 211 1HB CYS 28 2HB CYS 28 -2.776 -0.340 1.506 212 2HB CYS 28 1HB CYS 28 -1.448 0.110 0.443 213 H ALA 29 H ALA 29 1.284 -1.112 1.577 214 HA ALA 29 HA ALA 29 1.064 0.007 4.299 215 1HB ALA 29 1HB ALA 29 3.668 -1.022 3.283 216 2HB ALA 29 2HB ALA 29 2.457 -2.174 3.846 217 3HB ALA 29 3HB ALA 29 3.059 -0.924 4.937 218 H TRP 30 H TRP 30 2.118 1.939 4.716 219 HA TRP 30 HA TRP 30 2.182 3.947 2.958 220 1HB TRP 30 2HB TRP 30 4.180 3.444 5.168 221 2HB TRP 30 1HB TRP 30 4.068 4.969 4.294 222 HD1 TRP 30 HD TRP 30 3.190 3.898 7.484 223 HE1 TRP 30 1HE TRP 30 1.027 4.963 8.387 224 HE3 TRP 30 3HE TRP 30 1.199 5.557 3.077 225 HZ2 TRP 30 2HZ TRP 30 -1.222 6.322 7.368 226 HZ3 TRP 30 3HZ TRP 30 -0.966 6.727 3.132 227 HH2 TRP 30 HH TRP 30 -2.150 7.100 5.232 228 H ASP 31 H ASP 31 3.852 5.048 1.752 229 HA ASP 31 HA ASP 31 5.207 3.370 -0.045 230 1HB ASP 31 2HB ASP 31 4.282 5.850 -0.263 231 2HB ASP 31 1HB ASP 31 5.944 6.245 0.161 232 H PHE 32 H PHE 32 6.193 2.452 2.134 233 HA PHE 32 HA PHE 32 8.148 3.228 3.667 234 1HB PHE 32 2HB PHE 32 7.480 0.835 3.177 235 2HB PHE 32 1HB PHE 32 8.655 0.861 1.867 236 HD1 PHE 32 1HD PHE 32 8.286 1.244 5.531 237 HD2 PHE 32 2HD PHE 32 10.924 0.480 2.281 238 HE1 PHE 32 1HE PHE 32 10.061 0.632 7.120 239 HE2 PHE 32 2HE PHE 32 12.703 -0.134 3.863 240 HZ PHE 32 HZ PHE 32 12.274 -0.060 6.287 241 H THR 33 H THR 33 9.409 4.956 3.192 242 HA THR 33 HA THR 33 10.914 5.083 0.729 243 HB THR 33 HB THR 33 11.903 7.158 1.913 244 HG1 THR 33 1HG THR 33 11.068 7.730 3.775 245 1HG2 THR 33 1HG2 THR 33 9.448 8.243 1.830 246 2HG2 THR 33 2HG2 THR 33 9.186 6.790 0.867 247 3HG2 THR 33 3HG2 THR 33 10.442 7.938 0.406 248 H PHE 34 H PHE 34 13.338 6.031 1.311 249 HA PHE 34 HA PHE 34 14.632 4.397 3.319 250 1HB PHE 34 2HB PHE 34 16.064 3.969 0.854 251 2HB PHE 34 1HB PHE 34 15.450 2.785 2.001 252 HD1 PHE 34 1HD PHE 34 13.983 5.129 -0.515 253 HD2 PHE 34 2HD PHE 34 14.108 1.184 1.076 254 HE1 PHE 34 1HE PHE 34 12.295 4.418 -2.157 255 HE2 PHE 34 2HE PHE 34 12.422 0.465 -0.566 256 HZ PHE 34 HZ PHE 34 11.513 2.084 -2.185 257 H SER 35 H SER 35 15.320 6.293 0.381 258 HA SER 35 HA SER 35 16.980 8.088 1.976 259 1HB SER 35 2HB SER 35 18.955 7.646 0.943 260 2HB SER 35 1HB SER 35 18.210 6.081 0.616 261 HG SER 35 HG SER 35 18.425 6.567 -1.406
Contact the webmaster for help, if required. Friday, May 10, 2024 8:19:32 AM GMT (wattos1)