NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4819 | 1fv5 | 4644 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -11.128 12.567 0.344 2 2H GLY 1 2HT GLY 1 -10.473 13.058 1.824 3 3H GLY 1 3HT GLY 1 -10.991 11.462 1.618 4 1HA GLY 1 1HA GLY 1 -8.850 11.018 1.216 5 2HA GLY 1 2HA GLY 1 -9.233 11.648 -0.379 6 H SER 2 H SER 2 -7.492 12.760 -1.001 7 HA SER 2 HA SER 2 -5.917 14.396 -1.095 8 1HB SER 2 2HB SER 2 -8.062 15.525 0.413 9 2HB SER 2 1HB SER 2 -6.545 16.054 1.139 10 HG SER 2 HG SER 2 -7.456 17.327 -0.691 11 H LEU 3 H LEU 3 -6.464 14.514 2.410 12 HA LEU 3 HA LEU 3 -3.888 13.186 2.840 13 1HB LEU 3 2HB LEU 3 -3.346 14.912 4.580 14 2HB LEU 3 1HB LEU 3 -3.261 15.468 2.920 15 HG LEU 3 HG LEU 3 -5.836 15.910 4.314 16 1HD1 LEU 3 1HD1 LEU 3 -3.258 16.997 5.267 17 2HD1 LEU 3 2HD1 LEU 3 -4.767 16.720 6.136 18 3HD1 LEU 3 3HD1 LEU 3 -4.591 18.140 5.105 19 1HD2 LEU 3 1HD2 LEU 3 -4.816 16.660 1.931 20 2HD2 LEU 3 2HD2 LEU 3 -4.395 18.062 2.915 21 3HD2 LEU 3 3HD2 LEU 3 -6.077 17.548 2.787 22 H LEU 4 H LEU 4 -3.615 12.306 4.960 23 HA LEU 4 HA LEU 4 -4.308 11.138 6.783 24 1HB LEU 4 2HB LEU 4 -5.651 13.698 6.909 25 2HB LEU 4 1HB LEU 4 -6.628 12.446 7.650 26 HG LEU 4 HG LEU 4 -5.245 13.540 9.317 27 1HD1 LEU 4 1HD1 LEU 4 -4.872 10.687 8.646 28 2HD1 LEU 4 2HD1 LEU 4 -5.531 11.438 10.100 29 3HD1 LEU 4 3HD1 LEU 4 -3.785 11.369 9.856 30 1HD2 LEU 4 1HD2 LEU 4 -3.129 13.036 7.316 31 2HD2 LEU 4 2HD2 LEU 4 -2.678 12.851 9.011 32 3HD2 LEU 4 3HD2 LEU 4 -3.337 14.382 8.436 33 H LYS 5 H LYS 5 -5.378 10.496 4.137 34 HA LYS 5 HA LYS 5 -7.317 8.574 4.936 35 1HB LYS 5 2HB LYS 5 -8.241 11.126 3.805 36 2HB LYS 5 1HB LYS 5 -8.887 9.702 3.002 37 1HG LYS 5 2HG LYS 5 -8.993 9.509 5.903 38 2HG LYS 5 1HG LYS 5 -9.896 10.884 5.265 39 1HD LYS 5 2HD LYS 5 -11.507 9.260 5.152 40 2HD LYS 5 1HD LYS 5 -10.774 9.076 3.557 41 1HE LYS 5 2HE LYS 5 -9.885 7.061 4.053 42 2HE LYS 5 1HE LYS 5 -9.529 7.512 5.719 43 1HZ LYS 5 1HZ LYS 5 -11.372 5.768 5.169 44 2HZ LYS 5 2HZ LYS 5 -12.330 7.143 4.935 45 3HZ LYS 5 3HZ LYS 5 -11.587 6.875 6.430 46 HA PRO 6 HA PRO 6 -4.927 7.182 1.324 47 1HB PRO 6 2HB PRO 6 -5.357 4.530 1.756 48 2HB PRO 6 1HB PRO 6 -4.106 5.456 2.594 49 1HG PRO 6 2HG PRO 6 -6.837 4.675 3.539 50 2HG PRO 6 1HG PRO 6 -5.297 4.640 4.417 51 1HD PRO 6 2HD PRO 6 -7.103 6.620 4.751 52 2HD PRO 6 1HD PRO 6 -5.354 6.904 4.862 53 H ALA 7 H ALA 7 -5.616 6.779 -0.702 54 HA ALA 7 HA ALA 7 -8.166 5.458 -1.161 55 1HB ALA 7 1HB ALA 7 -8.560 7.492 -2.860 56 2HB ALA 7 2HB ALA 7 -7.709 8.347 -1.573 57 3HB ALA 7 3HB ALA 7 -9.197 7.471 -1.215 58 H ARG 8 H ARG 8 -5.378 4.830 -1.692 59 HA ARG 8 HA ARG 8 -5.611 4.411 -4.577 60 1HB ARG 8 2HB ARG 8 -3.299 5.714 -3.167 61 2HB ARG 8 1HB ARG 8 -3.064 4.848 -4.679 62 1HG ARG 8 2HG ARG 8 -5.026 7.102 -4.344 63 2HG ARG 8 1HG ARG 8 -3.365 7.320 -4.898 64 1HD ARG 8 2HD ARG 8 -4.462 5.235 -6.441 65 2HD ARG 8 1HD ARG 8 -5.680 6.508 -6.380 66 HE ARG 8 HE ARG 8 -3.148 6.593 -7.734 67 1HH1 ARG 8 1HH1 ARG 8 -5.677 8.510 -6.284 68 2HH1 ARG 8 2HH1 ARG 8 -5.318 9.921 -7.221 69 1HH2 ARG 8 1HH2 ARG 8 -2.673 8.448 -8.969 70 2HH2 ARG 8 2HH2 ARG 8 -3.613 9.886 -8.746 71 H PHE 9 H PHE 9 -5.361 2.335 -5.027 72 HA PHE 9 HA PHE 9 -3.827 0.663 -3.148 73 1HB PHE 9 2HB PHE 9 -5.254 -1.213 -4.249 74 2HB PHE 9 1HB PHE 9 -5.999 -0.172 -3.041 75 HD1 PHE 9 1HD PHE 9 -7.649 1.489 -3.676 76 HD2 PHE 9 2HD PHE 9 -5.893 -1.091 -6.568 77 HE1 PHE 9 1HE PHE 9 -9.417 2.089 -5.279 78 HE2 PHE 9 2HE PHE 9 -7.657 -0.497 -8.176 79 HZ PHE 9 HZ PHE 9 -9.422 1.096 -7.533 80 H MET 10 H MET 10 -1.966 1.458 -4.484 81 HA MET 10 HA MET 10 -1.216 -0.571 -6.347 82 1HB MET 10 2HB MET 10 -2.568 0.849 -7.833 83 2HB MET 10 1HB MET 10 -1.576 2.238 -7.409 84 1HG MET 10 2HG MET 10 0.393 0.940 -8.317 85 2HG MET 10 1HG MET 10 -0.784 -0.196 -8.974 86 1HE MET 10 1HE MET 10 -0.264 -0.227 -11.029 87 2HE MET 10 2HE MET 10 0.272 1.098 -12.062 88 3HE MET 10 3HE MET 10 -1.427 0.627 -12.043 89 H CYS 11 H CYS 11 0.862 -0.930 -5.967 90 HA CYS 11 HA CYS 11 2.456 1.152 -4.690 91 1HB CYS 11 2HB CYS 11 2.287 -1.355 -3.956 92 2HB CYS 11 1HB CYS 11 3.469 -1.616 -5.234 93 H LEU 12 H LEU 12 2.870 2.519 -6.436 94 HA LEU 12 HA LEU 12 3.766 1.803 -8.961 95 1HB LEU 12 2HB LEU 12 4.872 4.247 -7.646 96 2HB LEU 12 1HB LEU 12 4.329 4.025 -9.296 97 HG LEU 12 HG LEU 12 2.002 3.669 -7.895 98 1HD1 LEU 12 1HD1 LEU 12 2.472 4.357 -5.792 99 2HD1 LEU 12 2HD1 LEU 12 2.186 5.944 -6.507 100 3HD1 LEU 12 3HD1 LEU 12 3.835 5.353 -6.303 101 1HD2 LEU 12 1HD2 LEU 12 1.824 6.272 -8.481 102 2HD2 LEU 12 2HD2 LEU 12 1.747 5.004 -9.705 103 3HD2 LEU 12 3HD2 LEU 12 3.260 5.866 -9.422 104 HA PRO 13 HA PRO 13 8.319 2.232 -7.117 105 1HB PRO 13 2HB PRO 13 7.754 1.137 -4.418 106 2HB PRO 13 1HB PRO 13 8.844 2.441 -4.899 107 1HG PRO 13 2HG PRO 13 6.540 2.971 -3.669 108 2HG PRO 13 1HG PRO 13 7.145 4.015 -4.969 109 1HD PRO 13 2HD PRO 13 4.992 1.939 -5.049 110 2HD PRO 13 1HD PRO 13 5.054 3.530 -5.835 111 H CYS 14 H CYS 14 5.932 -0.218 -6.730 112 HA CYS 14 HA CYS 14 7.976 -2.311 -6.991 113 1HB CYS 14 2HB CYS 14 5.256 -2.289 -5.712 114 2HB CYS 14 1HB CYS 14 5.992 -3.794 -6.236 115 H GLY 15 H GLY 15 5.076 -0.885 -8.286 116 1HA GLY 15 2HA GLY 15 4.318 -0.981 -10.464 117 2HA GLY 15 1HA GLY 15 5.504 -2.231 -10.773 118 H ILE 16 H ILE 16 3.233 -2.399 -8.133 119 HA ILE 16 HA ILE 16 1.710 -4.459 -9.588 120 HB ILE 16 HB ILE 16 2.352 -4.622 -6.646 121 1HG1 ILE 16 2HG1 ILE 16 3.662 -6.227 -8.844 122 2HG1 ILE 16 1HG1 ILE 16 4.391 -4.783 -8.150 123 1HG2 ILE 16 1HG2 ILE 16 0.583 -6.010 -6.839 124 2HG2 ILE 16 2HG2 ILE 16 1.808 -7.132 -7.432 125 3HG2 ILE 16 3HG2 ILE 16 0.808 -6.234 -8.574 126 1HD1 ILE 16 1HD1 ILE 16 5.151 -7.023 -7.241 127 2HD1 ILE 16 2HD1 ILE 16 3.572 -7.119 -6.461 128 3HD1 ILE 16 3HD1 ILE 16 4.674 -5.802 -6.061 129 H ALA 17 H ALA 17 -0.265 -3.644 -9.877 130 HA ALA 17 HA ALA 17 -1.404 -1.806 -7.933 131 1HB ALA 17 1HB ALA 17 -1.527 -1.837 -10.624 132 2HB ALA 17 2HB ALA 17 -2.725 -1.049 -9.598 133 3HB ALA 17 3HB ALA 17 -3.035 -2.664 -10.234 134 H PHE 18 H PHE 18 -2.595 -2.496 -6.292 135 HA PHE 18 HA PHE 18 -3.635 -5.185 -6.239 136 1HB PHE 18 2HB PHE 18 -3.266 -2.953 -4.291 137 2HB PHE 18 1HB PHE 18 -4.426 -4.207 -3.914 138 HD1 PHE 18 1HD PHE 18 -3.546 -6.665 -4.149 139 HD2 PHE 18 2HD PHE 18 -1.069 -3.237 -3.681 140 HE1 PHE 18 1HE PHE 18 -1.721 -8.100 -3.332 141 HE2 PHE 18 2HE PHE 18 0.760 -4.664 -2.863 142 HZ PHE 18 HZ PHE 18 0.436 -7.099 -2.689 143 H SER 19 H SER 19 -5.913 -4.790 -4.634 144 HA SER 19 HA SER 19 -7.724 -3.031 -6.040 145 1HB SER 19 2HB SER 19 -7.433 -5.488 -7.158 146 2HB SER 19 1HB SER 19 -8.725 -5.813 -6.003 147 HG SER 19 HG SER 19 -9.918 -4.137 -6.945 148 H SER 20 H SER 20 -6.723 -3.463 -3.304 149 HA SER 20 HA SER 20 -9.206 -3.191 -1.947 150 1HB SER 20 2HB SER 20 -8.304 -5.821 -2.185 151 2HB SER 20 1HB SER 20 -7.829 -5.340 -0.557 152 HG SER 20 HG SER 20 -10.376 -5.594 -1.674 153 HA PRO 21 HA PRO 21 -6.525 -0.671 0.521 154 1HB PRO 21 2HB PRO 21 -8.075 -0.516 2.783 155 2HB PRO 21 1HB PRO 21 -8.341 0.454 1.331 156 1HG PRO 21 2HG PRO 21 -9.710 -2.055 2.210 157 2HG PRO 21 1HG PRO 21 -10.404 -0.597 1.478 158 1HD PRO 21 2HD PRO 21 -9.966 -2.827 0.043 159 2HD PRO 21 1HD PRO 21 -9.758 -1.209 -0.659 160 H SER 22 H SER 22 -8.132 -3.258 2.395 161 HA SER 22 HA SER 22 -6.145 -3.511 4.348 162 1HB SER 22 2HB SER 22 -8.404 -5.184 3.388 163 2HB SER 22 1HB SER 22 -7.147 -6.014 4.305 164 HG SER 22 HG SER 22 -8.886 -3.965 5.112 165 H THR 23 H THR 23 -6.385 -4.821 1.118 166 HA THR 23 HA THR 23 -4.370 -6.788 1.366 167 HB THR 23 HB THR 23 -5.272 -5.281 -1.098 168 HG1 THR 23 1HG THR 23 -6.179 -7.663 0.124 169 1HG2 THR 23 1HG2 THR 23 -4.468 -7.142 -2.386 170 2HG2 THR 23 2HG2 THR 23 -3.923 -7.963 -0.923 171 3HG2 THR 23 3HG2 THR 23 -3.144 -6.467 -1.437 172 H LEU 24 H LEU 24 -4.324 -3.371 0.542 173 HA LEU 24 HA LEU 24 -1.676 -3.158 -0.312 174 1HB LEU 24 2HB LEU 24 -2.913 -1.001 1.345 175 2HB LEU 24 1HB LEU 24 -1.917 -0.867 -0.084 176 HG LEU 24 HG LEU 24 -4.829 -1.604 0.035 177 1HD1 LEU 24 1HD1 LEU 24 -3.359 0.720 -1.199 178 2HD1 LEU 24 2HD1 LEU 24 -4.386 0.769 0.234 179 3HD1 LEU 24 3HD1 LEU 24 -5.090 0.412 -1.343 180 1HD2 LEU 24 1HD2 LEU 24 -4.785 -1.880 -2.350 181 2HD2 LEU 24 2HD2 LEU 24 -3.589 -2.965 -1.639 182 3HD2 LEU 24 3HD2 LEU 24 -3.072 -1.466 -2.411 183 H GLU 25 H GLU 25 -3.125 -2.953 2.887 184 HA GLU 25 HA GLU 25 -0.767 -2.375 4.313 185 1HB GLU 25 2HB GLU 25 -3.362 -2.476 4.997 186 2HB GLU 25 1HB GLU 25 -2.854 -4.037 5.624 187 1HG GLU 25 2HG GLU 25 -1.298 -1.580 6.296 188 2HG GLU 25 1HG GLU 25 -2.797 -1.942 7.149 189 H ALA 26 H ALA 26 -2.092 -5.319 3.055 190 HA ALA 26 HA ALA 26 -0.527 -7.098 4.562 191 1HB ALA 26 1HB ALA 26 -2.161 -8.367 3.696 192 2HB ALA 26 2HB ALA 26 -1.109 -8.485 2.285 193 3HB ALA 26 3HB ALA 26 -2.396 -7.280 2.327 194 H HIS 27 H HIS 27 -0.164 -5.452 1.507 195 HA HIS 27 HA HIS 27 2.231 -6.780 0.707 196 1HB HIS 27 2HB HIS 27 0.824 -5.714 -0.956 197 2HB HIS 27 1HB HIS 27 0.974 -4.162 -0.147 198 HD1 HIS 27 1HD HIS 27 2.974 -6.565 -2.275 199 HD2 HIS 27 2HD HIS 27 3.175 -2.685 -0.802 200 HE1 HIS 27 1HE HIS 27 4.911 -5.452 -3.463 201 H GLN 28 H GLN 28 1.501 -3.619 2.109 202 HA GLN 28 HA GLN 28 4.193 -2.811 2.452 203 1HB GLN 28 2HB GLN 28 1.555 -1.796 3.076 204 2HB GLN 28 1HB GLN 28 2.654 -1.526 4.420 205 1HG GLN 28 2HG GLN 28 4.034 -0.822 2.066 206 2HG GLN 28 1HG GLN 28 2.429 -0.103 1.966 207 1HE2 GLN 28 1HE2 GLN 28 5.428 -0.200 3.718 208 2HE2 GLN 28 2HE2 GLN 28 5.169 1.235 4.645 209 H ALA 29 H ALA 29 2.256 -5.081 4.089 210 HA ALA 29 HA ALA 29 3.393 -4.847 6.686 211 1HB ALA 29 1HB ALA 29 1.564 -6.710 5.311 212 2HB ALA 29 2HB ALA 29 1.417 -5.922 6.882 213 3HB ALA 29 3HB ALA 29 2.442 -7.346 6.701 214 H TYR 30 H TYR 30 3.825 -7.382 4.178 215 HA TYR 30 HA TYR 30 6.597 -7.658 5.077 216 1HB TYR 30 2HB TYR 30 4.474 -9.751 5.182 217 2HB TYR 30 1HB TYR 30 6.123 -10.234 4.814 218 HD1 TYR 30 1HD TYR 30 4.144 -8.312 7.316 219 HD2 TYR 30 2HD TYR 30 7.615 -10.649 6.554 220 HE1 TYR 30 1HE TYR 30 4.668 -8.304 9.718 221 HE2 TYR 30 2HE TYR 30 8.149 -10.649 8.954 222 HH TYR 30 HH TYR 30 6.701 -8.574 11.160 223 H TYR 31 H TYR 31 4.804 -6.963 2.533 224 HA TYR 31 HA TYR 31 6.209 -8.740 0.670 225 1HB TYR 31 2HB TYR 31 3.589 -8.006 0.719 226 2HB TYR 31 1HB TYR 31 4.245 -6.843 -0.428 227 HD1 TYR 31 1HD TYR 31 3.735 -10.427 0.258 228 HD2 TYR 31 2HD TYR 31 4.948 -7.531 -2.612 229 HE1 TYR 31 1HE TYR 31 3.652 -12.144 -1.498 230 HE2 TYR 31 2HE TYR 31 4.867 -9.240 -4.379 231 HH TYR 31 HH TYR 31 3.308 -11.844 -4.351 232 H CYS 32 H CYS 32 5.572 -5.297 1.264 233 HA CYS 32 HA CYS 32 7.332 -4.425 -0.819 234 1HB CYS 32 2HB CYS 32 5.313 -3.202 0.417 235 2HB CYS 32 1HB CYS 32 6.622 -2.610 1.434 236 H SER 33 H SER 33 9.436 -4.881 -0.658 237 HA SER 33 HA SER 33 11.526 -5.193 0.216 238 1HB SER 33 2HB SER 33 10.936 -2.689 1.795 239 2HB SER 33 1HB SER 33 12.485 -3.226 1.146 240 HG SER 33 HG SER 33 11.986 -2.061 -0.521 241 H HIS 34 H HIS 34 12.714 -4.581 2.622 242 HA HIS 34 HA HIS 34 11.306 -6.416 4.435 243 1HB HIS 34 2HB HIS 34 14.232 -5.648 4.364 244 2HB HIS 34 1HB HIS 34 13.505 -6.816 5.462 245 HD1 HIS 34 1HD HIS 34 13.677 -6.357 1.680 246 HD2 HIS 34 2HD HIS 34 13.848 -9.336 4.571 247 HE1 HIS 34 1HE HIS 34 14.077 -8.495 0.418 248 HE2 HIS 34 2HE HIS 34 14.266 -10.271 2.196 249 H ARG 35 H ARG 35 9.944 -4.629 5.148 250 HA ARG 35 HA ARG 35 11.148 -2.439 6.576 251 1HB ARG 35 2HB ARG 35 9.046 -2.069 5.436 252 2HB ARG 35 1HB ARG 35 8.282 -3.370 6.337 253 1HG ARG 35 2HG ARG 35 7.498 -1.571 7.490 254 2HG ARG 35 1HG ARG 35 8.970 -1.895 8.407 255 1HD ARG 35 2HD ARG 35 8.975 0.425 8.026 256 2HD ARG 35 1HD ARG 35 10.119 -0.241 6.861 257 HE ARG 35 HE ARG 35 7.813 -0.155 5.461 258 1HH1 ARG 35 1HH1 ARG 35 9.525 2.223 7.358 259 2HH1 ARG 35 2HH1 ARG 35 8.965 3.562 6.414 260 1HH2 ARG 35 1HH2 ARG 35 7.074 1.606 4.219 261 2HH2 ARG 35 2HH2 ARG 35 7.572 3.212 4.633 262 H ILE 36 H ILE 36 11.652 -2.348 8.675 263 HA ILE 36 HA ILE 36 10.774 -4.573 10.398 264 HB ILE 36 HB ILE 36 13.192 -4.584 10.003 265 1HG1 ILE 36 2HG1 ILE 36 12.640 -3.668 12.829 266 2HG1 ILE 36 1HG1 ILE 36 12.169 -5.253 12.223 267 1HG2 ILE 36 1HG2 ILE 36 14.274 -2.515 11.404 268 2HG2 ILE 36 2HG2 ILE 36 12.900 -1.737 10.619 269 3HG2 ILE 36 3HG2 ILE 36 14.112 -2.573 9.649 270 1HD1 ILE 36 1HD1 ILE 36 14.167 -6.005 12.785 271 2HD1 ILE 36 2HD1 ILE 36 14.687 -4.383 13.243 272 3HD1 ILE 36 3HD1 ILE 36 14.881 -4.934 11.579 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -8.871 10.321 1.604 2 2H GLY 1 2HT GLY 1 -10.318 10.990 2.168 3 3H GLY 1 3HT GLY 1 -8.842 11.516 2.801 4 1HA GLY 1 1HA GLY 1 -9.125 11.769 -0.074 5 2HA GLY 1 2HA GLY 1 -10.173 12.804 0.883 6 H SER 2 H SER 2 -7.595 13.104 -0.823 7 HA SER 2 HA SER 2 -5.825 14.525 -0.878 8 1HB SER 2 2HB SER 2 -7.245 15.675 1.531 9 2HB SER 2 1HB SER 2 -5.810 16.405 0.812 10 HG SER 2 HG SER 2 -7.023 17.204 -0.696 11 H LEU 3 H LEU 3 -6.143 14.451 2.654 12 HA LEU 3 HA LEU 3 -3.748 12.771 2.820 13 1HB LEU 3 2HB LEU 3 -2.855 14.285 4.603 14 2HB LEU 3 1HB LEU 3 -2.824 14.951 2.982 15 HG LEU 3 HG LEU 3 -5.242 15.628 4.506 16 1HD1 LEU 3 1HD1 LEU 3 -2.522 16.510 5.440 17 2HD1 LEU 3 2HD1 LEU 3 -3.805 15.748 6.382 18 3HD1 LEU 3 3HD1 LEU 3 -4.003 17.400 5.796 19 1HD2 LEU 3 1HD2 LEU 3 -4.069 16.521 2.247 20 2HD2 LEU 3 2HD2 LEU 3 -3.445 17.690 3.413 21 3HD2 LEU 3 3HD2 LEU 3 -5.186 17.478 3.220 22 H LEU 4 H LEU 4 -3.310 12.263 5.244 23 HA LEU 4 HA LEU 4 -3.999 11.198 7.131 24 1HB LEU 4 2HB LEU 4 -5.483 13.590 6.982 25 2HB LEU 4 1HB LEU 4 -6.617 12.343 7.465 26 HG LEU 4 HG LEU 4 -5.699 13.408 9.427 27 1HD1 LEU 4 1HD1 LEU 4 -5.093 10.580 8.835 28 2HD1 LEU 4 2HD1 LEU 4 -6.091 11.288 10.104 29 3HD1 LEU 4 3HD1 LEU 4 -4.336 11.268 10.272 30 1HD2 LEU 4 1HD2 LEU 4 -3.149 13.002 7.989 31 2HD2 LEU 4 2HD2 LEU 4 -3.113 12.802 9.741 32 3HD2 LEU 4 3HD2 LEU 4 -3.665 14.322 9.038 33 H LYS 5 H LYS 5 -4.668 10.095 4.538 34 HA LYS 5 HA LYS 5 -6.412 8.022 5.387 35 1HB LYS 5 2HB LYS 5 -7.517 10.218 3.714 36 2HB LYS 5 1HB LYS 5 -7.981 8.574 3.296 37 1HG LYS 5 2HG LYS 5 -8.300 8.713 6.053 38 2HG LYS 5 1HG LYS 5 -8.894 10.261 5.452 39 1HD LYS 5 2HD LYS 5 -10.771 9.298 4.749 40 2HD LYS 5 1HD LYS 5 -9.848 8.180 3.743 41 1HE LYS 5 2HE LYS 5 -10.033 6.491 5.226 42 2HE LYS 5 1HE LYS 5 -9.867 7.560 6.618 43 1HZ LYS 5 1HZ LYS 5 -12.291 6.844 5.111 44 2HZ LYS 5 2HZ LYS 5 -12.229 8.315 5.943 45 3HZ LYS 5 3HZ LYS 5 -12.036 6.860 6.783 46 HA PRO 6 HA PRO 6 -3.789 6.278 2.212 47 1HB PRO 6 2HB PRO 6 -4.529 3.702 2.502 48 2HB PRO 6 1HB PRO 6 -3.496 4.523 3.678 49 1HG PRO 6 2HG PRO 6 -6.438 3.978 3.795 50 2HG PRO 6 1HG PRO 6 -5.218 3.811 5.071 51 1HD PRO 6 2HD PRO 6 -6.887 5.955 4.875 52 2HD PRO 6 1HD PRO 6 -5.257 6.054 5.573 53 H ALA 7 H ALA 7 -5.348 7.541 0.744 54 HA ALA 7 HA ALA 7 -7.370 5.891 -0.542 55 1HB ALA 7 1HB ALA 7 -7.822 7.937 -1.878 56 2HB ALA 7 2HB ALA 7 -6.534 8.752 -0.991 57 3HB ALA 7 3HB ALA 7 -7.967 8.181 -0.137 58 H ARG 8 H ARG 8 -5.100 4.608 -0.953 59 HA ARG 8 HA ARG 8 -4.700 4.875 -3.810 60 1HB ARG 8 2HB ARG 8 -2.974 6.351 -2.728 61 2HB ARG 8 1HB ARG 8 -2.306 4.912 -1.971 62 1HG ARG 8 2HG ARG 8 -1.346 4.187 -3.877 63 2HG ARG 8 1HG ARG 8 -2.652 4.793 -4.897 64 1HD ARG 8 2HD ARG 8 -0.882 6.753 -3.521 65 2HD ARG 8 1HD ARG 8 -0.258 5.897 -4.930 66 HE ARG 8 HE ARG 8 -2.257 7.961 -4.898 67 1HH1 ARG 8 1HH1 ARG 8 -1.002 5.226 -6.664 68 2HH1 ARG 8 2HH1 ARG 8 -1.615 5.770 -8.189 69 1HH2 ARG 8 1HH2 ARG 8 -3.063 8.680 -6.903 70 2HH2 ARG 8 2HH2 ARG 8 -2.785 7.730 -8.325 71 H PHE 9 H PHE 9 -4.758 2.913 -4.671 72 HA PHE 9 HA PHE 9 -3.854 0.633 -3.039 73 1HB PHE 9 2HB PHE 9 -5.631 -0.639 -4.495 74 2HB PHE 9 1HB PHE 9 -6.132 0.244 -3.058 75 HD1 PHE 9 1HD PHE 9 -8.199 1.170 -3.377 76 HD2 PHE 9 2HD PHE 9 -5.387 1.281 -6.568 77 HE1 PHE 9 1HE PHE 9 -9.790 2.474 -4.728 78 HE2 PHE 9 2HE PHE 9 -6.971 2.584 -7.925 79 HZ PHE 9 HZ PHE 9 -9.176 3.183 -7.005 80 H MET 10 H MET 10 -1.948 1.666 -4.494 81 HA MET 10 HA MET 10 -1.376 -0.362 -6.432 82 1HB MET 10 2HB MET 10 -2.758 1.740 -7.471 83 2HB MET 10 1HB MET 10 -1.102 2.291 -7.690 84 1HG MET 10 2HG MET 10 -0.942 -0.267 -8.590 85 2HG MET 10 1HG MET 10 -2.584 0.172 -9.055 86 1HE MET 10 1HE MET 10 -2.934 0.573 -11.214 87 2HE MET 10 2HE MET 10 -2.107 1.694 -12.297 88 3HE MET 10 3HE MET 10 -3.064 2.312 -10.951 89 H CYS 11 H CYS 11 0.644 -0.855 -5.890 90 HA CYS 11 HA CYS 11 2.406 1.156 -4.769 91 1HB CYS 11 2HB CYS 11 2.145 -1.389 -4.100 92 2HB CYS 11 1HB CYS 11 3.336 -1.618 -5.376 93 H LEU 12 H LEU 12 2.734 2.509 -6.568 94 HA LEU 12 HA LEU 12 3.528 1.757 -9.114 95 1HB LEU 12 2HB LEU 12 4.720 4.197 -7.869 96 2HB LEU 12 1HB LEU 12 4.109 3.965 -9.494 97 HG LEU 12 HG LEU 12 1.825 3.669 -8.039 98 1HD1 LEU 12 1HD1 LEU 12 2.172 5.947 -6.622 99 2HD1 LEU 12 2HD1 LEU 12 3.747 5.181 -6.411 100 3HD1 LEU 12 3HD1 LEU 12 2.279 4.324 -5.939 101 1HD2 LEU 12 1HD2 LEU 12 3.110 5.869 -9.538 102 2HD2 LEU 12 2HD2 LEU 12 1.709 6.292 -8.555 103 3HD2 LEU 12 3HD2 LEU 12 1.567 5.058 -9.808 104 HA PRO 13 HA PRO 13 8.158 2.149 -7.457 105 1HB PRO 13 2HB PRO 13 7.678 1.085 -4.728 106 2HB PRO 13 1HB PRO 13 8.776 2.362 -5.262 107 1HG PRO 13 2HG PRO 13 6.532 2.954 -3.953 108 2HG PRO 13 1HG PRO 13 7.105 3.969 -5.290 109 1HD PRO 13 2HD PRO 13 4.911 1.935 -5.256 110 2HD PRO 13 1HD PRO 13 4.974 3.513 -6.067 111 H CYS 14 H CYS 14 5.758 -0.268 -6.946 112 HA CYS 14 HA CYS 14 7.763 -2.389 -7.275 113 1HB CYS 14 2HB CYS 14 5.096 -2.326 -5.889 114 2HB CYS 14 1HB CYS 14 5.808 -3.842 -6.414 115 H GLY 15 H GLY 15 4.834 -0.934 -8.464 116 1HA GLY 15 2HA GLY 15 3.941 -1.059 -10.583 117 2HA GLY 15 1HA GLY 15 5.136 -2.281 -10.961 118 H ILE 16 H ILE 16 3.071 -2.560 -8.181 119 HA ILE 16 HA ILE 16 1.501 -4.636 -9.566 120 HB ILE 16 HB ILE 16 2.313 -4.770 -6.664 121 1HG1 ILE 16 2HG1 ILE 16 3.502 -6.402 -8.907 122 2HG1 ILE 16 1HG1 ILE 16 4.242 -4.913 -8.331 123 1HG2 ILE 16 1HG2 ILE 16 0.246 -5.988 -7.789 124 2HG2 ILE 16 2HG2 ILE 16 1.238 -6.774 -6.560 125 3HG2 ILE 16 3HG2 ILE 16 1.502 -7.131 -8.268 126 1HD1 ILE 16 1HD1 ILE 16 5.162 -5.951 -6.605 127 2HD1 ILE 16 2HD1 ILE 16 4.664 -7.466 -7.358 128 3HD1 ILE 16 3HD1 ILE 16 3.633 -6.700 -6.150 129 H ALA 17 H ALA 17 -0.468 -3.767 -9.797 130 HA ALA 17 HA ALA 17 -1.561 -1.976 -7.803 131 1HB ALA 17 1HB ALA 17 -1.873 -1.561 -10.218 132 2HB ALA 17 2HB ALA 17 -3.398 -1.670 -9.339 133 3HB ALA 17 3HB ALA 17 -2.846 -3.028 -10.320 134 H PHE 18 H PHE 18 -2.608 -2.686 -6.071 135 HA PHE 18 HA PHE 18 -3.617 -5.386 -5.949 136 1HB PHE 18 2HB PHE 18 -3.086 -3.175 -4.029 137 2HB PHE 18 1HB PHE 18 -4.275 -4.381 -3.578 138 HD1 PHE 18 1HD PHE 18 -3.596 -6.769 -3.385 139 HD2 PHE 18 2HD PHE 18 -0.777 -3.643 -4.008 140 HE1 PHE 18 1HE PHE 18 -1.783 -8.266 -2.661 141 HE2 PHE 18 2HE PHE 18 1.042 -5.134 -3.285 142 HZ PHE 18 HZ PHE 18 0.542 -7.448 -2.612 143 H SER 19 H SER 19 -4.902 -2.091 -5.622 144 HA SER 19 HA SER 19 -6.996 -1.230 -5.824 145 1HB SER 19 2HB SER 19 -7.517 -3.682 -7.520 146 2HB SER 19 1HB SER 19 -8.431 -2.174 -7.545 147 HG SER 19 HG SER 19 -6.893 -2.277 -9.237 148 H SER 20 H SER 20 -6.551 -2.741 -3.507 149 HA SER 20 HA SER 20 -9.236 -3.237 -2.713 150 1HB SER 20 2HB SER 20 -7.428 -5.543 -3.284 151 2HB SER 20 1HB SER 20 -8.516 -5.654 -1.900 152 HG SER 20 HG SER 20 -10.193 -4.988 -3.491 153 HA PRO 21 HA PRO 21 -7.029 -1.470 0.823 154 1HB PRO 21 2HB PRO 21 -9.661 -2.201 2.036 155 2HB PRO 21 1HB PRO 21 -8.738 -0.699 2.174 156 1HG PRO 21 2HG PRO 21 -10.871 -0.833 0.590 157 2HG PRO 21 1HG PRO 21 -9.427 0.070 0.096 158 1HD PRO 21 2HD PRO 21 -10.419 -2.578 -0.841 159 2HD PRO 21 1HD PRO 21 -9.542 -1.319 -1.732 160 H SER 22 H SER 22 -6.648 -2.232 3.099 161 HA SER 22 HA SER 22 -6.022 -3.818 4.615 162 1HB SER 22 2HB SER 22 -8.429 -4.636 4.185 163 2HB SER 22 1HB SER 22 -7.693 -5.854 3.143 164 HG SER 22 HG SER 22 -8.050 -6.125 5.644 165 H THR 23 H THR 23 -6.417 -5.596 1.535 166 HA THR 23 HA THR 23 -4.156 -7.193 1.796 167 HB THR 23 HB THR 23 -4.928 -6.200 -0.915 168 HG1 THR 23 1HG THR 23 -6.944 -6.494 -0.375 169 1HG2 THR 23 1HG2 THR 23 -5.077 -9.025 -0.570 170 2HG2 THR 23 2HG2 THR 23 -3.547 -8.433 0.077 171 3HG2 THR 23 3HG2 THR 23 -3.994 -8.080 -1.592 172 H LEU 24 H LEU 24 -4.500 -3.882 0.810 173 HA LEU 24 HA LEU 24 -1.989 -3.502 -0.396 174 1HB LEU 24 2HB LEU 24 -3.320 -1.354 1.208 175 2HB LEU 24 1HB LEU 24 -2.454 -1.226 -0.306 176 HG LEU 24 HG LEU 24 -5.208 -2.394 0.044 177 1HD1 LEU 24 1HD1 LEU 24 -4.296 0.211 -1.165 178 2HD1 LEU 24 2HD1 LEU 24 -5.197 0.011 0.338 179 3HD1 LEU 24 3HD1 LEU 24 -5.945 -0.415 -1.202 180 1HD2 LEU 24 1HD2 LEU 24 -4.963 -1.965 -2.591 181 2HD2 LEU 24 2HD2 LEU 24 -4.573 -3.504 -1.823 182 3HD2 LEU 24 3HD2 LEU 24 -3.288 -2.357 -2.201 183 H GLU 25 H GLU 25 -3.166 -3.161 2.899 184 HA GLU 25 HA GLU 25 -0.723 -2.284 4.029 185 1HB GLU 25 2HB GLU 25 -3.238 -2.413 4.957 186 2HB GLU 25 1HB GLU 25 -2.607 -3.878 5.692 187 1HG GLU 25 2HG GLU 25 -1.146 -2.734 7.043 188 2HG GLU 25 1HG GLU 25 -1.069 -1.342 5.964 189 H ALA 26 H ALA 26 -1.970 -5.388 3.153 190 HA ALA 26 HA ALA 26 -0.283 -6.982 4.713 191 1HB ALA 26 1HB ALA 26 -2.162 -7.385 2.522 192 2HB ALA 26 2HB ALA 26 -1.830 -8.398 3.926 193 3HB ALA 26 3HB ALA 26 -0.803 -8.509 2.497 194 H HIS 27 H HIS 27 -0.038 -5.586 1.510 195 HA HIS 27 HA HIS 27 2.429 -6.807 0.801 196 1HB HIS 27 2HB HIS 27 0.972 -5.935 -0.927 197 2HB HIS 27 1HB HIS 27 1.021 -4.328 -0.219 198 HD1 HIS 27 1HD HIS 27 3.173 -6.730 -2.191 199 HD2 HIS 27 2HD HIS 27 3.131 -2.761 -0.962 200 HE1 HIS 27 1HE HIS 27 5.044 -5.579 -3.443 201 H GLN 28 H GLN 28 1.542 -3.594 1.972 202 HA GLN 28 HA GLN 28 4.198 -2.645 2.251 203 1HB GLN 28 2HB GLN 28 1.501 -1.704 2.819 204 2HB GLN 28 1HB GLN 28 2.641 -1.215 4.064 205 1HG GLN 28 2HG GLN 28 4.103 -0.465 2.057 206 2HG GLN 28 1HG GLN 28 2.582 -0.510 1.167 207 1HE2 GLN 28 1HE2 GLN 28 1.588 1.359 1.070 208 2HE2 GLN 28 2HE2 GLN 28 1.642 2.613 2.257 209 H ALA 29 H ALA 29 2.392 -4.885 4.036 210 HA ALA 29 HA ALA 29 3.483 -4.352 6.621 211 1HB ALA 29 1HB ALA 29 1.714 -6.386 5.421 212 2HB ALA 29 2HB ALA 29 1.543 -5.467 6.916 213 3HB ALA 29 3HB ALA 29 2.610 -6.869 6.861 214 H TYR 30 H TYR 30 4.018 -7.054 4.316 215 HA TYR 30 HA TYR 30 6.784 -7.183 5.272 216 1HB TYR 30 2HB TYR 30 4.715 -9.309 5.529 217 2HB TYR 30 1HB TYR 30 6.363 -9.797 5.160 218 HD1 TYR 30 1HD TYR 30 4.169 -8.275 7.670 219 HD2 TYR 30 2HD TYR 30 8.134 -9.545 6.796 220 HE1 TYR 30 1HE TYR 30 4.740 -8.110 10.055 221 HE2 TYR 30 2HE TYR 30 8.717 -9.383 9.180 222 HH TYR 30 HH TYR 30 6.507 -9.216 11.607 223 H TYR 31 H TYR 31 4.989 -6.755 2.653 224 HA TYR 31 HA TYR 31 6.505 -8.600 0.951 225 1HB TYR 31 2HB TYR 31 3.845 -7.896 0.906 226 2HB TYR 31 1HB TYR 31 4.525 -6.909 -0.385 227 HD1 TYR 31 1HD TYR 31 3.340 -10.137 0.540 228 HD2 TYR 31 2HD TYR 31 5.935 -8.124 -2.164 229 HE1 TYR 31 1HE TYR 31 3.294 -12.092 -0.948 230 HE2 TYR 31 2HE TYR 31 5.895 -10.073 -3.663 231 HH TYR 31 HH TYR 31 4.564 -13.100 -2.710 232 H CYS 32 H CYS 32 5.699 -5.154 1.255 233 HA CYS 32 HA CYS 32 7.482 -4.371 -0.846 234 1HB CYS 32 2HB CYS 32 5.372 -3.148 0.225 235 2HB CYS 32 1HB CYS 32 6.616 -2.419 1.234 236 H SER 33 H SER 33 9.484 -5.273 -0.277 237 HA SER 33 HA SER 33 11.625 -5.077 0.489 238 1HB SER 33 2HB SER 33 10.773 -2.536 0.751 239 2HB SER 33 1HB SER 33 11.037 -2.928 2.451 240 HG SER 33 HG SER 33 12.947 -3.278 0.380 241 H HIS 34 H HIS 34 12.690 -4.683 2.956 242 HA HIS 34 HA HIS 34 11.282 -6.694 4.582 243 1HB HIS 34 2HB HIS 34 14.228 -6.056 4.366 244 2HB HIS 34 1HB HIS 34 13.551 -7.148 5.569 245 HD1 HIS 34 1HD HIS 34 14.381 -6.898 1.944 246 HD2 HIS 34 2HD HIS 34 12.706 -9.642 4.577 247 HE1 HIS 34 1HE HIS 34 14.320 -9.078 0.693 248 HE2 HIS 34 2HE HIS 34 13.394 -10.744 2.341 249 H ARG 35 H ARG 35 10.000 -5.002 5.551 250 HA ARG 35 HA ARG 35 11.295 -2.949 7.093 251 1HB ARG 35 2HB ARG 35 9.140 -2.472 6.113 252 2HB ARG 35 1HB ARG 35 8.415 -3.848 6.931 253 1HG ARG 35 2HG ARG 35 8.618 -2.791 9.055 254 2HG ARG 35 1HG ARG 35 9.602 -1.493 8.377 255 1HD ARG 35 2HD ARG 35 6.825 -2.001 7.375 256 2HD ARG 35 1HD ARG 35 7.097 -1.058 8.838 257 HE ARG 35 HE ARG 35 8.040 0.639 7.561 258 1HH1 ARG 35 1HH1 ARG 35 7.249 -2.114 5.556 259 2HH1 ARG 35 2HH1 ARG 35 7.413 -1.234 4.074 260 1HH2 ARG 35 1HH2 ARG 35 8.261 1.787 5.612 261 2HH2 ARG 35 2HH2 ARG 35 7.989 0.977 4.104 262 H ILE 36 H ILE 36 11.962 -3.065 9.136 263 HA ILE 36 HA ILE 36 10.850 -5.127 10.898 264 HB ILE 36 HB ILE 36 12.931 -6.052 9.978 265 1HG1 ILE 36 2HG1 ILE 36 13.363 -5.246 12.858 266 2HG1 ILE 36 1HG1 ILE 36 12.180 -6.455 12.366 267 1HG2 ILE 36 1HG2 ILE 36 14.656 -4.138 11.402 268 2HG2 ILE 36 2HG2 ILE 36 13.872 -3.527 9.946 269 3HG2 ILE 36 3HG2 ILE 36 14.898 -4.960 9.861 270 1HD1 ILE 36 1HD1 ILE 36 13.735 -8.024 12.222 271 2HD1 ILE 36 2HD1 ILE 36 14.839 -6.886 12.994 272 3HD1 ILE 36 3HD1 ILE 36 14.778 -7.001 11.235 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -8.456 10.591 2.123 2 2H GLY 1 2HT GLY 1 -9.991 11.267 2.336 3 3H GLY 1 3HT GLY 1 -8.636 12.015 3.019 4 1HA GLY 1 1HA GLY 1 -8.647 11.617 0.123 5 2HA GLY 1 2HA GLY 1 -9.701 12.861 0.776 6 H SER 2 H SER 2 -7.266 13.031 -0.910 7 HA SER 2 HA SER 2 -5.482 14.415 -1.164 8 1HB SER 2 2HB SER 2 -6.709 15.710 1.277 9 2HB SER 2 1HB SER 2 -5.321 16.379 0.418 10 HG SER 2 HG SER 2 -7.966 16.020 -0.509 11 H LEU 3 H LEU 3 -5.546 14.529 2.381 12 HA LEU 3 HA LEU 3 -3.136 12.855 2.446 13 1HB LEU 3 2HB LEU 3 -2.196 14.421 4.174 14 2HB LEU 3 1HB LEU 3 -2.234 15.041 2.534 15 HG LEU 3 HG LEU 3 -4.546 15.706 4.271 16 1HD1 LEU 3 1HD1 LEU 3 -1.757 16.479 4.856 17 2HD1 LEU 3 2HD1 LEU 3 -3.152 16.352 5.928 18 3HD1 LEU 3 3HD1 LEU 3 -2.959 17.768 4.895 19 1HD2 LEU 3 1HD2 LEU 3 -3.834 16.403 1.777 20 2HD2 LEU 3 2HD2 LEU 3 -3.080 17.713 2.685 21 3HD2 LEU 3 3HD2 LEU 3 -4.812 17.424 2.831 22 H LEU 4 H LEU 4 -2.558 12.656 4.995 23 HA LEU 4 HA LEU 4 -3.136 11.765 7.006 24 1HB LEU 4 2HB LEU 4 -5.032 13.745 6.564 25 2HB LEU 4 1HB LEU 4 -5.990 12.332 6.963 26 HG LEU 4 HG LEU 4 -5.480 13.726 8.932 27 1HD1 LEU 4 1HD1 LEU 4 -5.527 11.047 8.787 28 2HD1 LEU 4 2HD1 LEU 4 -5.331 11.936 10.297 29 3HD1 LEU 4 3HD1 LEU 4 -3.918 11.283 9.469 30 1HD2 LEU 4 1HD2 LEU 4 -3.051 14.119 7.848 31 2HD2 LEU 4 2HD2 LEU 4 -2.667 12.841 9.001 32 3HD2 LEU 4 3HD2 LEU 4 -3.402 14.342 9.562 33 H LYS 5 H LYS 5 -6.200 11.376 5.229 34 HA LYS 5 HA LYS 5 -6.103 8.515 5.802 35 1HB LYS 5 2HB LYS 5 -8.295 10.322 4.789 36 2HB LYS 5 1HB LYS 5 -8.468 8.575 4.889 37 1HG LYS 5 2HG LYS 5 -7.881 8.811 7.348 38 2HG LYS 5 1HG LYS 5 -8.130 10.544 7.127 39 1HD LYS 5 2HD LYS 5 -10.260 10.053 7.676 40 2HD LYS 5 1HD LYS 5 -10.378 9.564 5.985 41 1HE LYS 5 2HE LYS 5 -9.513 7.269 6.919 42 2HE LYS 5 1HE LYS 5 -10.155 7.887 8.440 43 1HZ LYS 5 1HZ LYS 5 -11.902 8.109 6.128 44 2HZ LYS 5 2HZ LYS 5 -12.269 7.698 7.727 45 3HZ LYS 5 3HZ LYS 5 -11.612 6.537 6.686 46 HA PRO 6 HA PRO 6 -4.678 7.343 1.778 47 1HB PRO 6 2HB PRO 6 -6.608 5.095 2.048 48 2HB PRO 6 1HB PRO 6 -4.875 5.055 1.707 49 1HG PRO 6 2HG PRO 6 -5.805 4.380 4.109 50 2HG PRO 6 1HG PRO 6 -4.297 5.297 3.939 51 1HD PRO 6 2HD PRO 6 -7.012 6.244 4.749 52 2HD PRO 6 1HD PRO 6 -5.416 6.745 5.345 53 H ALA 7 H ALA 7 -5.957 6.111 -0.224 54 HA ALA 7 HA ALA 7 -8.590 7.135 -0.699 55 1HB ALA 7 1HB ALA 7 -7.562 8.378 -2.832 56 2HB ALA 7 2HB ALA 7 -6.230 8.608 -1.700 57 3HB ALA 7 3HB ALA 7 -7.844 9.190 -1.292 58 H ARG 8 H ARG 8 -5.798 6.522 -2.828 59 HA ARG 8 HA ARG 8 -7.391 4.470 -4.193 60 1HB ARG 8 2HB ARG 8 -5.717 4.708 -6.018 61 2HB ARG 8 1HB ARG 8 -6.587 6.194 -5.667 62 1HG ARG 8 2HG ARG 8 -4.721 7.284 -5.140 63 2HG ARG 8 1HG ARG 8 -4.130 5.959 -4.136 64 1HD ARG 8 2HD ARG 8 -2.645 6.441 -6.043 65 2HD ARG 8 1HD ARG 8 -3.296 4.802 -6.086 66 HE ARG 8 HE ARG 8 -4.999 6.382 -7.597 67 1HH1 ARG 8 1HH1 ARG 8 -1.656 5.380 -7.690 68 2HH1 ARG 8 2HH1 ARG 8 -1.551 5.460 -9.416 69 1HH2 ARG 8 1HH2 ARG 8 -4.861 6.486 -9.867 70 2HH2 ARG 8 2HH2 ARG 8 -3.370 6.088 -10.653 71 H PHE 9 H PHE 9 -5.825 2.756 -5.263 72 HA PHE 9 HA PHE 9 -4.100 1.713 -3.113 73 1HB PHE 9 2HB PHE 9 -5.108 -0.298 -4.983 74 2HB PHE 9 1HB PHE 9 -5.103 -0.301 -3.225 75 HD1 PHE 9 1HD PHE 9 -6.952 0.830 -1.994 76 HD2 PHE 9 2HD PHE 9 -7.049 0.230 -6.206 77 HE1 PHE 9 1HE PHE 9 -9.384 1.203 -1.987 78 HE2 PHE 9 2HE PHE 9 -9.481 0.601 -6.207 79 HZ PHE 9 HZ PHE 9 -10.652 1.088 -4.095 80 H MET 10 H MET 10 -3.120 -0.484 -4.669 81 HA MET 10 HA MET 10 -1.562 -1.059 -6.228 82 1HB MET 10 2HB MET 10 -2.979 0.253 -7.830 83 2HB MET 10 1HB MET 10 -1.990 1.661 -7.474 84 1HG MET 10 2HG MET 10 -0.370 -0.619 -8.197 85 2HG MET 10 1HG MET 10 -1.552 -0.231 -9.446 86 1HE MET 10 1HE MET 10 0.525 -0.050 -10.891 87 2HE MET 10 2HE MET 10 1.245 1.526 -11.218 88 3HE MET 10 3HE MET 10 -0.482 1.275 -11.473 89 H CYS 11 H CYS 11 0.582 -1.098 -6.019 90 HA CYS 11 HA CYS 11 1.843 1.044 -4.482 91 1HB CYS 11 2HB CYS 11 2.012 -1.540 -4.017 92 2HB CYS 11 1HB CYS 11 3.253 -1.483 -5.263 93 H LEU 12 H LEU 12 2.111 2.622 -6.059 94 HA LEU 12 HA LEU 12 3.029 2.344 -8.638 95 1HB LEU 12 2HB LEU 12 4.008 4.653 -7.015 96 2HB LEU 12 1HB LEU 12 3.433 4.622 -8.669 97 HG LEU 12 HG LEU 12 1.171 3.925 -7.318 98 1HD1 LEU 12 1HD1 LEU 12 1.319 5.999 -5.584 99 2HD1 LEU 12 2HD1 LEU 12 2.947 5.333 -5.453 100 3HD1 LEU 12 3HD1 LEU 12 1.548 4.308 -5.138 101 1HD2 LEU 12 1HD2 LEU 12 2.275 6.431 -8.442 102 2HD2 LEU 12 2HD2 LEU 12 0.814 6.562 -7.463 103 3HD2 LEU 12 3HD2 LEU 12 0.829 5.525 -8.890 104 HA PRO 13 HA PRO 13 7.570 2.551 -7.182 105 1HB PRO 13 2HB PRO 13 8.190 2.510 -4.583 106 2HB PRO 13 1HB PRO 13 7.663 4.001 -5.374 107 1HG PRO 13 2HG PRO 13 6.117 2.133 -3.625 108 2HG PRO 13 1HG PRO 13 6.099 3.904 -3.665 109 1HD PRO 13 2HD PRO 13 4.220 2.277 -4.878 110 2HD PRO 13 1HD PRO 13 4.549 3.959 -5.336 111 H CYS 14 H CYS 14 6.161 0.253 -7.732 112 HA CYS 14 HA CYS 14 7.875 -1.751 -6.576 113 1HB CYS 14 2HB CYS 14 5.199 -1.344 -5.577 114 2HB CYS 14 1HB CYS 14 5.345 -2.937 -6.308 115 H GLY 15 H GLY 15 4.977 -1.170 -8.533 116 1HA GLY 15 2HA GLY 15 5.156 -1.606 -10.929 117 2HA GLY 15 1HA GLY 15 6.046 -3.050 -10.500 118 H ILE 16 H ILE 16 4.143 -3.566 -8.241 119 HA ILE 16 HA ILE 16 2.226 -5.068 -9.803 120 HB ILE 16 HB ILE 16 2.446 -4.924 -6.796 121 1HG1 ILE 16 2HG1 ILE 16 3.528 -7.277 -8.206 122 2HG1 ILE 16 1HG1 ILE 16 4.444 -5.793 -8.444 123 1HG2 ILE 16 1HG2 ILE 16 1.007 -6.711 -8.716 124 2HG2 ILE 16 2HG2 ILE 16 0.397 -5.896 -7.277 125 3HG2 ILE 16 3HG2 ILE 16 1.463 -7.291 -7.114 126 1HD1 ILE 16 1HD1 ILE 16 5.217 -7.222 -6.557 127 2HD1 ILE 16 2HD1 ILE 16 3.694 -6.868 -5.742 128 3HD1 ILE 16 3HD1 ILE 16 4.822 -5.564 -6.111 129 H ALA 17 H ALA 17 -0.074 -5.044 -9.344 130 HA ALA 17 HA ALA 17 -1.049 -2.474 -8.293 131 1HB ALA 17 1HB ALA 17 -0.981 -2.926 -10.931 132 2HB ALA 17 2HB ALA 17 -2.235 -1.962 -10.152 133 3HB ALA 17 3HB ALA 17 -2.543 -3.651 -10.555 134 H PHE 18 H PHE 18 -2.262 -2.901 -6.571 135 HA PHE 18 HA PHE 18 -3.565 -5.448 -6.246 136 1HB PHE 18 2HB PHE 18 -3.076 -3.033 -4.548 137 2HB PHE 18 1HB PHE 18 -4.289 -4.196 -4.066 138 HD1 PHE 18 1HD PHE 18 -3.657 -6.485 -3.455 139 HD2 PHE 18 2HD PHE 18 -0.745 -3.543 -4.442 140 HE1 PHE 18 1HE PHE 18 -1.902 -7.891 -2.454 141 HE2 PHE 18 2HE PHE 18 1.014 -4.943 -3.444 142 HZ PHE 18 HZ PHE 18 0.437 -7.120 -2.449 143 H SER 19 H SER 19 -5.823 -4.815 -4.833 144 HA SER 19 HA SER 19 -7.455 -2.973 -6.346 145 1HB SER 19 2HB SER 19 -7.448 -5.095 -7.700 146 2HB SER 19 1HB SER 19 -8.203 -5.905 -6.327 147 HG SER 19 HG SER 19 -9.663 -5.071 -7.989 148 H SER 20 H SER 20 -6.562 -3.394 -3.577 149 HA SER 20 HA SER 20 -9.053 -2.912 -2.291 150 1HB SER 20 2HB SER 20 -7.889 -5.610 -2.167 151 2HB SER 20 1HB SER 20 -8.277 -4.917 -0.591 152 HG SER 20 HG SER 20 -10.398 -4.477 -1.482 153 HA PRO 21 HA PRO 21 -6.251 -0.562 0.199 154 1HB PRO 21 2HB PRO 21 -7.831 -0.149 2.385 155 2HB PRO 21 1HB PRO 21 -8.023 0.727 0.864 156 1HG PRO 21 2HG PRO 21 -9.544 -1.635 1.896 157 2HG PRO 21 1HG PRO 21 -10.150 -0.187 1.069 158 1HD PRO 21 2HD PRO 21 -9.814 -2.537 -0.213 159 2HD PRO 21 1HD PRO 21 -9.557 -0.977 -1.019 160 H SER 22 H SER 22 -8.107 -2.990 2.051 161 HA SER 22 HA SER 22 -6.278 -3.289 4.140 162 1HB SER 22 2HB SER 22 -7.474 -5.266 4.732 163 2HB SER 22 1HB SER 22 -8.662 -4.170 4.027 164 HG SER 22 HG SER 22 -8.510 -5.336 2.092 165 H THR 23 H THR 23 -6.410 -4.795 0.966 166 HA THR 23 HA THR 23 -4.501 -6.804 1.410 167 HB THR 23 HB THR 23 -4.743 -5.435 -1.245 168 HG1 THR 23 1HG THR 23 -6.678 -7.204 -0.168 169 1HG2 THR 23 1HG2 THR 23 -4.642 -7.661 -2.144 170 2HG2 THR 23 2HG2 THR 23 -4.684 -8.353 -0.523 171 3HG2 THR 23 3HG2 THR 23 -3.289 -7.407 -1.043 172 H LEU 24 H LEU 24 -4.184 -3.452 0.370 173 HA LEU 24 HA LEU 24 -1.466 -3.431 -0.229 174 1HB LEU 24 2HB LEU 24 -2.708 -1.105 1.169 175 2HB LEU 24 1HB LEU 24 -1.597 -1.125 -0.178 176 HG LEU 24 HG LEU 24 -4.553 -1.646 -0.230 177 1HD1 LEU 24 1HD1 LEU 24 -3.126 0.244 -2.025 178 2HD1 LEU 24 2HD1 LEU 24 -3.361 0.703 -0.338 179 3HD1 LEU 24 3HD1 LEU 24 -4.755 0.330 -1.352 180 1HD2 LEU 24 1HD2 LEU 24 -3.837 -3.268 -1.720 181 2HD2 LEU 24 2HD2 LEU 24 -2.442 -2.322 -2.239 182 3HD2 LEU 24 3HD2 LEU 24 -4.061 -1.870 -2.770 183 H GLU 25 H GLU 25 -3.164 -2.941 2.813 184 HA GLU 25 HA GLU 25 -0.979 -2.307 4.425 185 1HB GLU 25 2HB GLU 25 -3.617 -2.502 4.879 186 2HB GLU 25 1HB GLU 25 -3.105 -4.022 5.598 187 1HG GLU 25 2HG GLU 25 -1.445 -1.786 6.418 188 2HG GLU 25 1HG GLU 25 -3.145 -1.558 6.825 189 H ALA 26 H ALA 26 -2.110 -5.367 3.230 190 HA ALA 26 HA ALA 26 -0.498 -6.969 4.897 191 1HB ALA 26 1HB ALA 26 -2.156 -8.300 4.127 192 2HB ALA 26 2HB ALA 26 -1.006 -8.606 2.825 193 3HB ALA 26 3HB ALA 26 -2.291 -7.418 2.606 194 H HIS 27 H HIS 27 -0.190 -5.484 1.772 195 HA HIS 27 HA HIS 27 2.255 -6.775 1.037 196 1HB HIS 27 2HB HIS 27 0.821 -5.913 -0.701 197 2HB HIS 27 1HB HIS 27 0.825 -4.312 0.017 198 HD1 HIS 27 1HD HIS 27 3.038 -6.638 -1.976 199 HD2 HIS 27 2HD HIS 27 2.902 -2.690 -0.690 200 HE1 HIS 27 1HE HIS 27 4.871 -5.420 -3.224 201 H GLN 28 H GLN 28 1.361 -3.579 2.230 202 HA GLN 28 HA GLN 28 3.988 -2.575 2.500 203 1HB GLN 28 2HB GLN 28 1.287 -1.731 3.145 204 2HB GLN 28 1HB GLN 28 2.406 -1.298 4.428 205 1HG GLN 28 2HG GLN 28 3.728 -0.587 2.103 206 2HG GLN 28 1HG GLN 28 2.050 -0.138 1.808 207 1HE2 GLN 28 1HE2 GLN 28 4.913 0.934 2.988 208 2HE2 GLN 28 2HE2 GLN 28 4.350 2.195 4.027 209 H ALA 29 H ALA 29 2.193 -4.854 4.303 210 HA ALA 29 HA ALA 29 3.344 -4.441 6.859 211 1HB ALA 29 1HB ALA 29 1.665 -6.501 5.576 212 2HB ALA 29 2HB ALA 29 1.464 -5.665 7.115 213 3HB ALA 29 3HB ALA 29 2.600 -7.008 6.984 214 H TYR 30 H TYR 30 3.943 -7.090 4.506 215 HA TYR 30 HA TYR 30 6.751 -7.056 5.316 216 1HB TYR 30 2HB TYR 30 4.838 -9.336 5.645 217 2HB TYR 30 1HB TYR 30 6.543 -9.647 5.362 218 HD1 TYR 30 1HD TYR 30 4.055 -8.789 7.786 219 HD2 TYR 30 2HD TYR 30 8.232 -8.645 6.989 220 HE1 TYR 30 1HE TYR 30 4.495 -8.471 10.183 221 HE2 TYR 30 2HE TYR 30 8.684 -8.328 9.385 222 HH TYR 30 HH TYR 30 7.072 -7.280 11.440 223 H TYR 31 H TYR 31 4.873 -6.687 2.803 224 HA TYR 31 HA TYR 31 6.311 -8.548 1.045 225 1HB TYR 31 2HB TYR 31 3.653 -7.990 1.134 226 2HB TYR 31 1HB TYR 31 4.184 -6.879 -0.124 227 HD1 TYR 31 1HD TYR 31 3.765 -10.389 0.814 228 HD2 TYR 31 2HD TYR 31 5.050 -7.719 -2.238 229 HE1 TYR 31 1HE TYR 31 3.743 -12.240 -0.802 230 HE2 TYR 31 2HE TYR 31 5.031 -9.563 -3.867 231 HH TYR 31 HH TYR 31 3.590 -12.584 -3.206 232 H CYS 32 H CYS 32 5.562 -5.115 1.472 233 HA CYS 32 HA CYS 32 7.101 -4.290 -0.798 234 1HB CYS 32 2HB CYS 32 5.149 -3.062 0.482 235 2HB CYS 32 1HB CYS 32 6.472 -2.425 1.454 236 H SER 33 H SER 33 9.123 -5.299 -0.448 237 HA SER 33 HA SER 33 11.344 -5.174 0.068 238 1HB SER 33 2HB SER 33 10.838 -2.649 0.218 239 2HB SER 33 1HB SER 33 10.798 -2.897 1.964 240 HG SER 33 HG SER 33 12.917 -2.566 0.418 241 H HIS 34 H HIS 34 12.833 -5.338 2.060 242 HA HIS 34 HA HIS 34 11.492 -7.102 3.960 243 1HB HIS 34 2HB HIS 34 14.413 -6.613 3.359 244 2HB HIS 34 1HB HIS 34 13.846 -7.688 4.633 245 HD1 HIS 34 1HD HIS 34 13.717 -7.322 0.867 246 HD2 HIS 34 2HD HIS 34 13.214 -10.217 3.806 247 HE1 HIS 34 1HE HIS 34 13.484 -9.500 -0.367 248 HE2 HIS 34 2HE HIS 34 13.268 -11.248 1.434 249 H ARG 35 H ARG 35 10.439 -5.376 5.117 250 HA ARG 35 HA ARG 35 12.055 -3.454 6.537 251 1HB ARG 35 2HB ARG 35 9.122 -4.097 6.878 252 2HB ARG 35 1HB ARG 35 9.956 -2.671 7.481 253 1HG ARG 35 2HG ARG 35 10.486 -2.123 5.071 254 2HG ARG 35 1HG ARG 35 9.340 -3.392 4.631 255 1HD ARG 35 2HD ARG 35 7.572 -2.240 5.840 256 2HD ARG 35 1HD ARG 35 8.710 -0.996 6.352 257 HE ARG 35 HE ARG 35 8.537 -1.298 3.500 258 1HH1 ARG 35 1HH1 ARG 35 7.155 0.258 6.300 259 2HH1 ARG 35 2HH1 ARG 35 6.483 1.572 5.394 260 1HH2 ARG 35 1HH2 ARG 35 7.656 0.430 2.306 261 2HH2 ARG 35 2HH2 ARG 35 6.766 1.669 3.127 262 H ILE 36 H ILE 36 12.426 -3.374 8.749 263 HA ILE 36 HA ILE 36 12.375 -5.971 10.071 264 HB ILE 36 HB ILE 36 14.475 -4.686 10.064 265 1HG1 ILE 36 2HG1 ILE 36 14.448 -4.533 12.803 266 2HG1 ILE 36 1HG1 ILE 36 13.092 -5.613 12.488 267 1HG2 ILE 36 1HG2 ILE 36 14.656 -2.673 11.498 268 2HG2 ILE 36 2HG2 ILE 36 12.901 -2.686 11.677 269 3HG2 ILE 36 3HG2 ILE 36 13.624 -2.439 10.087 270 1HD1 ILE 36 1HD1 ILE 36 14.441 -7.302 11.988 271 2HD1 ILE 36 2HD1 ILE 36 15.743 -6.320 12.661 272 3HD1 ILE 36 3HD1 ILE 36 15.431 -6.302 10.925 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -9.193 10.971 1.757 2 2H GLY 1 2HT GLY 1 -9.838 12.505 2.059 3 3H GLY 1 3HT GLY 1 -8.246 12.154 2.510 4 1HA GLY 1 1HA GLY 1 -8.148 11.598 -0.103 5 2HA GLY 1 2HA GLY 1 -9.324 12.903 -0.072 6 H SER 2 H SER 2 -6.798 13.071 -1.309 7 HA SER 2 HA SER 2 -5.107 14.575 -1.548 8 1HB SER 2 2HB SER 2 -7.034 16.016 -0.273 9 2HB SER 2 1HB SER 2 -5.704 16.149 0.877 10 HG SER 2 HG SER 2 -5.944 17.692 -1.056 11 H LEU 3 H LEU 3 -5.501 14.516 1.995 12 HA LEU 3 HA LEU 3 -2.893 13.186 2.201 13 1HB LEU 3 2HB LEU 3 -2.380 14.692 4.151 14 2HB LEU 3 1HB LEU 3 -2.328 15.451 2.571 15 HG LEU 3 HG LEU 3 -4.896 15.639 4.039 16 1HD1 LEU 3 1HD1 LEU 3 -2.337 16.693 5.071 17 2HD1 LEU 3 2HD1 LEU 3 -3.820 16.272 5.924 18 3HD1 LEU 3 3HD1 LEU 3 -3.706 17.805 5.060 19 1HD2 LEU 3 1HD2 LEU 3 -3.973 16.684 1.739 20 2HD2 LEU 3 2HD2 LEU 3 -3.536 17.975 2.860 21 3HD2 LEU 3 3HD2 LEU 3 -5.214 17.450 2.731 22 H LEU 4 H LEU 4 -2.518 12.669 4.674 23 HA LEU 4 HA LEU 4 -3.127 11.436 6.482 24 1HB LEU 4 2HB LEU 4 -5.420 13.196 6.003 25 2HB LEU 4 1HB LEU 4 -5.833 11.724 6.862 26 HG LEU 4 HG LEU 4 -5.379 13.460 8.461 27 1HD1 LEU 4 1HD1 LEU 4 -4.306 10.997 8.561 28 2HD1 LEU 4 2HD1 LEU 4 -4.166 12.179 9.863 29 3HD1 LEU 4 3HD1 LEU 4 -2.847 11.974 8.710 30 1HD2 LEU 4 1HD2 LEU 4 -3.055 13.957 6.705 31 2HD2 LEU 4 2HD2 LEU 4 -2.795 14.164 8.438 32 3HD2 LEU 4 3HD2 LEU 4 -4.053 15.088 7.618 33 H LYS 5 H LYS 5 -6.236 11.223 4.787 34 HA LYS 5 HA LYS 5 -6.281 8.383 5.021 35 1HB LYS 5 2HB LYS 5 -8.040 10.332 3.533 36 2HB LYS 5 1HB LYS 5 -8.338 8.600 3.558 37 1HG LYS 5 2HG LYS 5 -8.153 9.030 6.186 38 2HG LYS 5 1HG LYS 5 -8.715 10.623 5.676 39 1HD LYS 5 2HD LYS 5 -10.725 9.571 5.987 40 2HD LYS 5 1HD LYS 5 -10.441 9.192 4.287 41 1HE LYS 5 2HE LYS 5 -10.038 6.994 4.702 42 2HE LYS 5 1HE LYS 5 -9.336 7.311 6.288 43 1HZ LYS 5 1HZ LYS 5 -11.686 6.196 6.016 44 2HZ LYS 5 2HZ LYS 5 -12.197 7.807 5.939 45 3HZ LYS 5 3HZ LYS 5 -11.356 7.252 7.297 46 HA PRO 6 HA PRO 6 -4.064 7.022 1.459 47 1HB PRO 6 2HB PRO 6 -6.365 5.178 1.028 48 2HB PRO 6 1HB PRO 6 -4.639 4.818 1.138 49 1HG PRO 6 2HG PRO 6 -6.271 4.267 3.166 50 2HG PRO 6 1HG PRO 6 -4.636 4.892 3.456 51 1HD PRO 6 2HD PRO 6 -7.263 6.297 3.631 52 2HD PRO 6 1HD PRO 6 -5.807 6.495 4.627 53 H ALA 7 H ALA 7 -3.954 7.914 -0.499 54 HA ALA 7 HA ALA 7 -6.295 9.132 -1.675 55 1HB ALA 7 1HB ALA 7 -4.647 9.895 -3.417 56 2HB ALA 7 2HB ALA 7 -3.393 9.089 -2.474 57 3HB ALA 7 3HB ALA 7 -4.307 10.424 -1.770 58 H ARG 8 H ARG 8 -3.945 6.635 -2.625 59 HA ARG 8 HA ARG 8 -5.994 5.509 -4.406 60 1HB ARG 8 2HB ARG 8 -3.109 6.071 -5.076 61 2HB ARG 8 1HB ARG 8 -4.083 4.928 -5.989 62 1HG ARG 8 2HG ARG 8 -5.204 6.542 -7.063 63 2HG ARG 8 1HG ARG 8 -5.318 7.560 -5.627 64 1HD ARG 8 2HD ARG 8 -3.938 8.817 -6.978 65 2HD ARG 8 1HD ARG 8 -2.768 7.918 -6.013 66 HE ARG 8 HE ARG 8 -2.098 6.812 -7.905 67 1HH1 ARG 8 1HH1 ARG 8 -5.113 8.449 -8.551 68 2HH1 ARG 8 2HH1 ARG 8 -5.060 8.138 -10.253 69 1HH2 ARG 8 1HH2 ARG 8 -2.026 6.406 -10.143 70 2HH2 ARG 8 2HH2 ARG 8 -3.308 6.979 -11.159 71 H PHE 9 H PHE 9 -5.191 3.252 -5.197 72 HA PHE 9 HA PHE 9 -3.906 1.848 -2.950 73 1HB PHE 9 2HB PHE 9 -5.489 -0.059 -3.431 74 2HB PHE 9 1HB PHE 9 -6.237 1.373 -2.732 75 HD1 PHE 9 1HD PHE 9 -7.273 3.054 -4.420 76 HD2 PHE 9 2HD PHE 9 -6.396 -1.010 -5.326 77 HE1 PHE 9 1HE PHE 9 -8.877 3.128 -6.283 78 HE2 PHE 9 2HE PHE 9 -7.999 -0.944 -7.192 79 HZ PHE 9 HZ PHE 9 -9.242 1.127 -7.673 80 H MET 10 H MET 10 -1.999 2.091 -4.340 81 HA MET 10 HA MET 10 -1.551 -0.262 -5.881 82 1HB MET 10 2HB MET 10 -2.691 1.060 -7.592 83 2HB MET 10 1HB MET 10 -1.581 2.397 -7.324 84 1HG MET 10 2HG MET 10 0.277 0.884 -8.032 85 2HG MET 10 1HG MET 10 -0.946 -0.303 -8.482 86 1HE MET 10 1HE MET 10 0.162 -0.491 -10.525 87 2HE MET 10 2HE MET 10 1.028 0.906 -11.166 88 3HE MET 10 3HE MET 10 -0.440 0.338 -11.961 89 H CYS 11 H CYS 11 0.500 -0.823 -5.579 90 HA CYS 11 HA CYS 11 2.314 1.067 -4.342 91 1HB CYS 11 2HB CYS 11 1.981 -1.511 -3.830 92 2HB CYS 11 1HB CYS 11 3.184 -1.689 -5.104 93 H LEU 12 H LEU 12 2.684 2.513 -6.056 94 HA LEU 12 HA LEU 12 3.505 1.873 -8.631 95 1HB LEU 12 2HB LEU 12 4.675 4.253 -7.254 96 2HB LEU 12 1HB LEU 12 4.095 4.097 -8.899 97 HG LEU 12 HG LEU 12 1.806 3.712 -7.398 98 1HD1 LEU 12 1HD1 LEU 12 2.444 6.200 -6.195 99 2HD1 LEU 12 2HD1 LEU 12 3.685 5.036 -5.730 100 3HD1 LEU 12 3HD1 LEU 12 1.985 4.686 -5.417 101 1HD2 LEU 12 1HD2 LEU 12 2.511 6.461 -8.279 102 2HD2 LEU 12 2HD2 LEU 12 1.037 5.528 -8.544 103 3HD2 LEU 12 3HD2 LEU 12 2.485 5.179 -9.489 104 HA PRO 13 HA PRO 13 8.108 2.186 -6.852 105 1HB PRO 13 2HB PRO 13 7.530 0.919 -4.225 106 2HB PRO 13 1HB PRO 13 8.672 2.206 -4.628 107 1HG PRO 13 2HG PRO 13 6.400 2.753 -3.348 108 2HG PRO 13 1HG PRO 13 7.037 3.850 -4.589 109 1HD PRO 13 2HD PRO 13 4.790 1.886 -4.763 110 2HD PRO 13 1HD PRO 13 4.930 3.506 -5.475 111 H CYS 14 H CYS 14 5.681 -0.244 -6.531 112 HA CYS 14 HA CYS 14 7.662 -2.358 -7.000 113 1HB CYS 14 2HB CYS 14 4.966 -2.357 -5.670 114 2HB CYS 14 1HB CYS 14 5.654 -3.841 -6.310 115 H GLY 15 H GLY 15 4.828 -0.727 -8.163 116 1HA GLY 15 2HA GLY 15 3.939 -0.686 -10.277 117 2HA GLY 15 1HA GLY 15 5.175 -1.831 -10.754 118 H ILE 16 H ILE 16 2.857 -2.267 -8.154 119 HA ILE 16 HA ILE 16 1.402 -4.238 -9.770 120 HB ILE 16 HB ILE 16 2.209 -4.821 -6.927 121 1HG1 ILE 16 2HG1 ILE 16 3.504 -5.978 -9.399 122 2HG1 ILE 16 1HG1 ILE 16 4.190 -4.629 -8.500 123 1HG2 ILE 16 1HG2 ILE 16 0.725 -6.236 -9.067 124 2HG2 ILE 16 2HG2 ILE 16 0.459 -6.215 -7.323 125 3HG2 ILE 16 3HG2 ILE 16 1.751 -7.203 -8.007 126 1HD1 ILE 16 1HD1 ILE 16 4.557 -7.363 -8.043 127 2HD1 ILE 16 2HD1 ILE 16 3.571 -6.770 -6.706 128 3HD1 ILE 16 3HD1 ILE 16 5.126 -6.015 -7.058 129 H ALA 17 H ALA 17 -0.568 -3.330 -9.844 130 HA ALA 17 HA ALA 17 -1.655 -1.923 -7.555 131 1HB ALA 17 1HB ALA 17 -1.955 -1.523 -10.199 132 2HB ALA 17 2HB ALA 17 -3.122 -0.980 -8.994 133 3HB ALA 17 3HB ALA 17 -3.397 -2.486 -9.871 134 H PHE 18 H PHE 18 -2.806 -2.875 -6.004 135 HA PHE 18 HA PHE 18 -3.625 -5.620 -6.302 136 1HB PHE 18 2HB PHE 18 -3.372 -3.664 -4.079 137 2HB PHE 18 1HB PHE 18 -4.455 -5.022 -3.860 138 HD1 PHE 18 1HD PHE 18 -3.609 -7.047 -3.094 139 HD2 PHE 18 2HD PHE 18 -0.980 -4.223 -4.889 140 HE1 PHE 18 1HE PHE 18 -1.688 -8.468 -2.507 141 HE2 PHE 18 2HE PHE 18 0.946 -5.638 -4.307 142 HZ PHE 18 HZ PHE 18 0.595 -7.764 -3.117 143 H SER 19 H SER 19 -5.840 -6.060 -5.044 144 HA SER 19 HA SER 19 -7.860 -4.846 -6.718 145 1HB SER 19 2HB SER 19 -8.051 -7.196 -6.509 146 2HB SER 19 1HB SER 19 -7.895 -7.130 -4.754 147 HG SER 19 HG SER 19 -10.087 -6.378 -6.365 148 H SER 20 H SER 20 -6.804 -4.564 -3.415 149 HA SER 20 HA SER 20 -8.740 -2.465 -3.010 150 1HB SER 20 2HB SER 20 -9.137 -5.086 -1.919 151 2HB SER 20 1HB SER 20 -8.868 -3.946 -0.603 152 HG SER 20 HG SER 20 -11.046 -4.268 -2.131 153 HA PRO 21 HA PRO 21 -5.666 -0.616 -0.455 154 1HB PRO 21 2HB PRO 21 -6.984 0.336 1.706 155 2HB PRO 21 1HB PRO 21 -7.182 1.025 0.091 156 1HG PRO 21 2HG PRO 21 -8.942 -0.899 1.558 157 2HG PRO 21 1HG PRO 21 -9.393 0.509 0.578 158 1HD PRO 21 2HD PRO 21 -9.506 -2.042 -0.350 159 2HD PRO 21 1HD PRO 21 -9.193 -0.647 -1.398 160 H SER 22 H SER 22 -7.811 -2.661 1.524 161 HA SER 22 HA SER 22 -6.126 -3.025 3.713 162 1HB SER 22 2HB SER 22 -8.049 -5.059 2.553 163 2HB SER 22 1HB SER 22 -7.440 -5.019 4.207 164 HG SER 22 HG SER 22 -9.138 -3.841 4.570 165 H THR 23 H THR 23 -6.205 -4.673 0.601 166 HA THR 23 HA THR 23 -4.424 -6.754 1.239 167 HB THR 23 HB THR 23 -4.129 -7.027 -1.157 168 HG1 THR 23 1HG THR 23 -5.486 -4.561 -1.462 169 1HG2 THR 23 1HG2 THR 23 -6.737 -6.458 -1.763 170 2HG2 THR 23 2HG2 THR 23 -6.776 -6.680 -0.013 171 3HG2 THR 23 3HG2 THR 23 -6.142 -7.957 -1.052 172 H LEU 24 H LEU 24 -3.929 -3.442 0.199 173 HA LEU 24 HA LEU 24 -1.190 -3.560 -0.359 174 1HB LEU 24 2HB LEU 24 -2.380 -1.160 0.966 175 2HB LEU 24 1HB LEU 24 -1.212 -1.245 -0.330 176 HG LEU 24 HG LEU 24 -4.158 -1.799 -0.580 177 1HD1 LEU 24 1HD1 LEU 24 -2.614 0.420 -1.876 178 2HD1 LEU 24 2HD1 LEU 24 -3.336 0.603 -0.277 179 3HD1 LEU 24 3HD1 LEU 24 -4.358 0.256 -1.672 180 1HD2 LEU 24 1HD2 LEU 24 -3.148 -3.194 -2.156 181 2HD2 LEU 24 2HD2 LEU 24 -1.881 -2.022 -2.516 182 3HD2 LEU 24 3HD2 LEU 24 -3.532 -1.731 -3.062 183 H GLU 25 H GLU 25 -2.970 -2.938 2.610 184 HA GLU 25 HA GLU 25 -0.810 -2.397 4.291 185 1HB GLU 25 2HB GLU 25 -3.466 -2.411 4.641 186 2HB GLU 25 1HB GLU 25 -3.093 -3.951 5.400 187 1HG GLU 25 2HG GLU 25 -1.563 -2.852 6.929 188 2HG GLU 25 1HG GLU 25 -1.855 -1.305 6.134 189 H ALA 26 H ALA 26 -2.080 -5.401 3.097 190 HA ALA 26 HA ALA 26 -0.594 -7.055 4.842 191 1HB ALA 26 1HB ALA 26 -2.276 -8.360 4.117 192 2HB ALA 26 2HB ALA 26 -1.209 -8.679 2.750 193 3HB ALA 26 3HB ALA 26 -2.460 -7.444 2.621 194 H HIS 27 H HIS 27 -0.178 -5.661 1.694 195 HA HIS 27 HA HIS 27 2.172 -7.133 0.987 196 1HB HIS 27 2HB HIS 27 0.849 -6.230 -0.792 197 2HB HIS 27 1HB HIS 27 0.863 -4.627 -0.081 198 HD1 HIS 27 1HD HIS 27 3.075 -6.996 -2.024 199 HD2 HIS 27 2HD HIS 27 2.987 -3.044 -0.747 200 HE1 HIS 27 1HE HIS 27 4.952 -5.814 -3.240 201 H GLN 28 H GLN 28 1.524 -3.831 2.055 202 HA GLN 28 HA GLN 28 4.208 -3.026 2.341 203 1HB GLN 28 2HB GLN 28 1.591 -1.948 2.864 204 2HB GLN 28 1HB GLN 28 2.637 -1.631 4.241 205 1HG GLN 28 2HG GLN 28 3.843 -1.081 1.629 206 2HG GLN 28 1HG GLN 28 2.454 -0.074 2.033 207 1HE2 GLN 28 1HE2 GLN 28 5.754 -0.707 2.596 208 2HE2 GLN 28 2HE2 GLN 28 6.025 0.513 3.790 209 H ALA 29 H ALA 29 2.207 -5.088 4.209 210 HA ALA 29 HA ALA 29 3.368 -4.708 6.756 211 1HB ALA 29 1HB ALA 29 1.585 -6.697 5.496 212 2HB ALA 29 2HB ALA 29 1.404 -5.798 7.002 213 3HB ALA 29 3HB ALA 29 2.458 -7.211 6.940 214 H TYR 30 H TYR 30 3.820 -7.448 4.477 215 HA TYR 30 HA TYR 30 6.603 -7.603 5.378 216 1HB TYR 30 2HB TYR 30 4.525 -9.753 5.552 217 2HB TYR 30 1HB TYR 30 6.220 -10.172 5.349 218 HD1 TYR 30 1HD TYR 30 3.725 -9.724 7.707 219 HD2 TYR 30 2HD TYR 30 7.826 -8.805 7.044 220 HE1 TYR 30 1HE TYR 30 4.059 -9.496 10.131 221 HE2 TYR 30 2HE TYR 30 8.171 -8.575 9.468 222 HH TYR 30 HH TYR 30 7.175 -9.269 11.545 223 H TYR 31 H TYR 31 4.771 -7.147 2.786 224 HA TYR 31 HA TYR 31 6.231 -9.012 1.058 225 1HB TYR 31 2HB TYR 31 3.587 -8.286 1.059 226 2HB TYR 31 1HB TYR 31 4.248 -7.273 -0.220 227 HD1 TYR 31 1HD TYR 31 2.939 -10.449 0.573 228 HD2 TYR 31 2HD TYR 31 5.745 -8.521 -1.976 229 HE1 TYR 31 1HE TYR 31 2.856 -12.369 -0.959 230 HE2 TYR 31 2HE TYR 31 5.669 -10.434 -3.518 231 HH TYR 31 HH TYR 31 3.301 -12.771 -3.434 232 H CYS 32 H CYS 32 5.547 -5.553 1.447 233 HA CYS 32 HA CYS 32 7.259 -4.782 -0.717 234 1HB CYS 32 2HB CYS 32 5.247 -3.506 0.446 235 2HB CYS 32 1HB CYS 32 6.537 -2.869 1.460 236 H SER 33 H SER 33 9.380 -5.111 -0.601 237 HA SER 33 HA SER 33 11.496 -5.345 0.235 238 1HB SER 33 2HB SER 33 10.816 -2.839 1.781 239 2HB SER 33 1HB SER 33 12.398 -3.342 1.185 240 HG SER 33 HG SER 33 11.702 -2.974 -0.905 241 H HIS 34 H HIS 34 12.719 -4.708 2.605 242 HA HIS 34 HA HIS 34 11.250 -6.343 4.570 243 1HB HIS 34 2HB HIS 34 14.245 -6.264 4.146 244 2HB HIS 34 1HB HIS 34 13.385 -7.263 5.313 245 HD1 HIS 34 1HD HIS 34 13.885 -6.886 1.588 246 HD2 HIS 34 2HD HIS 34 12.445 -9.653 4.334 247 HE1 HIS 34 1HE HIS 34 13.509 -9.000 0.279 248 HE2 HIS 34 2HE HIS 34 12.733 -10.687 1.981 249 H ARG 35 H ARG 35 10.571 -3.957 4.993 250 HA ARG 35 HA ARG 35 12.483 -2.371 6.452 251 1HB ARG 35 2HB ARG 35 10.794 -1.236 5.145 252 2HB ARG 35 1HB ARG 35 9.509 -2.067 6.008 253 1HG ARG 35 2HG ARG 35 10.859 -0.836 8.042 254 2HG ARG 35 1HG ARG 35 11.015 0.326 6.724 255 1HD ARG 35 2HD ARG 35 9.027 0.827 7.983 256 2HD ARG 35 1HD ARG 35 8.566 0.219 6.393 257 HE ARG 35 HE ARG 35 8.529 -2.001 7.934 258 1HH1 ARG 35 1HH1 ARG 35 7.073 1.152 8.266 259 2HH1 ARG 35 2HH1 ARG 35 5.702 0.565 9.147 260 1HH2 ARG 35 1HH2 ARG 35 6.726 -2.776 9.093 261 2HH2 ARG 35 2HH2 ARG 35 5.507 -1.664 9.617 262 H ILE 36 H ILE 36 12.908 -2.491 8.556 263 HA ILE 36 HA ILE 36 10.952 -3.822 10.313 264 HB ILE 36 HB ILE 36 12.864 -5.309 9.904 265 1HG1 ILE 36 2HG1 ILE 36 13.405 -4.480 12.687 266 2HG1 ILE 36 1HG1 ILE 36 11.708 -4.740 12.298 267 1HG2 ILE 36 1HG2 ILE 36 15.081 -4.615 10.931 268 2HG2 ILE 36 2HG2 ILE 36 14.449 -2.969 10.918 269 3HG2 ILE 36 3HG2 ILE 36 14.639 -3.853 9.403 270 1HD1 ILE 36 1HD1 ILE 36 11.952 -6.950 12.256 271 2HD1 ILE 36 2HD1 ILE 36 13.488 -6.662 13.074 272 3HD1 ILE 36 3HD1 ILE 36 13.445 -6.860 11.321 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -10.609 11.092 1.376 2 2H GLY 1 2HT GLY 1 -11.319 12.584 1.017 3 3H GLY 1 3HT GLY 1 -10.053 12.499 2.134 4 1HA GLY 1 1HA GLY 1 -8.902 11.390 -0.016 5 2HA GLY 1 2HA GLY 1 -9.975 12.566 -0.758 6 H SER 2 H SER 2 -7.371 12.945 -1.166 7 HA SER 2 HA SER 2 -5.690 14.470 -1.007 8 1HB SER 2 2HB SER 2 -7.871 15.950 -0.960 9 2HB SER 2 1HB SER 2 -7.380 16.251 0.707 10 HG SER 2 HG SER 2 -6.417 17.334 -1.534 11 H LEU 3 H LEU 3 -4.235 13.356 0.226 12 HA LEU 3 HA LEU 3 -3.027 12.687 2.037 13 1HB LEU 3 2HB LEU 3 -2.240 14.432 3.419 14 2HB LEU 3 1HB LEU 3 -2.534 15.138 1.843 15 HG LEU 3 HG LEU 3 -4.761 15.352 3.777 16 1HD1 LEU 3 1HD1 LEU 3 -2.056 16.413 4.312 17 2HD1 LEU 3 2HD1 LEU 3 -3.352 15.986 5.429 18 3HD1 LEU 3 3HD1 LEU 3 -3.409 17.517 4.555 19 1HD2 LEU 3 1HD2 LEU 3 -4.229 16.397 1.337 20 2HD2 LEU 3 2HD2 LEU 3 -3.661 17.696 2.387 21 3HD2 LEU 3 3HD2 LEU 3 -5.325 17.124 2.512 22 H LEU 4 H LEU 4 -3.042 12.928 4.661 23 HA LEU 4 HA LEU 4 -4.010 12.237 6.596 24 1HB LEU 4 2HB LEU 4 -5.841 14.018 5.462 25 2HB LEU 4 1HB LEU 4 -6.801 12.628 5.929 26 HG LEU 4 HG LEU 4 -6.697 14.388 7.671 27 1HD1 LEU 4 1HD1 LEU 4 -6.710 11.726 7.993 28 2HD1 LEU 4 2HD1 LEU 4 -6.799 12.867 9.336 29 3HD1 LEU 4 3HD1 LEU 4 -5.256 12.129 8.906 30 1HD2 LEU 4 1HD2 LEU 4 -4.126 14.711 7.012 31 2HD2 LEU 4 2HD2 LEU 4 -3.932 13.622 8.385 32 3HD2 LEU 4 3HD2 LEU 4 -4.775 15.158 8.590 33 H LYS 5 H LYS 5 -6.658 11.469 4.342 34 HA LYS 5 HA LYS 5 -6.498 8.680 5.227 35 1HB LYS 5 2HB LYS 5 -8.661 10.445 4.250 36 2HB LYS 5 1HB LYS 5 -8.745 8.772 3.715 37 1HG LYS 5 2HG LYS 5 -8.565 8.084 6.112 38 2HG LYS 5 1HG LYS 5 -8.719 9.789 6.545 39 1HD LYS 5 2HD LYS 5 -10.900 9.908 5.566 40 2HD LYS 5 1HD LYS 5 -10.734 8.294 4.872 41 1HE LYS 5 2HE LYS 5 -10.309 7.753 7.483 42 2HE LYS 5 1HE LYS 5 -11.411 9.122 7.619 43 1HZ LYS 5 1HZ LYS 5 -12.642 7.670 5.758 44 2HZ LYS 5 2HZ LYS 5 -12.955 7.519 7.414 45 3HZ LYS 5 3HZ LYS 5 -11.907 6.433 6.649 46 HA PRO 6 HA PRO 6 -4.790 7.443 1.336 47 1HB PRO 6 2HB PRO 6 -5.415 4.816 1.361 48 2HB PRO 6 1HB PRO 6 -4.180 5.504 2.422 49 1HG PRO 6 2HG PRO 6 -7.029 4.813 3.033 50 2HG PRO 6 1HG PRO 6 -5.574 4.516 4.002 51 1HD PRO 6 2HD PRO 6 -7.274 6.582 4.480 52 2HD PRO 6 1HD PRO 6 -5.536 6.661 4.829 53 H ALA 7 H ALA 7 -5.451 6.119 -0.660 54 HA ALA 7 HA ALA 7 -8.225 5.800 -1.229 55 1HB ALA 7 1HB ALA 7 -7.930 7.613 -3.174 56 2HB ALA 7 2HB ALA 7 -6.908 8.350 -1.939 57 3HB ALA 7 3HB ALA 7 -8.602 8.004 -1.591 58 H ARG 8 H ARG 8 -5.008 6.371 -2.604 59 HA ARG 8 HA ARG 8 -5.542 4.873 -4.986 60 1HB ARG 8 2HB ARG 8 -3.190 6.243 -3.792 61 2HB ARG 8 1HB ARG 8 -2.868 4.972 -4.964 62 1HG ARG 8 2HG ARG 8 -4.605 6.249 -6.421 63 2HG ARG 8 1HG ARG 8 -4.231 7.596 -5.344 64 1HD ARG 8 2HD ARG 8 -2.750 7.850 -7.139 65 2HD ARG 8 1HD ARG 8 -1.781 7.106 -5.868 66 HE ARG 8 HE ARG 8 -1.559 5.235 -7.173 67 1HH1 ARG 8 1HH1 ARG 8 -4.093 7.244 -8.485 68 2HH1 ARG 8 2HH1 ARG 8 -4.252 6.312 -9.935 69 1HH2 ARG 8 1HH2 ARG 8 -1.766 4.008 -9.080 70 2HH2 ARG 8 2HH2 ARG 8 -2.931 4.473 -10.273 71 H PHE 9 H PHE 9 -5.448 2.749 -5.268 72 HA PHE 9 HA PHE 9 -4.157 1.121 -3.182 73 1HB PHE 9 2HB PHE 9 -5.713 -0.692 -4.378 74 2HB PHE 9 1HB PHE 9 -6.303 0.337 -3.079 75 HD1 PHE 9 1HD PHE 9 -8.226 1.565 -3.395 76 HD2 PHE 9 2HD PHE 9 -6.043 0.224 -6.794 77 HE1 PHE 9 1HE PHE 9 -10.010 2.404 -4.868 78 HE2 PHE 9 2HE PHE 9 -7.822 1.062 -8.272 79 HZ PHE 9 HZ PHE 9 -9.809 2.155 -7.309 80 H MET 10 H MET 10 -2.191 1.705 -4.523 81 HA MET 10 HA MET 10 -1.474 -0.559 -6.102 82 1HB MET 10 2HB MET 10 -2.672 0.705 -7.820 83 2HB MET 10 1HB MET 10 -1.689 2.123 -7.485 84 1HG MET 10 2HG MET 10 0.305 0.605 -8.089 85 2HG MET 10 1HG MET 10 -0.914 -0.432 -8.827 86 1HE MET 10 1HE MET 10 -2.306 0.014 -10.640 87 2HE MET 10 2HE MET 10 -2.075 1.236 -11.891 88 3HE MET 10 3HE MET 10 -3.004 1.620 -10.442 89 H CYS 11 H CYS 11 0.586 -0.956 -5.656 90 HA CYS 11 HA CYS 11 2.193 1.087 -4.374 91 1HB CYS 11 2HB CYS 11 2.035 -1.464 -3.778 92 2HB CYS 11 1HB CYS 11 3.237 -1.641 -5.051 93 H LEU 12 H LEU 12 2.534 2.528 -6.099 94 HA LEU 12 HA LEU 12 3.457 1.962 -8.635 95 1HB LEU 12 2HB LEU 12 4.553 4.343 -7.195 96 2HB LEU 12 1HB LEU 12 4.002 4.203 -8.853 97 HG LEU 12 HG LEU 12 1.683 3.759 -7.475 98 1HD1 LEU 12 1HD1 LEU 12 1.489 5.281 -5.677 99 2HD1 LEU 12 2HD1 LEU 12 3.077 5.975 -5.999 100 3HD1 LEU 12 3HD1 LEU 12 2.944 4.334 -5.369 101 1HD2 LEU 12 1HD2 LEU 12 2.371 6.582 -8.033 102 2HD2 LEU 12 2HD2 LEU 12 0.970 5.635 -8.530 103 3HD2 LEU 12 3HD2 LEU 12 2.507 5.443 -9.372 104 HA PRO 13 HA PRO 13 8.026 2.347 -6.813 105 1HB PRO 13 2HB PRO 13 7.486 1.105 -4.171 106 2HB PRO 13 1HB PRO 13 8.575 2.432 -4.591 107 1HG PRO 13 2HG PRO 13 6.281 2.900 -3.318 108 2HG PRO 13 1HG PRO 13 6.874 4.008 -4.569 109 1HD PRO 13 2HD PRO 13 4.717 1.943 -4.732 110 2HD PRO 13 1HD PRO 13 4.779 3.568 -5.444 111 H CYS 14 H CYS 14 5.663 -0.144 -6.504 112 HA CYS 14 HA CYS 14 7.716 -2.198 -6.938 113 1HB CYS 14 2HB CYS 14 5.033 -2.288 -5.578 114 2HB CYS 14 1HB CYS 14 5.812 -3.748 -6.163 115 H GLY 15 H GLY 15 4.787 -0.717 -8.079 116 1HA GLY 15 2HA GLY 15 3.879 -0.759 -10.188 117 2HA GLY 15 1HA GLY 15 5.126 -1.901 -10.645 118 H ILE 16 H ILE 16 2.938 -2.340 -7.947 119 HA ILE 16 HA ILE 16 1.513 -4.425 -9.463 120 HB ILE 16 HB ILE 16 2.230 -4.748 -6.556 121 1HG1 ILE 16 2HG1 ILE 16 3.693 -6.024 -8.873 122 2HG1 ILE 16 1HG1 ILE 16 4.279 -4.589 -8.035 123 1HG2 ILE 16 1HG2 ILE 16 0.869 -6.358 -8.626 124 2HG2 ILE 16 2HG2 ILE 16 0.591 -6.271 -6.887 125 3HG2 ILE 16 3HG2 ILE 16 1.932 -7.226 -7.519 126 1HD1 ILE 16 1HD1 ILE 16 5.278 -6.769 -7.306 127 2HD1 ILE 16 2HD1 ILE 16 3.699 -7.181 -6.635 128 3HD1 ILE 16 3HD1 ILE 16 4.582 -5.784 -6.018 129 H ALA 17 H ALA 17 -0.482 -3.600 -9.661 130 HA ALA 17 HA ALA 17 -1.672 -2.033 -7.534 131 1HB ALA 17 1HB ALA 17 -1.915 -1.899 -10.220 132 2HB ALA 17 2HB ALA 17 -3.108 -1.255 -9.092 133 3HB ALA 17 3HB ALA 17 -3.349 -2.843 -9.818 134 H PHE 18 H PHE 18 -2.776 -2.912 -5.909 135 HA PHE 18 HA PHE 18 -3.553 -5.683 -6.012 136 1HB PHE 18 2HB PHE 18 -3.312 -3.575 -3.931 137 2HB PHE 18 1HB PHE 18 -4.390 -4.920 -3.613 138 HD1 PHE 18 1HD PHE 18 -3.456 -7.267 -3.700 139 HD2 PHE 18 2HD PHE 18 -0.997 -3.793 -3.715 140 HE1 PHE 18 1HE PHE 18 -1.524 -8.635 -3.025 141 HE2 PHE 18 2HE PHE 18 0.938 -5.154 -3.040 142 HZ PHE 18 HZ PHE 18 0.677 -7.579 -2.696 143 H SER 19 H SER 19 -5.768 -5.953 -4.586 144 HA SER 19 HA SER 19 -7.812 -5.002 -6.395 145 1HB SER 19 2HB SER 19 -7.499 -7.371 -5.187 146 2HB SER 19 1HB SER 19 -8.544 -6.596 -3.997 147 HG SER 19 HG SER 19 -9.997 -7.368 -5.362 148 H SER 20 H SER 20 -6.755 -4.330 -3.128 149 HA SER 20 HA SER 20 -8.417 -2.008 -3.030 150 1HB SER 20 2HB SER 20 -9.260 -4.478 -1.679 151 2HB SER 20 1HB SER 20 -9.245 -3.054 -0.639 152 HG SER 20 HG SER 20 -10.458 -2.032 -2.438 153 HA PRO 21 HA PRO 21 -5.457 -0.283 -0.279 154 1HB PRO 21 2HB PRO 21 -6.982 0.394 1.959 155 2HB PRO 21 1HB PRO 21 -6.747 1.399 0.526 156 1HG PRO 21 2HG PRO 21 -9.023 -0.393 1.237 157 2HG PRO 21 1HG PRO 21 -9.043 1.182 0.422 158 1HD PRO 21 2HD PRO 21 -9.373 -1.089 -0.948 159 2HD PRO 21 1HD PRO 21 -8.449 0.266 -1.629 160 H SER 22 H SER 22 -7.775 -2.224 1.631 161 HA SER 22 HA SER 22 -6.113 -2.900 3.738 162 1HB SER 22 2HB SER 22 -8.662 -3.487 3.148 163 2HB SER 22 1HB SER 22 -7.926 -5.031 2.720 164 HG SER 22 HG SER 22 -7.659 -3.695 5.211 165 H THR 23 H THR 23 -6.226 -4.202 0.494 166 HA THR 23 HA THR 23 -4.671 -6.514 0.977 167 HB THR 23 HB THR 23 -4.449 -5.191 -1.666 168 HG1 THR 23 1HG THR 23 -6.923 -6.237 -0.770 169 1HG2 THR 23 1HG2 THR 23 -5.327 -7.953 -0.861 170 2HG2 THR 23 2HG2 THR 23 -3.705 -7.489 -1.378 171 3HG2 THR 23 3HG2 THR 23 -5.056 -7.383 -2.508 172 H LEU 24 H LEU 24 -3.875 -3.202 0.110 173 HA LEU 24 HA LEU 24 -1.147 -3.523 -0.391 174 1HB LEU 24 2HB LEU 24 -2.154 -1.098 1.033 175 2HB LEU 24 1HB LEU 24 -0.974 -1.221 -0.251 176 HG LEU 24 HG LEU 24 -3.956 -1.481 -0.554 177 1HD1 LEU 24 1HD1 LEU 24 -2.418 0.574 -1.996 178 2HD1 LEU 24 2HD1 LEU 24 -2.569 0.801 -0.254 179 3HD1 LEU 24 3HD1 LEU 24 -4.014 0.660 -1.253 180 1HD2 LEU 24 1HD2 LEU 24 -2.371 -2.892 -2.059 181 2HD2 LEU 24 2HD2 LEU 24 -2.026 -1.342 -2.828 182 3HD2 LEU 24 3HD2 LEU 24 -3.677 -1.962 -2.793 183 H GLU 25 H GLU 25 -2.928 -2.897 2.575 184 HA GLU 25 HA GLU 25 -0.834 -2.542 4.343 185 1HB GLU 25 2HB GLU 25 -3.497 -2.584 4.617 186 2HB GLU 25 1HB GLU 25 -3.138 -4.168 5.286 187 1HG GLU 25 2HG GLU 25 -1.758 -3.223 6.980 188 2HG GLU 25 1HG GLU 25 -1.820 -1.633 6.223 189 H ALA 26 H ALA 26 -2.089 -5.486 2.975 190 HA ALA 26 HA ALA 26 -0.612 -7.216 4.649 191 1HB ALA 26 1HB ALA 26 -2.449 -7.510 2.385 192 2HB ALA 26 2HB ALA 26 -2.303 -8.473 3.854 193 3HB ALA 26 3HB ALA 26 -1.210 -8.758 2.500 194 H HIS 27 H HIS 27 -0.148 -5.659 1.586 195 HA HIS 27 HA HIS 27 2.199 -7.126 0.845 196 1HB HIS 27 2HB HIS 27 0.937 -6.138 -0.925 197 2HB HIS 27 1HB HIS 27 0.923 -4.569 -0.137 198 HD1 HIS 27 1HD HIS 27 3.319 -6.882 -1.965 199 HD2 HIS 27 2HD HIS 27 2.948 -2.909 -0.811 200 HE1 HIS 27 1HE HIS 27 5.208 -5.636 -3.093 201 H GLN 28 H GLN 28 1.575 -3.843 2.005 202 HA GLN 28 HA GLN 28 4.251 -3.086 2.381 203 1HB GLN 28 2HB GLN 28 1.654 -1.993 2.875 204 2HB GLN 28 1HB GLN 28 2.622 -1.793 4.328 205 1HG GLN 28 2HG GLN 28 3.758 -1.035 1.680 206 2HG GLN 28 1HG GLN 28 2.613 0.036 2.483 207 1HE2 GLN 28 1HE2 GLN 28 4.096 1.650 2.849 208 2HE2 GLN 28 2HE2 GLN 28 5.388 1.500 3.986 209 H ALA 29 H ALA 29 2.212 -5.214 4.143 210 HA ALA 29 HA ALA 29 3.336 -4.961 6.713 211 1HB ALA 29 1HB ALA 29 1.620 -6.922 5.322 212 2HB ALA 29 2HB ALA 29 1.391 -6.103 6.867 213 3HB ALA 29 3HB ALA 29 2.477 -7.488 6.756 214 H TYR 30 H TYR 30 3.928 -7.515 4.255 215 HA TYR 30 HA TYR 30 6.669 -7.693 5.276 216 1HB TYR 30 2HB TYR 30 4.617 -9.850 5.239 217 2HB TYR 30 1HB TYR 30 6.292 -10.283 4.922 218 HD1 TYR 30 1HD TYR 30 3.975 -8.882 7.416 219 HD2 TYR 30 2HD TYR 30 7.926 -10.273 6.676 220 HE1 TYR 30 1HE TYR 30 4.411 -8.907 9.834 221 HE2 TYR 30 2HE TYR 30 8.375 -10.303 9.094 222 HH TYR 30 HH TYR 30 7.206 -8.863 11.200 223 H TYR 31 H TYR 31 4.854 -7.199 2.588 224 HA TYR 31 HA TYR 31 6.525 -8.825 0.826 225 1HB TYR 31 2HB TYR 31 3.932 -7.437 0.558 226 2HB TYR 31 1HB TYR 31 4.941 -7.454 -0.882 227 HD1 TYR 31 1HD TYR 31 3.004 -9.497 1.461 228 HD2 TYR 31 2HD TYR 31 5.425 -9.532 -2.037 229 HE1 TYR 31 1HE TYR 31 2.243 -11.782 0.964 230 HE2 TYR 31 2HE TYR 31 4.670 -11.817 -2.544 231 HH TYR 31 HH TYR 31 3.043 -13.755 -0.308 232 H CYS 32 H CYS 32 5.533 -5.409 1.068 233 HA CYS 32 HA CYS 32 7.387 -4.419 -0.779 234 1HB CYS 32 2HB CYS 32 5.339 -3.311 0.559 235 2HB CYS 32 1HB CYS 32 6.672 -2.686 1.523 236 H SER 33 H SER 33 9.488 -4.917 -0.614 237 HA SER 33 HA SER 33 11.582 -5.221 0.251 238 1HB SER 33 2HB SER 33 10.659 -2.528 0.854 239 2HB SER 33 1HB SER 33 11.898 -3.066 1.988 240 HG SER 33 HG SER 33 12.052 -2.834 -0.823 241 H HIS 34 H HIS 34 12.826 -4.705 2.598 242 HA HIS 34 HA HIS 34 11.391 -6.464 4.464 243 1HB HIS 34 2HB HIS 34 14.350 -5.854 4.286 244 2HB HIS 34 1HB HIS 34 13.601 -6.984 5.409 245 HD1 HIS 34 1HD HIS 34 13.496 -6.549 1.619 246 HD2 HIS 34 2HD HIS 34 13.954 -9.498 4.511 247 HE1 HIS 34 1HE HIS 34 13.787 -8.699 0.347 248 HE2 HIS 34 2HE HIS 34 14.162 -10.453 2.117 249 H ARG 35 H ARG 35 10.206 -4.389 5.005 250 HA ARG 35 HA ARG 35 11.654 -2.449 6.571 251 1HB ARG 35 2HB ARG 35 9.615 -1.969 5.121 252 2HB ARG 35 1HB ARG 35 8.658 -2.739 6.379 253 1HG ARG 35 2HG ARG 35 9.491 -1.083 7.995 254 2HG ARG 35 1HG ARG 35 10.384 -0.292 6.695 255 1HD ARG 35 2HD ARG 35 8.544 0.698 5.872 256 2HD ARG 35 1HD ARG 35 7.548 -0.738 6.112 257 HE ARG 35 HE ARG 35 8.041 0.339 8.621 258 1HH1 ARG 35 1HH1 ARG 35 6.428 1.283 5.674 259 2HH1 ARG 35 2HH1 ARG 35 5.273 2.290 6.482 260 1HH2 ARG 35 1HH2 ARG 35 6.525 1.663 9.685 261 2HH2 ARG 35 2HH2 ARG 35 5.328 2.506 8.759 262 H ILE 36 H ILE 36 11.900 -2.401 8.722 263 HA ILE 36 HA ILE 36 10.643 -4.555 10.278 264 HB ILE 36 HB ILE 36 13.107 -4.528 10.274 265 1HG1 ILE 36 2HG1 ILE 36 13.169 -4.047 12.964 266 2HG1 ILE 36 1HG1 ILE 36 11.445 -4.278 12.693 267 1HG2 ILE 36 1HG2 ILE 36 14.238 -2.693 11.580 268 2HG2 ILE 36 2HG2 ILE 36 12.732 -1.785 11.448 269 3HG2 ILE 36 3HG2 ILE 36 13.622 -2.235 9.993 270 1HD1 ILE 36 1HD1 ILE 36 11.703 -6.469 12.557 271 2HD1 ILE 36 2HD1 ILE 36 13.383 -6.242 13.042 272 3HD1 ILE 36 3HD1 ILE 36 12.959 -6.303 11.331 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -10.028 11.054 -0.207 2 2H GLY 1 2HT GLY 1 -8.442 10.818 0.330 3 3H GLY 1 3HT GLY 1 -8.917 10.234 -1.185 4 1HA GLY 1 1HA GLY 1 -7.990 12.097 -1.972 5 2HA GLY 1 2HA GLY 1 -9.515 12.814 -1.475 6 H SER 2 H SER 2 -6.831 14.002 -1.659 7 HA SER 2 HA SER 2 -5.535 15.482 -0.516 8 1HB SER 2 2HB SER 2 -8.097 15.477 0.984 9 2HB SER 2 1HB SER 2 -6.706 16.184 1.805 10 HG SER 2 HG SER 2 -6.453 17.599 0.072 11 H LEU 3 H LEU 3 -4.392 15.843 1.655 12 HA LEU 3 HA LEU 3 -3.156 13.406 2.407 13 1HB LEU 3 2HB LEU 3 -1.948 14.784 4.065 14 2HB LEU 3 1HB LEU 3 -1.891 15.446 2.442 15 HG LEU 3 HG LEU 3 -4.068 16.481 4.142 16 1HD1 LEU 3 1HD1 LEU 3 -1.230 16.628 4.942 17 2HD1 LEU 3 2HD1 LEU 3 -2.694 16.736 5.918 18 3HD1 LEU 3 3HD1 LEU 3 -2.145 18.135 4.996 19 1HD2 LEU 3 1HD2 LEU 3 -2.293 17.364 1.963 20 2HD2 LEU 3 2HD2 LEU 3 -2.759 18.604 3.127 21 3HD2 LEU 3 3HD2 LEU 3 -3.999 17.707 2.251 22 H LEU 4 H LEU 4 -2.812 13.032 4.902 23 HA LEU 4 HA LEU 4 -3.697 12.212 6.828 24 1HB LEU 4 2HB LEU 4 -4.749 14.806 6.495 25 2HB LEU 4 1HB LEU 4 -6.087 13.804 7.024 26 HG LEU 4 HG LEU 4 -5.082 14.777 8.960 27 1HD1 LEU 4 1HD1 LEU 4 -5.567 12.155 8.729 28 2HD1 LEU 4 2HD1 LEU 4 -5.019 12.907 10.226 29 3HD1 LEU 4 3HD1 LEU 4 -3.861 12.098 9.171 30 1HD2 LEU 4 1HD2 LEU 4 -2.563 14.022 7.600 31 2HD2 LEU 4 2HD2 LEU 4 -2.587 13.934 9.361 32 3HD2 LEU 4 3HD2 LEU 4 -2.957 15.455 8.550 33 H LYS 5 H LYS 5 -4.525 11.087 4.280 34 HA LYS 5 HA LYS 5 -6.568 9.361 5.209 35 1HB LYS 5 2HB LYS 5 -7.378 11.716 3.662 36 2HB LYS 5 1HB LYS 5 -7.958 10.200 2.987 37 1HG LYS 5 2HG LYS 5 -8.319 10.427 5.880 38 2HG LYS 5 1HG LYS 5 -9.197 11.635 4.942 39 1HD LYS 5 2HD LYS 5 -10.728 10.123 4.386 40 2HD LYS 5 1HD LYS 5 -9.484 9.102 3.662 41 1HE LYS 5 2HE LYS 5 -9.007 8.190 5.928 42 2HE LYS 5 1HE LYS 5 -10.375 9.115 6.543 43 1HZ LYS 5 1HZ LYS 5 -11.525 7.824 4.526 44 2HZ LYS 5 2HZ LYS 5 -11.466 7.215 6.102 45 3HZ LYS 5 3HZ LYS 5 -10.345 6.688 4.951 46 HA PRO 6 HA PRO 6 -4.642 6.872 2.111 47 1HB PRO 6 2HB PRO 6 -6.507 4.935 1.792 48 2HB PRO 6 1HB PRO 6 -5.496 5.056 3.237 49 1HG PRO 6 2HG PRO 6 -8.317 5.970 2.817 50 2HG PRO 6 1HG PRO 6 -7.609 5.127 4.207 51 1HD PRO 6 2HD PRO 6 -8.052 7.801 4.188 52 2HD PRO 6 1HD PRO 6 -6.710 7.059 5.081 53 H ALA 7 H ALA 7 -4.724 6.323 -0.098 54 HA ALA 7 HA ALA 7 -7.039 6.847 -1.700 55 1HB ALA 7 1HB ALA 7 -6.587 8.863 -2.608 56 2HB ALA 7 2HB ALA 7 -4.842 8.620 -2.545 57 3HB ALA 7 3HB ALA 7 -5.716 9.110 -1.094 58 H ARG 8 H ARG 8 -6.898 5.906 -3.694 59 HA ARG 8 HA ARG 8 -6.117 4.572 -5.361 60 1HB ARG 8 2HB ARG 8 -4.344 6.568 -5.264 61 2HB ARG 8 1HB ARG 8 -3.274 5.250 -4.805 62 1HG ARG 8 2HG ARG 8 -2.997 4.855 -6.966 63 2HG ARG 8 1HG ARG 8 -4.661 4.268 -6.996 64 1HD ARG 8 2HD ARG 8 -5.335 6.006 -8.212 65 2HD ARG 8 1HD ARG 8 -4.561 7.155 -7.122 66 HE ARG 8 HE ARG 8 -3.539 6.176 -9.621 67 1HH1 ARG 8 1HH1 ARG 8 -2.677 7.534 -6.522 68 2HH1 ARG 8 2HH1 ARG 8 -1.173 8.181 -7.083 69 1HH2 ARG 8 1HH2 ARG 8 -1.557 7.025 -10.360 70 2HH2 ARG 8 2HH2 ARG 8 -0.535 7.891 -9.262 71 H PHE 9 H PHE 9 -5.968 2.431 -5.308 72 HA PHE 9 HA PHE 9 -4.464 1.195 -3.105 73 1HB PHE 9 2HB PHE 9 -5.918 -0.866 -3.998 74 2HB PHE 9 1HB PHE 9 -6.536 0.280 -2.815 75 HD1 PHE 9 1HD PHE 9 -8.708 0.891 -3.152 76 HD2 PHE 9 2HD PHE 9 -6.249 0.134 -6.542 77 HE1 PHE 9 1HE PHE 9 -10.603 1.402 -4.635 78 HE2 PHE 9 2HE PHE 9 -8.139 0.645 -8.032 79 HZ PHE 9 HZ PHE 9 -10.319 1.280 -7.079 80 H MET 10 H MET 10 -2.555 1.671 -4.518 81 HA MET 10 HA MET 10 -1.746 -0.710 -5.842 82 1HB MET 10 2HB MET 10 -3.076 0.427 -7.631 83 2HB MET 10 1HB MET 10 -1.959 1.782 -7.542 84 1HG MET 10 2HG MET 10 -0.630 -0.784 -7.909 85 2HG MET 10 1HG MET 10 -1.747 -0.379 -9.211 86 1HE MET 10 1HE MET 10 1.244 -0.908 -9.475 87 2HE MET 10 2HE MET 10 2.039 0.443 -10.284 88 3HE MET 10 3HE MET 10 0.578 -0.263 -10.975 89 H CYS 11 H CYS 11 0.385 -0.923 -5.637 90 HA CYS 11 HA CYS 11 1.883 1.219 -4.395 91 1HB CYS 11 2HB CYS 11 1.949 -1.424 -3.979 92 2HB CYS 11 1HB CYS 11 3.217 -1.320 -5.195 93 H LEU 12 H LEU 12 2.002 2.722 -6.095 94 HA LEU 12 HA LEU 12 2.801 2.320 -8.694 95 1HB LEU 12 2HB LEU 12 3.849 4.713 -7.243 96 2HB LEU 12 1HB LEU 12 3.194 4.595 -8.863 97 HG LEU 12 HG LEU 12 1.603 4.518 -6.298 98 1HD1 LEU 12 1HD1 LEU 12 0.661 6.604 -7.712 99 2HD1 LEU 12 2HD1 LEU 12 2.357 6.636 -8.196 100 3HD1 LEU 12 3HD1 LEU 12 1.925 6.735 -6.489 101 1HD2 LEU 12 1HD2 LEU 12 0.955 3.773 -9.062 102 2HD2 LEU 12 2HD2 LEU 12 -0.186 4.885 -8.305 103 3HD2 LEU 12 3HD2 LEU 12 0.164 3.331 -7.549 104 HA PRO 13 HA PRO 13 7.401 2.623 -7.456 105 1HB PRO 13 2HB PRO 13 7.739 2.567 -4.610 106 2HB PRO 13 1HB PRO 13 8.060 3.904 -5.713 107 1HG PRO 13 2HG PRO 13 6.069 3.886 -3.801 108 2HG PRO 13 1HG PRO 13 6.079 4.920 -5.240 109 1HD PRO 13 2HD PRO 13 4.622 2.351 -4.757 110 2HD PRO 13 1HD PRO 13 4.079 3.813 -5.607 111 H CYS 14 H CYS 14 5.974 0.320 -7.827 112 HA CYS 14 HA CYS 14 7.725 -1.649 -6.693 113 1HB CYS 14 2HB CYS 14 5.155 -1.126 -5.486 114 2HB CYS 14 1HB CYS 14 5.211 -2.761 -6.128 115 H GLY 15 H GLY 15 4.740 -1.014 -8.480 116 1HA GLY 15 2HA GLY 15 4.276 -1.649 -10.669 117 2HA GLY 15 1HA GLY 15 5.662 -2.721 -10.612 118 H ILE 16 H ILE 16 3.156 -2.690 -8.171 119 HA ILE 16 HA ILE 16 1.973 -5.125 -9.289 120 HB ILE 16 HB ILE 16 2.783 -4.982 -6.390 121 1HG1 ILE 16 2HG1 ILE 16 4.185 -6.460 -8.628 122 2HG1 ILE 16 1HG1 ILE 16 4.785 -4.992 -7.862 123 1HG2 ILE 16 1HG2 ILE 16 0.901 -6.520 -7.529 124 2HG2 ILE 16 2HG2 ILE 16 1.872 -7.033 -6.149 125 3HG2 ILE 16 3HG2 ILE 16 2.317 -7.543 -7.777 126 1HD1 ILE 16 1HD1 ILE 16 5.258 -7.637 -7.101 127 2HD1 ILE 16 2HD1 ILE 16 4.189 -6.964 -5.870 128 3HD1 ILE 16 3HD1 ILE 16 5.720 -6.169 -6.241 129 H ALA 17 H ALA 17 -0.007 -4.227 -9.649 130 HA ALA 17 HA ALA 17 -1.311 -2.641 -7.599 131 1HB ALA 17 1HB ALA 17 -2.515 -3.609 -10.185 132 2HB ALA 17 2HB ALA 17 -1.498 -2.173 -10.072 133 3HB ALA 17 3HB ALA 17 -3.025 -2.244 -9.191 134 H PHE 18 H PHE 18 -2.531 -3.487 -6.026 135 HA PHE 18 HA PHE 18 -3.184 -6.291 -6.085 136 1HB PHE 18 2HB PHE 18 -3.195 -4.110 -4.056 137 2HB PHE 18 1HB PHE 18 -4.201 -5.518 -3.772 138 HD1 PHE 18 1HD PHE 18 -3.239 -7.651 -3.234 139 HD2 PHE 18 2HD PHE 18 -0.766 -4.323 -4.193 140 HE1 PHE 18 1HE PHE 18 -1.271 -8.877 -2.406 141 HE2 PHE 18 2HE PHE 18 1.204 -5.542 -3.367 142 HZ PHE 18 HZ PHE 18 0.955 -7.822 -2.475 143 H SER 19 H SER 19 -5.351 -3.874 -4.686 144 HA SER 19 HA SER 19 -7.280 -3.723 -6.662 145 1HB SER 19 2HB SER 19 -7.363 -6.253 -5.120 146 2HB SER 19 1HB SER 19 -8.906 -5.435 -5.357 147 HG SER 19 HG SER 19 -8.708 -6.653 -7.136 148 H SER 20 H SER 20 -6.707 -4.051 -3.200 149 HA SER 20 HA SER 20 -8.453 -1.767 -2.770 150 1HB SER 20 2HB SER 20 -8.848 -4.484 -1.717 151 2HB SER 20 1HB SER 20 -8.955 -3.207 -0.505 152 HG SER 20 HG SER 20 -10.707 -3.876 -2.463 153 HA PRO 21 HA PRO 21 -5.415 -0.176 -0.019 154 1HB PRO 21 2HB PRO 21 -6.829 0.523 2.219 155 2HB PRO 21 1HB PRO 21 -6.829 1.460 0.722 156 1HG PRO 21 2HG PRO 21 -8.841 -0.517 1.720 157 2HG PRO 21 1HG PRO 21 -9.105 1.050 0.932 158 1HD PRO 21 2HD PRO 21 -9.339 -1.268 -0.409 159 2HD PRO 21 1HD PRO 21 -8.698 0.197 -1.181 160 H SER 22 H SER 22 -7.706 -2.139 1.896 161 HA SER 22 HA SER 22 -6.012 -2.855 3.961 162 1HB SER 22 2HB SER 22 -8.490 -3.957 2.790 163 2HB SER 22 1HB SER 22 -7.525 -5.107 3.715 164 HG SER 22 HG SER 22 -7.733 -3.853 5.504 165 H THR 23 H THR 23 -6.365 -4.328 0.768 166 HA THR 23 HA THR 23 -4.756 -6.582 1.226 167 HB THR 23 HB THR 23 -4.684 -5.317 -1.462 168 HG1 THR 23 1HG THR 23 -7.066 -6.266 -0.255 169 1HG2 THR 23 1HG2 THR 23 -5.136 -7.505 -2.264 170 2HG2 THR 23 2HG2 THR 23 -5.552 -8.075 -0.648 171 3HG2 THR 23 3HG2 THR 23 -3.886 -7.635 -1.026 172 H LEU 24 H LEU 24 -3.977 -3.314 0.171 173 HA LEU 24 HA LEU 24 -1.275 -3.688 -0.420 174 1HB LEU 24 2HB LEU 24 -2.183 -1.179 0.916 175 2HB LEU 24 1HB LEU 24 -1.084 -1.388 -0.426 176 HG LEU 24 HG LEU 24 -4.086 -1.530 -0.500 177 1HD1 LEU 24 1HD1 LEU 24 -2.725 0.204 -2.384 178 2HD1 LEU 24 2HD1 LEU 24 -2.366 0.620 -0.708 179 3HD1 LEU 24 3HD1 LEU 24 -4.039 0.559 -1.263 180 1HD2 LEU 24 1HD2 LEU 24 -2.966 -3.273 -1.925 181 2HD2 LEU 24 2HD2 LEU 24 -2.213 -1.952 -2.818 182 3HD2 LEU 24 3HD2 LEU 24 -3.969 -2.116 -2.800 183 H GLU 25 H GLU 25 -2.926 -2.904 2.583 184 HA GLU 25 HA GLU 25 -0.808 -2.442 4.270 185 1HB GLU 25 2HB GLU 25 -3.455 -2.619 4.636 186 2HB GLU 25 1HB GLU 25 -2.985 -4.163 5.333 187 1HG GLU 25 2HG GLU 25 -1.249 -2.689 6.632 188 2HG GLU 25 1HG GLU 25 -2.389 -1.398 6.256 189 H ALA 26 H ALA 26 -2.005 -5.496 3.084 190 HA ALA 26 HA ALA 26 -0.390 -7.113 4.729 191 1HB ALA 26 1HB ALA 26 -2.539 -7.620 3.180 192 2HB ALA 26 2HB ALA 26 -1.444 -8.869 3.772 193 3HB ALA 26 3HB ALA 26 -1.245 -8.223 2.143 194 H HIS 27 H HIS 27 -0.075 -5.622 1.609 195 HA HIS 27 HA HIS 27 2.326 -6.968 0.838 196 1HB HIS 27 2HB HIS 27 0.989 -6.051 -0.909 197 2HB HIS 27 1HB HIS 27 0.903 -4.484 -0.122 198 HD1 HIS 27 1HD HIS 27 3.350 -6.654 -2.042 199 HD2 HIS 27 2HD HIS 27 2.855 -2.727 -0.784 200 HE1 HIS 27 1HE HIS 27 5.155 -5.308 -3.191 201 H GLN 28 H GLN 28 1.595 -3.692 1.979 202 HA GLN 28 HA GLN 28 4.246 -2.829 2.284 203 1HB GLN 28 2HB GLN 28 1.631 -1.829 2.845 204 2HB GLN 28 1HB GLN 28 2.618 -1.603 4.282 205 1HG GLN 28 2HG GLN 28 3.767 -0.809 1.666 206 2HG GLN 28 1HG GLN 28 2.500 0.201 2.362 207 1HE2 GLN 28 1HE2 GLN 28 4.545 1.621 2.184 208 2HE2 GLN 28 2HE2 GLN 28 5.499 1.721 3.620 209 H ALA 29 H ALA 29 2.342 -5.020 4.126 210 HA ALA 29 HA ALA 29 3.551 -4.716 6.654 211 1HB ALA 29 1HB ALA 29 1.777 -6.650 5.348 212 2HB ALA 29 2HB ALA 29 1.705 -5.949 6.964 213 3HB ALA 29 3HB ALA 29 2.774 -7.314 6.643 214 H TYR 30 H TYR 30 4.096 -7.317 4.238 215 HA TYR 30 HA TYR 30 6.890 -7.402 5.140 216 1HB TYR 30 2HB TYR 30 4.896 -9.617 5.150 217 2HB TYR 30 1HB TYR 30 6.574 -9.999 4.787 218 HD1 TYR 30 1HD TYR 30 4.218 -8.952 7.361 219 HD2 TYR 30 2HD TYR 30 8.317 -9.685 6.488 220 HE1 TYR 30 1HE TYR 30 4.718 -8.986 9.768 221 HE2 TYR 30 2HE TYR 30 8.828 -9.724 8.893 222 HH TYR 30 HH TYR 30 7.493 -8.546 11.079 223 H TYR 31 H TYR 31 4.977 -6.916 2.542 224 HA TYR 31 HA TYR 31 6.614 -8.475 0.686 225 1HB TYR 31 2HB TYR 31 4.154 -6.788 0.188 226 2HB TYR 31 1HB TYR 31 5.013 -7.704 -1.043 227 HD1 TYR 31 1HD TYR 31 3.575 -8.332 2.358 228 HD2 TYR 31 2HD TYR 31 4.070 -9.711 -1.637 229 HE1 TYR 31 1HE TYR 31 2.212 -10.312 2.878 230 HE2 TYR 31 2HE TYR 31 2.707 -11.693 -1.127 231 HH TYR 31 HH TYR 31 0.939 -12.340 0.522 232 H CYS 32 H CYS 32 5.583 -5.098 1.158 233 HA CYS 32 HA CYS 32 7.326 -4.038 -0.806 234 1HB CYS 32 2HB CYS 32 5.237 -3.013 0.526 235 2HB CYS 32 1HB CYS 32 6.536 -2.329 1.496 236 H SER 33 H SER 33 9.311 -5.143 -0.286 237 HA SER 33 HA SER 33 11.481 -5.027 0.410 238 1HB SER 33 2HB SER 33 10.693 -2.451 0.741 239 2HB SER 33 1HB SER 33 11.089 -2.879 2.405 240 HG SER 33 HG SER 33 12.745 -2.316 0.382 241 H HIS 34 H HIS 34 12.787 -5.085 2.585 242 HA HIS 34 HA HIS 34 11.475 -7.071 4.219 243 1HB HIS 34 2HB HIS 34 14.250 -6.085 3.855 244 2HB HIS 34 1HB HIS 34 13.853 -6.752 5.435 245 HD1 HIS 34 1HD HIS 34 13.572 -7.786 1.783 246 HD2 HIS 34 2HD HIS 34 14.118 -9.441 5.555 247 HE1 HIS 34 1HE HIS 34 13.960 -10.240 1.390 248 HE2 HIS 34 2HE HIS 34 14.370 -11.206 3.681 249 H ARG 35 H ARG 35 9.842 -5.682 5.141 250 HA ARG 35 HA ARG 35 10.531 -3.460 6.781 251 1HB ARG 35 2HB ARG 35 7.999 -5.096 6.923 252 2HB ARG 35 1HB ARG 35 8.222 -3.427 7.431 253 1HG ARG 35 2HG ARG 35 8.421 -4.403 4.590 254 2HG ARG 35 1HG ARG 35 7.000 -3.639 5.306 255 1HD ARG 35 2HD ARG 35 9.730 -2.374 5.085 256 2HD ARG 35 1HD ARG 35 8.379 -2.065 3.994 257 HE ARG 35 HE ARG 35 7.672 -1.590 6.713 258 1HH1 ARG 35 1HH1 ARG 35 9.346 -0.204 3.983 259 2HH1 ARG 35 2HH1 ARG 35 9.104 1.429 4.504 260 1HH2 ARG 35 1HH2 ARG 35 7.350 0.558 7.399 261 2HH2 ARG 35 2HH2 ARG 35 7.972 1.862 6.444 262 H ILE 36 H ILE 36 10.572 -3.296 9.030 263 HA ILE 36 HA ILE 36 10.794 -5.852 10.483 264 HB ILE 36 HB ILE 36 13.023 -4.885 10.129 265 1HG1 ILE 36 2HG1 ILE 36 12.402 -4.433 13.028 266 2HG1 ILE 36 1HG1 ILE 36 12.202 -6.038 12.331 267 1HG2 ILE 36 1HG2 ILE 36 13.634 -2.762 11.197 268 2HG2 ILE 36 2HG2 ILE 36 11.948 -2.513 11.649 269 3HG2 ILE 36 3HG2 ILE 36 12.409 -2.544 9.947 270 1HD1 ILE 36 1HD1 ILE 36 14.368 -6.421 12.516 271 2HD1 ILE 36 2HD1 ILE 36 14.546 -4.860 13.315 272 3HD1 ILE 36 3HD1 ILE 36 14.741 -4.983 11.566 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -9.677 10.911 1.162 2 2H GLY 1 2HT GLY 1 -9.916 12.126 2.313 3 3H GLY 1 3HT GLY 1 -8.352 11.578 1.975 4 1HA GLY 1 1HA GLY 1 -9.055 12.326 -0.459 5 2HA GLY 1 2HA GLY 1 -10.043 13.428 0.488 6 H SER 2 H SER 2 -7.506 13.640 -1.241 7 HA SER 2 HA SER 2 -5.677 14.987 -1.315 8 1HB SER 2 2HB SER 2 -7.280 16.142 0.898 9 2HB SER 2 1HB SER 2 -5.585 16.622 0.828 10 HG SER 2 HG SER 2 -7.228 17.886 -0.425 11 H LEU 3 H LEU 3 -5.886 14.791 2.221 12 HA LEU 3 HA LEU 3 -3.616 12.951 2.270 13 1HB LEU 3 2HB LEU 3 -2.415 14.351 3.894 14 2HB LEU 3 1HB LEU 3 -2.573 15.129 2.330 15 HG LEU 3 HG LEU 3 -4.638 15.772 4.362 16 1HD1 LEU 3 1HD1 LEU 3 -1.756 16.279 4.720 17 2HD1 LEU 3 2HD1 LEU 3 -3.051 16.180 5.912 18 3HD1 LEU 3 3HD1 LEU 3 -2.826 17.658 4.976 19 1HD2 LEU 3 1HD2 LEU 3 -3.515 16.882 1.919 20 2HD2 LEU 3 2HD2 LEU 3 -3.664 18.077 3.207 21 3HD2 LEU 3 3HD2 LEU 3 -5.080 17.168 2.680 22 H LEU 4 H LEU 4 -3.060 12.693 4.820 23 HA LEU 4 HA LEU 4 -3.728 11.897 6.844 24 1HB LEU 4 2HB LEU 4 -5.480 14.010 6.338 25 2HB LEU 4 1HB LEU 4 -6.520 12.678 6.803 26 HG LEU 4 HG LEU 4 -6.001 13.956 8.762 27 1HD1 LEU 4 1HD1 LEU 4 -5.735 11.288 8.612 28 2HD1 LEU 4 2HD1 LEU 4 -5.585 12.201 10.113 29 3HD1 LEU 4 3HD1 LEU 4 -4.139 11.719 9.226 30 1HD2 LEU 4 1HD2 LEU 4 -3.268 13.886 7.640 31 2HD2 LEU 4 2HD2 LEU 4 -3.406 13.800 9.396 32 3HD2 LEU 4 3HD2 LEU 4 -4.103 15.165 8.522 33 H LYS 5 H LYS 5 -6.670 11.717 4.826 34 HA LYS 5 HA LYS 5 -6.833 8.857 5.471 35 1HB LYS 5 2HB LYS 5 -8.792 10.979 5.168 36 2HB LYS 5 1HB LYS 5 -9.188 9.587 4.170 37 1HG LYS 5 2HG LYS 5 -8.553 8.388 6.522 38 2HG LYS 5 1HG LYS 5 -9.262 9.906 7.078 39 1HD LYS 5 2HD LYS 5 -11.253 9.470 5.722 40 2HD LYS 5 1HD LYS 5 -10.542 7.954 5.165 41 1HE LYS 5 2HE LYS 5 -10.359 7.436 7.716 42 2HE LYS 5 1HE LYS 5 -11.602 8.677 7.863 43 1HZ LYS 5 1HZ LYS 5 -12.713 7.259 5.982 44 2HZ LYS 5 2HZ LYS 5 -12.884 6.828 7.608 45 3HZ LYS 5 3HZ LYS 5 -11.760 6.023 6.635 46 HA PRO 6 HA PRO 6 -5.169 8.408 1.252 47 1HB PRO 6 2HB PRO 6 -5.646 5.569 2.014 48 2HB PRO 6 1HB PRO 6 -4.213 6.317 1.302 49 1HG PRO 6 2HG PRO 6 -4.248 5.635 3.873 50 2HG PRO 6 1HG PRO 6 -3.463 7.132 3.339 51 1HD PRO 6 2HD PRO 6 -6.096 6.748 4.696 52 2HD PRO 6 1HD PRO 6 -4.902 8.047 4.894 53 H ALA 7 H ALA 7 -5.935 6.856 -0.583 54 HA ALA 7 HA ALA 7 -8.580 5.895 -0.613 55 1HB ALA 7 1HB ALA 7 -9.307 7.772 -2.333 56 2HB ALA 7 2HB ALA 7 -8.194 8.741 -1.368 57 3HB ALA 7 3HB ALA 7 -9.568 7.949 -0.598 58 H ARG 8 H ARG 8 -6.029 5.041 -1.492 59 HA ARG 8 HA ARG 8 -6.660 4.502 -4.285 60 1HB ARG 8 2HB ARG 8 -4.324 6.058 -3.345 61 2HB ARG 8 1HB ARG 8 -3.992 4.823 -4.551 62 1HG ARG 8 2HG ARG 8 -5.509 5.826 -6.099 63 2HG ARG 8 1HG ARG 8 -6.086 6.958 -4.874 64 1HD ARG 8 2HD ARG 8 -4.558 8.107 -6.325 65 2HD ARG 8 1HD ARG 8 -3.797 7.906 -4.748 66 HE ARG 8 HE ARG 8 -2.972 5.747 -6.221 67 1HH1 ARG 8 1HH1 ARG 8 -2.785 9.216 -6.565 68 2HH1 ARG 8 2HH1 ARG 8 -1.297 9.173 -7.451 69 1HH2 ARG 8 1HH2 ARG 8 -1.016 5.690 -7.387 70 2HH2 ARG 8 2HH2 ARG 8 -0.293 7.171 -7.918 71 H PHE 9 H PHE 9 -5.123 2.799 -5.178 72 HA PHE 9 HA PHE 9 -3.927 1.072 -3.174 73 1HB PHE 9 2HB PHE 9 -5.259 -0.897 -4.273 74 2HB PHE 9 1HB PHE 9 -6.004 0.058 -2.997 75 HD1 PHE 9 1HD PHE 9 -7.815 1.583 -3.477 76 HD2 PHE 9 2HD PHE 9 -6.015 -0.725 -6.564 77 HE1 PHE 9 1HE PHE 9 -9.709 2.097 -4.960 78 HE2 PHE 9 2HE PHE 9 -7.905 -0.214 -8.054 79 HZ PHE 9 HZ PHE 9 -9.755 1.200 -7.253 80 H MET 10 H MET 10 -2.047 1.727 -4.391 81 HA MET 10 HA MET 10 -1.376 -0.158 -6.429 82 1HB MET 10 2HB MET 10 -2.271 2.526 -7.196 83 2HB MET 10 1HB MET 10 -0.697 2.098 -7.853 84 1HG MET 10 2HG MET 10 -1.540 0.505 -9.214 85 2HG MET 10 1HG MET 10 -2.829 0.071 -8.093 86 1HE MET 10 1HE MET 10 -1.883 1.119 -11.129 87 2HE MET 10 2HE MET 10 -2.245 2.835 -11.317 88 3HE MET 10 3HE MET 10 -3.395 1.623 -11.883 89 H CYS 11 H CYS 11 0.676 -0.670 -6.054 90 HA CYS 11 HA CYS 11 2.361 1.192 -4.572 91 1HB CYS 11 2HB CYS 11 2.072 -1.370 -4.104 92 2HB CYS 11 1HB CYS 11 3.256 -1.548 -5.393 93 H LEU 12 H LEU 12 2.855 2.709 -6.139 94 HA LEU 12 HA LEU 12 3.663 2.312 -8.738 95 1HB LEU 12 2HB LEU 12 5.002 4.427 -7.108 96 2HB LEU 12 1HB LEU 12 4.415 4.503 -8.757 97 HG LEU 12 HG LEU 12 2.088 4.128 -7.367 98 1HD1 LEU 12 1HD1 LEU 12 3.307 6.259 -5.744 99 2HD1 LEU 12 2HD1 LEU 12 3.803 4.613 -5.344 100 3HD1 LEU 12 3HD1 LEU 12 2.095 5.051 -5.316 101 1HD2 LEU 12 1HD2 LEU 12 3.518 6.455 -8.521 102 2HD2 LEU 12 2HD2 LEU 12 2.095 6.783 -7.534 103 3HD2 LEU 12 3HD2 LEU 12 1.962 5.749 -8.956 104 HA PRO 13 HA PRO 13 8.290 2.085 -7.231 105 1HB PRO 13 2HB PRO 13 8.619 1.056 -4.711 106 2HB PRO 13 1HB PRO 13 8.618 2.781 -5.087 107 1HG PRO 13 2HG PRO 13 6.417 1.075 -4.006 108 2HG PRO 13 1HG PRO 13 6.883 2.725 -3.554 109 1HD PRO 13 2HD PRO 13 4.777 2.217 -5.148 110 2HD PRO 13 1HD PRO 13 5.781 3.663 -5.354 111 H CYS 14 H CYS 14 5.753 -0.147 -6.877 112 HA CYS 14 HA CYS 14 7.611 -2.397 -7.240 113 1HB CYS 14 2HB CYS 14 4.983 -2.178 -5.819 114 2HB CYS 14 1HB CYS 14 5.493 -3.722 -6.482 115 H GLY 15 H GLY 15 4.762 -0.733 -8.377 116 1HA GLY 15 2HA GLY 15 3.836 -0.732 -10.482 117 2HA GLY 15 1HA GLY 15 5.028 -1.928 -10.950 118 H ILE 16 H ILE 16 2.850 -2.286 -8.233 119 HA ILE 16 HA ILE 16 1.300 -4.277 -9.748 120 HB ILE 16 HB ILE 16 2.157 -4.673 -6.882 121 1HG1 ILE 16 2HG1 ILE 16 3.283 -6.129 -9.272 122 2HG1 ILE 16 1HG1 ILE 16 4.051 -4.693 -8.602 123 1HG2 ILE 16 1HG2 ILE 16 0.483 -6.154 -8.815 124 2HG2 ILE 16 2HG2 ILE 16 0.363 -6.041 -7.060 125 3HG2 ILE 16 3HG2 ILE 16 1.553 -7.116 -7.795 126 1HD1 ILE 16 1HD1 ILE 16 4.858 -7.032 -7.870 127 2HD1 ILE 16 2HD1 ILE 16 3.424 -7.021 -6.843 128 3HD1 ILE 16 3HD1 ILE 16 4.654 -5.771 -6.654 129 H ALA 17 H ALA 17 -0.682 -3.430 -9.857 130 HA ALA 17 HA ALA 17 -1.728 -1.777 -7.719 131 1HB ALA 17 1HB ALA 17 -2.109 -1.191 -10.082 132 2HB ALA 17 2HB ALA 17 -3.615 -1.395 -9.189 133 3HB ALA 17 3HB ALA 17 -3.057 -2.665 -10.278 134 H PHE 18 H PHE 18 -2.679 -2.643 -5.996 135 HA PHE 18 HA PHE 18 -3.727 -5.336 -6.079 136 1HB PHE 18 2HB PHE 18 -3.023 -3.346 -3.994 137 2HB PHE 18 1HB PHE 18 -4.246 -4.534 -3.586 138 HD1 PHE 18 1HD PHE 18 -3.683 -6.912 -3.473 139 HD2 PHE 18 2HD PHE 18 -0.733 -3.960 -4.307 140 HE1 PHE 18 1HE PHE 18 -1.912 -8.548 -2.984 141 HE2 PHE 18 2HE PHE 18 1.043 -5.591 -3.819 142 HZ PHE 18 HZ PHE 18 0.455 -7.889 -3.158 143 H SER 19 H SER 19 -5.859 -5.915 -5.790 144 HA SER 19 HA SER 19 -7.804 -3.895 -6.502 145 1HB SER 19 2HB SER 19 -7.551 -6.512 -7.183 146 2HB SER 19 1HB SER 19 -8.758 -6.621 -5.901 147 HG SER 19 HG SER 19 -8.970 -5.587 -8.433 148 H SER 20 H SER 20 -6.579 -3.989 -3.711 149 HA SER 20 HA SER 20 -8.992 -3.390 -2.333 150 1HB SER 20 2HB SER 20 -7.861 -6.068 -2.060 151 2HB SER 20 1HB SER 20 -8.060 -5.246 -0.513 152 HG SER 20 HG SER 20 -10.121 -5.352 -2.445 153 HA PRO 21 HA PRO 21 -6.122 -0.831 -0.137 154 1HB PRO 21 2HB PRO 21 -8.048 -0.714 2.075 155 2HB PRO 21 1HB PRO 21 -7.502 0.574 0.999 156 1HG PRO 21 2HG PRO 21 -9.993 -0.443 0.866 157 2HG PRO 21 1HG PRO 21 -9.128 0.135 -0.569 158 1HD PRO 21 2HD PRO 21 -9.540 -2.672 0.394 159 2HD PRO 21 1HD PRO 21 -9.621 -2.023 -1.258 160 H SER 22 H SER 22 -7.855 -3.222 1.864 161 HA SER 22 HA SER 22 -6.014 -3.331 3.969 162 1HB SER 22 2HB SER 22 -8.417 -4.549 3.413 163 2HB SER 22 1HB SER 22 -7.288 -5.901 3.325 164 HG SER 22 HG SER 22 -7.893 -4.223 5.497 165 H THR 23 H THR 23 -6.033 -4.876 0.829 166 HA THR 23 HA THR 23 -4.011 -6.780 1.340 167 HB THR 23 HB THR 23 -4.205 -5.617 -1.384 168 HG1 THR 23 1HG THR 23 -6.353 -7.055 -0.220 169 1HG2 THR 23 1HG2 THR 23 -2.979 -7.643 -1.172 170 2HG2 THR 23 2HG2 THR 23 -4.497 -8.010 -1.992 171 3HG2 THR 23 3HG2 THR 23 -4.296 -8.412 -0.287 172 H LEU 24 H LEU 24 -3.965 -3.406 0.424 173 HA LEU 24 HA LEU 24 -1.271 -3.195 -0.314 174 1HB LEU 24 2HB LEU 24 -2.640 -0.984 1.159 175 2HB LEU 24 1HB LEU 24 -1.552 -0.897 -0.207 176 HG LEU 24 HG LEU 24 -4.417 -1.816 -0.324 177 1HD1 LEU 24 1HD1 LEU 24 -4.892 0.266 -1.397 178 2HD1 LEU 24 2HD1 LEU 24 -3.189 0.723 -1.374 179 3HD1 LEU 24 3HD1 LEU 24 -4.091 0.607 0.136 180 1HD2 LEU 24 1HD2 LEU 24 -3.593 -2.886 -2.138 181 2HD2 LEU 24 2HD2 LEU 24 -2.186 -1.830 -2.258 182 3HD2 LEU 24 3HD2 LEU 24 -3.752 -1.285 -2.860 183 H GLU 25 H GLU 25 -2.924 -2.864 2.766 184 HA GLU 25 HA GLU 25 -0.653 -2.201 4.301 185 1HB GLU 25 2HB GLU 25 -3.284 -2.239 4.826 186 2HB GLU 25 1HB GLU 25 -2.841 -3.771 5.567 187 1HG GLU 25 2HG GLU 25 -1.296 -2.684 7.035 188 2HG GLU 25 1HG GLU 25 -1.509 -1.147 6.198 189 H ALA 26 H ALA 26 -1.933 -5.199 3.135 190 HA ALA 26 HA ALA 26 -0.379 -6.861 4.814 191 1HB ALA 26 1HB ALA 26 -2.396 -7.797 3.973 192 2HB ALA 26 2HB ALA 26 -1.070 -8.665 3.199 193 3HB ALA 26 3HB ALA 26 -1.944 -7.419 2.310 194 H HIS 27 H HIS 27 -0.087 -5.445 1.657 195 HA HIS 27 HA HIS 27 2.284 -6.871 0.905 196 1HB HIS 27 2HB HIS 27 0.862 -6.023 -0.845 197 2HB HIS 27 1HB HIS 27 0.917 -4.398 -0.179 198 HD1 HIS 27 1HD HIS 27 3.016 -6.839 -2.149 199 HD2 HIS 27 2HD HIS 27 3.064 -2.869 -0.924 200 HE1 HIS 27 1HE HIS 27 4.890 -5.723 -3.428 201 H GLN 28 H GLN 28 1.542 -3.588 1.967 202 HA GLN 28 HA GLN 28 4.199 -2.674 2.157 203 1HB GLN 28 2HB GLN 28 1.542 -1.734 2.894 204 2HB GLN 28 1HB GLN 28 2.750 -1.272 4.083 205 1HG GLN 28 2HG GLN 28 3.971 -0.682 1.695 206 2HG GLN 28 1HG GLN 28 2.285 -0.268 1.398 207 1HE2 GLN 28 1HE2 GLN 28 4.881 0.180 3.762 208 2HE2 GLN 28 2HE2 GLN 28 4.429 1.783 4.216 209 H ALA 29 H ALA 29 2.335 -4.794 4.106 210 HA ALA 29 HA ALA 29 3.574 -4.373 6.607 211 1HB ALA 29 1HB ALA 29 1.859 -6.467 5.406 212 2HB ALA 29 2HB ALA 29 1.650 -5.541 6.891 213 3HB ALA 29 3HB ALA 29 2.778 -6.896 6.849 214 H TYR 30 H TYR 30 4.047 -7.122 4.344 215 HA TYR 30 HA TYR 30 6.889 -7.083 4.969 216 1HB TYR 30 2HB TYR 30 4.994 -9.301 5.660 217 2HB TYR 30 1HB TYR 30 6.687 -9.631 5.336 218 HD1 TYR 30 1HD TYR 30 4.292 -8.314 7.704 219 HD2 TYR 30 2HD TYR 30 8.439 -8.668 6.828 220 HE1 TYR 30 1HE TYR 30 4.825 -7.739 10.033 221 HE2 TYR 30 2HE TYR 30 8.986 -8.095 9.156 222 HH TYR 30 HH TYR 30 7.167 -8.345 11.588 223 H TYR 31 H TYR 31 4.961 -6.819 2.566 224 HA TYR 31 HA TYR 31 6.180 -8.924 0.909 225 1HB TYR 31 2HB TYR 31 3.532 -8.339 1.157 226 2HB TYR 31 1HB TYR 31 3.960 -7.376 -0.254 227 HD1 TYR 31 1HD TYR 31 3.640 -10.769 1.093 228 HD2 TYR 31 2HD TYR 31 4.633 -8.444 -2.329 229 HE1 TYR 31 1HE TYR 31 3.488 -12.781 -0.311 230 HE2 TYR 31 2HE TYR 31 4.483 -10.451 -3.743 231 HH TYR 31 HH TYR 31 3.103 -13.357 -2.669 232 H CYS 32 H CYS 32 5.800 -5.485 1.312 233 HA CYS 32 HA CYS 32 6.832 -4.780 -1.264 234 1HB CYS 32 2HB CYS 32 5.368 -3.355 0.330 235 2HB CYS 32 1HB CYS 32 6.886 -2.961 1.128 236 H SER 33 H SER 33 8.183 -5.105 1.980 237 HA SER 33 HA SER 33 10.756 -5.747 1.063 238 1HB SER 33 2HB SER 33 10.422 -3.113 0.692 239 2HB SER 33 1HB SER 33 10.929 -3.087 2.382 240 HG SER 33 HG SER 33 12.869 -3.813 1.835 241 H HIS 34 H HIS 34 12.293 -6.046 2.815 242 HA HIS 34 HA HIS 34 10.987 -6.932 5.205 243 1HB HIS 34 2HB HIS 34 13.934 -6.795 4.528 244 2HB HIS 34 1HB HIS 34 13.244 -7.642 5.908 245 HD1 HIS 34 1HD HIS 34 13.351 -7.795 2.137 246 HD2 HIS 34 2HD HIS 34 12.329 -10.180 5.383 247 HE1 HIS 34 1HE HIS 34 12.951 -10.088 1.186 248 HE2 HIS 34 2HE HIS 34 12.409 -11.531 3.179 249 H ARG 35 H ARG 35 10.172 -4.666 5.627 250 HA ARG 35 HA ARG 35 12.022 -2.726 6.629 251 1HB ARG 35 2HB ARG 35 9.934 -1.979 5.669 252 2HB ARG 35 1HB ARG 35 9.012 -2.933 6.823 253 1HG ARG 35 2HG ARG 35 9.913 -1.522 8.644 254 2HG ARG 35 1HG ARG 35 10.713 -0.524 7.428 255 1HD ARG 35 2HD ARG 35 7.742 -1.018 7.588 256 2HD ARG 35 1HD ARG 35 8.561 0.421 8.193 257 HE ARG 35 HE ARG 35 9.333 0.323 5.607 258 1HH1 ARG 35 1HH1 ARG 35 6.211 0.197 7.161 259 2HH1 ARG 35 2HH1 ARG 35 5.382 0.939 5.834 260 1HH2 ARG 35 1HH2 ARG 35 8.244 1.299 3.861 261 2HH2 ARG 35 2HH2 ARG 35 6.536 1.564 3.961 262 H ILE 36 H ILE 36 12.212 -2.004 8.805 263 HA ILE 36 HA ILE 36 11.224 -3.805 10.885 264 HB ILE 36 HB ILE 36 13.454 -4.656 10.282 265 1HG1 ILE 36 2HG1 ILE 36 14.443 -3.913 12.739 266 2HG1 ILE 36 1HG1 ILE 36 12.718 -3.618 12.929 267 1HG2 ILE 36 1HG2 ILE 36 15.435 -3.214 10.900 268 2HG2 ILE 36 2HG2 ILE 36 14.316 -1.851 10.935 269 3HG2 ILE 36 3HG2 ILE 36 14.563 -2.749 9.438 270 1HD1 ILE 36 1HD1 ILE 36 12.207 -5.808 12.887 271 2HD1 ILE 36 2HD1 ILE 36 13.883 -5.976 13.410 272 3HD1 ILE 36 3HD1 ILE 36 13.463 -6.194 11.711 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -7.071 12.112 -2.925 2 2H GLY 1 2HT GLY 1 -6.554 13.232 -4.081 3 3H GLY 1 3HT GLY 1 -8.189 12.813 -3.984 4 1HA GLY 1 1HA GLY 1 -8.387 14.688 -2.800 5 2HA GLY 1 2HA GLY 1 -7.798 13.666 -1.497 6 H SER 2 H SER 2 -6.061 14.350 -0.431 7 HA SER 2 HA SER 2 -3.787 15.509 -1.592 8 1HB SER 2 2HB SER 2 -5.825 17.355 -1.491 9 2HB SER 2 1HB SER 2 -4.954 17.678 0.007 10 HG SER 2 HG SER 2 -3.042 17.864 -1.253 11 H LEU 3 H LEU 3 -5.801 15.694 1.336 12 HA LEU 3 HA LEU 3 -3.581 15.812 3.116 13 1HB LEU 3 2HB LEU 3 -5.336 15.267 4.854 14 2HB LEU 3 1HB LEU 3 -5.599 16.723 3.915 15 HG LEU 3 HG LEU 3 -6.889 14.351 2.775 16 1HD1 LEU 3 1HD1 LEU 3 -7.015 14.018 5.307 17 2HD1 LEU 3 2HD1 LEU 3 -8.525 13.986 4.399 18 3HD1 LEU 3 3HD1 LEU 3 -8.076 15.427 5.310 19 1HD2 LEU 3 1HD2 LEU 3 -7.678 16.224 1.780 20 2HD2 LEU 3 2HD2 LEU 3 -7.415 17.227 3.207 21 3HD2 LEU 3 3HD2 LEU 3 -8.823 16.168 3.120 22 H LEU 4 H LEU 4 -3.885 14.030 5.068 23 HA LEU 4 HA LEU 4 -2.599 11.741 4.177 24 1HB LEU 4 2HB LEU 4 -4.207 12.232 6.678 25 2HB LEU 4 1HB LEU 4 -3.268 10.776 6.414 26 HG LEU 4 HG LEU 4 -1.547 12.985 5.941 27 1HD1 LEU 4 1HD1 LEU 4 -3.110 13.197 8.507 28 2HD1 LEU 4 2HD1 LEU 4 -3.036 14.388 7.208 29 3HD1 LEU 4 3HD1 LEU 4 -1.600 14.045 8.172 30 1HD2 LEU 4 1HD2 LEU 4 -1.034 10.664 6.771 31 2HD2 LEU 4 2HD2 LEU 4 -1.618 11.184 8.352 32 3HD2 LEU 4 3HD2 LEU 4 -0.217 11.973 7.625 33 H LYS 5 H LYS 5 -3.736 9.492 5.121 34 HA LYS 5 HA LYS 5 -5.322 7.879 4.803 35 1HB LYS 5 2HB LYS 5 -6.870 10.204 4.817 36 2HB LYS 5 1HB LYS 5 -7.336 9.374 3.339 37 1HG LYS 5 2HG LYS 5 -7.474 7.299 4.960 38 2HG LYS 5 1HG LYS 5 -7.697 8.562 6.171 39 1HD LYS 5 2HD LYS 5 -9.468 9.494 4.534 40 2HD LYS 5 1HD LYS 5 -9.410 7.888 3.806 41 1HE LYS 5 2HE LYS 5 -10.325 6.871 5.646 42 2HE LYS 5 1HE LYS 5 -9.726 8.101 6.757 43 1HZ LYS 5 1HZ LYS 5 -12.268 7.900 5.680 44 2HZ LYS 5 2HZ LYS 5 -11.564 9.249 4.942 45 3HZ LYS 5 3HZ LYS 5 -11.653 9.159 6.629 46 HA PRO 6 HA PRO 6 -4.055 6.862 0.664 47 1HB PRO 6 2HB PRO 6 -5.155 4.387 0.515 48 2HB PRO 6 1HB PRO 6 -3.692 4.731 1.446 49 1HG PRO 6 2HG PRO 6 -6.521 4.465 2.392 50 2HG PRO 6 1HG PRO 6 -5.035 3.817 3.112 51 1HD PRO 6 2HD PRO 6 -6.242 6.056 4.036 52 2HD PRO 6 1HD PRO 6 -4.482 5.830 4.092 53 H ALA 7 H ALA 7 -4.942 7.574 -1.158 54 HA ALA 7 HA ALA 7 -7.852 7.619 -1.424 55 1HB ALA 7 1HB ALA 7 -6.223 8.815 -3.559 56 2HB ALA 7 2HB ALA 7 -6.007 9.527 -1.960 57 3HB ALA 7 3HB ALA 7 -7.613 9.464 -2.687 58 H ARG 8 H ARG 8 -4.978 6.299 -2.966 59 HA ARG 8 HA ARG 8 -6.727 4.697 -4.717 60 1HB ARG 8 2HB ARG 8 -4.733 4.581 -6.261 61 2HB ARG 8 1HB ARG 8 -5.500 6.158 -6.133 62 1HG ARG 8 2HG ARG 8 -3.758 6.909 -4.620 63 2HG ARG 8 1HG ARG 8 -3.002 5.316 -4.677 64 1HD ARG 8 2HD ARG 8 -3.299 7.295 -6.927 65 2HD ARG 8 1HD ARG 8 -1.805 6.749 -6.167 66 HE ARG 8 HE ARG 8 -2.907 4.465 -7.137 67 1HH1 ARG 8 1HH1 ARG 8 -2.105 7.553 -8.552 68 2HH1 ARG 8 2HH1 ARG 8 -1.793 6.893 -10.123 69 1HH2 ARG 8 1HH2 ARG 8 -2.496 3.595 -9.202 70 2HH2 ARG 8 2HH2 ARG 8 -2.016 4.646 -10.492 71 H PHE 9 H PHE 9 -5.362 2.710 -5.562 72 HA PHE 9 HA PHE 9 -3.850 1.537 -3.337 73 1HB PHE 9 2HB PHE 9 -5.370 -0.555 -4.514 74 2HB PHE 9 1HB PHE 9 -5.456 0.054 -2.868 75 HD1 PHE 9 1HD PHE 9 -7.074 1.867 -2.317 76 HD2 PHE 9 2HD PHE 9 -7.080 -0.127 -6.075 77 HE1 PHE 9 1HE PHE 9 -9.361 2.671 -2.735 78 HE2 PHE 9 2HE PHE 9 -9.367 0.673 -6.500 79 HZ PHE 9 HZ PHE 9 -10.511 2.075 -4.829 80 H MET 10 H MET 10 -1.985 1.913 -4.621 81 HA MET 10 HA MET 10 -1.336 -0.269 -6.342 82 1HB MET 10 2HB MET 10 -2.489 1.972 -7.591 83 2HB MET 10 1HB MET 10 -0.767 2.075 -7.928 84 1HG MET 10 2HG MET 10 -0.741 0.017 -9.033 85 2HG MET 10 1HG MET 10 -2.302 -0.459 -8.367 86 1HE MET 10 1HE MET 10 -0.562 0.174 -11.219 87 2HE MET 10 2HE MET 10 -0.609 1.936 -11.252 88 3HE MET 10 3HE MET 10 -1.583 1.007 -12.392 89 H CYS 11 H CYS 11 0.710 -0.734 -5.900 90 HA CYS 11 HA CYS 11 2.400 1.242 -4.621 91 1HB CYS 11 2HB CYS 11 2.142 -1.416 -4.223 92 2HB CYS 11 1HB CYS 11 3.515 -1.413 -5.325 93 H LEU 12 H LEU 12 2.736 2.694 -6.357 94 HA LEU 12 HA LEU 12 3.602 2.102 -8.910 95 1HB LEU 12 2HB LEU 12 4.770 4.467 -7.505 96 2HB LEU 12 1HB LEU 12 4.185 4.329 -9.150 97 HG LEU 12 HG LEU 12 1.878 3.950 -7.751 98 1HD1 LEU 12 1HD1 LEU 12 2.182 6.138 -6.202 99 2HD1 LEU 12 2HD1 LEU 12 3.769 5.392 -6.019 100 3HD1 LEU 12 3HD1 LEU 12 2.316 4.483 -5.609 101 1HD2 LEU 12 1HD2 LEU 12 2.751 5.646 -9.626 102 2HD2 LEU 12 2HD2 LEU 12 2.631 6.762 -8.265 103 3HD2 LEU 12 3HD2 LEU 12 1.213 5.851 -8.786 104 HA PRO 13 HA PRO 13 8.149 2.113 -7.414 105 1HB PRO 13 2HB PRO 13 8.263 2.073 -4.536 106 2HB PRO 13 1HB PRO 13 8.822 3.335 -5.634 107 1HG PRO 13 2HG PRO 13 6.709 3.620 -3.904 108 2HG PRO 13 1HG PRO 13 6.911 4.558 -5.394 109 1HD PRO 13 2HD PRO 13 5.201 2.152 -4.885 110 2HD PRO 13 1HD PRO 13 4.833 3.618 -5.818 111 H CYS 14 H CYS 14 6.560 -0.094 -7.832 112 HA CYS 14 HA CYS 14 8.090 -2.153 -6.527 113 1HB CYS 14 2HB CYS 14 5.451 -1.454 -5.592 114 2HB CYS 14 1HB CYS 14 5.467 -3.100 -6.210 115 H GLY 15 H GLY 15 5.335 -1.387 -8.608 116 1HA GLY 15 2HA GLY 15 5.274 -2.010 -10.900 117 2HA GLY 15 1HA GLY 15 6.304 -3.370 -10.504 118 H ILE 16 H ILE 16 3.544 -2.537 -8.559 119 HA ILE 16 HA ILE 16 1.956 -4.677 -9.777 120 HB ILE 16 HB ILE 16 2.104 -4.533 -6.789 121 1HG1 ILE 16 2HG1 ILE 16 3.916 -6.245 -8.507 122 2HG1 ILE 16 1HG1 ILE 16 4.437 -4.803 -7.640 123 1HG2 ILE 16 1HG2 ILE 16 0.848 -6.196 -8.789 124 2HG2 ILE 16 2HG2 ILE 16 0.538 -6.087 -7.056 125 3HG2 ILE 16 3HG2 ILE 16 1.805 -7.156 -7.660 126 1HD1 ILE 16 1HD1 ILE 16 4.882 -7.081 -6.579 127 2HD1 ILE 16 2HD1 ILE 16 3.157 -7.098 -6.209 128 3HD1 ILE 16 3HD1 ILE 16 4.185 -5.819 -5.563 129 H ALA 17 H ALA 17 -0.314 -4.632 -9.115 130 HA ALA 17 HA ALA 17 -1.198 -2.083 -7.963 131 1HB ALA 17 1HB ALA 17 -2.989 -2.018 -9.771 132 2HB ALA 17 2HB ALA 17 -1.994 -3.183 -10.645 133 3HB ALA 17 3HB ALA 17 -1.350 -1.587 -10.258 134 H PHE 18 H PHE 18 -2.403 -2.610 -6.260 135 HA PHE 18 HA PHE 18 -3.761 -5.142 -6.110 136 1HB PHE 18 2HB PHE 18 -3.281 -2.849 -4.232 137 2HB PHE 18 1HB PHE 18 -4.410 -4.120 -3.832 138 HD1 PHE 18 1HD PHE 18 -3.564 -5.668 -2.369 139 HD2 PHE 18 2HD PHE 18 -0.990 -3.973 -5.302 140 HE1 PHE 18 1HE PHE 18 -1.710 -7.057 -1.538 141 HE2 PHE 18 2HE PHE 18 0.868 -5.359 -4.479 142 HZ PHE 18 HZ PHE 18 0.510 -6.903 -2.593 143 H SER 19 H SER 19 -6.000 -4.657 -4.689 144 HA SER 19 HA SER 19 -7.605 -2.618 -5.960 145 1HB SER 19 2HB SER 19 -7.802 -5.499 -6.693 146 2HB SER 19 1HB SER 19 -9.307 -4.599 -6.516 147 HG SER 19 HG SER 19 -8.489 -3.095 -8.037 148 H SER 20 H SER 20 -6.758 -3.328 -3.263 149 HA SER 20 HA SER 20 -9.279 -3.053 -1.972 150 1HB SER 20 2HB SER 20 -8.030 -5.715 -2.107 151 2HB SER 20 1HB SER 20 -8.505 -5.207 -0.487 152 HG SER 20 HG SER 20 -10.584 -5.096 -1.115 153 HA PRO 21 HA PRO 21 -6.548 -0.690 0.636 154 1HB PRO 21 2HB PRO 21 -8.726 -1.142 2.620 155 2HB PRO 21 1HB PRO 21 -7.951 0.366 2.123 156 1HG PRO 21 2HG PRO 21 -10.390 -0.245 1.259 157 2HG PRO 21 1HG PRO 21 -9.213 0.530 0.182 158 1HD PRO 21 2HD PRO 21 -10.110 -2.317 0.280 159 2HD PRO 21 1HD PRO 21 -9.692 -1.311 -1.122 160 H SER 22 H SER 22 -8.356 -3.240 2.373 161 HA SER 22 HA SER 22 -6.472 -3.712 4.359 162 1HB SER 22 2HB SER 22 -8.620 -5.417 3.128 163 2HB SER 22 1HB SER 22 -7.543 -6.089 4.351 164 HG SER 22 HG SER 22 -9.377 -5.232 5.338 165 H THR 23 H THR 23 -6.683 -5.034 1.097 166 HA THR 23 HA THR 23 -4.710 -7.017 1.392 167 HB THR 23 HB THR 23 -5.149 -5.540 -1.187 168 HG1 THR 23 1HG THR 23 -6.880 -7.504 -0.100 169 1HG2 THR 23 1HG2 THR 23 -4.594 -7.473 -2.258 170 2HG2 THR 23 2HG2 THR 23 -5.111 -8.496 -0.918 171 3HG2 THR 23 3HG2 THR 23 -3.588 -7.612 -0.817 172 H LEU 24 H LEU 24 -4.528 -3.602 0.559 173 HA LEU 24 HA LEU 24 -1.840 -3.480 -0.182 174 1HB LEU 24 2HB LEU 24 -3.050 -1.269 1.416 175 2HB LEU 24 1HB LEU 24 -2.019 -1.187 0.009 176 HG LEU 24 HG LEU 24 -4.965 -1.773 0.083 177 1HD1 LEU 24 1HD1 LEU 24 -3.655 0.296 -1.605 178 2HD1 LEU 24 2HD1 LEU 24 -3.867 0.608 0.117 179 3HD1 LEU 24 3HD1 LEU 24 -5.270 0.272 -0.897 180 1HD2 LEU 24 1HD2 LEU 24 -4.211 -3.271 -1.550 181 2HD2 LEU 24 2HD2 LEU 24 -2.973 -2.157 -2.128 182 3HD2 LEU 24 3HD2 LEU 24 -4.675 -1.834 -2.458 183 H GLU 25 H GLU 25 -3.409 -3.211 2.957 184 HA GLU 25 HA GLU 25 -1.161 -2.632 4.506 185 1HB GLU 25 2HB GLU 25 -3.773 -2.872 5.056 186 2HB GLU 25 1HB GLU 25 -3.226 -4.426 5.669 187 1HG GLU 25 2HG GLU 25 -1.453 -3.038 6.934 188 2HG GLU 25 1HG GLU 25 -2.519 -1.674 6.597 189 H ALA 26 H ALA 26 -2.301 -5.627 3.173 190 HA ALA 26 HA ALA 26 -0.685 -7.331 4.708 191 1HB ALA 26 1HB ALA 26 -2.687 -8.132 3.547 192 2HB ALA 26 2HB ALA 26 -1.256 -9.054 3.086 193 3HB ALA 26 3HB ALA 26 -1.901 -7.824 1.998 194 H HIS 27 H HIS 27 -0.304 -5.640 1.676 195 HA HIS 27 HA HIS 27 2.187 -6.866 0.979 196 1HB HIS 27 2HB HIS 27 0.798 -5.903 -0.767 197 2HB HIS 27 1HB HIS 27 0.834 -4.330 0.017 198 HD1 HIS 27 1HD HIS 27 3.221 -6.732 -1.729 199 HD2 HIS 27 2HD HIS 27 2.820 -2.702 -0.797 200 HE1 HIS 27 1HE HIS 27 5.117 -5.539 -2.903 201 H GLN 28 H GLN 28 1.224 -3.720 2.271 202 HA GLN 28 HA GLN 28 3.817 -2.719 2.701 203 1HB GLN 28 2HB GLN 28 1.083 -1.972 3.375 204 2HB GLN 28 1HB GLN 28 2.208 -1.570 4.665 205 1HG GLN 28 2HG GLN 28 3.624 -0.506 2.799 206 2HG GLN 28 1HG GLN 28 2.145 -0.584 1.842 207 1HE2 GLN 28 1HE2 GLN 28 3.448 0.588 4.909 208 2HE2 GLN 28 2HE2 GLN 28 2.409 1.964 5.029 209 H ALA 29 H ALA 29 1.999 -5.132 4.308 210 HA ALA 29 HA ALA 29 3.040 -4.901 6.914 211 1HB ALA 29 1HB ALA 29 2.479 -7.596 6.522 212 2HB ALA 29 2HB ALA 29 1.372 -6.742 5.447 213 3HB ALA 29 3HB ALA 29 1.392 -6.366 7.170 214 H TYR 30 H TYR 30 3.915 -7.309 4.392 215 HA TYR 30 HA TYR 30 6.679 -7.144 5.311 216 1HB TYR 30 2HB TYR 30 4.914 -9.552 5.486 217 2HB TYR 30 1HB TYR 30 6.640 -9.747 5.233 218 HD1 TYR 30 1HD TYR 30 4.122 -8.302 7.531 219 HD2 TYR 30 2HD TYR 30 8.155 -9.563 7.039 220 HE1 TYR 30 1HE TYR 30 4.486 -8.061 9.951 221 HE2 TYR 30 2HE TYR 30 8.530 -9.326 9.459 222 HH TYR 30 HH TYR 30 7.315 -7.796 11.369 223 H TYR 31 H TYR 31 4.849 -6.828 2.717 224 HA TYR 31 HA TYR 31 6.397 -8.574 0.954 225 1HB TYR 31 2HB TYR 31 3.908 -6.959 0.624 226 2HB TYR 31 1HB TYR 31 4.846 -7.380 -0.800 227 HD1 TYR 31 1HD TYR 31 2.643 -8.621 1.816 228 HD2 TYR 31 2HD TYR 31 5.106 -9.733 -1.467 229 HE1 TYR 31 1HE TYR 31 1.560 -10.829 1.760 230 HE2 TYR 31 2HE TYR 31 4.032 -11.942 -1.535 231 HH TYR 31 HH TYR 31 1.999 -13.024 -0.840 232 H CYS 32 H CYS 32 5.533 -5.119 1.113 233 HA CYS 32 HA CYS 32 7.280 -4.226 -0.857 234 1HB CYS 32 2HB CYS 32 5.428 -3.024 0.706 235 2HB CYS 32 1HB CYS 32 6.902 -2.426 1.460 236 H SER 33 H SER 33 9.361 -4.826 -0.883 237 HA SER 33 HA SER 33 11.507 -5.233 -0.208 238 1HB SER 33 2HB SER 33 11.084 -2.608 -0.196 239 2HB SER 33 1HB SER 33 11.413 -2.806 1.525 240 HG SER 33 HG SER 33 13.094 -3.407 -0.667 241 H HIS 34 H HIS 34 12.950 -4.692 2.060 242 HA HIS 34 HA HIS 34 11.705 -6.530 3.967 243 1HB HIS 34 2HB HIS 34 14.577 -5.601 3.775 244 2HB HIS 34 1HB HIS 34 13.965 -6.840 4.864 245 HD1 HIS 34 1HD HIS 34 14.534 -6.209 1.183 246 HD2 HIS 34 2HD HIS 34 13.816 -9.363 3.791 247 HE1 HIS 34 1HE HIS 34 14.854 -8.297 -0.183 248 HE2 HIS 34 2HE HIS 34 14.500 -10.193 1.438 249 H ARG 35 H ARG 35 10.289 -4.871 4.816 250 HA ARG 35 HA ARG 35 11.257 -2.511 6.034 251 1HB ARG 35 2HB ARG 35 8.704 -4.000 5.965 252 2HB ARG 35 1HB ARG 35 8.945 -2.972 7.370 253 1HG ARG 35 2HG ARG 35 9.435 -1.868 4.643 254 2HG ARG 35 1HG ARG 35 7.782 -2.038 5.239 255 1HD ARG 35 2HD ARG 35 8.747 -0.842 7.359 256 2HD ARG 35 1HD ARG 35 9.993 -0.300 6.236 257 HE ARG 35 HE ARG 35 8.478 1.137 5.313 258 1HH1 ARG 35 1HH1 ARG 35 6.747 -1.275 7.148 259 2HH1 ARG 35 2HH1 ARG 35 5.213 -0.496 6.963 260 1HH2 ARG 35 1HH2 ARG 35 6.460 2.164 5.068 261 2HH2 ARG 35 2HH2 ARG 35 5.049 1.456 5.781 262 H ILE 36 H ILE 36 11.178 -2.027 8.359 263 HA ILE 36 HA ILE 36 11.348 -4.193 10.240 264 HB ILE 36 HB ILE 36 13.596 -4.299 9.256 265 1HG1 ILE 36 2HG1 ILE 36 14.140 -3.087 11.912 266 2HG1 ILE 36 1HG1 ILE 36 12.968 -4.400 11.873 267 1HG2 ILE 36 1HG2 ILE 36 14.431 -1.717 10.406 268 2HG2 ILE 36 2HG2 ILE 36 13.444 -1.635 8.947 269 3HG2 ILE 36 3HG2 ILE 36 14.961 -2.533 8.936 270 1HD1 ILE 36 1HD1 ILE 36 14.532 -5.956 11.441 271 2HD1 ILE 36 2HD1 ILE 36 15.602 -4.763 12.176 272 3HD1 ILE 36 3HD1 ILE 36 15.482 -4.878 10.420 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -11.004 11.860 -0.552 2 2H GLY 1 2HT GLY 1 -10.514 13.441 -0.206 3 3H GLY 1 3HT GLY 1 -11.229 12.495 1.000 4 1HA GLY 1 1HA GLY 1 -9.142 12.083 1.646 5 2HA GLY 1 2HA GLY 1 -9.183 10.926 0.326 6 H SER 2 H SER 2 -8.322 14.256 1.153 7 HA SER 2 HA SER 2 -6.777 14.598 -1.260 8 1HB SER 2 2HB SER 2 -8.024 16.367 0.357 9 2HB SER 2 1HB SER 2 -6.386 16.474 1.002 10 HG SER 2 HG SER 2 -7.297 17.676 -1.113 11 H LEU 3 H LEU 3 -6.004 14.495 2.222 12 HA LEU 3 HA LEU 3 -3.581 13.026 1.689 13 1HB LEU 3 2HB LEU 3 -2.217 14.771 2.989 14 2HB LEU 3 1HB LEU 3 -2.559 15.072 1.296 15 HG LEU 3 HG LEU 3 -4.677 16.284 2.634 16 1HD1 LEU 3 1HD1 LEU 3 -2.149 16.468 4.210 17 2HD1 LEU 3 2HD1 LEU 3 -3.817 16.325 4.768 18 3HD1 LEU 3 3HD1 LEU 3 -3.232 17.859 4.123 19 1HD2 LEU 3 1HD2 LEU 3 -2.202 17.198 1.253 20 2HD2 LEU 3 2HD2 LEU 3 -3.208 18.388 2.078 21 3HD2 LEU 3 3HD2 LEU 3 -3.891 17.396 0.790 22 H LEU 4 H LEU 4 -4.283 11.447 3.063 23 HA LEU 4 HA LEU 4 -3.757 11.718 5.804 24 1HB LEU 4 2HB LEU 4 -6.023 12.962 5.450 25 2HB LEU 4 1HB LEU 4 -6.695 11.344 5.352 26 HG LEU 4 HG LEU 4 -6.925 12.268 7.601 27 1HD1 LEU 4 1HD1 LEU 4 -6.194 9.768 6.982 28 2HD1 LEU 4 2HD1 LEU 4 -6.502 10.303 8.634 29 3HD1 LEU 4 3HD1 LEU 4 -4.848 10.213 8.030 30 1HD2 LEU 4 1HD2 LEU 4 -4.558 13.478 7.206 31 2HD2 LEU 4 2HD2 LEU 4 -4.037 12.097 8.170 32 3HD2 LEU 4 3HD2 LEU 4 -5.258 13.202 8.802 33 H LYS 5 H LYS 5 -5.628 10.007 3.348 34 HA LYS 5 HA LYS 5 -4.604 7.477 4.430 35 1HB LYS 5 2HB LYS 5 -6.768 6.396 4.013 36 2HB LYS 5 1HB LYS 5 -6.917 7.694 5.190 37 1HG LYS 5 2HG LYS 5 -7.421 8.385 2.359 38 2HG LYS 5 1HG LYS 5 -8.616 7.371 3.170 39 1HD LYS 5 2HD LYS 5 -7.706 9.685 4.732 40 2HD LYS 5 1HD LYS 5 -8.573 10.092 3.249 41 1HE LYS 5 2HE LYS 5 -9.781 7.951 4.865 42 2HE LYS 5 1HE LYS 5 -9.764 9.543 5.622 43 1HZ LYS 5 1HZ LYS 5 -10.809 10.420 3.576 44 2HZ LYS 5 2HZ LYS 5 -11.778 9.297 4.391 45 3HZ LYS 5 3HZ LYS 5 -10.945 8.837 2.992 46 HA PRO 6 HA PRO 6 -3.341 6.378 0.363 47 1HB PRO 6 2HB PRO 6 -4.504 3.844 0.139 48 2HB PRO 6 1HB PRO 6 -2.917 4.198 0.828 49 1HG PRO 6 2HG PRO 6 -5.525 3.748 2.203 50 2HG PRO 6 1HG PRO 6 -3.894 3.261 2.697 51 1HD PRO 6 2HD PRO 6 -5.129 5.337 3.846 52 2HD PRO 6 1HD PRO 6 -3.382 5.372 3.523 53 H ALA 7 H ALA 7 -4.548 7.859 -0.835 54 HA ALA 7 HA ALA 7 -7.270 7.706 -1.419 55 1HB ALA 7 1HB ALA 7 -6.748 9.165 -3.345 56 2HB ALA 7 2HB ALA 7 -5.031 8.885 -3.058 57 3HB ALA 7 3HB ALA 7 -6.004 9.715 -1.844 58 H ARG 8 H ARG 8 -4.542 6.050 -2.844 59 HA ARG 8 HA ARG 8 -6.418 4.568 -4.560 60 1HB ARG 8 2HB ARG 8 -3.655 5.546 -5.292 61 2HB ARG 8 1HB ARG 8 -4.575 4.390 -6.246 62 1HG ARG 8 2HG ARG 8 -5.907 5.971 -7.119 63 2HG ARG 8 1HG ARG 8 -5.996 6.878 -5.608 64 1HD ARG 8 2HD ARG 8 -4.860 8.212 -7.255 65 2HD ARG 8 1HD ARG 8 -3.701 7.711 -6.025 66 HE ARG 8 HE ARG 8 -3.793 5.963 -8.304 67 1HH1 ARG 8 1HH1 ARG 8 -2.387 8.872 -6.985 68 2HH1 ARG 8 2HH1 ARG 8 -0.984 8.802 -7.997 69 1HH2 ARG 8 1HH2 ARG 8 -1.946 5.869 -9.636 70 2HH2 ARG 8 2HH2 ARG 8 -0.733 7.098 -9.501 71 H PHE 9 H PHE 9 -5.264 2.504 -5.416 72 HA PHE 9 HA PHE 9 -3.695 1.307 -3.231 73 1HB PHE 9 2HB PHE 9 -5.012 -0.855 -4.178 74 2HB PHE 9 1HB PHE 9 -5.580 0.109 -2.821 75 HD1 PHE 9 1HD PHE 9 -7.836 0.452 -2.848 76 HD2 PHE 9 2HD PHE 9 -5.731 0.406 -6.546 77 HE1 PHE 9 1HE PHE 9 -9.937 0.904 -4.045 78 HE2 PHE 9 2HE PHE 9 -7.827 0.858 -7.751 79 HZ PHE 9 HZ PHE 9 -9.934 1.107 -6.500 80 H MET 10 H MET 10 -1.826 1.780 -4.510 81 HA MET 10 HA MET 10 -1.098 -0.380 -6.232 82 1HB MET 10 2HB MET 10 -2.331 0.997 -7.844 83 2HB MET 10 1HB MET 10 -1.325 2.382 -7.441 84 1HG MET 10 2HG MET 10 0.639 1.190 -8.284 85 2HG MET 10 1HG MET 10 -0.384 -0.179 -8.709 86 1HE MET 10 1HE MET 10 0.502 -0.315 -10.791 87 2HE MET 10 2HE MET 10 1.219 1.128 -11.508 88 3HE MET 10 3HE MET 10 -0.252 0.439 -12.195 89 H CYS 11 H CYS 11 0.948 -0.799 -5.768 90 HA CYS 11 HA CYS 11 2.572 1.221 -4.463 91 1HB CYS 11 2HB CYS 11 2.339 -1.324 -3.847 92 2HB CYS 11 1HB CYS 11 3.577 -1.527 -5.079 93 H LEU 12 H LEU 12 3.034 2.634 -6.123 94 HA LEU 12 HA LEU 12 3.896 2.108 -8.678 95 1HB LEU 12 2HB LEU 12 5.166 4.344 -7.161 96 2HB LEU 12 1HB LEU 12 4.598 4.312 -8.818 97 HG LEU 12 HG LEU 12 2.940 4.557 -6.313 98 1HD1 LEU 12 1HD1 LEU 12 2.862 6.367 -8.685 99 2HD1 LEU 12 2HD1 LEU 12 4.148 6.534 -7.492 100 3HD1 LEU 12 3HD1 LEU 12 2.464 6.703 -7.001 101 1HD2 LEU 12 1HD2 LEU 12 2.181 3.714 -9.059 102 2HD2 LEU 12 2HD2 LEU 12 1.100 4.807 -8.196 103 3HD2 LEU 12 3HD2 LEU 12 1.505 3.238 -7.501 104 HA PRO 13 HA PRO 13 8.499 2.053 -7.145 105 1HB PRO 13 2HB PRO 13 8.901 1.376 -4.538 106 2HB PRO 13 1HB PRO 13 8.776 3.043 -5.107 107 1HG PRO 13 2HG PRO 13 6.700 1.321 -3.814 108 2HG PRO 13 1HG PRO 13 7.070 3.033 -3.534 109 1HD PRO 13 2HD PRO 13 4.988 2.229 -5.049 110 2HD PRO 13 1HD PRO 13 5.883 3.722 -5.388 111 H CYS 14 H CYS 14 6.042 -0.184 -6.709 112 HA CYS 14 HA CYS 14 7.969 -2.406 -6.647 113 1HB CYS 14 2HB CYS 14 5.289 -2.068 -5.384 114 2HB CYS 14 1HB CYS 14 5.768 -3.673 -5.910 115 H GLY 15 H GLY 15 5.210 -0.952 -8.199 116 1HA GLY 15 2HA GLY 15 4.472 -1.234 -10.361 117 2HA GLY 15 1HA GLY 15 5.672 -2.496 -10.554 118 H ILE 16 H ILE 16 3.419 -2.586 -7.917 119 HA ILE 16 HA ILE 16 1.896 -4.701 -9.294 120 HB ILE 16 HB ILE 16 2.482 -4.738 -6.340 121 1HG1 ILE 16 2HG1 ILE 16 3.943 -6.313 -8.468 122 2HG1 ILE 16 1HG1 ILE 16 4.593 -4.868 -7.699 123 1HG2 ILE 16 1HG2 ILE 16 1.300 -6.664 -8.307 124 2HG2 ILE 16 2HG2 ILE 16 0.629 -6.079 -6.784 125 3HG2 ILE 16 3HG2 ILE 16 1.977 -7.217 -6.775 126 1HD1 ILE 16 1HD1 ILE 16 5.571 -6.587 -6.509 127 2HD1 ILE 16 2HD1 ILE 16 4.107 -7.571 -6.529 128 3HD1 ILE 16 3HD1 ILE 16 4.197 -6.144 -5.495 129 H ALA 17 H ALA 17 0.014 -3.681 -9.719 130 HA ALA 17 HA ALA 17 -1.180 -1.886 -7.784 131 1HB ALA 17 1HB ALA 17 -1.206 -1.865 -10.463 132 2HB ALA 17 2HB ALA 17 -2.464 -1.113 -9.482 133 3HB ALA 17 3HB ALA 17 -2.720 -2.718 -10.166 134 H PHE 18 H PHE 18 -2.451 -2.557 -6.193 135 HA PHE 18 HA PHE 18 -3.529 -5.230 -6.186 136 1HB PHE 18 2HB PHE 18 -3.227 -2.999 -4.219 137 2HB PHE 18 1HB PHE 18 -4.392 -4.261 -3.889 138 HD1 PHE 18 1HD PHE 18 -1.364 -5.078 -5.730 139 HD2 PHE 18 2HD PHE 18 -3.163 -4.908 -1.877 140 HE1 PHE 18 1HE PHE 18 0.436 -6.493 -4.833 141 HE2 PHE 18 2HE PHE 18 -1.365 -6.324 -0.973 142 HZ PHE 18 HZ PHE 18 0.437 -7.118 -2.451 143 H SER 19 H SER 19 -5.873 -4.803 -4.675 144 HA SER 19 HA SER 19 -7.591 -3.020 -6.166 145 1HB SER 19 2HB SER 19 -7.594 -5.972 -6.578 146 2HB SER 19 1HB SER 19 -9.154 -5.152 -6.524 147 HG SER 19 HG SER 19 -8.748 -4.253 -8.390 148 H SER 20 H SER 20 -6.730 -3.463 -3.382 149 HA SER 20 HA SER 20 -9.274 -3.138 -2.149 150 1HB SER 20 2HB SER 20 -7.761 -5.433 -0.969 151 2HB SER 20 1HB SER 20 -9.483 -5.065 -0.881 152 HG SER 20 HG SER 20 -8.071 -6.486 -2.772 153 HA PRO 21 HA PRO 21 -6.708 -0.793 0.568 154 1HB PRO 21 2HB PRO 21 -8.280 -0.619 2.766 155 2HB PRO 21 1HB PRO 21 -8.636 0.251 1.269 156 1HG PRO 21 2HG PRO 21 -9.801 -2.307 2.297 157 2HG PRO 21 1HG PRO 21 -10.619 -0.934 1.532 158 1HD PRO 21 2HD PRO 21 -9.997 -3.212 0.191 159 2HD PRO 21 1HD PRO 21 -10.057 -1.621 -0.592 160 H SER 22 H SER 22 -8.273 -3.571 2.167 161 HA SER 22 HA SER 22 -6.420 -3.802 4.267 162 1HB SER 22 2HB SER 22 -8.756 -5.138 3.444 163 2HB SER 22 1HB SER 22 -7.501 -6.376 3.511 164 HG SER 22 HG SER 22 -7.645 -6.295 5.593 165 H THR 23 H THR 23 -6.446 -5.101 0.998 166 HA THR 23 HA THR 23 -4.343 -6.938 1.306 167 HB THR 23 HB THR 23 -4.053 -6.554 -1.221 168 HG1 THR 23 1HG THR 23 -5.630 -5.341 -2.202 169 1HG2 THR 23 1HG2 THR 23 -6.892 -7.180 -0.534 170 2HG2 THR 23 2HG2 THR 23 -5.583 -8.278 -0.098 171 3HG2 THR 23 3HG2 THR 23 -5.867 -7.874 -1.791 172 H LEU 24 H LEU 24 -4.377 -3.498 0.558 173 HA LEU 24 HA LEU 24 -1.692 -3.156 -0.102 174 1HB LEU 24 2HB LEU 24 -3.120 -1.107 1.539 175 2HB LEU 24 1HB LEU 24 -2.035 -0.883 0.188 176 HG LEU 24 HG LEU 24 -4.913 -1.740 0.083 177 1HD1 LEU 24 1HD1 LEU 24 -3.713 0.593 -1.342 178 2HD1 LEU 24 2HD1 LEU 24 -4.141 0.725 0.364 179 3HD1 LEU 24 3HD1 LEU 24 -5.379 0.325 -0.826 180 1HD2 LEU 24 1HD2 LEU 24 -3.740 -3.024 -1.572 181 2HD2 LEU 24 2HD2 LEU 24 -2.863 -1.596 -2.122 182 3HD2 LEU 24 3HD2 LEU 24 -4.602 -1.719 -2.387 183 H GLU 25 H GLU 25 -3.341 -3.108 3.007 184 HA GLU 25 HA GLU 25 -1.088 -2.489 4.582 185 1HB GLU 25 2HB GLU 25 -3.715 -2.675 5.109 186 2HB GLU 25 1HB GLU 25 -3.199 -4.234 5.736 187 1HG GLU 25 2HG GLU 25 -2.017 -1.589 6.552 188 2HG GLU 25 1HG GLU 25 -3.283 -2.441 7.437 189 H ALA 26 H ALA 26 -2.222 -5.433 3.167 190 HA ALA 26 HA ALA 26 -0.658 -7.170 4.745 191 1HB ALA 26 1HB ALA 26 -2.761 -7.573 3.117 192 2HB ALA 26 2HB ALA 26 -1.661 -8.855 3.622 193 3HB ALA 26 3HB ALA 26 -1.443 -8.072 2.057 194 H HIS 27 H HIS 27 -0.268 -5.484 1.717 195 HA HIS 27 HA HIS 27 2.191 -6.769 1.002 196 1HB HIS 27 2HB HIS 27 0.822 -5.777 -0.744 197 2HB HIS 27 1HB HIS 27 0.894 -4.205 0.040 198 HD1 HIS 27 1HD HIS 27 3.104 -6.620 -1.873 199 HD2 HIS 27 2HD HIS 27 3.046 -2.666 -0.598 200 HE1 HIS 27 1HE HIS 27 5.063 -5.482 -2.996 201 H GLN 28 H GLN 28 1.289 -3.609 2.302 202 HA GLN 28 HA GLN 28 3.887 -2.628 2.707 203 1HB GLN 28 2HB GLN 28 1.169 -1.881 3.429 204 2HB GLN 28 1HB GLN 28 2.307 -1.504 4.715 205 1HG GLN 28 2HG GLN 28 3.711 -0.407 2.870 206 2HG GLN 28 1HG GLN 28 2.239 -0.482 1.904 207 1HE2 GLN 28 1HE2 GLN 28 2.965 0.291 5.293 208 2HE2 GLN 28 2HE2 GLN 28 2.134 1.805 5.304 209 H ALA 29 H ALA 29 2.080 -5.040 4.348 210 HA ALA 29 HA ALA 29 3.185 -4.837 6.927 211 1HB ALA 29 1HB ALA 29 1.502 -6.682 5.474 212 2HB ALA 29 2HB ALA 29 1.543 -6.310 7.197 213 3HB ALA 29 3HB ALA 29 2.630 -7.528 6.533 214 H TYR 30 H TYR 30 4.004 -7.225 4.371 215 HA TYR 30 HA TYR 30 6.800 -7.018 5.137 216 1HB TYR 30 2HB TYR 30 5.100 -9.461 5.498 217 2HB TYR 30 1HB TYR 30 6.828 -9.593 5.234 218 HD1 TYR 30 1HD TYR 30 4.252 -8.229 7.498 219 HD2 TYR 30 2HD TYR 30 8.371 -9.165 6.996 220 HE1 TYR 30 1HE TYR 30 4.623 -7.846 9.896 221 HE2 TYR 30 2HE TYR 30 8.755 -8.785 9.396 222 HH TYR 30 HH TYR 30 7.664 -7.479 11.252 223 H TYR 31 H TYR 31 4.878 -6.757 2.669 224 HA TYR 31 HA TYR 31 6.218 -8.639 0.876 225 1HB TYR 31 2HB TYR 31 3.909 -6.746 0.447 226 2HB TYR 31 1HB TYR 31 4.625 -7.707 -0.838 227 HD1 TYR 31 1HD TYR 31 3.468 -8.353 2.667 228 HD2 TYR 31 2HD TYR 31 3.387 -9.552 -1.414 229 HE1 TYR 31 1HE TYR 31 2.005 -10.238 3.257 230 HE2 TYR 31 2HE TYR 31 1.921 -11.440 -0.836 231 HH TYR 31 HH TYR 31 1.421 -12.821 1.216 232 H CYS 32 H CYS 32 5.741 -5.146 1.270 233 HA CYS 32 HA CYS 32 7.186 -4.281 -0.946 234 1HB CYS 32 2HB CYS 32 5.819 -3.040 1.050 235 2HB CYS 32 1HB CYS 32 7.476 -2.637 1.488 236 H SER 33 H SER 33 9.017 -5.581 -1.196 237 HA SER 33 HA SER 33 11.148 -6.330 -0.873 238 1HB SER 33 2HB SER 33 11.707 -4.164 -1.677 239 2HB SER 33 1HB SER 33 11.333 -3.412 -0.126 240 HG SER 33 HG SER 33 13.625 -4.664 -0.966 241 H HIS 34 H HIS 34 11.547 -4.038 1.765 242 HA HIS 34 HA HIS 34 11.186 -6.057 3.798 243 1HB HIS 34 2HB HIS 34 13.911 -5.015 3.049 244 2HB HIS 34 1HB HIS 34 13.568 -5.630 4.661 245 HD1 HIS 34 1HD HIS 34 13.888 -6.737 1.090 246 HD2 HIS 34 2HD HIS 34 13.385 -8.397 4.866 247 HE1 HIS 34 1HE HIS 34 14.248 -9.206 0.791 248 HE2 HIS 34 2HE HIS 34 14.036 -10.178 3.106 249 H ARG 35 H ARG 35 9.961 -4.922 5.160 250 HA ARG 35 HA ARG 35 10.988 -2.342 6.112 251 1HB ARG 35 2HB ARG 35 9.245 -1.784 4.534 252 2HB ARG 35 1HB ARG 35 8.144 -2.931 5.282 253 1HG ARG 35 2HG ARG 35 7.453 -1.427 6.757 254 2HG ARG 35 1HG ARG 35 9.108 -1.024 7.217 255 1HD ARG 35 2HD ARG 35 9.283 0.488 5.314 256 2HD ARG 35 1HD ARG 35 7.649 0.060 4.809 257 HE ARG 35 HE ARG 35 7.711 1.053 7.480 258 1HH1 ARG 35 1HH1 ARG 35 7.761 2.034 4.131 259 2HH1 ARG 35 2HH1 ARG 35 7.087 3.597 4.449 260 1HH2 ARG 35 1HH2 ARG 35 6.823 3.108 7.900 261 2HH2 ARG 35 2HH2 ARG 35 6.553 4.207 6.589 262 H ILE 36 H ILE 36 11.622 -3.000 8.100 263 HA ILE 36 HA ILE 36 9.814 -4.625 9.720 264 HB ILE 36 HB ILE 36 12.185 -5.265 9.656 265 1HG1 ILE 36 2HG1 ILE 36 11.509 -4.207 12.402 266 2HG1 ILE 36 1HG1 ILE 36 10.707 -5.606 11.696 267 1HG2 ILE 36 1HG2 ILE 36 13.856 -3.842 10.802 268 2HG2 ILE 36 2HG2 ILE 36 12.648 -2.561 10.904 269 3HG2 ILE 36 3HG2 ILE 36 13.214 -3.116 9.329 270 1HD1 ILE 36 1HD1 ILE 36 12.311 -6.807 12.650 271 2HD1 ILE 36 2HD1 ILE 36 13.311 -5.385 12.950 272 3HD1 ILE 36 3HD1 ILE 36 13.372 -6.192 11.382 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -9.982 10.237 -0.015 2 2H GLY 1 2HT GLY 1 -10.841 11.657 0.316 3 3H GLY 1 3HT GLY 1 -9.549 11.200 1.308 4 1HA GLY 1 1HA GLY 1 -8.343 11.289 -1.084 5 2HA GLY 1 2HA GLY 1 -9.538 12.567 -1.241 6 H SER 2 H SER 2 -7.131 13.497 -1.409 7 HA SER 2 HA SER 2 -5.626 14.970 -0.551 8 1HB SER 2 2HB SER 2 -7.581 15.257 1.741 9 2HB SER 2 1HB SER 2 -6.349 16.418 1.248 10 HG SER 2 HG SER 2 -8.038 17.200 0.209 11 H LEU 3 H LEU 3 -4.663 15.564 1.892 12 HA LEU 3 HA LEU 3 -3.103 13.304 2.535 13 1HB LEU 3 2HB LEU 3 -2.241 14.673 4.389 14 2HB LEU 3 1HB LEU 3 -2.242 15.534 2.861 15 HG LEU 3 HG LEU 3 -4.633 15.931 4.553 16 1HD1 LEU 3 1HD1 LEU 3 -1.894 16.521 5.485 17 2HD1 LEU 3 2HD1 LEU 3 -3.373 16.237 6.403 18 3HD1 LEU 3 3HD1 LEU 3 -3.083 17.811 5.662 19 1HD2 LEU 3 1HD2 LEU 3 -3.004 17.395 2.574 20 2HD2 LEU 3 2HD2 LEU 3 -3.763 18.366 3.835 21 3HD2 LEU 3 3HD2 LEU 3 -4.753 17.343 2.794 22 H LEU 4 H LEU 4 -2.866 12.891 5.104 23 HA LEU 4 HA LEU 4 -3.724 11.860 6.941 24 1HB LEU 4 2HB LEU 4 -5.548 13.952 6.357 25 2HB LEU 4 1HB LEU 4 -6.498 12.544 6.789 26 HG LEU 4 HG LEU 4 -6.062 13.948 8.736 27 1HD1 LEU 4 1HD1 LEU 4 -5.908 11.269 8.642 28 2HD1 LEU 4 2HD1 LEU 4 -5.785 12.201 10.134 29 3HD1 LEU 4 3HD1 LEU 4 -4.324 11.641 9.322 30 1HD2 LEU 4 1HD2 LEU 4 -3.285 13.741 7.748 31 2HD2 LEU 4 2HD2 LEU 4 -3.510 13.693 9.496 32 3HD2 LEU 4 3HD2 LEU 4 -4.104 15.070 8.568 33 H LYS 5 H LYS 5 -6.630 11.847 4.892 34 HA LYS 5 HA LYS 5 -6.888 8.989 5.254 35 1HB LYS 5 2HB LYS 5 -8.592 11.189 4.252 36 2HB LYS 5 1HB LYS 5 -8.869 9.615 3.518 37 1HG LYS 5 2HG LYS 5 -8.667 9.482 6.414 38 2HG LYS 5 1HG LYS 5 -9.971 10.534 5.862 39 1HD LYS 5 2HD LYS 5 -11.213 8.794 5.225 40 2HD LYS 5 1HD LYS 5 -9.869 8.074 4.337 41 1HE LYS 5 2HE LYS 5 -9.319 6.693 6.034 42 2HE LYS 5 1HE LYS 5 -9.688 7.897 7.269 43 1HZ LYS 5 1HZ LYS 5 -11.172 5.735 6.824 44 2HZ LYS 5 2HZ LYS 5 -11.970 6.839 5.822 45 3HZ LYS 5 3HZ LYS 5 -11.790 7.170 7.472 46 HA PRO 6 HA PRO 6 -4.872 7.927 1.451 47 1HB PRO 6 2HB PRO 6 -5.770 5.402 1.153 48 2HB PRO 6 1HB PRO 6 -4.603 5.844 2.405 49 1HG PRO 6 2HG PRO 6 -7.561 5.436 2.630 50 2HG PRO 6 1HG PRO 6 -6.271 4.892 3.718 51 1HD PRO 6 2HD PRO 6 -7.796 7.096 4.200 52 2HD PRO 6 1HD PRO 6 -6.122 6.931 4.764 53 H ALA 7 H ALA 7 -5.345 7.220 -0.762 54 HA ALA 7 HA ALA 7 -8.071 7.088 -1.655 55 1HB ALA 7 1HB ALA 7 -7.550 9.148 -3.232 56 2HB ALA 7 2HB ALA 7 -6.535 9.622 -1.871 57 3HB ALA 7 3HB ALA 7 -8.263 9.361 -1.632 58 H ARG 8 H ARG 8 -5.606 5.537 -1.842 59 HA ARG 8 HA ARG 8 -5.659 5.082 -4.701 60 1HB ARG 8 2HB ARG 8 -3.722 6.767 -3.847 61 2HB ARG 8 1HB ARG 8 -2.903 5.226 -3.633 62 1HG ARG 8 2HG ARG 8 -2.318 5.445 -5.771 63 2HG ARG 8 1HG ARG 8 -3.975 4.958 -6.131 64 1HD ARG 8 2HD ARG 8 -4.204 6.899 -7.199 65 2HD ARG 8 1HD ARG 8 -4.153 7.681 -5.620 66 HE ARG 8 HE ARG 8 -1.524 7.280 -6.434 67 1HH1 ARG 8 1HH1 ARG 8 -4.317 9.105 -7.460 68 2HH1 ARG 8 2HH1 ARG 8 -3.381 10.377 -8.170 69 1HH2 ARG 8 1HH2 ARG 8 -0.291 8.951 -7.369 70 2HH2 ARG 8 2HH2 ARG 8 -1.095 10.289 -8.120 71 H PHE 9 H PHE 9 -4.832 3.027 -5.307 72 HA PHE 9 HA PHE 9 -4.038 1.235 -3.139 73 1HB PHE 9 2HB PHE 9 -5.689 -0.466 -4.343 74 2HB PHE 9 1HB PHE 9 -6.233 0.590 -3.045 75 HD1 PHE 9 1HD PHE 9 -8.008 2.041 -3.376 76 HD2 PHE 9 2HD PHE 9 -6.039 0.349 -6.747 77 HE1 PHE 9 1HE PHE 9 -9.741 2.974 -4.849 78 HE2 PHE 9 2HE PHE 9 -7.769 1.281 -8.229 79 HZ PHE 9 HZ PHE 9 -9.623 2.596 -7.280 80 H MET 10 H MET 10 -2.066 1.800 -4.521 81 HA MET 10 HA MET 10 -1.455 -0.473 -6.131 82 1HB MET 10 2HB MET 10 -2.664 0.869 -7.799 83 2HB MET 10 1HB MET 10 -1.578 2.220 -7.501 84 1HG MET 10 2HG MET 10 0.285 0.986 -8.378 85 2HG MET 10 1HG MET 10 -0.703 -0.466 -8.536 86 1HE MET 10 1HE MET 10 0.276 2.992 -10.080 87 2HE MET 10 2HE MET 10 -1.300 3.324 -9.361 88 3HE MET 10 3HE MET 10 -1.112 3.333 -11.114 89 H CYS 11 H CYS 11 0.594 -0.943 -5.704 90 HA CYS 11 HA CYS 11 2.304 1.046 -4.477 91 1HB CYS 11 2HB CYS 11 2.046 -1.509 -3.878 92 2HB CYS 11 1HB CYS 11 3.257 -1.711 -5.139 93 H LEU 12 H LEU 12 2.677 2.455 -6.226 94 HA LEU 12 HA LEU 12 3.555 1.786 -8.766 95 1HB LEU 12 2HB LEU 12 4.685 4.197 -7.411 96 2HB LEU 12 1HB LEU 12 4.129 4.011 -9.062 97 HG LEU 12 HG LEU 12 1.809 3.639 -7.652 98 1HD1 LEU 12 1HD1 LEU 12 2.040 5.899 -6.225 99 2HD1 LEU 12 2HD1 LEU 12 3.667 5.250 -6.025 100 3HD1 LEU 12 3HD1 LEU 12 2.269 4.289 -5.542 101 1HD2 LEU 12 1HD2 LEU 12 2.580 6.417 -8.373 102 2HD2 LEU 12 2HD2 LEU 12 1.105 5.521 -8.736 103 3HD2 LEU 12 3HD2 LEU 12 2.582 5.194 -9.643 104 HA PRO 13 HA PRO 13 8.127 2.161 -6.947 105 1HB PRO 13 2HB PRO 13 7.560 0.990 -4.279 106 2HB PRO 13 1HB PRO 13 8.670 2.290 -4.725 107 1HG PRO 13 2HG PRO 13 6.380 2.825 -3.473 108 2HG PRO 13 1HG PRO 13 6.993 3.891 -4.751 109 1HD PRO 13 2HD PRO 13 4.807 1.853 -4.869 110 2HD PRO 13 1HD PRO 13 4.894 3.459 -5.621 111 H CYS 14 H CYS 14 5.727 -0.284 -6.601 112 HA CYS 14 HA CYS 14 7.749 -2.385 -6.945 113 1HB CYS 14 2HB CYS 14 5.036 -2.374 -5.651 114 2HB CYS 14 1HB CYS 14 5.748 -3.870 -6.231 115 H GLY 15 H GLY 15 4.863 -0.888 -8.188 116 1HA GLY 15 2HA GLY 15 4.037 -0.932 -10.334 117 2HA GLY 15 1HA GLY 15 5.279 -2.100 -10.732 118 H ILE 16 H ILE 16 3.047 -2.519 -8.084 119 HA ILE 16 HA ILE 16 1.584 -4.547 -9.637 120 HB ILE 16 HB ILE 16 2.375 -4.909 -6.749 121 1HG1 ILE 16 2HG1 ILE 16 3.618 -6.193 -9.192 122 2HG1 ILE 16 1HG1 ILE 16 4.362 -4.904 -8.251 123 1HG2 ILE 16 1HG2 ILE 16 0.967 -6.594 -8.783 124 2HG2 ILE 16 2HG2 ILE 16 0.484 -6.202 -7.133 125 3HG2 ILE 16 3HG2 ILE 16 1.807 -7.333 -7.420 126 1HD1 ILE 16 1HD1 ILE 16 4.647 -7.630 -7.866 127 2HD1 ILE 16 2HD1 ILE 16 3.573 -7.109 -6.568 128 3HD1 ILE 16 3HD1 ILE 16 5.150 -6.345 -6.768 129 H ALA 17 H ALA 17 -0.380 -3.642 -9.832 130 HA ALA 17 HA ALA 17 -1.528 -2.078 -7.683 131 1HB ALA 17 1HB ALA 17 -1.759 -1.968 -10.403 132 2HB ALA 17 2HB ALA 17 -2.834 -1.167 -9.257 133 3HB ALA 17 3HB ALA 17 -3.276 -2.735 -9.933 134 H PHE 18 H PHE 18 -2.547 -3.006 -6.045 135 HA PHE 18 HA PHE 18 -3.580 -5.692 -6.247 136 1HB PHE 18 2HB PHE 18 -3.046 -3.722 -4.083 137 2HB PHE 18 1HB PHE 18 -4.234 -4.971 -3.775 138 HD1 PHE 18 1HD PHE 18 -3.552 -7.372 -3.890 139 HD2 PHE 18 2HD PHE 18 -0.740 -4.183 -4.078 140 HE1 PHE 18 1HE PHE 18 -1.738 -8.941 -3.337 141 HE2 PHE 18 2HE PHE 18 1.078 -5.745 -3.527 142 HZ PHE 18 HZ PHE 18 0.580 -8.128 -3.155 143 H SER 19 H SER 19 -4.842 -2.451 -5.520 144 HA SER 19 HA SER 19 -6.897 -1.521 -5.810 145 1HB SER 19 2HB SER 19 -6.706 -3.074 -7.970 146 2HB SER 19 1HB SER 19 -8.025 -3.925 -7.165 147 HG SER 19 HG SER 19 -9.057 -2.404 -8.300 148 H SER 20 H SER 20 -6.438 -2.646 -3.394 149 HA SER 20 HA SER 20 -9.079 -3.189 -2.485 150 1HB SER 20 2HB SER 20 -8.495 -5.440 -3.278 151 2HB SER 20 1HB SER 20 -7.055 -5.426 -2.260 152 HG SER 20 HG SER 20 -9.720 -5.774 -1.574 153 HA PRO 21 HA PRO 21 -6.679 -0.942 0.676 154 1HB PRO 21 2HB PRO 21 -9.403 -0.611 1.799 155 2HB PRO 21 1HB PRO 21 -8.183 0.611 1.428 156 1HG PRO 21 2HG PRO 21 -10.361 0.334 -0.091 157 2HG PRO 21 1HG PRO 21 -8.785 0.728 -0.803 158 1HD PRO 21 2HD PRO 21 -10.228 -1.895 -0.723 159 2HD PRO 21 1HD PRO 21 -9.292 -1.163 -2.044 160 H SER 22 H SER 22 -5.981 -3.177 1.184 161 HA SER 22 HA SER 22 -6.257 -3.802 3.866 162 1HB SER 22 2HB SER 22 -8.554 -4.625 2.597 163 2HB SER 22 1HB SER 22 -7.561 -6.080 2.513 164 HG SER 22 HG SER 22 -8.015 -4.612 4.897 165 H THR 23 H THR 23 -6.018 -5.385 0.695 166 HA THR 23 HA THR 23 -3.976 -7.199 1.463 167 HB THR 23 HB THR 23 -4.299 -6.185 -1.349 168 HG1 THR 23 1HG THR 23 -6.096 -7.822 0.091 169 1HG2 THR 23 1HG2 THR 23 -4.094 -8.646 -1.836 170 2HG2 THR 23 2HG2 THR 23 -3.649 -8.852 -0.142 171 3HG2 THR 23 3HG2 THR 23 -2.652 -7.855 -1.202 172 H LEU 24 H LEU 24 -4.091 -3.896 0.438 173 HA LEU 24 HA LEU 24 -1.412 -3.511 -0.307 174 1HB LEU 24 2HB LEU 24 -2.971 -1.375 1.092 175 2HB LEU 24 1HB LEU 24 -1.894 -1.240 -0.280 176 HG LEU 24 HG LEU 24 -4.750 -2.158 -0.245 177 1HD1 LEU 24 1HD1 LEU 24 -3.297 -0.006 -1.772 178 2HD1 LEU 24 2HD1 LEU 24 -4.367 0.237 -0.391 179 3HD1 LEU 24 3HD1 LEU 24 -5.012 -0.388 -1.907 180 1HD2 LEU 24 1HD2 LEU 24 -3.940 -3.734 -1.707 181 2HD2 LEU 24 2HD2 LEU 24 -2.615 -2.705 -2.252 182 3HD2 LEU 24 3HD2 LEU 24 -4.261 -2.390 -2.804 183 H GLU 25 H GLU 25 -3.131 -3.204 2.746 184 HA GLU 25 HA GLU 25 -0.920 -2.374 4.294 185 1HB GLU 25 2HB GLU 25 -3.557 -2.503 4.763 186 2HB GLU 25 1HB GLU 25 -3.077 -3.992 5.560 187 1HG GLU 25 2HG GLU 25 -1.393 -1.716 6.252 188 2HG GLU 25 1HG GLU 25 -3.089 -1.491 6.676 189 H ALA 26 H ALA 26 -2.049 -5.446 3.178 190 HA ALA 26 HA ALA 26 -0.469 -7.015 4.920 191 1HB ALA 26 1HB ALA 26 -2.146 -8.352 4.203 192 2HB ALA 26 2HB ALA 26 -1.007 -8.713 2.906 193 3HB ALA 26 3HB ALA 26 -2.279 -7.518 2.654 194 H HIS 27 H HIS 27 -0.170 -5.644 1.739 195 HA HIS 27 HA HIS 27 2.240 -6.990 1.013 196 1HB HIS 27 2HB HIS 27 0.837 -6.112 -0.737 197 2HB HIS 27 1HB HIS 27 0.869 -4.503 -0.032 198 HD1 HIS 27 1HD HIS 27 3.027 -6.887 -2.011 199 HD2 HIS 27 2HD HIS 27 3.004 -2.935 -0.728 200 HE1 HIS 27 1HE HIS 27 4.910 -5.730 -3.240 201 H GLN 28 H GLN 28 1.484 -3.704 2.089 202 HA GLN 28 HA GLN 28 4.154 -2.837 2.358 203 1HB GLN 28 2HB GLN 28 1.531 -1.790 2.806 204 2HB GLN 28 1HB GLN 28 2.503 -1.472 4.234 205 1HG GLN 28 2HG GLN 28 3.603 -0.854 1.535 206 2HG GLN 28 1HG GLN 28 2.430 0.234 2.275 207 1HE2 GLN 28 1HE2 GLN 28 5.611 -0.254 1.846 208 2HE2 GLN 28 2HE2 GLN 28 6.238 0.545 3.243 209 H ALA 29 H ALA 29 2.236 -4.950 4.235 210 HA ALA 29 HA ALA 29 3.401 -4.487 6.780 211 1HB ALA 29 1HB ALA 29 1.622 -6.523 5.582 212 2HB ALA 29 2HB ALA 29 1.438 -5.579 7.060 213 3HB ALA 29 3HB ALA 29 2.505 -6.982 7.038 214 H TYR 30 H TYR 30 3.862 -7.233 4.509 215 HA TYR 30 HA TYR 30 6.654 -7.355 5.371 216 1HB TYR 30 2HB TYR 30 4.589 -9.477 5.738 217 2HB TYR 30 1HB TYR 30 6.244 -9.954 5.390 218 HD1 TYR 30 1HD TYR 30 4.243 -7.853 7.724 219 HD2 TYR 30 2HD TYR 30 7.791 -10.123 7.127 220 HE1 TYR 30 1HE TYR 30 4.810 -7.579 10.101 221 HE2 TYR 30 2HE TYR 30 8.369 -9.855 9.503 222 HH TYR 30 HH TYR 30 6.721 -7.660 11.560 223 H TYR 31 H TYR 31 4.833 -6.924 2.813 224 HA TYR 31 HA TYR 31 6.244 -8.858 1.107 225 1HB TYR 31 2HB TYR 31 3.598 -8.244 1.144 226 2HB TYR 31 1HB TYR 31 4.172 -7.164 -0.123 227 HD1 TYR 31 1HD TYR 31 3.942 -10.700 0.922 228 HD2 TYR 31 2HD TYR 31 4.780 -8.007 -2.263 229 HE1 TYR 31 1HE TYR 31 3.911 -12.577 -0.664 230 HE2 TYR 31 2HE TYR 31 4.751 -9.877 -3.860 231 HH TYR 31 HH TYR 31 3.405 -12.665 -3.404 232 H CYS 32 H CYS 32 5.599 -5.409 1.512 233 HA CYS 32 HA CYS 32 7.152 -4.636 -0.766 234 1HB CYS 32 2HB CYS 32 5.247 -3.348 0.534 235 2HB CYS 32 1HB CYS 32 6.602 -2.745 1.483 236 H SER 33 H SER 33 9.247 -5.206 -0.734 237 HA SER 33 HA SER 33 11.402 -5.494 -0.026 238 1HB SER 33 2HB SER 33 10.632 -2.738 0.227 239 2HB SER 33 1HB SER 33 11.814 -3.129 1.476 240 HG SER 33 HG SER 33 12.492 -2.481 -0.820 241 H HIS 34 H HIS 34 12.837 -4.702 2.169 242 HA HIS 34 HA HIS 34 11.603 -6.328 4.273 243 1HB HIS 34 2HB HIS 34 14.488 -5.452 4.078 244 2HB HIS 34 1HB HIS 34 13.819 -6.707 5.116 245 HD1 HIS 34 1HD HIS 34 15.530 -6.270 1.993 246 HD2 HIS 34 2HD HIS 34 12.716 -8.947 3.469 247 HE1 HIS 34 1HE HIS 34 15.642 -8.268 0.471 248 HE2 HIS 34 2HE HIS 34 13.995 -9.912 1.438 249 H ARG 35 H ARG 35 10.258 -4.731 5.162 250 HA ARG 35 HA ARG 35 11.548 -2.363 6.293 251 1HB ARG 35 2HB ARG 35 9.206 -2.545 5.013 252 2HB ARG 35 1HB ARG 35 8.637 -2.856 6.647 253 1HG ARG 35 2HG ARG 35 9.805 -0.736 7.338 254 2HG ARG 35 1HG ARG 35 10.046 -0.410 5.620 255 1HD ARG 35 2HD ARG 35 8.085 0.719 6.003 256 2HD ARG 35 1HD ARG 35 7.468 -0.850 5.491 257 HE ARG 35 HE ARG 35 7.631 -1.104 8.176 258 1HH1 ARG 35 1HH1 ARG 35 6.168 1.285 6.095 259 2HH1 ARG 35 2HH1 ARG 35 4.911 1.678 7.220 260 1HH2 ARG 35 1HH2 ARG 35 5.978 -0.589 9.657 261 2HH2 ARG 35 2HH2 ARG 35 4.804 0.615 9.243 262 H ILE 36 H ILE 36 11.882 -2.075 8.423 263 HA ILE 36 HA ILE 36 10.810 -4.109 10.266 264 HB ILE 36 HB ILE 36 13.214 -4.467 9.877 265 1HG1 ILE 36 2HG1 ILE 36 13.775 -3.800 12.485 266 2HG1 ILE 36 1HG1 ILE 36 12.015 -3.846 12.485 267 1HG2 ILE 36 1HG2 ILE 36 14.796 -2.749 10.842 268 2HG2 ILE 36 2HG2 ILE 36 13.436 -1.627 10.839 269 3HG2 ILE 36 3HG2 ILE 36 14.015 -2.316 9.323 270 1HD1 ILE 36 1HD1 ILE 36 11.941 -6.089 12.045 271 2HD1 ILE 36 2HD1 ILE 36 13.412 -5.984 13.012 272 3HD1 ILE 36 3HD1 ILE 36 13.517 -6.099 11.255 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -9.298 12.867 4.405 2 2H GLY 1 2HT GLY 1 -10.798 13.603 4.144 3 3H GLY 1 3HT GLY 1 -9.424 14.554 4.403 4 1HA GLY 1 1HA GLY 1 -9.844 12.762 2.075 5 2HA GLY 1 2HA GLY 1 -10.074 14.504 2.055 6 H SER 2 H SER 2 -8.064 12.288 0.981 7 HA SER 2 HA SER 2 -5.914 12.277 0.248 8 1HB SER 2 2HB SER 2 -6.150 15.220 0.897 9 2HB SER 2 1HB SER 2 -4.733 14.510 0.125 10 HG SER 2 HG SER 2 -6.294 13.693 -1.482 11 H LEU 3 H LEU 3 -5.463 14.784 2.717 12 HA LEU 3 HA LEU 3 -3.256 13.362 3.859 13 1HB LEU 3 2HB LEU 3 -3.316 15.232 5.549 14 2HB LEU 3 1HB LEU 3 -3.087 15.714 3.878 15 HG LEU 3 HG LEU 3 -5.890 15.705 4.790 16 1HD1 LEU 3 1HD1 LEU 3 -3.790 17.237 6.194 17 2HD1 LEU 3 2HD1 LEU 3 -5.365 16.685 6.759 18 3HD1 LEU 3 3HD1 LEU 3 -5.248 18.119 5.740 19 1HD2 LEU 3 1HD2 LEU 3 -4.643 16.610 2.611 20 2HD2 LEU 3 2HD2 LEU 3 -4.547 18.062 3.607 21 3HD2 LEU 3 3HD2 LEU 3 -6.116 17.345 3.242 22 H LEU 4 H LEU 4 -3.090 12.504 5.954 23 HA LEU 4 HA LEU 4 -3.757 11.352 7.797 24 1HB LEU 4 2HB LEU 4 -5.468 13.614 7.680 25 2HB LEU 4 1HB LEU 4 -6.455 12.238 8.136 26 HG LEU 4 HG LEU 4 -5.658 13.360 10.120 27 1HD1 LEU 4 1HD1 LEU 4 -5.191 11.472 11.260 28 2HD1 LEU 4 2HD1 LEU 4 -3.883 11.007 10.171 29 3HD1 LEU 4 3HD1 LEU 4 -5.560 10.705 9.714 30 1HD2 LEU 4 1HD2 LEU 4 -3.081 13.265 8.675 31 2HD2 LEU 4 2HD2 LEU 4 -3.019 13.028 10.422 32 3HD2 LEU 4 3HD2 LEU 4 -3.735 14.496 9.756 33 H LYS 5 H LYS 5 -6.941 11.740 6.268 34 HA LYS 5 HA LYS 5 -7.453 8.926 6.461 35 1HB LYS 5 2HB LYS 5 -8.962 11.337 5.639 36 2HB LYS 5 1HB LYS 5 -9.478 9.818 4.919 37 1HG LYS 5 2HG LYS 5 -9.061 9.576 7.774 38 2HG LYS 5 1HG LYS 5 -10.240 10.826 7.375 39 1HD LYS 5 2HD LYS 5 -11.563 8.931 7.523 40 2HD LYS 5 1HD LYS 5 -11.232 9.020 5.792 41 1HE LYS 5 2HE LYS 5 -9.642 7.295 5.896 42 2HE LYS 5 1HE LYS 5 -9.510 7.410 7.650 43 1HZ LYS 5 1HZ LYS 5 -10.961 5.568 6.411 44 2HZ LYS 5 2HZ LYS 5 -12.144 6.761 6.610 45 3HZ LYS 5 3HZ LYS 5 -11.330 6.145 7.958 46 HA PRO 6 HA PRO 6 -5.463 8.195 2.470 47 1HB PRO 6 2HB PRO 6 -5.629 5.488 2.565 48 2HB PRO 6 1HB PRO 6 -4.397 6.404 3.440 49 1HG PRO 6 2HG PRO 6 -6.974 5.257 4.444 50 2HG PRO 6 1HG PRO 6 -5.371 5.236 5.202 51 1HD PRO 6 2HD PRO 6 -7.299 6.988 5.931 52 2HD PRO 6 1HD PRO 6 -5.572 7.398 5.981 53 H ALA 7 H ALA 7 -6.177 7.570 0.428 54 HA ALA 7 HA ALA 7 -8.764 6.316 0.103 55 1HB ALA 7 1HB ALA 7 -8.611 8.872 -1.357 56 2HB ALA 7 2HB ALA 7 -8.859 8.992 0.384 57 3HB ALA 7 3HB ALA 7 -9.991 8.073 -0.607 58 H ARG 8 H ARG 8 -5.983 5.779 -0.631 59 HA ARG 8 HA ARG 8 -6.415 5.402 -3.500 60 1HB ARG 8 2HB ARG 8 -4.236 6.963 -2.241 61 2HB ARG 8 1HB ARG 8 -3.755 5.862 -3.524 62 1HG ARG 8 2HG ARG 8 -6.042 7.722 -3.968 63 2HG ARG 8 1HG ARG 8 -4.387 8.326 -4.070 64 1HD ARG 8 2HD ARG 8 -3.854 6.819 -5.824 65 2HD ARG 8 1HD ARG 8 -5.346 5.910 -5.586 66 HE ARG 8 HE ARG 8 -6.019 8.549 -6.214 67 1HH1 ARG 8 1HH1 ARG 8 -4.535 5.771 -7.718 68 2HH1 ARG 8 2HH1 ARG 8 -5.045 6.207 -9.314 69 1HH2 ARG 8 1HH2 ARG 8 -6.692 9.123 -8.313 70 2HH2 ARG 8 2HH2 ARG 8 -6.269 8.110 -9.653 71 H PHE 9 H PHE 9 -4.614 3.909 -4.389 72 HA PHE 9 HA PHE 9 -3.509 2.054 -2.468 73 1HB PHE 9 2HB PHE 9 -4.660 0.083 -3.418 74 2HB PHE 9 1HB PHE 9 -5.784 1.200 -2.655 75 HD1 PHE 9 1HD PHE 9 -7.599 2.054 -3.836 76 HD2 PHE 9 2HD PHE 9 -4.417 0.174 -5.946 77 HE1 PHE 9 1HE PHE 9 -8.928 2.135 -5.906 78 HE2 PHE 9 2HE PHE 9 -5.740 0.252 -8.019 79 HZ PHE 9 HZ PHE 9 -7.999 1.232 -8.000 80 H MET 10 H MET 10 -2.841 -0.037 -4.046 81 HA MET 10 HA MET 10 -1.516 -0.777 -5.751 82 1HB MET 10 2HB MET 10 -3.010 1.077 -7.032 83 2HB MET 10 1HB MET 10 -1.419 1.800 -7.203 84 1HG MET 10 2HG MET 10 -0.649 -0.432 -8.104 85 2HG MET 10 1HG MET 10 -2.353 -0.878 -8.181 86 1HE MET 10 1HE MET 10 0.553 0.885 -9.441 87 2HE MET 10 2HE MET 10 -0.174 2.490 -9.514 88 3HE MET 10 3HE MET 10 0.100 1.578 -10.998 89 H CYS 11 H CYS 11 0.635 -0.988 -5.744 90 HA CYS 11 HA CYS 11 2.199 1.104 -4.425 91 1HB CYS 11 2HB CYS 11 2.183 -1.539 -3.949 92 2HB CYS 11 1HB CYS 11 3.446 -1.489 -5.174 93 H LEU 12 H LEU 12 2.423 2.576 -6.124 94 HA LEU 12 HA LEU 12 3.150 2.020 -8.741 95 1HB LEU 12 2HB LEU 12 4.241 4.457 -7.401 96 2HB LEU 12 1HB LEU 12 3.580 4.278 -9.013 97 HG LEU 12 HG LEU 12 1.391 3.744 -7.455 98 1HD1 LEU 12 1HD1 LEU 12 1.582 5.969 -5.983 99 2HD1 LEU 12 2HD1 LEU 12 3.264 5.442 -5.928 100 3HD1 LEU 12 3HD1 LEU 12 1.983 4.368 -5.365 101 1HD2 LEU 12 1HD2 LEU 12 2.418 6.064 -8.972 102 2HD2 LEU 12 2HD2 LEU 12 1.045 6.359 -7.904 103 3HD2 LEU 12 3HD2 LEU 12 0.929 5.142 -9.175 104 HA PRO 13 HA PRO 13 7.760 2.278 -7.523 105 1HB PRO 13 2HB PRO 13 8.498 2.466 -4.959 106 2HB PRO 13 1HB PRO 13 7.969 3.887 -5.867 107 1HG PRO 13 2HG PRO 13 6.463 2.236 -3.882 108 2HG PRO 13 1HG PRO 13 6.481 3.996 -4.092 109 1HD PRO 13 2HD PRO 13 4.513 2.313 -5.059 110 2HD PRO 13 1HD PRO 13 4.861 3.931 -5.694 111 H CYS 14 H CYS 14 6.343 -0.024 -7.836 112 HA CYS 14 HA CYS 14 8.035 -1.952 -6.531 113 1HB CYS 14 2HB CYS 14 5.406 -1.401 -5.503 114 2HB CYS 14 1HB CYS 14 5.463 -3.041 -6.135 115 H GLY 15 H GLY 15 5.127 -1.471 -8.499 116 1HA GLY 15 2HA GLY 15 5.291 -2.128 -10.853 117 2HA GLY 15 1HA GLY 15 6.100 -3.572 -10.283 118 H ILE 16 H ILE 16 4.169 -3.737 -7.987 119 HA ILE 16 HA ILE 16 2.163 -5.279 -9.397 120 HB ILE 16 HB ILE 16 2.395 -4.856 -6.419 121 1HG1 ILE 16 2HG1 ILE 16 3.372 -7.408 -7.408 122 2HG1 ILE 16 1HG1 ILE 16 4.294 -6.066 -8.079 123 1HG2 ILE 16 1HG2 ILE 16 0.839 -6.683 -8.183 124 2HG2 ILE 16 2HG2 ILE 16 0.338 -5.820 -6.729 125 3HG2 ILE 16 3HG2 ILE 16 1.353 -7.257 -6.596 126 1HD1 ILE 16 1HD1 ILE 16 5.491 -6.211 -6.209 127 2HD1 ILE 16 2HD1 ILE 16 4.250 -7.149 -5.376 128 3HD1 ILE 16 3HD1 ILE 16 4.133 -5.390 -5.440 129 H ALA 17 H ALA 17 -0.135 -5.085 -8.895 130 HA ALA 17 HA ALA 17 -0.978 -2.427 -7.991 131 1HB ALA 17 1HB ALA 17 -0.757 -2.714 -10.585 132 2HB ALA 17 2HB ALA 17 -2.149 -1.883 -9.892 133 3HB ALA 17 3HB ALA 17 -2.295 -3.561 -10.415 134 H PHE 18 H PHE 18 -2.283 -2.818 -6.327 135 HA PHE 18 HA PHE 18 -3.805 -5.253 -6.139 136 1HB PHE 18 2HB PHE 18 -3.292 -2.895 -4.351 137 2HB PHE 18 1HB PHE 18 -4.498 -4.094 -3.948 138 HD1 PHE 18 1HD PHE 18 -3.586 -6.613 -4.190 139 HD2 PHE 18 2HD PHE 18 -1.221 -3.159 -3.423 140 HE1 PHE 18 1HE PHE 18 -1.837 -8.034 -3.200 141 HE2 PHE 18 2HE PHE 18 0.531 -4.574 -2.433 142 HZ PHE 18 HZ PHE 18 0.225 -7.015 -2.320 143 H SER 19 H SER 19 -6.083 -4.526 -4.849 144 HA SER 19 HA SER 19 -7.475 -2.474 -6.330 145 1HB SER 19 2HB SER 19 -7.736 -5.337 -6.990 146 2HB SER 19 1HB SER 19 -9.263 -4.483 -6.772 147 HG SER 19 HG SER 19 -7.151 -3.677 -8.491 148 H SER 20 H SER 20 -6.824 -3.126 -3.531 149 HA SER 20 HA SER 20 -9.370 -2.538 -2.405 150 1HB SER 20 2HB SER 20 -9.234 -5.141 -2.746 151 2HB SER 20 1HB SER 20 -8.217 -5.074 -1.306 152 HG SER 20 HG SER 20 -10.807 -3.928 -1.467 153 HA PRO 21 HA PRO 21 -6.587 -0.831 0.596 154 1HB PRO 21 2HB PRO 21 -8.331 0.037 2.420 155 2HB PRO 21 1HB PRO 21 -8.293 0.730 0.794 156 1HG PRO 21 2HG PRO 21 -10.178 -1.278 1.954 157 2HG PRO 21 1HG PRO 21 -10.520 0.088 0.879 158 1HD PRO 21 2HD PRO 21 -10.242 -2.546 0.062 159 2HD PRO 21 1HD PRO 21 -10.057 -1.130 -0.990 160 H SER 22 H SER 22 -6.687 -3.645 0.773 161 HA SER 22 HA SER 22 -6.335 -3.985 3.659 162 1HB SER 22 2HB SER 22 -8.574 -4.997 2.462 163 2HB SER 22 1HB SER 22 -7.456 -6.349 2.278 164 HG SER 22 HG SER 22 -7.039 -5.992 4.619 165 H THR 23 H THR 23 -5.950 -5.444 0.441 166 HA THR 23 HA THR 23 -3.848 -7.181 1.132 167 HB THR 23 HB THR 23 -3.827 -6.021 -1.594 168 HG1 THR 23 1HG THR 23 -5.784 -6.787 -2.156 169 1HG2 THR 23 1HG2 THR 23 -3.640 -8.246 -2.323 170 2HG2 THR 23 2HG2 THR 23 -4.204 -8.881 -0.777 171 3HG2 THR 23 3HG2 THR 23 -2.618 -8.118 -0.892 172 H LEU 24 H LEU 24 -3.989 -3.792 0.368 173 HA LEU 24 HA LEU 24 -1.270 -3.332 -0.162 174 1HB LEU 24 2HB LEU 24 -2.936 -1.309 1.276 175 2HB LEU 24 1HB LEU 24 -1.768 -1.073 -0.004 176 HG LEU 24 HG LEU 24 -4.590 -2.066 -0.266 177 1HD1 LEU 24 1HD1 LEU 24 -3.453 0.175 -1.835 178 2HD1 LEU 24 2HD1 LEU 24 -3.797 0.456 -0.128 179 3HD1 LEU 24 3HD1 LEU 24 -5.087 -0.063 -1.215 180 1HD2 LEU 24 1HD2 LEU 24 -2.571 -1.811 -2.483 181 2HD2 LEU 24 2HD2 LEU 24 -4.218 -2.431 -2.589 182 3HD2 LEU 24 3HD2 LEU 24 -2.989 -3.340 -1.711 183 H GLU 25 H GLU 25 -3.186 -3.271 2.782 184 HA GLU 25 HA GLU 25 -1.100 -2.518 4.524 185 1HB GLU 25 2HB GLU 25 -3.756 -2.767 4.820 186 2HB GLU 25 1HB GLU 25 -3.267 -4.299 5.525 187 1HG GLU 25 2HG GLU 25 -1.739 -1.994 6.481 188 2HG GLU 25 1HG GLU 25 -3.461 -1.935 6.858 189 H ALA 26 H ALA 26 -2.100 -5.533 3.144 190 HA ALA 26 HA ALA 26 -0.517 -7.172 4.824 191 1HB ALA 26 1HB ALA 26 -2.612 -7.694 3.216 192 2HB ALA 26 2HB ALA 26 -1.485 -8.928 3.779 193 3HB ALA 26 3HB ALA 26 -1.282 -8.212 2.179 194 H HIS 27 H HIS 27 -0.193 -5.577 1.758 195 HA HIS 27 HA HIS 27 2.270 -6.808 0.994 196 1HB HIS 27 2HB HIS 27 0.803 -5.862 -0.696 197 2HB HIS 27 1HB HIS 27 0.882 -4.281 0.069 198 HD1 HIS 27 1HD HIS 27 2.944 -6.631 -2.041 199 HD2 HIS 27 2HD HIS 27 3.048 -2.742 -0.588 200 HE1 HIS 27 1HE HIS 27 4.823 -5.465 -3.268 201 H GLN 28 H GLN 28 1.371 -3.642 2.287 202 HA GLN 28 HA GLN 28 4.009 -2.693 2.633 203 1HB GLN 28 2HB GLN 28 1.343 -1.764 3.102 204 2HB GLN 28 1HB GLN 28 2.288 -1.496 4.560 205 1HG GLN 28 2HG GLN 28 3.407 -0.688 1.922 206 2HG GLN 28 1HG GLN 28 2.174 0.311 2.687 207 1HE2 GLN 28 1HE2 GLN 28 3.162 2.006 3.527 208 2HE2 GLN 28 2HE2 GLN 28 4.583 1.968 4.509 209 H ALA 29 H ALA 29 2.136 -4.984 4.329 210 HA ALA 29 HA ALA 29 3.228 -4.649 6.925 211 1HB ALA 29 1HB ALA 29 1.620 -6.741 5.553 212 2HB ALA 29 2HB ALA 29 1.261 -5.809 7.006 213 3HB ALA 29 3HB ALA 29 2.412 -7.142 7.077 214 H TYR 30 H TYR 30 3.842 -7.235 4.503 215 HA TYR 30 HA TYR 30 6.634 -7.255 5.325 216 1HB TYR 30 2HB TYR 30 4.689 -9.486 5.758 217 2HB TYR 30 1HB TYR 30 6.378 -9.847 5.442 218 HD1 TYR 30 1HD TYR 30 3.989 -8.505 7.838 219 HD2 TYR 30 2HD TYR 30 8.114 -9.198 7.062 220 HE1 TYR 30 1HE TYR 30 4.491 -8.132 10.215 221 HE2 TYR 30 2HE TYR 30 8.629 -8.828 9.438 222 HH TYR 30 HH TYR 30 7.701 -7.762 11.379 223 H TYR 31 H TYR 31 4.848 -6.834 2.813 224 HA TYR 31 HA TYR 31 6.229 -8.792 1.101 225 1HB TYR 31 2HB TYR 31 3.541 -8.134 1.192 226 2HB TYR 31 1HB TYR 31 4.131 -7.250 -0.213 227 HD1 TYR 31 1HD TYR 31 4.668 -10.639 1.285 228 HD2 TYR 31 2HD TYR 31 3.845 -8.361 -2.212 229 HE1 TYR 31 1HE TYR 31 4.574 -12.711 -0.035 230 HE2 TYR 31 2HE TYR 31 3.746 -10.427 -3.542 231 HH TYR 31 HH TYR 31 4.899 -13.365 -2.462 232 H CYS 32 H CYS 32 5.583 -5.365 1.568 233 HA CYS 32 HA CYS 32 6.968 -4.546 -0.802 234 1HB CYS 32 2HB CYS 32 5.165 -3.257 0.573 235 2HB CYS 32 1HB CYS 32 6.529 -2.749 1.563 236 H SER 33 H SER 33 9.033 -5.313 -0.845 237 HA SER 33 HA SER 33 11.218 -5.647 -0.258 238 1HB SER 33 2HB SER 33 11.000 -2.863 0.897 239 2HB SER 33 1HB SER 33 12.426 -3.633 0.202 240 HG SER 33 HG SER 33 11.770 -3.070 -1.712 241 H HIS 34 H HIS 34 12.828 -4.794 1.780 242 HA HIS 34 HA HIS 34 11.814 -6.378 3.987 243 1HB HIS 34 2HB HIS 34 14.487 -5.298 3.195 244 2HB HIS 34 1HB HIS 34 14.216 -5.739 4.878 245 HD1 HIS 34 1HD HIS 34 15.730 -7.135 2.121 246 HD2 HIS 34 2HD HIS 34 12.807 -8.561 4.707 247 HE1 HIS 34 1HE HIS 34 15.808 -9.639 1.909 248 HE2 HIS 34 2HE HIS 34 13.968 -10.475 3.414 249 H ARG 35 H ARG 35 10.145 -4.793 4.544 250 HA ARG 35 HA ARG 35 10.932 -2.244 5.605 251 1HB ARG 35 2HB ARG 35 8.615 -3.131 4.603 252 2HB ARG 35 1HB ARG 35 8.296 -3.425 6.307 253 1HG ARG 35 2HG ARG 35 9.407 -0.779 5.743 254 2HG ARG 35 1HG ARG 35 7.836 -1.082 4.999 255 1HD ARG 35 2HD ARG 35 6.773 -0.983 6.963 256 2HD ARG 35 1HD ARG 35 7.974 -2.000 7.758 257 HE ARG 35 HE ARG 35 8.972 -0.114 8.572 258 1HH1 ARG 35 1HH1 ARG 35 6.876 0.786 5.930 259 2HH1 ARG 35 2HH1 ARG 35 7.081 2.487 6.182 260 1HH2 ARG 35 1HH2 ARG 35 9.242 2.123 8.906 261 2HH2 ARG 35 2HH2 ARG 35 8.424 3.247 7.872 262 H ILE 36 H ILE 36 12.001 -2.083 7.459 263 HA ILE 36 HA ILE 36 10.986 -3.498 9.801 264 HB ILE 36 HB ILE 36 12.763 -4.951 8.946 265 1HG1 ILE 36 2HG1 ILE 36 14.064 -3.692 11.306 266 2HG1 ILE 36 1HG1 ILE 36 12.396 -4.222 11.500 267 1HG2 ILE 36 1HG2 ILE 36 15.144 -3.707 9.394 268 2HG2 ILE 36 2HG2 ILE 36 14.180 -2.400 8.706 269 3HG2 ILE 36 3HG2 ILE 36 14.389 -3.906 7.812 270 1HD1 ILE 36 1HD1 ILE 36 12.979 -6.367 11.581 271 2HD1 ILE 36 2HD1 ILE 36 14.618 -5.771 11.847 272 3HD1 ILE 36 3HD1 ILE 36 14.092 -6.212 10.222 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -9.781 11.469 2.299 2 2H GLY 1 2HT GLY 1 -10.381 12.948 1.741 3 3H GLY 1 3HT GLY 1 -9.079 12.917 2.820 4 1HA GLY 1 1HA GLY 1 -8.205 11.374 0.757 5 2HA GLY 1 2HA GLY 1 -9.097 12.662 -0.037 6 H SER 2 H SER 2 -6.902 13.135 -0.884 7 HA SER 2 HA SER 2 -5.103 14.520 -0.997 8 1HB SER 2 2HB SER 2 -6.784 15.754 1.101 9 2HB SER 2 1HB SER 2 -5.089 16.242 1.098 10 HG SER 2 HG SER 2 -6.584 17.494 -0.265 11 H LEU 3 H LEU 3 -5.370 14.477 2.540 12 HA LEU 3 HA LEU 3 -2.968 12.792 2.666 13 1HB LEU 3 2HB LEU 3 -2.176 14.270 4.561 14 2HB LEU 3 1HB LEU 3 -2.048 14.938 2.945 15 HG LEU 3 HG LEU 3 -4.531 15.597 4.406 16 1HD1 LEU 3 1HD1 LEU 3 -1.839 16.237 5.444 17 2HD1 LEU 3 2HD1 LEU 3 -3.379 16.085 6.290 18 3HD1 LEU 3 3HD1 LEU 3 -3.008 17.558 5.394 19 1HD2 LEU 3 1HD2 LEU 3 -3.372 16.425 2.101 20 2HD2 LEU 3 2HD2 LEU 3 -2.825 17.673 3.220 21 3HD2 LEU 3 3HD2 LEU 3 -4.550 17.364 3.019 22 H LEU 4 H LEU 4 -2.543 12.273 5.122 23 HA LEU 4 HA LEU 4 -3.226 11.195 7.004 24 1HB LEU 4 2HB LEU 4 -5.119 13.335 6.641 25 2HB LEU 4 1HB LEU 4 -5.924 11.938 7.328 26 HG LEU 4 HG LEU 4 -5.085 13.545 9.025 27 1HD1 LEU 4 1HD1 LEU 4 -4.353 10.685 8.910 28 2HD1 LEU 4 2HD1 LEU 4 -5.360 11.558 10.067 29 3HD1 LEU 4 3HD1 LEU 4 -3.602 11.646 10.184 30 1HD2 LEU 4 1HD2 LEU 4 -2.889 13.780 7.487 31 2HD2 LEU 4 2HD2 LEU 4 -2.309 12.619 8.679 32 3HD2 LEU 4 3HD2 LEU 4 -2.930 14.184 9.203 33 H LYS 5 H LYS 5 -6.385 11.380 5.392 34 HA LYS 5 HA LYS 5 -6.712 8.525 5.659 35 1HB LYS 5 2HB LYS 5 -8.435 10.823 4.906 36 2HB LYS 5 1HB LYS 5 -8.883 9.249 4.262 37 1HG LYS 5 2HG LYS 5 -8.748 8.403 6.653 38 2HG LYS 5 1HG LYS 5 -8.689 10.100 7.131 39 1HD LYS 5 2HD LYS 5 -10.831 10.527 6.204 40 2HD LYS 5 1HD LYS 5 -10.856 8.971 5.372 41 1HE LYS 5 2HE LYS 5 -10.465 8.486 8.145 42 2HE LYS 5 1HE LYS 5 -11.810 9.613 7.971 43 1HZ LYS 5 1HZ LYS 5 -11.681 7.187 6.302 44 2HZ LYS 5 2HZ LYS 5 -13.032 8.097 6.756 45 3HZ LYS 5 3HZ LYS 5 -12.268 7.099 7.887 46 HA PRO 6 HA PRO 6 -4.900 7.859 1.589 47 1HB PRO 6 2HB PRO 6 -5.221 5.153 1.578 48 2HB PRO 6 1HB PRO 6 -3.905 5.970 2.429 49 1HG PRO 6 2HG PRO 6 -6.492 4.920 3.506 50 2HG PRO 6 1HG PRO 6 -4.862 4.800 4.194 51 1HD PRO 6 2HD PRO 6 -6.662 6.609 5.071 52 2HD PRO 6 1HD PRO 6 -4.920 6.952 5.032 53 H ALA 7 H ALA 7 -5.654 6.261 -0.289 54 HA ALA 7 HA ALA 7 -8.394 5.675 -0.564 55 1HB ALA 7 1HB ALA 7 -8.629 7.553 -2.442 56 2HB ALA 7 2HB ALA 7 -7.542 8.402 -1.342 57 3HB ALA 7 3HB ALA 7 -9.104 7.820 -0.765 58 H ARG 8 H ARG 8 -5.406 6.603 -2.195 59 HA ARG 8 HA ARG 8 -6.039 5.250 -4.634 60 1HB ARG 8 2HB ARG 8 -4.268 7.172 -4.026 61 2HB ARG 8 1HB ARG 8 -3.205 5.775 -3.922 62 1HG ARG 8 2HG ARG 8 -4.029 5.141 -6.227 63 2HG ARG 8 1HG ARG 8 -4.765 6.743 -6.297 64 1HD ARG 8 2HD ARG 8 -2.137 7.157 -5.423 65 2HD ARG 8 1HD ARG 8 -2.023 5.964 -6.716 66 HE ARG 8 HE ARG 8 -3.703 8.143 -7.445 67 1HH1 ARG 8 1HH1 ARG 8 -0.361 7.191 -7.120 68 2HH1 ARG 8 2HH1 ARG 8 0.205 8.318 -8.306 69 1HH2 ARG 8 1HH2 ARG 8 -2.959 9.626 -9.005 70 2HH2 ARG 8 2HH2 ARG 8 -1.269 9.701 -9.376 71 H PHE 9 H PHE 9 -5.379 3.267 -5.361 72 HA PHE 9 HA PHE 9 -3.994 1.532 -3.428 73 1HB PHE 9 2HB PHE 9 -5.517 -0.285 -4.682 74 2HB PHE 9 1HB PHE 9 -6.041 0.549 -3.222 75 HD1 PHE 9 1HD PHE 9 -8.224 1.213 -3.257 76 HD2 PHE 9 2HD PHE 9 -6.010 1.281 -6.890 77 HE1 PHE 9 1HE PHE 9 -10.208 2.051 -4.447 78 HE2 PHE 9 2HE PHE 9 -7.989 2.121 -8.085 79 HZ PHE 9 HZ PHE 9 -10.091 2.507 -6.864 80 H MET 10 H MET 10 -2.150 2.274 -4.783 81 HA MET 10 HA MET 10 -1.669 0.325 -6.880 82 1HB MET 10 2HB MET 10 -2.623 2.313 -8.038 83 2HB MET 10 1HB MET 10 -1.300 3.281 -7.399 84 1HG MET 10 2HG MET 10 0.161 2.518 -8.912 85 2HG MET 10 1HG MET 10 -0.460 0.870 -8.832 86 1HE MET 10 1HE MET 10 0.011 0.585 -11.296 87 2HE MET 10 2HE MET 10 0.463 2.240 -11.702 88 3HE MET 10 3HE MET 10 -0.805 1.424 -12.616 89 H CYS 11 H CYS 11 0.173 -0.594 -6.308 90 HA CYS 11 HA CYS 11 2.122 0.878 -4.731 91 1HB CYS 11 2HB CYS 11 1.264 -1.683 -4.567 92 2HB CYS 11 1HB CYS 11 2.707 -1.903 -5.551 93 H LEU 12 H LEU 12 2.961 2.305 -6.252 94 HA LEU 12 HA LEU 12 3.985 1.503 -8.770 95 1HB LEU 12 2HB LEU 12 5.000 3.924 -7.343 96 2HB LEU 12 1HB LEU 12 4.671 3.698 -9.050 97 HG LEU 12 HG LEU 12 2.182 3.418 -7.798 98 1HD1 LEU 12 1HD1 LEU 12 2.288 5.874 -6.765 99 2HD1 LEU 12 2HD1 LEU 12 3.925 5.342 -6.381 100 3HD1 LEU 12 3HD1 LEU 12 2.539 4.420 -5.799 101 1HD2 LEU 12 1HD2 LEU 12 3.545 5.349 -9.570 102 2HD2 LEU 12 2HD2 LEU 12 2.066 5.903 -8.786 103 3HD2 LEU 12 3HD2 LEU 12 2.039 4.460 -9.800 104 HA PRO 13 HA PRO 13 8.268 1.993 -6.125 105 1HB PRO 13 2HB PRO 13 7.047 0.224 -4.033 106 2HB PRO 13 1HB PRO 13 8.360 1.398 -3.881 107 1HG PRO 13 2HG PRO 13 5.899 2.022 -3.092 108 2HG PRO 13 1HG PRO 13 6.919 3.216 -3.914 109 1HD PRO 13 2HD PRO 13 4.553 1.740 -4.918 110 2HD PRO 13 1HD PRO 13 5.183 3.326 -5.403 111 H CYS 14 H CYS 14 6.049 -0.753 -6.382 112 HA CYS 14 HA CYS 14 8.295 -2.408 -7.281 113 1HB CYS 14 2HB CYS 14 6.991 -4.332 -6.536 114 2HB CYS 14 1HB CYS 14 7.287 -3.231 -5.204 115 H GLY 15 H GLY 15 5.106 -1.186 -7.935 116 1HA GLY 15 2HA GLY 15 4.170 -0.926 -10.045 117 2HA GLY 15 1HA GLY 15 5.347 -2.064 -10.661 118 H ILE 16 H ILE 16 2.613 -2.016 -8.392 119 HA ILE 16 HA ILE 16 1.408 -4.257 -9.798 120 HB ILE 16 HB ILE 16 1.889 -4.463 -6.828 121 1HG1 ILE 16 2HG1 ILE 16 3.355 -5.851 -9.085 122 2HG1 ILE 16 1HG1 ILE 16 4.030 -4.616 -8.027 123 1HG2 ILE 16 1HG2 ILE 16 0.446 -6.052 -8.853 124 2HG2 ILE 16 2HG2 ILE 16 0.127 -5.845 -7.130 125 3HG2 ILE 16 3HG2 ILE 16 1.382 -6.961 -7.666 126 1HD1 ILE 16 1HD1 ILE 16 4.758 -6.282 -6.765 127 2HD1 ILE 16 2HD1 ILE 16 3.763 -7.462 -7.619 128 3HD1 ILE 16 3HD1 ILE 16 3.080 -6.533 -6.283 129 H ALA 17 H ALA 17 -0.645 -3.721 -10.085 130 HA ALA 17 HA ALA 17 -1.910 -1.811 -8.277 131 1HB ALA 17 1HB ALA 17 -1.931 -1.763 -10.894 132 2HB ALA 17 2HB ALA 17 -3.363 -1.287 -9.980 133 3HB ALA 17 3HB ALA 17 -3.271 -2.895 -10.700 134 H PHE 18 H PHE 18 -2.853 -2.674 -6.538 135 HA PHE 18 HA PHE 18 -3.981 -5.331 -6.601 136 1HB PHE 18 2HB PHE 18 -3.306 -3.303 -4.534 137 2HB PHE 18 1HB PHE 18 -4.577 -4.440 -4.148 138 HD1 PHE 18 1HD PHE 18 -4.015 -6.450 -3.174 139 HD2 PHE 18 2HD PHE 18 -1.113 -4.384 -5.504 140 HE1 PHE 18 1HE PHE 18 -2.328 -8.130 -2.554 141 HE2 PHE 18 2HE PHE 18 0.579 -6.062 -4.889 142 HZ PHE 18 HZ PHE 18 -0.027 -7.937 -3.413 143 H SER 19 H SER 19 -6.092 -5.025 -4.803 144 HA SER 19 HA SER 19 -7.960 -3.093 -5.860 145 1HB SER 19 2HB SER 19 -8.083 -5.996 -6.547 146 2HB SER 19 1HB SER 19 -9.599 -5.160 -6.216 147 HG SER 19 HG SER 19 -9.430 -4.561 -8.224 148 H SER 20 H SER 20 -6.738 -3.684 -3.311 149 HA SER 20 HA SER 20 -9.090 -3.639 -1.697 150 1HB SER 20 2HB SER 20 -8.942 -6.043 -1.901 151 2HB SER 20 1HB SER 20 -7.229 -6.012 -1.486 152 HG SER 20 HG SER 20 -8.514 -6.576 0.310 153 HA PRO 21 HA PRO 21 -6.084 -0.750 0.081 154 1HB PRO 21 2HB PRO 21 -8.256 -0.814 2.136 155 2HB PRO 21 1HB PRO 21 -7.391 0.571 1.458 156 1HG PRO 21 2HG PRO 21 -9.852 -0.012 0.639 157 2HG PRO 21 1HG PRO 21 -8.621 0.546 -0.510 158 1HD PRO 21 2HD PRO 21 -9.737 -2.181 -0.105 159 2HD PRO 21 1HD PRO 21 -9.128 -1.416 -1.586 160 H SER 22 H SER 22 -7.890 -2.866 2.330 161 HA SER 22 HA SER 22 -5.911 -3.040 4.279 162 1HB SER 22 2HB SER 22 -8.419 -3.901 4.203 163 2HB SER 22 1HB SER 22 -7.643 -5.422 3.764 164 HG SER 22 HG SER 22 -7.941 -4.447 6.168 165 H THR 23 H THR 23 -6.409 -4.985 1.375 166 HA THR 23 HA THR 23 -4.498 -6.966 1.931 167 HB THR 23 HB THR 23 -5.375 -5.894 -0.758 168 HG1 THR 23 1HG THR 23 -6.346 -8.107 0.724 169 1HG2 THR 23 1HG2 THR 23 -4.689 -7.938 -1.728 170 2HG2 THR 23 2HG2 THR 23 -4.297 -8.630 -0.154 171 3HG2 THR 23 3HG2 THR 23 -3.317 -7.318 -0.810 172 H LEU 24 H LEU 24 -4.235 -3.795 0.446 173 HA LEU 24 HA LEU 24 -1.606 -3.961 -0.476 174 1HB LEU 24 2HB LEU 24 -2.616 -1.419 0.716 175 2HB LEU 24 1HB LEU 24 -1.690 -1.670 -0.744 176 HG LEU 24 HG LEU 24 -4.643 -2.055 -0.351 177 1HD1 LEU 24 1HD1 LEU 24 -3.342 -0.496 -2.534 178 2HD1 LEU 24 2HD1 LEU 24 -3.464 0.200 -0.919 179 3HD1 LEU 24 3HD1 LEU 24 -4.924 -0.281 -1.784 180 1HD2 LEU 24 1HD2 LEU 24 -4.090 -3.928 -1.645 181 2HD2 LEU 24 2HD2 LEU 24 -2.860 -3.047 -2.553 182 3HD2 LEU 24 3HD2 LEU 24 -4.569 -2.704 -2.821 183 H GLU 25 H GLU 25 -2.933 -2.998 2.636 184 HA GLU 25 HA GLU 25 -0.550 -2.239 3.882 185 1HB GLU 25 2HB GLU 25 -3.124 -2.191 4.627 186 2HB GLU 25 1HB GLU 25 -2.611 -3.614 5.524 187 1HG GLU 25 2HG GLU 25 -0.623 -1.836 6.096 188 2HG GLU 25 1HG GLU 25 -2.037 -0.789 5.981 189 H ALA 26 H ALA 26 -1.916 -5.369 3.275 190 HA ALA 26 HA ALA 26 -0.206 -6.779 5.025 191 1HB ALA 26 1HB ALA 26 -1.991 -8.117 4.676 192 2HB ALA 26 2HB ALA 26 -1.025 -8.692 3.316 193 3HB ALA 26 3HB ALA 26 -2.276 -7.476 3.058 194 H HIS 27 H HIS 27 -0.179 -5.823 1.689 195 HA HIS 27 HA HIS 27 2.075 -7.393 0.895 196 1HB HIS 27 2HB HIS 27 0.616 -6.689 -0.836 197 2HB HIS 27 1HB HIS 27 0.621 -5.027 -0.281 198 HD1 HIS 27 1HD HIS 27 2.978 -7.508 -1.958 199 HD2 HIS 27 2HD HIS 27 2.398 -3.421 -1.492 200 HE1 HIS 27 1HE HIS 27 4.655 -6.374 -3.476 201 H GLN 28 H GLN 28 1.556 -4.012 1.732 202 HA GLN 28 HA GLN 28 4.265 -3.226 1.536 203 1HB GLN 28 2HB GLN 28 1.760 -2.012 2.143 204 2HB GLN 28 1HB GLN 28 2.890 -1.579 3.415 205 1HG GLN 28 2HG GLN 28 3.779 -1.335 0.594 206 2HG GLN 28 1HG GLN 28 2.645 -0.144 1.227 207 1HE2 GLN 28 1HE2 GLN 28 5.697 -0.401 0.541 208 2HE2 GLN 28 2HE2 GLN 28 6.435 0.470 1.838 209 H ALA 29 H ALA 29 2.324 -4.550 4.149 210 HA ALA 29 HA ALA 29 4.378 -4.071 6.128 211 1HB ALA 29 1HB ALA 29 1.768 -5.556 6.335 212 2HB ALA 29 2HB ALA 29 2.055 -3.871 6.771 213 3HB ALA 29 3HB ALA 29 2.836 -5.164 7.683 214 H TYR 30 H TYR 30 4.418 -6.232 3.721 215 HA TYR 30 HA TYR 30 6.010 -8.079 5.293 216 1HB TYR 30 2HB TYR 30 3.307 -8.718 4.458 217 2HB TYR 30 1HB TYR 30 4.474 -9.866 3.812 218 HD1 TYR 30 1HD TYR 30 2.594 -8.869 6.682 219 HD2 TYR 30 2HD TYR 30 6.082 -10.978 5.462 220 HE1 TYR 30 1HE TYR 30 2.652 -10.020 8.854 221 HE2 TYR 30 2HE TYR 30 6.149 -12.135 7.630 222 HH TYR 30 HH TYR 30 3.758 -12.468 9.613 223 H TYR 31 H TYR 31 4.774 -7.158 2.117 224 HA TYR 31 HA TYR 31 6.918 -8.648 0.819 225 1HB TYR 31 2HB TYR 31 4.579 -7.103 -0.312 226 2HB TYR 31 1HB TYR 31 5.784 -7.930 -1.292 227 HD1 TYR 31 1HD TYR 31 3.521 -8.675 1.591 228 HD2 TYR 31 2HD TYR 31 5.239 -10.034 -2.056 229 HE1 TYR 31 1HE TYR 31 2.215 -10.752 1.757 230 HE2 TYR 31 2HE TYR 31 3.937 -12.115 -1.901 231 HH TYR 31 HH TYR 31 1.337 -12.510 0.132 232 H CYS 32 H CYS 32 5.625 -5.470 -0.101 233 HA CYS 32 HA CYS 32 8.010 -4.477 -1.095 234 1HB CYS 32 2HB CYS 32 5.384 -3.467 -0.593 235 2HB CYS 32 1HB CYS 32 6.555 -2.273 -0.044 236 H SER 33 H SER 33 9.873 -4.258 -0.066 237 HA SER 33 HA SER 33 11.428 -3.469 1.406 238 1HB SER 33 2HB SER 33 9.555 -1.579 1.646 239 2HB SER 33 1HB SER 33 9.424 -2.279 3.260 240 HG SER 33 HG SER 33 11.691 -1.935 3.481 241 H HIS 34 H HIS 34 12.453 -4.631 2.905 242 HA HIS 34 HA HIS 34 10.884 -6.534 4.475 243 1HB HIS 34 2HB HIS 34 13.803 -6.376 3.740 244 2HB HIS 34 1HB HIS 34 13.211 -7.496 4.961 245 HD1 HIS 34 1HD HIS 34 13.362 -6.944 1.297 246 HD2 HIS 34 2HD HIS 34 11.600 -9.605 3.957 247 HE1 HIS 34 1HE HIS 34 12.581 -8.880 -0.107 248 HE2 HIS 34 2HE HIS 34 11.601 -10.519 1.536 249 H ARG 35 H ARG 35 10.272 -4.427 5.690 250 HA ARG 35 HA ARG 35 12.224 -3.409 7.531 251 1HB ARG 35 2HB ARG 35 9.424 -2.851 6.833 252 2HB ARG 35 1HB ARG 35 9.803 -2.608 8.533 253 1HG ARG 35 2HG ARG 35 11.595 -1.080 7.934 254 2HG ARG 35 1HG ARG 35 11.265 -1.348 6.222 255 1HD ARG 35 2HD ARG 35 9.320 -0.188 8.213 256 2HD ARG 35 1HD ARG 35 10.272 0.745 7.059 257 HE ARG 35 HE ARG 35 8.659 -1.296 5.840 258 1HH1 ARG 35 1HH1 ARG 35 8.708 1.995 7.000 259 2HH1 ARG 35 2HH1 ARG 35 7.403 2.504 5.982 260 1HH2 ARG 35 1HH2 ARG 35 6.944 -0.627 4.499 261 2HH2 ARG 35 2HH2 ARG 35 6.401 1.016 4.563 262 H ILE 36 H ILE 36 12.065 -3.546 9.851 263 HA ILE 36 HA ILE 36 11.036 -6.159 10.725 264 HB ILE 36 HB ILE 36 13.458 -5.880 10.973 265 1HG1 ILE 36 2HG1 ILE 36 12.592 -5.741 13.799 266 2HG1 ILE 36 1HG1 ILE 36 11.750 -6.921 12.800 267 1HG2 ILE 36 1HG2 ILE 36 13.900 -4.192 13.058 268 2HG2 ILE 36 2HG2 ILE 36 12.636 -3.337 12.174 269 3HG2 ILE 36 3HG2 ILE 36 14.137 -3.780 11.361 270 1HD1 ILE 36 1HD1 ILE 36 13.440 -8.251 13.430 271 2HD1 ILE 36 2HD1 ILE 36 14.516 -6.898 13.782 272 3HD1 ILE 36 3HD1 ILE 36 14.301 -7.445 12.118 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -8.436 10.232 -0.189 2 2H GLY 1 2HT GLY 1 -10.046 10.746 -0.118 3 3H GLY 1 3HT GLY 1 -8.894 11.433 0.911 4 1HA GLY 1 1HA GLY 1 -8.287 11.635 -1.913 5 2HA GLY 1 2HA GLY 1 -9.700 12.539 -1.388 6 H SER 2 H SER 2 -7.234 13.620 -2.381 7 HA SER 2 HA SER 2 -5.832 15.359 -1.960 8 1HB SER 2 2HB SER 2 -7.893 15.615 0.145 9 2HB SER 2 1HB SER 2 -6.374 16.452 0.464 10 HG SER 2 HG SER 2 -6.841 17.847 -1.040 11 H LEU 3 H LEU 3 -6.294 14.365 1.415 12 HA LEU 3 HA LEU 3 -3.840 12.896 1.520 13 1HB LEU 3 2HB LEU 3 -2.644 14.381 3.038 14 2HB LEU 3 1HB LEU 3 -2.925 15.152 1.489 15 HG LEU 3 HG LEU 3 -4.952 15.695 3.568 16 1HD1 LEU 3 1HD1 LEU 3 -2.082 16.257 3.956 17 2HD1 LEU 3 2HD1 LEU 3 -3.379 16.079 5.139 18 3HD1 LEU 3 3HD1 LEU 3 -3.188 17.596 4.259 19 1HD2 LEU 3 1HD2 LEU 3 -3.948 16.845 1.133 20 2HD2 LEU 3 2HD2 LEU 3 -3.907 18.036 2.434 21 3HD2 LEU 3 3HD2 LEU 3 -5.420 17.226 2.029 22 H LEU 4 H LEU 4 -3.260 12.487 3.941 23 HA LEU 4 HA LEU 4 -3.867 11.542 5.915 24 1HB LEU 4 2HB LEU 4 -5.227 13.985 5.766 25 2HB LEU 4 1HB LEU 4 -6.429 12.827 6.301 26 HG LEU 4 HG LEU 4 -5.444 13.819 8.239 27 1HD1 LEU 4 1HD1 LEU 4 -5.655 11.165 7.892 28 2HD1 LEU 4 2HD1 LEU 4 -5.153 11.913 9.408 29 3HD1 LEU 4 3HD1 LEU 4 -3.942 11.282 8.291 30 1HD2 LEU 4 1HD2 LEU 4 -2.933 13.407 6.733 31 2HD2 LEU 4 2HD2 LEU 4 -2.851 13.203 8.483 32 3HD2 LEU 4 3HD2 LEU 4 -3.416 14.726 7.798 33 H LYS 5 H LYS 5 -4.791 10.407 3.373 34 HA LYS 5 HA LYS 5 -6.367 8.314 4.363 35 1HB LYS 5 2HB LYS 5 -7.853 10.634 3.503 36 2HB LYS 5 1HB LYS 5 -8.236 9.255 2.482 37 1HG LYS 5 2HG LYS 5 -8.368 8.111 4.924 38 2HG LYS 5 1HG LYS 5 -8.874 9.757 5.304 39 1HD LYS 5 2HD LYS 5 -10.821 9.551 4.185 40 2HD LYS 5 1HD LYS 5 -10.091 8.603 2.888 41 1HE LYS 5 2HE LYS 5 -11.269 6.911 3.785 42 2HE LYS 5 1HE LYS 5 -9.945 6.850 4.947 43 1HZ LYS 5 1HZ LYS 5 -12.477 7.056 5.666 44 2HZ LYS 5 2HZ LYS 5 -12.113 8.702 5.537 45 3HZ LYS 5 3HZ LYS 5 -11.216 7.718 6.580 46 HA PRO 6 HA PRO 6 -4.515 6.439 0.805 47 1HB PRO 6 2HB PRO 6 -6.932 4.703 0.814 48 2HB PRO 6 1HB PRO 6 -5.223 4.254 0.829 49 1HG PRO 6 2HG PRO 6 -6.701 4.052 3.034 50 2HG PRO 6 1HG PRO 6 -5.016 4.598 3.112 51 1HD PRO 6 2HD PRO 6 -7.537 6.187 3.312 52 2HD PRO 6 1HD PRO 6 -5.997 6.397 4.171 53 H ALA 7 H ALA 7 -4.572 7.045 -1.265 54 HA ALA 7 HA ALA 7 -6.985 8.241 -2.344 55 1HB ALA 7 1HB ALA 7 -5.286 9.574 -3.019 56 2HB ALA 7 2HB ALA 7 -5.244 8.442 -4.371 57 3HB ALA 7 3HB ALA 7 -4.111 8.258 -3.031 58 H ARG 8 H ARG 8 -4.641 5.850 -3.584 59 HA ARG 8 HA ARG 8 -6.885 4.329 -4.708 60 1HB ARG 8 2HB ARG 8 -4.349 4.849 -6.258 61 2HB ARG 8 1HB ARG 8 -5.825 4.085 -6.834 62 1HG ARG 8 2HG ARG 8 -6.951 6.087 -7.018 63 2HG ARG 8 1HG ARG 8 -5.905 6.902 -5.853 64 1HD ARG 8 2HD ARG 8 -4.593 5.905 -8.300 65 2HD ARG 8 1HD ARG 8 -5.726 7.236 -8.522 66 HE ARG 8 HE ARG 8 -4.067 7.902 -6.392 67 1HH1 ARG 8 1HH1 ARG 8 -3.791 7.314 -9.820 68 2HH1 ARG 8 2HH1 ARG 8 -2.436 8.374 -10.020 69 1HH2 ARG 8 1HH2 ARG 8 -2.285 9.297 -6.652 70 2HH2 ARG 8 2HH2 ARG 8 -1.581 9.499 -8.221 71 H PHE 9 H PHE 9 -6.132 2.128 -5.482 72 HA PHE 9 HA PHE 9 -4.249 1.054 -3.502 73 1HB PHE 9 2HB PHE 9 -5.329 -1.171 -4.223 74 2HB PHE 9 1HB PHE 9 -6.298 -0.063 -3.259 75 HD1 PHE 9 1HD PHE 9 -8.137 1.184 -4.271 76 HD2 PHE 9 2HD PHE 9 -5.887 -1.660 -6.499 77 HE1 PHE 9 1HE PHE 9 -9.897 1.145 -5.991 78 HE2 PHE 9 2HE PHE 9 -7.641 -1.703 -8.223 79 HZ PHE 9 HZ PHE 9 -9.649 -0.299 -7.970 80 H MET 10 H MET 10 -2.346 1.565 -4.641 81 HA MET 10 HA MET 10 -1.511 -0.449 -6.484 82 1HB MET 10 2HB MET 10 -2.779 1.628 -7.711 83 2HB MET 10 1HB MET 10 -1.115 2.196 -7.727 84 1HG MET 10 2HG MET 10 -0.898 -0.420 -8.555 85 2HG MET 10 1HG MET 10 -2.398 0.123 -9.303 86 1HE MET 10 1HE MET 10 0.190 -0.938 -10.558 87 2HE MET 10 2HE MET 10 0.895 0.188 -11.717 88 3HE MET 10 3HE MET 10 -0.788 -0.309 -11.883 89 H CYS 11 H CYS 11 0.529 -0.866 -5.945 90 HA CYS 11 HA CYS 11 2.041 1.088 -4.431 91 1HB CYS 11 2HB CYS 11 1.913 -1.493 -4.026 92 2HB CYS 11 1HB CYS 11 3.153 -1.566 -5.271 93 H LEU 12 H LEU 12 2.470 2.671 -5.946 94 HA LEU 12 HA LEU 12 3.428 2.430 -8.506 95 1HB LEU 12 2HB LEU 12 4.555 4.562 -6.744 96 2HB LEU 12 1HB LEU 12 4.031 4.663 -8.413 97 HG LEU 12 HG LEU 12 1.673 4.104 -7.175 98 1HD1 LEU 12 1HD1 LEU 12 2.702 6.168 -5.341 99 2HD1 LEU 12 2HD1 LEU 12 3.230 4.515 -5.023 100 3HD1 LEU 12 3HD1 LEU 12 1.509 4.896 -5.073 101 1HD2 LEU 12 1HD2 LEU 12 2.639 6.066 -8.725 102 2HD2 LEU 12 2HD2 LEU 12 2.434 6.956 -7.217 103 3HD2 LEU 12 3HD2 LEU 12 1.056 6.136 -7.951 104 HA PRO 13 HA PRO 13 7.988 2.446 -6.814 105 1HB PRO 13 2HB PRO 13 8.295 1.400 -4.300 106 2HB PRO 13 1HB PRO 13 8.184 3.129 -4.649 107 1HG PRO 13 2HG PRO 13 6.074 1.250 -3.674 108 2HG PRO 13 1HG PRO 13 6.402 2.922 -3.184 109 1HD PRO 13 2HD PRO 13 4.399 2.277 -4.866 110 2HD PRO 13 1HD PRO 13 5.287 3.806 -5.002 111 H CYS 14 H CYS 14 5.594 0.057 -6.621 112 HA CYS 14 HA CYS 14 7.603 -2.068 -6.926 113 1HB CYS 14 2HB CYS 14 4.922 -2.025 -5.603 114 2HB CYS 14 1HB CYS 14 5.512 -3.525 -6.299 115 H GLY 15 H GLY 15 4.757 -0.520 -8.201 116 1HA GLY 15 2HA GLY 15 3.917 -0.553 -10.338 117 2HA GLY 15 1HA GLY 15 5.200 -1.668 -10.765 118 H ILE 16 H ILE 16 3.000 -2.269 -8.129 119 HA ILE 16 HA ILE 16 1.614 -4.296 -9.754 120 HB ILE 16 HB ILE 16 2.368 -4.703 -6.864 121 1HG1 ILE 16 2HG1 ILE 16 3.707 -6.044 -9.206 122 2HG1 ILE 16 1HG1 ILE 16 4.333 -4.551 -8.514 123 1HG2 ILE 16 1HG2 ILE 16 1.384 -6.741 -6.998 124 2HG2 ILE 16 2HG2 ILE 16 1.770 -6.938 -8.708 125 3HG2 ILE 16 3HG2 ILE 16 0.418 -5.913 -8.221 126 1HD1 ILE 16 1HD1 ILE 16 4.985 -7.091 -7.729 127 2HD1 ILE 16 2HD1 ILE 16 3.808 -6.591 -6.513 128 3HD1 ILE 16 3HD1 ILE 16 5.252 -5.618 -6.796 129 H ALA 17 H ALA 17 -0.443 -3.668 -9.897 130 HA ALA 17 HA ALA 17 -1.673 -2.086 -7.802 131 1HB ALA 17 1HB ALA 17 -2.013 -1.685 -10.275 132 2HB ALA 17 2HB ALA 17 -3.479 -1.756 -9.298 133 3HB ALA 17 3HB ALA 17 -3.010 -3.139 -10.285 134 H PHE 18 H PHE 18 -2.782 -2.917 -6.155 135 HA PHE 18 HA PHE 18 -3.396 -5.743 -6.136 136 1HB PHE 18 2HB PHE 18 -3.141 -3.573 -4.138 137 2HB PHE 18 1HB PHE 18 -4.205 -4.907 -3.737 138 HD1 PHE 18 1HD PHE 18 -3.266 -6.624 -2.527 139 HD2 PHE 18 2HD PHE 18 -0.821 -4.407 -5.213 140 HE1 PHE 18 1HE PHE 18 -1.314 -7.962 -1.851 141 HE2 PHE 18 2HE PHE 18 1.134 -5.740 -4.544 142 HZ PHE 18 HZ PHE 18 0.889 -7.521 -2.862 143 H SER 19 H SER 19 -5.533 -6.074 -4.627 144 HA SER 19 HA SER 19 -7.690 -5.280 -6.380 145 1HB SER 19 2HB SER 19 -7.174 -7.582 -5.040 146 2HB SER 19 1HB SER 19 -8.336 -6.826 -3.950 147 HG SER 19 HG SER 19 -9.606 -6.500 -5.982 148 H SER 20 H SER 20 -6.538 -4.406 -3.196 149 HA SER 20 HA SER 20 -8.349 -2.205 -3.096 150 1HB SER 20 2HB SER 20 -9.177 -4.675 -1.893 151 2HB SER 20 1HB SER 20 -8.939 -3.465 -0.632 152 HG SER 20 HG SER 20 -10.657 -3.369 -2.872 153 HA PRO 21 HA PRO 21 -5.466 -0.383 -0.310 154 1HB PRO 21 2HB PRO 21 -6.918 0.454 1.857 155 2HB PRO 21 1HB PRO 21 -6.897 1.287 0.298 156 1HG PRO 21 2HG PRO 21 -8.913 -0.630 1.398 157 2HG PRO 21 1HG PRO 21 -9.173 0.876 0.499 158 1HD PRO 21 2HD PRO 21 -9.375 -1.527 -0.679 159 2HD PRO 21 1HD PRO 21 -8.729 -0.119 -1.543 160 H SER 22 H SER 22 -7.747 -2.309 1.659 161 HA SER 22 HA SER 22 -6.094 -2.817 3.823 162 1HB SER 22 2HB SER 22 -8.213 -4.590 2.585 163 2HB SER 22 1HB SER 22 -7.476 -4.881 4.160 164 HG SER 22 HG SER 22 -9.561 -3.430 3.712 165 H THR 23 H THR 23 -6.268 -4.496 0.716 166 HA THR 23 HA THR 23 -4.562 -6.630 1.380 167 HB THR 23 HB THR 23 -4.400 -7.066 -0.952 168 HG1 THR 23 1HG THR 23 -5.326 -4.449 -1.488 169 1HG2 THR 23 1HG2 THR 23 -6.876 -6.002 -1.621 170 2HG2 THR 23 2HG2 THR 23 -6.952 -6.287 0.118 171 3HG2 THR 23 3HG2 THR 23 -6.542 -7.609 -0.975 172 H LEU 24 H LEU 24 -3.937 -3.361 0.263 173 HA LEU 24 HA LEU 24 -1.207 -3.611 -0.302 174 1HB LEU 24 2HB LEU 24 -2.291 -1.132 0.969 175 2HB LEU 24 1HB LEU 24 -1.129 -1.295 -0.325 176 HG LEU 24 HG LEU 24 -4.102 -1.691 -0.545 177 1HD1 LEU 24 1HD1 LEU 24 -2.477 0.325 -2.034 178 2HD1 LEU 24 2HD1 LEU 24 -3.020 0.660 -0.389 179 3HD1 LEU 24 3HD1 LEU 24 -4.200 0.332 -1.656 180 1HD2 LEU 24 1HD2 LEU 24 -3.450 -3.143 -2.154 181 2HD2 LEU 24 2HD2 LEU 24 -1.857 -2.406 -2.327 182 3HD2 LEU 24 3HD2 LEU 24 -3.263 -1.652 -3.078 183 H GLU 25 H GLU 25 -2.954 -2.842 2.650 184 HA GLU 25 HA GLU 25 -0.840 -2.294 4.346 185 1HB GLU 25 2HB GLU 25 -3.495 -2.400 4.673 186 2HB GLU 25 1HB GLU 25 -3.078 -3.924 5.437 187 1HG GLU 25 2HG GLU 25 -1.304 -2.365 6.662 188 2HG GLU 25 1HG GLU 25 -2.524 -1.147 6.292 189 H ALA 26 H ALA 26 -2.031 -5.362 3.209 190 HA ALA 26 HA ALA 26 -0.455 -6.931 4.955 191 1HB ALA 26 1HB ALA 26 -2.628 -7.586 3.694 192 2HB ALA 26 2HB ALA 26 -1.364 -8.794 3.924 193 3HB ALA 26 3HB ALA 26 -1.527 -7.973 2.372 194 H HIS 27 H HIS 27 -0.133 -5.569 1.781 195 HA HIS 27 HA HIS 27 2.235 -7.002 1.047 196 1HB HIS 27 2HB HIS 27 0.872 -6.146 -0.723 197 2HB HIS 27 1HB HIS 27 0.854 -4.536 -0.024 198 HD1 HIS 27 1HD HIS 27 3.110 -6.868 -1.963 199 HD2 HIS 27 2HD HIS 27 2.921 -2.903 -0.741 200 HE1 HIS 27 1HE HIS 27 4.945 -5.652 -3.210 201 H GLN 28 H GLN 28 1.557 -3.681 2.057 202 HA GLN 28 HA GLN 28 4.222 -2.832 2.295 203 1HB GLN 28 2HB GLN 28 1.617 -1.784 2.808 204 2HB GLN 28 1HB GLN 28 2.606 -1.494 4.232 205 1HG GLN 28 2HG GLN 28 3.669 -0.823 1.530 206 2HG GLN 28 1HG GLN 28 2.513 0.251 2.312 207 1HE2 GLN 28 1HE2 GLN 28 5.525 0.263 1.665 208 2HE2 GLN 28 2HE2 GLN 28 6.239 0.836 3.130 209 H ALA 29 H ALA 29 2.287 -4.898 4.240 210 HA ALA 29 HA ALA 29 3.471 -4.494 6.757 211 1HB ALA 29 1HB ALA 29 1.696 -6.457 5.519 212 2HB ALA 29 2HB ALA 29 1.653 -5.741 7.130 213 3HB ALA 29 3HB ALA 29 2.710 -7.115 6.805 214 H TYR 30 H TYR 30 4.063 -7.186 4.455 215 HA TYR 30 HA TYR 30 6.863 -7.167 5.300 216 1HB TYR 30 2HB TYR 30 4.918 -9.407 5.649 217 2HB TYR 30 1HB TYR 30 6.607 -9.774 5.329 218 HD1 TYR 30 1HD TYR 30 4.226 -8.425 7.741 219 HD2 TYR 30 2HD TYR 30 8.333 -9.223 6.973 220 HE1 TYR 30 1HE TYR 30 4.725 -8.111 10.127 221 HE2 TYR 30 2HE TYR 30 8.845 -8.913 9.357 222 HH TYR 30 HH TYR 30 6.516 -8.869 11.748 223 H TYR 31 H TYR 31 4.905 -6.944 2.749 224 HA TYR 31 HA TYR 31 6.442 -8.761 1.041 225 1HB TYR 31 2HB TYR 31 3.738 -8.005 1.076 226 2HB TYR 31 1HB TYR 31 4.417 -7.275 -0.374 227 HD1 TYR 31 1HD TYR 31 4.064 -10.503 1.429 228 HD2 TYR 31 2HD TYR 31 4.808 -8.577 -2.291 229 HE1 TYR 31 1HE TYR 31 3.905 -12.672 0.282 230 HE2 TYR 31 2HE TYR 31 4.650 -10.740 -3.449 231 HH TYR 31 HH TYR 31 3.290 -13.398 -2.206 232 H CYS 32 H CYS 32 5.654 -5.341 1.450 233 HA CYS 32 HA CYS 32 7.175 -4.494 -0.826 234 1HB CYS 32 2HB CYS 32 5.217 -3.294 0.481 235 2HB CYS 32 1HB CYS 32 6.546 -2.639 1.432 236 H SER 33 H SER 33 9.088 -5.827 -0.130 237 HA SER 33 HA SER 33 11.306 -5.792 0.408 238 1HB SER 33 2HB SER 33 10.851 -3.169 0.106 239 2HB SER 33 1HB SER 33 11.181 -3.184 1.838 240 HG SER 33 HG SER 33 13.035 -2.917 0.353 241 H HIS 34 H HIS 34 12.724 -5.951 2.321 242 HA HIS 34 HA HIS 34 11.297 -7.128 4.507 243 1HB HIS 34 2HB HIS 34 14.246 -6.600 4.100 244 2HB HIS 34 1HB HIS 34 13.577 -7.503 5.455 245 HD1 HIS 34 1HD HIS 34 13.733 -7.695 1.668 246 HD2 HIS 34 2HD HIS 34 13.253 -10.162 4.977 247 HE1 HIS 34 1HE HIS 34 13.746 -10.041 0.764 248 HE2 HIS 34 2HE HIS 34 13.540 -11.520 2.795 249 H ARG 35 H ARG 35 10.102 -5.170 5.111 250 HA ARG 35 HA ARG 35 11.562 -3.006 6.336 251 1HB ARG 35 2HB ARG 35 8.805 -3.550 5.554 252 2HB ARG 35 1HB ARG 35 8.913 -2.745 7.114 253 1HG ARG 35 2HG ARG 35 10.445 -1.071 5.965 254 2HG ARG 35 1HG ARG 35 9.893 -1.783 4.447 255 1HD ARG 35 2HD ARG 35 8.556 0.160 4.960 256 2HD ARG 35 1HD ARG 35 7.566 -1.292 5.099 257 HE ARG 35 HE ARG 35 8.448 -0.876 7.630 258 1HH1 ARG 35 1HH1 ARG 35 6.804 1.126 5.291 259 2HH1 ARG 35 2HH1 ARG 35 5.976 2.062 6.489 260 1HH2 ARG 35 1HH2 ARG 35 7.360 0.355 9.207 261 2HH2 ARG 35 2HH2 ARG 35 6.293 1.626 8.713 262 H ILE 36 H ILE 36 11.050 -2.316 8.586 263 HA ILE 36 HA ILE 36 10.336 -4.466 10.416 264 HB ILE 36 HB ILE 36 12.761 -4.728 10.126 265 1HG1 ILE 36 2HG1 ILE 36 12.145 -3.534 12.834 266 2HG1 ILE 36 1HG1 ILE 36 11.616 -5.137 12.333 267 1HG2 ILE 36 1HG2 ILE 36 14.263 -2.936 10.998 268 2HG2 ILE 36 2HG2 ILE 36 12.865 -1.863 11.045 269 3HG2 ILE 36 3HG2 ILE 36 13.421 -2.519 9.506 270 1HD1 ILE 36 1HD1 ILE 36 13.529 -5.936 13.092 271 2HD1 ILE 36 2HD1 ILE 36 14.132 -4.308 13.409 272 3HD1 ILE 36 3HD1 ILE 36 14.365 -5.043 11.822 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -10.049 12.612 1.959 2 2H GLY 1 2HT GLY 1 -9.431 14.186 1.930 3 3H GLY 1 3HT GLY 1 -8.446 12.901 2.417 4 1HA GLY 1 1HA GLY 1 -8.450 11.961 0.228 5 2HA GLY 1 2HA GLY 1 -9.603 13.176 -0.301 6 H SER 2 H SER 2 -6.690 13.528 1.697 7 HA SER 2 HA SER 2 -5.146 14.684 -0.410 8 1HB SER 2 2HB SER 2 -6.640 16.578 0.000 9 2HB SER 2 1HB SER 2 -6.243 16.539 1.718 10 HG SER 2 HG SER 2 -4.946 17.769 -0.261 11 H LEU 3 H LEU 3 -5.465 15.127 3.119 12 HA LEU 3 HA LEU 3 -2.836 13.864 3.444 13 1HB LEU 3 2HB LEU 3 -2.384 15.620 5.241 14 2HB LEU 3 1HB LEU 3 -2.219 16.114 3.567 15 HG LEU 3 HG LEU 3 -4.870 16.584 4.791 16 1HD1 LEU 3 1HD1 LEU 3 -2.357 17.803 5.815 17 2HD1 LEU 3 2HD1 LEU 3 -3.838 17.377 6.672 18 3HD1 LEU 3 3HD1 LEU 3 -3.790 18.818 5.656 19 1HD2 LEU 3 1HD2 LEU 3 -3.089 17.765 2.750 20 2HD2 LEU 3 2HD2 LEU 3 -4.142 18.878 3.623 21 3HD2 LEU 3 3HD2 LEU 3 -4.836 17.522 2.732 22 H LEU 4 H LEU 4 -2.510 12.806 5.411 23 HA LEU 4 HA LEU 4 -3.096 11.573 7.229 24 1HB LEU 4 2HB LEU 4 -4.223 14.179 7.624 25 2HB LEU 4 1HB LEU 4 -5.311 12.978 8.292 26 HG LEU 4 HG LEU 4 -3.748 13.826 9.976 27 1HD1 LEU 4 1HD1 LEU 4 -3.833 10.985 9.168 28 2HD1 LEU 4 2HD1 LEU 4 -4.339 11.755 10.671 29 3HD1 LEU 4 3HD1 LEU 4 -2.630 11.432 10.377 30 1HD2 LEU 4 1HD2 LEU 4 -1.776 13.096 7.897 31 2HD2 LEU 4 2HD2 LEU 4 -1.326 12.770 9.571 32 3HD2 LEU 4 3HD2 LEU 4 -1.753 14.408 9.075 33 H LYS 5 H LYS 5 -4.395 11.100 4.660 34 HA LYS 5 HA LYS 5 -6.333 9.209 5.510 35 1HB LYS 5 2HB LYS 5 -7.329 11.806 5.078 36 2HB LYS 5 1HB LYS 5 -7.808 10.868 3.670 37 1HG LYS 5 2HG LYS 5 -8.319 10.026 6.513 38 2HG LYS 5 1HG LYS 5 -9.480 10.890 5.503 39 1HD LYS 5 2HD LYS 5 -9.912 9.070 4.206 40 2HD LYS 5 1HD LYS 5 -8.276 8.429 4.372 41 1HE LYS 5 2HE LYS 5 -9.364 6.908 5.660 42 2HE LYS 5 1HE LYS 5 -9.076 8.136 6.893 43 1HZ LYS 5 1HZ LYS 5 -11.566 7.322 5.628 44 2HZ LYS 5 2HZ LYS 5 -11.391 8.979 5.918 45 3HZ LYS 5 3HZ LYS 5 -11.280 7.882 7.200 46 HA PRO 6 HA PRO 6 -4.334 8.001 1.601 47 1HB PRO 6 2HB PRO 6 -4.779 5.336 1.918 48 2HB PRO 6 1HB PRO 6 -3.430 6.187 2.677 49 1HG PRO 6 2HG PRO 6 -6.068 5.396 3.848 50 2HG PRO 6 1HG PRO 6 -4.449 5.283 4.561 51 1HD PRO 6 2HD PRO 6 -6.169 7.267 5.191 52 2HD PRO 6 1HD PRO 6 -4.412 7.517 5.143 53 H ALA 7 H ALA 7 -5.149 7.381 -0.383 54 HA ALA 7 HA ALA 7 -7.843 6.331 -0.596 55 1HB ALA 7 1HB ALA 7 -8.202 8.342 -2.329 56 2HB ALA 7 2HB ALA 7 -7.178 9.156 -1.146 57 3HB ALA 7 3HB ALA 7 -8.699 8.424 -0.639 58 H ARG 8 H ARG 8 -5.157 5.463 -1.323 59 HA ARG 8 HA ARG 8 -5.586 5.145 -4.217 60 1HB ARG 8 2HB ARG 8 -3.624 6.692 -3.436 61 2HB ARG 8 1HB ARG 8 -2.817 5.174 -3.070 62 1HG ARG 8 2HG ARG 8 -2.287 4.873 -5.199 63 2HG ARG 8 1HG ARG 8 -3.969 5.069 -5.697 64 1HD ARG 8 2HD ARG 8 -2.798 6.763 -6.824 65 2HD ARG 8 1HD ARG 8 -3.578 7.573 -5.466 66 HE ARG 8 HE ARG 8 -1.139 6.958 -4.485 67 1HH1 ARG 8 1HH1 ARG 8 -2.189 8.579 -7.392 68 2HH1 ARG 8 2HH1 ARG 8 -0.781 9.581 -7.491 69 1HH2 ARG 8 1HH2 ARG 8 0.714 8.274 -4.614 70 2HH2 ARG 8 2HH2 ARG 8 0.868 9.408 -5.915 71 H PHE 9 H PHE 9 -4.400 3.208 -5.096 72 HA PHE 9 HA PHE 9 -3.808 1.109 -3.193 73 1HB PHE 9 2HB PHE 9 -5.497 -0.402 -4.536 74 2HB PHE 9 1HB PHE 9 -6.049 0.568 -3.175 75 HD1 PHE 9 1HD PHE 9 -8.245 1.104 -3.647 76 HD2 PHE 9 2HD PHE 9 -5.295 1.580 -6.676 77 HE1 PHE 9 1HE PHE 9 -9.911 2.191 -5.093 78 HE2 PHE 9 2HE PHE 9 -6.954 2.669 -8.128 79 HZ PHE 9 HZ PHE 9 -9.267 2.975 -7.338 80 H MET 10 H MET 10 -1.889 1.965 -4.632 81 HA MET 10 HA MET 10 -1.300 -0.159 -6.469 82 1HB MET 10 2HB MET 10 -1.688 2.657 -7.470 83 2HB MET 10 1HB MET 10 -0.683 1.494 -8.323 84 1HG MET 10 2HG MET 10 -2.712 -0.024 -8.344 85 2HG MET 10 1HG MET 10 -3.637 1.383 -7.825 86 1HE MET 10 1HE MET 10 -5.161 1.255 -9.461 87 2HE MET 10 2HE MET 10 -4.982 1.503 -11.198 88 3HE MET 10 3HE MET 10 -4.894 2.878 -10.099 89 H CYS 11 H CYS 11 0.706 -0.709 -5.941 90 HA CYS 11 HA CYS 11 2.476 1.229 -4.705 91 1HB CYS 11 2HB CYS 11 2.122 -1.298 -4.065 92 2HB CYS 11 1HB CYS 11 3.313 -1.577 -5.331 93 H LEU 12 H LEU 12 2.895 2.600 -6.484 94 HA LEU 12 HA LEU 12 3.758 1.878 -9.006 95 1HB LEU 12 2HB LEU 12 5.006 4.237 -7.661 96 2HB LEU 12 1HB LEU 12 4.446 4.069 -9.313 97 HG LEU 12 HG LEU 12 2.104 3.825 -7.925 98 1HD1 LEU 12 1HD1 LEU 12 2.465 6.073 -6.484 99 2HD1 LEU 12 2HD1 LEU 12 4.031 5.296 -6.254 100 3HD1 LEU 12 3HD1 LEU 12 2.551 4.446 -5.807 101 1HD2 LEU 12 1HD2 LEU 12 3.061 5.396 -9.872 102 2HD2 LEU 12 2HD2 LEU 12 2.950 6.581 -8.570 103 3HD2 LEU 12 3HD2 LEU 12 1.517 5.684 -9.071 104 HA PRO 13 HA PRO 13 8.342 2.017 -7.201 105 1HB PRO 13 2HB PRO 13 7.741 0.915 -4.513 106 2HB PRO 13 1HB PRO 13 8.899 2.163 -4.986 107 1HG PRO 13 2HG PRO 13 6.639 2.802 -3.723 108 2HG PRO 13 1HG PRO 13 7.290 3.831 -5.013 109 1HD PRO 13 2HD PRO 13 5.022 1.883 -5.104 110 2HD PRO 13 1HD PRO 13 5.168 3.480 -5.866 111 H CYS 14 H CYS 14 5.816 -0.287 -6.864 112 HA CYS 14 HA CYS 14 7.725 -2.495 -7.172 113 1HB CYS 14 2HB CYS 14 5.038 -2.324 -5.843 114 2HB CYS 14 1HB CYS 14 5.652 -3.864 -6.420 115 H GLY 15 H GLY 15 4.894 -0.878 -8.398 116 1HA GLY 15 2HA GLY 15 4.260 -0.866 -10.646 117 2HA GLY 15 1HA GLY 15 5.171 -2.343 -10.863 118 H ILE 16 H ILE 16 3.753 -3.354 -8.324 119 HA ILE 16 HA ILE 16 1.600 -4.644 -9.730 120 HB ILE 16 HB ILE 16 2.235 -4.818 -6.784 121 1HG1 ILE 16 2HG1 ILE 16 3.120 -7.031 -8.482 122 2HG1 ILE 16 1HG1 ILE 16 3.942 -5.517 -8.848 123 1HG2 ILE 16 1HG2 ILE 16 0.041 -5.720 -8.048 124 2HG2 ILE 16 2HG2 ILE 16 0.757 -6.518 -6.648 125 3HG2 ILE 16 3HG2 ILE 16 1.113 -7.101 -8.274 126 1HD1 ILE 16 1HD1 ILE 16 5.322 -6.386 -7.256 127 2HD1 ILE 16 2HD1 ILE 16 4.004 -7.162 -6.377 128 3HD1 ILE 16 3HD1 ILE 16 4.244 -5.419 -6.249 129 H ALA 17 H ALA 17 -0.468 -4.045 -9.785 130 HA ALA 17 HA ALA 17 -1.348 -1.924 -7.941 131 1HB ALA 17 1HB ALA 17 -1.873 -2.467 -10.797 132 2HB ALA 17 2HB ALA 17 -1.727 -0.933 -9.938 133 3HB ALA 17 3HB ALA 17 -3.228 -1.855 -9.849 134 H PHE 18 H PHE 18 -2.621 -2.593 -6.347 135 HA PHE 18 HA PHE 18 -4.008 -5.111 -6.494 136 1HB PHE 18 2HB PHE 18 -3.547 -3.030 -4.378 137 2HB PHE 18 1HB PHE 18 -4.675 -4.341 -4.128 138 HD1 PHE 18 1HD PHE 18 -3.628 -6.736 -4.830 139 HD2 PHE 18 2HD PHE 18 -1.449 -3.323 -3.524 140 HE1 PHE 18 1HE PHE 18 -1.772 -8.193 -4.130 141 HE2 PHE 18 2HE PHE 18 0.411 -4.773 -2.822 142 HZ PHE 18 HZ PHE 18 0.252 -7.211 -3.124 143 H SER 19 H SER 19 -6.269 -4.694 -5.019 144 HA SER 19 HA SER 19 -7.816 -2.534 -6.156 145 1HB SER 19 2HB SER 19 -7.783 -4.466 -7.854 146 2HB SER 19 1HB SER 19 -8.788 -5.335 -6.695 147 HG SER 19 HG SER 19 -9.749 -3.870 -8.467 148 H SER 20 H SER 20 -7.060 -3.314 -3.500 149 HA SER 20 HA SER 20 -9.618 -3.170 -2.259 150 1HB SER 20 2HB SER 20 -9.691 -5.546 -2.567 151 2HB SER 20 1HB SER 20 -8.033 -5.728 -1.994 152 HG SER 20 HG SER 20 -10.374 -5.471 -0.573 153 HA PRO 21 HA PRO 21 -6.892 -1.230 0.670 154 1HB PRO 21 2HB PRO 21 -8.690 -0.473 2.501 155 2HB PRO 21 1HB PRO 21 -8.663 0.249 0.887 156 1HG PRO 21 2HG PRO 21 -10.463 -1.874 1.983 157 2HG PRO 21 1HG PRO 21 -10.863 -0.493 0.947 158 1HD PRO 21 2HD PRO 21 -10.482 -3.068 0.037 159 2HD PRO 21 1HD PRO 21 -10.290 -1.613 -0.960 160 H SER 22 H SER 22 -6.659 -3.962 0.847 161 HA SER 22 HA SER 22 -6.373 -4.324 3.728 162 1HB SER 22 2HB SER 22 -8.568 -5.393 2.902 163 2HB SER 22 1HB SER 22 -7.542 -6.554 2.061 164 HG SER 22 HG SER 22 -8.186 -7.240 4.178 165 H THR 23 H THR 23 -5.876 -5.767 0.515 166 HA THR 23 HA THR 23 -3.646 -7.331 1.245 167 HB THR 23 HB THR 23 -4.245 -6.155 -1.479 168 HG1 THR 23 1HG THR 23 -5.221 -8.489 -0.212 169 1HG2 THR 23 1HG2 THR 23 -3.202 -8.260 -2.294 170 2HG2 THR 23 2HG2 THR 23 -2.670 -8.572 -0.642 171 3HG2 THR 23 3HG2 THR 23 -2.085 -7.149 -1.501 172 H LEU 24 H LEU 24 -4.058 -3.990 0.388 173 HA LEU 24 HA LEU 24 -1.390 -3.332 -0.188 174 1HB LEU 24 2HB LEU 24 -3.197 -1.407 1.214 175 2HB LEU 24 1HB LEU 24 -2.066 -1.116 -0.088 176 HG LEU 24 HG LEU 24 -4.805 -2.336 -0.281 177 1HD1 LEU 24 1HD1 LEU 24 -4.646 -0.355 -2.122 178 2HD1 LEU 24 2HD1 LEU 24 -3.613 0.283 -0.845 179 3HD1 LEU 24 3HD1 LEU 24 -5.283 -0.157 -0.490 180 1HD2 LEU 24 1HD2 LEU 24 -2.846 -1.992 -2.541 181 2HD2 LEU 24 2HD2 LEU 24 -4.433 -2.758 -2.592 182 3HD2 LEU 24 3HD2 LEU 24 -3.113 -3.524 -1.708 183 H GLU 25 H GLU 25 -3.274 -3.337 2.777 184 HA GLU 25 HA GLU 25 -1.219 -2.386 4.468 185 1HB GLU 25 2HB GLU 25 -3.852 -2.770 4.808 186 2HB GLU 25 1HB GLU 25 -3.273 -4.249 5.559 187 1HG GLU 25 2HG GLU 25 -1.894 -2.935 7.085 188 2HG GLU 25 1HG GLU 25 -2.453 -1.450 6.315 189 H ALA 26 H ALA 26 -2.030 -5.493 3.181 190 HA ALA 26 HA ALA 26 -0.375 -6.989 4.919 191 1HB ALA 26 1HB ALA 26 -2.276 -8.062 3.872 192 2HB ALA 26 2HB ALA 26 -0.786 -8.851 3.354 193 3HB ALA 26 3HB ALA 26 -1.610 -7.726 2.275 194 H HIS 27 H HIS 27 -0.100 -5.462 1.808 195 HA HIS 27 HA HIS 27 2.453 -6.566 1.138 196 1HB HIS 27 2HB HIS 27 0.885 -5.763 -0.586 197 2HB HIS 27 1HB HIS 27 1.005 -4.133 0.061 198 HD1 HIS 27 1HD HIS 27 3.085 -6.703 -1.791 199 HD2 HIS 27 2HD HIS 27 3.099 -2.657 -0.845 200 HE1 HIS 27 1HE HIS 27 4.953 -5.664 -3.143 201 H GLN 28 H GLN 28 1.293 -3.465 2.359 202 HA GLN 28 HA GLN 28 3.883 -2.324 2.682 203 1HB GLN 28 2HB GLN 28 1.145 -1.525 3.054 204 2HB GLN 28 1HB GLN 28 2.073 -1.097 4.484 205 1HG GLN 28 2HG GLN 28 3.200 -0.427 1.820 206 2HG GLN 28 1HG GLN 28 1.852 0.532 2.430 207 1HE2 GLN 28 1HE2 GLN 28 4.749 -0.919 3.888 208 2HE2 GLN 28 2HE2 GLN 28 5.305 0.534 4.639 209 H ALA 29 H ALA 29 2.149 -4.682 4.380 210 HA ALA 29 HA ALA 29 3.100 -4.146 7.011 211 1HB ALA 29 1HB ALA 29 1.579 -6.305 5.684 212 2HB ALA 29 2HB ALA 29 1.235 -5.419 7.170 213 3HB ALA 29 3HB ALA 29 2.426 -6.720 7.174 214 H TYR 30 H TYR 30 3.931 -6.791 4.721 215 HA TYR 30 HA TYR 30 6.694 -6.626 5.592 216 1HB TYR 30 2HB TYR 30 4.860 -8.908 6.210 217 2HB TYR 30 1HB TYR 30 6.570 -9.200 5.950 218 HD1 TYR 30 1HD TYR 30 4.067 -7.780 8.178 219 HD2 TYR 30 2HD TYR 30 8.238 -8.317 7.531 220 HE1 TYR 30 1HE TYR 30 4.502 -7.167 10.518 221 HE2 TYR 30 2HE TYR 30 8.684 -7.707 9.871 222 HH TYR 30 HH TYR 30 6.444 -7.692 12.230 223 H TYR 31 H TYR 31 4.969 -6.474 3.040 224 HA TYR 31 HA TYR 31 6.365 -8.574 1.523 225 1HB TYR 31 2HB TYR 31 3.699 -7.877 1.496 226 2HB TYR 31 1HB TYR 31 4.328 -7.065 0.065 227 HD1 TYR 31 1HD TYR 31 4.394 -10.390 1.759 228 HD2 TYR 31 2HD TYR 31 4.468 -8.258 -1.921 229 HE1 TYR 31 1HE TYR 31 4.299 -12.518 0.532 230 HE2 TYR 31 2HE TYR 31 4.373 -10.381 -3.160 231 HH TYR 31 HH TYR 31 3.693 -13.378 -1.622 232 H CYS 32 H CYS 32 5.662 -5.103 1.553 233 HA CYS 32 HA CYS 32 7.257 -4.561 -0.765 234 1HB CYS 32 2HB CYS 32 5.305 -3.162 0.267 235 2HB CYS 32 1HB CYS 32 6.571 -2.473 1.277 236 H SER 33 H SER 33 9.300 -5.403 -0.401 237 HA SER 33 HA SER 33 11.511 -5.209 0.134 238 1HB SER 33 2HB SER 33 10.838 -2.677 0.303 239 2HB SER 33 1HB SER 33 10.982 -2.953 2.038 240 HG SER 33 HG SER 33 12.921 -2.492 0.310 241 H HIS 34 H HIS 34 12.965 -5.171 2.219 242 HA HIS 34 HA HIS 34 11.626 -6.931 4.149 243 1HB HIS 34 2HB HIS 34 14.384 -6.735 3.078 244 2HB HIS 34 1HB HIS 34 14.234 -7.200 4.769 245 HD1 HIS 34 1HD HIS 34 13.656 -8.430 1.310 246 HD2 HIS 34 2HD HIS 34 13.008 -9.711 5.208 247 HE1 HIS 34 1HE HIS 34 13.100 -10.876 1.130 248 HE2 HIS 34 2HE HIS 34 12.808 -11.650 3.509 249 H ARG 35 H ARG 35 10.663 -5.214 5.345 250 HA ARG 35 HA ARG 35 12.529 -3.492 6.817 251 1HB ARG 35 2HB ARG 35 10.264 -2.784 5.546 252 2HB ARG 35 1HB ARG 35 9.603 -3.140 7.135 253 1HG ARG 35 2HG ARG 35 11.287 -1.579 8.107 254 2HG ARG 35 1HG ARG 35 11.744 -1.138 6.460 255 1HD ARG 35 2HD ARG 35 10.205 0.491 6.836 256 2HD ARG 35 1HD ARG 35 9.118 -0.769 6.254 257 HE ARG 35 HE ARG 35 9.178 -1.186 8.926 258 1HH1 ARG 35 1HH1 ARG 35 8.557 1.629 6.960 259 2HH1 ARG 35 2HH1 ARG 35 7.480 2.349 8.109 260 1HH2 ARG 35 1HH2 ARG 35 7.761 -0.240 10.440 261 2HH2 ARG 35 2HH2 ARG 35 7.029 1.289 10.085 262 H ILE 36 H ILE 36 12.861 -3.719 8.947 263 HA ILE 36 HA ILE 36 11.383 -5.855 10.322 264 HB ILE 36 HB ILE 36 13.816 -6.161 10.193 265 1HG1 ILE 36 2HG1 ILE 36 12.956 -5.526 13.023 266 2HG1 ILE 36 1HG1 ILE 36 12.480 -6.980 12.153 267 1HG2 ILE 36 1HG2 ILE 36 15.329 -4.677 11.399 268 2HG2 ILE 36 2HG2 ILE 36 13.977 -3.624 11.814 269 3HG2 ILE 36 3HG2 ILE 36 14.466 -3.808 10.129 270 1HD1 ILE 36 1HD1 ILE 36 14.265 -7.858 13.182 271 2HD1 ILE 36 2HD1 ILE 36 15.028 -6.287 13.429 272 3HD1 ILE 36 3HD1 ILE 36 15.157 -7.093 11.867 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -10.974 9.507 -0.702 2 2H GLY 1 2HT GLY 1 -11.727 10.869 -0.038 3 3H GLY 1 3HT GLY 1 -10.289 10.286 0.635 4 1HA GLY 1 1HA GLY 1 -9.477 10.689 -1.861 5 2HA GLY 1 2HA GLY 1 -10.708 11.935 -1.721 6 H SER 2 H SER 2 -8.205 12.774 -2.142 7 HA SER 2 HA SER 2 -6.600 14.187 -1.369 8 1HB SER 2 2HB SER 2 -8.850 14.549 0.523 9 2HB SER 2 1HB SER 2 -7.279 15.133 1.072 10 HG SER 2 HG SER 2 -8.181 16.799 -0.038 11 H LEU 3 H LEU 3 -5.347 14.675 0.912 12 HA LEU 3 HA LEU 3 -3.883 12.316 1.411 13 1HB LEU 3 2HB LEU 3 -2.685 13.623 3.078 14 2HB LEU 3 1HB LEU 3 -2.897 14.540 1.599 15 HG LEU 3 HG LEU 3 -4.949 14.951 3.693 16 1HD1 LEU 3 1HD1 LEU 3 -2.065 15.673 4.030 17 2HD1 LEU 3 2HD1 LEU 3 -3.200 15.020 5.212 18 3HD1 LEU 3 3HD1 LEU 3 -3.334 16.701 4.695 19 1HD2 LEU 3 1HD2 LEU 3 -3.638 16.446 1.501 20 2HD2 LEU 3 2HD2 LEU 3 -4.196 17.380 2.889 21 3HD2 LEU 3 3HD2 LEU 3 -5.335 16.386 1.980 22 H LEU 4 H LEU 4 -3.395 12.059 4.033 23 HA LEU 4 HA LEU 4 -4.131 11.196 6.006 24 1HB LEU 4 2HB LEU 4 -6.040 13.163 5.372 25 2HB LEU 4 1HB LEU 4 -6.955 11.747 5.852 26 HG LEU 4 HG LEU 4 -6.626 13.106 7.789 27 1HD1 LEU 4 1HD1 LEU 4 -6.017 11.453 9.202 28 2HD1 LEU 4 2HD1 LEU 4 -4.523 11.108 8.332 29 3HD1 LEU 4 3HD1 LEU 4 -6.060 10.491 7.725 30 1HD2 LEU 4 1HD2 LEU 4 -4.385 14.021 6.622 31 2HD2 LEU 4 2HD2 LEU 4 -3.683 12.906 7.794 32 3HD2 LEU 4 3HD2 LEU 4 -4.736 14.212 8.339 33 H LYS 5 H LYS 5 -6.911 10.840 3.791 34 HA LYS 5 HA LYS 5 -7.011 7.996 4.465 35 1HB LYS 5 2HB LYS 5 -8.963 10.016 3.640 36 2HB LYS 5 1HB LYS 5 -9.149 8.485 2.795 37 1HG LYS 5 2HG LYS 5 -9.070 7.409 5.116 38 2HG LYS 5 1HG LYS 5 -9.343 9.041 5.732 39 1HD LYS 5 2HD LYS 5 -11.363 9.177 4.276 40 2HD LYS 5 1HD LYS 5 -11.118 7.480 3.859 41 1HE LYS 5 2HE LYS 5 -11.111 7.129 6.437 42 2HE LYS 5 1HE LYS 5 -11.920 8.696 6.470 43 1HZ LYS 5 1HZ LYS 5 -13.381 7.502 4.640 44 2HZ LYS 5 2HZ LYS 5 -13.721 7.360 6.291 45 3HZ LYS 5 3HZ LYS 5 -12.889 6.124 5.490 46 HA PRO 6 HA PRO 6 -4.700 7.333 0.621 47 1HB PRO 6 2HB PRO 6 -5.349 4.523 1.343 48 2HB PRO 6 1HB PRO 6 -3.792 5.248 0.924 49 1HG PRO 6 2HG PRO 6 -4.361 4.610 3.447 50 2HG PRO 6 1HG PRO 6 -3.458 6.086 3.060 51 1HD PRO 6 2HD PRO 6 -6.326 5.766 3.841 52 2HD PRO 6 1HD PRO 6 -5.171 7.039 4.283 53 H ALA 7 H ALA 7 -6.324 8.150 -0.762 54 HA ALA 7 HA ALA 7 -8.708 6.695 -1.344 55 1HB ALA 7 1HB ALA 7 -9.262 8.426 -2.743 56 2HB ALA 7 2HB ALA 7 -7.595 8.690 -3.257 57 3HB ALA 7 3HB ALA 7 -8.124 9.235 -1.665 58 H ARG 8 H ARG 8 -5.651 7.184 -3.099 59 HA ARG 8 HA ARG 8 -6.413 5.282 -5.140 60 1HB ARG 8 2HB ARG 8 -4.850 7.443 -5.258 61 2HB ARG 8 1HB ARG 8 -3.610 6.250 -4.898 62 1HG ARG 8 2HG ARG 8 -4.156 4.998 -6.865 63 2HG ARG 8 1HG ARG 8 -5.554 6.025 -7.183 64 1HD ARG 8 2HD ARG 8 -4.307 7.572 -8.199 65 2HD ARG 8 1HD ARG 8 -3.103 7.557 -6.912 66 HE ARG 8 HE ARG 8 -2.594 5.271 -8.272 67 1HH1 ARG 8 1HH1 ARG 8 -2.927 8.608 -9.236 68 2HH1 ARG 8 2HH1 ARG 8 -1.830 8.462 -10.569 69 1HH2 ARG 8 1HH2 ARG 8 -1.152 5.077 -10.023 70 2HH2 ARG 8 2HH2 ARG 8 -0.822 6.458 -11.016 71 H PHE 9 H PHE 9 -5.598 3.243 -5.441 72 HA PHE 9 HA PHE 9 -3.877 2.182 -3.299 73 1HB PHE 9 2HB PHE 9 -5.150 -0.008 -3.686 74 2HB PHE 9 1HB PHE 9 -5.994 1.268 -2.815 75 HD1 PHE 9 1HD PHE 9 -7.789 2.534 -3.903 76 HD2 PHE 9 2HD PHE 9 -5.884 -0.745 -5.832 77 HE1 PHE 9 1HE PHE 9 -9.640 2.415 -5.519 78 HE2 PHE 9 2HE PHE 9 -7.731 -0.871 -7.452 79 HZ PHE 9 HZ PHE 9 -9.612 0.710 -7.297 80 H MET 10 H MET 10 -1.984 2.225 -4.454 81 HA MET 10 HA MET 10 -1.565 0.092 -6.305 82 1HB MET 10 2HB MET 10 -1.957 2.844 -7.313 83 2HB MET 10 1HB MET 10 -0.560 1.993 -7.956 84 1HG MET 10 2HG MET 10 -1.827 0.788 -9.308 85 2HG MET 10 1HG MET 10 -2.864 0.281 -7.977 86 1HE MET 10 1HE MET 10 -2.091 2.230 -10.822 87 2HE MET 10 2HE MET 10 -2.866 3.800 -10.605 88 3HE MET 10 3HE MET 10 -3.704 2.516 -11.477 89 H CYS 11 H CYS 11 0.388 -0.661 -5.860 90 HA CYS 11 HA CYS 11 2.275 0.979 -4.393 91 1HB CYS 11 2HB CYS 11 1.658 -1.550 -4.018 92 2HB CYS 11 1HB CYS 11 2.871 -1.821 -5.265 93 H LEU 12 H LEU 12 2.942 2.456 -5.951 94 HA LEU 12 HA LEU 12 3.900 1.791 -8.511 95 1HB LEU 12 2HB LEU 12 4.955 4.161 -7.029 96 2HB LEU 12 1HB LEU 12 4.537 4.008 -8.725 97 HG LEU 12 HG LEU 12 2.652 4.328 -6.395 98 1HD1 LEU 12 1HD1 LEU 12 2.614 6.019 -8.830 99 2HD1 LEU 12 2HD1 LEU 12 3.932 6.255 -7.682 100 3HD1 LEU 12 3HD1 LEU 12 2.259 6.434 -7.154 101 1HD2 LEU 12 1HD2 LEU 12 2.056 3.636 -9.265 102 2HD2 LEU 12 2HD2 LEU 12 0.858 4.269 -8.138 103 3HD2 LEU 12 3HD2 LEU 12 1.627 2.714 -7.824 104 HA PRO 13 HA PRO 13 8.313 2.252 -6.068 105 1HB PRO 13 2HB PRO 13 7.231 0.330 -4.036 106 2HB PRO 13 1HB PRO 13 8.534 1.515 -3.875 107 1HG PRO 13 2HG PRO 13 6.107 2.049 -2.930 108 2HG PRO 13 1HG PRO 13 7.069 3.308 -3.726 109 1HD PRO 13 2HD PRO 13 4.672 1.865 -4.698 110 2HD PRO 13 1HD PRO 13 5.267 3.481 -5.125 111 H CYS 14 H CYS 14 6.204 -0.616 -6.210 112 HA CYS 14 HA CYS 14 8.420 -2.092 -7.434 113 1HB CYS 14 2HB CYS 14 7.381 -4.108 -6.601 114 2HB CYS 14 1HB CYS 14 7.636 -3.000 -5.266 115 H GLY 15 H GLY 15 5.066 -1.143 -7.633 116 1HA GLY 15 2HA GLY 15 3.897 -0.821 -9.627 117 2HA GLY 15 1HA GLY 15 5.067 -1.847 -10.426 118 H ILE 16 H ILE 16 2.567 -2.058 -7.909 119 HA ILE 16 HA ILE 16 1.417 -4.362 -9.270 120 HB ILE 16 HB ILE 16 2.117 -4.530 -6.338 121 1HG1 ILE 16 2HG1 ILE 16 3.446 -5.918 -8.677 122 2HG1 ILE 16 1HG1 ILE 16 4.146 -4.586 -7.763 123 1HG2 ILE 16 1HG2 ILE 16 0.627 -6.231 -8.249 124 2HG2 ILE 16 2HG2 ILE 16 0.373 -5.971 -6.524 125 3HG2 ILE 16 3HG2 ILE 16 1.657 -7.047 -7.073 126 1HD1 ILE 16 1HD1 ILE 16 5.150 -6.479 -6.873 127 2HD1 ILE 16 2HD1 ILE 16 3.648 -7.403 -6.895 128 3HD1 ILE 16 3HD1 ILE 16 3.868 -6.106 -5.721 129 H ALA 17 H ALA 17 -0.561 -3.537 -9.605 130 HA ALA 17 HA ALA 17 -1.869 -1.907 -7.600 131 1HB ALA 17 1HB ALA 17 -1.947 -1.788 -10.263 132 2HB ALA 17 2HB ALA 17 -3.275 -1.226 -9.246 133 3HB ALA 17 3HB ALA 17 -3.353 -2.820 -9.995 134 H PHE 18 H PHE 18 -2.796 -2.883 -5.919 135 HA PHE 18 HA PHE 18 -3.891 -5.557 -6.174 136 1HB PHE 18 2HB PHE 18 -3.082 -3.752 -3.966 137 2HB PHE 18 1HB PHE 18 -4.359 -4.902 -3.620 138 HD1 PHE 18 1HD PHE 18 -3.883 -7.375 -4.134 139 HD2 PHE 18 2HD PHE 18 -0.862 -4.388 -3.882 140 HE1 PHE 18 1HE PHE 18 -2.188 -9.122 -3.773 141 HE2 PHE 18 2HE PHE 18 0.837 -6.129 -3.521 142 HZ PHE 18 HZ PHE 18 0.175 -8.498 -3.466 143 H SER 19 H SER 19 -6.040 -6.086 -5.844 144 HA SER 19 HA SER 19 -7.931 -3.967 -6.403 145 1HB SER 19 2HB SER 19 -9.520 -6.097 -6.258 146 2HB SER 19 1HB SER 19 -8.518 -5.783 -7.675 147 HG SER 19 HG SER 19 -7.141 -7.344 -7.071 148 H SER 20 H SER 20 -6.692 -3.988 -3.729 149 HA SER 20 HA SER 20 -9.069 -3.590 -2.220 150 1HB SER 20 2HB SER 20 -7.829 -6.184 -2.085 151 2HB SER 20 1HB SER 20 -7.727 -5.391 -0.513 152 HG SER 20 HG SER 20 -10.057 -4.937 -0.871 153 HA PRO 21 HA PRO 21 -6.246 -0.850 -0.187 154 1HB PRO 21 2HB PRO 21 -7.729 -0.151 1.954 155 2HB PRO 21 1HB PRO 21 -8.123 0.392 0.319 156 1HG PRO 21 2HG PRO 21 -9.324 -1.832 1.918 157 2HG PRO 21 1HG PRO 21 -10.129 -0.629 0.894 158 1HD PRO 21 2HD PRO 21 -9.603 -3.183 0.086 159 2HD PRO 21 1HD PRO 21 -9.710 -1.808 -1.030 160 H SER 22 H SER 22 -7.885 -3.190 1.950 161 HA SER 22 HA SER 22 -5.972 -3.115 4.016 162 1HB SER 22 2HB SER 22 -7.823 -5.382 3.220 163 2HB SER 22 1HB SER 22 -6.976 -5.242 4.761 164 HG SER 22 HG SER 22 -8.133 -3.144 4.920 165 H THR 23 H THR 23 -6.141 -4.878 1.003 166 HA THR 23 HA THR 23 -4.124 -6.774 1.556 167 HB THR 23 HB THR 23 -4.756 -5.638 -1.168 168 HG1 THR 23 1HG THR 23 -6.379 -7.267 -1.243 169 1HG2 THR 23 1HG2 THR 23 -4.483 -8.153 -1.712 170 2HG2 THR 23 2HG2 THR 23 -3.588 -8.201 -0.193 171 3HG2 THR 23 3HG2 THR 23 -3.051 -7.144 -1.499 172 H LEU 24 H LEU 24 -4.076 -3.471 0.407 173 HA LEU 24 HA LEU 24 -1.417 -3.342 -0.455 174 1HB LEU 24 2HB LEU 24 -2.697 -1.026 0.935 175 2HB LEU 24 1HB LEU 24 -1.672 -1.037 -0.480 176 HG LEU 24 HG LEU 24 -4.564 -1.865 -0.377 177 1HD1 LEU 24 1HD1 LEU 24 -3.401 0.396 -1.956 178 2HD1 LEU 24 2HD1 LEU 24 -3.888 0.613 -0.274 179 3HD1 LEU 24 3HD1 LEU 24 -5.075 0.115 -1.479 180 1HD2 LEU 24 1HD2 LEU 24 -3.555 -3.251 -1.992 181 2HD2 LEU 24 2HD2 LEU 24 -2.533 -1.943 -2.589 182 3HD2 LEU 24 3HD2 LEU 24 -4.270 -1.915 -2.894 183 H GLU 25 H GLU 25 -2.919 -2.795 2.670 184 HA GLU 25 HA GLU 25 -0.553 -2.090 4.045 185 1HB GLU 25 2HB GLU 25 -3.156 -1.984 4.687 186 2HB GLU 25 1HB GLU 25 -2.736 -3.474 5.519 187 1HG GLU 25 2HG GLU 25 -1.580 -2.404 7.112 188 2HG GLU 25 1HG GLU 25 -0.871 -1.261 5.972 189 H ALA 26 H ALA 26 -1.984 -5.109 3.147 190 HA ALA 26 HA ALA 26 -0.427 -6.712 4.880 191 1HB ALA 26 1HB ALA 26 -2.386 -7.780 4.285 192 2HB ALA 26 2HB ALA 26 -1.217 -8.545 3.208 193 3HB ALA 26 3HB ALA 26 -2.268 -7.265 2.602 194 H HIS 27 H HIS 27 -0.206 -5.532 1.624 195 HA HIS 27 HA HIS 27 2.059 -7.110 0.865 196 1HB HIS 27 2HB HIS 27 0.602 -6.303 -0.866 197 2HB HIS 27 1HB HIS 27 0.746 -4.649 -0.300 198 HD1 HIS 27 1HD HIS 27 2.798 -7.309 -2.071 199 HD2 HIS 27 2HD HIS 27 2.757 -3.211 -1.391 200 HE1 HIS 27 1HE HIS 27 4.587 -6.323 -3.564 201 H GLN 28 H GLN 28 1.536 -3.740 1.770 202 HA GLN 28 HA GLN 28 4.283 -3.028 1.803 203 1HB GLN 28 2HB GLN 28 1.749 -1.756 2.282 204 2HB GLN 28 1HB GLN 28 2.867 -1.334 3.571 205 1HG GLN 28 2HG GLN 28 3.748 -1.140 0.731 206 2HG GLN 28 1HG GLN 28 2.721 0.117 1.420 207 1HE2 GLN 28 1HE2 GLN 28 4.842 1.225 0.729 208 2HE2 GLN 28 2HE2 GLN 28 6.022 1.411 1.978 209 H ALA 29 H ALA 29 2.381 -4.892 3.906 210 HA ALA 29 HA ALA 29 3.690 -4.215 6.356 211 1HB ALA 29 1HB ALA 29 1.664 -6.185 5.484 212 2HB ALA 29 2HB ALA 29 1.658 -5.078 6.857 213 3HB ALA 29 3HB ALA 29 2.590 -6.573 6.935 214 H TYR 30 H TYR 30 3.828 -7.133 4.270 215 HA TYR 30 HA TYR 30 6.589 -7.508 5.188 216 1HB TYR 30 2HB TYR 30 4.308 -9.377 5.541 217 2HB TYR 30 1HB TYR 30 5.868 -10.074 5.124 218 HD1 TYR 30 1HD TYR 30 4.268 -7.756 7.563 219 HD2 TYR 30 2HD TYR 30 7.430 -10.496 6.798 220 HE1 TYR 30 1HE TYR 30 4.953 -7.614 9.920 221 HE2 TYR 30 2HE TYR 30 8.124 -10.363 9.153 222 HH TYR 30 HH TYR 30 6.901 -7.994 11.299 223 H TYR 31 H TYR 31 4.789 -7.010 2.545 224 HA TYR 31 HA TYR 31 6.053 -9.070 0.904 225 1HB TYR 31 2HB TYR 31 3.577 -7.896 0.783 226 2HB TYR 31 1HB TYR 31 4.454 -7.050 -0.485 227 HD1 TYR 31 1HD TYR 31 3.224 -10.321 0.656 228 HD2 TYR 31 2HD TYR 31 5.124 -8.190 -2.498 229 HE1 TYR 31 1HE TYR 31 2.862 -12.233 -0.844 230 HE2 TYR 31 2HE TYR 31 4.767 -10.097 -4.009 231 HH TYR 31 HH TYR 31 4.212 -13.050 -3.145 232 H CYS 32 H CYS 32 5.522 -5.591 0.332 233 HA CYS 32 HA CYS 32 7.723 -5.314 -1.383 234 1HB CYS 32 2HB CYS 32 5.632 -3.696 -0.577 235 2HB CYS 32 1HB CYS 32 7.044 -2.871 0.073 236 H SER 33 H SER 33 9.813 -5.402 -0.951 237 HA SER 33 HA SER 33 11.768 -5.523 0.229 238 1HB SER 33 2HB SER 33 11.281 -3.020 -0.136 239 2HB SER 33 1HB SER 33 10.859 -2.987 1.576 240 HG SER 33 HG SER 33 13.105 -2.481 1.034 241 H HIS 34 H HIS 34 12.571 -4.707 2.720 242 HA HIS 34 HA HIS 34 10.872 -6.315 4.513 243 1HB HIS 34 2HB HIS 34 13.878 -6.018 4.658 244 2HB HIS 34 1HB HIS 34 12.873 -7.066 5.653 245 HD1 HIS 34 1HD HIS 34 14.815 -7.026 2.588 246 HD2 HIS 34 2HD HIS 34 11.617 -9.212 4.087 247 HE1 HIS 34 1HE HIS 34 14.695 -9.099 1.169 248 HE2 HIS 34 2HE HIS 34 12.813 -10.450 2.157 249 H ARG 35 H ARG 35 9.749 -4.467 5.240 250 HA ARG 35 HA ARG 35 11.208 -2.287 6.450 251 1HB ARG 35 2HB ARG 35 8.957 -2.131 5.216 252 2HB ARG 35 1HB ARG 35 8.246 -2.772 6.691 253 1HG ARG 35 2HG ARG 35 9.074 -0.879 7.951 254 2HG ARG 35 1HG ARG 35 9.884 -0.251 6.514 255 1HD ARG 35 2HD ARG 35 7.977 0.570 5.642 256 2HD ARG 35 1HD ARG 35 7.017 -0.804 6.187 257 HE ARG 35 HE ARG 35 7.835 0.949 8.312 258 1HH1 ARG 35 1HH1 ARG 35 5.420 0.353 5.865 259 2HH1 ARG 35 2HH1 ARG 35 4.183 1.241 6.691 260 1HH2 ARG 35 1HH2 ARG 35 6.211 2.116 9.400 261 2HH2 ARG 35 2HH2 ARG 35 4.633 2.242 8.698 262 H ILE 36 H ILE 36 11.077 -1.688 8.661 263 HA ILE 36 HA ILE 36 9.980 -3.545 10.581 264 HB ILE 36 HB ILE 36 12.145 -4.592 10.077 265 1HG1 ILE 36 2HG1 ILE 36 12.575 -3.403 12.776 266 2HG1 ILE 36 1HG1 ILE 36 11.062 -4.261 12.494 267 1HG2 ILE 36 1HG2 ILE 36 13.707 -2.433 11.336 268 2HG2 ILE 36 2HG2 ILE 36 13.107 -2.105 9.710 269 3HG2 ILE 36 3HG2 ILE 36 14.124 -3.514 10.006 270 1HD1 ILE 36 1HD1 ILE 36 12.059 -6.259 12.517 271 2HD1 ILE 36 2HD1 ILE 36 13.372 -5.407 13.328 272 3HD1 ILE 36 3HD1 ILE 36 13.447 -5.692 11.589 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -10.274 14.181 1.786 2 2H GLY 1 2HT GLY 1 -8.757 13.480 2.043 3 3H GLY 1 3HT GLY 1 -9.310 13.743 0.468 4 1HA GLY 1 1HA GLY 1 -9.110 16.068 0.647 5 2HA GLY 1 2HA GLY 1 -8.885 15.955 2.387 6 H SER 2 H SER 2 -7.350 13.829 0.052 7 HA SER 2 HA SER 2 -5.178 13.480 -0.516 8 1HB SER 2 2HB SER 2 -5.328 16.412 -0.151 9 2HB SER 2 1HB SER 2 -3.709 15.720 -0.084 10 HG SER 2 HG SER 2 -4.953 16.325 -2.230 11 H LEU 3 H LEU 3 -4.563 15.859 2.044 12 HA LEU 3 HA LEU 3 -2.626 14.231 3.308 13 1HB LEU 3 2HB LEU 3 -2.886 15.926 5.193 14 2HB LEU 3 1HB LEU 3 -2.363 16.530 3.632 15 HG LEU 3 HG LEU 3 -5.274 16.612 4.056 16 1HD1 LEU 3 1HD1 LEU 3 -3.395 17.866 5.959 17 2HD1 LEU 3 2HD1 LEU 3 -5.071 17.364 6.179 18 3HD1 LEU 3 3HD1 LEU 3 -4.705 18.880 5.354 19 1HD2 LEU 3 1HD2 LEU 3 -3.659 17.633 2.217 20 2HD2 LEU 3 2HD2 LEU 3 -3.606 18.967 3.370 21 3HD2 LEU 3 3HD2 LEU 3 -5.151 18.439 2.704 22 H LEU 4 H LEU 4 -2.714 12.965 5.121 23 HA LEU 4 HA LEU 4 -3.592 11.564 6.679 24 1HB LEU 4 2HB LEU 4 -4.978 14.051 6.991 25 2HB LEU 4 1HB LEU 4 -6.094 12.735 7.300 26 HG LEU 4 HG LEU 4 -5.006 13.535 9.353 27 1HD1 LEU 4 1HD1 LEU 4 -5.532 10.995 8.682 28 2HD1 LEU 4 2HD1 LEU 4 -4.906 11.471 10.261 29 3HD1 LEU 4 3HD1 LEU 4 -3.808 10.859 9.023 30 1HD2 LEU 4 1HD2 LEU 4 -2.579 13.050 7.737 31 2HD2 LEU 4 2HD2 LEU 4 -2.499 12.607 9.441 32 3HD2 LEU 4 3HD2 LEU 4 -2.895 14.261 8.979 33 H LYS 5 H LYS 5 -5.061 9.845 6.906 34 HA LYS 5 HA LYS 5 -6.490 8.236 6.190 35 1HB LYS 5 2HB LYS 5 -7.849 10.668 5.045 36 2HB LYS 5 1HB LYS 5 -8.509 9.052 4.842 37 1HG LYS 5 2HG LYS 5 -8.048 9.149 7.534 38 2HG LYS 5 1HG LYS 5 -8.527 10.808 7.170 39 1HD LYS 5 2HD LYS 5 -10.593 9.908 7.500 40 2HD LYS 5 1HD LYS 5 -10.411 9.546 5.782 41 1HE LYS 5 2HE LYS 5 -9.447 7.316 6.493 42 2HE LYS 5 1HE LYS 5 -9.998 7.700 8.123 43 1HZ LYS 5 1HZ LYS 5 -11.534 6.941 5.776 44 2HZ LYS 5 2HZ LYS 5 -12.221 8.145 6.745 45 3HZ LYS 5 3HZ LYS 5 -11.836 6.640 7.414 46 HA PRO 6 HA PRO 6 -4.643 7.231 2.257 47 1HB PRO 6 2HB PRO 6 -5.593 4.712 2.026 48 2HB PRO 6 1HB PRO 6 -4.300 5.136 3.154 49 1HG PRO 6 2HG PRO 6 -7.222 4.752 3.680 50 2HG PRO 6 1HG PRO 6 -5.831 4.186 4.624 51 1HD PRO 6 2HD PRO 6 -7.273 6.394 5.287 52 2HD PRO 6 1HD PRO 6 -5.545 6.222 5.655 53 H ALA 7 H ALA 7 -5.255 6.946 0.092 54 HA ALA 7 HA ALA 7 -8.053 6.648 -0.590 55 1HB ALA 7 1HB ALA 7 -7.778 8.815 -2.055 56 2HB ALA 7 2HB ALA 7 -6.618 9.248 -0.799 57 3HB ALA 7 3HB ALA 7 -8.297 8.915 -0.371 58 H ARG 8 H ARG 8 -5.507 5.254 -1.079 59 HA ARG 8 HA ARG 8 -5.751 5.074 -3.981 60 1HB ARG 8 2HB ARG 8 -3.115 5.472 -2.556 61 2HB ARG 8 1HB ARG 8 -3.281 5.030 -4.249 62 1HG ARG 8 2HG ARG 8 -4.837 7.257 -4.118 63 2HG ARG 8 1HG ARG 8 -3.576 7.630 -2.940 64 1HD ARG 8 2HD ARG 8 -2.715 8.446 -4.945 65 2HD ARG 8 1HD ARG 8 -1.933 6.876 -4.766 66 HE ARG 8 HE ARG 8 -4.143 6.332 -6.247 67 1HH1 ARG 8 1HH1 ARG 8 -1.511 8.599 -6.577 68 2HH1 ARG 8 2HH1 ARG 8 -1.566 8.603 -8.308 69 1HH2 ARG 8 1HH2 ARG 8 -4.219 6.336 -8.523 70 2HH2 ARG 8 2HH2 ARG 8 -3.104 7.319 -9.413 71 H PHE 9 H PHE 9 -4.552 3.127 -4.827 72 HA PHE 9 HA PHE 9 -3.973 1.049 -2.915 73 1HB PHE 9 2HB PHE 9 -5.682 -0.494 -3.562 74 2HB PHE 9 1HB PHE 9 -6.469 1.014 -3.124 75 HD1 PHE 9 1HD PHE 9 -5.357 2.066 -6.063 76 HD2 PHE 9 2HD PHE 9 -7.921 -0.997 -4.592 77 HE1 PHE 9 1HE PHE 9 -6.559 2.051 -8.204 78 HE2 PHE 9 2HE PHE 9 -9.125 -1.018 -6.736 79 HZ PHE 9 HZ PHE 9 -8.445 0.506 -8.545 80 H MET 10 H MET 10 -2.100 1.942 -4.441 81 HA MET 10 HA MET 10 -1.474 -0.250 -6.174 82 1HB MET 10 2HB MET 10 -2.840 1.095 -7.703 83 2HB MET 10 1HB MET 10 -1.822 2.494 -7.394 84 1HG MET 10 2HG MET 10 0.027 0.690 -8.194 85 2HG MET 10 1HG MET 10 -1.374 0.173 -9.131 86 1HE MET 10 1HE MET 10 0.686 0.529 -10.604 87 2HE MET 10 2HE MET 10 1.353 2.090 -11.082 88 3HE MET 10 3HE MET 10 -0.061 1.443 -11.914 89 H CYS 11 H CYS 11 0.595 -0.656 -5.818 90 HA CYS 11 HA CYS 11 2.309 1.377 -4.671 91 1HB CYS 11 2HB CYS 11 2.136 -1.241 -4.153 92 2HB CYS 11 1HB CYS 11 3.373 -1.307 -5.402 93 H LEU 12 H LEU 12 2.540 2.806 -6.431 94 HA LEU 12 HA LEU 12 3.257 2.202 -9.025 95 1HB LEU 12 2HB LEU 12 4.500 4.577 -7.703 96 2HB LEU 12 1HB LEU 12 3.820 4.429 -9.310 97 HG LEU 12 HG LEU 12 1.617 4.033 -7.718 98 1HD1 LEU 12 1HD1 LEU 12 2.179 6.407 -6.385 99 2HD1 LEU 12 2HD1 LEU 12 3.610 5.405 -6.139 100 3HD1 LEU 12 3HD1 LEU 12 2.020 4.801 -5.674 101 1HD2 LEU 12 1HD2 LEU 12 2.403 6.791 -8.562 102 2HD2 LEU 12 2HD2 LEU 12 0.833 5.993 -8.658 103 3HD2 LEU 12 3HD2 LEU 12 2.122 5.540 -9.773 104 HA PRO 13 HA PRO 13 7.886 2.220 -7.795 105 1HB PRO 13 2HB PRO 13 8.165 2.160 -4.929 106 2HB PRO 13 1HB PRO 13 8.656 3.432 -6.048 107 1HG PRO 13 2HG PRO 13 6.643 3.693 -4.196 108 2HG PRO 13 1HG PRO 13 6.764 4.650 -5.682 109 1HD PRO 13 2HD PRO 13 5.078 2.242 -5.106 110 2HD PRO 13 1HD PRO 13 4.667 3.717 -6.008 111 H CYS 14 H CYS 14 6.268 0.011 -8.129 112 HA CYS 14 HA CYS 14 7.879 -2.049 -6.931 113 1HB CYS 14 2HB CYS 14 5.295 -1.368 -5.838 114 2HB CYS 14 1HB CYS 14 5.285 -3.011 -6.465 115 H GLY 15 H GLY 15 4.897 -1.403 -8.742 116 1HA GLY 15 2HA GLY 15 4.912 -1.978 -11.122 117 2HA GLY 15 1HA GLY 15 5.730 -3.453 -10.653 118 H ILE 16 H ILE 16 3.835 -3.509 -8.235 119 HA ILE 16 HA ILE 16 1.682 -4.902 -9.655 120 HB ILE 16 HB ILE 16 1.153 -5.815 -7.348 121 1HG1 ILE 16 2HG1 ILE 16 3.918 -4.779 -6.702 122 2HG1 ILE 16 1HG1 ILE 16 2.435 -4.006 -6.151 123 1HG2 ILE 16 1HG2 ILE 16 2.377 -7.046 -9.116 124 2HG2 ILE 16 2HG2 ILE 16 2.845 -7.517 -7.483 125 3HG2 ILE 16 3HG2 ILE 16 3.891 -6.458 -8.429 126 1HD1 ILE 16 1HD1 ILE 16 3.809 -6.363 -5.142 127 2HD1 ILE 16 2HD1 ILE 16 2.075 -6.599 -5.364 128 3HD1 ILE 16 3HD1 ILE 16 2.662 -5.285 -4.345 129 H ALA 17 H ALA 17 -0.512 -4.774 -8.718 130 HA ALA 17 HA ALA 17 -1.117 -2.298 -7.294 131 1HB ALA 17 1HB ALA 17 -1.171 -1.929 -9.826 132 2HB ALA 17 2HB ALA 17 -2.582 -1.426 -8.897 133 3HB ALA 17 3HB ALA 17 -2.621 -2.931 -9.813 134 H PHE 18 H PHE 18 -2.219 -3.037 -5.587 135 HA PHE 18 HA PHE 18 -3.856 -5.395 -5.756 136 1HB PHE 18 2HB PHE 18 -3.062 -3.514 -3.544 137 2HB PHE 18 1HB PHE 18 -4.200 -4.820 -3.303 138 HD1 PHE 18 1HD PHE 18 -3.432 -7.194 -3.768 139 HD2 PHE 18 2HD PHE 18 -0.764 -3.892 -3.475 140 HE1 PHE 18 1HE PHE 18 -1.559 -8.745 -3.386 141 HE2 PHE 18 2HE PHE 18 1.113 -5.436 -3.094 142 HZ PHE 18 HZ PHE 18 0.718 -7.866 -3.050 143 H SER 19 H SER 19 -5.983 -5.409 -6.106 144 HA SER 19 HA SER 19 -7.411 -2.901 -6.352 145 1HB SER 19 2HB SER 19 -7.544 -5.081 -7.856 146 2HB SER 19 1HB SER 19 -8.778 -5.534 -6.680 147 HG SER 19 HG SER 19 -9.379 -4.239 -8.663 148 H SER 20 H SER 20 -6.677 -3.413 -3.688 149 HA SER 20 HA SER 20 -9.204 -3.167 -2.418 150 1HB SER 20 2HB SER 20 -9.523 -5.403 -2.140 151 2HB SER 20 1HB SER 20 -7.815 -5.777 -2.351 152 HG SER 20 HG SER 20 -8.480 -6.176 -0.215 153 HA PRO 21 HA PRO 21 -6.658 -0.826 0.319 154 1HB PRO 21 2HB PRO 21 -8.244 -0.712 2.515 155 2HB PRO 21 1HB PRO 21 -8.586 0.197 1.038 156 1HG PRO 21 2HG PRO 21 -9.758 -2.390 1.985 157 2HG PRO 21 1HG PRO 21 -10.572 -0.995 1.252 158 1HD PRO 21 2HD PRO 21 -9.945 -3.229 -0.151 159 2HD PRO 21 1HD PRO 21 -9.973 -1.612 -0.886 160 H SER 22 H SER 22 -8.202 -3.643 1.870 161 HA SER 22 HA SER 22 -6.412 -3.894 4.002 162 1HB SER 22 2HB SER 22 -8.256 -5.811 2.606 163 2HB SER 22 1HB SER 22 -7.161 -6.394 3.861 164 HG SER 22 HG SER 22 -8.096 -4.729 5.225 165 H THR 23 H THR 23 -6.261 -5.141 0.706 166 HA THR 23 HA THR 23 -4.078 -6.868 1.062 167 HB THR 23 HB THR 23 -3.907 -5.757 -1.543 168 HG1 THR 23 1HG THR 23 -6.591 -6.320 -0.854 169 1HG2 THR 23 1HG2 THR 23 -5.414 -8.226 -0.734 170 2HG2 THR 23 2HG2 THR 23 -3.662 -8.147 -0.911 171 3HG2 THR 23 3HG2 THR 23 -4.703 -7.863 -2.306 172 H LEU 24 H LEU 24 -4.265 -3.424 0.405 173 HA LEU 24 HA LEU 24 -1.583 -2.934 -0.174 174 1HB LEU 24 2HB LEU 24 -3.143 -0.987 1.465 175 2HB LEU 24 1HB LEU 24 -2.054 -0.693 0.130 176 HG LEU 24 HG LEU 24 -4.886 -1.698 -0.038 177 1HD1 LEU 24 1HD1 LEU 24 -5.166 0.382 -1.385 178 2HD1 LEU 24 2HD1 LEU 24 -3.538 0.852 -0.896 179 3HD1 LEU 24 3HD1 LEU 24 -4.802 0.658 0.318 180 1HD2 LEU 24 1HD2 LEU 24 -3.463 -2.843 -1.680 181 2HD2 LEU 24 2HD2 LEU 24 -2.901 -1.278 -2.270 182 3HD2 LEU 24 3HD2 LEU 24 -4.596 -1.731 -2.451 183 H GLU 25 H GLU 25 -3.320 -3.036 2.882 184 HA GLU 25 HA GLU 25 -1.117 -2.366 4.523 185 1HB GLU 25 2HB GLU 25 -3.752 -2.596 4.983 186 2HB GLU 25 1HB GLU 25 -3.231 -4.156 5.603 187 1HG GLU 25 2HG GLU 25 -1.435 -2.348 6.695 188 2HG GLU 25 1HG GLU 25 -2.991 -1.523 6.767 189 H ALA 26 H ALA 26 -2.177 -5.301 3.036 190 HA ALA 26 HA ALA 26 -0.608 -7.040 4.616 191 1HB ALA 26 1HB ALA 26 -2.527 -7.990 3.590 192 2HB ALA 26 2HB ALA 26 -1.124 -8.702 2.793 193 3HB ALA 26 3HB ALA 26 -2.032 -7.416 1.998 194 H HIS 27 H HIS 27 -0.238 -5.299 1.626 195 HA HIS 27 HA HIS 27 2.225 -6.546 0.866 196 1HB HIS 27 2HB HIS 27 0.772 -5.526 -0.819 197 2HB HIS 27 1HB HIS 27 0.927 -3.960 -0.035 198 HD1 HIS 27 1HD HIS 27 3.107 -6.486 -1.876 199 HD2 HIS 27 2HD HIS 27 2.960 -2.442 -0.933 200 HE1 HIS 27 1HE HIS 27 5.000 -5.392 -3.145 201 H GLN 28 H GLN 28 1.307 -3.422 2.248 202 HA GLN 28 HA GLN 28 3.930 -2.463 2.646 203 1HB GLN 28 2HB GLN 28 1.240 -1.626 3.254 204 2HB GLN 28 1HB GLN 28 2.269 -1.375 4.658 205 1HG GLN 28 2HG GLN 28 3.521 -0.490 2.198 206 2HG GLN 28 1HG GLN 28 1.984 0.317 2.505 207 1HE2 GLN 28 1HE2 GLN 28 5.127 0.737 2.852 208 2HE2 GLN 28 2HE2 GLN 28 5.185 1.647 4.320 209 H ALA 29 H ALA 29 2.085 -4.864 4.231 210 HA ALA 29 HA ALA 29 3.157 -4.693 6.831 211 1HB ALA 29 1HB ALA 29 1.475 -6.528 5.331 212 2HB ALA 29 2HB ALA 29 1.419 -6.071 7.033 213 3HB ALA 29 3HB ALA 29 2.516 -7.344 6.498 214 H TYR 30 H TYR 30 3.939 -7.093 4.270 215 HA TYR 30 HA TYR 30 6.714 -7.017 5.170 216 1HB TYR 30 2HB TYR 30 4.883 -9.373 5.334 217 2HB TYR 30 1HB TYR 30 6.597 -9.620 5.046 218 HD1 TYR 30 1HD TYR 30 4.154 -8.175 7.417 219 HD2 TYR 30 2HD TYR 30 8.164 -9.464 6.820 220 HE1 TYR 30 1HE TYR 30 4.568 -7.980 9.831 221 HE2 TYR 30 2HE TYR 30 8.590 -9.275 9.235 222 HH TYR 30 HH TYR 30 6.509 -7.665 11.348 223 H TYR 31 H TYR 31 4.893 -6.596 2.595 224 HA TYR 31 HA TYR 31 6.365 -8.368 0.796 225 1HB TYR 31 2HB TYR 31 3.927 -6.677 0.526 226 2HB TYR 31 1HB TYR 31 4.849 -7.051 -0.921 227 HD1 TYR 31 1HD TYR 31 4.251 -9.231 2.033 228 HD2 TYR 31 2HD TYR 31 3.435 -8.511 -2.081 229 HE1 TYR 31 1HE TYR 31 3.129 -11.414 1.879 230 HE2 TYR 31 2HE TYR 31 2.312 -10.691 -2.245 231 HH TYR 31 HH TYR 31 2.292 -12.845 -1.095 232 H CYS 32 H CYS 32 5.609 -4.888 0.968 233 HA CYS 32 HA CYS 32 7.511 -4.106 -0.948 234 1HB CYS 32 2HB CYS 32 5.512 -2.830 0.374 235 2HB CYS 32 1HB CYS 32 6.917 -2.167 1.201 236 H SER 33 H SER 33 9.418 -5.263 -0.417 237 HA SER 33 HA SER 33 11.580 -5.290 0.313 238 1HB SER 33 2HB SER 33 10.855 -2.660 0.773 239 2HB SER 33 1HB SER 33 11.417 -3.199 2.355 240 HG SER 33 HG SER 33 13.294 -4.051 1.104 241 H HIS 34 H HIS 34 12.799 -5.248 2.638 242 HA HIS 34 HA HIS 34 11.145 -6.969 4.364 243 1HB HIS 34 2HB HIS 34 14.140 -6.948 3.937 244 2HB HIS 34 1HB HIS 34 13.310 -7.951 5.123 245 HD1 HIS 34 1HD HIS 34 13.320 -7.410 1.359 246 HD2 HIS 34 2HD HIS 34 12.563 -10.376 4.168 247 HE1 HIS 34 1HE HIS 34 12.893 -9.502 0.030 248 HE2 HIS 34 2HE HIS 34 12.344 -11.260 1.748 249 H ARG 35 H ARG 35 10.321 -5.187 5.551 250 HA ARG 35 HA ARG 35 12.146 -3.449 6.963 251 1HB ARG 35 2HB ARG 35 9.152 -3.735 6.894 252 2HB ARG 35 1HB ARG 35 9.943 -2.701 8.076 253 1HG ARG 35 2HG ARG 35 11.107 -1.919 5.718 254 2HG ARG 35 1HG ARG 35 9.443 -2.265 5.243 255 1HD ARG 35 2HD ARG 35 9.647 -0.774 7.744 256 2HD ARG 35 1HD ARG 35 10.348 0.076 6.368 257 HE ARG 35 HE ARG 35 8.244 0.330 5.480 258 1HH1 ARG 35 1HH1 ARG 35 8.110 -1.948 8.124 259 2HH1 ARG 35 2HH1 ARG 35 6.380 -1.989 8.163 260 1HH2 ARG 35 1HH2 ARG 35 5.970 0.276 5.533 261 2HH2 ARG 35 2HH2 ARG 35 5.165 -0.728 6.694 262 H ILE 36 H ILE 36 11.404 -3.120 9.424 263 HA ILE 36 HA ILE 36 11.242 -5.757 10.709 264 HB ILE 36 HB ILE 36 13.607 -5.101 10.665 265 1HG1 ILE 36 2HG1 ILE 36 13.098 -4.649 13.512 266 2HG1 ILE 36 1HG1 ILE 36 12.149 -5.975 12.846 267 1HG2 ILE 36 1HG2 ILE 36 14.400 -3.142 11.853 268 2HG2 ILE 36 2HG2 ILE 36 12.744 -2.698 12.267 269 3HG2 ILE 36 3HG2 ILE 36 13.269 -2.671 10.584 270 1HD1 ILE 36 1HD1 ILE 36 13.926 -7.253 13.172 271 2HD1 ILE 36 2HD1 ILE 36 14.953 -5.858 13.505 272 3HD1 ILE 36 3HD1 ILE 36 14.696 -6.387 11.842 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -8.843 10.510 1.572 2 2H GLY 1 2HT GLY 1 -10.235 11.257 2.176 3 3H GLY 1 3HT GLY 1 -8.712 11.710 2.758 4 1HA GLY 1 1HA GLY 1 -9.050 11.960 -0.107 5 2HA GLY 1 2HA GLY 1 -10.047 13.038 0.857 6 H SER 2 H SER 2 -7.438 13.165 -0.871 7 HA SER 2 HA SER 2 -5.615 14.516 -0.967 8 1HB SER 2 2HB SER 2 -6.974 15.812 1.404 9 2HB SER 2 1HB SER 2 -5.533 16.463 0.625 10 HG SER 2 HG SER 2 -6.788 17.285 -0.829 11 H LEU 3 H LEU 3 -5.978 14.540 2.565 12 HA LEU 3 HA LEU 3 -3.584 12.854 2.781 13 1HB LEU 3 2HB LEU 3 -2.803 14.344 4.646 14 2HB LEU 3 1HB LEU 3 -2.703 15.038 3.039 15 HG LEU 3 HG LEU 3 -5.148 15.617 4.629 16 1HD1 LEU 3 1HD1 LEU 3 -2.409 16.410 5.400 17 2HD1 LEU 3 2HD1 LEU 3 -3.860 16.228 6.384 18 3HD1 LEU 3 3HD1 LEU 3 -3.634 17.678 5.407 19 1HD2 LEU 3 1HD2 LEU 3 -3.517 16.888 2.488 20 2HD2 LEU 3 2HD2 LEU 3 -4.487 17.918 3.541 21 3HD2 LEU 3 3HD2 LEU 3 -5.261 16.651 2.590 22 H LEU 4 H LEU 4 -3.229 12.454 5.306 23 HA LEU 4 HA LEU 4 -3.969 11.408 7.184 24 1HB LEU 4 2HB LEU 4 -6.013 13.411 6.609 25 2HB LEU 4 1HB LEU 4 -6.644 12.037 7.495 26 HG LEU 4 HG LEU 4 -5.915 13.912 8.948 27 1HD1 LEU 4 1HD1 LEU 4 -6.009 11.655 9.832 28 2HD1 LEU 4 2HD1 LEU 4 -4.644 12.531 10.526 29 3HD1 LEU 4 3HD1 LEU 4 -4.373 11.340 9.253 30 1HD2 LEU 4 1HD2 LEU 4 -3.823 14.193 7.290 31 2HD2 LEU 4 2HD2 LEU 4 -3.071 13.231 8.563 32 3HD2 LEU 4 3HD2 LEU 4 -3.829 14.774 8.954 33 H LYS 5 H LYS 5 -7.078 11.454 5.474 34 HA LYS 5 HA LYS 5 -7.314 8.594 5.788 35 1HB LYS 5 2HB LYS 5 -9.116 10.753 4.735 36 2HB LYS 5 1HB LYS 5 -9.513 9.056 4.498 37 1HG LYS 5 2HG LYS 5 -9.012 9.045 7.137 38 2HG LYS 5 1HG LYS 5 -9.594 10.699 6.939 39 1HD LYS 5 2HD LYS 5 -11.705 10.024 6.634 40 2HD LYS 5 1HD LYS 5 -11.222 8.758 5.504 41 1HE LYS 5 2HE LYS 5 -10.336 7.725 7.848 42 2HE LYS 5 1HE LYS 5 -11.755 8.618 8.393 43 1HZ LYS 5 1HZ LYS 5 -12.031 6.917 6.028 44 2HZ LYS 5 2HZ LYS 5 -13.160 7.279 7.234 45 3HZ LYS 5 3HZ LYS 5 -11.930 6.158 7.537 46 HA PRO 6 HA PRO 6 -5.437 7.967 1.740 47 1HB PRO 6 2HB PRO 6 -5.433 5.260 1.823 48 2HB PRO 6 1HB PRO 6 -4.250 6.241 2.696 49 1HG PRO 6 2HG PRO 6 -6.741 4.931 3.713 50 2HG PRO 6 1HG PRO 6 -5.133 5.003 4.456 51 1HD PRO 6 2HD PRO 6 -7.164 6.631 5.210 52 2HD PRO 6 1HD PRO 6 -5.462 7.134 5.267 53 H ALA 7 H ALA 7 -6.024 6.612 -0.205 54 HA ALA 7 HA ALA 7 -8.570 5.442 -0.483 55 1HB ALA 7 1HB ALA 7 -8.442 8.194 -1.693 56 2HB ALA 7 2HB ALA 7 -9.209 7.859 -0.140 57 3HB ALA 7 3HB ALA 7 -9.827 7.104 -1.610 58 H ARG 8 H ARG 8 -5.943 4.825 -1.261 59 HA ARG 8 HA ARG 8 -6.292 4.713 -4.175 60 1HB ARG 8 2HB ARG 8 -4.581 6.453 -3.473 61 2HB ARG 8 1HB ARG 8 -3.601 5.121 -2.874 62 1HG ARG 8 2HG ARG 8 -3.083 4.374 -4.965 63 2HG ARG 8 1HG ARG 8 -4.577 4.987 -5.674 64 1HD ARG 8 2HD ARG 8 -2.987 7.159 -4.663 65 2HD ARG 8 1HD ARG 8 -2.030 6.160 -5.756 66 HE ARG 8 HE ARG 8 -4.102 7.944 -6.482 67 1HH1 ARG 8 1HH1 ARG 8 -2.765 4.827 -7.301 68 2HH1 ARG 8 2HH1 ARG 8 -3.293 4.893 -8.949 69 1HH2 ARG 8 1HH2 ARG 8 -4.798 8.033 -8.649 70 2HH2 ARG 8 2HH2 ARG 8 -4.447 6.713 -9.714 71 H PHE 9 H PHE 9 -5.147 2.936 -5.199 72 HA PHE 9 HA PHE 9 -4.229 0.807 -3.432 73 1HB PHE 9 2HB PHE 9 -5.743 -0.698 -5.100 74 2HB PHE 9 1HB PHE 9 -6.283 -0.153 -3.517 75 HD1 PHE 9 1HD PHE 9 -8.203 1.134 -3.312 76 HD2 PHE 9 2HD PHE 9 -6.330 0.768 -7.116 77 HE1 PHE 9 1HE PHE 9 -10.111 2.284 -4.357 78 HE2 PHE 9 2HE PHE 9 -8.234 1.919 -8.167 79 HZ PHE 9 HZ PHE 9 -10.127 2.678 -6.787 80 H MET 10 H MET 10 -2.257 1.613 -4.509 81 HA MET 10 HA MET 10 -1.546 -0.109 -6.670 82 1HB MET 10 2HB MET 10 -2.313 2.667 -7.237 83 2HB MET 10 1HB MET 10 -0.739 2.218 -7.879 84 1HG MET 10 2HG MET 10 -1.894 0.196 -8.885 85 2HG MET 10 1HG MET 10 -3.411 0.996 -8.479 86 1HE MET 10 1HE MET 10 -3.526 0.225 -10.953 87 2HE MET 10 2HE MET 10 -2.023 0.390 -11.861 88 3HE MET 10 3HE MET 10 -3.394 1.439 -12.226 89 H CYS 11 H CYS 11 0.467 -0.714 -6.245 90 HA CYS 11 HA CYS 11 2.147 1.011 -4.588 91 1HB CYS 11 2HB CYS 11 1.671 -1.470 -4.068 92 2HB CYS 11 1HB CYS 11 2.796 -1.819 -5.376 93 H LEU 12 H LEU 12 2.924 2.480 -6.047 94 HA LEU 12 HA LEU 12 3.936 1.897 -8.599 95 1HB LEU 12 2HB LEU 12 5.013 4.180 -7.001 96 2HB LEU 12 1HB LEU 12 4.627 4.106 -8.708 97 HG LEU 12 HG LEU 12 2.701 4.376 -6.405 98 1HD1 LEU 12 1HD1 LEU 12 2.726 6.168 -8.761 99 2HD1 LEU 12 2HD1 LEU 12 4.056 6.318 -7.613 100 3HD1 LEU 12 3HD1 LEU 12 2.392 6.523 -7.066 101 1HD2 LEU 12 1HD2 LEU 12 1.112 4.596 -8.537 102 2HD2 LEU 12 2HD2 LEU 12 1.378 3.065 -7.701 103 3HD2 LEU 12 3HD2 LEU 12 2.272 3.432 -9.177 104 HA PRO 13 HA PRO 13 8.308 2.155 -6.049 105 1HB PRO 13 2HB PRO 13 7.137 0.165 -4.133 106 2HB PRO 13 1HB PRO 13 8.465 1.307 -3.888 107 1HG PRO 13 2HG PRO 13 6.030 1.858 -2.971 108 2HG PRO 13 1HG PRO 13 7.041 3.127 -3.685 109 1HD PRO 13 2HD PRO 13 4.630 1.797 -4.775 110 2HD PRO 13 1HD PRO 13 5.279 3.413 -5.116 111 H CYS 14 H CYS 14 6.165 -0.689 -6.309 112 HA CYS 14 HA CYS 14 8.367 -2.125 -7.606 113 1HB CYS 14 2HB CYS 14 7.293 -4.171 -6.857 114 2HB CYS 14 1HB CYS 14 7.622 -3.133 -5.482 115 H GLY 15 H GLY 15 5.017 -1.154 -7.745 116 1HA GLY 15 2HA GLY 15 3.848 -0.749 -9.726 117 2HA GLY 15 1HA GLY 15 4.992 -1.777 -10.558 118 H ILE 16 H ILE 16 2.464 -1.970 -8.072 119 HA ILE 16 HA ILE 16 1.287 -4.238 -9.465 120 HB ILE 16 HB ILE 16 1.976 -4.466 -6.535 121 1HG1 ILE 16 2HG1 ILE 16 3.292 -5.805 -8.909 122 2HG1 ILE 16 1HG1 ILE 16 4.016 -4.542 -7.919 123 1HG2 ILE 16 1HG2 ILE 16 0.414 -6.069 -8.453 124 2HG2 ILE 16 2HG2 ILE 16 0.246 -5.904 -6.705 125 3HG2 ILE 16 3HG2 ILE 16 1.480 -6.970 -7.376 126 1HD1 ILE 16 1HD1 ILE 16 3.903 -7.387 -7.485 127 2HD1 ILE 16 2HD1 ILE 16 3.259 -6.497 -6.104 128 3HD1 ILE 16 3HD1 ILE 16 4.889 -6.161 -6.690 129 H ALA 17 H ALA 17 -0.711 -3.480 -9.761 130 HA ALA 17 HA ALA 17 -1.988 -1.792 -7.785 131 1HB ALA 17 1HB ALA 17 -2.122 -1.571 -10.357 132 2HB ALA 17 2HB ALA 17 -3.578 -1.298 -9.400 133 3HB ALA 17 3HB ALA 17 -3.349 -2.833 -10.239 134 H PHE 18 H PHE 18 -2.853 -2.735 -6.048 135 HA PHE 18 HA PHE 18 -3.943 -5.416 -6.193 136 1HB PHE 18 2HB PHE 18 -3.130 -3.521 -4.066 137 2HB PHE 18 1HB PHE 18 -4.404 -4.655 -3.664 138 HD1 PHE 18 1HD PHE 18 -3.876 -7.163 -4.372 139 HD2 PHE 18 2HD PHE 18 -0.966 -4.140 -3.668 140 HE1 PHE 18 1HE PHE 18 -2.183 -8.897 -3.942 141 HE2 PHE 18 2HE PHE 18 0.732 -5.867 -3.237 142 HZ PHE 18 HZ PHE 18 0.124 -8.248 -3.374 143 H SER 19 H SER 19 -6.080 -5.954 -5.899 144 HA SER 19 HA SER 19 -7.997 -3.857 -6.455 145 1HB SER 19 2HB SER 19 -7.863 -6.342 -7.391 146 2HB SER 19 1HB SER 19 -8.859 -6.668 -5.973 147 HG SER 19 HG SER 19 -10.310 -5.058 -6.736 148 H SER 20 H SER 20 -6.736 -3.904 -3.772 149 HA SER 20 HA SER 20 -9.114 -3.517 -2.259 150 1HB SER 20 2HB SER 20 -7.617 -6.052 -1.974 151 2HB SER 20 1HB SER 20 -8.069 -5.252 -0.470 152 HG SER 20 HG SER 20 -9.929 -6.166 -0.807 153 HA PRO 21 HA PRO 21 -6.297 -0.840 -0.145 154 1HB PRO 21 2HB PRO 21 -7.773 -0.184 2.007 155 2HB PRO 21 1HB PRO 21 -8.192 0.370 0.381 156 1HG PRO 21 2HG PRO 21 -9.350 -1.883 1.971 157 2HG PRO 21 1HG PRO 21 -10.178 -0.684 0.962 158 1HD PRO 21 2HD PRO 21 -9.606 -3.233 0.139 159 2HD PRO 21 1HD PRO 21 -9.781 -1.856 -0.965 160 H SER 22 H SER 22 -7.919 -3.235 1.948 161 HA SER 22 HA SER 22 -6.016 -3.186 4.018 162 1HB SER 22 2HB SER 22 -8.345 -4.215 4.086 163 2HB SER 22 1HB SER 22 -7.660 -5.599 3.234 164 HG SER 22 HG SER 22 -6.628 -6.191 4.994 165 H THR 23 H THR 23 -6.164 -4.931 0.983 166 HA THR 23 HA THR 23 -4.117 -6.792 1.498 167 HB THR 23 HB THR 23 -4.931 -5.570 -1.148 168 HG1 THR 23 1HG THR 23 -6.621 -6.640 0.061 169 1HG2 THR 23 1HG2 THR 23 -4.147 -7.675 -2.131 170 2HG2 THR 23 2HG2 THR 23 -3.509 -8.154 -0.558 171 3HG2 THR 23 3HG2 THR 23 -2.843 -6.747 -1.390 172 H LEU 24 H LEU 24 -4.102 -3.463 0.440 173 HA LEU 24 HA LEU 24 -1.432 -3.279 -0.388 174 1HB LEU 24 2HB LEU 24 -2.770 -1.009 1.022 175 2HB LEU 24 1HB LEU 24 -1.725 -0.980 -0.379 176 HG LEU 24 HG LEU 24 -4.603 -1.863 -0.336 177 1HD1 LEU 24 1HD1 LEU 24 -5.035 0.115 -1.632 178 2HD1 LEU 24 2HD1 LEU 24 -3.320 0.525 -1.647 179 3HD1 LEU 24 3HD1 LEU 24 -4.225 0.572 -0.134 180 1HD2 LEU 24 1HD2 LEU 24 -3.292 -3.165 -1.931 181 2HD2 LEU 24 2HD2 LEU 24 -2.667 -1.674 -2.639 182 3HD2 LEU 24 3HD2 LEU 24 -4.386 -2.055 -2.757 183 H GLU 25 H GLU 25 -2.994 -2.813 2.722 184 HA GLU 25 HA GLU 25 -0.700 -2.053 4.163 185 1HB GLU 25 2HB GLU 25 -3.315 -2.132 4.760 186 2HB GLU 25 1HB GLU 25 -2.814 -3.617 5.553 187 1HG GLU 25 2HG GLU 25 -1.034 -1.412 6.151 188 2HG GLU 25 1HG GLU 25 -2.703 -1.060 6.594 189 H ALA 26 H ALA 26 -1.947 -5.127 3.169 190 HA ALA 26 HA ALA 26 -0.308 -6.680 4.870 191 1HB ALA 26 1HB ALA 26 -2.252 -7.207 2.729 192 2HB ALA 26 2HB ALA 26 -2.038 -8.008 4.286 193 3HB ALA 26 3HB ALA 26 -0.987 -8.420 2.930 194 H HIS 27 H HIS 27 -0.134 -5.399 1.648 195 HA HIS 27 HA HIS 27 2.227 -6.827 0.875 196 1HB HIS 27 2HB HIS 27 0.655 -6.033 -0.810 197 2HB HIS 27 1HB HIS 27 0.867 -4.377 -0.271 198 HD1 HIS 27 1HD HIS 27 2.856 -7.138 -1.973 199 HD2 HIS 27 2HD HIS 27 2.829 -3.010 -1.504 200 HE1 HIS 27 1HE HIS 27 4.617 -6.232 -3.547 201 H GLN 28 H GLN 28 1.489 -3.529 1.891 202 HA GLN 28 HA GLN 28 4.197 -2.655 1.943 203 1HB GLN 28 2HB GLN 28 1.588 -1.540 2.426 204 2HB GLN 28 1HB GLN 28 2.669 -1.088 3.736 205 1HG GLN 28 2HG GLN 28 3.578 -0.775 0.919 206 2HG GLN 28 1HG GLN 28 2.455 0.396 1.604 207 1HE2 GLN 28 1HE2 GLN 28 5.420 0.349 0.810 208 2HE2 GLN 28 2HE2 GLN 28 6.204 1.098 2.155 209 H ALA 29 H ALA 29 2.397 -4.689 3.961 210 HA ALA 29 HA ALA 29 3.622 -4.004 6.452 211 1HB ALA 29 1HB ALA 29 1.735 -6.066 5.489 212 2HB ALA 29 2HB ALA 29 1.640 -5.004 6.894 213 3HB ALA 29 3HB ALA 29 2.662 -6.442 6.942 214 H TYR 30 H TYR 30 3.964 -6.857 4.297 215 HA TYR 30 HA TYR 30 6.741 -7.062 5.195 216 1HB TYR 30 2HB TYR 30 4.590 -9.071 5.608 217 2HB TYR 30 1HB TYR 30 6.199 -9.660 5.211 218 HD1 TYR 30 1HD TYR 30 4.061 -8.393 7.789 219 HD2 TYR 30 2HD TYR 30 8.137 -8.936 6.698 220 HE1 TYR 30 1HE TYR 30 4.717 -8.142 10.145 221 HE2 TYR 30 2HE TYR 30 8.805 -8.688 9.052 222 HH TYR 30 HH TYR 30 7.464 -9.107 11.402 223 H TYR 31 H TYR 31 4.950 -6.645 2.575 224 HA TYR 31 HA TYR 31 6.218 -8.709 0.943 225 1HB TYR 31 2HB TYR 31 3.740 -7.513 0.821 226 2HB TYR 31 1HB TYR 31 4.621 -6.722 -0.479 227 HD1 TYR 31 1HD TYR 31 3.280 -9.903 0.752 228 HD2 TYR 31 2HD TYR 31 5.336 -7.971 -2.432 229 HE1 TYR 31 1HE TYR 31 2.881 -11.859 -0.684 230 HE2 TYR 31 2HE TYR 31 4.943 -9.922 -3.878 231 HH TYR 31 HH TYR 31 2.724 -12.271 -3.233 232 H CYS 32 H CYS 32 5.661 -5.242 0.331 233 HA CYS 32 HA CYS 32 7.943 -5.011 -1.326 234 1HB CYS 32 2HB CYS 32 5.727 -3.422 -0.720 235 2HB CYS 32 1HB CYS 32 7.110 -2.480 -0.174 236 H SER 33 H SER 33 9.927 -5.338 -0.541 237 HA SER 33 HA SER 33 11.865 -4.890 0.578 238 1HB SER 33 2HB SER 33 10.432 -2.837 2.257 239 2HB SER 33 1HB SER 33 12.140 -2.899 1.820 240 HG SER 33 HG SER 33 9.929 -2.133 0.262 241 H HIS 34 H HIS 34 12.785 -4.994 2.860 242 HA HIS 34 HA HIS 34 11.161 -6.898 4.394 243 1HB HIS 34 2HB HIS 34 14.083 -6.542 3.953 244 2HB HIS 34 1HB HIS 34 13.571 -7.179 5.512 245 HD1 HIS 34 1HD HIS 34 12.795 -7.939 1.856 246 HD2 HIS 34 2HD HIS 34 13.445 -9.870 5.478 247 HE1 HIS 34 1HE HIS 34 12.665 -10.398 1.341 248 HE2 HIS 34 2HE HIS 34 12.966 -11.543 3.565 249 H ARG 35 H ARG 35 9.915 -5.399 5.544 250 HA ARG 35 HA ARG 35 11.033 -3.246 7.017 251 1HB ARG 35 2HB ARG 35 8.399 -4.450 6.638 252 2HB ARG 35 1HB ARG 35 8.643 -3.857 8.274 253 1HG ARG 35 2HG ARG 35 9.460 -2.030 6.112 254 2HG ARG 35 1HG ARG 35 7.729 -2.346 6.255 255 1HD ARG 35 2HD ARG 35 8.128 -1.882 8.783 256 2HD ARG 35 1HD ARG 35 9.598 -1.086 8.221 257 HE ARG 35 HE ARG 35 8.319 0.631 7.410 258 1HH1 ARG 35 1HH1 ARG 35 6.250 -2.094 8.096 259 2HH1 ARG 35 2HH1 ARG 35 4.785 -1.206 7.838 260 1HH2 ARG 35 1HH2 ARG 35 6.393 1.800 7.069 261 2HH2 ARG 35 2HH2 ARG 35 4.866 1.003 7.254 262 H ILE 36 H ILE 36 10.781 -3.073 9.434 263 HA ILE 36 HA ILE 36 10.895 -5.480 10.986 264 HB ILE 36 HB ILE 36 13.167 -5.499 10.065 265 1HG1 ILE 36 2HG1 ILE 36 13.698 -4.662 12.854 266 2HG1 ILE 36 1HG1 ILE 36 12.457 -5.893 12.649 267 1HG2 ILE 36 1HG2 ILE 36 14.566 -3.493 11.262 268 2HG2 ILE 36 2HG2 ILE 36 13.066 -2.673 10.828 269 3HG2 ILE 36 3HG2 ILE 36 14.019 -3.484 9.585 270 1HD1 ILE 36 1HD1 ILE 36 13.974 -7.463 12.292 271 2HD1 ILE 36 2HD1 ILE 36 15.194 -6.285 12.776 272 3HD1 ILE 36 3HD1 ILE 36 14.794 -6.491 11.070 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -8.010 10.682 0.612 2 2H GLY 1 2HT GLY 1 -9.523 10.627 1.368 3 3H GLY 1 3HT GLY 1 -8.199 11.299 2.177 4 1HA GLY 1 1HA GLY 1 -9.290 12.404 -0.347 5 2HA GLY 1 2HA GLY 1 -9.812 12.948 1.241 6 H SER 2 H SER 2 -7.229 12.930 -1.088 7 HA SER 2 HA SER 2 -5.455 14.320 -1.401 8 1HB SER 2 2HB SER 2 -7.260 15.871 0.295 9 2HB SER 2 1HB SER 2 -5.567 16.312 0.524 10 HG SER 2 HG SER 2 -7.181 16.965 -1.481 11 H LEU 3 H LEU 3 -5.923 14.597 2.123 12 HA LEU 3 HA LEU 3 -3.395 13.154 2.510 13 1HB LEU 3 2HB LEU 3 -2.805 14.790 4.302 14 2HB LEU 3 1HB LEU 3 -2.752 15.438 2.674 15 HG LEU 3 HG LEU 3 -5.313 15.830 4.077 16 1HD1 LEU 3 1HD1 LEU 3 -3.177 17.710 4.895 17 2HD1 LEU 3 2HD1 LEU 3 -3.255 16.156 5.725 18 3HD1 LEU 3 3HD1 LEU 3 -4.653 17.232 5.734 19 1HD2 LEU 3 1HD2 LEU 3 -4.140 16.804 1.824 20 2HD2 LEU 3 2HD2 LEU 3 -3.817 18.097 2.979 21 3HD2 LEU 3 3HD2 LEU 3 -5.475 17.577 2.680 22 H LEU 4 H LEU 4 -3.127 13.004 5.110 23 HA LEU 4 HA LEU 4 -3.860 12.033 7.031 24 1HB LEU 4 2HB LEU 4 -5.953 13.789 6.255 25 2HB LEU 4 1HB LEU 4 -6.696 12.310 6.830 26 HG LEU 4 HG LEU 4 -6.509 13.875 8.654 27 1HD1 LEU 4 1HD1 LEU 4 -5.782 11.295 8.781 28 2HD1 LEU 4 2HD1 LEU 4 -5.841 12.359 10.186 29 3HD1 LEU 4 3HD1 LEU 4 -4.305 12.052 9.376 30 1HD2 LEU 4 1HD2 LEU 4 -4.310 14.837 7.451 31 2HD2 LEU 4 2HD2 LEU 4 -3.558 13.843 8.699 32 3HD2 LEU 4 3HD2 LEU 4 -4.690 15.119 9.150 33 H LYS 5 H LYS 5 -6.730 11.438 5.022 34 HA LYS 5 HA LYS 5 -6.385 8.572 5.492 35 1HB LYS 5 2HB LYS 5 -8.748 10.012 4.278 36 2HB LYS 5 1HB LYS 5 -8.697 8.338 4.813 37 1HG LYS 5 2HG LYS 5 -8.230 9.218 7.129 38 2HG LYS 5 1HG LYS 5 -8.620 10.821 6.500 39 1HD LYS 5 2HD LYS 5 -10.711 10.280 7.155 40 2HD LYS 5 1HD LYS 5 -10.751 9.417 5.616 41 1HE LYS 5 2HE LYS 5 -9.791 8.109 8.142 42 2HE LYS 5 1HE LYS 5 -11.501 8.156 7.714 43 1HZ LYS 5 1HZ LYS 5 -9.304 6.902 6.164 44 2HZ LYS 5 2HZ LYS 5 -10.878 7.091 5.576 45 3HZ LYS 5 3HZ LYS 5 -10.593 6.119 6.930 46 HA PRO 6 HA PRO 6 -5.029 7.821 1.355 47 1HB PRO 6 2HB PRO 6 -5.804 5.246 1.040 48 2HB PRO 6 1HB PRO 6 -4.454 5.713 2.080 49 1HG PRO 6 2HG PRO 6 -7.280 5.063 2.824 50 2HG PRO 6 1HG PRO 6 -5.772 4.567 3.615 51 1HD PRO 6 2HD PRO 6 -7.311 6.603 4.534 52 2HD PRO 6 1HD PRO 6 -5.547 6.571 4.725 53 H ALA 7 H ALA 7 -6.051 6.362 -0.623 54 HA ALA 7 HA ALA 7 -8.847 6.565 -1.014 55 1HB ALA 7 1HB ALA 7 -8.717 8.339 -2.824 56 2HB ALA 7 2HB ALA 7 -7.148 8.773 -2.145 57 3HB ALA 7 3HB ALA 7 -8.604 8.905 -1.157 58 H ARG 8 H ARG 8 -5.687 6.641 -2.620 59 HA ARG 8 HA ARG 8 -6.733 4.931 -4.753 60 1HB ARG 8 2HB ARG 8 -5.116 7.085 -4.924 61 2HB ARG 8 1HB ARG 8 -3.907 5.813 -4.810 62 1HG ARG 8 2HG ARG 8 -4.791 4.720 -6.755 63 2HG ARG 8 1HG ARG 8 -6.142 5.853 -6.825 64 1HD ARG 8 2HD ARG 8 -4.671 6.683 -8.420 65 2HD ARG 8 1HD ARG 8 -4.325 7.670 -7.002 66 HE ARG 8 HE ARG 8 -2.651 5.349 -7.205 67 1HH1 ARG 8 1HH1 ARG 8 -3.067 8.657 -8.235 68 2HH1 ARG 8 2HH1 ARG 8 -1.382 8.903 -8.547 69 1HH2 ARG 8 1HH2 ARG 8 -0.435 5.670 -7.615 70 2HH2 ARG 8 2HH2 ARG 8 0.114 7.207 -8.196 71 H PHE 9 H PHE 9 -5.761 2.952 -5.295 72 HA PHE 9 HA PHE 9 -4.018 1.803 -3.216 73 1HB PHE 9 2HB PHE 9 -5.221 -0.400 -3.791 74 2HB PHE 9 1HB PHE 9 -6.082 0.768 -2.795 75 HD1 PHE 9 1HD PHE 9 -7.962 2.024 -3.694 76 HD2 PHE 9 2HD PHE 9 -5.940 -0.905 -6.025 77 HE1 PHE 9 1HE PHE 9 -9.840 1.999 -5.283 78 HE2 PHE 9 2HE PHE 9 -7.813 -0.935 -7.621 79 HZ PHE 9 HZ PHE 9 -9.766 0.519 -7.251 80 H MET 10 H MET 10 -2.138 2.055 -4.395 81 HA MET 10 HA MET 10 -1.630 0.049 -6.375 82 1HB MET 10 2HB MET 10 -1.870 2.933 -7.171 83 2HB MET 10 1HB MET 10 -0.748 1.874 -8.014 84 1HG MET 10 2HG MET 10 -2.784 0.321 -8.306 85 2HG MET 10 1HG MET 10 -3.732 1.752 -7.902 86 1HE MET 10 1HE MET 10 -4.998 2.203 -9.618 87 2HE MET 10 2HE MET 10 -4.582 2.574 -11.291 88 3HE MET 10 3HE MET 10 -4.247 3.747 -10.018 89 H CYS 11 H CYS 11 0.334 -0.676 -5.916 90 HA CYS 11 HA CYS 11 2.180 1.009 -4.427 91 1HB CYS 11 2HB CYS 11 1.593 -1.512 -3.983 92 2HB CYS 11 1HB CYS 11 2.803 -1.808 -5.227 93 H LEU 12 H LEU 12 2.856 2.455 -6.003 94 HA LEU 12 HA LEU 12 3.832 1.734 -8.545 95 1HB LEU 12 2HB LEU 12 4.823 4.166 -7.122 96 2HB LEU 12 1HB LEU 12 4.424 3.957 -8.815 97 HG LEU 12 HG LEU 12 2.013 3.563 -7.430 98 1HD1 LEU 12 1HD1 LEU 12 2.887 6.231 -6.557 99 2HD1 LEU 12 2HD1 LEU 12 3.568 4.874 -5.660 100 3HD1 LEU 12 3HD1 LEU 12 1.819 5.069 -5.771 101 1HD2 LEU 12 1HD2 LEU 12 3.194 5.558 -9.269 102 2HD2 LEU 12 2HD2 LEU 12 1.720 6.023 -8.419 103 3HD2 LEU 12 3HD2 LEU 12 1.734 4.582 -9.435 104 HA PRO 13 HA PRO 13 8.215 2.358 -6.078 105 1HB PRO 13 2HB PRO 13 7.148 0.458 -4.015 106 2HB PRO 13 1HB PRO 13 8.430 1.669 -3.866 107 1HG PRO 13 2HG PRO 13 5.981 2.179 -2.958 108 2HG PRO 13 1HG PRO 13 6.931 3.438 -3.769 109 1HD PRO 13 2HD PRO 13 4.567 1.940 -4.736 110 2HD PRO 13 1HD PRO 13 5.148 3.553 -5.197 111 H CYS 14 H CYS 14 6.167 -0.555 -6.180 112 HA CYS 14 HA CYS 14 8.426 -2.013 -7.345 113 1HB CYS 14 2HB CYS 14 7.403 -4.031 -6.495 114 2HB CYS 14 1HB CYS 14 7.628 -2.900 -5.176 115 H GLY 15 H GLY 15 5.066 -1.108 -7.619 116 1HA GLY 15 2HA GLY 15 3.925 -0.845 -9.635 117 2HA GLY 15 1HA GLY 15 5.123 -1.865 -10.397 118 H ILE 16 H ILE 16 2.498 -2.014 -8.016 119 HA ILE 16 HA ILE 16 1.414 -4.353 -9.339 120 HB ILE 16 HB ILE 16 2.070 -4.548 -6.400 121 1HG1 ILE 16 2HG1 ILE 16 3.518 -5.777 -8.758 122 2HG1 ILE 16 1HG1 ILE 16 4.157 -4.543 -7.679 123 1HG2 ILE 16 1HG2 ILE 16 1.348 -6.777 -8.273 124 2HG2 ILE 16 2HG2 ILE 16 0.115 -5.818 -7.454 125 3HG2 ILE 16 3HG2 ILE 16 1.282 -6.745 -6.511 126 1HD1 ILE 16 1HD1 ILE 16 4.552 -7.228 -7.433 127 2HD1 ILE 16 2HD1 ILE 16 3.239 -6.934 -6.293 128 3HD1 ILE 16 3HD1 ILE 16 4.752 -6.041 -6.144 129 H ALA 17 H ALA 17 -0.584 -3.588 -9.660 130 HA ALA 17 HA ALA 17 -1.902 -1.947 -7.672 131 1HB ALA 17 1HB ALA 17 -2.003 -1.864 -10.330 132 2HB ALA 17 2HB ALA 17 -3.340 -1.322 -9.316 133 3HB ALA 17 3HB ALA 17 -3.381 -2.927 -10.045 134 H PHE 18 H PHE 18 -2.887 -2.856 -5.992 135 HA PHE 18 HA PHE 18 -3.845 -5.584 -6.135 136 1HB PHE 18 2HB PHE 18 -3.234 -3.611 -4.015 137 2HB PHE 18 1HB PHE 18 -4.480 -4.790 -3.651 138 HD1 PHE 18 1HD PHE 18 -3.876 -7.272 -4.011 139 HD2 PHE 18 2HD PHE 18 -1.002 -4.142 -3.760 140 HE1 PHE 18 1HE PHE 18 -2.132 -8.921 -3.469 141 HE2 PHE 18 2HE PHE 18 0.746 -5.786 -3.220 142 HZ PHE 18 HZ PHE 18 0.184 -8.177 -3.074 143 H SER 19 H SER 19 -6.000 -6.180 -5.503 144 HA SER 19 HA SER 19 -7.975 -4.363 -6.581 145 1HB SER 19 2HB SER 19 -7.913 -7.255 -5.854 146 2HB SER 19 1HB SER 19 -9.477 -6.447 -5.944 147 HG SER 19 HG SER 19 -9.211 -7.013 -7.986 148 H SER 20 H SER 20 -6.676 -4.151 -3.721 149 HA SER 20 HA SER 20 -9.017 -3.084 -2.508 150 1HB SER 20 2HB SER 20 -8.031 -5.762 -1.663 151 2HB SER 20 1HB SER 20 -8.579 -4.654 -0.405 152 HG SER 20 HG SER 20 -10.519 -4.428 -1.806 153 HA PRO 21 HA PRO 21 -5.984 -0.732 -0.327 154 1HB PRO 21 2HB PRO 21 -7.369 0.130 1.808 155 2HB PRO 21 1HB PRO 21 -7.752 0.674 0.169 156 1HG PRO 21 2HG PRO 21 -9.099 -1.416 1.836 157 2HG PRO 21 1HG PRO 21 -9.823 -0.166 0.809 158 1HD PRO 21 2HD PRO 21 -9.514 -2.775 0.039 159 2HD PRO 21 1HD PRO 21 -9.565 -1.413 -1.097 160 H SER 22 H SER 22 -7.822 -2.935 1.789 161 HA SER 22 HA SER 22 -5.980 -3.022 3.900 162 1HB SER 22 2HB SER 22 -8.044 -5.005 2.936 163 2HB SER 22 1HB SER 22 -7.062 -5.291 4.373 164 HG SER 22 HG SER 22 -7.881 -3.204 5.119 165 H THR 23 H THR 23 -6.084 -4.683 0.830 166 HA THR 23 HA THR 23 -4.172 -6.680 1.415 167 HB THR 23 HB THR 23 -4.450 -5.525 -1.335 168 HG1 THR 23 1HG THR 23 -6.401 -7.120 -0.035 169 1HG2 THR 23 1HG2 THR 23 -4.406 -7.837 -2.036 170 2HG2 THR 23 2HG2 THR 23 -4.378 -8.368 -0.355 171 3HG2 THR 23 3HG2 THR 23 -3.010 -7.476 -1.021 172 H LEU 24 H LEU 24 -3.945 -3.354 0.351 173 HA LEU 24 HA LEU 24 -1.243 -3.319 -0.382 174 1HB LEU 24 2HB LEU 24 -2.505 -0.979 0.984 175 2HB LEU 24 1HB LEU 24 -1.402 -1.005 -0.371 176 HG LEU 24 HG LEU 24 -4.322 -1.726 -0.449 177 1HD1 LEU 24 1HD1 LEU 24 -3.064 0.498 -1.982 178 2HD1 LEU 24 2HD1 LEU 24 -3.461 0.738 -0.281 179 3HD1 LEU 24 3HD1 LEU 24 -4.728 0.310 -1.430 180 1HD2 LEU 24 1HD2 LEU 24 -3.555 -3.056 -2.126 181 2HD2 LEU 24 2HD2 LEU 24 -2.107 -2.084 -2.384 182 3HD2 LEU 24 3HD2 LEU 24 -3.661 -1.536 -3.013 183 H GLU 25 H GLU 25 -2.876 -2.768 2.676 184 HA GLU 25 HA GLU 25 -0.583 -2.144 4.186 185 1HB GLU 25 2HB GLU 25 -3.213 -2.067 4.710 186 2HB GLU 25 1HB GLU 25 -2.826 -3.584 5.509 187 1HG GLU 25 2HG GLU 25 -0.858 -1.717 6.281 188 2HG GLU 25 1HG GLU 25 -2.420 -0.911 6.412 189 H ALA 26 H ALA 26 -1.998 -5.138 3.163 190 HA ALA 26 HA ALA 26 -0.473 -6.788 4.885 191 1HB ALA 26 1HB ALA 26 -2.728 -7.250 3.567 192 2HB ALA 26 2HB ALA 26 -1.625 -8.551 4.013 193 3HB ALA 26 3HB ALA 26 -1.596 -7.892 2.378 194 H HIS 27 H HIS 27 -0.204 -5.517 1.673 195 HA HIS 27 HA HIS 27 2.062 -7.077 0.883 196 1HB HIS 27 2HB HIS 27 0.596 -6.198 -0.815 197 2HB HIS 27 1HB HIS 27 0.777 -4.564 -0.203 198 HD1 HIS 27 1HD HIS 27 2.814 -7.223 -2.006 199 HD2 HIS 27 2HD HIS 27 2.754 -3.127 -1.323 200 HE1 HIS 27 1HE HIS 27 4.591 -6.225 -3.508 201 H GLN 28 H GLN 28 1.536 -3.750 1.921 202 HA GLN 28 HA GLN 28 4.280 -3.025 1.983 203 1HB GLN 28 2HB GLN 28 1.737 -1.788 2.521 204 2HB GLN 28 1HB GLN 28 2.856 -1.417 3.824 205 1HG GLN 28 2HG GLN 28 3.844 -1.115 1.052 206 2HG GLN 28 1HG GLN 28 2.663 0.059 1.631 207 1HE2 GLN 28 1HE2 GLN 28 5.905 -1.058 1.813 208 2HE2 GLN 28 2HE2 GLN 28 6.499 0.161 2.884 209 H ALA 29 H ALA 29 2.357 -4.957 4.010 210 HA ALA 29 HA ALA 29 3.652 -4.401 6.490 211 1HB ALA 29 1HB ALA 29 1.736 -6.469 5.520 212 2HB ALA 29 2HB ALA 29 1.552 -5.276 6.806 213 3HB ALA 29 3HB ALA 29 2.561 -6.700 7.061 214 H TYR 30 H TYR 30 3.844 -7.216 4.269 215 HA TYR 30 HA TYR 30 6.600 -7.599 5.193 216 1HB TYR 30 2HB TYR 30 4.339 -9.507 5.461 217 2HB TYR 30 1HB TYR 30 5.913 -10.168 5.036 218 HD1 TYR 30 1HD TYR 30 3.882 -8.719 7.661 219 HD2 TYR 30 2HD TYR 30 7.835 -9.867 6.587 220 HE1 TYR 30 1HE TYR 30 4.537 -8.654 10.030 221 HE2 TYR 30 2HE TYR 30 8.502 -9.806 8.954 222 HH TYR 30 HH TYR 30 7.565 -8.483 11.097 223 H TYR 31 H TYR 31 4.809 -7.028 2.554 224 HA TYR 31 HA TYR 31 6.111 -9.016 0.852 225 1HB TYR 31 2HB TYR 31 3.647 -7.667 0.741 226 2HB TYR 31 1HB TYR 31 4.586 -7.072 -0.620 227 HD1 TYR 31 1HD TYR 31 2.825 -9.915 0.803 228 HD2 TYR 31 2HD TYR 31 5.366 -8.641 -2.364 229 HE1 TYR 31 1HE TYR 31 2.271 -11.954 -0.454 230 HE2 TYR 31 2HE TYR 31 4.817 -10.677 -3.630 231 HH TYR 31 HH TYR 31 2.261 -12.756 -2.751 232 H CYS 32 H CYS 32 5.510 -5.555 0.272 233 HA CYS 32 HA CYS 32 7.721 -5.183 -1.378 234 1HB CYS 32 2HB CYS 32 5.618 -3.613 -0.505 235 2HB CYS 32 1HB CYS 32 7.028 -2.795 0.158 236 H SER 33 H SER 33 9.811 -5.271 -0.957 237 HA SER 33 HA SER 33 11.772 -5.415 0.210 238 1HB SER 33 2HB SER 33 10.787 -2.906 1.572 239 2HB SER 33 1HB SER 33 12.454 -3.362 1.223 240 HG SER 33 HG SER 33 12.117 -2.175 -0.490 241 H HIS 34 H HIS 34 12.587 -4.684 2.719 242 HA HIS 34 HA HIS 34 10.884 -6.323 4.479 243 1HB HIS 34 2HB HIS 34 13.904 -6.147 4.497 244 2HB HIS 34 1HB HIS 34 12.921 -7.125 5.581 245 HD1 HIS 34 1HD HIS 34 14.624 -7.218 2.363 246 HD2 HIS 34 2HD HIS 34 11.501 -9.267 4.184 247 HE1 HIS 34 1HE HIS 34 14.324 -9.320 1.018 248 HE2 HIS 34 2HE HIS 34 12.490 -10.587 2.193 249 H ARG 35 H ARG 35 9.836 -4.507 5.340 250 HA ARG 35 HA ARG 35 11.357 -2.370 6.535 251 1HB ARG 35 2HB ARG 35 9.211 -1.846 5.556 252 2HB ARG 35 1HB ARG 35 8.408 -3.032 6.577 253 1HG ARG 35 2HG ARG 35 8.262 -1.621 8.305 254 2HG ARG 35 1HG ARG 35 9.897 -1.003 8.066 255 1HD ARG 35 2HD ARG 35 9.202 0.590 6.520 256 2HD ARG 35 1HD ARG 35 7.693 -0.257 6.182 257 HE ARG 35 HE ARG 35 8.188 1.631 8.293 258 1HH1 ARG 35 1HH1 ARG 35 6.194 -1.034 7.246 259 2HH1 ARG 35 2HH1 ARG 35 4.857 -0.592 8.253 260 1HH2 ARG 35 1HH2 ARG 35 6.431 2.215 9.617 261 2HH2 ARG 35 2HH2 ARG 35 4.991 1.252 9.599 262 H ILE 36 H ILE 36 11.851 -2.081 8.647 263 HA ILE 36 HA ILE 36 10.897 -4.097 10.569 264 HB ILE 36 HB ILE 36 13.198 -4.648 9.912 265 1HG1 ILE 36 2HG1 ILE 36 13.636 -3.583 12.635 266 2HG1 ILE 36 1HG1 ILE 36 12.190 -4.568 12.430 267 1HG2 ILE 36 1HG2 ILE 36 14.361 -2.289 11.238 268 2HG2 ILE 36 2HG2 ILE 36 13.615 -1.999 9.666 269 3HG2 ILE 36 3HG2 ILE 36 14.911 -3.187 9.822 270 1HD1 ILE 36 1HD1 ILE 36 13.389 -6.424 12.462 271 2HD1 ILE 36 2HD1 ILE 36 14.800 -5.444 12.860 272 3HD1 ILE 36 3HD1 ILE 36 14.442 -5.830 11.177 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -10.554 13.249 -0.964 2 2H GLY 1 2HT GLY 1 -11.230 13.072 0.576 3 3H GLY 1 3HT GLY 1 -11.690 12.029 -0.673 4 1HA GLY 1 1HA GLY 1 -9.865 11.414 1.168 5 2HA GLY 1 2HA GLY 1 -9.920 10.704 -0.439 6 H SER 2 H SER 2 -8.245 12.845 1.695 7 HA SER 2 HA SER 2 -5.821 12.620 0.274 8 1HB SER 2 2HB SER 2 -6.974 14.211 -1.253 9 2HB SER 2 1HB SER 2 -7.127 15.346 0.088 10 HG SER 2 HG SER 2 -5.288 15.761 -1.237 11 H LEU 3 H LEU 3 -4.079 13.331 1.473 12 HA LEU 3 HA LEU 3 -2.914 13.950 3.323 13 1HB LEU 3 2HB LEU 3 -3.684 16.182 2.856 14 2HB LEU 3 1HB LEU 3 -5.235 15.854 3.604 15 HG LEU 3 HG LEU 3 -4.107 15.627 5.797 16 1HD1 LEU 3 1HD1 LEU 3 -1.833 15.213 4.395 17 2HD1 LEU 3 2HD1 LEU 3 -1.881 15.692 6.091 18 3HD1 LEU 3 3HD1 LEU 3 -1.643 16.910 4.837 19 1HD2 LEU 3 1HD2 LEU 3 -3.417 18.243 4.476 20 2HD2 LEU 3 2HD2 LEU 3 -3.811 17.954 6.170 21 3HD2 LEU 3 3HD2 LEU 3 -5.058 17.787 4.935 22 H LEU 4 H LEU 4 -2.656 12.731 5.062 23 HA LEU 4 HA LEU 4 -3.063 11.558 6.969 24 1HB LEU 4 2HB LEU 4 -4.881 13.733 7.075 25 2HB LEU 4 1HB LEU 4 -5.754 12.305 7.597 26 HG LEU 4 HG LEU 4 -4.717 13.580 9.458 27 1HD1 LEU 4 1HD1 LEU 4 -4.214 10.728 8.885 28 2HD1 LEU 4 2HD1 LEU 4 -5.082 11.485 10.221 29 3HD1 LEU 4 3HD1 LEU 4 -3.318 11.432 10.232 30 1HD2 LEU 4 1HD2 LEU 4 -2.586 13.896 7.843 31 2HD2 LEU 4 2HD2 LEU 4 -2.037 12.535 8.821 32 3HD2 LEU 4 3HD2 LEU 4 -2.514 14.044 9.599 33 H LYS 5 H LYS 5 -6.343 11.825 5.599 34 HA LYS 5 HA LYS 5 -6.803 9.019 5.930 35 1HB LYS 5 2HB LYS 5 -8.362 11.372 5.263 36 2HB LYS 5 1HB LYS 5 -8.788 10.014 4.232 37 1HG LYS 5 2HG LYS 5 -8.607 9.645 7.189 38 2HG LYS 5 1HG LYS 5 -10.042 10.376 6.466 39 1HD LYS 5 2HD LYS 5 -9.519 8.138 4.894 40 2HD LYS 5 1HD LYS 5 -9.219 7.601 6.548 41 1HE LYS 5 2HE LYS 5 -11.399 8.059 7.223 42 2HE LYS 5 1HE LYS 5 -11.692 9.148 5.868 43 1HZ LYS 5 1HZ LYS 5 -12.771 7.368 5.058 44 2HZ LYS 5 2HZ LYS 5 -11.911 6.258 6.000 45 3HZ LYS 5 3HZ LYS 5 -11.226 6.869 4.579 46 HA PRO 6 HA PRO 6 -5.138 7.779 1.996 47 1HB PRO 6 2HB PRO 6 -6.079 5.252 1.925 48 2HB PRO 6 1HB PRO 6 -4.771 5.739 3.009 49 1HG PRO 6 2HG PRO 6 -7.683 5.378 3.599 50 2HG PRO 6 1HG PRO 6 -6.277 4.869 4.552 51 1HD PRO 6 2HD PRO 6 -7.718 7.110 5.108 52 2HD PRO 6 1HD PRO 6 -5.988 6.956 5.471 53 H ALA 7 H ALA 7 -5.798 7.434 -0.134 54 HA ALA 7 HA ALA 7 -8.578 6.998 -0.768 55 1HB ALA 7 1HB ALA 7 -9.211 9.057 -1.435 56 2HB ALA 7 2HB ALA 7 -7.600 9.486 -2.011 57 3HB ALA 7 3HB ALA 7 -7.976 9.581 -0.290 58 H ARG 8 H ARG 8 -6.072 5.679 -1.313 59 HA ARG 8 HA ARG 8 -6.343 5.458 -4.184 60 1HB ARG 8 2HB ARG 8 -4.338 7.118 -3.156 61 2HB ARG 8 1HB ARG 8 -3.513 5.625 -3.583 62 1HG ARG 8 2HG ARG 8 -5.198 6.166 -5.738 63 2HG ARG 8 1HG ARG 8 -4.509 7.724 -5.280 64 1HD ARG 8 2HD ARG 8 -2.283 6.887 -5.511 65 2HD ARG 8 1HD ARG 8 -2.867 5.236 -5.711 66 HE ARG 8 HE ARG 8 -3.287 5.683 -7.919 67 1HH1 ARG 8 1HH1 ARG 8 -2.769 8.693 -6.229 68 2HH1 ARG 8 2HH1 ARG 8 -2.729 9.643 -7.676 69 1HH2 ARG 8 1HH2 ARG 8 -3.235 6.931 -9.823 70 2HH2 ARG 8 2HH2 ARG 8 -2.994 8.643 -9.717 71 H PHE 9 H PHE 9 -5.009 3.641 -5.048 72 HA PHE 9 HA PHE 9 -4.012 1.724 -3.129 73 1HB PHE 9 2HB PHE 9 -5.610 -0.044 -4.259 74 2HB PHE 9 1HB PHE 9 -6.153 0.907 -2.882 75 HD1 PHE 9 1HD PHE 9 -7.839 2.601 -3.127 76 HD2 PHE 9 2HD PHE 9 -6.446 0.409 -6.499 77 HE1 PHE 9 1HE PHE 9 -9.750 3.419 -4.444 78 HE2 PHE 9 2HE PHE 9 -8.354 1.225 -7.822 79 HZ PHE 9 HZ PHE 9 -10.008 2.731 -6.795 80 H MET 10 H MET 10 -2.103 2.135 -4.373 81 HA MET 10 HA MET 10 -1.749 0.266 -6.500 82 1HB MET 10 2HB MET 10 -2.744 2.630 -7.383 83 2HB MET 10 1HB MET 10 -1.019 2.966 -7.454 84 1HG MET 10 2HG MET 10 -0.632 1.317 -9.033 85 2HG MET 10 1HG MET 10 -2.126 0.464 -8.652 86 1HE MET 10 1HE MET 10 -0.438 1.854 -11.206 87 2HE MET 10 2HE MET 10 -0.606 3.561 -10.798 88 3HE MET 10 3HE MET 10 -1.477 2.895 -12.179 89 H CYS 11 H CYS 11 0.222 -0.523 -6.242 90 HA CYS 11 HA CYS 11 2.203 1.053 -4.777 91 1HB CYS 11 2HB CYS 11 1.440 -1.498 -4.389 92 2HB CYS 11 1HB CYS 11 2.770 -1.764 -5.510 93 H LEU 12 H LEU 12 2.968 2.415 -6.373 94 HA LEU 12 HA LEU 12 3.811 1.501 -8.934 95 1HB LEU 12 2HB LEU 12 4.852 4.022 -7.716 96 2HB LEU 12 1HB LEU 12 4.419 3.692 -9.381 97 HG LEU 12 HG LEU 12 2.064 3.460 -7.770 98 1HD1 LEU 12 1HD1 LEU 12 2.952 6.257 -7.579 99 2HD1 LEU 12 2HD1 LEU 12 3.738 5.133 -6.472 100 3HD1 LEU 12 3HD1 LEU 12 1.982 5.291 -6.468 101 1HD2 LEU 12 1HD2 LEU 12 3.011 5.281 -9.962 102 2HD2 LEU 12 2HD2 LEU 12 1.413 5.440 -9.234 103 3HD2 LEU 12 3HD2 LEU 12 1.863 3.946 -10.056 104 HA PRO 13 HA PRO 13 8.243 2.254 -6.602 105 1HB PRO 13 2HB PRO 13 7.199 0.544 -4.368 106 2HB PRO 13 1HB PRO 13 8.492 1.751 -4.344 107 1HG PRO 13 2HG PRO 13 6.067 2.357 -3.433 108 2HG PRO 13 1HG PRO 13 7.010 3.537 -4.363 109 1HD PRO 13 2HD PRO 13 4.618 1.982 -5.158 110 2HD PRO 13 1HD PRO 13 5.196 3.550 -5.755 111 H CYS 14 H CYS 14 6.122 -0.590 -6.518 112 HA CYS 14 HA CYS 14 8.347 -2.204 -7.531 113 1HB CYS 14 2HB CYS 14 7.235 -4.123 -6.561 114 2HB CYS 14 1HB CYS 14 7.486 -2.911 -5.321 115 H GLY 15 H GLY 15 5.058 -1.152 -7.966 116 1HA GLY 15 2HA GLY 15 3.934 -1.023 -9.994 117 2HA GLY 15 1HA GLY 15 5.123 -2.112 -10.673 118 H ILE 16 H ILE 16 2.530 -2.109 -8.243 119 HA ILE 16 HA ILE 16 1.371 -4.471 -9.469 120 HB ILE 16 HB ILE 16 2.060 -4.554 -6.535 121 1HG1 ILE 16 2HG1 ILE 16 3.472 -5.898 -8.852 122 2HG1 ILE 16 1HG1 ILE 16 4.133 -4.616 -7.843 123 1HG2 ILE 16 1HG2 ILE 16 0.526 -6.233 -8.382 124 2HG2 ILE 16 2HG2 ILE 16 0.433 -6.094 -6.627 125 3HG2 ILE 16 3HG2 ILE 16 1.668 -7.114 -7.366 126 1HD1 ILE 16 1HD1 ILE 16 4.901 -6.965 -7.344 127 2HD1 ILE 16 2HD1 ILE 16 3.277 -7.263 -6.724 128 3HD1 ILE 16 3HD1 ILE 16 4.294 -6.031 -5.975 129 H ALA 17 H ALA 17 -0.628 -3.713 -9.783 130 HA ALA 17 HA ALA 17 -1.888 -1.952 -7.861 131 1HB ALA 17 1HB ALA 17 -2.448 -2.835 -10.627 132 2HB ALA 17 2HB ALA 17 -2.530 -1.227 -9.910 133 3HB ALA 17 3HB ALA 17 -3.837 -2.381 -9.640 134 H PHE 18 H PHE 18 -2.836 -2.769 -6.111 135 HA PHE 18 HA PHE 18 -3.890 -5.476 -6.136 136 1HB PHE 18 2HB PHE 18 -3.055 -3.510 -4.085 137 2HB PHE 18 1HB PHE 18 -4.329 -4.624 -3.632 138 HD1 PHE 18 1HD PHE 18 -3.845 -7.151 -4.119 139 HD2 PHE 18 2HD PHE 18 -0.859 -4.132 -3.819 140 HE1 PHE 18 1HE PHE 18 -2.154 -8.875 -3.644 141 HE2 PHE 18 2HE PHE 18 0.837 -5.850 -3.345 142 HZ PHE 18 HZ PHE 18 0.192 -8.224 -3.258 143 H SER 19 H SER 19 -6.018 -5.998 -5.852 144 HA SER 19 HA SER 19 -7.939 -3.909 -6.430 145 1HB SER 19 2HB SER 19 -8.630 -6.794 -5.941 146 2HB SER 19 1HB SER 19 -9.445 -5.622 -6.976 147 HG SER 19 HG SER 19 -8.135 -6.123 -8.540 148 H SER 20 H SER 20 -6.656 -3.949 -3.743 149 HA SER 20 HA SER 20 -9.027 -3.521 -2.229 150 1HB SER 20 2HB SER 20 -7.586 -6.081 -1.947 151 2HB SER 20 1HB SER 20 -7.980 -5.264 -0.433 152 HG SER 20 HG SER 20 -10.176 -5.102 -1.360 153 HA PRO 21 HA PRO 21 -6.180 -0.861 -0.132 154 1HB PRO 21 2HB PRO 21 -7.653 -0.176 2.012 155 2HB PRO 21 1HB PRO 21 -8.060 0.375 0.384 156 1HG PRO 21 2HG PRO 21 -9.251 -1.856 1.982 157 2HG PRO 21 1HG PRO 21 -10.061 -0.651 0.965 158 1HD PRO 21 2HD PRO 21 -9.522 -3.209 0.153 159 2HD PRO 21 1HD PRO 21 -9.672 -1.834 -0.957 160 H SER 22 H SER 22 -7.835 -3.220 1.973 161 HA SER 22 HA SER 22 -5.934 -3.182 4.047 162 1HB SER 22 2HB SER 22 -7.631 -5.561 3.263 163 2HB SER 22 1HB SER 22 -6.996 -5.172 4.862 164 HG SER 22 HG SER 22 -8.337 -3.258 4.763 165 H THR 23 H THR 23 -6.105 -4.947 1.025 166 HA THR 23 HA THR 23 -4.075 -6.826 1.554 167 HB THR 23 HB THR 23 -4.557 -5.690 -1.186 168 HG1 THR 23 1HG THR 23 -6.264 -7.472 0.211 169 1HG2 THR 23 1HG2 THR 23 -4.421 -8.071 -1.841 170 2HG2 THR 23 2HG2 THR 23 -4.016 -8.467 -0.171 171 3HG2 THR 23 3HG2 THR 23 -2.938 -7.445 -1.122 172 H LEU 24 H LEU 24 -4.027 -3.506 0.452 173 HA LEU 24 HA LEU 24 -1.360 -3.361 -0.384 174 1HB LEU 24 2HB LEU 24 -2.649 -1.063 1.024 175 2HB LEU 24 1HB LEU 24 -1.618 -1.060 -0.386 176 HG LEU 24 HG LEU 24 -4.506 -1.906 -0.318 177 1HD1 LEU 24 1HD1 LEU 24 -4.584 0.108 -1.954 178 2HD1 LEU 24 2HD1 LEU 24 -3.091 0.589 -1.146 179 3HD1 LEU 24 3HD1 LEU 24 -4.576 0.396 -0.214 180 1HD2 LEU 24 1HD2 LEU 24 -3.720 -3.197 -2.029 181 2HD2 LEU 24 2HD2 LEU 24 -2.381 -2.107 -2.383 182 3HD2 LEU 24 3HD2 LEU 24 -4.015 -1.693 -2.900 183 H GLU 25 H GLU 25 -2.892 -2.858 2.735 184 HA GLU 25 HA GLU 25 -0.550 -2.147 4.142 185 1HB GLU 25 2HB GLU 25 -3.160 -2.104 4.763 186 2HB GLU 25 1HB GLU 25 -2.717 -3.598 5.573 187 1HG GLU 25 2HG GLU 25 -0.794 -1.559 6.169 188 2HG GLU 25 1HG GLU 25 -2.421 -0.972 6.504 189 H ALA 26 H ALA 26 -1.927 -5.178 3.192 190 HA ALA 26 HA ALA 26 -0.334 -6.777 4.898 191 1HB ALA 26 1HB ALA 26 -2.596 -7.271 3.521 192 2HB ALA 26 2HB ALA 26 -1.525 -8.535 4.126 193 3HB ALA 26 3HB ALA 26 -1.403 -8.005 2.449 194 H HIS 27 H HIS 27 -0.162 -5.541 1.663 195 HA HIS 27 HA HIS 27 2.142 -7.036 0.857 196 1HB HIS 27 2HB HIS 27 0.633 -6.217 -0.831 197 2HB HIS 27 1HB HIS 27 0.775 -4.571 -0.238 198 HD1 HIS 27 1HD HIS 27 2.974 -7.201 -1.913 199 HD2 HIS 27 2HD HIS 27 2.603 -3.085 -1.499 200 HE1 HIS 27 1HE HIS 27 4.689 -6.173 -3.462 201 H GLN 28 H GLN 28 1.511 -3.717 1.874 202 HA GLN 28 HA GLN 28 4.216 -2.873 1.880 203 1HB GLN 28 2HB GLN 28 1.618 -1.777 2.575 204 2HB GLN 28 1HB GLN 28 2.850 -1.283 3.729 205 1HG GLN 28 2HG GLN 28 3.946 -0.995 1.143 206 2HG GLN 28 1HG GLN 28 2.333 -0.285 1.119 207 1HE2 GLN 28 1HE2 GLN 28 5.172 0.802 1.125 208 2HE2 GLN 28 2HE2 GLN 28 5.148 2.014 2.357 209 H ALA 29 H ALA 29 2.458 -4.895 3.980 210 HA ALA 29 HA ALA 29 3.963 -4.238 6.356 211 1HB ALA 29 1HB ALA 29 1.754 -6.117 5.701 212 2HB ALA 29 2HB ALA 29 1.850 -4.874 6.948 213 3HB ALA 29 3HB ALA 29 2.715 -6.398 7.152 214 H TYR 30 H TYR 30 3.819 -7.027 4.112 215 HA TYR 30 HA TYR 30 6.426 -7.847 5.211 216 1HB TYR 30 2HB TYR 30 3.986 -9.491 4.673 217 2HB TYR 30 1HB TYR 30 5.580 -10.231 4.582 218 HD1 TYR 30 1HD TYR 30 2.904 -9.299 6.726 219 HD2 TYR 30 2HD TYR 30 7.105 -9.961 6.654 220 HE1 TYR 30 1HE TYR 30 2.893 -9.597 9.166 221 HE2 TYR 30 2HE TYR 30 7.106 -10.263 9.094 222 HH TYR 30 HH TYR 30 4.955 -11.052 10.851 223 H TYR 31 H TYR 31 4.786 -6.943 2.400 224 HA TYR 31 HA TYR 31 6.500 -8.569 0.679 225 1HB TYR 31 2HB TYR 31 3.977 -7.088 0.298 226 2HB TYR 31 1HB TYR 31 5.089 -7.037 -1.064 227 HD1 TYR 31 1HD TYR 31 3.026 -9.219 1.059 228 HD2 TYR 31 2HD TYR 31 5.535 -9.006 -2.371 229 HE1 TYR 31 1HE TYR 31 2.257 -11.448 0.366 230 HE2 TYR 31 2HE TYR 31 4.772 -11.236 -3.074 231 HH TYR 31 HH TYR 31 2.102 -12.817 -1.598 232 H CYS 32 H CYS 32 5.500 -5.224 0.065 233 HA CYS 32 HA CYS 32 7.966 -4.511 -1.063 234 1HB CYS 32 2HB CYS 32 5.441 -3.274 -0.645 235 2HB CYS 32 1HB CYS 32 6.675 -2.172 -0.043 236 H SER 33 H SER 33 9.838 -4.458 -0.028 237 HA SER 33 HA SER 33 11.461 -3.778 1.426 238 1HB SER 33 2HB SER 33 9.694 -1.727 1.628 239 2HB SER 33 1HB SER 33 9.670 -2.332 3.284 240 HG SER 33 HG SER 33 12.009 -1.644 1.829 241 H HIS 34 H HIS 34 12.274 -5.272 2.719 242 HA HIS 34 HA HIS 34 10.537 -6.852 4.414 243 1HB HIS 34 2HB HIS 34 13.515 -7.024 3.903 244 2HB HIS 34 1HB HIS 34 12.590 -8.175 4.862 245 HD1 HIS 34 1HD HIS 34 12.577 -6.808 1.308 246 HD2 HIS 34 2HD HIS 34 11.689 -10.277 3.417 247 HE1 HIS 34 1HE HIS 34 11.970 -8.516 -0.433 248 HE2 HIS 34 2HE HIS 34 11.534 -10.634 0.860 249 H ARG 35 H ARG 35 10.269 -4.509 5.485 250 HA ARG 35 HA ARG 35 12.252 -3.686 7.330 251 1HB ARG 35 2HB ARG 35 9.379 -3.062 6.864 252 2HB ARG 35 1HB ARG 35 10.062 -2.632 8.424 253 1HG ARG 35 2HG ARG 35 11.939 -1.536 6.983 254 2HG ARG 35 1HG ARG 35 10.711 -1.575 5.716 255 1HD ARG 35 2HD ARG 35 9.490 -0.610 8.089 256 2HD ARG 35 1HD ARG 35 11.001 0.269 7.863 257 HE ARG 35 HE ARG 35 10.072 1.325 6.062 258 1HH1 ARG 35 1HH1 ARG 35 8.151 -1.489 6.818 259 2HH1 ARG 35 2HH1 ARG 35 6.898 -1.091 5.690 260 1HH2 ARG 35 1HH2 ARG 35 8.425 1.849 4.577 261 2HH2 ARG 35 2HH2 ARG 35 7.054 0.802 4.417 262 H ILE 36 H ILE 36 12.372 -3.961 9.570 263 HA ILE 36 HA ILE 36 11.570 -6.546 10.503 264 HB ILE 36 HB ILE 36 13.713 -5.551 11.174 265 1HG1 ILE 36 2HG1 ILE 36 11.962 -5.855 13.615 266 2HG1 ILE 36 1HG1 ILE 36 12.435 -7.223 12.612 267 1HG2 ILE 36 1HG2 ILE 36 13.957 -3.589 12.297 268 2HG2 ILE 36 2HG2 ILE 36 12.398 -3.728 13.108 269 3HG2 ILE 36 3HG2 ILE 36 12.472 -3.219 11.421 270 1HD1 ILE 36 1HD1 ILE 36 14.000 -7.267 14.297 271 2HD1 ILE 36 2HD1 ILE 36 14.110 -5.509 14.386 272 3HD1 ILE 36 3HD1 ILE 36 14.843 -6.372 13.033 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -11.267 11.518 -0.219 2 2H GLY 1 2HT GLY 1 -10.710 12.923 0.540 3 3H GLY 1 3HT GLY 1 -10.715 11.454 1.379 4 1HA GLY 1 1HA GLY 1 -8.813 10.736 0.464 5 2HA GLY 1 2HA GLY 1 -9.227 11.421 -1.100 6 H SER 2 H SER 2 -7.937 12.992 -1.750 7 HA SER 2 HA SER 2 -6.500 14.750 -1.762 8 1HB SER 2 2HB SER 2 -7.859 15.304 0.881 9 2HB SER 2 1HB SER 2 -6.691 16.399 0.142 10 HG SER 2 HG SER 2 -9.137 16.574 -0.283 11 H LEU 3 H LEU 3 -6.422 14.241 1.747 12 HA LEU 3 HA LEU 3 -3.807 12.973 1.547 13 1HB LEU 3 2HB LEU 3 -2.834 14.562 3.190 14 2HB LEU 3 1HB LEU 3 -3.179 15.276 1.626 15 HG LEU 3 HG LEU 3 -5.484 15.757 3.111 16 1HD1 LEU 3 1HD1 LEU 3 -3.029 15.933 4.818 17 2HD1 LEU 3 2HD1 LEU 3 -4.614 15.267 5.210 18 3HD1 LEU 3 3HD1 LEU 3 -4.399 17.012 5.076 19 1HD2 LEU 3 1HD2 LEU 3 -3.193 17.308 2.070 20 2HD2 LEU 3 2HD2 LEU 3 -4.214 18.108 3.267 21 3HD2 LEU 3 3HD2 LEU 3 -4.921 17.494 1.772 22 H LEU 4 H LEU 4 -2.991 12.733 4.013 23 HA LEU 4 HA LEU 4 -3.296 11.716 6.024 24 1HB LEU 4 2HB LEU 4 -5.398 13.537 5.836 25 2HB LEU 4 1HB LEU 4 -6.168 12.032 6.300 26 HG LEU 4 HG LEU 4 -5.584 13.421 8.241 27 1HD1 LEU 4 1HD1 LEU 4 -5.343 10.755 8.011 28 2HD1 LEU 4 2HD1 LEU 4 -5.096 11.632 9.521 29 3HD1 LEU 4 3HD1 LEU 4 -3.710 11.167 8.535 30 1HD2 LEU 4 1HD2 LEU 4 -3.313 14.041 6.879 31 2HD2 LEU 4 2HD2 LEU 4 -2.711 12.870 8.050 32 3HD2 LEU 4 3HD2 LEU 4 -3.558 14.314 8.603 33 H LYS 5 H LYS 5 -6.484 11.146 4.544 34 HA LYS 5 HA LYS 5 -6.248 8.315 5.089 35 1HB LYS 5 2HB LYS 5 -8.377 10.151 4.752 36 2HB LYS 5 1HB LYS 5 -8.538 8.950 3.477 37 1HG LYS 5 2HG LYS 5 -7.978 7.487 5.784 38 2HG LYS 5 1HG LYS 5 -9.117 8.735 6.289 39 1HD LYS 5 2HD LYS 5 -10.532 8.069 4.302 40 2HD LYS 5 1HD LYS 5 -9.465 6.674 4.120 41 1HE LYS 5 2HE LYS 5 -10.923 5.658 5.491 42 2HE LYS 5 1HE LYS 5 -10.073 6.533 6.763 43 1HZ LYS 5 1HZ LYS 5 -11.857 8.358 5.987 44 2HZ LYS 5 2HZ LYS 5 -12.129 7.258 7.241 45 3HZ LYS 5 3HZ LYS 5 -12.737 6.943 5.695 46 HA PRO 6 HA PRO 6 -4.823 7.054 1.111 47 1HB PRO 6 2HB PRO 6 -5.979 4.613 0.876 48 2HB PRO 6 1HB PRO 6 -4.636 4.932 1.981 49 1HG PRO 6 2HG PRO 6 -7.570 4.776 2.560 50 2HG PRO 6 1HG PRO 6 -6.209 4.105 3.480 51 1HD PRO 6 2HD PRO 6 -7.458 6.404 4.184 52 2HD PRO 6 1HD PRO 6 -5.732 6.122 4.485 53 H ALA 7 H ALA 7 -5.472 7.827 -0.787 54 HA ALA 7 HA ALA 7 -8.322 7.909 -1.420 55 1HB ALA 7 1HB ALA 7 -7.580 9.374 -3.308 56 2HB ALA 7 2HB ALA 7 -5.937 9.245 -2.682 57 3HB ALA 7 3HB ALA 7 -7.198 9.992 -1.702 58 H ARG 8 H ARG 8 -5.278 6.953 -3.011 59 HA ARG 8 HA ARG 8 -6.848 5.162 -4.741 60 1HB ARG 8 2HB ARG 8 -4.948 7.093 -5.414 61 2HB ARG 8 1HB ARG 8 -4.100 5.562 -5.584 62 1HG ARG 8 2HG ARG 8 -5.755 4.755 -7.127 63 2HG ARG 8 1HG ARG 8 -6.747 6.193 -6.870 64 1HD ARG 8 2HD ARG 8 -5.505 6.365 -8.955 65 2HD ARG 8 1HD ARG 8 -4.965 7.585 -7.804 66 HE ARG 8 HE ARG 8 -3.400 5.175 -7.759 67 1HH1 ARG 8 1HH1 ARG 8 -3.817 8.289 -9.276 68 2HH1 ARG 8 2HH1 ARG 8 -2.169 8.398 -9.793 69 1HH2 ARG 8 1HH2 ARG 8 -1.231 5.315 -8.439 70 2HH2 ARG 8 2HH2 ARG 8 -0.700 6.709 -9.319 71 H PHE 9 H PHE 9 -5.487 3.223 -5.512 72 HA PHE 9 HA PHE 9 -3.820 2.168 -3.339 73 1HB PHE 9 2HB PHE 9 -5.061 -0.091 -3.889 74 2HB PHE 9 1HB PHE 9 -5.750 1.054 -2.743 75 HD1 PHE 9 1HD PHE 9 -7.758 2.259 -3.244 76 HD2 PHE 9 2HD PHE 9 -6.018 -0.351 -6.120 77 HE1 PHE 9 1HE PHE 9 -9.828 2.348 -4.570 78 HE2 PHE 9 2HE PHE 9 -8.085 -0.265 -7.452 79 HZ PHE 9 HZ PHE 9 -9.993 1.085 -6.678 80 H MET 10 H MET 10 -1.936 2.191 -4.465 81 HA MET 10 HA MET 10 -1.519 0.135 -6.398 82 1HB MET 10 2HB MET 10 -2.422 2.476 -7.500 83 2HB MET 10 1HB MET 10 -0.679 2.683 -7.598 84 1HG MET 10 2HG MET 10 -1.747 0.080 -8.486 85 2HG MET 10 1HG MET 10 -2.133 1.479 -9.487 86 1HE MET 10 1HE MET 10 -0.263 -0.854 -10.933 87 2HE MET 10 2HE MET 10 0.604 0.426 -11.781 88 3HE MET 10 3HE MET 10 -1.119 0.598 -11.449 89 H CYS 11 H CYS 11 0.427 -0.647 -5.969 90 HA CYS 11 HA CYS 11 2.326 0.963 -4.470 91 1HB CYS 11 2HB CYS 11 1.672 -1.532 -4.042 92 2HB CYS 11 1HB CYS 11 2.838 -1.867 -5.317 93 H LEU 12 H LEU 12 3.049 2.410 -6.022 94 HA LEU 12 HA LEU 12 3.985 1.733 -8.580 95 1HB LEU 12 2HB LEU 12 5.143 4.037 -7.073 96 2HB LEU 12 1HB LEU 12 4.713 3.923 -8.769 97 HG LEU 12 HG LEU 12 2.273 3.647 -7.518 98 1HD1 LEU 12 1HD1 LEU 12 3.319 6.036 -6.159 99 2HD1 LEU 12 2HD1 LEU 12 3.828 4.489 -5.482 100 3HD1 LEU 12 3HD1 LEU 12 2.110 4.864 -5.635 101 1HD2 LEU 12 1HD2 LEU 12 3.730 5.784 -8.947 102 2HD2 LEU 12 2HD2 LEU 12 2.275 6.266 -8.074 103 3HD2 LEU 12 3HD2 LEU 12 2.185 5.017 -9.317 104 HA PRO 13 HA PRO 13 8.417 1.980 -6.130 105 1HB PRO 13 2HB PRO 13 7.246 0.065 -4.138 106 2HB PRO 13 1HB PRO 13 8.602 1.185 -3.951 107 1HG PRO 13 2HG PRO 13 6.197 1.810 -3.001 108 2HG PRO 13 1HG PRO 13 7.218 3.040 -3.768 109 1HD PRO 13 2HD PRO 13 4.760 1.734 -4.773 110 2HD PRO 13 1HD PRO 13 5.436 3.324 -5.172 111 H CYS 14 H CYS 14 6.198 -0.803 -6.319 112 HA CYS 14 HA CYS 14 8.354 -2.336 -7.580 113 1HB CYS 14 2HB CYS 14 7.212 -4.331 -6.795 114 2HB CYS 14 1HB CYS 14 7.573 -3.279 -5.440 115 H GLY 15 H GLY 15 5.068 -1.200 -7.777 116 1HA GLY 15 2HA GLY 15 3.889 -0.830 -9.745 117 2HA GLY 15 1HA GLY 15 5.027 -1.868 -10.571 118 H ILE 16 H ILE 16 2.482 -2.034 -8.102 119 HA ILE 16 HA ILE 16 1.257 -4.257 -9.507 120 HB ILE 16 HB ILE 16 1.970 -4.607 -6.597 121 1HG1 ILE 16 2HG1 ILE 16 3.336 -5.780 -9.033 122 2HG1 ILE 16 1HG1 ILE 16 4.031 -4.597 -7.930 123 1HG2 ILE 16 1HG2 ILE 16 0.687 -6.330 -8.688 124 2HG2 ILE 16 2HG2 ILE 16 0.094 -5.907 -7.081 125 3HG2 ILE 16 3HG2 ILE 16 1.444 -7.028 -7.257 126 1HD1 ILE 16 1HD1 ILE 16 4.841 -6.260 -6.727 127 2HD1 ILE 16 2HD1 ILE 16 4.029 -7.440 -7.756 128 3HD1 ILE 16 3HD1 ILE 16 3.194 -6.767 -6.355 129 H ALA 17 H ALA 17 -0.725 -3.422 -9.732 130 HA ALA 17 HA ALA 17 -1.919 -1.801 -7.651 131 1HB ALA 17 1HB ALA 17 -2.106 -1.690 -10.330 132 2HB ALA 17 2HB ALA 17 -3.324 -1.029 -9.239 133 3HB ALA 17 3HB ALA 17 -3.559 -2.620 -9.961 134 H PHE 18 H PHE 18 -2.852 -2.746 -5.963 135 HA PHE 18 HA PHE 18 -3.940 -5.420 -6.167 136 1HB PHE 18 2HB PHE 18 -3.148 -3.563 -4.004 137 2HB PHE 18 1HB PHE 18 -4.433 -4.696 -3.630 138 HD1 PHE 18 1HD PHE 18 -3.977 -7.014 -3.311 139 HD2 PHE 18 2HD PHE 18 -0.921 -4.379 -4.659 140 HE1 PHE 18 1HE PHE 18 -2.293 -8.760 -2.893 141 HE2 PHE 18 2HE PHE 18 0.769 -6.118 -4.245 142 HZ PHE 18 HZ PHE 18 0.084 -8.311 -3.362 143 H SER 19 H SER 19 -6.084 -5.971 -5.790 144 HA SER 19 HA SER 19 -8.000 -3.912 -6.463 145 1HB SER 19 2HB SER 19 -7.990 -6.881 -6.393 146 2HB SER 19 1HB SER 19 -9.546 -6.078 -6.190 147 HG SER 19 HG SER 19 -9.349 -6.256 -8.340 148 H SER 20 H SER 20 -6.731 -3.993 -3.701 149 HA SER 20 HA SER 20 -9.112 -3.375 -2.278 150 1HB SER 20 2HB SER 20 -7.962 -6.052 -1.989 151 2HB SER 20 1HB SER 20 -8.177 -5.211 -0.454 152 HG SER 20 HG SER 20 -10.227 -5.360 -2.395 153 HA PRO 21 HA PRO 21 -6.201 -0.869 -0.085 154 1HB PRO 21 2HB PRO 21 -8.053 -0.688 2.160 155 2HB PRO 21 1HB PRO 21 -7.595 0.553 0.993 156 1HG PRO 21 2HG PRO 21 -10.065 -0.560 1.057 157 2HG PRO 21 1HG PRO 21 -9.314 0.032 -0.436 158 1HD PRO 21 2HD PRO 21 -9.548 -2.776 0.585 159 2HD PRO 21 1HD PRO 21 -9.757 -2.154 -1.066 160 H SER 22 H SER 22 -7.928 -3.222 1.971 161 HA SER 22 HA SER 22 -6.055 -3.317 4.046 162 1HB SER 22 2HB SER 22 -8.479 -4.466 3.629 163 2HB SER 22 1HB SER 22 -7.422 -5.860 3.400 164 HG SER 22 HG SER 22 -7.654 -4.193 5.675 165 H THR 23 H THR 23 -6.136 -4.926 0.937 166 HA THR 23 HA THR 23 -4.133 -6.842 1.462 167 HB THR 23 HB THR 23 -4.288 -5.775 -1.289 168 HG1 THR 23 1HG THR 23 -6.550 -6.836 0.041 169 1HG2 THR 23 1HG2 THR 23 -4.646 -8.520 -0.112 170 2HG2 THR 23 2HG2 THR 23 -3.215 -7.890 -0.928 171 3HG2 THR 23 3HG2 THR 23 -4.707 -8.141 -1.833 172 H LEU 24 H LEU 24 -4.043 -3.496 0.426 173 HA LEU 24 HA LEU 24 -1.353 -3.350 -0.326 174 1HB LEU 24 2HB LEU 24 -2.674 -1.073 1.087 175 2HB LEU 24 1HB LEU 24 -1.600 -1.047 -0.291 176 HG LEU 24 HG LEU 24 -4.512 -1.796 -0.283 177 1HD1 LEU 24 1HD1 LEU 24 -3.458 0.266 -2.090 178 2HD1 LEU 24 2HD1 LEU 24 -3.406 0.670 -0.374 179 3HD1 LEU 24 3HD1 LEU 24 -4.938 0.240 -1.131 180 1HD2 LEU 24 1HD2 LEU 24 -3.798 -3.230 -1.901 181 2HD2 LEU 24 2HD2 LEU 24 -2.366 -2.272 -2.275 182 3HD2 LEU 24 3HD2 LEU 24 -3.946 -1.761 -2.866 183 H GLU 25 H GLU 25 -2.966 -2.899 2.760 184 HA GLU 25 HA GLU 25 -0.682 -2.211 4.252 185 1HB GLU 25 2HB GLU 25 -3.306 -2.243 4.808 186 2HB GLU 25 1HB GLU 25 -2.849 -3.754 5.580 187 1HG GLU 25 2HG GLU 25 -0.930 -1.905 6.401 188 2HG GLU 25 1HG GLU 25 -2.466 -1.044 6.467 189 H ALA 26 H ALA 26 -1.982 -5.241 3.196 190 HA ALA 26 HA ALA 26 -0.391 -6.855 4.887 191 1HB ALA 26 1HB ALA 26 -2.623 -7.345 3.458 192 2HB ALA 26 2HB ALA 26 -1.548 -8.608 4.059 193 3HB ALA 26 3HB ALA 26 -1.400 -8.042 2.395 194 H HIS 27 H HIS 27 -0.167 -5.529 1.689 195 HA HIS 27 HA HIS 27 2.168 -6.993 0.906 196 1HB HIS 27 2HB HIS 27 0.620 -6.137 -0.773 197 2HB HIS 27 1HB HIS 27 0.868 -4.494 -0.207 198 HD1 HIS 27 1HD HIS 27 2.870 -7.283 -1.865 199 HD2 HIS 27 2HD HIS 27 2.797 -3.148 -1.485 200 HE1 HIS 27 1HE HIS 27 4.641 -6.394 -3.438 201 H GLN 28 H GLN 28 1.497 -3.684 1.953 202 HA GLN 28 HA GLN 28 4.217 -2.870 2.040 203 1HB GLN 28 2HB GLN 28 1.632 -1.714 2.548 204 2HB GLN 28 1HB GLN 28 2.715 -1.323 3.876 205 1HG GLN 28 2HG GLN 28 3.649 -0.947 1.075 206 2HG GLN 28 1HG GLN 28 2.543 0.225 1.786 207 1HE2 GLN 28 1HE2 GLN 28 4.997 1.043 1.002 208 2HE2 GLN 28 2HE2 GLN 28 5.985 1.391 2.376 209 H ALA 29 H ALA 29 2.362 -4.907 4.010 210 HA ALA 29 HA ALA 29 3.590 -4.323 6.519 211 1HB ALA 29 1HB ALA 29 1.677 -6.325 5.486 212 2HB ALA 29 2HB ALA 29 1.589 -5.298 6.918 213 3HB ALA 29 3HB ALA 29 2.586 -6.754 6.936 214 H TYR 30 H TYR 30 3.926 -7.103 4.265 215 HA TYR 30 HA TYR 30 6.683 -7.374 5.201 216 1HB TYR 30 2HB TYR 30 4.500 -9.352 5.566 217 2HB TYR 30 1HB TYR 30 6.091 -9.970 5.141 218 HD1 TYR 30 1HD TYR 30 4.104 -8.283 7.705 219 HD2 TYR 30 2HD TYR 30 7.961 -9.762 6.689 220 HE1 TYR 30 1HE TYR 30 4.786 -8.103 10.060 221 HE2 TYR 30 2HE TYR 30 8.655 -9.588 9.042 222 HH TYR 30 HH TYR 30 7.689 -9.493 11.245 223 H TYR 31 H TYR 31 4.923 -6.908 2.548 224 HA TYR 31 HA TYR 31 6.235 -8.952 0.918 225 1HB TYR 31 2HB TYR 31 3.835 -7.353 0.660 226 2HB TYR 31 1HB TYR 31 4.821 -7.261 -0.792 227 HD1 TYR 31 1HD TYR 31 3.195 -9.655 1.536 228 HD2 TYR 31 2HD TYR 31 4.832 -9.026 -2.340 229 HE1 TYR 31 1HE TYR 31 2.327 -11.842 0.822 230 HE2 TYR 31 2HE TYR 31 3.967 -11.211 -3.066 231 HH TYR 31 HH TYR 31 3.159 -13.580 -1.205 232 H CYS 32 H CYS 32 5.634 -5.530 0.162 233 HA CYS 32 HA CYS 32 7.924 -5.237 -1.410 234 1HB CYS 32 2HB CYS 32 5.750 -3.636 -0.697 235 2HB CYS 32 1HB CYS 32 7.159 -2.742 -0.139 236 H SER 33 H SER 33 10.003 -4.838 -0.988 237 HA SER 33 HA SER 33 11.937 -4.795 0.232 238 1HB SER 33 2HB SER 33 10.438 -2.385 0.661 239 2HB SER 33 1HB SER 33 11.355 -2.765 2.118 240 HG SER 33 HG SER 33 12.268 -2.196 -0.470 241 H HIS 34 H HIS 34 12.570 -4.184 2.826 242 HA HIS 34 HA HIS 34 11.167 -6.292 4.334 243 1HB HIS 34 2HB HIS 34 14.067 -5.502 4.247 244 2HB HIS 34 1HB HIS 34 13.408 -6.371 5.629 245 HD1 HIS 34 1HD HIS 34 14.798 -6.886 2.314 246 HD2 HIS 34 2HD HIS 34 12.263 -8.967 4.865 247 HE1 HIS 34 1HE HIS 34 14.769 -9.249 1.453 248 HE2 HIS 34 2HE HIS 34 13.172 -10.473 2.969 249 H ARG 35 H ARG 35 9.685 -5.007 5.388 250 HA ARG 35 HA ARG 35 10.469 -2.601 6.749 251 1HB ARG 35 2HB ARG 35 7.940 -4.147 6.417 252 2HB ARG 35 1HB ARG 35 8.053 -3.023 7.764 253 1HG ARG 35 2HG ARG 35 8.952 -1.476 5.732 254 2HG ARG 35 1HG ARG 35 7.795 -2.510 4.889 255 1HD ARG 35 2HD ARG 35 6.440 -0.781 5.574 256 2HD ARG 35 1HD ARG 35 6.241 -1.925 6.900 257 HE ARG 35 HE ARG 35 8.351 -0.276 7.595 258 1HH1 ARG 35 1HH1 ARG 35 4.946 0.069 6.912 259 2HH1 ARG 35 2HH1 ARG 35 4.747 1.438 7.954 260 1HH2 ARG 35 1HH2 ARG 35 8.092 1.524 8.966 261 2HH2 ARG 35 2HH2 ARG 35 6.533 2.264 9.120 262 H ILE 36 H ILE 36 10.730 -2.271 8.930 263 HA ILE 36 HA ILE 36 10.539 -4.580 10.719 264 HB ILE 36 HB ILE 36 12.868 -4.536 9.941 265 1HG1 ILE 36 2HG1 ILE 36 13.188 -3.528 12.701 266 2HG1 ILE 36 1HG1 ILE 36 11.997 -4.810 12.499 267 1HG2 ILE 36 1HG2 ILE 36 14.334 -2.686 10.393 268 2HG2 ILE 36 2HG2 ILE 36 13.038 -1.803 11.200 269 3HG2 ILE 36 3HG2 ILE 36 12.952 -2.105 9.465 270 1HD1 ILE 36 1HD1 ILE 36 13.580 -6.348 12.324 271 2HD1 ILE 36 2HD1 ILE 36 14.733 -5.104 12.807 272 3HD1 ILE 36 3HD1 ILE 36 14.441 -5.421 11.097
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