NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
512269 | 2lcy | 17638 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 507 1HT ALA 507 -12.052 -8.204 -0.490 2 H2 ALA 507 2HT ALA 507 -12.158 -9.035 -1.989 3 H3 ALA 507 3HT ALA 507 -10.630 -8.529 -1.391 4 HA ALA 507 HA ALA 507 -12.402 -10.480 -0.086 5 HB1 ALA 507 2HB ALA 507 -10.327 -10.751 -2.169 6 HB2 ALA 507 3HB ALA 507 -11.729 -11.763 -1.820 7 HB3 ALA 507 1HB ALA 507 -10.268 -11.914 -0.844 8 H GLN 508 H GLN 508 -11.715 -8.659 1.587 9 HA GLN 508 HA GLN 508 -9.966 -9.880 3.405 10 HB2 GLN 508 2HB GLN 508 -8.268 -7.899 3.381 11 HB3 GLN 508 1HB GLN 508 -8.061 -9.244 2.272 12 HG2 GLN 508 2HG GLN 508 -9.612 -7.552 0.795 13 HG3 GLN 508 1HG GLN 508 -8.626 -6.430 1.728 14 HE21 GLN 508 1HE2 GLN 508 -8.360 -9.352 -0.252 15 HE22 GLN 508 2HE2 GLN 508 -6.843 -8.939 -0.967 16 HA PRO 509 HA PRO 509 -12.389 -6.848 5.671 17 HB2 PRO 509 2HB PRO 509 -12.792 -8.261 7.820 18 HB3 PRO 509 1HB PRO 509 -13.353 -8.926 6.273 19 HG2 PRO 509 2HG PRO 509 -10.838 -9.536 7.785 20 HG3 PRO 509 1HG PRO 509 -11.996 -10.676 7.073 21 HD2 PRO 509 2HD PRO 509 -9.652 -9.799 5.854 22 HD3 PRO 509 1HD PRO 509 -11.045 -10.489 4.994 23 H LYS 510 H LYS 510 -10.984 -5.167 6.086 24 HA LYS 510 HA LYS 510 -9.759 -5.144 8.701 25 HB2 LYS 510 2HB LYS 510 -8.181 -5.110 6.196 26 HB3 LYS 510 1HB LYS 510 -7.688 -3.992 7.456 27 HG2 LYS 510 2HG LYS 510 -7.166 -5.707 8.939 28 HG3 LYS 510 1HG LYS 510 -8.118 -6.893 8.046 29 HD2 LYS 510 2HD LYS 510 -6.118 -5.826 6.312 30 HD3 LYS 510 1HD LYS 510 -5.352 -6.332 7.819 31 HE2 LYS 510 2HE LYS 510 -5.314 -8.348 6.814 32 HE3 LYS 510 1HE LYS 510 -6.981 -8.433 7.380 33 HZ1 LYS 510 3HZ LYS 510 -6.583 -7.142 4.810 34 HZ2 LYS 510 1HZ LYS 510 -7.788 -8.222 5.306 35 HZ3 LYS 510 2HZ LYS 510 -6.267 -8.803 4.847 36 H CYS 511 H CYS 511 -10.206 -3.408 5.699 37 HA CYS 511 HA CYS 511 -11.079 -1.385 5.228 38 HB2 CYS 511 2HB CYS 511 -12.045 -1.843 7.897 39 HB3 CYS 511 1HB CYS 511 -11.688 -0.137 7.660 40 H ASN 512 H ASN 512 -8.384 -1.693 5.409 41 HA ASN 512 HA ASN 512 -7.606 1.008 6.234 42 HB2 ASN 512 2HB ASN 512 -6.751 -0.939 7.744 43 HB3 ASN 512 1HB ASN 512 -5.639 -1.250 6.417 44 HD21 ASN 512 1HD2 ASN 512 -5.845 1.852 5.982 45 HD22 ASN 512 2HD2 ASN 512 -4.675 2.449 7.097 46 HA PRO 513 HA PRO 513 -6.122 -0.211 1.918 47 HB2 PRO 513 2HB PRO 513 -8.153 0.186 0.287 48 HB3 PRO 513 1HB PRO 513 -8.142 -1.248 1.320 49 HG2 PRO 513 2HG PRO 513 -9.566 1.362 1.761 50 HG3 PRO 513 1HG PRO 513 -10.212 -0.281 1.874 51 HD2 PRO 513 2HD PRO 513 -9.322 1.162 4.034 52 HD3 PRO 513 1HD PRO 513 -9.337 -0.612 3.961 53 H ASN 514 H ASN 514 -8.360 1.949 0.555 54 HA ASN 514 HA ASN 514 -6.368 3.912 0.094 55 HB2 ASN 514 2HB ASN 514 -7.775 4.705 -1.519 56 HB3 ASN 514 1HB ASN 514 -8.480 3.107 -1.312 57 HD21 ASN 514 1HD2 ASN 514 -10.297 2.949 0.216 58 HD22 ASN 514 2HD2 ASN 514 -11.406 4.272 0.303 59 H LEU 515 H LEU 515 -8.190 3.407 2.791 60 HA LEU 515 HA LEU 515 -8.643 6.237 3.334 61 HB2 LEU 515 2HB LEU 515 -9.396 3.809 4.960 62 HB3 LEU 515 1HB LEU 515 -9.873 5.461 5.302 63 HG LEU 515 HG LEU 515 -11.774 4.627 4.287 64 HD11 LEU 515 1HD1 LEU 515 -11.159 6.640 3.123 65 HD12 LEU 515 2HD1 LEU 515 -11.854 5.502 1.969 66 HD13 LEU 515 3HD1 LEU 515 -10.106 5.739 2.031 67 HD21 LEU 515 3HD2 LEU 515 -10.078 3.187 2.251 68 HD22 LEU 515 1HD2 LEU 515 -11.828 3.068 2.446 69 HD23 LEU 515 2HD2 LEU 515 -10.754 2.446 3.702 70 H HIS 516 H HIS 516 -5.994 5.508 3.127 71 HA HIS 516 HA HIS 516 -4.833 6.646 5.362 72 HB2 HIS 516 2HB HIS 516 -5.576 4.411 6.383 73 HB3 HIS 516 1HB HIS 516 -4.330 3.672 5.384 74 HD1 HIS 516 1HD HIS 516 -2.731 2.985 7.205 75 HD2 HIS 516 2HD HIS 516 -3.777 7.002 7.413 76 HE1 HIS 516 1HE HIS 516 -1.208 3.988 8.937 77 HE2 HIS 516 2HE HIS 516 -1.797 6.437 8.978 78 H TYR 517 H TYR 517 -4.512 4.336 2.762 79 HA TYR 517 HA TYR 517 -1.894 4.080 2.250 80 HB2 TYR 517 2HB TYR 517 -2.423 3.690 -0.005 81 HB3 TYR 517 1HB TYR 517 -3.915 3.339 0.849 82 HD1 TYR 517 2HD TYR 517 -5.383 5.658 1.170 83 HD2 TYR 517 1HD TYR 517 -2.721 4.760 -2.021 84 HE1 TYR 517 2HE TYR 517 -6.602 7.231 -0.275 85 HE2 TYR 517 1HE TYR 517 -3.926 6.334 -3.477 86 HH TYR 517 HH TYR 517 -6.280 8.527 -2.266 87 H TRP 518 H TRP 518 -3.753 7.006 1.559 88 HA TRP 518 HA TRP 518 -1.695 8.443 0.262 89 HB2 TRP 518 2HB TRP 518 -3.139 10.450 0.998 90 HB3 TRP 518 1HB TRP 518 -3.888 9.256 -0.061 91 HD1 TRP 518 HD TRP 518 -3.535 8.395 3.624 92 HE1 TRP 518 1HE TRP 518 -5.861 8.368 4.709 93 HE3 TRP 518 3HE TRP 518 -6.244 10.342 -0.242 94 HZ2 TRP 518 2HZ TRP 518 -8.508 9.086 4.018 95 HZ3 TRP 518 3HZ TRP 518 -8.670 10.641 0.048 96 HH2 TRP 518 HH TRP 518 -9.778 10.024 2.136 97 H THR 519 H THR 519 0.143 7.994 1.648 98 HA THR 519 HA THR 519 0.634 10.084 3.519 99 HB THR 519 HB THR 519 -0.679 8.796 5.019 100 HG1 THR 519 1HG THR 519 0.880 9.251 6.348 101 HG21 THR 519 3HG2 THR 519 -0.239 6.631 3.571 102 HG22 THR 519 1HG2 THR 519 -0.751 6.558 5.259 103 HG23 THR 519 2HG2 THR 519 0.951 6.348 4.843 104 H THR 520 H THR 520 1.582 6.731 2.869 105 HA THR 520 HA THR 520 4.327 7.666 2.423 106 HB THR 520 HB THR 520 3.959 6.381 4.597 107 HG1 THR 520 1HG THR 520 5.882 5.198 4.274 108 HG21 THR 520 3HG2 THR 520 3.097 4.351 4.628 109 HG22 THR 520 1HG2 THR 520 4.292 3.790 3.458 110 HG23 THR 520 2HG2 THR 520 2.769 4.485 2.900 111 H GLN 521 H GLN 521 1.620 6.353 1.075 112 HA GLN 521 HA GLN 521 3.054 4.631 -0.765 113 HB2 GLN 521 2HB GLN 521 1.055 3.608 -1.268 114 HB3 GLN 521 1HB GLN 521 0.723 4.139 0.372 115 HG2 GLN 521 2HG GLN 521 -1.183 4.759 -0.745 116 HG3 GLN 521 1HG GLN 521 -0.245 6.249 -0.762 117 HE21 GLN 521 1HE2 GLN 521 -0.755 7.218 -2.581 118 HE22 GLN 521 2HE2 GLN 521 -0.695 6.514 -4.156 119 H ASP 522 H ASP 522 1.220 7.573 -0.640 120 HA ASP 522 HA ASP 522 1.569 8.095 -3.475 121 HB2 ASP 522 2HB ASP 522 -0.320 8.874 -1.565 122 HB3 ASP 522 1HB ASP 522 0.573 10.343 -1.943 123 H GLU 523 H GLU 523 3.515 8.219 -0.964 124 HA GLU 523 HA GLU 523 5.084 10.455 -2.018 125 HB2 GLU 523 2HB GLU 523 5.218 9.948 0.905 126 HB3 GLU 523 1HB GLU 523 5.351 11.464 0.020 127 HG2 GLU 523 2HG GLU 523 2.804 11.025 -0.454 128 HG3 GLU 523 1HG GLU 523 2.931 10.043 1.008 129 H GLY 524 H GLY 524 4.830 7.323 -0.644 130 HA2 GLY 524 2HA GLY 524 7.737 6.934 -0.928 131 HA3 GLY 524 1HA GLY 524 6.749 6.077 0.249 132 H ALA 525 H ALA 525 4.528 5.772 -1.693 133 HA ALA 525 HA ALA 525 5.676 3.524 -3.188 134 HB1 ALA 525 1HB ALA 525 3.821 3.081 -1.564 135 HB2 ALA 525 2HB ALA 525 3.487 2.551 -3.213 136 HB3 ALA 525 3HB ALA 525 2.762 4.038 -2.598 137 H ALA 526 H ALA 526 5.631 6.421 -3.891 138 HA ALA 526 HA ALA 526 4.608 6.101 -6.616 139 HB1 ALA 526 1HB ALA 526 3.845 8.550 -6.429 140 HB2 ALA 526 2HB ALA 526 3.880 8.268 -4.688 141 HB3 ALA 526 3HB ALA 526 2.829 7.294 -5.720 142 H ILE 527 H ILE 527 7.135 6.916 -4.638 143 HA ILE 527 HA ILE 527 8.566 8.184 -6.830 144 HB ILE 527 HB ILE 527 9.513 9.631 -4.694 145 HG12 ILE 527 2HG1 ILE 527 7.277 8.672 -3.596 146 HG13 ILE 527 1HG1 ILE 527 7.853 10.300 -3.259 147 HG21 ILE 527 1HG2 ILE 527 8.393 11.541 -5.755 148 HG22 ILE 527 2HG2 ILE 527 7.410 10.424 -6.701 149 HG23 ILE 527 3HG2 ILE 527 9.157 10.475 -6.934 150 HD11 ILE 527 3HD1 ILE 527 5.955 9.876 -5.513 151 HD12 ILE 527 1HD1 ILE 527 6.180 11.284 -4.475 152 HD13 ILE 527 2HD1 ILE 527 5.353 9.854 -3.855 153 H GLY 528 H GLY 528 8.633 6.754 -3.598 154 HA2 GLY 528 2HA GLY 528 11.444 6.443 -3.445 155 HA3 GLY 528 1HA GLY 528 10.257 5.578 -2.482 156 H LEU 529 H LEU 529 10.749 3.483 -2.610 157 HA LEU 529 HA LEU 529 11.177 2.366 -5.300 158 HB2 LEU 529 2HB LEU 529 12.864 2.250 -2.943 159 HB3 LEU 529 1HB LEU 529 12.488 0.654 -3.557 160 HG LEU 529 HG LEU 529 13.343 1.323 -5.777 161 HD11 LEU 529 1HD1 LEU 529 13.910 3.903 -4.342 162 HD12 LEU 529 2HD1 LEU 529 12.988 3.654 -5.826 163 HD13 LEU 529 3HD1 LEU 529 14.737 3.430 -5.826 164 HD21 LEU 529 3HD2 LEU 529 15.514 0.875 -5.246 165 HD22 LEU 529 1HD2 LEU 529 14.746 0.433 -3.721 166 HD23 LEU 529 2HD2 LEU 529 15.533 2.003 -3.889 167 H ALA 530 H ALA 530 8.818 2.040 -5.143 168 HA ALA 530 HA ALA 530 8.036 -0.267 -3.486 169 HB1 ALA 530 1HB ALA 530 6.728 2.116 -4.045 170 HB2 ALA 530 2HB ALA 530 6.016 0.675 -3.318 171 HB3 ALA 530 3HB ALA 530 5.914 0.928 -5.062 172 H TRP 531 H TRP 531 8.413 0.915 -6.698 173 HA TRP 531 HA TRP 531 7.180 -1.216 -8.131 174 HB2 TRP 531 2HB TRP 531 8.882 -0.144 -9.934 175 HB3 TRP 531 1HB TRP 531 7.366 0.633 -9.490 176 HD1 TRP 531 HD TRP 531 11.032 0.705 -8.217 177 HE1 TRP 531 1HE TRP 531 11.564 3.107 -7.486 178 HE3 TRP 531 3HE TRP 531 6.492 2.850 -9.160 179 HZ2 TRP 531 2HZ TRP 531 10.229 5.609 -7.351 180 HZ3 TRP 531 3HZ TRP 531 6.197 5.248 -8.700 181 HH2 TRP 531 HH TRP 531 8.024 6.599 -7.811 182 H ILE 532 H ILE 532 10.193 -0.776 -6.567 183 HA ILE 532 HA ILE 532 11.564 -2.823 -8.097 184 HB ILE 532 HB ILE 532 12.771 -0.822 -7.433 185 HG12 ILE 532 2HG1 ILE 532 14.073 -2.837 -5.696 186 HG13 ILE 532 1HG1 ILE 532 13.747 -3.317 -7.362 187 HG21 ILE 532 1HG2 ILE 532 12.012 -1.650 -4.658 188 HG22 ILE 532 2HG2 ILE 532 11.779 -0.098 -5.458 189 HG23 ILE 532 3HG2 ILE 532 13.396 -0.608 -4.973 190 HD11 ILE 532 3HD1 ILE 532 14.848 -0.695 -7.361 191 HD12 ILE 532 1HD1 ILE 532 15.508 -2.180 -8.053 192 HD13 ILE 532 2HD1 ILE 532 15.869 -1.752 -6.380 193 HA PRO 533 HA PRO 533 10.128 -5.803 -5.025 194 HB2 PRO 533 2HB PRO 533 10.598 -8.016 -6.454 195 HB3 PRO 533 1HB PRO 533 9.259 -6.933 -6.854 196 HG2 PRO 533 2HG PRO 533 11.945 -7.181 -8.142 197 HG3 PRO 533 1HG PRO 533 10.357 -6.954 -8.897 198 HD2 PRO 533 2HD PRO 533 12.181 -4.931 -8.440 199 HD3 PRO 533 1HD PRO 533 10.435 -4.688 -8.640 200 H TYR 534 H TYR 534 12.403 -4.742 -4.208 201 HA TYR 534 HA TYR 534 14.451 -6.832 -4.183 202 HB2 TYR 534 2HB TYR 534 15.056 -4.463 -4.762 203 HB3 TYR 534 1HB TYR 534 14.648 -4.017 -3.108 204 HD1 TYR 534 2HD TYR 534 16.527 -6.899 -4.548 205 HD2 TYR 534 1HD TYR 534 16.587 -3.529 -1.959 206 HE1 TYR 534 2HE TYR 534 18.808 -7.495 -3.839 207 HE2 TYR 534 1HE TYR 534 18.868 -4.111 -1.240 208 HH TYR 534 HH TYR 534 20.295 -6.180 -1.139 209 H PHE 535 H PHE 535 12.714 -4.697 -1.918 210 HA PHE 535 HA PHE 535 13.269 -6.664 0.206 211 HB2 PHE 535 2HB PHE 535 12.590 -4.421 1.587 212 HB3 PHE 535 1HB PHE 535 14.244 -4.877 1.193 213 HD1 PHE 535 1HD PHE 535 11.389 -2.789 0.109 214 HD2 PHE 535 2HD PHE 535 15.564 -3.547 -0.221 215 HE1 PHE 535 1HE PHE 535 11.670 -0.682 -1.131 216 HE2 PHE 535 2HE PHE 535 15.852 -1.441 -1.461 217 HZ PHE 535 HZ PHE 535 13.903 -0.005 -1.916 218 H GLY 536 H GLY 536 10.844 -4.469 -1.145 219 HA2 GLY 536 2HA GLY 536 8.560 -4.380 -0.889 220 HA3 GLY 536 1HA GLY 536 8.672 -6.132 -0.856 221 HA PRO 537 HA PRO 537 6.853 -5.886 3.196 222 HB2 PRO 537 2HB PRO 537 8.169 -8.489 3.687 223 HB3 PRO 537 1HB PRO 537 6.456 -8.063 3.749 224 HG2 PRO 537 2HG PRO 537 7.444 -9.533 1.747 225 HG3 PRO 537 1HG PRO 537 6.170 -8.330 1.469 226 HD2 PRO 537 2HD PRO 537 9.106 -8.149 0.911 227 HD3 PRO 537 1HD PRO 537 7.735 -7.581 -0.064 228 H ALA 538 H ALA 538 10.190 -5.991 2.581 229 HA ALA 538 HA ALA 538 11.050 -6.063 5.329 230 HB1 ALA 538 1HB ALA 538 12.283 -6.563 2.913 231 HB2 ALA 538 2HB ALA 538 13.078 -6.446 4.482 232 HB3 ALA 538 3HB ALA 538 12.996 -5.035 3.428 233 H ALA 539 H ALA 539 9.900 -3.688 3.157 234 HA ALA 539 HA ALA 539 11.128 -1.498 4.670 235 HB1 ALA 539 1HB ALA 539 9.665 -1.625 2.053 236 HB2 ALA 539 2HB ALA 539 11.341 -1.159 2.348 237 HB3 ALA 539 3HB ALA 539 10.027 -0.100 2.860 238 H GLU 540 H GLU 540 8.475 -3.413 4.765 239 HA GLU 540 HA GLU 540 6.302 -1.730 5.105 240 HB2 GLU 540 2HB GLU 540 6.987 -4.477 5.557 241 HB3 GLU 540 1HB GLU 540 5.959 -3.887 6.860 242 HG2 GLU 540 2HG GLU 540 4.463 -2.983 4.975 243 HG3 GLU 540 1HG GLU 540 5.383 -4.068 3.931 244 H GLY 541 H GLY 541 7.060 0.110 6.249 245 HA2 GLY 541 2HA GLY 541 6.311 0.807 8.578 246 HA3 GLY 541 1HA GLY 541 7.518 -0.344 9.125 247 H ILE 542 H ILE 542 9.082 0.701 6.586 248 HA ILE 542 HA ILE 542 10.321 2.892 8.089 249 HB ILE 542 HB ILE 542 12.039 2.403 5.988 250 HG12 ILE 542 2HG1 ILE 542 10.699 0.339 5.468 251 HG13 ILE 542 1HG1 ILE 542 12.396 0.042 5.819 252 HG21 ILE 542 1HG2 ILE 542 12.894 2.833 8.107 253 HG22 ILE 542 2HG2 ILE 542 13.359 1.160 7.795 254 HG23 ILE 542 3HG2 ILE 542 11.988 1.513 8.846 255 HD11 ILE 542 3HD1 ILE 542 10.686 -0.122 8.172 256 HD12 ILE 542 1HD1 ILE 542 11.917 -1.237 7.577 257 HD13 ILE 542 2HD1 ILE 542 10.283 -1.293 6.916 258 H TYR 543 H TYR 543 8.674 2.218 5.074 259 HA TYR 543 HA TYR 543 8.127 4.906 4.593 260 HB2 TYR 543 2HB TYR 543 9.671 4.849 2.343 261 HB3 TYR 543 1HB TYR 543 10.118 5.653 3.844 262 HD1 TYR 543 2HD TYR 543 10.108 1.996 3.122 263 HD2 TYR 543 1HD TYR 543 12.447 5.474 3.856 264 HE1 TYR 543 2HE TYR 543 12.129 0.602 3.259 265 HE2 TYR 543 1HE TYR 543 14.474 4.090 3.994 266 HH TYR 543 HH TYR 543 15.294 1.952 3.313 267 H ILE 544 H ILE 544 9.222 3.125 1.815 268 HA ILE 544 HA ILE 544 6.691 3.221 0.584 269 HB ILE 544 HB ILE 544 8.946 1.438 -0.286 270 HG12 ILE 544 2HG1 ILE 544 9.268 3.806 -1.662 271 HG13 ILE 544 1HG1 ILE 544 8.873 4.361 -0.041 272 HG21 ILE 544 1HG2 ILE 544 7.999 2.432 -2.533 273 HG22 ILE 544 2HG2 ILE 544 6.556 2.674 -1.548 274 HG23 ILE 544 3HG2 ILE 544 7.230 1.055 -1.743 275 HD11 ILE 544 3HD1 ILE 544 10.809 3.582 0.845 276 HD12 ILE 544 1HD1 ILE 544 11.356 3.864 -0.806 277 HD13 ILE 544 2HD1 ILE 544 10.919 2.236 -0.289 278 H GLU 545 H GLU 545 8.568 0.422 1.717 279 HA GLU 545 HA GLU 545 7.880 -1.562 2.624 280 HB2 GLU 545 2HB GLU 545 4.998 -0.939 2.093 281 HB3 GLU 545 1HB GLU 545 5.707 -1.938 3.352 282 HG2 GLU 545 2HG GLU 545 6.656 0.198 4.324 283 HG3 GLU 545 1HG GLU 545 5.604 1.061 3.206 284 H GLY 546 H GLY 546 5.934 -3.324 1.844 285 HA2 GLY 546 2HA GLY 546 6.557 -3.673 -1.021 286 HA3 GLY 546 1HA GLY 546 6.327 -4.997 0.115 287 H LEU 547 H LEU 547 4.476 -2.068 -0.643 288 HA LEU 547 HA LEU 547 2.008 -3.549 -0.504 289 HB2 LEU 547 2HB LEU 547 1.027 -1.267 -1.123 290 HB3 LEU 547 1HB LEU 547 1.818 -1.437 0.432 291 HG LEU 547 HG LEU 547 3.816 -0.566 -1.351 292 HD11 LEU 547 1HD1 LEU 547 1.258 0.294 -2.265 293 HD12 LEU 547 2HD1 LEU 547 2.855 0.691 -2.894 294 HD13 LEU 547 3HD1 LEU 547 2.136 1.683 -1.625 295 HD21 LEU 547 3HD2 LEU 547 3.753 -0.028 0.984 296 HD22 LEU 547 1HD2 LEU 547 2.243 0.860 0.783 297 HD23 LEU 547 2HD2 LEU 547 3.728 1.470 0.053 298 H MET 548 H MET 548 3.114 -1.273 -3.011 299 HA MET 548 HA MET 548 3.103 -1.352 -5.277 300 HB2 MET 548 2HB MET 548 2.649 -4.296 -4.822 301 HB3 MET 548 1HB MET 548 2.857 -3.575 -6.410 302 HG2 MET 548 2HG MET 548 5.073 -3.295 -6.146 303 HG3 MET 548 1HG MET 548 4.935 -2.932 -4.428 304 HE1 MET 548 3HE MET 548 4.808 -6.193 -2.652 305 HE2 MET 548 1HE MET 548 3.286 -6.001 -3.524 306 HE3 MET 548 2HE MET 548 4.075 -4.598 -2.808 307 H HIS 549 H HIS 549 0.412 -2.579 -3.494 308 HA HIS 549 HA HIS 549 -1.402 -2.464 -5.742 309 HB2 HIS 549 2HB HIS 549 -3.058 -2.686 -3.611 310 HB3 HIS 549 1HB HIS 549 -2.290 -4.061 -4.393 311 HD1 HIS 549 1HD HIS 549 -0.988 -1.618 -1.776 312 HD2 HIS 549 2HD HIS 549 -1.471 -5.696 -2.404 313 HE1 HIS 549 1HE HIS 549 0.075 -2.732 0.207 314 HE2 HIS 549 2HE HIS 549 -0.323 -5.197 -0.141 315 H ASN 550 H ASN 550 -0.322 -0.432 -3.167 316 HA ASN 550 HA ASN 550 -0.610 1.792 -2.779 317 HB2 ASN 550 2HB ASN 550 -2.396 1.738 -5.223 318 HB3 ASN 550 1HB ASN 550 -1.848 3.189 -4.392 319 HD21 ASN 550 1HD2 ASN 550 -0.928 0.534 -6.434 320 HD22 ASN 550 2HD2 ASN 550 0.597 1.178 -6.927 321 H GLN 551 H GLN 551 -3.380 -0.292 -3.148 322 HA GLN 551 HA GLN 551 -5.217 -0.538 -1.852 323 HB2 GLN 551 2HB GLN 551 -4.291 1.830 -0.242 324 HB3 GLN 551 1HB GLN 551 -5.428 0.580 0.235 325 HG2 GLN 551 2HG GLN 551 -3.566 -1.070 0.018 326 HG3 GLN 551 1HG GLN 551 -2.473 0.300 -0.175 327 HE21 GLN 551 1HE2 GLN 551 -3.467 -1.865 1.981 328 HE22 GLN 551 2HE2 GLN 551 -3.312 -0.963 3.446 329 H ASP 552 H ASP 552 -7.101 -0.089 -2.599 330 HA ASP 552 HA ASP 552 -8.048 2.632 -2.854 331 HB2 ASP 552 2HB ASP 552 -7.317 0.952 -5.190 332 HB3 ASP 552 1HB ASP 552 -8.809 1.880 -5.307 333 H GLY 553 H GLY 553 -9.149 1.086 -1.051 334 HA2 GLY 553 2HA GLY 553 -11.192 0.296 -0.365 335 HA3 GLY 553 1HA GLY 553 -11.822 0.736 -1.945 336 H LEU 554 H LEU 554 -9.323 -1.596 -0.957 337 HA LEU 554 HA LEU 554 -10.814 -3.658 -2.436 338 HB2 LEU 554 2HB LEU 554 -7.922 -3.847 -1.649 339 HB3 LEU 554 1HB LEU 554 -8.775 -4.753 -2.883 340 HG LEU 554 HG LEU 554 -8.000 -1.840 -3.005 341 HD11 LEU 554 1HD1 LEU 554 -6.946 -4.352 -4.221 342 HD12 LEU 554 2HD1 LEU 554 -6.075 -2.992 -3.514 343 HD13 LEU 554 3HD1 LEU 554 -6.818 -2.833 -5.106 344 HD21 LEU 554 3HD2 LEU 554 -10.112 -2.038 -4.087 345 HD22 LEU 554 1HD2 LEU 554 -9.628 -3.531 -4.891 346 HD23 LEU 554 2HD2 LEU 554 -8.880 -2.001 -5.348 347 H ILE 555 H ILE 555 -9.679 -2.708 0.654 348 HA ILE 555 HA ILE 555 -10.238 -5.379 1.756 349 HB ILE 555 HB ILE 555 -8.880 -3.180 3.289 350 HG12 ILE 555 2HG1 ILE 555 -7.002 -5.113 2.242 351 HG13 ILE 555 1HG1 ILE 555 -7.833 -4.300 0.923 352 HG21 ILE 555 1HG2 ILE 555 -7.797 -5.277 4.310 353 HG22 ILE 555 2HG2 ILE 555 -9.096 -6.155 3.511 354 HG23 ILE 555 3HG2 ILE 555 -9.478 -4.921 4.706 355 HD11 ILE 555 3HD1 ILE 555 -7.039 -2.387 2.898 356 HD12 ILE 555 1HD1 ILE 555 -6.587 -2.497 1.196 357 HD13 ILE 555 2HD1 ILE 555 -5.660 -3.375 2.413 358 H CYS 556 H CYS 556 -10.757 -1.925 2.289 359 HA CYS 556 HA CYS 556 -12.598 -2.211 4.420 360 HB2 CYS 556 2HB CYS 556 -11.226 -0.128 3.586 361 HB3 CYS 556 1HB CYS 556 -12.629 0.153 2.572 362 H GLY 557 H GLY 557 -12.856 -2.603 1.052 363 HA2 GLY 557 2HA GLY 557 -15.608 -3.343 1.258 364 HA3 GLY 557 1HA GLY 557 -15.375 -1.847 0.367 365 H LEU 558 H LEU 558 -15.637 -5.081 0.103 366 HA LEU 558 HA LEU 558 -13.744 -5.677 -1.928 367 HB2 LEU 558 2HB LEU 558 -16.331 -7.058 -1.253 368 HB3 LEU 558 1HB LEU 558 -14.998 -7.743 -2.165 369 HG LEU 558 HG LEU 558 -13.681 -7.161 0.086 370 HD11 LEU 558 1HD1 LEU 558 -14.982 -6.589 1.786 371 HD12 LEU 558 2HD1 LEU 558 -15.791 -8.153 1.666 372 HD13 LEU 558 3HD1 LEU 558 -16.424 -6.763 0.781 373 HD21 LEU 558 3HD2 LEU 558 -13.879 -9.357 -1.036 374 HD22 LEU 558 1HD2 LEU 558 -15.423 -9.602 -0.218 375 HD23 LEU 558 2HD2 LEU 558 -13.937 -9.469 0.724 376 H ARG 559 H ARG 559 -16.687 -3.971 -1.947 377 HA ARG 559 HA ARG 559 -16.949 -4.337 -4.856 378 HB2 ARG 559 2HB ARG 559 -19.244 -3.245 -3.339 379 HB3 ARG 559 1HB ARG 559 -19.218 -4.360 -4.698 380 HG2 ARG 559 2HG ARG 559 -18.078 -5.647 -2.408 381 HG3 ARG 559 1HG ARG 559 -19.635 -4.940 -1.974 382 HD2 ARG 559 2HD ARG 559 -19.269 -6.598 -4.451 383 HD3 ARG 559 1HD ARG 559 -19.636 -7.324 -2.887 384 HE ARG 559 HE ARG 559 -21.462 -6.020 -4.615 385 HH11 ARG 559 1HH1 ARG 559 -20.705 -6.451 -1.236 386 HH12 ARG 559 2HH1 ARG 559 -22.332 -6.184 -0.708 387 HH21 ARG 559 1HH2 ARG 559 -23.605 -5.669 -3.922 388 HH22 ARG 559 2HH2 ARG 559 -23.978 -5.740 -2.232 389 H GLN 560 H GLN 560 -15.355 -2.337 -3.197 390 HA GLN 560 HA GLN 560 -16.634 0.193 -3.642 391 HB2 GLN 560 2HB GLN 560 -13.726 -0.387 -3.043 392 HB3 GLN 560 1HB GLN 560 -14.502 1.185 -2.951 393 HG2 GLN 560 2HG GLN 560 -14.509 -1.044 -1.051 394 HG3 GLN 560 1HG GLN 560 -14.648 0.691 -0.769 395 HE21 GLN 560 1HE2 GLN 560 -16.352 -2.254 -1.447 396 HE22 GLN 560 2HE2 GLN 560 -17.934 -1.683 -1.077 Start of MODEL 2 1 H1 ALA 507 1HT ALA 507 -13.922 -10.234 -0.279 2 H2 ALA 507 2HT ALA 507 -13.679 -9.812 1.367 3 H3 ALA 507 3HT ALA 507 -13.725 -11.463 0.898 4 HA ALA 507 HA ALA 507 -11.712 -11.387 -0.114 5 HB1 ALA 507 2HB ALA 507 -12.337 -8.511 -0.383 6 HB2 ALA 507 3HB ALA 507 -11.597 -9.628 -1.531 7 HB3 ALA 507 1HB ALA 507 -10.634 -8.942 -0.223 8 H GLN 508 H GLN 508 -12.231 -8.733 2.215 9 HA GLN 508 HA GLN 508 -11.108 -10.055 4.404 10 HB2 GLN 508 2HB GLN 508 -8.972 -8.640 4.535 11 HB3 GLN 508 1HB GLN 508 -8.971 -10.025 3.453 12 HG2 GLN 508 2HG GLN 508 -9.820 -8.061 1.786 13 HG3 GLN 508 1HG GLN 508 -8.752 -7.165 2.862 14 HE21 GLN 508 1HE2 GLN 508 -6.865 -6.917 1.904 15 HE22 GLN 508 2HE2 GLN 508 -5.988 -8.136 1.052 16 HA PRO 509 HA PRO 509 -12.998 -6.281 5.925 17 HB2 PRO 509 2HB PRO 509 -13.790 -7.176 8.249 18 HB3 PRO 509 1HB PRO 509 -14.404 -7.974 6.789 19 HG2 PRO 509 2HG PRO 509 -12.139 -8.795 8.572 20 HG3 PRO 509 1HG PRO 509 -13.491 -9.786 7.985 21 HD2 PRO 509 2HD PRO 509 -10.989 -9.687 6.806 22 HD3 PRO 509 1HD PRO 509 -12.477 -10.145 5.951 23 H LYS 510 H LYS 510 -11.595 -4.698 6.362 24 HA LYS 510 HA LYS 510 -10.290 -4.636 8.946 25 HB2 LYS 510 2HB LYS 510 -8.811 -4.814 6.382 26 HB3 LYS 510 1HB LYS 510 -8.188 -3.700 7.591 27 HG2 LYS 510 2HG LYS 510 -7.618 -5.371 9.041 28 HG3 LYS 510 1HG LYS 510 -8.851 -6.473 8.426 29 HD2 LYS 510 2HD LYS 510 -6.744 -5.710 6.513 30 HD3 LYS 510 1HD LYS 510 -6.219 -6.701 7.876 31 HE2 LYS 510 2HE LYS 510 -8.603 -7.860 6.985 32 HE3 LYS 510 1HE LYS 510 -7.708 -7.450 5.523 33 HZ1 LYS 510 3HZ LYS 510 -6.730 -9.417 5.917 34 HZ2 LYS 510 1HZ LYS 510 -7.114 -9.421 7.564 35 HZ3 LYS 510 2HZ LYS 510 -5.782 -8.539 7.008 36 H CYS 511 H CYS 511 -10.625 -2.983 5.879 37 HA CYS 511 HA CYS 511 -11.350 -0.916 5.335 38 HB2 CYS 511 2HB CYS 511 -12.293 -1.153 8.063 39 HB3 CYS 511 1HB CYS 511 -11.896 0.508 7.644 40 H ASN 512 H ASN 512 -8.709 -1.398 5.469 41 HA ASN 512 HA ASN 512 -7.726 1.261 6.186 42 HB2 ASN 512 2HB ASN 512 -6.924 -0.291 7.906 43 HB3 ASN 512 1HB ASN 512 -6.229 -1.323 6.662 44 HD21 ASN 512 1HD2 ASN 512 -6.027 2.075 6.130 45 HD22 ASN 512 2HD2 ASN 512 -4.361 2.255 6.542 46 HA PRO 513 HA PRO 513 -6.320 -0.298 1.942 47 HB2 PRO 513 2HB PRO 513 -8.320 0.149 0.265 48 HB3 PRO 513 1HB PRO 513 -8.341 -1.271 1.310 49 HG2 PRO 513 2HG PRO 513 -9.769 1.342 1.661 50 HG3 PRO 513 1HG PRO 513 -10.387 -0.301 1.879 51 HD2 PRO 513 2HD PRO 513 -9.488 1.311 3.930 52 HD3 PRO 513 1HD PRO 513 -9.549 -0.461 3.989 53 H ASN 514 H ASN 514 -8.470 1.926 0.486 54 HA ASN 514 HA ASN 514 -6.330 3.748 -0.021 55 HB2 ASN 514 2HB ASN 514 -7.777 4.771 -1.601 56 HB3 ASN 514 1HB ASN 514 -8.083 3.039 -1.692 57 HD21 ASN 514 1HD2 ASN 514 -10.142 2.620 -1.965 58 HD22 ASN 514 2HD2 ASN 514 -11.467 3.476 -1.262 59 H LEU 515 H LEU 515 -8.083 3.467 2.657 60 HA LEU 515 HA LEU 515 -8.561 6.333 3.005 61 HB2 LEU 515 2HB LEU 515 -9.363 3.994 4.741 62 HB3 LEU 515 1HB LEU 515 -9.782 5.672 5.040 63 HG LEU 515 HG LEU 515 -11.709 4.720 4.077 64 HD11 LEU 515 1HD1 LEU 515 -10.162 6.108 1.889 65 HD12 LEU 515 2HD1 LEU 515 -11.174 6.874 3.115 66 HD13 LEU 515 3HD1 LEU 515 -11.907 5.839 1.889 67 HD21 LEU 515 3HD2 LEU 515 -10.655 3.742 1.558 68 HD22 LEU 515 1HD2 LEU 515 -11.710 2.943 2.724 69 HD23 LEU 515 2HD2 LEU 515 -9.960 2.894 2.937 70 H HIS 516 H HIS 516 -5.945 5.516 2.817 71 HA HIS 516 HA HIS 516 -4.713 6.745 4.968 72 HB2 HIS 516 2HB HIS 516 -5.545 4.355 5.889 73 HB3 HIS 516 1HB HIS 516 -3.997 3.871 5.207 74 HD1 HIS 516 1HD HIS 516 -5.042 4.303 8.338 75 HD2 HIS 516 2HD HIS 516 -2.206 6.438 6.178 76 HE1 HIS 516 1HE HIS 516 -3.553 5.376 10.058 77 HE2 HIS 516 2HE HIS 516 -1.793 6.590 8.727 78 H TYR 517 H TYR 517 -4.544 4.367 2.422 79 HA TYR 517 HA TYR 517 -1.949 3.956 1.880 80 HB2 TYR 517 2HB TYR 517 -2.534 3.572 -0.366 81 HB3 TYR 517 1HB TYR 517 -4.021 3.291 0.525 82 HD1 TYR 517 2HD TYR 517 -5.433 5.614 0.830 83 HD2 TYR 517 1HD TYR 517 -2.782 4.693 -2.365 84 HE1 TYR 517 2HE TYR 517 -6.621 7.220 -0.603 85 HE2 TYR 517 1HE TYR 517 -3.955 6.299 -3.809 86 HH TYR 517 HH TYR 517 -6.268 8.528 -2.587 87 H TRP 518 H TRP 518 -3.672 6.950 1.125 88 HA TRP 518 HA TRP 518 -1.568 8.261 -0.216 89 HB2 TRP 518 2HB TRP 518 -2.901 10.350 0.498 90 HB3 TRP 518 1HB TRP 518 -3.726 9.172 -0.519 91 HD1 TRP 518 HD TRP 518 -3.336 8.364 3.170 92 HE1 TRP 518 1HE TRP 518 -5.637 8.466 4.304 93 HE3 TRP 518 3HE TRP 518 -6.033 10.376 -0.670 94 HZ2 TRP 518 2HZ TRP 518 -8.260 9.300 3.659 95 HZ3 TRP 518 3HZ TRP 518 -8.437 10.797 -0.333 96 HH2 TRP 518 HH TRP 518 -9.525 10.267 1.788 97 H THR 519 H THR 519 0.236 7.689 1.179 98 HA THR 519 HA THR 519 0.893 9.801 2.981 99 HB THR 519 HB THR 519 -0.434 8.608 4.546 100 HG1 THR 519 1HG THR 519 1.565 9.233 5.398 101 HG21 THR 519 3HG2 THR 519 1.053 6.069 4.367 102 HG22 THR 519 1HG2 THR 519 -0.162 6.393 3.130 103 HG23 THR 519 2HG2 THR 519 -0.619 6.384 4.835 104 H THR 520 H THR 520 1.653 6.394 2.379 105 HA THR 520 HA THR 520 4.443 7.176 1.872 106 HB THR 520 HB THR 520 4.189 5.886 3.978 107 HG1 THR 520 1HG THR 520 6.094 5.669 2.747 108 HG21 THR 520 3HG2 THR 520 2.682 4.072 2.251 109 HG22 THR 520 1HG2 THR 520 2.636 4.286 4.001 110 HG23 THR 520 2HG2 THR 520 3.892 3.287 3.268 111 H GLN 521 H GLN 521 1.615 5.964 0.597 112 HA GLN 521 HA GLN 521 2.975 4.372 -1.417 113 HB2 GLN 521 2HB GLN 521 1.110 3.115 -1.600 114 HB3 GLN 521 1HB GLN 521 0.711 3.821 -0.041 115 HG2 GLN 521 2HG GLN 521 -1.210 3.957 -1.411 116 HG3 GLN 521 1HG GLN 521 -0.566 5.585 -1.245 117 HE21 GLN 521 1HE2 GLN 521 -0.713 6.689 -3.024 118 HE22 GLN 521 2HE2 GLN 521 -0.533 6.087 -4.634 119 H ASP 522 H ASP 522 1.427 7.374 -0.909 120 HA ASP 522 HA ASP 522 1.457 7.952 -3.790 121 HB2 ASP 522 2HB ASP 522 -0.578 8.360 -1.944 122 HB3 ASP 522 1HB ASP 522 0.144 9.956 -2.131 123 H GLU 523 H GLU 523 3.327 8.202 -1.237 124 HA GLU 523 HA GLU 523 4.677 10.609 -2.197 125 HB2 GLU 523 2HB GLU 523 4.613 10.118 0.746 126 HB3 GLU 523 1HB GLU 523 4.804 11.633 -0.132 127 HG2 GLU 523 2HG GLU 523 2.346 11.168 -0.868 128 HG3 GLU 523 1HG GLU 523 2.325 10.143 0.568 129 H GLY 524 H GLY 524 4.682 7.488 -0.772 130 HA2 GLY 524 2HA GLY 524 7.624 7.426 -0.811 131 HA3 GLY 524 1HA GLY 524 6.621 6.401 0.210 132 H ALA 525 H ALA 525 4.687 6.075 -2.087 133 HA ALA 525 HA ALA 525 6.236 4.021 -3.509 134 HB1 ALA 525 1HB ALA 525 4.307 3.256 -2.122 135 HB2 ALA 525 2HB ALA 525 4.195 2.804 -3.824 136 HB3 ALA 525 3HB ALA 525 3.241 4.151 -3.202 137 H ALA 526 H ALA 526 5.889 6.933 -4.085 138 HA ALA 526 HA ALA 526 5.179 6.636 -6.914 139 HB1 ALA 526 1HB ALA 526 4.096 8.632 -4.978 140 HB2 ALA 526 2HB ALA 526 3.250 7.686 -6.205 141 HB3 ALA 526 3HB ALA 526 4.261 9.050 -6.685 142 H ILE 527 H ILE 527 7.434 7.518 -4.681 143 HA ILE 527 HA ILE 527 9.026 8.929 -6.654 144 HB ILE 527 HB ILE 527 9.622 10.413 -4.446 145 HG12 ILE 527 2HG1 ILE 527 7.395 9.238 -3.555 146 HG13 ILE 527 1HG1 ILE 527 7.816 10.891 -3.123 147 HG21 ILE 527 1HG2 ILE 527 8.441 12.245 -5.566 148 HG22 ILE 527 2HG2 ILE 527 7.608 11.073 -6.586 149 HG23 ILE 527 3HG2 ILE 527 9.357 11.257 -6.706 150 HD11 ILE 527 3HD1 ILE 527 6.144 10.434 -5.538 151 HD12 ILE 527 1HD1 ILE 527 6.152 11.786 -4.404 152 HD13 ILE 527 2HD1 ILE 527 5.409 10.254 -3.944 153 H GLY 528 H GLY 528 8.747 7.388 -3.495 154 HA2 GLY 528 2HA GLY 528 11.508 7.275 -2.907 155 HA3 GLY 528 1HA GLY 528 10.258 6.275 -2.187 156 H LEU 529 H LEU 529 10.774 4.205 -2.369 157 HA LEU 529 HA LEU 529 11.817 3.253 -4.949 158 HB2 LEU 529 2HB LEU 529 12.786 2.657 -2.179 159 HB3 LEU 529 1HB LEU 529 13.143 1.591 -3.514 160 HG LEU 529 HG LEU 529 14.058 4.428 -3.110 161 HD11 LEU 529 1HD1 LEU 529 15.458 2.890 -1.999 162 HD12 LEU 529 2HD1 LEU 529 16.283 3.299 -3.504 163 HD13 LEU 529 3HD1 LEU 529 15.426 1.764 -3.356 164 HD21 LEU 529 3HD2 LEU 529 13.453 4.368 -5.395 165 HD22 LEU 529 1HD2 LEU 529 14.126 2.753 -5.607 166 HD23 LEU 529 2HD2 LEU 529 15.198 4.126 -5.335 167 H ALA 530 H ALA 530 9.516 2.703 -5.293 168 HA ALA 530 HA ALA 530 8.687 0.251 -3.872 169 HB1 ALA 530 1HB ALA 530 7.152 2.299 -3.949 170 HB2 ALA 530 2HB ALA 530 6.452 0.746 -4.400 171 HB3 ALA 530 3HB ALA 530 6.912 1.902 -5.649 172 H TRP 531 H TRP 531 9.428 1.685 -6.911 173 HA TRP 531 HA TRP 531 8.589 -0.412 -8.651 174 HB2 TRP 531 2HB TRP 531 10.451 0.921 -10.095 175 HB3 TRP 531 1HB TRP 531 8.817 1.536 -9.851 176 HD1 TRP 531 HD TRP 531 12.203 1.787 -7.971 177 HE1 TRP 531 1HE TRP 531 12.395 4.158 -7.009 178 HE3 TRP 531 3HE TRP 531 7.726 3.654 -9.568 179 HZ2 TRP 531 2HZ TRP 531 10.844 6.539 -6.959 180 HZ3 TRP 531 3HZ TRP 531 7.150 5.981 -9.022 181 HH2 TRP 531 HH TRP 531 8.671 7.393 -7.742 182 H ILE 532 H ILE 532 11.105 -0.195 -6.450 183 HA ILE 532 HA ILE 532 12.864 -1.992 -7.960 184 HB ILE 532 HB ILE 532 13.856 0.094 -7.238 185 HG12 ILE 532 2HG1 ILE 532 14.993 -1.896 -5.308 186 HG13 ILE 532 1HG1 ILE 532 15.111 -2.183 -7.047 187 HG21 ILE 532 1HG2 ILE 532 12.341 -0.411 -4.860 188 HG22 ILE 532 2HG2 ILE 532 13.133 1.070 -5.398 189 HG23 ILE 532 3HG2 ILE 532 14.033 -0.119 -4.457 190 HD11 ILE 532 3HD1 ILE 532 16.805 -0.773 -7.206 191 HD12 ILE 532 1HD1 ILE 532 16.775 -0.601 -5.449 192 HD13 ILE 532 2HD1 ILE 532 15.848 0.512 -6.461 193 HA PRO 533 HA PRO 533 10.848 -4.795 -4.827 194 HB2 PRO 533 2HB PRO 533 11.677 -6.794 -6.846 195 HB3 PRO 533 1HB PRO 533 10.108 -6.564 -6.068 196 HG2 PRO 533 2HG PRO 533 10.502 -5.899 -8.629 197 HG3 PRO 533 1HG PRO 533 9.449 -4.940 -7.573 198 HD2 PRO 533 2HD PRO 533 12.247 -4.380 -8.479 199 HD3 PRO 533 1HD PRO 533 10.880 -3.268 -8.274 200 H TYR 534 H TYR 534 12.823 -4.132 -3.621 201 HA TYR 534 HA TYR 534 15.061 -6.000 -3.928 202 HB2 TYR 534 2HB TYR 534 15.654 -3.635 -3.926 203 HB3 TYR 534 1HB TYR 534 14.832 -3.405 -2.388 204 HD1 TYR 534 2HD TYR 534 16.742 -6.463 -2.840 205 HD2 TYR 534 1HD TYR 534 16.919 -2.428 -1.511 206 HE1 TYR 534 2HE TYR 534 18.837 -6.955 -1.648 207 HE2 TYR 534 1HE TYR 534 19.013 -2.905 -0.315 208 HH TYR 534 HH TYR 534 20.922 -5.415 -0.877 209 H PHE 535 H PHE 535 13.147 -4.509 -1.306 210 HA PHE 535 HA PHE 535 13.488 -7.010 0.216 211 HB2 PHE 535 2HB PHE 535 13.076 -5.390 2.241 212 HB3 PHE 535 1HB PHE 535 14.681 -5.537 1.536 213 HD1 PHE 535 2HD PHE 535 15.199 -3.825 -0.387 214 HD2 PHE 535 1HD PHE 535 12.205 -3.293 2.586 215 HE1 PHE 535 2HE PHE 535 15.261 -1.398 -0.776 216 HE2 PHE 535 1HE PHE 535 12.259 -0.862 2.209 217 HZ PHE 535 HZ PHE 535 13.787 0.089 0.532 218 H GLY 536 H GLY 536 11.357 -4.288 -0.509 219 HA2 GLY 536 2HA GLY 536 9.083 -4.045 -0.349 220 HA3 GLY 536 1HA GLY 536 9.027 -5.758 -0.727 221 HA PRO 537 HA PRO 537 7.100 -5.968 3.315 222 HB2 PRO 537 2HB PRO 537 6.552 -8.607 3.311 223 HB3 PRO 537 1HB PRO 537 5.632 -7.452 2.339 224 HG2 PRO 537 2HG PRO 537 7.855 -9.278 1.508 225 HG3 PRO 537 1HG PRO 537 6.328 -8.927 0.679 226 HD2 PRO 537 2HD PRO 537 8.690 -7.765 -0.006 227 HD3 PRO 537 1HD PRO 537 7.120 -6.965 -0.218 228 H ALA 538 H ALA 538 10.082 -7.162 2.406 229 HA ALA 538 HA ALA 538 10.693 -8.852 4.609 230 HB1 ALA 538 1HB ALA 538 12.808 -7.345 3.133 231 HB2 ALA 538 2HB ALA 538 11.884 -8.593 2.296 232 HB3 ALA 538 3HB ALA 538 12.820 -9.004 3.733 233 H ALA 539 H ALA 539 10.888 -5.427 3.980 234 HA ALA 539 HA ALA 539 12.206 -4.936 6.550 235 HB1 ALA 539 1HB ALA 539 12.469 -2.669 5.798 236 HB2 ALA 539 2HB ALA 539 11.405 -2.957 4.421 237 HB3 ALA 539 3HB ALA 539 12.981 -3.746 4.497 238 H GLU 540 H GLU 540 9.297 -4.245 4.719 239 HA GLU 540 HA GLU 540 7.346 -3.165 5.315 240 HB2 GLU 540 2HB GLU 540 6.015 -4.654 6.609 241 HB3 GLU 540 1HB GLU 540 7.155 -5.619 5.681 242 HG2 GLU 540 2HG GLU 540 8.595 -5.506 7.842 243 HG3 GLU 540 1HG GLU 540 7.064 -5.102 8.617 244 H GLY 541 H GLY 541 7.673 -1.113 6.092 245 HA2 GLY 541 2HA GLY 541 6.778 -0.118 8.311 246 HA3 GLY 541 1HA GLY 541 8.258 -0.810 8.951 247 H ILE 542 H ILE 542 9.232 0.044 6.003 248 HA ILE 542 HA ILE 542 10.331 2.554 6.972 249 HB ILE 542 HB ILE 542 10.845 1.446 4.234 250 HG12 ILE 542 2HG1 ILE 542 12.667 0.674 6.457 251 HG13 ILE 542 1HG1 ILE 542 11.162 -0.227 6.290 252 HG21 ILE 542 1HG2 ILE 542 11.639 3.733 5.204 253 HG22 ILE 542 2HG2 ILE 542 12.742 2.741 4.250 254 HG23 ILE 542 3HG2 ILE 542 12.856 2.744 6.010 255 HD11 ILE 542 3HD1 ILE 542 13.274 -1.085 5.102 256 HD12 ILE 542 1HD1 ILE 542 12.946 0.196 3.936 257 HD13 ILE 542 2HD1 ILE 542 11.746 -1.065 4.219 258 H TYR 543 H TYR 543 8.229 1.377 4.396 259 HA TYR 543 HA TYR 543 6.652 3.651 4.264 260 HB2 TYR 543 2HB TYR 543 7.593 4.345 1.849 261 HB3 TYR 543 1HB TYR 543 8.131 5.110 3.337 262 HD1 TYR 543 2HD TYR 543 9.143 1.713 2.263 263 HD2 TYR 543 1HD TYR 543 10.270 5.805 2.573 264 HE1 TYR 543 2HE TYR 543 11.463 1.109 1.722 265 HE2 TYR 543 1HE TYR 543 12.593 5.210 2.034 266 HH TYR 543 HH TYR 543 13.717 1.996 2.025 267 H ILE 544 H ILE 544 7.757 2.546 1.150 268 HA ILE 544 HA ILE 544 5.225 1.623 0.386 269 HB ILE 544 HB ILE 544 7.703 0.622 -0.965 270 HG12 ILE 544 2HG1 ILE 544 7.186 3.011 -2.219 271 HG13 ILE 544 1HG1 ILE 544 6.943 3.426 -0.528 272 HG21 ILE 544 1HG2 ILE 544 6.256 0.066 -2.550 273 HG22 ILE 544 2HG2 ILE 544 5.722 1.740 -2.685 274 HG23 ILE 544 3HG2 ILE 544 4.939 0.656 -1.537 275 HD11 ILE 544 3HD1 ILE 544 9.284 1.983 -0.500 276 HD12 ILE 544 1HD1 ILE 544 9.136 3.740 -0.449 277 HD13 ILE 544 2HD1 ILE 544 9.388 2.920 -1.989 278 H GLU 545 H GLU 545 8.152 -0.385 0.615 279 HA GLU 545 HA GLU 545 8.491 -2.475 1.450 280 HB2 GLU 545 2HB GLU 545 5.664 -2.469 2.501 281 HB3 GLU 545 1HB GLU 545 7.054 -3.379 3.101 282 HG2 GLU 545 2HG GLU 545 6.574 -0.417 3.315 283 HG3 GLU 545 1HG GLU 545 6.614 -1.598 4.620 284 H GLY 546 H GLY 546 5.835 -4.221 1.631 285 HA2 GLY 546 2HA GLY 546 6.165 -5.292 -1.047 286 HA3 GLY 546 1HA GLY 546 5.239 -6.016 0.261 287 H LEU 547 H LEU 547 4.304 -2.931 0.281 288 HA LEU 547 HA LEU 547 1.807 -3.497 -1.001 289 HB2 LEU 547 2HB LEU 547 1.050 -1.573 0.008 290 HB3 LEU 547 1HB LEU 547 2.380 -2.003 1.079 291 HG LEU 547 HG LEU 547 3.769 -0.475 -0.489 292 HD11 LEU 547 1HD1 LEU 547 2.723 0.887 -1.917 293 HD12 LEU 547 2HD1 LEU 547 1.406 1.216 -0.789 294 HD13 LEU 547 3HD1 LEU 547 1.374 -0.244 -1.785 295 HD21 LEU 547 3HD2 LEU 547 3.515 1.285 1.043 296 HD22 LEU 547 1HD2 LEU 547 3.112 -0.171 1.952 297 HD23 LEU 547 2HD2 LEU 547 1.826 0.882 1.356 298 H MET 548 H MET 548 1.374 -3.207 -3.038 299 HA MET 548 HA MET 548 2.653 -1.080 -4.571 300 HB2 MET 548 2HB MET 548 2.424 -3.773 -5.848 301 HB3 MET 548 1HB MET 548 3.445 -2.418 -6.294 302 HG2 MET 548 2HG MET 548 5.127 -3.376 -5.238 303 HG3 MET 548 1HG MET 548 4.257 -3.202 -3.722 304 HE1 MET 548 3HE MET 548 2.129 -4.862 -3.324 305 HE2 MET 548 1HE MET 548 2.171 -6.572 -3.751 306 HE3 MET 548 2HE MET 548 1.715 -5.373 -4.960 307 H HIS 549 H HIS 549 -0.123 -2.528 -3.630 308 HA HIS 549 HA HIS 549 -1.555 -2.352 -6.141 309 HB2 HIS 549 2HB HIS 549 -2.787 -2.717 -3.413 310 HB3 HIS 549 1HB HIS 549 -3.431 -3.214 -4.975 311 HD1 HIS 549 1HD HIS 549 -1.225 -4.319 -2.220 312 HD2 HIS 549 2HD HIS 549 -2.233 -5.565 -6.054 313 HE1 HIS 549 1HE HIS 549 -0.391 -6.684 -2.399 314 HE2 HIS 549 2HE HIS 549 -1.114 -7.453 -4.687 315 H ASN 550 H ASN 550 -0.777 -0.361 -3.473 316 HA ASN 550 HA ASN 550 -1.086 1.890 -3.189 317 HB2 ASN 550 2HB ASN 550 -3.137 1.924 -5.395 318 HB3 ASN 550 1HB ASN 550 -2.147 3.254 -4.801 319 HD21 ASN 550 1HD2 ASN 550 0.331 2.049 -4.734 320 HD22 ASN 550 2HD2 ASN 550 0.830 1.686 -6.348 321 H GLN 551 H GLN 551 -3.721 -0.347 -3.368 322 HA GLN 551 HA GLN 551 -5.459 -0.672 -1.958 323 HB2 GLN 551 2HB GLN 551 -4.784 1.901 -0.560 324 HB3 GLN 551 1HB GLN 551 -5.700 0.532 0.054 325 HG2 GLN 551 2HG GLN 551 -3.640 -0.841 -0.118 326 HG3 GLN 551 1HG GLN 551 -2.756 0.632 -0.515 327 HE21 GLN 551 1HE2 GLN 551 -3.551 -1.408 1.924 328 HE22 GLN 551 2HE2 GLN 551 -3.345 -0.350 3.274 329 H ASP 552 H ASP 552 -7.403 -0.467 -2.612 330 HA ASP 552 HA ASP 552 -8.627 2.113 -3.096 331 HB2 ASP 552 2HB ASP 552 -7.638 0.456 -5.253 332 HB3 ASP 552 1HB ASP 552 -9.381 0.667 -5.378 333 H GLY 553 H GLY 553 -9.439 0.772 -1.058 334 HA2 GLY 553 2HA GLY 553 -11.339 -0.091 -0.089 335 HA3 GLY 553 1HA GLY 553 -12.108 -0.007 -1.667 336 H LEU 554 H LEU 554 -9.391 -1.841 -0.282 337 HA LEU 554 HA LEU 554 -10.516 -4.270 -1.497 338 HB2 LEU 554 2HB LEU 554 -7.719 -3.825 -0.462 339 HB3 LEU 554 1HB LEU 554 -8.291 -5.199 -1.392 340 HG LEU 554 HG LEU 554 -7.882 -2.373 -2.354 341 HD11 LEU 554 1HD1 LEU 554 -5.886 -3.756 -2.273 342 HD12 LEU 554 2HD1 LEU 554 -6.364 -3.450 -3.943 343 HD13 LEU 554 3HD1 LEU 554 -6.703 -5.014 -3.201 344 HD21 LEU 554 3HD2 LEU 554 -8.626 -3.373 -4.585 345 HD22 LEU 554 1HD2 LEU 554 -9.884 -2.971 -3.414 346 HD23 LEU 554 2HD2 LEU 554 -9.375 -4.647 -3.623 347 H ILE 555 H ILE 555 -9.555 -2.802 1.498 348 HA ILE 555 HA ILE 555 -10.168 -5.295 2.936 349 HB ILE 555 HB ILE 555 -9.145 -3.616 4.852 350 HG12 ILE 555 2HG1 ILE 555 -8.524 -2.052 2.927 351 HG13 ILE 555 1HG1 ILE 555 -7.241 -2.475 4.050 352 HG21 ILE 555 1HG2 ILE 555 -7.164 -5.022 4.764 353 HG22 ILE 555 2HG2 ILE 555 -7.619 -5.579 3.154 354 HG23 ILE 555 3HG2 ILE 555 -8.630 -5.978 4.544 355 HD11 ILE 555 3HD1 ILE 555 -6.125 -3.748 2.507 356 HD12 ILE 555 1HD1 ILE 555 -6.816 -2.490 1.482 357 HD13 ILE 555 2HD1 ILE 555 -7.578 -4.078 1.564 358 H CYS 556 H CYS 556 -11.039 -1.944 2.549 359 HA CYS 556 HA CYS 556 -12.780 -1.860 4.823 360 HB2 CYS 556 2HB CYS 556 -11.585 0.077 3.416 361 HB3 CYS 556 1HB CYS 556 -13.122 0.059 2.568 362 H GLY 557 H GLY 557 -13.003 -3.286 1.819 363 HA2 GLY 557 2HA GLY 557 -15.778 -3.894 2.223 364 HA3 GLY 557 1HA GLY 557 -15.462 -2.910 0.796 365 H LEU 558 H LEU 558 -15.723 -4.274 -0.844 366 HA LEU 558 HA LEU 558 -13.805 -6.412 -1.131 367 HB2 LEU 558 2HB LEU 558 -16.542 -7.304 -1.753 368 HB3 LEU 558 1HB LEU 558 -15.184 -8.202 -1.107 369 HG LEU 558 HG LEU 558 -16.663 -6.250 0.624 370 HD11 LEU 558 1HD1 LEU 558 -18.205 -7.927 1.308 371 HD12 LEU 558 2HD1 LEU 558 -17.428 -9.139 0.289 372 HD13 LEU 558 3HD1 LEU 558 -18.300 -7.794 -0.448 373 HD21 LEU 558 3HD2 LEU 558 -15.347 -7.052 2.235 374 HD22 LEU 558 1HD2 LEU 558 -14.449 -7.919 0.988 375 HD23 LEU 558 2HD2 LEU 558 -15.778 -8.715 1.830 376 H ARG 559 H ARG 559 -16.474 -4.541 -2.449 377 HA ARG 559 HA ARG 559 -15.260 -4.814 -5.114 378 HB2 ARG 559 2HB ARG 559 -17.681 -4.502 -5.953 379 HB3 ARG 559 1HB ARG 559 -17.201 -6.086 -5.359 380 HG2 ARG 559 2HG ARG 559 -18.508 -5.940 -3.494 381 HG3 ARG 559 1HG ARG 559 -18.423 -4.178 -3.440 382 HD2 ARG 559 2HD ARG 559 -19.712 -4.787 -5.842 383 HD3 ARG 559 1HD ARG 559 -20.403 -5.887 -4.649 384 HE ARG 559 HE ARG 559 -21.430 -4.104 -3.651 385 HH11 ARG 559 1HH1 ARG 559 -18.947 -2.914 -5.795 386 HH12 ARG 559 2HH1 ARG 559 -19.420 -1.257 -5.627 387 HH21 ARG 559 1HH2 ARG 559 -22.053 -1.927 -3.426 388 HH22 ARG 559 2HH2 ARG 559 -21.184 -0.696 -4.281 389 H GLN 560 H GLN 560 -14.841 -2.765 -3.116 390 HA GLN 560 HA GLN 560 -16.311 -0.457 -3.371 391 HB2 GLN 560 2HB GLN 560 -13.321 -0.777 -3.067 392 HB3 GLN 560 1HB GLN 560 -14.142 0.769 -2.935 393 HG2 GLN 560 2HG GLN 560 -14.035 -1.496 -1.046 394 HG3 GLN 560 1HG GLN 560 -14.045 0.240 -0.740 395 HE21 GLN 560 1HE2 GLN 560 -16.047 -2.527 -1.554 396 HE22 GLN 560 2HE2 GLN 560 -17.527 -1.878 -0.950 Start of MODEL 3 1 H1 ALA 507 1HT ALA 507 -8.604 -10.537 -0.741 2 H2 ALA 507 2HT ALA 507 -9.315 -8.999 -1.016 3 H3 ALA 507 3HT ALA 507 -9.865 -10.370 -1.892 4 HA ALA 507 HA ALA 507 -11.253 -9.550 0.008 5 HB1 ALA 507 2HB ALA 507 -10.603 -12.404 0.438 6 HB2 ALA 507 3HB ALA 507 -11.060 -11.923 -1.197 7 HB3 ALA 507 1HB ALA 507 -12.158 -11.624 0.150 8 H GLN 508 H GLN 508 -10.996 -8.676 1.947 9 HA GLN 508 HA GLN 508 -9.949 -10.025 4.159 10 HB2 GLN 508 2HB GLN 508 -7.944 -8.438 4.509 11 HB3 GLN 508 1HB GLN 508 -7.750 -9.801 3.414 12 HG2 GLN 508 2HG GLN 508 -8.197 -8.292 1.513 13 HG3 GLN 508 1HG GLN 508 -8.279 -6.940 2.642 14 HE21 GLN 508 1HE2 GLN 508 -6.538 -6.441 0.879 15 HE22 GLN 508 2HE2 GLN 508 -4.913 -6.776 1.362 16 HA PRO 509 HA PRO 509 -12.226 -6.500 5.732 17 HB2 PRO 509 2HB PRO 509 -12.889 -7.480 8.069 18 HB3 PRO 509 1HB PRO 509 -13.437 -8.328 6.612 19 HG2 PRO 509 2HG PRO 509 -11.064 -8.915 8.350 20 HG3 PRO 509 1HG PRO 509 -12.323 -10.038 7.794 21 HD2 PRO 509 2HD PRO 509 -9.886 -9.725 6.553 22 HD3 PRO 509 1HD PRO 509 -11.356 -10.265 5.714 23 H LYS 510 H LYS 510 -11.124 -4.735 6.248 24 HA LYS 510 HA LYS 510 -9.799 -4.516 8.795 25 HB2 LYS 510 2HB LYS 510 -8.266 -4.541 6.246 26 HB3 LYS 510 1HB LYS 510 -7.764 -3.420 7.502 27 HG2 LYS 510 2HG LYS 510 -8.013 -6.406 7.800 28 HG3 LYS 510 1HG LYS 510 -6.510 -5.503 7.602 29 HD2 LYS 510 2HD LYS 510 -6.428 -5.021 9.778 30 HD3 LYS 510 1HD LYS 510 -8.089 -4.429 9.771 31 HE2 LYS 510 2HE LYS 510 -8.936 -6.664 10.070 32 HE3 LYS 510 1HE LYS 510 -7.314 -7.338 9.917 33 HZ1 LYS 510 3HZ LYS 510 -6.730 -6.649 11.998 34 HZ2 LYS 510 1HZ LYS 510 -8.380 -6.926 12.250 35 HZ3 LYS 510 2HZ LYS 510 -7.813 -5.350 12.014 36 H CYS 511 H CYS 511 -10.105 -2.927 5.691 37 HA CYS 511 HA CYS 511 -11.009 -0.947 5.074 38 HB2 CYS 511 2HB CYS 511 -12.083 -1.239 7.735 39 HB3 CYS 511 1HB CYS 511 -11.754 0.448 7.366 40 H ASN 512 H ASN 512 -8.367 -1.208 5.300 41 HA ASN 512 HA ASN 512 -7.599 1.527 6.009 42 HB2 ASN 512 2HB ASN 512 -6.773 0.098 7.810 43 HB3 ASN 512 1HB ASN 512 -5.979 -0.949 6.639 44 HD21 ASN 512 1HD2 ASN 512 -5.984 2.496 6.156 45 HD22 ASN 512 2HD2 ASN 512 -4.322 2.753 6.546 46 HA PRO 513 HA PRO 513 -5.864 -0.089 1.881 47 HB2 PRO 513 2HB PRO 513 -7.795 0.260 0.082 48 HB3 PRO 513 1HB PRO 513 -7.760 -1.178 1.102 49 HG2 PRO 513 2HG PRO 513 -9.401 1.311 1.415 50 HG3 PRO 513 1HG PRO 513 -9.902 -0.381 1.572 51 HD2 PRO 513 2HD PRO 513 -9.274 1.231 3.702 52 HD3 PRO 513 1HD PRO 513 -9.130 -0.537 3.714 53 H ASN 514 H ASN 514 -8.081 2.023 0.326 54 HA ASN 514 HA ASN 514 -6.005 3.932 -0.131 55 HB2 ASN 514 2HB ASN 514 -7.455 4.894 -1.751 56 HB3 ASN 514 1HB ASN 514 -7.664 3.150 -1.855 57 HD21 ASN 514 1HD2 ASN 514 -9.689 2.655 -2.241 58 HD22 ASN 514 2HD2 ASN 514 -11.079 3.421 -1.563 59 H LEU 515 H LEU 515 -7.840 3.577 2.489 60 HA LEU 515 HA LEU 515 -8.429 6.424 2.825 61 HB2 LEU 515 2HB LEU 515 -9.211 4.041 4.507 62 HB3 LEU 515 1HB LEU 515 -9.664 5.700 4.846 63 HG LEU 515 HG LEU 515 -11.562 4.786 3.824 64 HD11 LEU 515 1HD1 LEU 515 -11.715 5.890 1.630 65 HD12 LEU 515 2HD1 LEU 515 -9.967 6.139 1.647 66 HD13 LEU 515 3HD1 LEU 515 -10.984 6.930 2.853 67 HD21 LEU 515 3HD2 LEU 515 -10.137 3.741 1.431 68 HD22 LEU 515 1HD2 LEU 515 -11.614 3.166 2.208 69 HD23 LEU 515 2HD2 LEU 515 -10.042 2.813 2.927 70 H HIS 516 H HIS 516 -5.801 5.821 2.701 71 HA HIS 516 HA HIS 516 -4.655 7.065 4.850 72 HB2 HIS 516 2HB HIS 516 -5.361 4.406 5.565 73 HB3 HIS 516 1HB HIS 516 -3.607 4.454 5.417 74 HD1 HIS 516 1HD HIS 516 -4.920 4.051 8.159 75 HD2 HIS 516 2HD HIS 516 -3.807 7.754 6.639 76 HE1 HIS 516 1HE HIS 516 -4.625 5.539 10.165 77 HE2 HIS 516 2HE HIS 516 -3.864 7.749 9.225 78 H TYR 517 H TYR 517 -4.372 4.644 2.362 79 HA TYR 517 HA TYR 517 -1.758 4.232 1.929 80 HB2 TYR 517 2HB TYR 517 -2.243 3.854 -0.351 81 HB3 TYR 517 1HB TYR 517 -3.745 3.532 0.499 82 HD1 TYR 517 1HD TYR 517 -5.184 5.868 0.793 83 HD2 TYR 517 2HD TYR 517 -2.516 4.917 -2.380 84 HE1 TYR 517 1HE TYR 517 -6.375 7.445 -0.669 85 HE2 TYR 517 2HE TYR 517 -3.692 6.497 -3.850 86 HH TYR 517 HH TYR 517 -6.287 7.464 -3.812 87 H TRP 518 H TRP 518 -3.444 7.224 1.091 88 HA TRP 518 HA TRP 518 -1.281 8.524 -0.170 89 HB2 TRP 518 2HB TRP 518 -2.637 10.624 0.505 90 HB3 TRP 518 1HB TRP 518 -3.410 9.459 -0.569 91 HD1 TRP 518 HD TRP 518 -3.207 8.637 3.135 92 HE1 TRP 518 1HE TRP 518 -5.566 8.711 4.145 93 HE3 TRP 518 3HE TRP 518 -5.717 10.631 -0.841 94 HZ2 TRP 518 2HZ TRP 518 -8.161 9.521 3.361 95 HZ3 TRP 518 3HZ TRP 518 -8.138 11.027 -0.632 96 HH2 TRP 518 HH TRP 518 -9.332 10.482 1.427 97 H THR 519 H THR 519 0.450 7.924 1.318 98 HA THR 519 HA THR 519 1.049 10.035 3.147 99 HB THR 519 HB THR 519 -0.374 8.851 4.640 100 HG1 THR 519 1HG THR 519 2.262 8.001 5.232 101 HG21 THR 519 3HG2 THR 519 1.118 6.306 4.522 102 HG22 THR 519 1HG2 THR 519 -0.052 6.636 3.242 103 HG23 THR 519 2HG2 THR 519 -0.570 6.622 4.930 104 H THR 520 H THR 520 1.791 6.620 2.568 105 HA THR 520 HA THR 520 4.611 7.358 2.202 106 HB THR 520 HB THR 520 4.224 6.063 4.293 107 HG1 THR 520 1HG THR 520 6.203 5.690 3.564 108 HG21 THR 520 3HG2 THR 520 3.847 3.567 3.937 109 HG22 THR 520 1HG2 THR 520 3.128 4.026 2.393 110 HG23 THR 520 2HG2 THR 520 2.437 4.625 3.901 111 H GLN 521 H GLN 521 1.858 6.355 0.716 112 HA GLN 521 HA GLN 521 3.231 4.635 -1.175 113 HB2 GLN 521 2HB GLN 521 1.239 3.624 -1.653 114 HB3 GLN 521 1HB GLN 521 0.875 4.178 -0.027 115 HG2 GLN 521 2HG GLN 521 -0.995 4.792 -1.210 116 HG3 GLN 521 1HG GLN 521 -0.053 6.279 -1.192 117 HE21 GLN 521 1HE2 GLN 521 -0.406 7.265 -3.024 118 HE22 GLN 521 2HE2 GLN 521 -0.328 6.562 -4.599 119 H ASP 522 H ASP 522 1.440 7.590 -0.917 120 HA ASP 522 HA ASP 522 1.850 8.244 -3.724 121 HB2 ASP 522 2HB ASP 522 -0.160 8.872 -1.877 122 HB3 ASP 522 1HB ASP 522 0.693 10.386 -2.155 123 H GLU 523 H GLU 523 3.644 8.357 -1.083 124 HA GLU 523 HA GLU 523 5.210 10.645 -2.018 125 HB2 GLU 523 2HB GLU 523 5.121 10.166 0.916 126 HB3 GLU 523 1HB GLU 523 5.332 11.672 0.031 127 HG2 GLU 523 2HG GLU 523 2.827 11.212 -0.648 128 HG3 GLU 523 1HG GLU 523 2.843 10.280 0.850 129 H GLY 524 H GLY 524 4.952 7.530 -0.594 130 HA2 GLY 524 2HA GLY 524 7.881 7.248 -0.607 131 HA3 GLY 524 1HA GLY 524 6.800 6.317 0.422 132 H ALA 525 H ALA 525 4.854 6.065 -1.854 133 HA ALA 525 HA ALA 525 6.279 3.910 -3.265 134 HB1 ALA 525 1HB ALA 525 3.292 4.188 -2.959 135 HB2 ALA 525 2HB ALA 525 4.309 3.289 -1.833 136 HB3 ALA 525 3HB ALA 525 4.195 2.778 -3.518 137 H ALA 526 H ALA 526 6.177 6.793 -3.898 138 HA ALA 526 HA ALA 526 5.369 6.526 -6.698 139 HB1 ALA 526 1HB ALA 526 3.462 7.582 -5.833 140 HB2 ALA 526 2HB ALA 526 4.421 8.877 -6.552 141 HB3 ALA 526 3HB ALA 526 4.422 8.646 -4.804 142 H ILE 527 H ILE 527 7.705 7.368 -4.525 143 HA ILE 527 HA ILE 527 9.226 8.789 -6.551 144 HB ILE 527 HB ILE 527 9.921 10.227 -4.326 145 HG12 ILE 527 2HG1 ILE 527 7.705 9.090 -3.392 146 HG13 ILE 527 1HG1 ILE 527 8.129 10.749 -2.986 147 HG21 ILE 527 1HG2 ILE 527 8.423 12.028 -5.416 148 HG22 ILE 527 2HG2 ILE 527 8.108 10.793 -6.635 149 HG23 ILE 527 3HG2 ILE 527 9.757 11.345 -6.345 150 HD11 ILE 527 3HD1 ILE 527 6.411 11.613 -4.177 151 HD12 ILE 527 1HD1 ILE 527 5.715 10.033 -3.821 152 HD13 ILE 527 2HD1 ILE 527 6.460 10.335 -5.391 153 H GLY 528 H GLY 528 9.130 7.353 -3.314 154 HA2 GLY 528 2HA GLY 528 11.958 7.117 -3.050 155 HA3 GLY 528 1HA GLY 528 10.752 6.296 -2.070 156 H LEU 529 H LEU 529 10.507 4.155 -2.334 157 HA LEU 529 HA LEU 529 11.425 2.960 -4.847 158 HB2 LEU 529 2HB LEU 529 12.838 2.828 -2.417 159 HB3 LEU 529 1HB LEU 529 12.133 1.242 -2.663 160 HG LEU 529 HG LEU 529 13.153 1.325 -5.005 161 HD11 LEU 529 1HD1 LEU 529 13.692 3.920 -4.361 162 HD12 LEU 529 2HD1 LEU 529 14.491 3.003 -5.639 163 HD13 LEU 529 3HD1 LEU 529 15.241 3.135 -4.048 164 HD21 LEU 529 3HD2 LEU 529 14.005 -0.059 -3.154 165 HD22 LEU 529 1HD2 LEU 529 15.021 1.286 -2.638 166 HD23 LEU 529 2HD2 LEU 529 15.294 0.526 -4.206 167 H ALA 530 H ALA 530 9.312 2.558 -5.420 168 HA ALA 530 HA ALA 530 7.940 0.447 -3.873 169 HB1 ALA 530 1HB ALA 530 6.028 1.639 -5.513 170 HB2 ALA 530 2HB ALA 530 6.960 2.981 -4.853 171 HB3 ALA 530 3HB ALA 530 6.190 1.825 -3.767 172 H TRP 531 H TRP 531 9.222 1.506 -6.842 173 HA TRP 531 HA TRP 531 7.907 -0.270 -8.631 174 HB2 TRP 531 2HB TRP 531 10.349 0.405 -9.791 175 HB3 TRP 531 1HB TRP 531 8.841 1.295 -9.973 176 HD1 TRP 531 HD TRP 531 12.087 1.349 -7.915 177 HE1 TRP 531 1HE TRP 531 12.392 3.706 -6.940 178 HE3 TRP 531 3HE TRP 531 7.658 3.418 -9.403 179 HZ2 TRP 531 2HZ TRP 531 10.952 6.140 -6.834 180 HZ3 TRP 531 3HZ TRP 531 7.195 5.763 -8.824 181 HH2 TRP 531 HH TRP 531 8.803 7.098 -7.562 182 H ILE 532 H ILE 532 10.246 -0.728 -6.252 183 HA ILE 532 HA ILE 532 11.608 -2.913 -7.588 184 HB ILE 532 HB ILE 532 13.088 -3.008 -5.777 185 HG12 ILE 532 2HG1 ILE 532 11.435 -3.122 -3.957 186 HG13 ILE 532 1HG1 ILE 532 12.701 -1.957 -3.597 187 HG21 ILE 532 1HG2 ILE 532 13.523 -1.046 -7.020 188 HG22 ILE 532 2HG2 ILE 532 13.667 -0.597 -5.320 189 HG23 ILE 532 3HG2 ILE 532 12.218 -0.164 -6.227 190 HD11 ILE 532 3HD1 ILE 532 11.083 -0.206 -4.519 191 HD12 ILE 532 1HD1 ILE 532 10.749 -0.898 -2.933 192 HD13 ILE 532 2HD1 ILE 532 9.853 -1.456 -4.345 193 HA PRO 533 HA PRO 533 8.701 -5.848 -5.896 194 HB2 PRO 533 2HB PRO 533 9.585 -8.023 -7.149 195 HB3 PRO 533 1HB PRO 533 8.832 -6.699 -8.047 196 HG2 PRO 533 2HG PRO 533 11.727 -7.380 -7.745 197 HG3 PRO 533 1HG PRO 533 10.851 -6.824 -9.181 198 HD2 PRO 533 2HD PRO 533 12.375 -5.212 -7.508 199 HD3 PRO 533 1HD PRO 533 11.124 -4.632 -8.624 200 H TYR 534 H TYR 534 11.460 -5.266 -4.500 201 HA TYR 534 HA TYR 534 11.574 -7.862 -3.110 202 HB2 TYR 534 2HB TYR 534 13.943 -7.284 -2.541 203 HB3 TYR 534 1HB TYR 534 13.646 -7.596 -4.246 204 HD1 TYR 534 2HD TYR 534 13.703 -4.701 -1.873 205 HD2 TYR 534 1HD TYR 534 14.613 -6.159 -5.765 206 HE1 TYR 534 2HE TYR 534 14.734 -2.542 -2.434 207 HE2 TYR 534 1HE TYR 534 15.649 -4.003 -6.336 208 HH TYR 534 HH TYR 534 16.326 -1.608 -3.978 209 H PHE 535 H PHE 535 10.781 -4.620 -2.769 210 HA PHE 535 HA PHE 535 11.437 -4.534 0.073 211 HB2 PHE 535 2HB PHE 535 10.869 -2.553 -1.995 212 HB3 PHE 535 1HB PHE 535 10.019 -2.226 -0.491 213 HD1 PHE 535 1HD PHE 535 12.022 -3.251 1.461 214 HD2 PHE 535 2HD PHE 535 12.492 -0.883 -2.043 215 HE1 PHE 535 1HE PHE 535 14.073 -2.272 2.401 216 HE2 PHE 535 2HE PHE 535 14.545 0.097 -1.113 217 HZ PHE 535 HZ PHE 535 15.339 -0.597 1.114 218 H GLY 536 H GLY 536 9.316 -6.285 -1.226 219 HA2 GLY 536 2HA GLY 536 6.745 -5.419 -0.657 220 HA3 GLY 536 1HA GLY 536 7.258 -7.095 -0.615 221 HA PRO 537 HA PRO 537 6.140 -6.783 3.696 222 HB2 PRO 537 2HB PRO 537 7.294 -9.430 4.076 223 HB3 PRO 537 1HB PRO 537 5.601 -8.935 4.132 224 HG2 PRO 537 2HG PRO 537 6.624 -10.490 2.155 225 HG3 PRO 537 1HG PRO 537 5.261 -9.384 1.911 226 HD2 PRO 537 2HD PRO 537 8.148 -9.024 1.199 227 HD3 PRO 537 1HD PRO 537 6.694 -8.585 0.277 228 H ALA 538 H ALA 538 9.269 -6.904 2.476 229 HA ALA 538 HA ALA 538 10.650 -7.246 4.980 230 HB1 ALA 538 1HB ALA 538 11.595 -7.932 2.777 231 HB2 ALA 538 2HB ALA 538 12.661 -6.905 3.737 232 HB3 ALA 538 3HB ALA 538 11.768 -6.222 2.377 233 H ALA 539 H ALA 539 9.343 -4.589 3.169 234 HA ALA 539 HA ALA 539 10.828 -2.652 4.784 235 HB1 ALA 539 1HB ALA 539 10.926 -1.743 2.727 236 HB2 ALA 539 2HB ALA 539 9.328 -1.127 3.148 237 HB3 ALA 539 3HB ALA 539 9.481 -2.589 2.177 238 H GLU 540 H GLU 540 7.731 -4.061 4.388 239 HA GLU 540 HA GLU 540 5.786 -2.491 5.154 240 HB2 GLU 540 2HB GLU 540 6.479 -5.237 5.729 241 HB3 GLU 540 1HB GLU 540 5.440 -4.553 6.974 242 HG2 GLU 540 2HG GLU 540 4.726 -4.161 4.113 243 HG3 GLU 540 1HG GLU 540 4.434 -5.727 4.866 244 H GLY 541 H GLY 541 6.356 -0.619 6.295 245 HA2 GLY 541 2HA GLY 541 5.750 0.097 8.604 246 HA3 GLY 541 1HA GLY 541 6.951 -1.053 9.152 247 H ILE 542 H ILE 542 8.449 0.091 6.562 248 HA ILE 542 HA ILE 542 9.754 2.199 8.133 249 HB ILE 542 HB ILE 542 10.864 1.060 5.592 250 HG12 ILE 542 2HG1 ILE 542 11.846 -0.063 8.145 251 HG13 ILE 542 1HG1 ILE 542 10.242 -0.598 7.647 252 HG21 ILE 542 1HG2 ILE 542 11.931 2.567 7.944 253 HG22 ILE 542 2HG2 ILE 542 12.091 2.919 6.223 254 HG23 ILE 542 3HG2 ILE 542 13.005 1.592 6.940 255 HD11 ILE 542 3HD1 ILE 542 11.464 -2.169 6.594 256 HD12 ILE 542 1HD1 ILE 542 12.879 -1.127 6.439 257 HD13 ILE 542 2HD1 ILE 542 11.512 -0.926 5.342 258 H TYR 543 H TYR 543 8.158 1.590 5.070 259 HA TYR 543 HA TYR 543 7.317 4.210 4.713 260 HB2 TYR 543 2HB TYR 543 8.927 4.599 2.602 261 HB3 TYR 543 1HB TYR 543 9.299 5.201 4.211 262 HD1 TYR 543 2HD TYR 543 9.581 1.653 3.175 263 HD2 TYR 543 1HD TYR 543 11.660 5.270 4.011 264 HE1 TYR 543 2HE TYR 543 11.714 0.431 3.132 265 HE2 TYR 543 1HE TYR 543 13.797 4.057 3.968 266 HH TYR 543 HH TYR 543 13.969 0.631 3.939 267 H ILE 544 H ILE 544 8.756 2.833 1.855 268 HA ILE 544 HA ILE 544 6.388 2.704 0.430 269 HB ILE 544 HB ILE 544 8.766 0.931 -0.097 270 HG12 ILE 544 2HG1 ILE 544 8.938 3.268 -1.658 271 HG13 ILE 544 1HG1 ILE 544 8.620 3.811 -0.012 272 HG21 ILE 544 1HG2 ILE 544 6.316 1.457 -1.473 273 HG22 ILE 544 2HG2 ILE 544 7.617 0.346 -1.900 274 HG23 ILE 544 3HG2 ILE 544 7.673 2.022 -2.448 275 HD11 ILE 544 3HD1 ILE 544 10.869 3.714 0.102 276 HD12 ILE 544 1HD1 ILE 544 10.993 2.476 -1.147 277 HD13 ILE 544 2HD1 ILE 544 10.536 2.027 0.496 278 H GLU 545 H GLU 545 8.238 -0.177 1.417 279 HA GLU 545 HA GLU 545 7.551 -2.171 2.302 280 HB2 GLU 545 2HB GLU 545 4.683 -1.264 2.184 281 HB3 GLU 545 1HB GLU 545 5.403 -2.490 3.220 282 HG2 GLU 545 2HG GLU 545 6.544 -0.821 4.507 283 HG3 GLU 545 1HG GLU 545 6.030 0.447 3.404 284 H GLY 546 H GLY 546 7.398 -1.186 -0.620 285 HA2 GLY 546 2HA GLY 546 7.187 -2.319 -2.615 286 HA3 GLY 546 1HA GLY 546 6.662 -3.726 -1.706 287 H LEU 547 H LEU 547 4.384 -3.274 -0.639 288 HA LEU 547 HA LEU 547 2.183 -3.441 -1.168 289 HB2 LEU 547 2HB LEU 547 1.159 -1.219 -1.772 290 HB3 LEU 547 1HB LEU 547 2.108 -1.281 -0.303 291 HG LEU 547 HG LEU 547 3.896 -0.436 -2.297 292 HD11 LEU 547 1HD1 LEU 547 1.532 1.371 -2.428 293 HD12 LEU 547 2HD1 LEU 547 1.642 -0.005 -3.524 294 HD13 LEU 547 3HD1 LEU 547 2.902 1.227 -3.530 295 HD21 LEU 547 3HD2 LEU 547 3.257 0.231 0.238 296 HD22 LEU 547 1HD2 LEU 547 2.620 1.622 -0.640 297 HD23 LEU 547 2HD2 LEU 547 4.320 1.181 -0.800 298 H MET 548 H MET 548 3.046 -1.267 -3.859 299 HA MET 548 HA MET 548 2.983 -1.573 -6.124 300 HB2 MET 548 2HB MET 548 2.045 -4.399 -5.706 301 HB3 MET 548 1HB MET 548 2.852 -3.718 -7.110 302 HG2 MET 548 2HG MET 548 4.893 -4.007 -6.238 303 HG3 MET 548 1HG MET 548 4.382 -3.542 -4.620 304 HE1 MET 548 3HE MET 548 4.800 -6.328 -2.733 305 HE2 MET 548 1HE MET 548 3.067 -6.023 -2.860 306 HE3 MET 548 2HE MET 548 4.205 -4.678 -2.924 307 H HIS 549 H HIS 549 0.346 -2.498 -4.085 308 HA HIS 549 HA HIS 549 -1.604 -2.309 -6.225 309 HB2 HIS 549 2HB HIS 549 -3.135 -2.501 -4.009 310 HB3 HIS 549 1HB HIS 549 -2.452 -3.897 -4.835 311 HD1 HIS 549 1HD HIS 549 -0.840 -1.519 -2.338 312 HD2 HIS 549 2HD HIS 549 -1.681 -5.555 -2.836 313 HE1 HIS 549 1HE HIS 549 0.272 -2.675 -0.408 314 HE2 HIS 549 2HE HIS 549 -0.353 -5.105 -0.662 315 H ASN 550 H ASN 550 -0.265 -0.343 -3.719 316 HA ASN 550 HA ASN 550 -0.504 1.871 -3.221 317 HB2 ASN 550 2HB ASN 550 -2.313 1.945 -5.651 318 HB3 ASN 550 1HB ASN 550 -1.667 3.347 -4.809 319 HD21 ASN 550 1HD2 ASN 550 -0.948 0.676 -6.907 320 HD22 ASN 550 2HD2 ASN 550 0.603 1.234 -7.422 321 H GLN 551 H GLN 551 -3.078 -0.316 -3.241 322 HA GLN 551 HA GLN 551 -4.891 -0.521 -1.923 323 HB2 GLN 551 2HB GLN 551 -4.187 2.132 -0.694 324 HB3 GLN 551 1HB GLN 551 -5.157 0.840 -0.003 325 HG2 GLN 551 2HG GLN 551 -3.296 -0.540 0.323 326 HG3 GLN 551 1HG GLN 551 -2.273 0.464 -0.701 327 HE21 GLN 551 1HE2 GLN 551 -3.954 0.302 2.373 328 HE22 GLN 551 2HE2 GLN 551 -2.977 1.471 3.186 329 H ASP 552 H ASP 552 -6.808 -0.354 -2.662 330 HA ASP 552 HA ASP 552 -8.056 2.181 -3.260 331 HB2 ASP 552 2HB ASP 552 -6.732 1.113 -5.342 332 HB3 ASP 552 1HB ASP 552 -8.260 0.253 -5.505 333 H GLY 553 H GLY 553 -8.938 0.838 -1.260 334 HA2 GLY 553 2HA GLY 553 -10.861 -0.067 -0.381 335 HA3 GLY 553 1HA GLY 553 -11.548 -0.026 -1.999 336 H LEU 554 H LEU 554 -8.843 -1.768 -0.465 337 HA LEU 554 HA LEU 554 -9.889 -4.245 -1.658 338 HB2 LEU 554 2HB LEU 554 -7.096 -3.730 -0.648 339 HB3 LEU 554 1HB LEU 554 -7.648 -5.111 -1.580 340 HG LEU 554 HG LEU 554 -7.350 -2.269 -2.546 341 HD11 LEU 554 1HD1 LEU 554 -5.434 -4.124 -2.328 342 HD12 LEU 554 2HD1 LEU 554 -5.484 -2.938 -3.631 343 HD13 LEU 554 3HD1 LEU 554 -6.092 -4.571 -3.901 344 HD21 LEU 554 3HD2 LEU 554 -7.966 -3.421 -4.783 345 HD22 LEU 554 1HD2 LEU 554 -9.256 -2.940 -3.679 346 HD23 LEU 554 2HD2 LEU 554 -8.742 -4.626 -3.753 347 H ILE 555 H ILE 555 -8.884 -2.720 1.314 348 HA ILE 555 HA ILE 555 -9.464 -5.201 2.778 349 HB ILE 555 HB ILE 555 -8.476 -3.425 4.661 350 HG12 ILE 555 2HG1 ILE 555 -7.779 -1.955 2.732 351 HG13 ILE 555 1HG1 ILE 555 -6.474 -2.444 3.804 352 HG21 ILE 555 1HG2 ILE 555 -8.045 -5.873 4.335 353 HG22 ILE 555 2HG2 ILE 555 -6.643 -4.921 4.823 354 HG23 ILE 555 3HG2 ILE 555 -6.824 -5.427 3.143 355 HD11 ILE 555 3HD1 ILE 555 -6.375 -2.571 1.109 356 HD12 ILE 555 1HD1 ILE 555 -6.903 -4.208 1.502 357 HD13 ILE 555 2HD1 ILE 555 -5.409 -3.573 2.192 358 H CYS 556 H CYS 556 -10.648 -2.052 2.126 359 HA CYS 556 HA CYS 556 -12.314 -1.948 4.495 360 HB2 CYS 556 2HB CYS 556 -11.214 0.031 3.087 361 HB3 CYS 556 1HB CYS 556 -12.730 -0.079 2.210 362 H GLY 557 H GLY 557 -12.514 -3.977 2.210 363 HA2 GLY 557 2HA GLY 557 -15.218 -4.520 2.390 364 HA3 GLY 557 1HA GLY 557 -14.973 -3.599 0.906 365 H LEU 558 H LEU 558 -14.949 -4.943 -0.736 366 HA LEU 558 HA LEU 558 -12.996 -7.071 -0.792 367 HB2 LEU 558 2HB LEU 558 -15.649 -7.991 -1.689 368 HB3 LEU 558 1HB LEU 558 -14.366 -8.870 -0.882 369 HG LEU 558 HG LEU 558 -16.061 -6.894 0.618 370 HD11 LEU 558 1HD1 LEU 558 -16.689 -9.822 0.441 371 HD12 LEU 558 2HD1 LEU 558 -17.451 -8.627 -0.611 372 HD13 LEU 558 3HD1 LEU 558 -17.660 -8.524 1.138 373 HD21 LEU 558 3HD2 LEU 558 -13.842 -8.459 1.285 374 HD22 LEU 558 1HD2 LEU 558 -15.225 -9.273 2.017 375 HD23 LEU 558 2HD2 LEU 558 -14.897 -7.578 2.390 376 H ARG 559 H ARG 559 -15.543 -5.255 -2.399 377 HA ARG 559 HA ARG 559 -13.979 -5.350 -4.872 378 HB2 ARG 559 2HB ARG 559 -16.287 -5.436 -6.065 379 HB3 ARG 559 1HB ARG 559 -15.573 -6.927 -5.468 380 HG2 ARG 559 2HG ARG 559 -17.138 -7.194 -3.845 381 HG3 ARG 559 1HG ARG 559 -17.383 -5.459 -3.641 382 HD2 ARG 559 2HD ARG 559 -18.253 -5.889 -6.203 383 HD3 ARG 559 1HD ARG 559 -18.758 -7.362 -5.377 384 HE ARG 559 HE ARG 559 -19.814 -4.712 -5.005 385 HH11 ARG 559 1HH1 ARG 559 -19.405 -7.863 -3.561 386 HH12 ARG 559 2HH1 ARG 559 -20.759 -7.688 -2.496 387 HH21 ARG 559 1HH2 ARG 559 -21.595 -4.480 -3.605 388 HH22 ARG 559 2HH2 ARG 559 -22.002 -5.767 -2.520 389 H GLN 560 H GLN 560 -14.037 -3.302 -2.986 390 HA GLN 560 HA GLN 560 -15.836 -1.268 -3.177 391 HB2 GLN 560 2HB GLN 560 -12.823 -1.063 -3.081 392 HB3 GLN 560 1HB GLN 560 -13.899 0.304 -2.841 393 HG2 GLN 560 2HG GLN 560 -13.349 -2.016 -1.062 394 HG3 GLN 560 1HG GLN 560 -13.435 -0.296 -0.679 395 HE21 GLN 560 1HE2 GLN 560 -15.323 -3.158 -1.418 396 HE22 GLN 560 2HE2 GLN 560 -16.783 -2.625 -0.667 Start of MODEL 4 1 H1 ALA 507 1HT ALA 507 -10.197 -9.044 -1.709 2 H2 ALA 507 2HT ALA 507 -8.575 -9.569 -1.508 3 H3 ALA 507 3HT ALA 507 -9.231 -8.378 -0.460 4 HA ALA 507 HA ALA 507 -10.943 -10.144 0.091 5 HB1 ALA 507 2HB ALA 507 -10.632 -11.932 -1.263 6 HB2 ALA 507 3HB ALA 507 -9.503 -12.394 0.011 7 HB3 ALA 507 1HB ALA 507 -8.907 -11.624 -1.459 8 H GLN 508 H GLN 508 -10.239 -8.681 1.819 9 HA GLN 508 HA GLN 508 -8.987 -10.049 3.914 10 HB2 GLN 508 2HB GLN 508 -6.977 -8.455 4.111 11 HB3 GLN 508 1HB GLN 508 -6.871 -9.778 2.958 12 HG2 GLN 508 2HG GLN 508 -7.530 -8.205 1.164 13 HG3 GLN 508 1HG GLN 508 -7.487 -6.898 2.345 14 HE21 GLN 508 1HE2 GLN 508 -5.304 -7.199 3.741 15 HE22 GLN 508 2HE2 GLN 508 -3.885 -7.216 2.756 16 HA PRO 509 HA PRO 509 -11.165 -6.578 5.728 17 HB2 PRO 509 2HB PRO 509 -11.639 -7.612 8.086 18 HB3 PRO 509 1HB PRO 509 -12.285 -8.440 6.658 19 HG2 PRO 509 2HG PRO 509 -9.782 -9.029 8.199 20 HG3 PRO 509 1HG PRO 509 -11.067 -10.158 7.719 21 HD2 PRO 509 2HD PRO 509 -8.733 -9.784 6.303 22 HD3 PRO 509 1HD PRO 509 -10.254 -10.336 5.570 23 H LYS 510 H LYS 510 -9.987 -4.829 6.145 24 HA LYS 510 HA LYS 510 -8.464 -4.659 8.593 25 HB2 LYS 510 2HB LYS 510 -7.193 -4.628 5.914 26 HB3 LYS 510 1HB LYS 510 -6.610 -3.456 7.088 27 HG2 LYS 510 2HG LYS 510 -5.914 -5.145 8.577 28 HG3 LYS 510 1HG LYS 510 -6.801 -6.390 7.696 29 HD2 LYS 510 2HD LYS 510 -5.083 -5.237 5.818 30 HD3 LYS 510 1HD LYS 510 -4.119 -5.407 7.286 31 HE2 LYS 510 2HE LYS 510 -5.806 -7.710 6.486 32 HE3 LYS 510 1HE LYS 510 -4.383 -7.370 5.502 33 HZ1 LYS 510 3HZ LYS 510 -3.061 -7.416 7.573 34 HZ2 LYS 510 1HZ LYS 510 -3.789 -8.900 7.215 35 HZ3 LYS 510 2HZ LYS 510 -4.439 -7.907 8.419 36 H CYS 511 H CYS 511 -9.226 -3.011 5.604 37 HA CYS 511 HA CYS 511 -10.201 -1.027 5.152 38 HB2 CYS 511 2HB CYS 511 -10.913 -1.387 7.951 39 HB3 CYS 511 1HB CYS 511 -10.780 0.305 7.489 40 H ASN 512 H ASN 512 -7.562 -1.217 5.062 41 HA ASN 512 HA ASN 512 -6.752 1.485 5.847 42 HB2 ASN 512 2HB ASN 512 -5.664 -0.063 7.388 43 HB3 ASN 512 1HB ASN 512 -5.046 -1.007 6.040 44 HD21 ASN 512 1HD2 ASN 512 -5.139 2.484 5.963 45 HD22 ASN 512 2HD2 ASN 512 -3.434 2.720 6.083 46 HA PRO 513 HA PRO 513 -5.590 0.284 1.416 47 HB2 PRO 513 2HB PRO 513 -7.770 0.491 -0.073 48 HB3 PRO 513 1HB PRO 513 -7.491 -0.950 0.904 49 HG2 PRO 513 2HG PRO 513 -9.271 1.392 1.462 50 HG3 PRO 513 1HG PRO 513 -9.587 -0.335 1.698 51 HD2 PRO 513 2HD PRO 513 -8.757 1.415 3.686 52 HD3 PRO 513 1HD PRO 513 -8.591 -0.349 3.735 53 H ASN 514 H ASN 514 -8.153 2.224 0.237 54 HA ASN 514 HA ASN 514 -6.312 4.352 -0.343 55 HB2 ASN 514 2HB ASN 514 -7.906 5.122 -1.901 56 HB3 ASN 514 1HB ASN 514 -8.000 3.364 -1.963 57 HD21 ASN 514 1HD2 ASN 514 -9.997 2.693 -2.175 58 HD22 ASN 514 2HD2 ASN 514 -11.400 3.389 -1.448 59 H LEU 515 H LEU 515 -7.464 3.910 2.453 60 HA LEU 515 HA LEU 515 -8.718 6.533 2.813 61 HB2 LEU 515 2HB LEU 515 -8.583 4.140 4.646 62 HB3 LEU 515 1HB LEU 515 -9.300 5.679 5.086 63 HG LEU 515 HG LEU 515 -11.165 4.463 4.476 64 HD11 LEU 515 1HD1 LEU 515 -11.105 6.529 3.183 65 HD12 LEU 515 2HD1 LEU 515 -11.913 5.245 2.282 66 HD13 LEU 515 3HD1 LEU 515 -10.256 5.701 1.878 67 HD21 LEU 515 3HD2 LEU 515 -10.984 3.123 2.174 68 HD22 LEU 515 1HD2 LEU 515 -10.529 2.415 3.725 69 HD23 LEU 515 2HD2 LEU 515 -9.287 3.069 2.657 70 H HIS 516 H HIS 516 -5.825 4.798 3.303 71 HA HIS 516 HA HIS 516 -4.726 7.068 4.807 72 HB2 HIS 516 2HB HIS 516 -5.079 4.628 5.953 73 HB3 HIS 516 1HB HIS 516 -3.454 4.453 5.298 74 HD1 HIS 516 1HD HIS 516 -4.114 4.591 8.369 75 HD2 HIS 516 2HD HIS 516 -2.792 7.762 6.032 76 HE1 HIS 516 1HE HIS 516 -3.050 6.209 9.973 77 HE2 HIS 516 2HE HIS 516 -2.175 8.076 8.524 78 H TYR 517 H TYR 517 -4.504 4.948 2.149 79 HA TYR 517 HA TYR 517 -1.935 4.570 1.493 80 HB2 TYR 517 2HB TYR 517 -2.562 4.626 -0.812 81 HB3 TYR 517 1HB TYR 517 -3.960 4.069 0.091 82 HD1 TYR 517 1HD TYR 517 -5.547 6.125 0.879 83 HD2 TYR 517 2HD TYR 517 -2.981 6.121 -2.512 84 HE1 TYR 517 1HE TYR 517 -6.931 7.872 -0.159 85 HE2 TYR 517 2HE TYR 517 -4.353 7.873 -3.559 86 HH TYR 517 HH TYR 517 -6.573 8.786 -3.448 87 H TRP 518 H TRP 518 -3.604 7.662 0.921 88 HA TRP 518 HA TRP 518 -1.436 9.094 -0.118 89 HB2 TRP 518 2HB TRP 518 -2.783 11.099 0.838 90 HB3 TRP 518 1HB TRP 518 -3.542 10.098 -0.398 91 HD1 TRP 518 HD TRP 518 -3.391 8.751 3.151 92 HE1 TRP 518 1HE TRP 518 -5.762 8.688 4.131 93 HE3 TRP 518 3HE TRP 518 -5.843 11.318 -0.522 94 HZ2 TRP 518 2HZ TRP 518 -8.344 9.617 3.442 95 HZ3 TRP 518 3HZ TRP 518 -8.264 11.689 -0.287 96 HH2 TRP 518 HH TRP 518 -9.488 10.855 1.654 97 H THR 519 H THR 519 0.370 8.463 1.224 98 HA THR 519 HA THR 519 1.016 10.323 3.234 99 HB THR 519 HB THR 519 -0.573 9.099 4.593 100 HG1 THR 519 1HG THR 519 2.089 8.420 5.294 101 HG21 THR 519 3HG2 THR 519 -0.215 6.919 3.241 102 HG22 THR 519 1HG2 THR 519 -0.626 6.841 4.957 103 HG23 THR 519 2HG2 THR 519 1.045 6.608 4.439 104 H THR 520 H THR 520 1.533 6.916 2.422 105 HA THR 520 HA THR 520 4.407 7.462 2.162 106 HB THR 520 HB THR 520 3.983 6.102 4.166 107 HG1 THR 520 1HG THR 520 5.847 5.659 2.899 108 HG21 THR 520 3HG2 THR 520 2.448 4.397 2.268 109 HG22 THR 520 1HG2 THR 520 2.048 4.899 3.911 110 HG23 THR 520 2HG2 THR 520 3.275 3.661 3.641 111 H GLN 521 H GLN 521 1.639 6.826 0.575 112 HA GLN 521 HA GLN 521 2.834 5.050 -1.382 113 HB2 GLN 521 2HB GLN 521 0.716 4.373 -1.992 114 HB3 GLN 521 1HB GLN 521 0.462 4.752 -0.295 115 HG2 GLN 521 2HG GLN 521 -1.323 5.808 -1.206 116 HG3 GLN 521 1HG GLN 521 -0.148 7.117 -1.256 117 HE21 GLN 521 1HE2 GLN 521 -0.280 8.196 -3.038 118 HE22 GLN 521 2HE2 GLN 521 -0.578 7.568 -4.617 119 H ASP 522 H ASP 522 1.533 8.213 -0.923 120 HA ASP 522 HA ASP 522 2.048 8.966 -3.700 121 HB2 ASP 522 2HB ASP 522 0.055 9.722 -1.864 122 HB3 ASP 522 1HB ASP 522 1.075 11.141 -2.068 123 H GLU 523 H GLU 523 3.700 8.731 -0.968 124 HA GLU 523 HA GLU 523 5.556 10.878 -1.689 125 HB2 GLU 523 2HB GLU 523 5.299 10.219 1.196 126 HB3 GLU 523 1HB GLU 523 5.676 11.754 0.426 127 HG2 GLU 523 2HG GLU 523 3.158 11.569 -0.352 128 HG3 GLU 523 1HG GLU 523 3.045 10.549 1.082 129 H GLY 524 H GLY 524 4.896 7.715 -0.529 130 HA2 GLY 524 2HA GLY 524 7.772 7.111 -0.444 131 HA3 GLY 524 1HA GLY 524 6.554 6.245 0.485 132 H ALA 525 H ALA 525 4.684 6.340 -1.867 133 HA ALA 525 HA ALA 525 5.935 4.139 -3.372 134 HB1 ALA 525 1HB ALA 525 3.854 3.650 -2.041 135 HB2 ALA 525 2HB ALA 525 3.761 3.246 -3.755 136 HB3 ALA 525 3HB ALA 525 2.984 4.710 -3.150 137 H ALA 526 H ALA 526 6.120 7.067 -3.795 138 HA ALA 526 HA ALA 526 5.415 7.062 -6.634 139 HB1 ALA 526 1HB ALA 526 4.663 9.458 -6.382 140 HB2 ALA 526 2HB ALA 526 4.619 9.160 -4.643 141 HB3 ALA 526 3HB ALA 526 3.581 8.230 -5.725 142 H ILE 527 H ILE 527 7.727 7.534 -4.319 143 HA ILE 527 HA ILE 527 9.468 8.904 -6.193 144 HB ILE 527 HB ILE 527 10.188 10.167 -3.879 145 HG12 ILE 527 2HG1 ILE 527 7.851 9.181 -3.077 146 HG13 ILE 527 1HG1 ILE 527 8.400 10.776 -2.571 147 HG21 ILE 527 1HG2 ILE 527 9.252 12.183 -4.893 148 HG22 ILE 527 2HG2 ILE 527 8.292 11.186 -5.987 149 HG23 ILE 527 3HG2 ILE 527 10.052 11.167 -6.093 150 HD11 ILE 527 3HD1 ILE 527 6.788 11.836 -3.739 151 HD12 ILE 527 1HD1 ILE 527 5.967 10.287 -3.546 152 HD13 ILE 527 2HD1 ILE 527 6.809 10.658 -5.052 153 H GLY 528 H GLY 528 9.170 7.563 -2.910 154 HA2 GLY 528 2HA GLY 528 11.922 6.922 -2.639 155 HA3 GLY 528 1HA GLY 528 10.612 6.280 -1.658 156 H LEU 529 H LEU 529 9.565 4.352 -2.304 157 HA LEU 529 HA LEU 529 10.796 2.935 -4.553 158 HB2 LEU 529 2HB LEU 529 11.134 2.303 -1.742 159 HB3 LEU 529 1HB LEU 529 10.452 0.956 -2.634 160 HG LEU 529 HG LEU 529 12.358 1.191 -4.264 161 HD11 LEU 529 1HD1 LEU 529 13.018 3.356 -2.373 162 HD12 LEU 529 2HD1 LEU 529 13.378 3.197 -4.092 163 HD13 LEU 529 3HD1 LEU 529 14.360 2.343 -2.902 164 HD21 LEU 529 3HD2 LEU 529 13.511 -0.351 -3.103 165 HD22 LEU 529 1HD2 LEU 529 12.171 -0.220 -1.964 166 HD23 LEU 529 2HD2 LEU 529 13.661 0.679 -1.680 167 H ALA 530 H ALA 530 9.647 0.576 -4.470 168 HA ALA 530 HA ALA 530 7.322 -0.328 -3.926 169 HB1 ALA 530 1HB ALA 530 6.705 2.193 -5.451 170 HB2 ALA 530 2HB ALA 530 6.090 1.693 -3.877 171 HB3 ALA 530 3HB ALA 530 5.566 0.853 -5.335 172 H TRP 531 H TRP 531 9.072 0.994 -6.577 173 HA TRP 531 HA TRP 531 8.035 -0.674 -8.642 174 HB2 TRP 531 2HB TRP 531 10.557 0.122 -9.480 175 HB3 TRP 531 1HB TRP 531 9.060 1.005 -9.757 176 HD1 TRP 531 HD TRP 531 12.117 0.981 -7.436 177 HE1 TRP 531 1HE TRP 531 12.288 3.275 -6.293 178 HE3 TRP 531 3HE TRP 531 7.754 3.051 -9.110 179 HZ2 TRP 531 2HZ TRP 531 10.780 5.662 -6.129 180 HZ3 TRP 531 3HZ TRP 531 7.190 5.342 -8.414 181 HH2 TRP 531 HH TRP 531 8.669 6.622 -6.952 182 H ILE 532 H ILE 532 10.145 -1.215 -6.051 183 HA ILE 532 HA ILE 532 11.624 -3.339 -7.379 184 HB ILE 532 HB ILE 532 12.991 -3.493 -5.478 185 HG12 ILE 532 2HG1 ILE 532 11.149 -3.566 -3.789 186 HG13 ILE 532 1HG1 ILE 532 12.513 -2.567 -3.304 187 HG21 ILE 532 1HG2 ILE 532 13.508 -1.517 -6.679 188 HG22 ILE 532 2HG2 ILE 532 13.592 -1.109 -4.965 189 HG23 ILE 532 3HG2 ILE 532 12.188 -0.627 -5.918 190 HD11 ILE 532 3HD1 ILE 532 11.150 -0.609 -4.232 191 HD12 ILE 532 1HD1 ILE 532 10.664 -1.317 -2.693 192 HD13 ILE 532 2HD1 ILE 532 9.782 -1.721 -4.166 193 HA PRO 533 HA PRO 533 8.674 -6.351 -5.936 194 HB2 PRO 533 2HB PRO 533 9.716 -8.507 -7.098 195 HB3 PRO 533 1HB PRO 533 9.025 -7.197 -8.065 196 HG2 PRO 533 2HG PRO 533 11.892 -7.819 -7.487 197 HG3 PRO 533 1HG PRO 533 11.146 -7.280 -9.002 198 HD2 PRO 533 2HD PRO 533 12.469 -5.637 -7.192 199 HD3 PRO 533 1HD PRO 533 11.317 -5.084 -8.423 200 H TYR 534 H TYR 534 11.052 -5.658 -4.147 201 HA TYR 534 HA TYR 534 11.071 -8.225 -2.729 202 HB2 TYR 534 2HB TYR 534 13.465 -7.731 -2.051 203 HB3 TYR 534 1HB TYR 534 13.212 -8.233 -3.717 204 HD1 TYR 534 1HD TYR 534 13.651 -5.196 -1.608 205 HD2 TYR 534 2HD TYR 534 14.066 -6.947 -5.463 206 HE1 TYR 534 1HE TYR 534 14.861 -3.200 -2.377 207 HE2 TYR 534 2HE TYR 534 15.275 -4.953 -6.244 208 HH TYR 534 HH TYR 534 16.485 -2.596 -4.143 209 H PHE 535 H PHE 535 10.084 -5.157 -2.550 210 HA PHE 535 HA PHE 535 10.897 -4.669 0.210 211 HB2 PHE 535 2HB PHE 535 9.952 -3.032 -2.005 212 HB3 PHE 535 1HB PHE 535 9.111 -2.664 -0.503 213 HD1 PHE 535 2HD PHE 535 12.622 -3.455 -1.499 214 HD2 PHE 535 1HD PHE 535 9.987 -0.892 0.642 215 HE1 PHE 535 2HE PHE 535 14.541 -2.100 -0.771 216 HE2 PHE 535 1HE PHE 535 11.902 0.469 1.377 217 HZ PHE 535 HZ PHE 535 14.183 -0.135 0.671 218 H GLY 536 H GLY 536 8.936 -6.822 -0.725 219 HA2 GLY 536 2HA GLY 536 6.323 -6.226 -0.022 220 HA3 GLY 536 1HA GLY 536 7.058 -7.811 0.151 221 HA PRO 537 HA PRO 537 6.393 -7.183 4.503 222 HB2 PRO 537 2HB PRO 537 7.642 -9.363 5.452 223 HB3 PRO 537 1HB PRO 537 6.124 -9.477 4.553 224 HG2 PRO 537 2HG PRO 537 8.927 -9.940 3.608 225 HG3 PRO 537 1HG PRO 537 7.462 -10.882 3.271 226 HD2 PRO 537 2HD PRO 537 8.516 -9.045 1.540 227 HD3 PRO 537 1HD PRO 537 6.794 -9.470 1.594 228 H ALA 538 H ALA 538 9.349 -6.850 2.962 229 HA ALA 538 HA ALA 538 11.018 -6.650 5.297 230 HB1 ALA 538 1HB ALA 538 11.638 -5.675 2.517 231 HB2 ALA 538 2HB ALA 538 11.835 -7.350 3.035 232 HB3 ALA 538 3HB ALA 538 12.779 -6.071 3.802 233 H ALA 539 H ALA 539 9.086 -4.487 3.367 234 HA ALA 539 HA ALA 539 10.230 -2.148 4.701 235 HB1 ALA 539 1HB ALA 539 8.784 -2.617 2.194 236 HB2 ALA 539 2HB ALA 539 10.037 -1.438 2.582 237 HB3 ALA 539 3HB ALA 539 8.362 -1.130 3.042 238 H GLU 540 H GLU 540 7.616 -4.275 4.916 239 HA GLU 540 HA GLU 540 5.403 -2.932 5.608 240 HB2 GLU 540 2HB GLU 540 4.723 -4.815 6.837 241 HB3 GLU 540 1HB GLU 540 5.830 -5.415 5.609 242 HG2 GLU 540 2HG GLU 540 7.628 -5.281 7.417 243 HG3 GLU 540 1HG GLU 540 6.290 -5.117 8.554 244 H GLY 541 H GLY 541 5.260 -1.097 6.722 245 HA2 GLY 541 2HA GLY 541 4.884 -0.108 8.843 246 HA3 GLY 541 1HA GLY 541 6.130 -1.137 9.519 247 H ILE 542 H ILE 542 7.551 -0.082 6.807 248 HA ILE 542 HA ILE 542 8.767 2.171 8.243 249 HB ILE 542 HB ILE 542 9.866 0.858 5.770 250 HG12 ILE 542 2HG1 ILE 542 11.112 0.159 8.334 251 HG13 ILE 542 1HG1 ILE 542 9.475 -0.467 8.148 252 HG21 ILE 542 1HG2 ILE 542 11.485 2.167 7.901 253 HG22 ILE 542 2HG2 ILE 542 10.606 3.174 6.751 254 HG23 ILE 542 3HG2 ILE 542 11.805 2.018 6.173 255 HD11 ILE 542 3HD1 ILE 542 11.149 -0.841 5.799 256 HD12 ILE 542 1HD1 ILE 542 10.101 -1.975 6.648 257 HD13 ILE 542 2HD1 ILE 542 11.734 -1.671 7.243 258 H TYR 543 H TYR 543 7.193 1.304 5.228 259 HA TYR 543 HA TYR 543 6.190 3.864 4.771 260 HB2 TYR 543 2HB TYR 543 7.737 4.201 2.590 261 HB3 TYR 543 1HB TYR 543 8.088 4.935 4.149 262 HD1 TYR 543 1HD TYR 543 8.566 1.366 3.235 263 HD2 TYR 543 2HD TYR 543 10.430 5.103 4.046 264 HE1 TYR 543 1HE TYR 543 10.761 0.259 3.263 265 HE2 TYR 543 2HE TYR 543 12.629 4.007 4.076 266 HH TYR 543 HH TYR 543 13.401 1.394 2.792 267 H ILE 544 H ILE 544 7.588 2.474 1.909 268 HA ILE 544 HA ILE 544 5.149 2.126 0.635 269 HB ILE 544 HB ILE 544 7.586 0.506 -0.061 270 HG12 ILE 544 2HG1 ILE 544 7.628 2.869 -1.568 271 HG13 ILE 544 1HG1 ILE 544 7.322 3.391 0.085 272 HG21 ILE 544 1HG2 ILE 544 5.738 1.845 -1.981 273 HG22 ILE 544 2HG2 ILE 544 5.255 0.341 -1.203 274 HG23 ILE 544 3HG2 ILE 544 6.714 0.391 -2.190 275 HD11 ILE 544 3HD1 ILE 544 9.325 2.416 0.860 276 HD12 ILE 544 1HD1 ILE 544 9.730 3.290 -0.618 277 HD13 ILE 544 2HD1 ILE 544 9.562 1.533 -0.648 278 H GLU 545 H GLU 545 7.295 -0.582 1.499 279 HA GLU 545 HA GLU 545 6.851 -2.584 2.491 280 HB2 GLU 545 2HB GLU 545 3.942 -1.889 2.709 281 HB3 GLU 545 1HB GLU 545 4.889 -2.987 3.706 282 HG2 GLU 545 2HG GLU 545 5.829 -1.280 4.936 283 HG3 GLU 545 1HG GLU 545 5.581 -0.085 3.673 284 H GLY 546 H GLY 546 6.761 -2.174 -0.350 285 HA2 GLY 546 2HA GLY 546 6.367 -3.511 -2.190 286 HA3 GLY 546 1HA GLY 546 5.652 -4.693 -1.105 287 H LEU 547 H LEU 547 4.640 -1.374 -1.508 288 HA LEU 547 HA LEU 547 2.035 -2.349 -2.432 289 HB2 LEU 547 2HB LEU 547 1.043 -0.557 -1.399 290 HB3 LEU 547 1HB LEU 547 2.410 -0.831 -0.331 291 HG LEU 547 HG LEU 547 3.564 0.913 -1.945 292 HD11 LEU 547 1HD1 LEU 547 1.679 2.692 -2.324 293 HD12 LEU 547 2HD1 LEU 547 0.649 1.261 -2.399 294 HD13 LEU 547 3HD1 LEU 547 1.999 1.436 -3.521 295 HD21 LEU 547 3HD2 LEU 547 1.756 1.393 0.391 296 HD22 LEU 547 1HD2 LEU 547 2.632 2.719 -0.374 297 HD23 LEU 547 2HD2 LEU 547 3.517 1.368 0.331 298 H MET 548 H MET 548 1.498 -2.049 -4.447 299 HA MET 548 HA MET 548 2.646 0.188 -5.954 300 HB2 MET 548 2HB MET 548 2.439 -2.634 -6.998 301 HB3 MET 548 1HB MET 548 3.035 -1.238 -7.887 302 HG2 MET 548 2HG MET 548 5.069 -1.526 -7.081 303 HG3 MET 548 1HG MET 548 4.470 -1.483 -5.430 304 HE1 MET 548 3HE MET 548 3.746 -5.038 -4.488 305 HE2 MET 548 1HE MET 548 2.531 -4.464 -5.630 306 HE3 MET 548 2HE MET 548 3.190 -3.364 -4.418 307 H HIS 549 H HIS 549 -0.095 -1.204 -4.881 308 HA HIS 549 HA HIS 549 -1.662 -0.742 -7.300 309 HB2 HIS 549 2HB HIS 549 -2.783 -1.604 -4.642 310 HB3 HIS 549 1HB HIS 549 -3.431 -1.889 -6.253 311 HD1 HIS 549 1HD HIS 549 -1.594 -3.520 -3.632 312 HD2 HIS 549 2HD HIS 549 -1.683 -3.768 -7.778 313 HE1 HIS 549 1HE HIS 549 -0.542 -5.733 -4.196 314 HE2 HIS 549 2HE HIS 549 -0.725 -5.915 -6.702 315 H ASN 550 H ASN 550 -0.596 0.934 -4.589 316 HA ASN 550 HA ASN 550 -1.012 3.026 -3.797 317 HB2 ASN 550 2HB ASN 550 -2.820 3.136 -6.217 318 HB3 ASN 550 1HB ASN 550 -2.612 4.492 -5.119 319 HD21 ASN 550 1HD2 ASN 550 -0.622 2.160 -6.916 320 HD22 ASN 550 2HD2 ASN 550 0.553 3.311 -7.438 321 H GLN 551 H GLN 551 -3.257 0.566 -3.820 322 HA GLN 551 HA GLN 551 -4.943 0.033 -2.430 323 HB2 GLN 551 2HB GLN 551 -4.525 2.666 -1.043 324 HB3 GLN 551 1HB GLN 551 -5.244 1.197 -0.403 325 HG2 GLN 551 2HG GLN 551 -3.008 0.097 -0.758 326 HG3 GLN 551 1HG GLN 551 -2.365 1.716 -1.029 327 HE21 GLN 551 1HE2 GLN 551 -3.086 -0.627 1.253 328 HE22 GLN 551 2HE2 GLN 551 -2.910 0.333 2.679 329 H ASP 552 H ASP 552 -6.914 -0.011 -3.015 330 HA ASP 552 HA ASP 552 -8.483 2.399 -3.403 331 HB2 ASP 552 2HB ASP 552 -9.307 1.509 -5.646 332 HB3 ASP 552 1HB ASP 552 -7.690 2.208 -5.625 333 H GLY 553 H GLY 553 -9.025 0.966 -1.333 334 HA2 GLY 553 2HA GLY 553 -10.743 -0.135 -0.277 335 HA3 GLY 553 1HA GLY 553 -11.608 -0.116 -1.806 336 H LEU 554 H LEU 554 -8.630 -1.659 -0.608 337 HA LEU 554 HA LEU 554 -9.586 -4.185 -1.775 338 HB2 LEU 554 2HB LEU 554 -6.755 -3.456 -1.043 339 HB3 LEU 554 1HB LEU 554 -7.284 -4.856 -1.958 340 HG LEU 554 HG LEU 554 -7.274 -1.977 -2.846 341 HD11 LEU 554 1HD1 LEU 554 -5.679 -4.396 -3.417 342 HD12 LEU 554 2HD1 LEU 554 -5.207 -2.697 -3.407 343 HD13 LEU 554 3HD1 LEU 554 -6.072 -3.364 -4.793 344 HD21 LEU 554 3HD2 LEU 554 -8.137 -3.082 -5.032 345 HD22 LEU 554 1HD2 LEU 554 -9.284 -2.670 -3.757 346 HD23 LEU 554 2HD2 LEU 554 -8.742 -4.337 -3.949 347 H ILE 555 H ILE 555 -8.468 -2.639 1.134 348 HA ILE 555 HA ILE 555 -8.674 -5.200 2.566 349 HB ILE 555 HB ILE 555 -7.589 -3.437 4.390 350 HG12 ILE 555 2HG1 ILE 555 -7.270 -1.828 2.462 351 HG13 ILE 555 1HG1 ILE 555 -5.813 -2.230 3.360 352 HG21 ILE 555 1HG2 ILE 555 -6.232 -5.392 2.547 353 HG22 ILE 555 2HG2 ILE 555 -6.905 -5.717 4.144 354 HG23 ILE 555 3HG2 ILE 555 -5.483 -4.687 3.979 355 HD11 ILE 555 3HD1 ILE 555 -4.841 -3.194 1.588 356 HD12 ILE 555 1HD1 ILE 555 -6.007 -2.243 0.669 357 HD13 ILE 555 2HD1 ILE 555 -6.341 -3.935 1.034 358 H CYS 556 H CYS 556 -10.144 -2.131 2.156 359 HA CYS 556 HA CYS 556 -11.483 -2.182 4.722 360 HB2 CYS 556 2HB CYS 556 -10.719 -0.101 3.281 361 HB3 CYS 556 1HB CYS 556 -12.288 -0.318 2.525 362 H GLY 557 H GLY 557 -11.875 -4.241 2.520 363 HA2 GLY 557 2HA GLY 557 -14.475 -4.953 3.045 364 HA3 GLY 557 1HA GLY 557 -14.523 -3.985 1.574 365 H LEU 558 H LEU 558 -14.648 -5.265 -0.105 366 HA LEU 558 HA LEU 558 -12.611 -7.269 -0.529 367 HB2 LEU 558 2HB LEU 558 -15.324 -8.307 -1.052 368 HB3 LEU 558 1HB LEU 558 -13.885 -9.144 -0.504 369 HG LEU 558 HG LEU 558 -15.408 -7.334 1.346 370 HD11 LEU 558 1HD1 LEU 558 -16.670 -9.252 2.129 371 HD12 LEU 558 2HD1 LEU 558 -15.947 -10.258 0.873 372 HD13 LEU 558 3HD1 LEU 558 -17.015 -8.926 0.430 373 HD21 LEU 558 3HD2 LEU 558 -13.034 -8.774 1.570 374 HD22 LEU 558 1HD2 LEU 558 -14.228 -9.728 2.449 375 HD23 LEU 558 2HD2 LEU 558 -13.957 -8.038 2.880 376 H ARG 559 H ARG 559 -15.502 -5.613 -1.667 377 HA ARG 559 HA ARG 559 -14.327 -5.537 -4.354 378 HB2 ARG 559 2HB ARG 559 -16.809 -5.633 -5.148 379 HB3 ARG 559 1HB ARG 559 -15.961 -7.125 -4.768 380 HG2 ARG 559 2HG ARG 559 -17.141 -7.449 -2.805 381 HG3 ARG 559 1HG ARG 559 -17.586 -5.747 -2.674 382 HD2 ARG 559 2HD ARG 559 -19.573 -6.701 -3.350 383 HD3 ARG 559 1HD ARG 559 -18.877 -6.194 -4.888 384 HE ARG 559 HE ARG 559 -17.997 -8.739 -4.615 385 HH11 ARG 559 1HH1 ARG 559 -21.158 -7.270 -4.449 386 HH12 ARG 559 2HH1 ARG 559 -21.981 -8.681 -5.024 387 HH21 ARG 559 1HH2 ARG 559 -19.078 -10.594 -5.371 388 HH22 ARG 559 2HH2 ARG 559 -20.801 -10.568 -5.548 389 H GLN 560 H GLN 560 -14.092 -3.550 -2.433 390 HA GLN 560 HA GLN 560 -15.956 -1.562 -2.252 391 HB2 GLN 560 2HB GLN 560 -12.967 -1.292 -2.601 392 HB3 GLN 560 1HB GLN 560 -14.016 0.049 -2.172 393 HG2 GLN 560 2HG GLN 560 -13.158 -2.288 -0.548 394 HG3 GLN 560 1HG GLN 560 -13.247 -0.581 -0.113 395 HE21 GLN 560 1HE2 GLN 560 -15.147 -3.480 -0.683 396 HE22 GLN 560 2HE2 GLN 560 -16.491 -3.022 0.299 Start of MODEL 5 1 H1 ALA 507 1HT ALA 507 -12.179 -8.745 -0.587 2 H2 ALA 507 2HT ALA 507 -12.318 -10.188 -1.504 3 H3 ALA 507 3HT ALA 507 -10.996 -9.975 -0.431 4 HA ALA 507 HA ALA 507 -13.771 -9.942 0.493 5 HB1 ALA 507 2HB ALA 507 -12.103 -12.246 -0.323 6 HB2 ALA 507 3HB ALA 507 -13.857 -12.058 -0.317 7 HB3 ALA 507 1HB ALA 507 -13.001 -12.399 1.187 8 H GLN 508 H GLN 508 -12.916 -8.309 1.923 9 HA GLN 508 HA GLN 508 -12.117 -9.323 4.413 10 HB2 GLN 508 2HB GLN 508 -9.859 -8.405 4.597 11 HB3 GLN 508 1HB GLN 508 -9.941 -9.619 3.329 12 HG2 GLN 508 2HG GLN 508 -10.183 -7.740 1.681 13 HG3 GLN 508 1HG GLN 508 -9.831 -6.632 3.007 14 HE21 GLN 508 1HE2 GLN 508 -7.806 -7.332 4.289 15 HE22 GLN 508 2HE2 GLN 508 -6.429 -7.737 3.327 16 HA PRO 509 HA PRO 509 -13.649 -5.134 4.992 17 HB2 PRO 509 2HB PRO 509 -15.047 -5.568 7.171 18 HB3 PRO 509 1HB PRO 509 -15.507 -6.406 5.679 19 HG2 PRO 509 2HG PRO 509 -13.998 -7.434 8.042 20 HG3 PRO 509 1HG PRO 509 -15.243 -8.244 7.075 21 HD2 PRO 509 2HD PRO 509 -12.450 -8.505 6.771 22 HD3 PRO 509 1HD PRO 509 -13.684 -9.048 5.617 23 H LYS 510 H LYS 510 -12.851 -3.428 6.053 24 HA LYS 510 HA LYS 510 -11.932 -3.301 8.665 25 HB2 LYS 510 2HB LYS 510 -9.915 -4.112 6.684 26 HB3 LYS 510 1HB LYS 510 -9.426 -2.827 7.781 27 HG2 LYS 510 2HG LYS 510 -9.294 -4.206 9.531 28 HG3 LYS 510 1HG LYS 510 -10.762 -5.070 9.072 29 HD2 LYS 510 2HD LYS 510 -8.827 -6.552 8.987 30 HD3 LYS 510 1HD LYS 510 -9.499 -6.307 7.374 31 HE2 LYS 510 2HE LYS 510 -7.273 -6.024 6.928 32 HE3 LYS 510 1HE LYS 510 -7.731 -4.360 7.296 33 HZ1 LYS 510 3HZ LYS 510 -5.975 -4.509 8.673 34 HZ2 LYS 510 1HZ LYS 510 -6.050 -6.196 8.795 35 HZ3 LYS 510 2HZ LYS 510 -7.089 -5.234 9.719 36 H CYS 511 H CYS 511 -11.492 -2.081 5.435 37 HA CYS 511 HA CYS 511 -11.723 -0.016 4.550 38 HB2 CYS 511 2HB CYS 511 -12.887 0.500 7.250 39 HB3 CYS 511 1HB CYS 511 -12.562 1.848 6.165 40 H ASN 512 H ASN 512 -9.294 -0.838 5.128 41 HA ASN 512 HA ASN 512 -8.006 1.686 5.864 42 HB2 ASN 512 2HB ASN 512 -7.719 0.066 7.704 43 HB3 ASN 512 1HB ASN 512 -6.966 -1.060 6.581 44 HD21 ASN 512 1HD2 ASN 512 -6.326 2.323 6.194 45 HD22 ASN 512 2HD2 ASN 512 -4.721 2.298 6.824 46 HA PRO 513 HA PRO 513 -6.079 -0.181 1.988 47 HB2 PRO 513 2HB PRO 513 -8.035 -0.036 0.037 48 HB3 PRO 513 1HB PRO 513 -7.648 -1.476 0.965 49 HG2 PRO 513 2HG PRO 513 -10.057 0.027 1.045 50 HG3 PRO 513 1HG PRO 513 -9.610 -1.349 2.063 51 HD2 PRO 513 2HD PRO 513 -9.448 1.557 2.643 52 HD3 PRO 513 1HD PRO 513 -9.715 0.191 3.734 53 H ASN 514 H ASN 514 -8.609 1.760 0.494 54 HA ASN 514 HA ASN 514 -6.634 3.584 -0.535 55 HB2 ASN 514 2HB ASN 514 -8.244 4.251 -2.067 56 HB3 ASN 514 1HB ASN 514 -8.708 2.583 -1.744 57 HD21 ASN 514 1HD2 ASN 514 -10.556 2.166 -0.526 58 HD22 ASN 514 2HD2 ASN 514 -11.766 3.369 -0.258 59 H LEU 515 H LEU 515 -8.001 3.466 2.379 60 HA LEU 515 HA LEU 515 -8.359 6.380 2.570 61 HB2 LEU 515 2HB LEU 515 -9.397 4.257 4.449 62 HB3 LEU 515 1HB LEU 515 -9.718 5.977 4.545 63 HG LEU 515 HG LEU 515 -11.675 5.125 3.630 64 HD11 LEU 515 1HD1 LEU 515 -11.022 6.974 2.295 65 HD12 LEU 515 2HD1 LEU 515 -11.648 5.740 1.200 66 HD13 LEU 515 3HD1 LEU 515 -9.907 5.984 1.353 67 HD21 LEU 515 3HD2 LEU 515 -10.760 2.845 3.265 68 HD22 LEU 515 1HD2 LEU 515 -10.076 3.407 1.740 69 HD23 LEU 515 2HD2 LEU 515 -11.824 3.396 1.970 70 H HIS 516 H HIS 516 -5.796 5.134 2.561 71 HA HIS 516 HA HIS 516 -4.589 6.387 4.739 72 HB2 HIS 516 2HB HIS 516 -5.771 4.171 5.688 73 HB3 HIS 516 1HB HIS 516 -4.230 3.481 5.189 74 HD1 HIS 516 1HD HIS 516 -2.985 3.193 7.319 75 HD2 HIS 516 2HD HIS 516 -4.789 6.926 7.057 76 HE1 HIS 516 1HE HIS 516 -2.193 4.466 9.338 77 HE2 HIS 516 2HE HIS 516 -3.223 6.754 9.107 78 H TYR 517 H TYR 517 -4.394 3.801 2.379 79 HA TYR 517 HA TYR 517 -1.787 3.174 2.206 80 HB2 TYR 517 2HB TYR 517 -2.079 2.679 -0.106 81 HB3 TYR 517 1HB TYR 517 -3.614 2.375 0.689 82 HD1 TYR 517 1HD TYR 517 -4.962 4.885 0.812 83 HD2 TYR 517 2HD TYR 517 -2.419 3.416 -2.263 84 HE1 TYR 517 1HE TYR 517 -6.090 6.346 -0.813 85 HE2 TYR 517 2HE TYR 517 -3.538 4.872 -3.895 86 HH TYR 517 HH TYR 517 -5.066 7.363 -3.394 87 H TRP 518 H TRP 518 -3.149 6.191 0.939 88 HA TRP 518 HA TRP 518 -0.939 7.187 -0.398 89 HB2 TRP 518 2HB TRP 518 -1.950 9.487 0.456 90 HB3 TRP 518 1HB TRP 518 -2.783 8.510 -0.749 91 HD1 TRP 518 HD TRP 518 -2.837 7.742 3.019 92 HE1 TRP 518 1HE TRP 518 -5.258 7.894 3.846 93 HE3 TRP 518 3HE TRP 518 -5.027 9.516 -1.243 94 HZ2 TRP 518 2HZ TRP 518 -7.777 8.680 2.831 95 HZ3 TRP 518 3HZ TRP 518 -7.449 9.946 -1.231 96 HH2 TRP 518 HH TRP 518 -8.795 9.536 0.765 97 H THR 519 H THR 519 -1.316 6.687 2.951 98 HA THR 519 HA THR 519 0.117 8.640 4.203 99 HB THR 519 HB THR 519 -0.935 6.911 5.437 100 HG1 THR 519 1HG THR 519 0.666 6.439 6.892 101 HG21 THR 519 3HG2 THR 519 -0.223 5.149 3.608 102 HG22 THR 519 1HG2 THR 519 -0.676 4.695 5.251 103 HG23 THR 519 2HG2 THR 519 1.028 4.818 4.809 104 H THR 520 H THR 520 1.515 5.629 2.921 105 HA THR 520 HA THR 520 4.058 7.048 2.575 106 HB THR 520 HB THR 520 4.124 5.541 4.556 107 HG1 THR 520 1HG THR 520 6.097 5.710 3.769 108 HG21 THR 520 3HG2 THR 520 3.128 3.567 4.459 109 HG22 THR 520 1HG2 THR 520 4.463 3.035 3.435 110 HG23 THR 520 2HG2 THR 520 2.979 3.648 2.702 111 H GLN 521 H GLN 521 1.582 5.237 1.173 112 HA GLN 521 HA GLN 521 3.216 3.966 -0.819 113 HB2 GLN 521 2HB GLN 521 1.341 2.863 -1.523 114 HB3 GLN 521 1HB GLN 521 0.855 3.244 0.120 115 HG2 GLN 521 2HG GLN 521 -0.998 3.954 -0.935 116 HG3 GLN 521 1HG GLN 521 -0.052 5.430 -1.085 117 HE21 GLN 521 1HE2 GLN 521 0.122 6.261 -3.032 118 HE22 GLN 521 2HE2 GLN 521 -0.133 5.428 -4.523 119 H ASP 522 H ASP 522 1.658 6.973 -0.425 120 HA ASP 522 HA ASP 522 2.089 7.648 -3.253 121 HB2 ASP 522 2HB ASP 522 -0.250 7.855 -2.041 122 HB3 ASP 522 1HB ASP 522 0.437 9.368 -1.465 123 H GLU 523 H GLU 523 3.607 7.846 -0.473 124 HA GLU 523 HA GLU 523 4.867 10.420 -1.108 125 HB2 GLU 523 2HB GLU 523 4.873 9.585 1.733 126 HB3 GLU 523 1HB GLU 523 4.735 11.192 1.035 127 HG2 GLU 523 2HG GLU 523 2.369 10.368 0.319 128 HG3 GLU 523 1HG GLU 523 2.607 9.185 1.606 129 H GLY 524 H GLY 524 5.033 7.165 -0.016 130 HA2 GLY 524 2HA GLY 524 7.979 7.264 -0.097 131 HA3 GLY 524 1HA GLY 524 7.065 6.161 0.923 132 H ALA 525 H ALA 525 5.085 5.749 -1.274 133 HA ALA 525 HA ALA 525 6.686 3.860 -2.848 134 HB1 ALA 525 1HB ALA 525 4.809 3.060 -1.274 135 HB2 ALA 525 2HB ALA 525 4.859 2.402 -2.911 136 HB3 ALA 525 3HB ALA 525 3.713 3.682 -2.506 137 H ALA 526 H ALA 526 6.095 6.741 -3.349 138 HA ALA 526 HA ALA 526 5.174 6.422 -6.110 139 HB1 ALA 526 1HB ALA 526 4.055 8.351 -4.109 140 HB2 ALA 526 2HB ALA 526 3.193 7.157 -5.080 141 HB3 ALA 526 3HB ALA 526 3.890 8.584 -5.849 142 H ILE 527 H ILE 527 7.486 7.557 -4.048 143 HA ILE 527 HA ILE 527 8.564 9.341 -6.100 144 HB ILE 527 HB ILE 527 9.421 10.479 -3.706 145 HG12 ILE 527 2HG1 ILE 527 7.370 9.099 -2.800 146 HG13 ILE 527 1HG1 ILE 527 7.641 10.749 -2.252 147 HG21 ILE 527 1HG2 ILE 527 7.221 11.404 -5.547 148 HG22 ILE 527 2HG2 ILE 527 8.951 11.642 -5.799 149 HG23 ILE 527 3HG2 ILE 527 8.144 12.418 -4.436 150 HD11 ILE 527 3HD1 ILE 527 5.268 9.938 -2.977 151 HD12 ILE 527 1HD1 ILE 527 5.872 10.281 -4.599 152 HD13 ILE 527 2HD1 ILE 527 5.827 11.561 -3.387 153 H GLY 528 H GLY 528 9.136 7.492 -3.135 154 HA2 GLY 528 2HA GLY 528 11.987 7.559 -3.386 155 HA3 GLY 528 1HA GLY 528 11.063 6.550 -2.286 156 H LEU 529 H LEU 529 10.842 4.425 -2.740 157 HA LEU 529 HA LEU 529 11.505 3.533 -5.452 158 HB2 LEU 529 2HB LEU 529 13.231 3.336 -3.284 159 HB3 LEU 529 1HB LEU 529 12.549 1.730 -3.439 160 HG LEU 529 HG LEU 529 13.194 1.882 -5.915 161 HD11 LEU 529 1HD1 LEU 529 14.357 3.623 -6.695 162 HD12 LEU 529 2HD1 LEU 529 15.358 3.725 -5.247 163 HD13 LEU 529 3HD1 LEU 529 13.761 4.476 -5.270 164 HD21 LEU 529 3HD2 LEU 529 15.468 1.147 -5.452 165 HD22 LEU 529 1HD2 LEU 529 14.347 0.472 -4.271 166 HD23 LEU 529 2HD2 LEU 529 15.376 1.835 -3.830 167 H ALA 530 H ALA 530 9.263 3.148 -5.714 168 HA ALA 530 HA ALA 530 8.303 0.713 -4.346 169 HB1 ALA 530 1HB ALA 530 6.602 1.969 -3.628 170 HB2 ALA 530 2HB ALA 530 6.033 1.940 -5.295 171 HB3 ALA 530 3HB ALA 530 7.008 3.292 -4.720 172 H TRP 531 H TRP 531 9.538 1.807 -7.088 173 HA TRP 531 HA TRP 531 7.815 0.293 -8.922 174 HB2 TRP 531 2HB TRP 531 9.754 1.479 -10.473 175 HB3 TRP 531 1HB TRP 531 8.186 2.198 -10.120 176 HD1 TRP 531 HD TRP 531 11.790 2.243 -8.737 177 HE1 TRP 531 1HE TRP 531 12.176 4.498 -7.581 178 HE3 TRP 531 3HE TRP 531 7.106 4.217 -9.244 179 HZ2 TRP 531 2HZ TRP 531 10.692 6.837 -6.977 180 HZ3 TRP 531 3HZ TRP 531 6.667 6.465 -8.350 181 HH2 TRP 531 HH TRP 531 8.419 7.748 -7.237 182 H ILE 532 H ILE 532 9.805 -0.702 -6.884 183 HA ILE 532 HA ILE 532 11.225 -2.519 -8.675 184 HB ILE 532 HB ILE 532 13.356 -2.226 -7.652 185 HG12 ILE 532 2HG1 ILE 532 12.808 -1.893 -5.340 186 HG13 ILE 532 1HG1 ILE 532 13.710 -0.481 -5.872 187 HG21 ILE 532 1HG2 ILE 532 12.550 0.635 -7.870 188 HG22 ILE 532 2HG2 ILE 532 12.356 -0.412 -9.280 189 HG23 ILE 532 3HG2 ILE 532 13.947 -0.204 -8.550 190 HD11 ILE 532 3HD1 ILE 532 11.362 0.537 -6.293 191 HD12 ILE 532 1HD1 ILE 532 12.010 0.462 -4.660 192 HD13 ILE 532 2HD1 ILE 532 10.822 -0.723 -5.184 193 HA PRO 533 HA PRO 533 9.549 -4.995 -5.277 194 HB2 PRO 533 2HB PRO 533 9.040 -7.205 -6.674 195 HB3 PRO 533 1HB PRO 533 8.048 -5.756 -6.872 196 HG2 PRO 533 2HG PRO 533 10.226 -6.814 -8.623 197 HG3 PRO 533 1HG PRO 533 8.683 -6.072 -9.078 198 HD2 PRO 533 2HD PRO 533 11.136 -4.764 -9.008 199 HD3 PRO 533 1HD PRO 533 9.550 -3.969 -8.983 200 H TYR 534 H TYR 534 11.404 -5.307 -4.005 201 HA TYR 534 HA TYR 534 12.629 -7.857 -4.265 202 HB2 TYR 534 2HB TYR 534 14.874 -7.295 -4.693 203 HB3 TYR 534 1HB TYR 534 13.920 -6.481 -5.921 204 HD1 TYR 534 1HD TYR 534 15.944 -6.008 -2.883 205 HD2 TYR 534 2HD TYR 534 13.894 -4.083 -6.076 206 HE1 TYR 534 1HE TYR 534 17.087 -3.900 -2.340 207 HE2 TYR 534 2HE TYR 534 15.028 -1.970 -5.540 208 HH TYR 534 HH TYR 534 16.510 -1.340 -2.724 209 H PHE 535 H PHE 535 13.131 -4.655 -2.749 210 HA PHE 535 HA PHE 535 13.840 -6.029 -0.268 211 HB2 PHE 535 2HB PHE 535 14.584 -3.912 0.574 212 HB3 PHE 535 1HB PHE 535 15.211 -4.083 -1.058 213 HD1 PHE 535 1HD PHE 535 13.901 -2.929 -2.935 214 HD2 PHE 535 2HD PHE 535 13.390 -2.022 1.187 215 HE1 PHE 535 1HE PHE 535 12.939 -0.753 -3.541 216 HE2 PHE 535 2HE PHE 535 12.416 0.158 0.588 217 HZ PHE 535 HZ PHE 535 12.189 0.793 -1.778 218 H GLY 536 H GLY 536 11.092 -5.832 -1.529 219 HA2 GLY 536 2HA GLY 536 9.352 -4.166 -0.211 220 HA3 GLY 536 1HA GLY 536 8.948 -5.808 -0.686 221 HA PRO 537 HA PRO 537 8.836 -7.136 3.521 222 HB2 PRO 537 2HB PRO 537 10.456 -9.289 3.742 223 HB3 PRO 537 1HB PRO 537 8.941 -9.327 2.833 224 HG2 PRO 537 2HG PRO 537 11.745 -9.001 1.831 225 HG3 PRO 537 1HG PRO 537 10.435 -10.002 1.180 226 HD2 PRO 537 2HD PRO 537 11.097 -7.590 0.131 227 HD3 PRO 537 1HD PRO 537 9.440 -8.226 0.106 228 H ALA 538 H ALA 538 11.721 -5.850 2.391 229 HA ALA 538 HA ALA 538 13.071 -6.044 4.983 230 HB1 ALA 538 1HB ALA 538 14.395 -4.628 2.761 231 HB2 ALA 538 2HB ALA 538 14.101 -6.350 2.517 232 HB3 ALA 538 3HB ALA 538 15.040 -5.805 3.907 233 H ALA 539 H ALA 539 11.410 -3.818 2.906 234 HA ALA 539 HA ALA 539 12.325 -1.474 4.349 235 HB1 ALA 539 1HB ALA 539 10.758 -2.001 1.909 236 HB2 ALA 539 2HB ALA 539 12.012 -0.799 2.218 237 HB3 ALA 539 3HB ALA 539 10.367 -0.527 2.792 238 H GLU 540 H GLU 540 9.845 -3.767 4.570 239 HA GLU 540 HA GLU 540 7.572 -2.655 5.376 240 HB2 GLU 540 2HB GLU 540 7.133 -4.582 6.646 241 HB3 GLU 540 1HB GLU 540 8.252 -5.082 5.383 242 HG2 GLU 540 2HG GLU 540 10.086 -4.717 7.134 243 HG3 GLU 540 1HG GLU 540 8.771 -4.710 8.309 244 H GLY 541 H GLY 541 7.266 -0.843 6.478 245 HA2 GLY 541 2HA GLY 541 6.871 0.141 8.597 246 HA3 GLY 541 1HA GLY 541 8.241 -0.744 9.237 247 H ILE 542 H ILE 542 9.492 0.371 6.489 248 HA ILE 542 HA ILE 542 10.485 2.786 7.828 249 HB ILE 542 HB ILE 542 11.682 1.482 5.392 250 HG12 ILE 542 2HG1 ILE 542 13.103 1.062 7.901 251 HG13 ILE 542 1HG1 ILE 542 11.506 0.321 7.913 252 HG21 ILE 542 1HG2 ILE 542 12.964 3.265 7.451 253 HG22 ILE 542 2HG2 ILE 542 12.253 3.860 5.951 254 HG23 ILE 542 3HG2 ILE 542 13.625 2.755 5.897 255 HD11 ILE 542 3HD1 ILE 542 13.063 -0.134 5.478 256 HD12 ILE 542 1HD1 ILE 542 12.083 -1.246 6.434 257 HD13 ILE 542 2HD1 ILE 542 13.725 -0.855 6.946 258 H TYR 543 H TYR 543 8.937 1.673 4.880 259 HA TYR 543 HA TYR 543 7.661 4.068 4.340 260 HB2 TYR 543 2HB TYR 543 9.171 4.625 2.198 261 HB3 TYR 543 1HB TYR 543 9.451 5.359 3.772 262 HD1 TYR 543 1HD TYR 543 10.307 1.868 2.874 263 HD2 TYR 543 2HD TYR 543 11.767 5.805 3.558 264 HE1 TYR 543 1HE TYR 543 12.610 1.009 2.866 265 HE2 TYR 543 2HE TYR 543 14.076 4.956 3.550 266 HH TYR 543 HH TYR 543 14.818 1.648 3.728 267 H ILE 544 H ILE 544 9.273 2.892 1.508 268 HA ILE 544 HA ILE 544 7.014 2.246 0.108 269 HB ILE 544 HB ILE 544 9.649 0.821 -0.239 270 HG12 ILE 544 2HG1 ILE 544 9.290 3.083 -1.985 271 HG13 ILE 544 1HG1 ILE 544 9.154 3.602 -0.308 272 HG21 ILE 544 1HG2 ILE 544 8.833 0.022 -2.151 273 HG22 ILE 544 2HG2 ILE 544 8.179 1.592 -2.613 274 HG23 ILE 544 3HG2 ILE 544 7.245 0.522 -1.568 275 HD11 ILE 544 3HD1 ILE 544 11.485 2.658 -1.811 276 HD12 ILE 544 1HD1 ILE 544 11.346 2.037 -0.166 277 HD13 ILE 544 2HD1 ILE 544 11.379 3.777 -0.452 278 H GLU 545 H GLU 545 9.216 -0.278 1.289 279 HA GLU 545 HA GLU 545 8.864 -2.365 2.106 280 HB2 GLU 545 2HB GLU 545 5.998 -1.749 2.685 281 HB3 GLU 545 1HB GLU 545 7.144 -2.704 3.610 282 HG2 GLU 545 2HG GLU 545 7.946 -0.910 4.730 283 HG3 GLU 545 1HG GLU 545 7.744 0.178 3.365 284 H GLY 546 H GLY 546 7.302 -4.327 1.895 285 HA2 GLY 546 2HA GLY 546 6.822 -4.663 -0.929 286 HA3 GLY 546 1HA GLY 546 6.632 -5.890 0.317 287 H LEU 547 H LEU 547 5.144 -2.862 -0.794 288 HA LEU 547 HA LEU 547 2.501 -4.084 -0.338 289 HB2 LEU 547 2HB LEU 547 1.702 -1.790 0.265 290 HB3 LEU 547 1HB LEU 547 2.798 -2.518 1.430 291 HG LEU 547 HG LEU 547 4.638 -1.196 0.176 292 HD11 LEU 547 1HD1 LEU 547 3.551 1.025 -0.626 293 HD12 LEU 547 2HD1 LEU 547 2.125 0.016 -0.882 294 HD13 LEU 547 3HD1 LEU 547 3.631 -0.360 -1.718 295 HD21 LEU 547 3HD2 LEU 547 4.449 -0.404 2.275 296 HD22 LEU 547 1HD2 LEU 547 2.687 -0.334 2.204 297 HD23 LEU 547 2HD2 LEU 547 3.651 0.950 1.473 298 H MET 548 H MET 548 3.787 -4.189 -2.798 299 HA MET 548 HA MET 548 3.096 -2.006 -4.477 300 HB2 MET 548 2HB MET 548 3.480 -4.852 -5.362 301 HB3 MET 548 1HB MET 548 3.712 -3.387 -6.303 302 HG2 MET 548 2HG MET 548 5.836 -3.292 -5.704 303 HG3 MET 548 1HG MET 548 5.382 -3.266 -4.001 304 HE1 MET 548 3HE MET 548 4.725 -6.239 -2.855 305 HE2 MET 548 1HE MET 548 5.633 -4.776 -2.470 306 HE3 MET 548 2HE MET 548 6.463 -6.331 -2.565 307 H HIS 549 H HIS 549 0.890 -2.809 -2.868 308 HA HIS 549 HA HIS 549 -0.989 -3.842 -4.881 309 HB2 HIS 549 2HB HIS 549 -1.692 -3.562 -1.979 310 HB3 HIS 549 1HB HIS 549 -2.324 -4.693 -3.171 311 HD1 HIS 549 1HD HIS 549 -0.420 -4.779 -0.258 312 HD2 HIS 549 2HD HIS 549 0.104 -6.455 -4.024 313 HE1 HIS 549 1HE HIS 549 1.188 -6.684 0.071 314 HE2 HIS 549 2HE HIS 549 1.433 -7.729 -2.208 315 H ASN 550 H ASN 550 0.042 -1.136 -3.128 316 HA ASN 550 HA ASN 550 -0.608 1.035 -3.072 317 HB2 ASN 550 2HB ASN 550 -2.006 0.004 -5.481 318 HB3 ASN 550 1HB ASN 550 -2.526 1.566 -4.855 319 HD21 ASN 550 1HD2 ASN 550 0.721 0.221 -4.725 320 HD22 ASN 550 2HD2 ASN 550 1.455 1.411 -5.737 321 H GLN 551 H GLN 551 -3.588 -0.840 -3.631 322 HA GLN 551 HA GLN 551 -5.328 -1.203 -2.158 323 HB2 GLN 551 2HB GLN 551 -4.394 1.196 -0.584 324 HB3 GLN 551 1HB GLN 551 -5.631 0.040 -0.122 325 HG2 GLN 551 2HG GLN 551 -3.854 -1.729 -0.151 326 HG3 GLN 551 1HG GLN 551 -2.674 -0.432 -0.328 327 HE21 GLN 551 1HE2 GLN 551 -3.093 -2.378 1.836 328 HE22 GLN 551 2HE2 GLN 551 -3.304 -1.440 3.272 329 H ASP 552 H ASP 552 -7.272 -0.686 -2.808 330 HA ASP 552 HA ASP 552 -8.021 2.063 -3.339 331 HB2 ASP 552 2HB ASP 552 -6.916 0.771 -5.429 332 HB3 ASP 552 1HB ASP 552 -8.593 0.272 -5.624 333 H GLY 553 H GLY 553 -9.114 0.690 -1.371 334 HA2 GLY 553 2HA GLY 553 -11.231 0.269 -0.543 335 HA3 GLY 553 1HA GLY 553 -11.863 0.465 -2.170 336 H LEU 554 H LEU 554 -9.384 -1.814 -1.089 337 HA LEU 554 HA LEU 554 -11.049 -3.991 -2.117 338 HB2 LEU 554 2HB LEU 554 -8.137 -3.939 -1.329 339 HB3 LEU 554 1HB LEU 554 -8.977 -5.334 -1.977 340 HG LEU 554 HG LEU 554 -8.232 -2.788 -3.387 341 HD11 LEU 554 1HD1 LEU 554 -6.505 -4.164 -3.820 342 HD12 LEU 554 2HD1 LEU 554 -7.608 -4.838 -5.020 343 HD13 LEU 554 3HD1 LEU 554 -7.431 -5.619 -3.448 344 HD21 LEU 554 3HD2 LEU 554 -10.473 -3.078 -4.071 345 HD22 LEU 554 1HD2 LEU 554 -10.297 -4.830 -4.174 346 HD23 LEU 554 2HD2 LEU 554 -9.487 -3.792 -5.348 347 H ILE 555 H ILE 555 -9.866 -2.659 0.821 348 HA ILE 555 HA ILE 555 -10.657 -5.077 2.282 349 HB ILE 555 HB ILE 555 -9.006 -2.812 3.382 350 HG12 ILE 555 2HG1 ILE 555 -7.468 -5.185 2.894 351 HG13 ILE 555 1HG1 ILE 555 -8.251 -4.698 1.394 352 HG21 ILE 555 1HG2 ILE 555 -8.638 -4.122 5.220 353 HG22 ILE 555 2HG2 ILE 555 -8.904 -5.626 4.341 354 HG23 ILE 555 3HG2 ILE 555 -10.277 -4.619 4.801 355 HD11 ILE 555 3HD1 ILE 555 -6.711 -3.148 1.097 356 HD12 ILE 555 1HD1 ILE 555 -5.937 -3.629 2.610 357 HD13 ILE 555 2HD1 ILE 555 -7.182 -2.379 2.616 358 H CYS 556 H CYS 556 -11.411 -1.726 1.816 359 HA CYS 556 HA CYS 556 -12.834 -1.290 4.219 360 HB2 CYS 556 2HB CYS 556 -11.996 0.495 2.641 361 HB3 CYS 556 1HB CYS 556 -13.336 0.083 1.581 362 H GLY 557 H GLY 557 -13.567 -3.200 1.550 363 HA2 GLY 557 2HA GLY 557 -16.137 -3.829 2.651 364 HA3 GLY 557 1HA GLY 557 -16.231 -2.996 1.102 365 H LEU 558 H LEU 558 -16.415 -4.290 -0.549 366 HA LEU 558 HA LEU 558 -14.762 -6.665 -0.730 367 HB2 LEU 558 2HB LEU 558 -17.507 -7.288 -1.482 368 HB3 LEU 558 1HB LEU 558 -16.359 -8.217 -0.539 369 HG LEU 558 HG LEU 558 -17.837 -5.894 0.669 370 HD11 LEU 558 1HD1 LEU 558 -19.621 -7.204 -0.106 371 HD12 LEU 558 2HD1 LEU 558 -19.397 -7.676 1.579 372 HD13 LEU 558 3HD1 LEU 558 -18.794 -8.712 0.285 373 HD21 LEU 558 3HD2 LEU 558 -15.880 -7.755 1.576 374 HD22 LEU 558 1HD2 LEU 558 -17.383 -8.054 2.449 375 HD23 LEU 558 2HD2 LEU 558 -16.655 -6.447 2.470 376 H ARG 559 H ARG 559 -17.073 -4.455 -2.192 377 HA ARG 559 HA ARG 559 -15.742 -4.858 -4.766 378 HB2 ARG 559 2HB ARG 559 -18.101 -4.570 -5.799 379 HB3 ARG 559 1HB ARG 559 -17.631 -6.148 -5.183 380 HG2 ARG 559 2HG ARG 559 -19.127 -6.090 -3.487 381 HG3 ARG 559 1HG ARG 559 -19.000 -4.341 -3.288 382 HD2 ARG 559 2HD ARG 559 -20.120 -4.526 -5.760 383 HD3 ARG 559 1HD ARG 559 -20.821 -5.929 -4.954 384 HE ARG 559 HE ARG 559 -22.138 -4.501 -3.772 385 HH11 ARG 559 1HH1 ARG 559 -19.341 -2.728 -4.874 386 HH12 ARG 559 2HH1 ARG 559 -19.901 -1.213 -4.252 387 HH21 ARG 559 1HH2 ARG 559 -22.876 -2.508 -2.951 388 HH22 ARG 559 2HH2 ARG 559 -21.908 -1.088 -3.158 389 H GLN 560 H GLN 560 -15.256 -2.788 -2.986 390 HA GLN 560 HA GLN 560 -16.740 -0.480 -3.156 391 HB2 GLN 560 2HB GLN 560 -13.729 -0.760 -3.150 392 HB3 GLN 560 1HB GLN 560 -14.573 0.760 -2.904 393 HG2 GLN 560 2HG GLN 560 -14.290 -1.570 -1.087 394 HG3 GLN 560 1HG GLN 560 -14.162 0.155 -0.745 395 HE21 GLN 560 1HE2 GLN 560 -16.378 -2.496 -1.313 396 HE22 GLN 560 2HE2 GLN 560 -17.750 -1.769 -0.558 Start of MODEL 6 1 H1 ALA 507 1HT ALA 507 -9.514 -10.017 -0.653 2 H2 ALA 507 2HT ALA 507 -10.005 -8.380 -0.813 3 H3 ALA 507 3HT ALA 507 -10.639 -9.575 -1.869 4 HA ALA 507 HA ALA 507 -12.092 -8.781 -0.020 5 HB1 ALA 507 2HB ALA 507 -12.927 -10.623 -1.089 6 HB2 ALA 507 3HB ALA 507 -12.646 -11.297 0.516 7 HB3 ALA 507 1HB ALA 507 -11.486 -11.593 -0.779 8 H GLN 508 H GLN 508 -11.588 -7.910 1.903 9 HA GLN 508 HA GLN 508 -10.970 -9.620 4.096 10 HB2 GLN 508 2HB GLN 508 -8.893 -7.970 4.602 11 HB3 GLN 508 1HB GLN 508 -8.723 -9.541 3.834 12 HG2 GLN 508 2HG GLN 508 -8.802 -8.443 1.631 13 HG3 GLN 508 1HG GLN 508 -8.893 -6.878 2.437 14 HE21 GLN 508 1HE2 GLN 508 -6.894 -7.526 0.629 15 HE22 GLN 508 2HE2 GLN 508 -5.385 -7.602 1.465 16 HA PRO 509 HA PRO 509 -13.119 -6.122 5.868 17 HB2 PRO 509 2HB PRO 509 -13.777 -7.185 8.178 18 HB3 PRO 509 1HB PRO 509 -14.380 -7.937 6.690 19 HG2 PRO 509 2HG PRO 509 -11.980 -8.688 8.333 20 HG3 PRO 509 1HG PRO 509 -13.304 -9.740 7.783 21 HD2 PRO 509 2HD PRO 509 -10.926 -9.517 6.463 22 HD3 PRO 509 1HD PRO 509 -12.457 -9.872 5.637 23 H LYS 510 H LYS 510 -11.254 -4.771 5.960 24 HA LYS 510 HA LYS 510 -10.119 -4.545 8.661 25 HB2 LYS 510 2HB LYS 510 -8.729 -4.730 6.066 26 HB3 LYS 510 1HB LYS 510 -8.109 -3.523 7.184 27 HG2 LYS 510 2HG LYS 510 -7.203 -5.062 8.532 28 HG3 LYS 510 1HG LYS 510 -8.595 -6.138 8.400 29 HD2 LYS 510 2HD LYS 510 -7.010 -7.398 7.330 30 HD3 LYS 510 1HD LYS 510 -7.661 -6.495 5.961 31 HE2 LYS 510 2HE LYS 510 -5.544 -5.917 5.544 32 HE3 LYS 510 1HE LYS 510 -5.706 -4.821 6.914 33 HZ1 LYS 510 3HZ LYS 510 -4.580 -6.250 8.302 34 HZ2 LYS 510 1HZ LYS 510 -3.754 -6.485 6.844 35 HZ3 LYS 510 2HZ LYS 510 -4.900 -7.617 7.360 36 H CYS 511 H CYS 511 -10.482 -2.867 5.610 37 HA CYS 511 HA CYS 511 -11.266 -0.819 5.069 38 HB2 CYS 511 2HB CYS 511 -12.251 -1.105 7.776 39 HB3 CYS 511 1HB CYS 511 -11.875 0.570 7.389 40 H ASN 512 H ASN 512 -8.632 -1.235 5.212 41 HA ASN 512 HA ASN 512 -7.692 1.425 5.996 42 HB2 ASN 512 2HB ASN 512 -6.941 -0.620 7.494 43 HB3 ASN 512 1HB ASN 512 -5.788 -0.866 6.186 44 HD21 ASN 512 1HD2 ASN 512 -5.553 1.978 5.585 45 HD22 ASN 512 2HD2 ASN 512 -4.611 2.661 6.855 46 HA PRO 513 HA PRO 513 -6.214 -0.091 1.727 47 HB2 PRO 513 2HB PRO 513 -8.200 0.421 0.028 48 HB3 PRO 513 1HB PRO 513 -8.177 -1.067 0.973 49 HG2 PRO 513 2HG PRO 513 -9.705 1.461 1.485 50 HG3 PRO 513 1HG PRO 513 -10.269 -0.217 1.565 51 HD2 PRO 513 2HD PRO 513 -9.508 1.230 3.759 52 HD3 PRO 513 1HD PRO 513 -9.403 -0.538 3.652 53 H ASN 514 H ASN 514 -8.410 2.185 0.381 54 HA ASN 514 HA ASN 514 -6.273 4.037 -0.060 55 HB2 ASN 514 2HB ASN 514 -7.757 5.152 -1.559 56 HB3 ASN 514 1HB ASN 514 -8.013 3.422 -1.768 57 HD21 ASN 514 1HD2 ASN 514 -10.061 2.960 -2.060 58 HD22 ASN 514 2HD2 ASN 514 -11.406 3.726 -1.294 59 H LEU 515 H LEU 515 -8.024 3.599 2.604 60 HA LEU 515 HA LEU 515 -8.518 6.436 3.116 61 HB2 LEU 515 2HB LEU 515 -9.286 4.010 4.742 62 HB3 LEU 515 1HB LEU 515 -9.743 5.666 5.096 63 HG LEU 515 HG LEU 515 -11.643 4.710 4.090 64 HD11 LEU 515 1HD1 LEU 515 -11.823 5.874 1.905 65 HD12 LEU 515 2HD1 LEU 515 -10.096 6.224 1.990 66 HD13 LEU 515 3HD1 LEU 515 -11.193 6.894 3.198 67 HD21 LEU 515 3HD2 LEU 515 -9.868 2.940 2.926 68 HD22 LEU 515 1HD2 LEU 515 -10.525 3.831 1.553 69 HD23 LEU 515 2HD2 LEU 515 -11.612 2.990 2.658 70 H HIS 516 H HIS 516 -5.907 5.748 2.876 71 HA HIS 516 HA HIS 516 -4.677 6.853 5.066 72 HB2 HIS 516 2HB HIS 516 -5.456 4.264 5.736 73 HB3 HIS 516 1HB HIS 516 -3.752 4.102 5.327 74 HD1 HIS 516 1HD HIS 516 -5.183 3.976 8.243 75 HD2 HIS 516 2HD HIS 516 -2.847 7.037 6.681 76 HE1 HIS 516 1HE HIS 516 -4.282 5.218 10.235 77 HE2 HIS 516 2HE HIS 516 -2.953 7.124 9.263 78 H TYR 517 H TYR 517 -4.482 4.507 2.489 79 HA TYR 517 HA TYR 517 -1.899 4.143 1.903 80 HB2 TYR 517 2HB TYR 517 -2.487 3.844 -0.358 81 HB3 TYR 517 1HB TYR 517 -3.967 3.516 0.529 82 HD1 TYR 517 1HD TYR 517 -5.352 5.870 0.955 83 HD2 TYR 517 2HD TYR 517 -2.805 4.980 -2.330 84 HE1 TYR 517 1HE TYR 517 -6.556 7.522 -0.414 85 HE2 TYR 517 2HE TYR 517 -3.993 6.634 -3.709 86 HH TYR 517 HH TYR 517 -6.956 8.050 -2.731 87 H TRP 518 H TRP 518 -3.628 7.160 1.317 88 HA TRP 518 HA TRP 518 -1.523 8.540 0.020 89 HB2 TRP 518 2HB TRP 518 -2.889 10.585 0.805 90 HB3 TRP 518 1HB TRP 518 -3.693 9.442 -0.268 91 HD1 TRP 518 HD TRP 518 -3.310 8.511 3.391 92 HE1 TRP 518 1HE TRP 518 -5.618 8.511 4.510 93 HE3 TRP 518 3HE TRP 518 -6.030 10.596 -0.394 94 HZ2 TRP 518 2HZ TRP 518 -8.258 9.311 3.877 95 HZ3 TRP 518 3HZ TRP 518 -8.443 10.949 -0.058 96 HH2 TRP 518 HH TRP 518 -9.533 10.317 2.033 97 H THR 519 H THR 519 0.202 7.797 1.510 98 HA THR 519 HA THR 519 0.779 9.854 3.456 99 HB THR 519 HB THR 519 -0.432 8.452 4.909 100 HG1 THR 519 1HG THR 519 2.241 7.577 5.205 101 HG21 THR 519 3HG2 THR 519 -0.072 6.423 3.194 102 HG22 THR 519 1HG2 THR 519 -0.650 6.233 4.850 103 HG23 THR 519 2HG2 THR 519 1.055 5.969 4.473 104 H THR 520 H THR 520 1.740 6.587 2.490 105 HA THR 520 HA THR 520 4.456 7.598 2.025 106 HB THR 520 HB THR 520 4.198 6.102 4.076 107 HG1 THR 520 1HG THR 520 6.198 6.425 3.043 108 HG21 THR 520 3HG2 THR 520 4.160 3.828 2.134 109 HG22 THR 520 1HG2 THR 520 2.678 4.445 2.861 110 HG23 THR 520 2HG2 THR 520 3.962 3.798 3.885 111 H GLN 521 H GLN 521 1.700 6.308 0.698 112 HA GLN 521 HA GLN 521 3.086 4.826 -1.364 113 HB2 GLN 521 2HB GLN 521 1.078 3.832 -1.916 114 HB3 GLN 521 1HB GLN 521 0.823 4.149 -0.209 115 HG2 GLN 521 2HG GLN 521 -1.141 4.895 -1.083 116 HG3 GLN 521 1HG GLN 521 -0.203 6.386 -1.083 117 HE21 GLN 521 1HE2 GLN 521 -0.597 7.500 -2.820 118 HE22 GLN 521 2HE2 GLN 521 -0.774 6.889 -4.424 119 H ASP 522 H ASP 522 1.386 7.781 -0.839 120 HA ASP 522 HA ASP 522 1.614 8.555 -3.648 121 HB2 ASP 522 2HB ASP 522 -0.312 9.075 -1.675 122 HB3 ASP 522 1HB ASP 522 0.507 10.610 -1.944 123 H GLU 523 H GLU 523 3.516 8.549 -1.085 124 HA GLU 523 HA GLU 523 4.985 10.945 -1.925 125 HB2 GLU 523 2HB GLU 523 5.123 10.159 0.942 126 HB3 GLU 523 1HB GLU 523 5.220 11.757 0.210 127 HG2 GLU 523 2HG GLU 523 2.716 11.398 -0.320 128 HG3 GLU 523 1HG GLU 523 2.803 10.149 0.922 129 H GLY 524 H GLY 524 4.878 7.678 -0.933 130 HA2 GLY 524 2HA GLY 524 7.801 7.464 -1.208 131 HA3 GLY 524 1HA GLY 524 6.849 6.439 -0.139 132 H ALA 525 H ALA 525 4.640 6.170 -2.043 133 HA ALA 525 HA ALA 525 5.904 4.184 -3.789 134 HB1 ALA 525 1HB ALA 525 2.958 4.473 -3.221 135 HB2 ALA 525 2HB ALA 525 4.047 3.500 -2.233 136 HB3 ALA 525 3HB ALA 525 3.793 3.090 -3.929 137 H ALA 526 H ALA 526 5.677 7.145 -4.137 138 HA ALA 526 HA ALA 526 4.730 7.091 -6.907 139 HB1 ALA 526 1HB ALA 526 2.898 8.080 -5.778 140 HB2 ALA 526 2HB ALA 526 3.789 9.402 -6.534 141 HB3 ALA 526 3HB ALA 526 3.962 9.098 -4.804 142 H ILE 527 H ILE 527 7.197 7.725 -4.788 143 HA ILE 527 HA ILE 527 8.681 9.210 -6.776 144 HB ILE 527 HB ILE 527 9.423 10.608 -4.554 145 HG12 ILE 527 2HG1 ILE 527 7.205 9.455 -3.590 146 HG13 ILE 527 1HG1 ILE 527 7.701 11.079 -3.126 147 HG21 ILE 527 1HG2 ILE 527 7.608 11.185 -6.841 148 HG22 ILE 527 2HG2 ILE 527 9.213 11.823 -6.484 149 HG23 ILE 527 3HG2 ILE 527 7.814 12.401 -5.580 150 HD11 ILE 527 3HD1 ILE 527 5.239 10.539 -3.854 151 HD12 ILE 527 1HD1 ILE 527 5.906 10.771 -5.471 152 HD13 ILE 527 2HD1 ILE 527 6.005 12.069 -4.281 153 H GLY 528 H GLY 528 8.684 7.895 -3.467 154 HA2 GLY 528 2HA GLY 528 11.518 7.543 -3.377 155 HA3 GLY 528 1HA GLY 528 10.355 6.887 -2.238 156 H LEU 529 H LEU 529 10.454 4.748 -2.107 157 HA LEU 529 HA LEU 529 10.946 3.248 -4.598 158 HB2 LEU 529 2HB LEU 529 12.622 3.377 -2.370 159 HB3 LEU 529 1HB LEU 529 11.827 1.819 -2.246 160 HG LEU 529 HG LEU 529 12.547 1.421 -4.658 161 HD11 LEU 529 1HD1 LEU 529 13.902 2.848 -5.748 162 HD12 LEU 529 2HD1 LEU 529 14.756 3.327 -4.282 163 HD13 LEU 529 3HD1 LEU 529 13.189 4.039 -4.660 164 HD21 LEU 529 3HD2 LEU 529 14.231 1.450 -2.230 165 HD22 LEU 529 1HD2 LEU 529 15.065 1.216 -3.767 166 HD23 LEU 529 2HD2 LEU 529 13.779 0.110 -3.284 167 H ALA 530 H ALA 530 10.219 0.992 -4.520 168 HA ALA 530 HA ALA 530 8.644 -0.361 -2.819 169 HB1 ALA 530 1HB ALA 530 7.080 1.896 -4.009 170 HB2 ALA 530 2HB ALA 530 7.042 1.247 -2.368 171 HB3 ALA 530 3HB ALA 530 6.284 0.355 -3.687 172 H TRP 531 H TRP 531 8.989 0.884 -6.005 173 HA TRP 531 HA TRP 531 7.637 -1.177 -7.428 174 HB2 TRP 531 2HB TRP 531 9.472 -0.078 -9.199 175 HB3 TRP 531 1HB TRP 531 7.828 0.491 -8.936 176 HD1 TRP 531 HD TRP 531 11.379 1.180 -7.549 177 HE1 TRP 531 1HE TRP 531 11.488 3.650 -6.849 178 HE3 TRP 531 3HE TRP 531 6.537 2.508 -8.499 179 HZ2 TRP 531 2HZ TRP 531 9.755 5.885 -6.744 180 HZ3 TRP 531 3HZ TRP 531 5.843 4.831 -8.075 181 HH2 TRP 531 HH TRP 531 7.419 6.483 -7.211 182 H ILE 532 H ILE 532 10.553 -1.108 -5.757 183 HA ILE 532 HA ILE 532 11.913 -3.018 -7.468 184 HB ILE 532 HB ILE 532 13.822 -2.742 -6.152 185 HG12 ILE 532 2HG1 ILE 532 12.821 -3.175 -3.947 186 HG13 ILE 532 1HG1 ILE 532 13.857 -1.756 -3.905 187 HG21 ILE 532 1HG2 ILE 532 13.979 -0.252 -5.741 188 HG22 ILE 532 2HG2 ILE 532 12.287 -0.158 -6.231 189 HG23 ILE 532 3HG2 ILE 532 13.503 -0.749 -7.364 190 HD11 ILE 532 3HD1 ILE 532 10.855 -1.823 -3.940 191 HD12 ILE 532 1HD1 ILE 532 11.807 -0.353 -4.140 192 HD13 ILE 532 2HD1 ILE 532 11.911 -1.273 -2.640 193 HA PRO 533 HA PRO 533 10.237 -6.393 -5.041 194 HB2 PRO 533 2HB PRO 533 11.058 -8.401 -6.589 195 HB3 PRO 533 1HB PRO 533 9.812 -7.278 -7.149 196 HG2 PRO 533 2HG PRO 533 12.711 -7.398 -7.852 197 HG3 PRO 533 1HG PRO 533 11.321 -7.030 -8.886 198 HD2 PRO 533 2HD PRO 533 13.019 -5.150 -7.717 199 HD3 PRO 533 1HD PRO 533 11.405 -4.817 -8.374 200 H TYR 534 H TYR 534 13.080 -5.201 -4.663 201 HA TYR 534 HA TYR 534 14.821 -7.366 -4.129 202 HB2 TYR 534 2HB TYR 534 15.670 -5.129 -4.562 203 HB3 TYR 534 1HB TYR 534 14.848 -4.511 -3.134 204 HD1 TYR 534 2HD TYR 534 16.519 -7.767 -3.028 205 HD2 TYR 534 1HD TYR 534 16.922 -3.604 -2.244 206 HE1 TYR 534 2HE TYR 534 18.525 -8.221 -1.680 207 HE2 TYR 534 1HE TYR 534 18.929 -4.046 -0.897 208 HH TYR 534 HH TYR 534 20.674 -6.738 -1.020 209 H PHE 535 H PHE 535 12.836 -5.322 -1.981 210 HA PHE 535 HA PHE 535 13.133 -7.408 0.081 211 HB2 PHE 535 2HB PHE 535 12.495 -5.294 1.594 212 HB3 PHE 535 1HB PHE 535 14.158 -5.699 1.184 213 HD1 PHE 535 1HD PHE 535 15.104 -4.580 -0.964 214 HD2 PHE 535 2HD PHE 535 11.697 -3.177 1.160 215 HE1 PHE 535 1HE PHE 535 15.399 -2.354 -1.973 216 HE2 PHE 535 2HE PHE 535 11.983 -0.949 0.158 217 HZ PHE 535 HZ PHE 535 13.837 -0.535 -1.409 218 H GLY 536 H GLY 536 10.952 -5.007 -1.340 219 HA2 GLY 536 2HA GLY 536 8.661 -4.800 -1.261 220 HA3 GLY 536 1HA GLY 536 8.684 -6.551 -1.364 221 HA PRO 537 HA PRO 537 6.524 -6.531 2.523 222 HB2 PRO 537 2HB PRO 537 7.655 -9.233 2.918 223 HB3 PRO 537 1HB PRO 537 5.968 -8.719 2.843 224 HG2 PRO 537 2HG PRO 537 7.087 -10.083 0.836 225 HG3 PRO 537 1HG PRO 537 5.906 -8.794 0.532 226 HD2 PRO 537 2HD PRO 537 8.890 -8.728 0.292 227 HD3 PRO 537 1HD PRO 537 7.657 -8.023 -0.774 228 H ALA 538 H ALA 538 9.887 -6.722 2.212 229 HA ALA 538 HA ALA 538 10.471 -7.081 5.015 230 HB1 ALA 538 1HB ALA 538 11.913 -7.424 2.672 231 HB2 ALA 538 2HB ALA 538 12.537 -7.540 4.318 232 HB3 ALA 538 3HB ALA 538 12.656 -6.018 3.434 233 H ALA 539 H ALA 539 9.958 -4.467 2.792 234 HA ALA 539 HA ALA 539 11.131 -2.437 4.450 235 HB1 ALA 539 1HB ALA 539 9.682 -2.531 1.879 236 HB2 ALA 539 2HB ALA 539 11.160 -1.673 2.316 237 HB3 ALA 539 3HB ALA 539 9.589 -1.024 2.788 238 H GLU 540 H GLU 540 8.129 -4.030 4.177 239 HA GLU 540 HA GLU 540 6.150 -2.425 4.962 240 HB2 GLU 540 2HB GLU 540 6.853 -5.221 5.411 241 HB3 GLU 540 1HB GLU 540 5.689 -4.585 6.571 242 HG2 GLU 540 2HG GLU 540 4.459 -3.706 4.468 243 HG3 GLU 540 1HG GLU 540 5.448 -4.888 3.610 244 H GLY 541 H GLY 541 6.821 -0.646 6.256 245 HA2 GLY 541 2HA GLY 541 6.191 -0.146 8.630 246 HA3 GLY 541 1HA GLY 541 7.395 -1.341 9.063 247 H ILE 542 H ILE 542 8.846 0.094 6.553 248 HA ILE 542 HA ILE 542 10.189 1.996 8.341 249 HB ILE 542 HB ILE 542 11.234 1.127 5.666 250 HG12 ILE 542 2HG1 ILE 542 12.406 -0.184 8.008 251 HG13 ILE 542 1HG1 ILE 542 10.731 -0.648 7.712 252 HG21 ILE 542 1HG2 ILE 542 13.267 1.988 6.356 253 HG22 ILE 542 2HG2 ILE 542 12.843 1.892 8.065 254 HG23 ILE 542 3HG2 ILE 542 12.115 3.132 7.043 255 HD11 ILE 542 3HD1 ILE 542 13.154 -1.251 6.189 256 HD12 ILE 542 1HD1 ILE 542 11.745 -0.804 5.224 257 HD13 ILE 542 2HD1 ILE 542 11.649 -2.158 6.353 258 H TYR 543 H TYR 543 8.440 1.831 5.303 259 HA TYR 543 HA TYR 543 7.871 4.587 5.340 260 HB2 TYR 543 2HB TYR 543 9.245 4.880 3.013 261 HB3 TYR 543 1HB TYR 543 9.849 5.382 4.589 262 HD1 TYR 543 2HD TYR 543 9.591 1.929 3.206 263 HD2 TYR 543 1HD TYR 543 12.160 5.105 4.402 264 HE1 TYR 543 2HE TYR 543 11.537 0.455 2.923 265 HE2 TYR 543 1HE TYR 543 14.113 3.637 4.122 266 HH TYR 543 HH TYR 543 14.673 1.556 2.771 267 H ILE 544 H ILE 544 8.678 3.335 2.205 268 HA ILE 544 HA ILE 544 5.956 3.491 1.375 269 HB ILE 544 HB ILE 544 7.991 2.119 -0.314 270 HG12 ILE 544 2HG1 ILE 544 8.393 4.727 -0.993 271 HG13 ILE 544 1HG1 ILE 544 8.224 4.865 0.753 272 HG21 ILE 544 1HG2 ILE 544 5.735 4.051 -0.794 273 HG22 ILE 544 2HG2 ILE 544 5.812 2.345 -1.233 274 HG23 ILE 544 3HG2 ILE 544 6.844 3.515 -2.055 275 HD11 ILE 544 3HD1 ILE 544 9.966 2.999 0.879 276 HD12 ILE 544 1HD1 ILE 544 10.509 4.605 0.398 277 HD13 ILE 544 2HD1 ILE 544 10.273 3.352 -0.819 278 H GLU 545 H GLU 545 8.248 0.768 1.209 279 HA GLU 545 HA GLU 545 7.956 -1.465 1.624 280 HB2 GLU 545 2HB GLU 545 5.056 -1.048 2.290 281 HB3 GLU 545 1HB GLU 545 6.171 -2.259 2.909 282 HG2 GLU 545 2HG GLU 545 7.062 -0.852 4.472 283 HG3 GLU 545 1HG GLU 545 6.713 0.596 3.542 284 H GLY 546 H GLY 546 6.608 -3.350 0.730 285 HA2 GLY 546 2HA GLY 546 6.395 -3.197 -2.010 286 HA3 GLY 546 1HA GLY 546 5.512 -4.364 -1.032 287 H LEU 547 H LEU 547 3.401 -3.845 -0.311 288 HA LEU 547 HA LEU 547 1.250 -3.274 -0.960 289 HB2 LEU 547 2HB LEU 547 0.791 -0.935 -0.309 290 HB3 LEU 547 1HB LEU 547 1.761 -1.804 0.868 291 HG LEU 547 HG LEU 547 3.794 -0.688 -0.152 292 HD11 LEU 547 1HD1 LEU 547 3.211 1.527 -1.266 293 HD12 LEU 547 2HD1 LEU 547 1.623 0.821 -1.573 294 HD13 LEU 547 3HD1 LEU 547 3.068 0.069 -2.249 295 HD21 LEU 547 3HD2 LEU 547 1.634 0.726 1.349 296 HD22 LEU 547 1HD2 LEU 547 3.116 1.579 0.910 297 HD23 LEU 547 2HD2 LEU 547 3.196 0.133 1.917 298 H MET 548 H MET 548 2.878 -3.466 -3.318 299 HA MET 548 HA MET 548 2.604 -1.200 -4.976 300 HB2 MET 548 2HB MET 548 2.701 -4.027 -5.965 301 HB3 MET 548 1HB MET 548 3.271 -2.571 -6.766 302 HG2 MET 548 2HG MET 548 5.282 -2.799 -5.876 303 HG3 MET 548 1HG MET 548 4.602 -2.863 -4.252 304 HE1 MET 548 3HE MET 548 3.219 -5.665 -3.679 305 HE2 MET 548 1HE MET 548 4.401 -4.643 -2.862 306 HE3 MET 548 2HE MET 548 4.760 -6.345 -3.154 307 H HIS 549 H HIS 549 0.117 -1.692 -3.706 308 HA HIS 549 HA HIS 549 -1.576 -2.254 -6.044 309 HB2 HIS 549 2HB HIS 549 -2.569 -2.491 -3.216 310 HB3 HIS 549 1HB HIS 549 -3.223 -3.217 -4.679 311 HD1 HIS 549 1HD HIS 549 -1.614 -4.219 -1.749 312 HD2 HIS 549 2HD HIS 549 -1.010 -5.110 -5.762 313 HE1 HIS 549 1HE HIS 549 -0.332 -6.381 -1.772 314 HE2 HIS 549 2HE HIS 549 -0.064 -6.950 -4.211 315 H ASN 550 H ASN 550 -0.450 0.023 -3.866 316 HA ASN 550 HA ASN 550 -0.918 2.217 -3.492 317 HB2 ASN 550 2HB ASN 550 -2.451 1.669 -5.992 318 HB3 ASN 550 1HB ASN 550 -2.771 3.176 -5.140 319 HD21 ASN 550 1HD2 ASN 550 0.319 1.509 -5.257 320 HD22 ASN 550 2HD2 ASN 550 1.152 2.726 -6.151 321 H GLN 551 H GLN 551 -3.693 0.068 -3.724 322 HA GLN 551 HA GLN 551 -5.358 -0.277 -2.218 323 HB2 GLN 551 2HB GLN 551 -4.647 2.302 -0.842 324 HB3 GLN 551 1HB GLN 551 -5.581 0.952 -0.217 325 HG2 GLN 551 2HG GLN 551 -3.463 -0.427 -0.522 326 HG3 GLN 551 1HG GLN 551 -2.634 1.120 -0.678 327 HE21 GLN 551 1HE2 GLN 551 -3.764 -1.212 1.448 328 HE22 GLN 551 2HE2 GLN 551 -3.575 -0.333 2.922 329 H ASP 552 H ASP 552 -7.331 -0.050 -2.795 330 HA ASP 552 HA ASP 552 -8.560 2.517 -3.255 331 HB2 ASP 552 2HB ASP 552 -7.891 0.651 -5.493 332 HB3 ASP 552 1HB ASP 552 -9.385 1.577 -5.573 333 H GLY 553 H GLY 553 -9.351 1.064 -1.269 334 HA2 GLY 553 2HA GLY 553 -11.264 0.182 -0.347 335 HA3 GLY 553 1HA GLY 553 -12.013 0.289 -1.931 336 H LEU 554 H LEU 554 -9.323 -1.566 -0.508 337 HA LEU 554 HA LEU 554 -10.439 -3.977 -1.771 338 HB2 LEU 554 2HB LEU 554 -7.620 -3.530 -0.794 339 HB3 LEU 554 1HB LEU 554 -8.208 -4.907 -1.711 340 HG LEU 554 HG LEU 554 -7.838 -2.078 -2.684 341 HD11 LEU 554 1HD1 LEU 554 -6.027 -2.825 -3.788 342 HD12 LEU 554 2HD1 LEU 554 -6.754 -4.392 -4.139 343 HD13 LEU 554 3HD1 LEU 554 -6.040 -4.085 -2.554 344 HD21 LEU 554 3HD2 LEU 554 -9.852 -2.698 -3.704 345 HD22 LEU 554 1HD2 LEU 554 -9.336 -4.373 -3.911 346 HD23 LEU 554 2HD2 LEU 554 -8.615 -3.100 -4.896 347 H ILE 555 H ILE 555 -9.328 -2.580 1.230 348 HA ILE 555 HA ILE 555 -9.971 -5.082 2.631 349 HB ILE 555 HB ILE 555 -8.886 -3.431 4.557 350 HG12 ILE 555 2HG1 ILE 555 -8.217 -1.877 2.667 351 HG13 ILE 555 1HG1 ILE 555 -6.908 -2.413 3.711 352 HG21 ILE 555 1HG2 ILE 555 -8.508 -5.862 4.089 353 HG22 ILE 555 2HG2 ILE 555 -7.076 -4.963 4.590 354 HG23 ILE 555 3HG2 ILE 555 -7.308 -5.376 2.891 355 HD11 ILE 555 3HD1 ILE 555 -6.776 -2.417 1.039 356 HD12 ILE 555 1HD1 ILE 555 -7.391 -4.048 1.311 357 HD13 ILE 555 2HD1 ILE 555 -5.878 -3.539 2.060 358 H CYS 556 H CYS 556 -11.055 -1.877 2.098 359 HA CYS 556 HA CYS 556 -12.654 -1.776 4.512 360 HB2 CYS 556 2HB CYS 556 -11.524 0.195 3.108 361 HB3 CYS 556 1HB CYS 556 -13.073 0.160 2.283 362 H GLY 557 H GLY 557 -13.018 -3.824 2.353 363 HA2 GLY 557 2HA GLY 557 -15.718 -4.255 2.530 364 HA3 GLY 557 1HA GLY 557 -15.479 -3.326 1.051 365 H LEU 558 H LEU 558 -15.452 -4.617 -0.637 366 HA LEU 558 HA LEU 558 -13.599 -6.837 -0.696 367 HB2 LEU 558 2HB LEU 558 -16.313 -7.536 -1.654 368 HB3 LEU 558 1HB LEU 558 -15.066 -8.560 -0.971 369 HG LEU 558 HG LEU 558 -16.618 -6.623 0.727 370 HD11 LEU 558 1HD1 LEU 558 -18.152 -8.169 -0.495 371 HD12 LEU 558 2HD1 LEU 558 -18.189 -8.325 1.262 372 HD13 LEU 558 3HD1 LEU 558 -17.323 -9.514 0.289 373 HD21 LEU 558 3HD2 LEU 558 -15.444 -7.463 2.423 374 HD22 LEU 558 1HD2 LEU 558 -14.409 -8.234 1.221 375 HD23 LEU 558 2HD2 LEU 558 -15.766 -9.121 1.913 376 H ARG 559 H ARG 559 -16.071 -4.945 -2.348 377 HA ARG 559 HA ARG 559 -14.390 -4.942 -4.741 378 HB2 ARG 559 2HB ARG 559 -16.689 -4.994 -6.018 379 HB3 ARG 559 1HB ARG 559 -15.897 -6.487 -5.539 380 HG2 ARG 559 2HG ARG 559 -17.405 -6.889 -3.824 381 HG3 ARG 559 1HG ARG 559 -17.921 -5.203 -3.752 382 HD2 ARG 559 2HD ARG 559 -19.706 -6.061 -4.861 383 HD3 ARG 559 1HD ARG 559 -18.668 -5.734 -6.247 384 HE ARG 559 HE ARG 559 -19.411 -8.322 -5.188 385 HH11 ARG 559 1HH1 ARG 559 -17.232 -6.544 -7.262 386 HH12 ARG 559 2HH1 ARG 559 -16.773 -7.938 -8.178 387 HH21 ARG 559 1HH2 ARG 559 -18.805 -10.150 -6.397 388 HH22 ARG 559 2HH2 ARG 559 -17.664 -9.982 -7.689 389 H GLN 560 H GLN 560 -14.525 -2.958 -2.833 390 HA GLN 560 HA GLN 560 -16.326 -0.939 -2.953 391 HB2 GLN 560 2HB GLN 560 -13.315 -0.686 -2.941 392 HB3 GLN 560 1HB GLN 560 -14.411 0.646 -2.610 393 HG2 GLN 560 2HG GLN 560 -13.828 -1.776 -0.959 394 HG3 GLN 560 1HG GLN 560 -13.794 -0.071 -0.497 395 HE21 GLN 560 1HE2 GLN 560 -15.881 -2.785 -1.268 396 HE22 GLN 560 2HE2 GLN 560 -17.272 -2.202 -0.426 Start of MODEL 7 1 H1 ALA 507 1HT ALA 507 -9.247 -11.158 -1.344 2 H2 ALA 507 2HT ALA 507 -10.741 -11.874 -1.793 3 H3 ALA 507 3HT ALA 507 -9.847 -12.503 -0.469 4 HA ALA 507 HA ALA 507 -11.124 -9.860 -0.646 5 HB1 ALA 507 2HB ALA 507 -11.919 -12.472 0.486 6 HB2 ALA 507 3HB ALA 507 -12.908 -11.166 -0.166 7 HB3 ALA 507 1HB ALA 507 -12.254 -11.044 1.467 8 H GLN 508 H GLN 508 -11.417 -9.269 1.897 9 HA GLN 508 HA GLN 508 -9.350 -9.871 3.676 10 HB2 GLN 508 2HB GLN 508 -8.258 -7.473 3.424 11 HB3 GLN 508 1HB GLN 508 -7.669 -8.853 2.511 12 HG2 GLN 508 2HG GLN 508 -9.782 -7.537 1.069 13 HG3 GLN 508 1HG GLN 508 -8.530 -6.385 1.518 14 HE21 GLN 508 1HE2 GLN 508 -6.233 -7.486 1.249 15 HE22 GLN 508 2HE2 GLN 508 -5.976 -8.177 -0.314 16 HA PRO 509 HA PRO 509 -12.374 -7.395 5.892 17 HB2 PRO 509 2HB PRO 509 -12.245 -8.641 8.178 18 HB3 PRO 509 1HB PRO 509 -12.693 -9.582 6.743 19 HG2 PRO 509 2HG PRO 509 -10.016 -9.333 8.072 20 HG3 PRO 509 1HG PRO 509 -10.862 -10.812 7.571 21 HD2 PRO 509 2HD PRO 509 -8.930 -9.500 6.071 22 HD3 PRO 509 1HD PRO 509 -10.157 -10.594 5.397 23 H LYS 510 H LYS 510 -11.406 -5.367 6.005 24 HA LYS 510 HA LYS 510 -10.162 -4.720 8.519 25 HB2 LYS 510 2HB LYS 510 -8.697 -4.654 5.948 26 HB3 LYS 510 1HB LYS 510 -8.462 -3.285 7.026 27 HG2 LYS 510 2HG LYS 510 -8.084 -6.152 7.846 28 HG3 LYS 510 1HG LYS 510 -6.783 -5.110 7.265 29 HD2 LYS 510 2HD LYS 510 -6.542 -4.218 9.289 30 HD3 LYS 510 1HD LYS 510 -8.244 -3.751 9.321 31 HE2 LYS 510 2HE LYS 510 -8.260 -5.149 11.106 32 HE3 LYS 510 1HE LYS 510 -8.521 -6.352 9.843 33 HZ1 LYS 510 3HZ LYS 510 -6.728 -7.361 10.645 34 HZ2 LYS 510 1HZ LYS 510 -6.308 -6.043 11.618 35 HZ3 LYS 510 2HZ LYS 510 -5.801 -6.099 10.006 36 H CYS 511 H CYS 511 -10.752 -3.360 5.336 37 HA CYS 511 HA CYS 511 -12.039 -1.645 4.625 38 HB2 CYS 511 2HB CYS 511 -13.256 -2.324 7.083 39 HB3 CYS 511 1HB CYS 511 -13.160 -0.569 7.020 40 H ASN 512 H ASN 512 -9.399 -1.273 5.138 41 HA ASN 512 HA ASN 512 -9.388 1.585 5.631 42 HB2 ASN 512 2HB ASN 512 -8.759 0.167 7.762 43 HB3 ASN 512 1HB ASN 512 -7.199 0.041 6.952 44 HD21 ASN 512 1HD2 ASN 512 -6.641 2.341 5.916 45 HD22 ASN 512 2HD2 ASN 512 -6.685 3.631 7.061 46 HA PRO 513 HA PRO 513 -6.336 -0.245 2.411 47 HB2 PRO 513 2HB PRO 513 -7.770 0.136 0.129 48 HB3 PRO 513 1HB PRO 513 -7.757 -1.382 1.023 49 HG2 PRO 513 2HG PRO 513 -9.803 0.790 1.023 50 HG3 PRO 513 1HG PRO 513 -10.024 -0.961 1.048 51 HD2 PRO 513 2HD PRO 513 -10.251 0.592 3.263 52 HD3 PRO 513 1HD PRO 513 -9.706 -1.097 3.316 53 H ASN 514 H ASN 514 -8.603 2.089 0.994 54 HA ASN 514 HA ASN 514 -6.406 3.867 0.415 55 HB2 ASN 514 2HB ASN 514 -7.765 4.806 -1.202 56 HB3 ASN 514 1HB ASN 514 -8.397 3.165 -1.126 57 HD21 ASN 514 1HD2 ASN 514 -10.456 2.823 -0.490 58 HD22 ASN 514 2HD2 ASN 514 -11.570 4.084 -0.096 59 H LEU 515 H LEU 515 -7.707 3.470 3.184 60 HA LEU 515 HA LEU 515 -8.268 6.311 3.699 61 HB2 LEU 515 2HB LEU 515 -9.218 3.827 5.121 62 HB3 LEU 515 1HB LEU 515 -9.393 5.438 5.794 63 HG LEU 515 HG LEU 515 -11.477 4.923 4.809 64 HD11 LEU 515 1HD1 LEU 515 -11.755 6.822 3.646 65 HD12 LEU 515 2HD1 LEU 515 -10.501 6.412 2.477 66 HD13 LEU 515 3HD1 LEU 515 -10.058 7.104 4.038 67 HD21 LEU 515 3HD2 LEU 515 -11.796 4.018 2.622 68 HD22 LEU 515 1HD2 LEU 515 -10.591 3.019 3.435 69 HD23 LEU 515 2HD2 LEU 515 -10.086 4.205 2.233 70 H HIS 516 H HIS 516 -5.676 5.520 3.449 71 HA HIS 516 HA HIS 516 -4.407 6.533 5.662 72 HB2 HIS 516 2HB HIS 516 -5.045 3.681 5.954 73 HB3 HIS 516 1HB HIS 516 -3.348 4.063 6.215 74 HD1 HIS 516 1HD HIS 516 -4.696 3.084 8.631 75 HD2 HIS 516 2HD HIS 516 -4.857 7.091 7.543 76 HE1 HIS 516 1HE HIS 516 -5.228 4.334 10.747 77 HE2 HIS 516 2HE HIS 516 -5.243 6.764 10.079 78 H TYR 517 H TYR 517 -4.303 4.267 3.014 79 HA TYR 517 HA TYR 517 -1.725 3.752 2.501 80 HB2 TYR 517 2HB TYR 517 -2.243 3.596 0.185 81 HB3 TYR 517 1HB TYR 517 -3.717 3.197 1.054 82 HD1 TYR 517 2HD TYR 517 -5.185 5.463 1.563 83 HD2 TYR 517 1HD TYR 517 -2.536 4.858 -1.708 84 HE1 TYR 517 2HE TYR 517 -6.405 7.160 0.268 85 HE2 TYR 517 1HE TYR 517 -3.749 6.553 -3.012 86 HH TYR 517 HH TYR 517 -5.209 8.430 -2.688 87 H TRP 518 H TRP 518 -3.248 6.848 1.673 88 HA TRP 518 HA TRP 518 -1.180 8.151 0.425 89 HB2 TRP 518 2HB TRP 518 -2.224 10.247 1.616 90 HB3 TRP 518 1HB TRP 518 -3.156 9.352 0.419 91 HD1 TRP 518 HD TRP 518 -2.677 8.511 4.174 92 HE1 TRP 518 1HE TRP 518 -4.995 8.323 5.251 93 HE3 TRP 518 3HE TRP 518 -5.537 9.844 0.155 94 HZ2 TRP 518 2HZ TRP 518 -7.693 8.706 4.504 95 HZ3 TRP 518 3HZ TRP 518 -7.982 9.913 0.421 96 HH2 TRP 518 HH TRP 518 -9.037 9.354 2.552 97 H THR 519 H THR 519 -1.342 7.230 3.737 98 HA THR 519 HA THR 519 0.198 9.134 5.015 99 HB THR 519 HB THR 519 -0.993 7.263 6.090 100 HG1 THR 519 1HG THR 519 1.755 7.299 6.762 101 HG21 THR 519 3HG2 THR 519 1.339 5.522 5.440 102 HG22 THR 519 1HG2 THR 519 -0.164 5.504 4.516 103 HG23 THR 519 2HG2 THR 519 -0.180 5.089 6.229 104 H THR 520 H THR 520 1.332 6.138 3.505 105 HA THR 520 HA THR 520 3.985 7.355 3.173 106 HB THR 520 HB THR 520 3.566 5.286 4.843 107 HG1 THR 520 1HG THR 520 5.781 5.507 3.088 108 HG21 THR 520 3HG2 THR 520 4.137 3.958 2.198 109 HG22 THR 520 1HG2 THR 520 2.681 3.761 3.175 110 HG23 THR 520 2HG2 THR 520 4.234 3.189 3.784 111 H GLN 521 H GLN 521 1.504 5.180 2.015 112 HA GLN 521 HA GLN 521 2.803 4.773 -0.532 113 HB2 GLN 521 2HB GLN 521 1.554 2.912 -0.296 114 HB3 GLN 521 1HB GLN 521 0.526 3.655 0.915 115 HG2 GLN 521 2HG GLN 521 -0.738 2.894 -1.008 116 HG3 GLN 521 1HG GLN 521 -0.846 4.641 -0.813 117 HE21 GLN 521 1HE2 GLN 521 -1.031 5.476 -2.741 118 HE22 GLN 521 2HE2 GLN 521 -0.037 5.118 -4.109 119 H ASP 522 H ASP 522 2.279 5.752 -2.439 120 HA ASP 522 HA ASP 522 1.270 7.235 -3.911 121 HB2 ASP 522 2HB ASP 522 -0.733 7.060 -1.966 122 HB3 ASP 522 1HB ASP 522 -0.376 8.778 -2.083 123 H GLU 523 H GLU 523 3.298 7.603 -1.588 124 HA GLU 523 HA GLU 523 4.062 10.297 -2.300 125 HB2 GLU 523 2HB GLU 523 4.359 10.074 0.553 126 HB3 GLU 523 1HB GLU 523 3.519 11.310 -0.371 127 HG2 GLU 523 2HG GLU 523 2.036 8.798 -0.116 128 HG3 GLU 523 1HG GLU 523 2.357 9.608 1.416 129 H GLY 524 H GLY 524 4.597 7.339 -0.573 130 HA2 GLY 524 2HA GLY 524 7.498 7.620 -1.022 131 HA3 GLY 524 1HA GLY 524 6.843 6.913 0.448 132 H ALA 525 H ALA 525 4.660 5.650 -1.294 133 HA ALA 525 HA ALA 525 6.312 3.427 -2.288 134 HB1 ALA 525 1HB ALA 525 4.836 1.898 -1.443 135 HB2 ALA 525 2HB ALA 525 3.460 2.991 -1.575 136 HB3 ALA 525 3HB ALA 525 4.622 3.191 -0.263 137 H ALA 526 H ALA 526 5.322 5.875 -3.646 138 HA ALA 526 HA ALA 526 4.182 4.539 -5.978 139 HB1 ALA 526 1HB ALA 526 2.992 7.037 -4.812 140 HB2 ALA 526 2HB ALA 526 2.284 5.425 -4.701 141 HB3 ALA 526 3HB ALA 526 2.460 6.206 -6.273 142 H ILE 527 H ILE 527 6.488 6.528 -4.770 143 HA ILE 527 HA ILE 527 6.927 7.793 -7.381 144 HB ILE 527 HB ILE 527 8.137 9.471 -5.487 145 HG12 ILE 527 2HG1 ILE 527 6.451 8.240 -3.922 146 HG13 ILE 527 1HG1 ILE 527 6.581 9.994 -3.838 147 HG21 ILE 527 1HG2 ILE 527 7.403 10.652 -7.248 148 HG22 ILE 527 2HG2 ILE 527 5.957 10.868 -6.263 149 HG23 ILE 527 3HG2 ILE 527 6.003 9.611 -7.499 150 HD11 ILE 527 3HD1 ILE 527 4.524 10.315 -4.836 151 HD12 ILE 527 1HD1 ILE 527 4.253 8.877 -3.850 152 HD13 ILE 527 2HD1 ILE 527 4.524 8.719 -5.586 153 H GLY 528 H GLY 528 8.328 6.612 -4.360 154 HA2 GLY 528 2HA GLY 528 11.034 6.820 -5.322 155 HA3 GLY 528 1HA GLY 528 10.514 6.068 -3.821 156 H LEU 529 H LEU 529 10.276 3.874 -3.728 157 HA LEU 529 HA LEU 529 10.437 2.391 -6.249 158 HB2 LEU 529 2HB LEU 529 12.590 2.692 -4.472 159 HB3 LEU 529 1HB LEU 529 12.001 1.058 -4.237 160 HG LEU 529 HG LEU 529 12.150 0.798 -6.770 161 HD11 LEU 529 1HD1 LEU 529 12.992 2.414 -8.066 162 HD12 LEU 529 2HD1 LEU 529 14.231 2.845 -6.887 163 HD13 LEU 529 3HD1 LEU 529 12.598 3.488 -6.725 164 HD21 LEU 529 3HD2 LEU 529 14.736 0.643 -6.601 165 HD22 LEU 529 1HD2 LEU 529 13.736 -0.396 -5.585 166 HD23 LEU 529 2HD2 LEU 529 14.473 1.057 -4.906 167 H ALA 530 H ALA 530 8.240 1.923 -5.910 168 HA ALA 530 HA ALA 530 7.741 -0.089 -3.814 169 HB1 ALA 530 1HB ALA 530 6.290 1.568 -3.178 170 HB2 ALA 530 2HB ALA 530 5.267 0.653 -4.285 171 HB3 ALA 530 3HB ALA 530 6.047 2.136 -4.830 172 H TRP 531 H TRP 531 7.794 0.658 -7.110 173 HA TRP 531 HA TRP 531 5.983 -1.299 -8.115 174 HB2 TRP 531 2HB TRP 531 7.825 -0.774 -10.140 175 HB3 TRP 531 1HB TRP 531 6.316 0.091 -9.869 176 HD1 TRP 531 HD TRP 531 10.080 0.393 -9.173 177 HE1 TRP 531 1HE TRP 531 10.610 2.847 -8.627 178 HE3 TRP 531 3HE TRP 531 5.321 2.245 -9.090 179 HZ2 TRP 531 2HZ TRP 531 9.192 5.267 -8.231 180 HZ3 TRP 531 3HZ TRP 531 4.989 4.635 -8.618 181 HH2 TRP 531 HH TRP 531 6.882 6.114 -8.194 182 H ILE 532 H ILE 532 9.041 -1.480 -6.718 183 HA ILE 532 HA ILE 532 9.932 -3.802 -8.203 184 HB ILE 532 HB ILE 532 11.952 -3.687 -7.023 185 HG12 ILE 532 2HG1 ILE 532 11.056 -3.647 -4.741 186 HG13 ILE 532 1HG1 ILE 532 12.285 -2.406 -4.954 187 HG21 ILE 532 1HG2 ILE 532 12.455 -1.158 -6.910 188 HG22 ILE 532 2HG2 ILE 532 10.809 -0.959 -7.514 189 HG23 ILE 532 3HG2 ILE 532 11.992 -1.864 -8.460 190 HD11 ILE 532 3HD1 ILE 532 10.537 -1.438 -3.703 191 HD12 ILE 532 1HD1 ILE 532 9.312 -2.042 -4.815 192 HD13 ILE 532 2HD1 ILE 532 10.421 -0.774 -5.331 193 HA PRO 533 HA PRO 533 7.911 -6.533 -5.296 194 HB2 PRO 533 2HB PRO 533 8.383 -8.837 -6.546 195 HB3 PRO 533 1HB PRO 533 7.301 -7.627 -7.248 196 HG2 PRO 533 2HG PRO 533 10.136 -8.267 -7.943 197 HG3 PRO 533 1HG PRO 533 8.783 -7.868 -9.014 198 HD2 PRO 533 2HD PRO 533 10.746 -6.087 -8.170 199 HD3 PRO 533 1HD PRO 533 9.161 -5.630 -8.822 200 H TYR 534 H TYR 534 10.435 -5.625 -4.397 201 HA TYR 534 HA TYR 534 11.347 -8.033 -3.050 202 HB2 TYR 534 2HB TYR 534 13.538 -8.015 -3.741 203 HB3 TYR 534 1HB TYR 534 12.732 -7.488 -5.213 204 HD1 TYR 534 1HD TYR 534 12.650 -4.965 -5.677 205 HD2 TYR 534 2HD TYR 534 15.214 -6.713 -2.768 206 HE1 TYR 534 1HE TYR 534 14.067 -2.956 -5.727 207 HE2 TYR 534 2HE TYR 534 16.637 -4.708 -2.808 208 HH TYR 534 HH TYR 534 16.547 -2.397 -3.409 209 H PHE 535 H PHE 535 10.284 -4.999 -2.732 210 HA PHE 535 HA PHE 535 12.150 -4.074 -0.723 211 HB2 PHE 535 2HB PHE 535 10.237 -2.861 -2.408 212 HB3 PHE 535 1HB PHE 535 9.709 -2.563 -0.756 213 HD1 PHE 535 1HD PHE 535 12.489 -2.120 -3.131 214 HD2 PHE 535 2HD PHE 535 10.853 -1.040 0.642 215 HE1 PHE 535 1HE PHE 535 14.130 -0.302 -2.952 216 HE2 PHE 535 2HE PHE 535 12.495 0.782 0.835 217 HZ PHE 535 HZ PHE 535 14.135 1.153 -0.960 218 H GLY 536 H GLY 536 10.383 -6.567 -0.368 219 HA2 GLY 536 2HA GLY 536 8.402 -6.131 1.532 220 HA3 GLY 536 1HA GLY 536 9.369 -7.593 1.425 221 HA PRO 537 HA PRO 537 11.203 -6.496 5.295 222 HB2 PRO 537 2HB PRO 537 13.711 -7.780 4.616 223 HB3 PRO 537 1HB PRO 537 12.433 -8.352 5.689 224 HG2 PRO 537 2HG PRO 537 13.028 -9.524 3.298 225 HG3 PRO 537 1HG PRO 537 11.419 -9.572 4.040 226 HD2 PRO 537 2HD PRO 537 12.442 -7.817 1.839 227 HD3 PRO 537 1HD PRO 537 10.866 -8.622 2.002 228 H ALA 538 H ALA 538 12.334 -5.248 2.414 229 HA ALA 538 HA ALA 538 14.787 -4.078 3.148 230 HB1 ALA 538 1HB ALA 538 12.957 -2.771 1.181 231 HB2 ALA 538 2HB ALA 538 13.662 -4.345 0.814 232 HB3 ALA 538 3HB ALA 538 14.709 -2.962 1.130 233 H ALA 539 H ALA 539 11.503 -2.695 3.034 234 HA ALA 539 HA ALA 539 12.423 -0.374 4.532 235 HB1 ALA 539 1HB ALA 539 10.442 0.676 3.925 236 HB2 ALA 539 2HB ALA 539 9.595 -0.853 3.696 237 HB3 ALA 539 3HB ALA 539 10.804 -0.329 2.521 238 H GLU 540 H GLU 540 10.258 -3.109 4.775 239 HA GLU 540 HA GLU 540 9.049 -3.979 6.498 240 HB2 GLU 540 2HB GLU 540 10.404 -4.592 8.363 241 HB3 GLU 540 1HB GLU 540 11.405 -4.617 6.917 242 HG2 GLU 540 2HG GLU 540 12.493 -2.614 7.513 243 HG3 GLU 540 1HG GLU 540 11.324 -2.273 8.788 244 H GLY 541 H GLY 541 8.722 -1.018 6.175 245 HA2 GLY 541 2HA GLY 541 6.861 -0.159 7.652 246 HA3 GLY 541 1HA GLY 541 7.995 -0.382 8.967 247 H ILE 542 H ILE 542 9.359 0.787 6.032 248 HA ILE 542 HA ILE 542 9.593 3.439 7.274 249 HB ILE 542 HB ILE 542 11.172 2.397 4.929 250 HG12 ILE 542 2HG1 ILE 542 12.415 2.624 7.617 251 HG13 ILE 542 1HG1 ILE 542 11.337 1.256 7.351 252 HG21 ILE 542 1HG2 ILE 542 12.581 4.246 5.230 253 HG22 ILE 542 2HG2 ILE 542 11.915 4.603 6.824 254 HG23 ILE 542 3HG2 ILE 542 10.947 4.894 5.378 255 HD11 ILE 542 3HD1 ILE 542 12.939 1.325 5.099 256 HD12 ILE 542 1HD1 ILE 542 13.062 0.205 6.454 257 HD13 ILE 542 2HD1 ILE 542 14.032 1.678 6.439 258 H TYR 543 H TYR 543 8.768 1.823 4.244 259 HA TYR 543 HA TYR 543 6.948 3.957 3.579 260 HB2 TYR 543 2HB TYR 543 8.325 3.836 1.165 261 HB3 TYR 543 1HB TYR 543 8.345 5.164 2.316 262 HD1 TYR 543 1HD TYR 543 9.973 1.793 2.340 263 HD2 TYR 543 2HD TYR 543 10.480 6.016 2.445 264 HE1 TYR 543 1HE TYR 543 12.392 1.489 2.639 265 HE2 TYR 543 2HE TYR 543 12.902 5.722 2.746 266 HH TYR 543 HH TYR 543 14.319 3.003 3.728 267 H ILE 544 H ILE 544 8.491 1.939 1.142 268 HA ILE 544 HA ILE 544 6.022 0.924 0.227 269 HB ILE 544 HB ILE 544 8.751 -0.231 -0.329 270 HG12 ILE 544 2HG1 ILE 544 8.158 1.358 -2.472 271 HG13 ILE 544 1HG1 ILE 544 7.498 2.308 -1.145 272 HG21 ILE 544 1HG2 ILE 544 6.417 -0.173 -2.202 273 HG22 ILE 544 2HG2 ILE 544 6.569 -1.439 -0.986 274 HG23 ILE 544 3HG2 ILE 544 7.824 -1.235 -2.207 275 HD11 ILE 544 3HD1 ILE 544 10.137 1.295 -0.533 276 HD12 ILE 544 1HD1 ILE 544 9.517 2.945 -0.487 277 HD13 ILE 544 2HD1 ILE 544 10.120 2.271 -2.002 278 H GLU 545 H GLU 545 8.693 -0.652 1.967 279 HA GLU 545 HA GLU 545 8.802 -2.590 3.153 280 HB2 GLU 545 2HB GLU 545 5.954 -2.616 3.894 281 HB3 GLU 545 1HB GLU 545 7.386 -2.663 4.912 282 HG2 GLU 545 2HG GLU 545 7.627 -0.276 4.774 283 HG3 GLU 545 1HG GLU 545 6.316 -0.173 3.603 284 H GLY 546 H GLY 546 7.935 -2.702 0.325 285 HA2 GLY 546 2HA GLY 546 7.657 -4.636 -1.001 286 HA3 GLY 546 1HA GLY 546 6.942 -5.453 0.381 287 H LEU 547 H LEU 547 5.353 -2.799 0.673 288 HA LEU 547 HA LEU 547 2.960 -3.725 -0.422 289 HB2 LEU 547 2HB LEU 547 2.011 -1.877 0.519 290 HB3 LEU 547 1HB LEU 547 3.530 -1.895 1.401 291 HG LEU 547 HG LEU 547 4.334 -0.341 -0.547 292 HD11 LEU 547 1HD1 LEU 547 1.415 -0.450 -0.885 293 HD12 LEU 547 2HD1 LEU 547 2.686 -0.104 -2.056 294 HD13 LEU 547 3HD1 LEU 547 2.145 1.156 -0.943 295 HD21 LEU 547 3HD2 LEU 547 3.398 1.625 0.778 296 HD22 LEU 547 1HD2 LEU 547 4.393 0.459 1.652 297 HD23 LEU 547 2HD2 LEU 547 2.635 0.413 1.806 298 H MET 548 H MET 548 2.186 -3.670 -2.393 299 HA MET 548 HA MET 548 3.139 -1.644 -4.290 300 HB2 MET 548 2HB MET 548 2.697 -4.476 -5.161 301 HB3 MET 548 1HB MET 548 3.532 -3.186 -6.010 302 HG2 MET 548 2HG MET 548 5.465 -3.819 -5.158 303 HG3 MET 548 1HG MET 548 4.842 -3.660 -3.523 304 HE1 MET 548 3HE MET 548 3.504 -6.990 -2.552 305 HE2 MET 548 1HE MET 548 2.431 -6.318 -3.780 306 HE3 MET 548 2HE MET 548 3.184 -5.256 -2.591 307 H HIS 549 H HIS 549 0.528 -3.150 -2.848 308 HA HIS 549 HA HIS 549 -1.282 -3.075 -5.078 309 HB2 HIS 549 2HB HIS 549 -2.068 -3.144 -2.167 310 HB3 HIS 549 1HB HIS 549 -2.962 -3.765 -3.550 311 HD1 HIS 549 1HD HIS 549 -0.800 -4.833 -0.883 312 HD2 HIS 549 2HD HIS 549 -1.544 -6.082 -4.775 313 HE1 HIS 549 1HE HIS 549 0.072 -7.189 -1.011 314 HE2 HIS 549 2HE HIS 549 -0.483 -7.957 -3.345 315 H ASN 550 H ASN 550 -0.192 -0.943 -2.595 316 HA ASN 550 HA ASN 550 -0.424 1.301 -2.340 317 HB2 ASN 550 2HB ASN 550 -2.344 1.335 -4.666 318 HB3 ASN 550 1HB ASN 550 -1.376 2.667 -4.043 319 HD21 ASN 550 1HD2 ASN 550 1.066 1.412 -3.750 320 HD22 ASN 550 2HD2 ASN 550 1.676 0.990 -5.310 321 H GLN 551 H GLN 551 -3.310 -0.662 -2.694 322 HA GLN 551 HA GLN 551 -5.182 -0.756 -1.422 323 HB2 GLN 551 2HB GLN 551 -4.121 1.564 0.176 324 HB3 GLN 551 1HB GLN 551 -5.332 0.387 0.654 325 HG2 GLN 551 2HG GLN 551 -3.538 -1.365 0.422 326 HG3 GLN 551 1HG GLN 551 -2.389 -0.031 0.318 327 HE21 GLN 551 1HE2 GLN 551 -1.586 0.725 2.148 328 HE22 GLN 551 2HE2 GLN 551 -2.218 0.434 3.728 329 H ASP 552 H ASP 552 -7.025 -0.159 -2.173 330 HA ASP 552 HA ASP 552 -7.757 2.607 -2.508 331 HB2 ASP 552 2HB ASP 552 -6.456 1.606 -4.627 332 HB3 ASP 552 1HB ASP 552 -8.084 1.063 -5.017 333 H GLY 553 H GLY 553 -9.043 1.100 -0.790 334 HA2 GLY 553 2HA GLY 553 -11.174 0.453 -0.216 335 HA3 GLY 553 1HA GLY 553 -11.685 0.964 -1.812 336 H LEU 554 H LEU 554 -9.157 -1.388 -1.531 337 HA LEU 554 HA LEU 554 -10.816 -3.344 -2.873 338 HB2 LEU 554 2HB LEU 554 -8.034 -3.877 -1.905 339 HB3 LEU 554 1HB LEU 554 -8.858 -4.535 -3.305 340 HG LEU 554 HG LEU 554 -7.893 -1.687 -3.052 341 HD11 LEU 554 1HD1 LEU 554 -6.296 -3.830 -3.334 342 HD12 LEU 554 2HD1 LEU 554 -5.963 -2.259 -4.067 343 HD13 LEU 554 3HD1 LEU 554 -6.716 -3.535 -5.023 344 HD21 LEU 554 3HD2 LEU 554 -9.444 -3.180 -5.104 345 HD22 LEU 554 1HD2 LEU 554 -8.261 -1.989 -5.648 346 HD23 LEU 554 2HD2 LEU 554 -9.580 -1.500 -4.583 347 H ILE 555 H ILE 555 -9.613 -2.715 0.306 348 HA ILE 555 HA ILE 555 -10.263 -5.389 1.261 349 HB ILE 555 HB ILE 555 -9.353 -3.091 2.978 350 HG12 ILE 555 2HG1 ILE 555 -7.328 -5.014 1.961 351 HG13 ILE 555 1HG1 ILE 555 -7.885 -3.792 0.824 352 HG21 ILE 555 1HG2 ILE 555 -9.900 -4.787 4.396 353 HG22 ILE 555 2HG2 ILE 555 -8.223 -5.214 4.060 354 HG23 ILE 555 3HG2 ILE 555 -9.530 -6.038 3.215 355 HD11 ILE 555 3HD1 ILE 555 -7.382 -2.325 3.078 356 HD12 ILE 555 1HD1 ILE 555 -6.296 -2.511 1.701 357 HD13 ILE 555 2HD1 ILE 555 -6.116 -3.552 3.116 358 H CYS 556 H CYS 556 -11.295 -2.044 1.685 359 HA CYS 556 HA CYS 556 -13.314 -2.618 3.594 360 HB2 CYS 556 2HB CYS 556 -12.077 -0.387 3.094 361 HB3 CYS 556 1HB CYS 556 -13.291 -0.175 1.841 362 H GLY 557 H GLY 557 -13.563 -1.555 0.189 363 HA2 GLY 557 2HA GLY 557 -16.281 -2.693 0.164 364 HA3 GLY 557 1HA GLY 557 -15.707 -1.433 -0.909 365 H LEU 558 H LEU 558 -13.148 -3.012 -1.283 366 HA LEU 558 HA LEU 558 -12.288 -4.575 -2.703 367 HB2 LEU 558 2HB LEU 558 -14.961 -5.940 -2.610 368 HB3 LEU 558 1HB LEU 558 -13.399 -6.659 -2.962 369 HG LEU 558 HG LEU 558 -12.953 -5.740 -0.453 370 HD11 LEU 558 1HD1 LEU 558 -15.860 -5.925 -0.811 371 HD12 LEU 558 2HD1 LEU 558 -14.912 -5.038 0.383 372 HD13 LEU 558 3HD1 LEU 558 -15.224 -6.760 0.606 373 HD21 LEU 558 3HD2 LEU 558 -14.098 -8.370 -1.361 374 HD22 LEU 558 1HD2 LEU 558 -13.504 -8.088 0.275 375 HD23 LEU 558 2HD2 LEU 558 -12.405 -7.954 -1.098 376 H ARG 559 H ARG 559 -14.246 -2.313 -3.549 377 HA ARG 559 HA ARG 559 -14.060 -2.840 -6.358 378 HB2 ARG 559 2HB ARG 559 -16.715 -2.329 -6.402 379 HB3 ARG 559 1HB ARG 559 -16.028 -3.947 -6.461 380 HG2 ARG 559 2HG ARG 559 -16.417 -4.294 -4.145 381 HG3 ARG 559 1HG ARG 559 -16.814 -2.594 -3.893 382 HD2 ARG 559 2HD ARG 559 -18.509 -3.675 -5.930 383 HD3 ARG 559 1HD ARG 559 -18.563 -4.718 -4.510 384 HE ARG 559 HE ARG 559 -19.692 -2.115 -4.765 385 HH11 ARG 559 1HH1 ARG 559 -18.225 -4.310 -2.482 386 HH12 ARG 559 2HH1 ARG 559 -19.018 -3.611 -1.111 387 HH21 ARG 559 1HH2 ARG 559 -20.736 -1.195 -2.962 388 HH22 ARG 559 2HH2 ARG 559 -20.443 -1.843 -1.382 389 H GLN 560 H GLN 560 -13.546 -0.761 -4.127 390 HA GLN 560 HA GLN 560 -15.079 1.532 -4.785 391 HB2 GLN 560 2HB GLN 560 -12.376 1.259 -3.466 392 HB3 GLN 560 1HB GLN 560 -13.229 2.784 -3.625 393 HG2 GLN 560 2HG GLN 560 -13.574 0.654 -1.689 394 HG3 GLN 560 1HG GLN 560 -14.085 2.338 -1.619 395 HE21 GLN 560 1HE2 GLN 560 -14.940 -0.868 -2.722 396 HE22 GLN 560 2HE2 GLN 560 -16.642 -0.607 -2.817 Start of MODEL 8 1 H1 ALA 507 1HT ALA 507 -9.657 -11.718 -0.142 2 H2 ALA 507 2HT ALA 507 -11.022 -11.667 -1.181 3 H3 ALA 507 3HT ALA 507 -11.039 -12.663 0.217 4 HA ALA 507 HA ALA 507 -11.218 -9.759 -0.010 5 HB1 ALA 507 2HB ALA 507 -13.175 -10.022 1.294 6 HB2 ALA 507 3HB ALA 507 -12.762 -11.686 1.707 7 HB3 ALA 507 1HB ALA 507 -13.230 -11.276 0.057 8 H GLN 508 H GLN 508 -11.504 -8.778 2.282 9 HA GLN 508 HA GLN 508 -10.073 -9.909 4.444 10 HB2 GLN 508 2HB GLN 508 -8.243 -8.066 4.363 11 HB3 GLN 508 1HB GLN 508 -8.039 -9.530 3.414 12 HG2 GLN 508 2HG GLN 508 -9.114 -8.188 1.500 13 HG3 GLN 508 1HG GLN 508 -8.745 -6.776 2.489 14 HE21 GLN 508 1HE2 GLN 508 -7.554 -6.577 0.262 15 HE22 GLN 508 2HE2 GLN 508 -5.895 -7.058 0.297 16 HA PRO 509 HA PRO 509 -12.486 -6.493 6.080 17 HB2 PRO 509 2HB PRO 509 -13.056 -7.544 8.402 18 HB3 PRO 509 1HB PRO 509 -13.586 -8.402 6.943 19 HG2 PRO 509 2HG PRO 509 -11.168 -8.895 8.644 20 HG3 PRO 509 1HG PRO 509 -12.364 -10.073 8.066 21 HD2 PRO 509 2HD PRO 509 -9.940 -9.543 6.830 22 HD3 PRO 509 1HD PRO 509 -11.352 -10.237 6.008 23 H LYS 510 H LYS 510 -11.082 -4.807 6.339 24 HA LYS 510 HA LYS 510 -9.880 -4.495 8.959 25 HB2 LYS 510 2HB LYS 510 -8.320 -4.656 6.431 26 HB3 LYS 510 1HB LYS 510 -7.814 -3.478 7.632 27 HG2 LYS 510 2HG LYS 510 -7.083 -5.058 9.077 28 HG3 LYS 510 1HG LYS 510 -8.314 -6.226 8.595 29 HD2 LYS 510 2HD LYS 510 -6.116 -6.996 7.913 30 HD3 LYS 510 1HD LYS 510 -7.093 -6.616 6.494 31 HE2 LYS 510 2HE LYS 510 -5.093 -5.618 5.947 32 HE3 LYS 510 1HE LYS 510 -5.957 -4.275 6.696 33 HZ1 LYS 510 3HZ LYS 510 -3.768 -5.911 7.817 34 HZ2 LYS 510 1HZ LYS 510 -4.805 -5.032 8.826 35 HZ3 LYS 510 2HZ LYS 510 -3.865 -4.228 7.671 36 H CYS 511 H CYS 511 -10.321 -3.076 5.794 37 HA CYS 511 HA CYS 511 -11.159 -1.106 5.102 38 HB2 CYS 511 2HB CYS 511 -12.232 -1.350 7.753 39 HB3 CYS 511 1HB CYS 511 -11.865 0.335 7.405 40 H ASN 512 H ASN 512 -8.490 -1.349 5.355 41 HA ASN 512 HA ASN 512 -7.751 1.398 6.034 42 HB2 ASN 512 2HB ASN 512 -6.939 -0.016 7.851 43 HB3 ASN 512 1HB ASN 512 -6.110 -1.053 6.697 44 HD21 ASN 512 1HD2 ASN 512 -6.146 2.377 6.165 45 HD22 ASN 512 2HD2 ASN 512 -4.501 2.663 6.600 46 HA PRO 513 HA PRO 513 -5.974 -0.161 1.921 47 HB2 PRO 513 2HB PRO 513 -7.889 0.173 0.121 48 HB3 PRO 513 1HB PRO 513 -7.899 -1.242 1.173 49 HG2 PRO 513 2HG PRO 513 -9.461 1.306 1.440 50 HG3 PRO 513 1HG PRO 513 -10.027 -0.365 1.592 51 HD2 PRO 513 2HD PRO 513 -9.362 1.219 3.730 52 HD3 PRO 513 1HD PRO 513 -9.276 -0.553 3.743 53 H ASN 514 H ASN 514 -8.149 1.943 0.323 54 HA ASN 514 HA ASN 514 -6.077 3.879 -0.054 55 HB2 ASN 514 2HB ASN 514 -7.361 4.710 -1.810 56 HB3 ASN 514 1HB ASN 514 -7.789 3.003 -1.779 57 HD21 ASN 514 1HD2 ASN 514 -9.835 2.390 -1.081 58 HD22 ASN 514 2HD2 ASN 514 -11.135 3.517 -0.936 59 H LEU 515 H LEU 515 -8.008 3.502 2.491 60 HA LEU 515 HA LEU 515 -8.673 6.336 2.787 61 HB2 LEU 515 2HB LEU 515 -9.453 3.952 4.471 62 HB3 LEU 515 1HB LEU 515 -9.975 5.603 4.753 63 HG LEU 515 HG LEU 515 -11.794 4.586 3.672 64 HD11 LEU 515 1HD1 LEU 515 -11.890 5.661 1.452 65 HD12 LEU 515 2HD1 LEU 515 -10.163 6.009 1.568 66 HD13 LEU 515 3HD1 LEU 515 -11.290 6.745 2.708 67 HD21 LEU 515 3HD2 LEU 515 -11.688 2.868 2.218 68 HD22 LEU 515 1HD2 LEU 515 -10.013 2.747 2.763 69 HD23 LEU 515 2HD2 LEU 515 -10.395 3.615 1.278 70 H HIS 516 H HIS 516 -6.011 5.658 2.773 71 HA HIS 516 HA HIS 516 -4.977 6.976 4.968 72 HB2 HIS 516 2HB HIS 516 -5.747 4.527 5.850 73 HB3 HIS 516 1HB HIS 516 -4.100 4.174 5.343 74 HD1 HIS 516 1HD HIS 516 -5.583 4.648 8.327 75 HD2 HIS 516 2HD HIS 516 -2.570 6.807 6.450 76 HE1 HIS 516 1HE HIS 516 -4.366 5.848 10.172 77 HE2 HIS 516 2HE HIS 516 -2.608 7.223 9.002 78 H TYR 517 H TYR 517 -4.553 4.614 2.440 79 HA TYR 517 HA TYR 517 -1.913 4.288 2.087 80 HB2 TYR 517 2HB TYR 517 -2.315 3.919 -0.212 81 HB3 TYR 517 1HB TYR 517 -3.832 3.535 0.588 82 HD1 TYR 517 2HD TYR 517 -5.328 5.861 0.876 83 HD2 TYR 517 1HD TYR 517 -2.595 4.948 -2.252 84 HE1 TYR 517 2HE TYR 517 -6.525 7.412 -0.611 85 HE2 TYR 517 1HE TYR 517 -3.780 6.498 -3.748 86 HH TYR 517 HH TYR 517 -6.426 7.417 -3.725 87 H TRP 518 H TRP 518 -3.673 7.242 1.277 88 HA TRP 518 HA TRP 518 -1.526 8.637 0.085 89 HB2 TRP 518 2HB TRP 518 -2.955 10.677 0.793 90 HB3 TRP 518 1HB TRP 518 -3.663 9.527 -0.337 91 HD1 TRP 518 HD TRP 518 -3.543 8.612 3.354 92 HE1 TRP 518 1HE TRP 518 -5.933 8.592 4.290 93 HE3 TRP 518 3HE TRP 518 -5.990 10.619 -0.653 94 HZ2 TRP 518 2HZ TRP 518 -8.528 9.339 3.443 95 HZ3 TRP 518 3HZ TRP 518 -8.428 10.936 -0.512 96 HH2 TRP 518 HH TRP 518 -9.669 10.306 1.494 97 H THR 519 H THR 519 0.216 8.084 1.577 98 HA THR 519 HA THR 519 0.729 10.159 3.456 99 HB THR 519 HB THR 519 -0.761 8.943 4.874 100 HG1 THR 519 1HG THR 519 1.871 8.190 5.598 101 HG21 THR 519 3HG2 THR 519 0.827 6.449 4.813 102 HG22 THR 519 1HG2 THR 519 -0.327 6.744 3.510 103 HG23 THR 519 2HG2 THR 519 -0.878 6.703 5.189 104 H THR 520 H THR 520 1.496 6.752 2.846 105 HA THR 520 HA THR 520 4.331 7.484 2.621 106 HB THR 520 HB THR 520 3.859 6.169 4.678 107 HG1 THR 520 1HG THR 520 5.403 4.991 2.630 108 HG21 THR 520 3HG2 THR 520 2.417 4.469 2.825 109 HG22 THR 520 1HG2 THR 520 2.338 4.557 4.584 110 HG23 THR 520 2HG2 THR 520 3.583 3.581 3.806 111 H GLN 521 H GLN 521 1.624 6.462 1.038 112 HA GLN 521 HA GLN 521 3.031 4.738 -0.818 113 HB2 GLN 521 2HB GLN 521 0.993 3.869 -1.445 114 HB3 GLN 521 1HB GLN 521 0.628 4.351 0.206 115 HG2 GLN 521 2HG GLN 521 -1.184 5.157 -0.937 116 HG3 GLN 521 1HG GLN 521 -0.140 6.573 -0.879 117 HE21 GLN 521 1HE2 GLN 521 -0.462 7.639 -2.684 118 HE22 GLN 521 2HE2 GLN 521 -0.428 6.976 -4.277 119 H ASP 522 H ASP 522 1.396 7.786 -0.598 120 HA ASP 522 HA ASP 522 1.901 8.438 -3.386 121 HB2 ASP 522 2HB ASP 522 -0.047 9.210 -1.538 122 HB3 ASP 522 1HB ASP 522 0.944 10.646 -1.769 123 H GLU 523 H GLU 523 3.717 8.308 -0.782 124 HA GLU 523 HA GLU 523 5.460 10.502 -1.627 125 HB2 GLU 523 2HB GLU 523 5.360 9.846 1.274 126 HB3 GLU 523 1HB GLU 523 5.693 11.382 0.483 127 HG2 GLU 523 2HG GLU 523 3.169 11.222 -0.195 128 HG3 GLU 523 1HG GLU 523 3.083 10.139 1.197 129 H GLY 524 H GLY 524 4.955 7.330 -0.421 130 HA2 GLY 524 2HA GLY 524 7.847 6.788 -0.552 131 HA3 GLY 524 1HA GLY 524 6.740 5.928 0.510 132 H ALA 525 H ALA 525 4.646 5.877 -1.602 133 HA ALA 525 HA ALA 525 5.764 3.646 -3.147 134 HB1 ALA 525 1HB ALA 525 3.535 2.790 -3.346 135 HB2 ALA 525 2HB ALA 525 2.849 4.275 -2.688 136 HB3 ALA 525 3HB ALA 525 3.800 3.211 -1.654 137 H ALA 526 H ALA 526 5.910 6.575 -3.690 138 HA ALA 526 HA ALA 526 5.017 6.458 -6.476 139 HB1 ALA 526 1HB ALA 526 4.327 8.582 -4.482 140 HB2 ALA 526 2HB ALA 526 3.259 7.694 -5.573 141 HB3 ALA 526 3HB ALA 526 4.357 8.916 -6.215 142 H ILE 527 H ILE 527 7.481 7.028 -4.333 143 HA ILE 527 HA ILE 527 9.071 8.359 -6.384 144 HB ILE 527 HB ILE 527 10.028 9.528 -4.069 145 HG12 ILE 527 2HG1 ILE 527 7.673 8.681 -3.181 146 HG13 ILE 527 1HG1 ILE 527 8.323 10.242 -2.699 147 HG21 ILE 527 1HG2 ILE 527 10.022 10.749 -6.051 148 HG22 ILE 527 2HG2 ILE 527 8.860 11.599 -5.031 149 HG23 ILE 527 3HG2 ILE 527 8.291 10.517 -6.302 150 HD11 ILE 527 3HD1 ILE 527 6.552 10.082 -5.087 151 HD12 ILE 527 1HD1 ILE 527 6.796 11.407 -3.949 152 HD13 ILE 527 2HD1 ILE 527 5.846 10.000 -3.474 153 H GLY 528 H GLY 528 8.927 6.581 -3.342 154 HA2 GLY 528 2HA GLY 528 11.713 6.105 -3.113 155 HA3 GLY 528 1HA GLY 528 10.444 5.204 -2.301 156 H LEU 529 H LEU 529 10.946 3.119 -2.636 157 HA LEU 529 HA LEU 529 11.397 2.297 -5.429 158 HB2 LEU 529 2HB LEU 529 12.815 1.563 -2.930 159 HB3 LEU 529 1HB LEU 529 12.608 0.313 -4.140 160 HG LEU 529 HG LEU 529 13.821 1.599 -5.774 161 HD11 LEU 529 1HD1 LEU 529 13.535 3.771 -3.756 162 HD12 LEU 529 2HD1 LEU 529 13.320 3.821 -5.505 163 HD13 LEU 529 3HD1 LEU 529 14.943 3.764 -4.818 164 HD21 LEU 529 3HD2 LEU 529 15.967 2.042 -4.260 165 HD22 LEU 529 1HD2 LEU 529 15.425 0.420 -4.685 166 HD23 LEU 529 2HD2 LEU 529 15.017 1.101 -3.112 167 H ALA 530 H ALA 530 9.034 2.061 -5.446 168 HA ALA 530 HA ALA 530 8.068 -0.382 -4.107 169 HB1 ALA 530 1HB ALA 530 6.068 1.098 -5.600 170 HB2 ALA 530 2HB ALA 530 6.885 2.115 -4.413 171 HB3 ALA 530 3HB ALA 530 6.083 0.630 -3.899 172 H TRP 531 H TRP 531 8.633 1.176 -7.129 173 HA TRP 531 HA TRP 531 7.398 -0.712 -8.868 174 HB2 TRP 531 2HB TRP 531 9.199 0.511 -10.459 175 HB3 TRP 531 1HB TRP 531 7.697 1.289 -9.968 176 HD1 TRP 531 HD TRP 531 11.311 1.048 -8.569 177 HE1 TRP 531 1HE TRP 531 11.905 3.321 -7.532 178 HE3 TRP 531 3HE TRP 531 6.900 3.483 -9.404 179 HZ2 TRP 531 2HZ TRP 531 10.664 5.843 -7.143 180 HZ3 TRP 531 3HZ TRP 531 6.679 5.820 -8.669 181 HH2 TRP 531 HH TRP 531 8.518 6.974 -7.558 182 H ILE 532 H ILE 532 10.287 -0.685 -7.076 183 HA ILE 532 HA ILE 532 11.526 -2.735 -8.777 184 HB ILE 532 HB ILE 532 12.968 -0.873 -8.498 185 HG12 ILE 532 2HG1 ILE 532 13.815 -2.996 -6.514 186 HG13 ILE 532 1HG1 ILE 532 14.103 -3.032 -8.254 187 HG21 ILE 532 1HG2 ILE 532 13.564 -0.499 -5.858 188 HG22 ILE 532 2HG2 ILE 532 11.830 -0.816 -5.812 189 HG23 ILE 532 3HG2 ILE 532 12.460 0.494 -6.810 190 HD11 ILE 532 3HD1 ILE 532 15.925 -1.794 -8.045 191 HD12 ILE 532 1HD1 ILE 532 15.766 -1.981 -6.297 192 HD13 ILE 532 2HD1 ILE 532 15.056 -0.578 -7.104 193 HA PRO 533 HA PRO 533 9.979 -5.277 -5.276 194 HB2 PRO 533 2HB PRO 533 10.559 -7.453 -7.179 195 HB3 PRO 533 1HB PRO 533 9.057 -7.073 -6.332 196 HG2 PRO 533 2HG PRO 533 9.329 -6.655 -8.967 197 HG3 PRO 533 1HG PRO 533 8.371 -5.569 -7.943 198 HD2 PRO 533 2HD PRO 533 11.142 -5.207 -9.023 199 HD3 PRO 533 1HD PRO 533 9.824 -4.027 -8.881 200 H TYR 534 H TYR 534 11.841 -4.888 -4.011 201 HA TYR 534 HA TYR 534 14.002 -6.842 -4.413 202 HB2 TYR 534 2HB TYR 534 14.857 -4.627 -4.868 203 HB3 TYR 534 1HB TYR 534 14.174 -4.011 -3.367 204 HD1 TYR 534 1HD TYR 534 15.772 -7.290 -3.430 205 HD2 TYR 534 2HD TYR 534 16.340 -3.148 -2.669 206 HE1 TYR 534 1HE TYR 534 17.884 -7.800 -2.270 207 HE2 TYR 534 2HE TYR 534 18.452 -3.641 -1.506 208 HH TYR 534 HH TYR 534 19.380 -6.839 -0.658 209 H PHE 535 H PHE 535 12.197 -4.928 -2.033 210 HA PHE 535 HA PHE 535 12.784 -7.014 -0.036 211 HB2 PHE 535 2HB PHE 535 12.135 -4.908 1.527 212 HB3 PHE 535 1HB PHE 535 13.784 -5.287 1.048 213 HD1 PHE 535 1HD PHE 535 14.620 -4.171 -1.144 214 HD2 PHE 535 2HD PHE 535 11.275 -2.809 1.106 215 HE1 PHE 535 1HE PHE 535 14.827 -1.953 -2.188 216 HE2 PHE 535 2HE PHE 535 11.477 -0.588 0.068 217 HZ PHE 535 HZ PHE 535 13.254 -0.156 -1.582 218 H GLY 536 H GLY 536 10.388 -4.716 -1.247 219 HA2 GLY 536 2HA GLY 536 8.098 -4.700 -1.125 220 HA3 GLY 536 1HA GLY 536 8.221 -6.447 -0.994 221 HA PRO 537 HA PRO 537 6.282 -5.888 2.981 222 HB2 PRO 537 2HB PRO 537 6.839 -8.375 3.993 223 HB3 PRO 537 1HB PRO 537 5.513 -8.036 2.877 224 HG2 PRO 537 2HG PRO 537 8.232 -9.147 2.308 225 HG3 PRO 537 1HG PRO 537 6.659 -9.641 1.652 226 HD2 PRO 537 2HD PRO 537 8.359 -8.107 0.246 227 HD3 PRO 537 1HD PRO 537 6.600 -7.889 0.139 228 H ALA 538 H ALA 538 9.602 -6.526 2.452 229 HA ALA 538 HA ALA 538 10.487 -6.661 5.144 230 HB1 ALA 538 1HB ALA 538 11.658 -6.896 2.615 231 HB2 ALA 538 2HB ALA 538 12.440 -7.110 4.180 232 HB3 ALA 538 3HB ALA 538 12.472 -5.535 3.386 233 H ALA 539 H ALA 539 9.598 -4.075 3.025 234 HA ALA 539 HA ALA 539 10.782 -2.045 4.749 235 HB1 ALA 539 1HB ALA 539 11.095 -1.399 2.567 236 HB2 ALA 539 2HB ALA 539 9.602 -0.547 2.968 237 HB3 ALA 539 3HB ALA 539 9.541 -2.050 2.045 238 H GLU 540 H GLU 540 7.950 -3.781 4.444 239 HA GLU 540 HA GLU 540 5.817 -2.203 4.778 240 HB2 GLU 540 2HB GLU 540 4.727 -4.018 5.767 241 HB3 GLU 540 1HB GLU 540 6.007 -4.730 4.791 242 HG2 GLU 540 2HG GLU 540 7.385 -4.813 6.916 243 HG3 GLU 540 1HG GLU 540 5.891 -4.440 7.777 244 H GLY 541 H GLY 541 5.656 -0.387 5.882 245 HA2 GLY 541 2HA GLY 541 4.989 0.625 7.921 246 HA3 GLY 541 1HA GLY 541 6.007 -0.509 8.786 247 H ILE 542 H ILE 542 7.968 0.377 6.394 248 HA ILE 542 HA ILE 542 9.110 2.530 8.022 249 HB ILE 542 HB ILE 542 10.549 1.144 5.789 250 HG12 ILE 542 2HG1 ILE 542 11.071 0.174 8.516 251 HG13 ILE 542 1HG1 ILE 542 9.487 -0.262 7.878 252 HG21 ILE 542 1HG2 ILE 542 12.450 2.063 6.654 253 HG22 ILE 542 2HG2 ILE 542 11.819 2.092 8.300 254 HG23 ILE 542 3HG2 ILE 542 11.284 3.297 7.128 255 HD11 ILE 542 3HD1 ILE 542 11.926 -1.519 7.395 256 HD12 ILE 542 1HD1 ILE 542 11.490 -0.700 5.895 257 HD13 ILE 542 2HD1 ILE 542 10.367 -1.842 6.634 258 H TYR 543 H TYR 543 8.000 1.787 4.768 259 HA TYR 543 HA TYR 543 7.477 4.484 4.186 260 HB2 TYR 543 2HB TYR 543 9.363 4.402 2.210 261 HB3 TYR 543 1HB TYR 543 9.547 5.241 3.746 262 HD1 TYR 543 2HD TYR 543 9.732 1.584 2.997 263 HD2 TYR 543 1HD TYR 543 11.801 5.080 4.265 264 HE1 TYR 543 2HE TYR 543 11.717 0.223 3.493 265 HE2 TYR 543 1HE TYR 543 13.791 3.727 4.764 266 HH TYR 543 HH TYR 543 14.733 1.456 3.924 267 H ILE 544 H ILE 544 8.998 2.689 1.622 268 HA ILE 544 HA ILE 544 6.642 2.759 0.052 269 HB ILE 544 HB ILE 544 9.046 1.086 -0.596 270 HG12 ILE 544 2HG1 ILE 544 9.460 3.577 -1.757 271 HG13 ILE 544 1HG1 ILE 544 8.925 3.963 -0.128 272 HG21 ILE 544 1HG2 ILE 544 6.763 2.258 -2.040 273 HG22 ILE 544 2HG2 ILE 544 7.680 0.786 -2.361 274 HG23 ILE 544 3HG2 ILE 544 8.322 2.351 -2.859 275 HD11 ILE 544 3HD1 ILE 544 11.012 1.883 -0.429 276 HD12 ILE 544 1HD1 ILE 544 10.780 3.084 0.842 277 HD13 ILE 544 2HD1 ILE 544 11.466 3.564 -0.711 278 H GLU 545 H GLU 545 8.303 0.153 1.768 279 HA GLU 545 HA GLU 545 7.670 -1.978 2.274 280 HB2 GLU 545 2HB GLU 545 4.814 -1.264 1.733 281 HB3 GLU 545 1HB GLU 545 5.487 -2.280 2.998 282 HG2 GLU 545 2HG GLU 545 6.277 -0.373 4.209 283 HG3 GLU 545 1HG GLU 545 5.851 0.703 2.881 284 H GLY 546 H GLY 546 5.629 -3.608 1.364 285 HA2 GLY 546 2HA GLY 546 6.319 -3.851 -1.494 286 HA3 GLY 546 1HA GLY 546 5.961 -5.210 -0.437 287 H LEU 547 H LEU 547 4.303 -2.122 -1.011 288 HA LEU 547 HA LEU 547 1.760 -3.466 -1.085 289 HB2 LEU 547 2HB LEU 547 0.918 -1.096 -1.563 290 HB3 LEU 547 1HB LEU 547 1.643 -1.419 0.000 291 HG LEU 547 HG LEU 547 3.744 -0.519 -1.645 292 HD11 LEU 547 1HD1 LEU 547 2.898 0.896 -3.121 293 HD12 LEU 547 2HD1 LEU 547 2.176 1.823 -1.806 294 HD13 LEU 547 3HD1 LEU 547 1.262 0.527 -2.578 295 HD21 LEU 547 3HD2 LEU 547 2.156 0.795 0.551 296 HD22 LEU 547 1HD2 LEU 547 3.667 1.432 -0.098 297 HD23 LEU 547 2HD2 LEU 547 3.646 -0.133 0.713 298 H MET 548 H MET 548 3.055 -1.071 -3.379 299 HA MET 548 HA MET 548 3.103 -0.973 -5.644 300 HB2 MET 548 2HB MET 548 2.612 -3.936 -5.407 301 HB3 MET 548 1HB MET 548 2.854 -3.115 -6.939 302 HG2 MET 548 2HG MET 548 5.067 -2.874 -6.620 303 HG3 MET 548 1HG MET 548 4.901 -2.616 -4.885 304 HE1 MET 548 3HE MET 548 3.179 -5.766 -4.286 305 HE2 MET 548 1HE MET 548 3.904 -4.405 -3.432 306 HE3 MET 548 2HE MET 548 4.651 -5.999 -3.341 307 H HIS 549 H HIS 549 0.337 -2.209 -4.018 308 HA HIS 549 HA HIS 549 -1.395 -1.917 -6.328 309 HB2 HIS 549 2HB HIS 549 -3.139 -2.353 -4.331 310 HB3 HIS 549 1HB HIS 549 -2.277 -3.657 -5.141 311 HD1 HIS 549 1HD HIS 549 -1.145 -1.343 -2.343 312 HD2 HIS 549 2HD HIS 549 -1.609 -5.388 -3.169 313 HE1 HIS 549 1HE HIS 549 -0.183 -2.545 -0.362 314 HE2 HIS 549 2HE HIS 549 -0.593 -4.989 -0.823 315 H ASN 550 H ASN 550 -0.314 -0.088 -3.628 316 HA ASN 550 HA ASN 550 -0.646 2.083 -3.028 317 HB2 ASN 550 2HB ASN 550 -2.391 2.227 -5.499 318 HB3 ASN 550 1HB ASN 550 -1.839 3.604 -4.554 319 HD21 ASN 550 1HD2 ASN 550 -0.881 1.051 -6.727 320 HD22 ASN 550 2HD2 ASN 550 0.638 1.737 -7.177 321 H GLN 551 H GLN 551 -3.061 -0.227 -3.108 322 HA GLN 551 HA GLN 551 -4.904 -0.551 -1.858 323 HB2 GLN 551 2HB GLN 551 -4.326 2.084 -0.531 324 HB3 GLN 551 1HB GLN 551 -5.263 0.737 0.099 325 HG2 GLN 551 2HG GLN 551 -3.141 -0.624 -0.043 326 HG3 GLN 551 1HG GLN 551 -2.301 0.906 -0.292 327 HE21 GLN 551 1HE2 GLN 551 -3.130 -1.301 1.966 328 HE22 GLN 551 2HE2 GLN 551 -3.100 -0.311 3.382 329 H ASP 552 H ASP 552 -6.807 -0.450 -2.659 330 HA ASP 552 HA ASP 552 -8.122 2.073 -3.215 331 HB2 ASP 552 2HB ASP 552 -6.743 1.035 -5.283 332 HB3 ASP 552 1HB ASP 552 -8.268 0.178 -5.487 333 H GLY 553 H GLY 553 -9.014 0.659 -1.239 334 HA2 GLY 553 2HA GLY 553 -10.993 -0.220 -0.447 335 HA3 GLY 553 1HA GLY 553 -11.592 -0.242 -2.099 336 H LEU 554 H LEU 554 -8.878 -1.871 -0.470 337 HA LEU 554 HA LEU 554 -9.816 -4.400 -1.629 338 HB2 LEU 554 2HB LEU 554 -7.148 -3.958 -0.322 339 HB3 LEU 554 1HB LEU 554 -7.607 -5.203 -1.469 340 HG LEU 554 HG LEU 554 -7.086 -2.290 -2.027 341 HD11 LEU 554 1HD1 LEU 554 -5.874 -4.747 -3.268 342 HD12 LEU 554 2HD1 LEU 554 -5.182 -3.919 -1.873 343 HD13 LEU 554 3HD1 LEU 554 -5.331 -3.075 -3.414 344 HD21 LEU 554 3HD2 LEU 554 -7.659 -2.836 -4.386 345 HD22 LEU 554 1HD2 LEU 554 -9.043 -2.851 -3.293 346 HD23 LEU 554 2HD2 LEU 554 -8.321 -4.371 -3.823 347 H ILE 555 H ILE 555 -9.089 -2.782 1.371 348 HA ILE 555 HA ILE 555 -9.855 -5.203 2.853 349 HB ILE 555 HB ILE 555 -8.884 -3.517 4.779 350 HG12 ILE 555 2HG1 ILE 555 -8.113 -1.994 2.885 351 HG13 ILE 555 1HG1 ILE 555 -6.888 -2.463 4.057 352 HG21 ILE 555 1HG2 ILE 555 -7.332 -5.557 3.198 353 HG22 ILE 555 2HG2 ILE 555 -8.424 -5.899 4.538 354 HG23 ILE 555 3HG2 ILE 555 -6.941 -4.987 4.820 355 HD11 ILE 555 3HD1 ILE 555 -6.535 -2.558 1.397 356 HD12 ILE 555 1HD1 ILE 555 -7.117 -4.196 1.690 357 HD13 ILE 555 2HD1 ILE 555 -5.689 -3.604 2.536 358 H CYS 556 H CYS 556 -10.738 -1.965 2.108 359 HA CYS 556 HA CYS 556 -12.788 -1.929 4.205 360 HB2 CYS 556 2HB CYS 556 -11.163 0.080 3.512 361 HB3 CYS 556 1HB CYS 556 -12.426 0.361 2.328 362 H GLY 557 H GLY 557 -12.947 -3.711 1.985 363 HA2 GLY 557 2HA GLY 557 -15.495 -3.798 1.267 364 HA3 GLY 557 1HA GLY 557 -14.884 -2.569 0.170 365 H LEU 558 H LEU 558 -15.852 -5.417 -0.108 366 HA LEU 558 HA LEU 558 -13.518 -6.745 -1.211 367 HB2 LEU 558 2HB LEU 558 -16.123 -8.009 -1.646 368 HB3 LEU 558 1HB LEU 558 -14.647 -8.673 -0.975 369 HG LEU 558 HG LEU 558 -16.520 -6.910 0.600 370 HD11 LEU 558 1HD1 LEU 558 -17.435 -8.911 1.577 371 HD12 LEU 558 2HD1 LEU 558 -16.400 -9.916 0.561 372 HD13 LEU 558 3HD1 LEU 558 -17.672 -8.935 -0.172 373 HD21 LEU 558 3HD2 LEU 558 -13.931 -7.611 1.114 374 HD22 LEU 558 1HD2 LEU 558 -14.828 -8.880 1.949 375 HD23 LEU 558 2HD2 LEU 558 -15.129 -7.185 2.337 376 H ARG 559 H ARG 559 -16.134 -4.810 -2.305 377 HA ARG 559 HA ARG 559 -15.382 -5.412 -5.083 378 HB2 ARG 559 2HB ARG 559 -18.020 -4.616 -5.262 379 HB3 ARG 559 1HB ARG 559 -17.429 -6.267 -5.377 380 HG2 ARG 559 2HG ARG 559 -17.989 -6.750 -3.158 381 HG3 ARG 559 1HG ARG 559 -18.133 -5.042 -2.733 382 HD2 ARG 559 2HD ARG 559 -20.007 -5.073 -4.564 383 HD3 ARG 559 1HD ARG 559 -20.028 -6.801 -4.212 384 HE ARG 559 HE ARG 559 -20.178 -5.154 -1.866 385 HH11 ARG 559 1HH1 ARG 559 -22.018 -6.656 -4.422 386 HH12 ARG 559 2HH1 ARG 559 -23.492 -6.685 -3.514 387 HH21 ARG 559 1HH2 ARG 559 -22.119 -5.189 -0.671 388 HH22 ARG 559 2HH2 ARG 559 -23.551 -5.851 -1.385 389 H GLN 560 H GLN 560 -14.474 -3.286 -3.320 390 HA GLN 560 HA GLN 560 -15.781 -0.848 -3.903 391 HB2 GLN 560 2HB GLN 560 -12.937 -1.442 -3.072 392 HB3 GLN 560 1HB GLN 560 -13.566 0.189 -3.250 393 HG2 GLN 560 2HG GLN 560 -13.844 -1.683 -1.061 394 HG3 GLN 560 1HG GLN 560 -14.091 0.062 -1.093 395 HE21 GLN 560 1HE2 GLN 560 -15.593 -3.052 -1.691 396 HE22 GLN 560 2HE2 GLN 560 -17.226 -2.522 -1.507 Start of MODEL 9 1 H1 ALA 507 1HT ALA 507 -9.103 -12.020 -1.041 2 H2 ALA 507 2HT ALA 507 -8.242 -10.574 -1.381 3 H3 ALA 507 3HT ALA 507 -9.631 -10.984 -2.300 4 HA ALA 507 HA ALA 507 -10.208 -9.307 -0.793 5 HB1 ALA 507 2HB ALA 507 -11.863 -10.645 0.645 6 HB2 ALA 507 3HB ALA 507 -11.223 -12.062 -0.187 7 HB3 ALA 507 1HB ALA 507 -11.993 -10.771 -1.109 8 H GLN 508 H GLN 508 -10.672 -8.798 1.536 9 HA GLN 508 HA GLN 508 -9.354 -10.040 3.662 10 HB2 GLN 508 2HB GLN 508 -7.584 -8.168 3.972 11 HB3 GLN 508 1HB GLN 508 -7.236 -9.499 2.877 12 HG2 GLN 508 2HG GLN 508 -8.204 -7.921 1.059 13 HG3 GLN 508 1HG GLN 508 -7.898 -6.656 2.247 14 HE21 GLN 508 1HE2 GLN 508 -5.576 -7.675 3.396 15 HE22 GLN 508 2HE2 GLN 508 -4.303 -7.605 2.229 16 HA PRO 509 HA PRO 509 -12.022 -6.872 5.384 17 HB2 PRO 509 2HB PRO 509 -12.685 -8.107 7.593 18 HB3 PRO 509 1HB PRO 509 -13.089 -8.874 6.046 19 HG2 PRO 509 2HG PRO 509 -10.776 -9.414 7.872 20 HG3 PRO 509 1HG PRO 509 -11.874 -10.580 7.107 21 HD2 PRO 509 2HD PRO 509 -9.387 -9.851 6.109 22 HD3 PRO 509 1HD PRO 509 -10.700 -10.541 5.134 23 H LYS 510 H LYS 510 -11.331 -5.076 6.295 24 HA LYS 510 HA LYS 510 -10.214 -4.847 8.841 25 HB2 LYS 510 2HB LYS 510 -8.330 -4.955 6.565 26 HB3 LYS 510 1HB LYS 510 -8.053 -3.674 7.738 27 HG2 LYS 510 2HG LYS 510 -7.367 -5.098 9.325 28 HG3 LYS 510 1HG LYS 510 -8.549 -6.325 8.873 29 HD2 LYS 510 2HD LYS 510 -6.510 -5.918 6.835 30 HD3 LYS 510 1HD LYS 510 -5.833 -6.424 8.383 31 HE2 LYS 510 2HE LYS 510 -7.560 -8.267 8.392 32 HE3 LYS 510 1HE LYS 510 -7.908 -7.831 6.719 33 HZ1 LYS 510 3HZ LYS 510 -5.449 -8.999 7.849 34 HZ2 LYS 510 1HZ LYS 510 -5.394 -8.135 6.395 35 HZ3 LYS 510 2HZ LYS 510 -6.360 -9.518 6.522 36 H CYS 511 H CYS 511 -10.500 -3.427 5.673 37 HA CYS 511 HA CYS 511 -11.365 -1.483 4.934 38 HB2 CYS 511 2HB CYS 511 -12.507 -1.697 7.599 39 HB3 CYS 511 1HB CYS 511 -12.287 -0.024 7.101 40 H ASN 512 H ASN 512 -8.704 -1.660 5.363 41 HA ASN 512 HA ASN 512 -8.066 1.110 6.068 42 HB2 ASN 512 2HB ASN 512 -7.292 -0.809 7.726 43 HB3 ASN 512 1HB ASN 512 -6.001 -0.993 6.541 44 HD21 ASN 512 1HD2 ASN 512 -5.805 1.745 5.802 45 HD22 ASN 512 2HD2 ASN 512 -5.116 2.595 7.133 46 HA PRO 513 HA PRO 513 -6.229 -0.433 1.977 47 HB2 PRO 513 2HB PRO 513 -8.102 0.064 0.160 48 HB3 PRO 513 1HB PRO 513 -8.183 -1.392 1.156 49 HG2 PRO 513 2HG PRO 513 -9.630 1.216 1.523 50 HG3 PRO 513 1HG PRO 513 -10.282 -0.430 1.573 51 HD2 PRO 513 2HD PRO 513 -9.606 0.972 3.810 52 HD3 PRO 513 1HD PRO 513 -9.537 -0.800 3.709 53 H ASN 514 H ASN 514 -8.296 1.875 0.479 54 HA ASN 514 HA ASN 514 -6.091 3.681 0.178 55 HB2 ASN 514 2HB ASN 514 -7.389 4.768 -1.482 56 HB3 ASN 514 1HB ASN 514 -7.711 3.045 -1.651 57 HD21 ASN 514 1HD2 ASN 514 -9.739 2.747 -2.197 58 HD22 ASN 514 2HD2 ASN 514 -11.108 3.573 -1.546 59 H LEU 515 H LEU 515 -7.996 3.332 2.723 60 HA LEU 515 HA LEU 515 -8.531 6.185 3.107 61 HB2 LEU 515 2HB LEU 515 -9.407 3.787 4.720 62 HB3 LEU 515 1HB LEU 515 -9.832 5.452 5.079 63 HG LEU 515 HG LEU 515 -11.718 4.562 3.988 64 HD11 LEU 515 1HD1 LEU 515 -10.087 5.995 1.891 65 HD12 LEU 515 2HD1 LEU 515 -11.071 6.758 3.141 66 HD13 LEU 515 3HD1 LEU 515 -11.841 5.794 1.879 67 HD21 LEU 515 3HD2 LEU 515 -10.342 3.665 1.537 68 HD22 LEU 515 1HD2 LEU 515 -11.719 2.963 2.389 69 HD23 LEU 515 2HD2 LEU 515 -10.079 2.681 2.976 70 H HIS 516 H HIS 516 -5.916 5.575 3.047 71 HA HIS 516 HA HIS 516 -4.823 6.738 5.268 72 HB2 HIS 516 2HB HIS 516 -5.492 3.983 5.786 73 HB3 HIS 516 1HB HIS 516 -3.746 4.194 5.858 74 HD1 HIS 516 1HD HIS 516 -6.210 3.924 8.157 75 HD2 HIS 516 2HD HIS 516 -3.525 7.008 7.415 76 HE1 HIS 516 1HE HIS 516 -6.077 5.231 10.301 77 HE2 HIS 516 2HE HIS 516 -4.376 7.036 9.858 78 H TYR 517 H TYR 517 -4.473 4.329 2.771 79 HA TYR 517 HA TYR 517 -1.845 3.960 2.375 80 HB2 TYR 517 2HB TYR 517 -2.292 3.557 0.096 81 HB3 TYR 517 1HB TYR 517 -3.821 3.247 0.903 82 HD1 TYR 517 2HD TYR 517 -5.257 5.587 1.144 83 HD2 TYR 517 1HD TYR 517 -2.486 4.629 -1.936 84 HE1 TYR 517 2HE TYR 517 -6.390 7.173 -0.356 85 HE2 TYR 517 1HE TYR 517 -3.606 6.214 -3.444 86 HH TYR 517 HH TYR 517 -5.571 8.571 -2.507 87 H TRP 518 H TRP 518 -3.573 6.933 1.611 88 HA TRP 518 HA TRP 518 -1.429 8.289 0.350 89 HB2 TRP 518 2HB TRP 518 -2.840 10.347 1.005 90 HB3 TRP 518 1HB TRP 518 -3.587 9.159 -0.062 91 HD1 TRP 518 HD TRP 518 -3.374 8.362 3.649 92 HE1 TRP 518 1HE TRP 518 -5.733 8.403 4.656 93 HE3 TRP 518 3HE TRP 518 -5.914 10.284 -0.342 94 HZ2 TRP 518 2HZ TRP 518 -8.342 9.160 3.865 95 HZ3 TRP 518 3HZ TRP 518 -8.341 10.638 -0.138 96 HH2 TRP 518 HH TRP 518 -9.529 10.086 1.924 97 H THR 519 H THR 519 0.315 7.753 1.840 98 HA THR 519 HA THR 519 0.799 9.866 3.706 99 HB THR 519 HB THR 519 -0.549 8.602 5.183 100 HG1 THR 519 1HG THR 519 1.494 9.241 6.055 101 HG21 THR 519 3HG2 THR 519 0.982 6.098 5.041 102 HG22 THR 519 1HG2 THR 519 -0.119 6.432 3.704 103 HG23 THR 519 2HG2 THR 519 -0.732 6.375 5.358 104 H THR 520 H THR 520 1.726 6.506 3.073 105 HA THR 520 HA THR 520 4.500 7.408 2.718 106 HB THR 520 HB THR 520 4.150 6.059 4.804 107 HG1 THR 520 1HG THR 520 6.136 6.059 3.510 108 HG21 THR 520 3HG2 THR 520 4.161 3.462 3.866 109 HG22 THR 520 1HG2 THR 520 2.858 4.240 2.967 110 HG23 THR 520 2HG2 THR 520 2.851 4.268 4.730 111 H GLN 521 H GLN 521 1.785 6.113 1.294 112 HA GLN 521 HA GLN 521 3.260 4.536 -0.638 113 HB2 GLN 521 2HB GLN 521 1.320 3.425 -1.106 114 HB3 GLN 521 1HB GLN 521 0.919 3.979 0.513 115 HG2 GLN 521 2HG GLN 521 -0.973 4.484 -0.701 116 HG3 GLN 521 1HG GLN 521 -0.110 6.017 -0.666 117 HE21 GLN 521 1HE2 GLN 521 -0.569 6.984 -2.505 118 HE22 GLN 521 2HE2 GLN 521 -0.419 6.293 -4.079 119 H ASP 522 H ASP 522 1.322 7.397 -0.359 120 HA ASP 522 HA ASP 522 1.623 8.065 -3.168 121 HB2 ASP 522 2HB ASP 522 -0.353 8.583 -1.347 122 HB3 ASP 522 1HB ASP 522 0.517 10.112 -1.376 123 H GLU 523 H GLU 523 3.602 8.158 -0.687 124 HA GLU 523 HA GLU 523 5.045 10.512 -1.656 125 HB2 GLU 523 2HB GLU 523 5.161 9.901 1.257 126 HB3 GLU 523 1HB GLU 523 5.328 11.445 0.429 127 HG2 GLU 523 2HG GLU 523 2.796 11.052 -0.126 128 HG3 GLU 523 1HG GLU 523 2.871 10.008 1.294 129 H GLY 524 H GLY 524 4.955 7.342 -0.342 130 HA2 GLY 524 2HA GLY 524 7.876 7.101 -0.640 131 HA3 GLY 524 1HA GLY 524 6.923 6.146 0.490 132 H ALA 525 H ALA 525 4.742 5.853 -1.507 133 HA ALA 525 HA ALA 525 5.996 3.733 -3.106 134 HB1 ALA 525 1HB ALA 525 4.196 3.119 -1.460 135 HB2 ALA 525 2HB ALA 525 3.896 2.608 -3.121 136 HB3 ALA 525 3HB ALA 525 3.065 4.021 -2.467 137 H ALA 526 H ALA 526 5.864 6.612 -3.740 138 HA ALA 526 HA ALA 526 4.717 6.342 -6.416 139 HB1 ALA 526 1HB ALA 526 3.973 8.460 -4.429 140 HB2 ALA 526 2HB ALA 526 2.912 7.364 -5.318 141 HB3 ALA 526 3HB ALA 526 3.744 8.667 -6.166 142 H ILE 527 H ILE 527 7.287 7.289 -4.523 143 HA ILE 527 HA ILE 527 8.382 8.892 -6.723 144 HB ILE 527 HB ILE 527 9.601 9.830 -4.357 145 HG12 ILE 527 2HG1 ILE 527 7.390 8.866 -3.358 146 HG13 ILE 527 1HG1 ILE 527 7.916 10.478 -2.887 147 HG21 ILE 527 1HG2 ILE 527 9.333 11.088 -6.412 148 HG22 ILE 527 2HG2 ILE 527 8.652 11.978 -5.051 149 HG23 ILE 527 3HG2 ILE 527 7.586 11.138 -6.177 150 HD11 ILE 527 3HD1 ILE 527 5.436 10.035 -3.507 151 HD12 ILE 527 1HD1 ILE 527 6.022 10.151 -5.167 152 HD13 ILE 527 2HD1 ILE 527 6.230 11.509 -4.061 153 H GLY 528 H GLY 528 9.305 7.352 -3.632 154 HA2 GLY 528 2HA GLY 528 11.982 6.852 -4.516 155 HA3 GLY 528 1HA GLY 528 11.237 6.229 -3.052 156 H LEU 529 H LEU 529 9.853 4.339 -3.246 157 HA LEU 529 HA LEU 529 10.299 2.770 -5.684 158 HB2 LEU 529 2HB LEU 529 11.017 1.993 -2.890 159 HB3 LEU 529 1HB LEU 529 10.585 0.763 -4.057 160 HG LEU 529 HG LEU 529 12.425 1.658 -5.531 161 HD11 LEU 529 1HD1 LEU 529 12.568 3.572 -3.354 162 HD12 LEU 529 2HD1 LEU 529 13.259 3.645 -4.974 163 HD13 LEU 529 3HD1 LEU 529 14.124 2.810 -3.684 164 HD21 LEU 529 3HD2 LEU 529 12.970 -0.335 -4.493 165 HD22 LEU 529 1HD2 LEU 529 12.882 0.364 -2.875 166 HD23 LEU 529 2HD2 LEU 529 14.251 0.735 -3.923 167 H ALA 530 H ALA 530 8.991 0.653 -5.501 168 HA ALA 530 HA ALA 530 6.894 -0.146 -4.184 169 HB1 ALA 530 1HB ALA 530 6.158 2.537 -5.274 170 HB2 ALA 530 2HB ALA 530 5.765 1.814 -3.715 171 HB3 ALA 530 3HB ALA 530 4.929 1.278 -5.171 172 H TRP 531 H TRP 531 8.097 0.905 -7.170 173 HA TRP 531 HA TRP 531 6.289 -0.655 -8.824 174 HB2 TRP 531 2HB TRP 531 8.259 0.232 -10.503 175 HB3 TRP 531 1HB TRP 531 6.820 1.163 -10.096 176 HD1 TRP 531 HD TRP 531 10.461 0.769 -8.859 177 HE1 TRP 531 1HE TRP 531 11.208 3.005 -7.850 178 HE3 TRP 531 3HE TRP 531 6.087 3.369 -9.333 179 HZ2 TRP 531 2HZ TRP 531 10.098 5.559 -7.340 180 HZ3 TRP 531 3HZ TRP 531 6.011 5.703 -8.558 181 HH2 TRP 531 HH TRP 531 7.973 6.776 -7.577 182 H ILE 532 H ILE 532 8.577 -1.594 -6.830 183 HA ILE 532 HA ILE 532 9.491 -3.736 -8.605 184 HB ILE 532 HB ILE 532 11.764 -3.632 -7.822 185 HG12 ILE 532 2HG1 ILE 532 11.332 -2.821 -5.524 186 HG13 ILE 532 1HG1 ILE 532 12.577 -1.878 -6.330 187 HG21 ILE 532 1HG2 ILE 532 11.535 -0.776 -8.370 188 HG22 ILE 532 2HG2 ILE 532 10.610 -1.783 -9.488 189 HG23 ILE 532 3HG2 ILE 532 12.342 -2.049 -9.289 190 HD11 ILE 532 3HD1 ILE 532 10.307 -0.487 -6.939 191 HD12 ILE 532 1HD1 ILE 532 11.434 -0.107 -5.641 192 HD13 ILE 532 2HD1 ILE 532 9.988 -1.055 -5.300 193 HA PRO 533 HA PRO 533 8.131 -5.831 -4.848 194 HB2 PRO 533 2HB PRO 533 7.446 -8.144 -5.976 195 HB3 PRO 533 1HB PRO 533 6.477 -6.689 -6.238 196 HG2 PRO 533 2HG PRO 533 8.473 -7.987 -8.042 197 HG3 PRO 533 1HG PRO 533 6.918 -7.239 -8.445 198 HD2 PRO 533 2HD PRO 533 9.406 -6.018 -8.698 199 HD3 PRO 533 1HD PRO 533 7.850 -5.170 -8.635 200 H TYR 534 H TYR 534 9.987 -6.187 -3.636 201 HA TYR 534 HA TYR 534 11.202 -8.743 -3.866 202 HB2 TYR 534 2HB TYR 534 13.356 -8.258 -4.577 203 HB3 TYR 534 1HB TYR 534 12.351 -7.304 -5.656 204 HD1 TYR 534 1HD TYR 534 14.618 -7.152 -2.751 205 HD2 TYR 534 2HD TYR 534 12.505 -4.916 -5.691 206 HE1 TYR 534 1HE TYR 534 15.909 -5.149 -2.149 207 HE2 TYR 534 2HE TYR 534 13.791 -2.908 -5.097 208 HH TYR 534 HH TYR 534 15.968 -2.359 -4.050 209 H PHE 535 H PHE 535 11.847 -5.472 -2.570 210 HA PHE 535 HA PHE 535 13.175 -6.343 -0.260 211 HB2 PHE 535 2HB PHE 535 12.319 -4.077 0.682 212 HB3 PHE 535 1HB PHE 535 13.435 -4.067 -0.678 213 HD1 PHE 535 1HD PHE 535 9.802 -3.956 0.112 214 HD2 PHE 535 2HD PHE 535 12.910 -2.885 -2.586 215 HE1 PHE 535 1HE PHE 535 8.206 -2.605 -1.185 216 HE2 PHE 535 2HE PHE 535 11.325 -1.537 -3.893 217 HZ PHE 535 HZ PHE 535 8.967 -1.391 -3.188 218 H GLY 536 H GLY 536 9.881 -6.500 -1.138 219 HA2 GLY 536 2HA GLY 536 7.942 -6.930 0.060 220 HA3 GLY 536 1HA GLY 536 8.964 -8.171 0.757 221 HA PRO 537 HA PRO 537 7.772 -5.990 4.516 222 HB2 PRO 537 2HB PRO 537 8.673 -7.835 6.259 223 HB3 PRO 537 1HB PRO 537 7.188 -8.066 5.329 224 HG2 PRO 537 2HG PRO 537 9.930 -9.157 4.821 225 HG3 PRO 537 1HG PRO 537 8.363 -9.980 4.719 226 HD2 PRO 537 2HD PRO 537 9.686 -9.028 2.539 227 HD3 PRO 537 1HD PRO 537 7.917 -9.142 2.628 228 H ALA 538 H ALA 538 10.826 -6.513 3.254 229 HA ALA 538 HA ALA 538 12.485 -5.903 5.457 230 HB1 ALA 538 1HB ALA 538 14.240 -5.828 3.950 231 HB2 ALA 538 2HB ALA 538 13.233 -5.192 2.650 232 HB3 ALA 538 3HB ALA 538 13.089 -6.883 3.130 233 H ALA 539 H ALA 539 10.506 -3.978 3.386 234 HA ALA 539 HA ALA 539 11.797 -1.503 4.263 235 HB1 ALA 539 1HB ALA 539 9.860 -0.648 2.638 236 HB2 ALA 539 2HB ALA 539 10.072 -2.277 2.000 237 HB3 ALA 539 3HB ALA 539 11.442 -1.165 2.055 238 H GLU 540 H GLU 540 9.080 -3.497 4.820 239 HA GLU 540 HA GLU 540 7.008 -1.958 5.580 240 HB2 GLU 540 2HB GLU 540 8.065 -4.535 6.363 241 HB3 GLU 540 1HB GLU 540 7.143 -3.782 7.657 242 HG2 GLU 540 2HG GLU 540 6.080 -4.015 4.863 243 HG3 GLU 540 1HG GLU 540 5.899 -5.307 6.049 244 H GLY 541 H GLY 541 7.123 -0.029 6.560 245 HA2 GLY 541 2HA GLY 541 6.941 1.007 8.726 246 HA3 GLY 541 1HA GLY 541 8.294 0.028 9.257 247 H ILE 542 H ILE 542 9.371 0.894 6.375 248 HA ILE 542 HA ILE 542 10.668 3.286 7.470 249 HB ILE 542 HB ILE 542 11.546 1.776 5.022 250 HG12 ILE 542 2HG1 ILE 542 13.090 1.287 7.449 251 HG13 ILE 542 1HG1 ILE 542 11.436 0.689 7.571 252 HG21 ILE 542 1HG2 ILE 542 13.767 2.766 5.771 253 HG22 ILE 542 2HG2 ILE 542 12.819 3.784 6.855 254 HG23 ILE 542 3HG2 ILE 542 12.575 3.884 5.111 255 HD11 ILE 542 3HD1 ILE 542 12.721 0.033 5.048 256 HD12 ILE 542 1HD1 ILE 542 11.823 -0.986 6.173 257 HD13 ILE 542 2HD1 ILE 542 13.531 -0.648 6.461 258 H TYR 543 H TYR 543 8.782 2.144 4.738 259 HA TYR 543 HA TYR 543 7.646 4.584 4.149 260 HB2 TYR 543 2HB TYR 543 9.017 4.905 1.864 261 HB3 TYR 543 1HB TYR 543 9.441 5.732 3.357 262 HD1 TYR 543 1HD TYR 543 10.082 2.138 2.746 263 HD2 TYR 543 2HD TYR 543 11.748 6.053 2.864 264 HE1 TYR 543 1HE TYR 543 12.342 1.175 2.632 265 HE2 TYR 543 2HE TYR 543 14.010 5.099 2.751 266 HH TYR 543 HH TYR 543 14.628 1.770 3.189 267 H ILE 544 H ILE 544 9.016 3.054 1.342 268 HA ILE 544 HA ILE 544 6.633 2.537 0.083 269 HB ILE 544 HB ILE 544 9.075 0.816 -0.297 270 HG12 ILE 544 2HG1 ILE 544 9.201 2.901 -2.137 271 HG13 ILE 544 1HG1 ILE 544 8.760 3.691 -0.627 272 HG21 ILE 544 1HG2 ILE 544 6.978 1.780 -2.231 273 HG22 ILE 544 2HG2 ILE 544 7.040 0.173 -1.512 274 HG23 ILE 544 3HG2 ILE 544 8.324 0.702 -2.599 275 HD11 ILE 544 3HD1 ILE 544 10.759 3.288 0.324 276 HD12 ILE 544 1HD1 ILE 544 11.281 3.228 -1.359 277 HD13 ILE 544 2HD1 ILE 544 10.957 1.732 -0.483 278 H GLU 545 H GLU 545 8.673 -0.102 1.314 279 HA GLU 545 HA GLU 545 8.180 -2.069 2.339 280 HB2 GLU 545 2HB GLU 545 5.375 -1.185 2.882 281 HB3 GLU 545 1HB GLU 545 6.444 -2.173 3.866 282 HG2 GLU 545 2HG GLU 545 7.513 -0.362 4.778 283 HG3 GLU 545 1HG GLU 545 7.177 0.674 3.399 284 H GLY 546 H GLY 546 6.674 -3.988 2.217 285 HA2 GLY 546 2HA GLY 546 6.130 -4.542 -0.523 286 HA3 GLY 546 1HA GLY 546 5.769 -5.594 0.839 287 H LEU 547 H LEU 547 4.644 -2.569 -0.645 288 HA LEU 547 HA LEU 547 1.883 -3.523 -0.390 289 HB2 LEU 547 2HB LEU 547 1.206 -1.236 0.353 290 HB3 LEU 547 1HB LEU 547 2.152 -2.129 1.533 291 HG LEU 547 HG LEU 547 4.176 -0.861 0.602 292 HD11 LEU 547 1HD1 LEU 547 3.409 1.455 -0.232 293 HD12 LEU 547 2HD1 LEU 547 1.913 0.625 -0.669 294 HD13 LEU 547 3HD1 LEU 547 3.445 0.107 -1.371 295 HD21 LEU 547 3HD2 LEU 547 2.220 -0.197 2.570 296 HD22 LEU 547 1HD2 LEU 547 2.832 1.289 1.842 297 HD23 LEU 547 2HD2 LEU 547 3.951 0.137 2.569 298 H MET 548 H MET 548 3.494 -3.481 -2.698 299 HA MET 548 HA MET 548 3.136 -1.139 -4.241 300 HB2 MET 548 2HB MET 548 3.371 -3.850 -5.469 301 HB3 MET 548 1HB MET 548 4.013 -2.318 -6.033 302 HG2 MET 548 2HG MET 548 5.960 -2.794 -5.102 303 HG3 MET 548 1HG MET 548 5.189 -2.839 -3.518 304 HE1 MET 548 3HE MET 548 5.088 -4.441 -2.146 305 HE2 MET 548 1HE MET 548 5.712 -6.083 -2.297 306 HE3 MET 548 2HE MET 548 4.026 -5.742 -2.687 307 H HIS 549 H HIS 549 0.674 -1.880 -3.030 308 HA HIS 549 HA HIS 549 -0.954 -2.487 -5.406 309 HB2 HIS 549 2HB HIS 549 -2.015 -2.734 -2.609 310 HB3 HIS 549 1HB HIS 549 -2.547 -3.552 -4.073 311 HD1 HIS 549 1HD HIS 549 -1.030 -4.359 -1.045 312 HD2 HIS 549 2HD HIS 549 -0.127 -5.291 -4.993 313 HE1 HIS 549 1HE HIS 549 0.414 -6.413 -0.937 314 HE2 HIS 549 2HE HIS 549 0.874 -7.011 -3.341 315 H ASN 550 H ASN 550 -0.023 -0.186 -3.131 316 HA ASN 550 HA ASN 550 -0.601 1.976 -2.760 317 HB2 ASN 550 2HB ASN 550 -2.407 1.676 -5.164 318 HB3 ASN 550 1HB ASN 550 -1.815 3.186 -4.474 319 HD21 ASN 550 1HD2 ASN 550 0.828 2.386 -3.963 320 HD22 ASN 550 2HD2 ASN 550 1.634 2.174 -5.475 321 H GLN 551 H GLN 551 -3.241 -0.300 -3.146 322 HA GLN 551 HA GLN 551 -5.042 -0.663 -1.820 323 HB2 GLN 551 2HB GLN 551 -4.439 1.876 -0.328 324 HB3 GLN 551 1HB GLN 551 -5.398 0.502 0.198 325 HG2 GLN 551 2HG GLN 551 -3.327 -0.880 0.093 326 HG3 GLN 551 1HG GLN 551 -2.425 0.612 -0.166 327 HE21 GLN 551 1HE2 GLN 551 -3.320 -1.550 2.104 328 HE22 GLN 551 2HE2 GLN 551 -3.242 -0.556 3.516 329 H ASP 552 H ASP 552 -6.945 -0.439 -2.594 330 HA ASP 552 HA ASP 552 -8.090 2.176 -3.140 331 HB2 ASP 552 2HB ASP 552 -8.766 1.521 -5.436 332 HB3 ASP 552 1HB ASP 552 -7.021 1.670 -5.251 333 H GLY 553 H GLY 553 -9.030 0.886 -1.116 334 HA2 GLY 553 2HA GLY 553 -10.942 0.031 -0.193 335 HA3 GLY 553 1HA GLY 553 -11.708 0.308 -1.745 336 H LEU 554 H LEU 554 -8.918 -1.752 -1.520 337 HA LEU 554 HA LEU 554 -10.426 -3.980 -2.541 338 HB2 LEU 554 2HB LEU 554 -7.579 -4.056 -1.578 339 HB3 LEU 554 1HB LEU 554 -8.347 -5.097 -2.761 340 HG LEU 554 HG LEU 554 -7.596 -2.198 -3.122 341 HD11 LEU 554 1HD1 LEU 554 -6.679 -4.268 -4.992 342 HD12 LEU 554 2HD1 LEU 554 -6.020 -4.383 -3.361 343 HD13 LEU 554 3HD1 LEU 554 -5.813 -2.900 -4.294 344 HD21 LEU 554 3HD2 LEU 554 -8.352 -2.809 -5.545 345 HD22 LEU 554 1HD2 LEU 554 -9.539 -2.287 -4.351 346 HD23 LEU 554 2HD2 LEU 554 -9.354 -4.003 -4.720 347 H ILE 555 H ILE 555 -9.342 -2.886 0.538 348 HA ILE 555 HA ILE 555 -9.845 -5.491 1.778 349 HB ILE 555 HB ILE 555 -8.793 -3.010 3.125 350 HG12 ILE 555 2HG1 ILE 555 -6.759 -4.985 2.613 351 HG13 ILE 555 1HG1 ILE 555 -7.507 -4.497 1.095 352 HG21 ILE 555 1HG2 ILE 555 -8.475 -5.909 3.856 353 HG22 ILE 555 2HG2 ILE 555 -9.698 -4.838 4.536 354 HG23 ILE 555 3HG2 ILE 555 -7.986 -4.507 4.804 355 HD11 ILE 555 3HD1 ILE 555 -6.493 -2.522 1.123 356 HD12 ILE 555 1HD1 ILE 555 -5.475 -3.194 2.397 357 HD13 ILE 555 2HD1 ILE 555 -6.899 -2.241 2.816 358 H CYS 556 H CYS 556 -10.809 -2.099 1.978 359 HA CYS 556 HA CYS 556 -12.768 -2.498 3.999 360 HB2 CYS 556 2HB CYS 556 -11.524 -0.324 3.306 361 HB3 CYS 556 1HB CYS 556 -12.774 -0.182 2.082 362 H GLY 557 H GLY 557 -13.125 -1.636 0.551 363 HA2 GLY 557 2HA GLY 557 -15.908 -2.508 0.653 364 HA3 GLY 557 1HA GLY 557 -15.136 -1.644 -0.665 365 H LEU 558 H LEU 558 -12.855 -3.560 -0.643 366 HA LEU 558 HA LEU 558 -12.212 -5.502 -1.648 367 HB2 LEU 558 2HB LEU 558 -15.004 -6.517 -1.206 368 HB3 LEU 558 1HB LEU 558 -13.531 -7.454 -1.371 369 HG LEU 558 HG LEU 558 -12.943 -5.985 0.836 370 HD11 LEU 558 1HD1 LEU 558 -15.865 -6.023 0.539 371 HD12 LEU 558 2HD1 LEU 558 -14.828 -4.945 1.471 372 HD13 LEU 558 3HD1 LEU 558 -15.260 -6.528 2.117 373 HD21 LEU 558 3HD2 LEU 558 -14.287 -8.661 0.567 374 HD22 LEU 558 1HD2 LEU 558 -13.694 -8.042 2.109 375 HD23 LEU 558 2HD2 LEU 558 -12.571 -8.313 0.778 376 H ARG 559 H ARG 559 -13.926 -3.306 -2.984 377 HA ARG 559 HA ARG 559 -13.868 -4.413 -5.600 378 HB2 ARG 559 2HB ARG 559 -16.495 -3.906 -5.767 379 HB3 ARG 559 1HB ARG 559 -15.851 -5.499 -5.388 380 HG2 ARG 559 2HG ARG 559 -16.290 -5.247 -3.087 381 HG3 ARG 559 1HG ARG 559 -16.562 -3.512 -3.252 382 HD2 ARG 559 2HD ARG 559 -18.297 -5.347 -4.815 383 HD3 ARG 559 1HD ARG 559 -18.564 -5.245 -3.076 384 HE ARG 559 HE ARG 559 -19.257 -3.293 -5.028 385 HH11 ARG 559 1HH1 ARG 559 -18.212 -3.673 -1.721 386 HH12 ARG 559 2HH1 ARG 559 -18.920 -2.184 -1.194 387 HH21 ARG 559 1HH2 ARG 559 -20.190 -1.334 -4.338 388 HH22 ARG 559 2HH2 ARG 559 -20.045 -0.856 -2.680 389 H GLN 560 H GLN 560 -13.294 -1.913 -3.857 390 HA GLN 560 HA GLN 560 -14.782 0.156 -5.207 391 HB2 GLN 560 2HB GLN 560 -12.320 0.586 -3.533 392 HB3 GLN 560 1HB GLN 560 -13.649 1.699 -3.823 393 HG2 GLN 560 2HG GLN 560 -13.584 -0.717 -2.051 394 HG3 GLN 560 1HG GLN 560 -13.929 0.958 -1.621 395 HE21 GLN 560 1HE2 GLN 560 -15.196 -2.014 -2.764 396 HE22 GLN 560 2HE2 GLN 560 -16.852 -1.541 -2.851 Start of MODEL 10 1 H1 ALA 507 1HT ALA 507 -10.481 -11.736 -0.423 2 H2 ALA 507 2HT ALA 507 -10.045 -10.280 -1.220 3 H3 ALA 507 3HT ALA 507 -11.389 -11.194 -1.771 4 HA ALA 507 HA ALA 507 -11.834 -9.143 -0.432 5 HB1 ALA 507 2HB ALA 507 -13.813 -10.076 0.405 6 HB2 ALA 507 3HB ALA 507 -13.065 -11.653 0.661 7 HB3 ALA 507 1HB ALA 507 -13.393 -11.087 -0.977 8 H GLN 508 H GLN 508 -11.746 -8.155 1.535 9 HA GLN 508 HA GLN 508 -10.946 -9.556 3.910 10 HB2 GLN 508 2HB GLN 508 -8.937 -7.969 4.218 11 HB3 GLN 508 1HB GLN 508 -8.743 -9.374 3.182 12 HG2 GLN 508 2HG GLN 508 -9.500 -7.607 1.333 13 HG3 GLN 508 1HG GLN 508 -8.780 -6.499 2.498 14 HE21 GLN 508 1HE2 GLN 508 -6.618 -7.470 3.404 15 HE22 GLN 508 2HE2 GLN 508 -5.511 -7.993 2.185 16 HA PRO 509 HA PRO 509 -13.214 -5.930 5.278 17 HB2 PRO 509 2HB PRO 509 -14.247 -6.950 7.449 18 HB3 PRO 509 1HB PRO 509 -14.632 -7.720 5.898 19 HG2 PRO 509 2HG PRO 509 -12.582 -8.508 7.936 20 HG3 PRO 509 1HG PRO 509 -13.786 -9.536 7.132 21 HD2 PRO 509 2HD PRO 509 -11.149 -9.246 6.316 22 HD3 PRO 509 1HD PRO 509 -12.473 -9.773 5.259 23 H LYS 510 H LYS 510 -11.990 -4.297 5.965 24 HA LYS 510 HA LYS 510 -11.114 -4.173 8.686 25 HB2 LYS 510 2HB LYS 510 -9.130 -4.454 6.489 26 HB3 LYS 510 1HB LYS 510 -8.744 -3.394 7.833 27 HG2 LYS 510 2HG LYS 510 -9.422 -6.319 8.026 28 HG3 LYS 510 1HG LYS 510 -7.811 -5.615 8.148 29 HD2 LYS 510 2HD LYS 510 -10.122 -5.118 10.027 30 HD3 LYS 510 1HD LYS 510 -8.699 -6.107 10.360 31 HE2 LYS 510 2HE LYS 510 -7.403 -3.913 9.778 32 HE3 LYS 510 1HE LYS 510 -8.943 -3.139 10.147 33 HZ1 LYS 510 3HZ LYS 510 -8.056 -5.083 12.098 34 HZ2 LYS 510 1HZ LYS 510 -8.715 -3.541 12.326 35 HZ3 LYS 510 2HZ LYS 510 -7.071 -3.714 11.969 36 H CYS 511 H CYS 511 -11.022 -2.703 5.528 37 HA CYS 511 HA CYS 511 -11.543 -0.631 4.810 38 HB2 CYS 511 2HB CYS 511 -12.623 -0.519 7.552 39 HB3 CYS 511 1HB CYS 511 -12.312 1.024 6.766 40 H ASN 512 H ASN 512 -9.009 -1.235 5.132 41 HA ASN 512 HA ASN 512 -7.891 1.354 5.939 42 HB2 ASN 512 2HB ASN 512 -7.277 -0.318 7.633 43 HB3 ASN 512 1HB ASN 512 -6.576 -1.333 6.381 44 HD21 ASN 512 1HD2 ASN 512 -6.142 2.044 5.947 45 HD22 ASN 512 2HD2 ASN 512 -4.501 2.122 6.476 46 HA PRO 513 HA PRO 513 -6.354 -0.235 1.724 47 HB2 PRO 513 2HB PRO 513 -8.272 0.195 -0.049 48 HB3 PRO 513 1HB PRO 513 -8.349 -1.214 1.014 49 HG2 PRO 513 2HG PRO 513 -9.749 1.429 1.299 50 HG3 PRO 513 1HG PRO 513 -10.422 -0.204 1.442 51 HD2 PRO 513 2HD PRO 513 -9.642 1.309 3.590 52 HD3 PRO 513 1HD PRO 513 -9.660 -0.464 3.577 53 H ASN 514 H ASN 514 -8.428 1.979 0.161 54 HA ASN 514 HA ASN 514 -6.290 3.779 -0.327 55 HB2 ASN 514 2HB ASN 514 -7.664 4.744 -1.934 56 HB3 ASN 514 1HB ASN 514 -8.256 3.088 -1.865 57 HD21 ASN 514 1HD2 ASN 514 -10.327 2.722 -1.337 58 HD22 ASN 514 2HD2 ASN 514 -11.462 3.948 -0.901 59 H LEU 515 H LEU 515 -8.229 3.509 2.318 60 HA LEU 515 HA LEU 515 -8.444 6.388 2.769 61 HB2 LEU 515 2HB LEU 515 -9.477 4.108 4.456 62 HB3 LEU 515 1HB LEU 515 -9.850 5.810 4.664 63 HG LEU 515 HG LEU 515 -11.746 4.910 3.613 64 HD11 LEU 515 1HD1 LEU 515 -11.124 6.966 2.559 65 HD12 LEU 515 2HD1 LEU 515 -11.698 5.862 1.309 66 HD13 LEU 515 3HD1 LEU 515 -9.967 6.141 1.512 67 HD21 LEU 515 3HD2 LEU 515 -10.514 3.732 1.247 68 HD22 LEU 515 1HD2 LEU 515 -11.763 3.088 2.313 69 HD23 LEU 515 2HD2 LEU 515 -10.061 2.921 2.745 70 H HIS 516 H HIS 516 -5.885 5.460 2.668 71 HA HIS 516 HA HIS 516 -4.697 6.477 4.933 72 HB2 HIS 516 2HB HIS 516 -5.700 3.917 5.485 73 HB3 HIS 516 1HB HIS 516 -3.968 3.693 5.263 74 HD1 HIS 516 1HD HIS 516 -5.393 3.378 8.023 75 HD2 HIS 516 2HD HIS 516 -3.433 6.803 6.720 76 HE1 HIS 516 1HE HIS 516 -4.755 4.624 10.113 77 HE2 HIS 516 2HE HIS 516 -3.660 6.740 9.296 78 H TYR 517 H TYR 517 -4.523 4.208 2.284 79 HA TYR 517 HA TYR 517 -1.895 3.677 1.942 80 HB2 TYR 517 2HB TYR 517 -2.314 3.368 -0.358 81 HB3 TYR 517 1HB TYR 517 -3.863 3.083 0.419 82 HD1 TYR 517 2HD TYR 517 -5.203 5.492 0.722 83 HD2 TYR 517 1HD TYR 517 -2.470 4.470 -2.372 84 HE1 TYR 517 2HE TYR 517 -6.261 7.153 -0.751 85 HE2 TYR 517 1HE TYR 517 -3.516 6.130 -3.853 86 HH TYR 517 HH TYR 517 -4.873 8.286 -3.535 87 H TRP 518 H TRP 518 -3.459 6.747 1.204 88 HA TRP 518 HA TRP 518 -1.232 8.026 0.023 89 HB2 TRP 518 2HB TRP 518 -2.553 10.132 0.696 90 HB3 TRP 518 1HB TRP 518 -3.345 9.000 -0.398 91 HD1 TRP 518 HD TRP 518 -3.213 8.098 3.287 92 HE1 TRP 518 1HE TRP 518 -5.575 8.243 4.278 93 HE3 TRP 518 3HE TRP 518 -5.603 10.276 -0.664 94 HZ2 TRP 518 2HZ TRP 518 -8.131 9.169 3.489 95 HZ3 TRP 518 3HZ TRP 518 -8.009 10.760 -0.470 96 HH2 TRP 518 HH TRP 518 -9.246 10.216 1.566 97 H THR 519 H THR 519 0.454 7.364 1.538 98 HA THR 519 HA THR 519 1.017 9.421 3.443 99 HB THR 519 HB THR 519 -0.401 8.198 4.890 100 HG1 THR 519 1HG THR 519 1.000 7.687 6.489 101 HG21 THR 519 3HG2 THR 519 1.031 5.632 4.698 102 HG22 THR 519 1HG2 THR 519 -0.084 6.034 3.391 103 HG23 THR 519 2HG2 THR 519 -0.664 5.971 5.058 104 H THR 520 H THR 520 1.787 6.032 2.755 105 HA THR 520 HA THR 520 4.602 6.813 2.434 106 HB THR 520 HB THR 520 4.127 5.414 4.486 107 HG1 THR 520 1HG THR 520 5.822 4.388 2.466 108 HG21 THR 520 3HG2 THR 520 2.821 3.719 2.588 109 HG22 THR 520 1HG2 THR 520 2.904 3.583 4.345 110 HG23 THR 520 2HG2 THR 520 4.164 2.861 3.345 111 H GLN 521 H GLN 521 1.879 5.865 0.892 112 HA GLN 521 HA GLN 521 3.255 4.214 -1.057 113 HB2 GLN 521 2HB GLN 521 1.258 3.234 -1.578 114 HB3 GLN 521 1HB GLN 521 0.893 3.732 0.068 115 HG2 GLN 521 2HG GLN 521 -0.974 4.405 -1.091 116 HG3 GLN 521 1HG GLN 521 -0.015 5.881 -1.027 117 HE21 GLN 521 1HE2 GLN 521 -0.290 6.940 -2.826 118 HE22 GLN 521 2HE2 GLN 521 -0.254 6.286 -4.422 119 H ASP 522 H ASP 522 1.560 7.197 -0.643 120 HA ASP 522 HA ASP 522 1.989 7.966 -3.429 121 HB2 ASP 522 2HB ASP 522 -0.074 8.498 -1.613 122 HB3 ASP 522 1HB ASP 522 0.785 10.025 -1.779 123 H GLU 523 H GLU 523 3.713 7.938 -0.745 124 HA GLU 523 HA GLU 523 5.301 10.278 -1.503 125 HB2 GLU 523 2HB GLU 523 5.125 9.590 1.389 126 HB3 GLU 523 1HB GLU 523 5.399 11.149 0.623 127 HG2 GLU 523 2HG GLU 523 2.935 10.868 -0.171 128 HG3 GLU 523 1HG GLU 523 2.838 9.732 1.176 129 H GLY 524 H GLY 524 5.013 7.068 -0.333 130 HA2 GLY 524 2HA GLY 524 7.941 6.778 -0.305 131 HA3 GLY 524 1HA GLY 524 6.842 5.784 0.646 132 H ALA 525 H ALA 525 4.906 5.653 -1.615 133 HA ALA 525 HA ALA 525 6.337 3.610 -3.172 134 HB1 ALA 525 1HB ALA 525 4.354 2.909 -1.799 135 HB2 ALA 525 2HB ALA 525 4.251 2.507 -3.513 136 HB3 ALA 525 3HB ALA 525 3.351 3.884 -2.873 137 H ALA 526 H ALA 526 6.276 6.524 -3.630 138 HA ALA 526 HA ALA 526 5.470 6.437 -6.443 139 HB1 ALA 526 1HB ALA 526 3.583 7.492 -5.584 140 HB2 ALA 526 2HB ALA 526 4.600 8.826 -6.131 141 HB3 ALA 526 3HB ALA 526 4.523 8.422 -4.415 142 H ILE 527 H ILE 527 7.796 7.173 -4.187 143 HA ILE 527 HA ILE 527 9.285 8.778 -6.130 144 HB ILE 527 HB ILE 527 10.152 9.675 -3.623 145 HG12 ILE 527 2HG1 ILE 527 7.812 8.707 -2.945 146 HG13 ILE 527 1HG1 ILE 527 8.314 10.283 -2.345 147 HG21 ILE 527 1HG2 ILE 527 10.295 11.274 -5.206 148 HG22 ILE 527 2HG2 ILE 527 8.746 11.768 -4.524 149 HG23 ILE 527 3HG2 ILE 527 8.791 10.791 -5.991 150 HD11 ILE 527 3HD1 ILE 527 6.724 10.128 -4.856 151 HD12 ILE 527 1HD1 ILE 527 6.794 11.403 -3.640 152 HD13 ILE 527 2HD1 ILE 527 5.917 9.910 -3.302 153 H GLY 528 H GLY 528 9.317 6.696 -3.282 154 HA2 GLY 528 2HA GLY 528 12.145 6.344 -3.226 155 HA3 GLY 528 1HA GLY 528 10.959 5.360 -2.383 156 H LEU 529 H LEU 529 11.019 3.295 -2.942 157 HA LEU 529 HA LEU 529 11.602 2.631 -5.752 158 HB2 LEU 529 2HB LEU 529 12.676 1.289 -3.286 159 HB3 LEU 529 1HB LEU 529 12.826 0.623 -4.895 160 HG LEU 529 HG LEU 529 14.059 3.179 -3.874 161 HD11 LEU 529 1HD1 LEU 529 16.139 1.845 -4.667 162 HD12 LEU 529 2HD1 LEU 529 15.081 0.443 -4.500 163 HD13 LEU 529 3HD1 LEU 529 15.409 1.472 -3.106 164 HD21 LEU 529 3HD2 LEU 529 14.129 1.984 -6.641 165 HD22 LEU 529 1HD2 LEU 529 15.103 3.347 -6.090 166 HD23 LEU 529 2HD2 LEU 529 13.348 3.493 -6.171 167 H ALA 530 H ALA 530 9.070 2.723 -5.408 168 HA ALA 530 HA ALA 530 7.991 0.214 -4.374 169 HB1 ALA 530 1HB ALA 530 5.963 1.668 -5.653 170 HB2 ALA 530 2HB ALA 530 6.977 2.857 -4.837 171 HB3 ALA 530 3HB ALA 530 6.258 1.533 -3.920 172 H TRP 531 H TRP 531 8.707 1.824 -7.330 173 HA TRP 531 HA TRP 531 7.279 0.125 -9.124 174 HB2 TRP 531 2HB TRP 531 9.233 1.185 -10.672 175 HB3 TRP 531 1HB TRP 531 7.799 2.092 -10.200 176 HD1 TRP 531 HD TRP 531 11.392 1.532 -8.861 177 HE1 TRP 531 1HE TRP 531 12.154 3.697 -7.714 178 HE3 TRP 531 3HE TRP 531 7.128 4.281 -9.436 179 HZ2 TRP 531 2HZ TRP 531 11.085 6.265 -7.142 180 HZ3 TRP 531 3HZ TRP 531 7.072 6.578 -8.560 181 HH2 TRP 531 HH TRP 531 9.004 7.547 -7.435 182 H ILE 532 H ILE 532 10.247 -0.052 -7.419 183 HA ILE 532 HA ILE 532 11.072 -2.428 -8.950 184 HB ILE 532 HB ILE 532 12.655 -0.644 -9.245 185 HG12 ILE 532 2HG1 ILE 532 13.650 -2.692 -7.257 186 HG13 ILE 532 1HG1 ILE 532 13.685 -2.814 -9.016 187 HG21 ILE 532 1HG2 ILE 532 11.953 -0.016 -6.556 188 HG22 ILE 532 2HG2 ILE 532 12.869 0.942 -7.718 189 HG23 ILE 532 3HG2 ILE 532 13.702 -0.197 -6.662 190 HD11 ILE 532 3HD1 ILE 532 14.998 -0.419 -8.191 191 HD12 ILE 532 1HD1 ILE 532 15.646 -1.800 -9.080 192 HD13 ILE 532 2HD1 ILE 532 15.664 -1.800 -7.316 193 HA PRO 533 HA PRO 533 10.056 -3.768 -4.628 194 HB2 PRO 533 2HB PRO 533 8.921 -6.133 -5.892 195 HB3 PRO 533 1HB PRO 533 8.133 -4.930 -4.871 196 HG2 PRO 533 2HG PRO 533 7.612 -5.178 -7.522 197 HG3 PRO 533 1HG PRO 533 7.503 -3.633 -6.657 198 HD2 PRO 533 2HD PRO 533 9.703 -4.677 -8.406 199 HD3 PRO 533 1HD PRO 533 9.006 -3.044 -8.325 200 H TYR 534 H TYR 534 11.178 -5.143 -3.374 201 HA TYR 534 HA TYR 534 12.267 -7.595 -4.011 202 HB2 TYR 534 2HB TYR 534 14.649 -7.105 -4.309 203 HB3 TYR 534 1HB TYR 534 13.692 -6.445 -5.626 204 HD1 TYR 534 1HD TYR 534 13.373 -4.011 -5.824 205 HD2 TYR 534 2HD TYR 534 15.855 -5.680 -2.800 206 HE1 TYR 534 1HE TYR 534 14.394 -1.805 -5.452 207 HE2 TYR 534 2HE TYR 534 16.881 -3.479 -2.417 208 HH TYR 534 HH TYR 534 16.915 -1.097 -4.392 209 H PHE 535 H PHE 535 12.736 -4.584 -2.290 210 HA PHE 535 HA PHE 535 13.856 -5.961 0.022 211 HB2 PHE 535 2HB PHE 535 14.152 -3.709 0.960 212 HB3 PHE 535 1HB PHE 535 14.863 -3.825 -0.647 213 HD1 PHE 535 2HD PHE 535 13.669 -2.825 -2.587 214 HD2 PHE 535 1HD PHE 535 12.418 -2.178 1.427 215 HE1 PHE 535 2HE PHE 535 12.357 -0.878 -3.318 216 HE2 PHE 535 1HE PHE 535 11.100 -0.229 0.704 217 HZ PHE 535 HZ PHE 535 11.069 0.421 -1.672 218 H GLY 536 H GLY 536 10.990 -6.168 -0.991 219 HA2 GLY 536 2HA GLY 536 9.088 -4.917 0.482 220 HA3 GLY 536 1HA GLY 536 8.993 -6.624 0.081 221 HA PRO 537 HA PRO 537 9.631 -7.768 4.308 222 HB2 PRO 537 2HB PRO 537 11.799 -9.363 4.477 223 HB3 PRO 537 1HB PRO 537 10.319 -9.865 3.651 224 HG2 PRO 537 2HG PRO 537 12.867 -8.804 2.495 225 HG3 PRO 537 1HG PRO 537 11.858 -10.149 1.933 226 HD2 PRO 537 2HD PRO 537 11.787 -7.661 0.827 227 HD3 PRO 537 1HD PRO 537 10.391 -8.755 0.846 228 H ALA 538 H ALA 538 11.917 -5.753 2.934 229 HA ALA 538 HA ALA 538 13.611 -5.504 5.275 230 HB1 ALA 538 1HB ALA 538 13.990 -3.414 3.330 231 HB2 ALA 538 2HB ALA 538 13.950 -4.994 2.546 232 HB3 ALA 538 3HB ALA 538 15.102 -4.683 3.845 233 H ALA 539 H ALA 539 11.454 -3.362 3.403 234 HA ALA 539 HA ALA 539 11.489 -1.242 5.252 235 HB1 ALA 539 1HB ALA 539 9.829 -0.256 3.961 236 HB2 ALA 539 2HB ALA 539 9.129 -1.809 3.509 237 HB3 ALA 539 3HB ALA 539 10.659 -1.295 2.801 238 H GLU 540 H GLU 540 9.141 -3.814 4.668 239 HA GLU 540 HA GLU 540 7.322 -4.511 5.882 240 HB2 GLU 540 2HB GLU 540 7.998 -5.555 7.944 241 HB3 GLU 540 1HB GLU 540 9.265 -5.747 6.739 242 HG2 GLU 540 2HG GLU 540 10.722 -4.394 7.844 243 HG3 GLU 540 1HG GLU 540 9.444 -3.437 8.592 244 H GLY 541 H GLY 541 7.577 -1.551 5.938 245 HA2 GLY 541 2HA GLY 541 5.633 -0.445 7.069 246 HA3 GLY 541 1HA GLY 541 6.296 -1.082 8.559 247 H ILE 542 H ILE 542 8.602 0.091 6.276 248 HA ILE 542 HA ILE 542 9.005 2.433 8.006 249 HB ILE 542 HB ILE 542 10.920 1.346 5.946 250 HG12 ILE 542 2HG1 ILE 542 11.463 1.020 8.842 251 HG13 ILE 542 1HG1 ILE 542 10.233 -0.035 8.150 252 HG21 ILE 542 1HG2 ILE 542 12.549 2.760 6.956 253 HG22 ILE 542 2HG2 ILE 542 11.448 3.192 8.265 254 HG23 ILE 542 3HG2 ILE 542 11.125 3.746 6.622 255 HD11 ILE 542 3HD1 ILE 542 12.356 -0.078 6.350 256 HD12 ILE 542 1HD1 ILE 542 11.860 -1.356 7.459 257 HD13 ILE 542 2HD1 ILE 542 13.085 -0.188 7.954 258 H TYR 543 H TYR 543 8.705 1.471 4.615 259 HA TYR 543 HA TYR 543 7.589 4.049 3.986 260 HB2 TYR 543 2HB TYR 543 9.444 4.069 1.980 261 HB3 TYR 543 1HB TYR 543 9.543 5.022 3.455 262 HD1 TYR 543 1HD TYR 543 10.161 1.378 2.912 263 HD2 TYR 543 2HD TYR 543 11.798 5.159 3.973 264 HE1 TYR 543 1HE TYR 543 12.295 0.294 3.459 265 HE2 TYR 543 2HE TYR 543 13.937 4.083 4.526 266 HH TYR 543 HH TYR 543 14.815 1.928 5.120 267 H ILE 544 H ILE 544 9.274 2.265 1.506 268 HA ILE 544 HA ILE 544 6.961 1.973 -0.061 269 HB ILE 544 HB ILE 544 9.559 0.478 -0.359 270 HG12 ILE 544 2HG1 ILE 544 9.506 2.633 -2.134 271 HG13 ILE 544 1HG1 ILE 544 8.921 3.301 -0.614 272 HG21 ILE 544 1HG2 ILE 544 7.603 -0.308 -1.701 273 HG22 ILE 544 2HG2 ILE 544 8.977 0.244 -2.658 274 HG23 ILE 544 3HG2 ILE 544 7.564 1.281 -2.464 275 HD11 ILE 544 3HD1 ILE 544 11.038 1.949 0.299 276 HD12 ILE 544 1HD1 ILE 544 11.121 3.618 -0.266 277 HD13 ILE 544 2HD1 ILE 544 11.597 2.300 -1.337 278 H GLU 545 H GLU 545 8.955 -0.611 1.395 279 HA GLU 545 HA GLU 545 8.471 -2.776 1.911 280 HB2 GLU 545 2HB GLU 545 5.678 -2.351 2.655 281 HB3 GLU 545 1HB GLU 545 7.033 -2.908 3.629 282 HG2 GLU 545 2HG GLU 545 7.663 -0.706 4.188 283 HG3 GLU 545 1HG GLU 545 6.619 -0.012 2.954 284 H GLY 546 H GLY 546 6.452 -4.464 1.749 285 HA2 GLY 546 2HA GLY 546 6.002 -4.676 -1.108 286 HA3 GLY 546 1HA GLY 546 5.624 -5.895 0.102 287 H LEU 547 H LEU 547 4.568 -2.807 -1.242 288 HA LEU 547 HA LEU 547 1.788 -3.585 -0.755 289 HB2 LEU 547 2HB LEU 547 1.258 -1.393 0.183 290 HB3 LEU 547 1HB LEU 547 2.439 -2.237 1.173 291 HG LEU 547 HG LEU 547 4.161 -0.863 -0.262 292 HD11 LEU 547 1HD1 LEU 547 2.927 1.500 -0.431 293 HD12 LEU 547 2HD1 LEU 547 1.565 0.439 -0.799 294 HD13 LEU 547 3HD1 LEU 547 3.027 0.367 -1.781 295 HD21 LEU 547 3HD2 LEU 547 3.682 1.085 1.454 296 HD22 LEU 547 1HD2 LEU 547 4.312 -0.476 1.982 297 HD23 LEU 547 2HD2 LEU 547 2.592 -0.115 2.148 298 H MET 548 H MET 548 3.354 -3.456 -3.184 299 HA MET 548 HA MET 548 2.805 -1.052 -4.584 300 HB2 MET 548 2HB MET 548 3.176 -3.713 -5.908 301 HB3 MET 548 1HB MET 548 3.608 -2.120 -6.504 302 HG2 MET 548 2HG MET 548 5.655 -2.365 -5.712 303 HG3 MET 548 1HG MET 548 5.010 -2.537 -4.082 304 HE1 MET 548 3HE MET 548 4.149 -5.569 -3.334 305 HE2 MET 548 1HE MET 548 5.099 -4.196 -2.764 306 HE3 MET 548 2HE MET 548 5.869 -5.767 -2.998 307 H HIS 549 H HIS 549 0.461 -1.980 -3.292 308 HA HIS 549 HA HIS 549 -1.250 -2.702 -5.572 309 HB2 HIS 549 2HB HIS 549 -2.209 -2.768 -2.731 310 HB3 HIS 549 1HB HIS 549 -2.744 -3.725 -4.108 311 HD1 HIS 549 1HD HIS 549 -1.064 -4.175 -1.072 312 HD2 HIS 549 2HD HIS 549 -0.336 -5.479 -4.948 313 HE1 HIS 549 1HE HIS 549 0.457 -6.163 -0.837 314 HE2 HIS 549 2HE HIS 549 0.807 -6.993 -3.190 315 H ASN 550 H ASN 550 -0.342 -0.264 -3.394 316 HA ASN 550 HA ASN 550 -0.955 1.905 -3.145 317 HB2 ASN 550 2HB ASN 550 -2.751 1.455 -5.531 318 HB3 ASN 550 1HB ASN 550 -2.196 3.008 -4.913 319 HD21 ASN 550 1HD2 ASN 550 0.478 2.213 -4.356 320 HD22 ASN 550 2HD2 ASN 550 1.281 1.981 -5.865 321 H GLN 551 H GLN 551 -3.674 -0.305 -3.623 322 HA GLN 551 HA GLN 551 -5.480 -0.666 -2.302 323 HB2 GLN 551 2HB GLN 551 -4.784 1.772 -0.688 324 HB3 GLN 551 1HB GLN 551 -5.798 0.412 -0.228 325 HG2 GLN 551 2HG GLN 551 -3.684 -1.001 -0.551 326 HG3 GLN 551 1HG GLN 551 -2.827 0.536 -0.459 327 HE21 GLN 551 1HE2 GLN 551 -2.881 1.715 1.478 328 HE22 GLN 551 2HE2 GLN 551 -3.293 0.968 2.981 329 H ASP 552 H ASP 552 -7.391 -0.321 -3.030 330 HA ASP 552 HA ASP 552 -8.418 2.362 -3.455 331 HB2 ASP 552 2HB ASP 552 -7.215 1.221 -5.584 332 HB3 ASP 552 1HB ASP 552 -8.844 0.581 -5.779 333 H GLY 553 H GLY 553 -9.402 0.924 -1.500 334 HA2 GLY 553 2HA GLY 553 -11.447 0.253 -0.678 335 HA3 GLY 553 1HA GLY 553 -12.104 0.433 -2.296 336 H LEU 554 H LEU 554 -9.501 -1.657 -1.077 337 HA LEU 554 HA LEU 554 -11.000 -3.958 -2.139 338 HB2 LEU 554 2HB LEU 554 -8.040 -3.789 -1.587 339 HB3 LEU 554 1HB LEU 554 -8.887 -5.089 -2.405 340 HG LEU 554 HG LEU 554 -8.433 -2.290 -3.432 341 HD11 LEU 554 1HD1 LEU 554 -7.198 -4.926 -3.875 342 HD12 LEU 554 2HD1 LEU 554 -6.516 -3.308 -4.033 343 HD13 LEU 554 3HD1 LEU 554 -7.518 -3.971 -5.323 344 HD21 LEU 554 3HD2 LEU 554 -10.113 -4.528 -4.548 345 HD22 LEU 554 1HD2 LEU 554 -9.571 -3.140 -5.493 346 HD23 LEU 554 2HD2 LEU 554 -10.638 -2.902 -4.109 347 H ILE 555 H ILE 555 -9.719 -2.532 0.703 348 HA ILE 555 HA ILE 555 -10.086 -5.043 2.187 349 HB ILE 555 HB ILE 555 -8.685 -2.612 3.271 350 HG12 ILE 555 2HG1 ILE 555 -6.863 -4.693 2.445 351 HG13 ILE 555 1HG1 ILE 555 -7.800 -4.137 1.064 352 HG21 ILE 555 1HG2 ILE 555 -7.994 -3.958 4.975 353 HG22 ILE 555 2HG2 ILE 555 -8.019 -5.416 3.982 354 HG23 ILE 555 3HG2 ILE 555 -9.529 -4.737 4.590 355 HD11 ILE 555 3HD1 ILE 555 -5.530 -2.965 2.125 356 HD12 ILE 555 1HD1 ILE 555 -6.853 -1.922 2.646 357 HD13 ILE 555 2HD1 ILE 555 -6.624 -2.267 0.931 358 H CYS 556 H CYS 556 -11.236 -1.812 1.793 359 HA CYS 556 HA CYS 556 -12.686 -1.739 4.277 360 HB2 CYS 556 2HB CYS 556 -11.727 0.288 3.065 361 HB3 CYS 556 1HB CYS 556 -13.047 0.109 1.920 362 H GLY 557 H GLY 557 -13.241 -3.893 2.309 363 HA2 GLY 557 2HA GLY 557 -15.882 -4.321 2.725 364 HA3 GLY 557 1HA GLY 557 -15.836 -3.370 1.244 365 H LEU 558 H LEU 558 -15.987 -4.593 -0.460 366 HA LEU 558 HA LEU 558 -14.215 -6.844 -0.809 367 HB2 LEU 558 2HB LEU 558 -16.909 -7.655 -1.544 368 HB3 LEU 558 1HB LEU 558 -15.678 -8.526 -0.652 369 HG LEU 558 HG LEU 558 -17.299 -6.391 0.697 370 HD11 LEU 558 1HD1 LEU 558 -18.620 -8.331 -0.546 371 HD12 LEU 558 2HD1 LEU 558 -19.105 -7.713 1.033 372 HD13 LEU 558 3HD1 LEU 558 -18.176 -9.208 0.919 373 HD21 LEU 558 3HD2 LEU 558 -16.110 -7.019 2.465 374 HD22 LEU 558 1HD2 LEU 558 -15.244 -8.193 1.473 375 HD23 LEU 558 2HD2 LEU 558 -16.727 -8.666 2.302 376 H ARG 559 H ARG 559 -16.815 -4.826 -2.068 377 HA ARG 559 HA ARG 559 -15.505 -4.876 -4.687 378 HB2 ARG 559 2HB ARG 559 -17.876 -4.832 -5.685 379 HB3 ARG 559 1HB ARG 559 -17.247 -6.375 -5.123 380 HG2 ARG 559 2HG ARG 559 -18.670 -6.457 -3.323 381 HG3 ARG 559 1HG ARG 559 -18.869 -4.704 -3.265 382 HD2 ARG 559 2HD ARG 559 -20.887 -5.265 -4.155 383 HD3 ARG 559 1HD ARG 559 -19.955 -5.126 -5.645 384 HE ARG 559 HE ARG 559 -19.793 -7.766 -4.693 385 HH11 ARG 559 1HH1 ARG 559 -22.092 -5.561 -6.121 386 HH12 ARG 559 2HH1 ARG 559 -23.023 -6.816 -6.866 387 HH21 ARG 559 1HH2 ARG 559 -21.017 -9.419 -5.673 388 HH22 ARG 559 2HH2 ARG 559 -22.414 -9.006 -6.612 389 H GLN 560 H GLN 560 -15.160 -2.890 -2.846 390 HA GLN 560 HA GLN 560 -16.887 -0.770 -2.713 391 HB2 GLN 560 2HB GLN 560 -13.884 -0.676 -3.043 392 HB3 GLN 560 1HB GLN 560 -14.868 0.698 -2.567 393 HG2 GLN 560 2HG GLN 560 -14.154 -1.748 -1.026 394 HG3 GLN 560 1HG GLN 560 -14.094 -0.053 -0.541 395 HE21 GLN 560 1HE2 GLN 560 -16.200 -2.795 -1.108 396 HE22 GLN 560 2HE2 GLN 560 -17.507 -2.243 -0.124 Start of MODEL 11 1 H1 ALA 507 1HT ALA 507 -11.202 -8.894 -2.009 2 H2 ALA 507 2HT ALA 507 -12.072 -8.136 -0.739 3 H3 ALA 507 3HT ALA 507 -12.915 -8.878 -2.037 4 HA ALA 507 HA ALA 507 -13.119 -10.413 -0.426 5 HB1 ALA 507 2HB ALA 507 -11.930 -12.268 -1.175 6 HB2 ALA 507 3HB ALA 507 -10.494 -11.317 -1.553 7 HB3 ALA 507 1HB ALA 507 -11.929 -11.190 -2.571 8 H GLN 508 H GLN 508 -12.347 -8.513 1.193 9 HA GLN 508 HA GLN 508 -11.011 -9.809 3.277 10 HB2 GLN 508 2HB GLN 508 -8.989 -8.218 3.333 11 HB3 GLN 508 1HB GLN 508 -8.934 -9.598 2.246 12 HG2 GLN 508 2HG GLN 508 -10.027 -7.653 0.660 13 HG3 GLN 508 1HG GLN 508 -8.896 -6.743 1.658 14 HE21 GLN 508 1HE2 GLN 508 -6.757 -8.129 1.965 15 HE22 GLN 508 2HE2 GLN 508 -6.055 -8.646 0.472 16 HA PRO 509 HA PRO 509 -13.084 -6.194 4.971 17 HB2 PRO 509 2HB PRO 509 -14.000 -7.306 7.145 18 HB3 PRO 509 1HB PRO 509 -14.509 -7.985 5.587 19 HG2 PRO 509 2HG PRO 509 -12.365 -8.935 7.450 20 HG3 PRO 509 1HG PRO 509 -13.633 -9.886 6.651 21 HD2 PRO 509 2HD PRO 509 -11.023 -9.570 5.719 22 HD3 PRO 509 1HD PRO 509 -12.404 -10.069 4.720 23 H LYS 510 H LYS 510 -11.710 -4.657 5.629 24 HA LYS 510 HA LYS 510 -10.614 -4.759 8.289 25 HB2 LYS 510 2HB LYS 510 -8.886 -4.897 5.889 26 HB3 LYS 510 1HB LYS 510 -8.346 -3.884 7.215 27 HG2 LYS 510 2HG LYS 510 -7.989 -5.654 8.606 28 HG3 LYS 510 1HG LYS 510 -9.213 -6.655 7.824 29 HD2 LYS 510 2HD LYS 510 -6.981 -5.954 6.073 30 HD3 LYS 510 1HD LYS 510 -6.501 -6.894 7.487 31 HE2 LYS 510 2HE LYS 510 -8.787 -8.169 6.610 32 HE3 LYS 510 1HE LYS 510 -7.975 -7.709 5.114 33 HZ1 LYS 510 3HZ LYS 510 -7.389 -9.943 6.176 34 HZ2 LYS 510 1HZ LYS 510 -6.493 -9.039 7.292 35 HZ3 LYS 510 2HZ LYS 510 -6.117 -8.963 5.644 36 H CYS 511 H CYS 511 -10.655 -3.004 5.266 37 HA CYS 511 HA CYS 511 -11.209 -0.874 4.756 38 HB2 CYS 511 2HB CYS 511 -12.226 -1.030 7.516 39 HB3 CYS 511 1HB CYS 511 -11.922 0.585 6.889 40 H ASN 512 H ASN 512 -8.666 -1.495 4.955 41 HA ASN 512 HA ASN 512 -7.533 1.013 5.978 42 HB2 ASN 512 2HB ASN 512 -6.833 -0.820 7.453 43 HB3 ASN 512 1HB ASN 512 -6.192 -1.697 6.069 44 HD21 ASN 512 1HD2 ASN 512 -5.814 1.740 6.101 45 HD22 ASN 512 2HD2 ASN 512 -4.137 1.760 6.502 46 HA PRO 513 HA PRO 513 -6.093 -0.013 1.588 47 HB2 PRO 513 2HB PRO 513 -8.104 0.199 -0.091 48 HB3 PRO 513 1HB PRO 513 -8.006 -1.224 0.952 49 HG2 PRO 513 2HG PRO 513 -9.683 1.243 1.299 50 HG3 PRO 513 1HG PRO 513 -10.151 -0.453 1.470 51 HD2 PRO 513 2HD PRO 513 -9.414 1.204 3.566 52 HD3 PRO 513 1HD PRO 513 -9.379 -0.567 3.596 53 H ASN 514 H ASN 514 -8.478 1.941 0.176 54 HA ASN 514 HA ASN 514 -6.701 4.090 -0.265 55 HB2 ASN 514 2HB ASN 514 -8.813 3.061 -1.598 56 HB3 ASN 514 1HB ASN 514 -9.572 4.466 -0.846 57 HD21 ASN 514 1HD2 ASN 514 -6.501 3.678 -2.396 58 HD22 ASN 514 2HD2 ASN 514 -6.463 5.060 -3.425 59 H LEU 515 H LEU 515 -7.534 3.631 2.577 60 HA LEU 515 HA LEU 515 -8.751 6.253 3.096 61 HB2 LEU 515 2HB LEU 515 -8.823 3.708 4.710 62 HB3 LEU 515 1HB LEU 515 -9.349 5.258 5.338 63 HG LEU 515 HG LEU 515 -11.332 4.218 4.674 64 HD11 LEU 515 1HD1 LEU 515 -10.907 5.590 2.087 65 HD12 LEU 515 2HD1 LEU 515 -10.672 6.543 3.551 66 HD13 LEU 515 3HD1 LEU 515 -12.219 5.747 3.256 67 HD21 LEU 515 3HD2 LEU 515 -11.122 2.386 3.418 68 HD22 LEU 515 1HD2 LEU 515 -9.627 2.962 2.680 69 HD23 LEU 515 2HD2 LEU 515 -11.186 3.465 2.024 70 H HIS 516 H HIS 516 -6.011 4.227 3.585 71 HA HIS 516 HA HIS 516 -4.781 6.326 5.238 72 HB2 HIS 516 2HB HIS 516 -5.356 3.983 6.320 73 HB3 HIS 516 1HB HIS 516 -3.871 3.494 5.509 74 HD1 HIS 516 1HD HIS 516 -4.046 3.513 8.580 75 HD2 HIS 516 2HD HIS 516 -2.615 6.682 6.305 76 HE1 HIS 516 1HE HIS 516 -2.564 4.834 10.124 77 HE2 HIS 516 2HE HIS 516 -1.648 6.702 8.704 78 H TYR 517 H TYR 517 -4.572 4.229 2.522 79 HA TYR 517 HA TYR 517 -2.008 3.809 1.902 80 HB2 TYR 517 2HB TYR 517 -2.592 3.933 -0.419 81 HB3 TYR 517 1HB TYR 517 -4.017 3.386 0.449 82 HD1 TYR 517 1HD TYR 517 -5.574 5.446 1.264 83 HD2 TYR 517 2HD TYR 517 -2.941 5.491 -2.078 84 HE1 TYR 517 1HE TYR 517 -6.896 7.259 0.255 85 HE2 TYR 517 2HE TYR 517 -4.254 7.305 -3.095 86 HH TYR 517 HH TYR 517 -6.912 8.055 -2.775 87 H TRP 518 H TRP 518 -3.591 6.951 1.424 88 HA TRP 518 HA TRP 518 -1.376 8.334 0.392 89 HB2 TRP 518 2HB TRP 518 -2.692 10.369 1.272 90 HB3 TRP 518 1HB TRP 518 -3.497 9.335 0.093 91 HD1 TRP 518 HD TRP 518 -3.296 8.078 3.662 92 HE1 TRP 518 1HE TRP 518 -5.632 8.122 4.714 93 HE3 TRP 518 3HE TRP 518 -5.771 10.647 0.004 94 HZ2 TRP 518 2HZ TRP 518 -8.203 9.118 4.080 95 HZ3 TRP 518 3HZ TRP 518 -8.171 11.102 0.302 96 HH2 TRP 518 HH TRP 518 -9.361 10.352 2.298 97 H THR 519 H THR 519 0.395 7.664 1.766 98 HA THR 519 HA THR 519 0.920 9.531 3.851 99 HB THR 519 HB THR 519 -0.446 8.153 5.203 100 HG1 THR 519 1HG THR 519 2.189 7.247 5.677 101 HG21 THR 519 3HG2 THR 519 -0.080 6.125 3.538 102 HG22 THR 519 1HG2 THR 519 -0.643 5.916 5.197 103 HG23 THR 519 2HG2 THR 519 1.057 5.655 4.800 104 H THR 520 H THR 520 1.786 6.235 2.888 105 HA THR 520 HA THR 520 4.551 7.144 2.511 106 HB THR 520 HB THR 520 4.288 5.793 4.606 107 HG1 THR 520 1HG THR 520 5.876 4.823 2.483 108 HG21 THR 520 3HG2 THR 520 3.543 3.613 2.680 109 HG22 THR 520 1HG2 THR 520 2.608 4.208 4.051 110 HG23 THR 520 2HG2 THR 520 4.112 3.328 4.324 111 H GLN 521 H GLN 521 1.822 5.945 1.110 112 HA GLN 521 HA GLN 521 3.234 4.311 -0.827 113 HB2 GLN 521 2HB GLN 521 1.197 3.358 -1.423 114 HB3 GLN 521 1HB GLN 521 0.993 3.655 0.298 115 HG2 GLN 521 2HG GLN 521 -0.950 4.536 -0.356 116 HG3 GLN 521 1HG GLN 521 0.032 5.960 -0.680 117 HE21 GLN 521 1HE2 GLN 521 -0.275 6.837 -2.568 118 HE22 GLN 521 2HE2 GLN 521 -0.802 6.038 -4.005 119 H ASP 522 H ASP 522 1.534 7.286 -0.472 120 HA ASP 522 HA ASP 522 1.829 7.939 -3.304 121 HB2 ASP 522 2HB ASP 522 -0.181 8.496 -1.475 122 HB3 ASP 522 1HB ASP 522 0.676 10.026 -1.629 123 H GLU 523 H GLU 523 3.674 8.012 -0.710 124 HA GLU 523 HA GLU 523 5.192 10.352 -1.603 125 HB2 GLU 523 2HB GLU 523 5.238 9.709 1.299 126 HB3 GLU 523 1HB GLU 523 5.385 11.266 0.494 127 HG2 GLU 523 2HG GLU 523 2.848 10.770 -0.093 128 HG3 GLU 523 1HG GLU 523 2.966 9.800 1.376 129 H GLY 524 H GLY 524 5.012 7.160 -0.352 130 HA2 GLY 524 2HA GLY 524 7.938 6.890 -0.537 131 HA3 GLY 524 1HA GLY 524 6.927 5.928 0.536 132 H ALA 525 H ALA 525 4.825 5.679 -1.551 133 HA ALA 525 HA ALA 525 6.147 3.591 -3.139 134 HB1 ALA 525 1HB ALA 525 4.067 2.443 -3.241 135 HB2 ALA 525 2HB ALA 525 3.190 3.843 -2.620 136 HB3 ALA 525 3HB ALA 525 4.283 2.950 -1.565 137 H ALA 526 H ALA 526 5.943 6.506 -3.681 138 HA ALA 526 HA ALA 526 4.935 6.284 -6.422 139 HB1 ALA 526 1HB ALA 526 4.107 8.338 -4.407 140 HB2 ALA 526 2HB ALA 526 3.093 7.322 -5.433 141 HB3 ALA 526 3HB ALA 526 4.013 8.651 -6.141 142 H ILE 527 H ILE 527 7.407 7.143 -4.395 143 HA ILE 527 HA ILE 527 8.735 8.657 -6.511 144 HB ILE 527 HB ILE 527 9.719 9.817 -4.188 145 HG12 ILE 527 2HG1 ILE 527 7.513 8.752 -3.218 146 HG13 ILE 527 1HG1 ILE 527 8.001 10.377 -2.749 147 HG21 ILE 527 1HG2 ILE 527 8.374 11.824 -5.021 148 HG22 ILE 527 2HG2 ILE 527 7.803 10.750 -6.298 149 HG23 ILE 527 3HG2 ILE 527 9.527 11.089 -6.136 150 HD11 ILE 527 3HD1 ILE 527 6.184 10.063 -5.078 151 HD12 ILE 527 1HD1 ILE 527 6.284 11.358 -3.886 152 HD13 ILE 527 2HD1 ILE 527 5.535 9.820 -3.456 153 H GLY 528 H GLY 528 8.952 6.847 -3.490 154 HA2 GLY 528 2HA GLY 528 11.787 6.544 -3.555 155 HA3 GLY 528 1HA GLY 528 10.666 5.629 -2.558 156 H LEU 529 H LEU 529 10.831 3.519 -2.907 157 HA LEU 529 HA LEU 529 11.201 2.617 -5.686 158 HB2 LEU 529 2HB LEU 529 12.720 1.901 -3.240 159 HB3 LEU 529 1HB LEU 529 12.414 0.628 -4.403 160 HG LEU 529 HG LEU 529 13.571 1.858 -6.136 161 HD11 LEU 529 1HD1 LEU 529 14.860 3.965 -5.143 162 HD12 LEU 529 2HD1 LEU 529 13.400 4.050 -4.159 163 HD13 LEU 529 3HD1 LEU 529 13.280 4.091 -5.917 164 HD21 LEU 529 3HD2 LEU 529 14.756 0.614 -4.064 165 HD22 LEU 529 1HD2 LEU 529 15.499 2.208 -3.936 166 HD23 LEU 529 2HD2 LEU 529 15.637 1.290 -5.435 167 H ALA 530 H ALA 530 8.811 2.505 -5.499 168 HA ALA 530 HA ALA 530 7.847 0.118 -4.068 169 HB1 ALA 530 1HB ALA 530 6.117 1.463 -3.620 170 HB2 ALA 530 2HB ALA 530 5.673 1.321 -5.320 171 HB3 ALA 530 3HB ALA 530 6.673 2.669 -4.781 172 H TRP 531 H TRP 531 8.332 1.540 -7.166 173 HA TRP 531 HA TRP 531 6.946 -0.363 -8.772 174 HB2 TRP 531 2HB TRP 531 8.730 0.724 -10.485 175 HB3 TRP 531 1HB TRP 531 7.272 1.571 -9.977 176 HD1 TRP 531 HD TRP 531 10.953 1.295 -8.787 177 HE1 TRP 531 1HE TRP 531 11.648 3.577 -7.836 178 HE3 TRP 531 3HE TRP 531 6.529 3.781 -9.363 179 HZ2 TRP 531 2HZ TRP 531 10.472 6.123 -7.405 180 HZ3 TRP 531 3HZ TRP 531 6.391 6.133 -8.655 181 HH2 TRP 531 HH TRP 531 8.318 7.278 -7.693 182 H ILE 532 H ILE 532 9.918 -0.368 -7.109 183 HA ILE 532 HA ILE 532 10.944 -2.600 -8.727 184 HB ILE 532 HB ILE 532 12.420 -0.711 -8.770 185 HG12 ILE 532 2HG1 ILE 532 13.475 -2.781 -6.830 186 HG13 ILE 532 1HG1 ILE 532 13.533 -2.882 -8.591 187 HG21 ILE 532 1HG2 ILE 532 13.359 -0.280 -6.217 188 HG22 ILE 532 2HG2 ILE 532 11.622 -0.473 -5.987 189 HG23 ILE 532 3HG2 ILE 532 12.233 0.748 -7.102 190 HD11 ILE 532 3HD1 ILE 532 14.681 -0.419 -7.666 191 HD12 ILE 532 1HD1 ILE 532 15.395 -1.691 -8.660 192 HD13 ILE 532 2HD1 ILE 532 15.457 -1.809 -6.900 193 HA PRO 533 HA PRO 533 9.670 -4.475 -4.660 194 HB2 PRO 533 2HB PRO 533 9.393 -6.855 -6.381 195 HB3 PRO 533 1HB PRO 533 8.234 -6.145 -5.254 196 HG2 PRO 533 2HG PRO 533 7.896 -5.970 -7.908 197 HG3 PRO 533 1HG PRO 533 7.424 -4.652 -6.819 198 HD2 PRO 533 2HD PRO 533 9.847 -4.897 -8.562 199 HD3 PRO 533 1HD PRO 533 8.827 -3.479 -8.240 200 H TYR 534 H TYR 534 11.839 -4.342 -3.929 201 HA TYR 534 HA TYR 534 13.528 -6.634 -4.677 202 HB2 TYR 534 2HB TYR 534 14.610 -4.620 -5.365 203 HB3 TYR 534 1HB TYR 534 14.266 -3.832 -3.831 204 HD1 TYR 534 1HD TYR 534 15.515 -7.287 -4.099 205 HD2 TYR 534 2HD TYR 534 16.516 -3.227 -3.336 206 HE1 TYR 534 1HE TYR 534 17.713 -7.997 -3.249 207 HE2 TYR 534 2HE TYR 534 18.717 -3.920 -2.484 208 HH TYR 534 HH TYR 534 19.473 -7.155 -1.764 209 H PHE 535 H PHE 535 12.346 -4.639 -2.016 210 HA PHE 535 HA PHE 535 13.280 -6.723 -0.150 211 HB2 PHE 535 2HB PHE 535 12.922 -4.549 1.464 212 HB3 PHE 535 1HB PHE 535 14.465 -5.040 0.776 213 HD1 PHE 535 1HD PHE 535 15.036 -4.046 -1.556 214 HD2 PHE 535 2HD PHE 535 12.133 -2.414 1.092 215 HE1 PHE 535 1HE PHE 535 15.216 -1.877 -2.704 216 HE2 PHE 535 2HE PHE 535 12.307 -0.242 -0.049 217 HZ PHE 535 HZ PHE 535 13.850 0.028 -1.951 218 H GLY 536 H GLY 536 10.706 -4.406 -0.883 219 HA2 GLY 536 2HA GLY 536 8.501 -4.334 -0.249 220 HA3 GLY 536 1HA GLY 536 8.602 -6.088 -0.247 221 HA PRO 537 HA PRO 537 7.450 -5.906 4.050 222 HB2 PRO 537 2HB PRO 537 9.040 -8.418 4.209 223 HB3 PRO 537 1HB PRO 537 7.384 -8.100 4.733 224 HG2 PRO 537 2HG PRO 537 7.855 -9.497 2.520 225 HG3 PRO 537 1HG PRO 537 6.520 -8.331 2.592 226 HD2 PRO 537 2HD PRO 537 9.187 -8.080 1.271 227 HD3 PRO 537 1HD PRO 537 7.602 -7.486 0.738 228 H ALA 538 H ALA 538 10.701 -6.162 2.899 229 HA ALA 538 HA ALA 538 12.025 -5.987 5.412 230 HB1 ALA 538 1HB ALA 538 12.772 -6.159 2.637 231 HB2 ALA 538 2HB ALA 538 13.695 -6.593 4.075 232 HB3 ALA 538 3HB ALA 538 13.738 -4.938 3.466 233 H ALA 539 H ALA 539 10.613 -3.698 3.225 234 HA ALA 539 HA ALA 539 11.890 -1.407 4.465 235 HB1 ALA 539 1HB ALA 539 10.039 -0.293 2.907 236 HB2 ALA 539 2HB ALA 539 10.141 -1.871 2.128 237 HB3 ALA 539 3HB ALA 539 11.584 -0.869 2.281 238 H GLU 540 H GLU 540 9.244 -3.388 4.997 239 HA GLU 540 HA GLU 540 7.113 -1.975 5.761 240 HB2 GLU 540 2HB GLU 540 6.517 -3.766 7.145 241 HB3 GLU 540 1HB GLU 540 7.576 -4.461 5.921 242 HG2 GLU 540 2HG GLU 540 9.452 -4.240 7.585 243 HG3 GLU 540 1HG GLU 540 8.224 -3.856 8.792 244 H GLY 541 H GLY 541 7.055 -0.060 6.722 245 HA2 GLY 541 2HA GLY 541 6.848 1.106 8.779 246 HA3 GLY 541 1HA GLY 541 8.156 0.141 9.430 247 H ILE 542 H ILE 542 9.370 0.913 6.554 248 HA ILE 542 HA ILE 542 10.658 3.311 7.647 249 HB ILE 542 HB ILE 542 11.603 1.732 5.268 250 HG12 ILE 542 2HG1 ILE 542 13.053 1.308 7.771 251 HG13 ILE 542 1HG1 ILE 542 11.396 0.711 7.833 252 HG21 ILE 542 1HG2 ILE 542 12.501 3.995 5.537 253 HG22 ILE 542 2HG2 ILE 542 13.746 2.768 5.769 254 HG23 ILE 542 3HG2 ILE 542 13.040 3.584 7.165 255 HD11 ILE 542 3HD1 ILE 542 12.856 0.008 5.401 256 HD12 ILE 542 1HD1 ILE 542 11.820 -0.971 6.437 257 HD13 ILE 542 2HD1 ILE 542 13.501 -0.688 6.889 258 H TYR 543 H TYR 543 8.868 2.131 4.869 259 HA TYR 543 HA TYR 543 7.819 4.606 4.182 260 HB2 TYR 543 2HB TYR 543 9.260 4.769 1.918 261 HB3 TYR 543 1HB TYR 543 9.681 5.638 3.389 262 HD1 TYR 543 1HD TYR 543 10.158 2.002 2.811 263 HD2 TYR 543 2HD TYR 543 12.014 5.821 3.091 264 HE1 TYR 543 1HE TYR 543 12.366 0.922 2.814 265 HE2 TYR 543 2HE TYR 543 14.228 4.750 3.094 266 HH TYR 543 HH TYR 543 14.851 1.817 3.831 267 H ILE 544 H ILE 544 9.134 2.987 1.414 268 HA ILE 544 HA ILE 544 6.721 2.483 0.202 269 HB ILE 544 HB ILE 544 9.126 0.722 -0.220 270 HG12 ILE 544 2HG1 ILE 544 9.200 2.850 -2.058 271 HG13 ILE 544 1HG1 ILE 544 8.931 3.593 -0.485 272 HG21 ILE 544 1HG2 ILE 544 6.620 0.880 -1.455 273 HG22 ILE 544 2HG2 ILE 544 8.036 -0.019 -2.004 274 HG23 ILE 544 3HG2 ILE 544 7.760 1.625 -2.574 275 HD11 ILE 544 3HD1 ILE 544 11.284 2.151 -1.524 276 HD12 ILE 544 1HD1 ILE 544 10.891 1.915 0.179 277 HD13 ILE 544 2HD1 ILE 544 11.183 3.540 -0.442 278 H GLU 545 H GLU 545 8.764 -0.147 1.449 279 HA GLU 545 HA GLU 545 8.271 -2.080 2.536 280 HB2 GLU 545 2HB GLU 545 5.453 -1.182 3.005 281 HB3 GLU 545 1HB GLU 545 6.486 -2.173 4.022 282 HG2 GLU 545 2HG GLU 545 7.552 -0.366 4.943 283 HG3 GLU 545 1HG GLU 545 7.268 0.657 3.543 284 H GLY 546 H GLY 546 6.764 -4.012 2.429 285 HA2 GLY 546 2HA GLY 546 6.273 -4.615 -0.316 286 HA3 GLY 546 1HA GLY 546 5.917 -5.656 1.055 287 H LEU 547 H LEU 547 4.756 -2.707 -0.539 288 HA LEU 547 HA LEU 547 2.007 -3.678 -0.204 289 HB2 LEU 547 2HB LEU 547 1.318 -1.345 0.371 290 HB3 LEU 547 1HB LEU 547 2.273 -2.148 1.606 291 HG LEU 547 HG LEU 547 4.288 -0.938 0.586 292 HD11 LEU 547 1HD1 LEU 547 3.518 1.303 -0.422 293 HD12 LEU 547 2HD1 LEU 547 2.016 0.447 -0.784 294 HD13 LEU 547 3HD1 LEU 547 3.541 -0.127 -1.457 295 HD21 LEU 547 3HD2 LEU 547 3.173 1.310 1.678 296 HD22 LEU 547 1HD2 LEU 547 3.945 0.006 2.580 297 HD23 LEU 547 2HD2 LEU 547 2.193 0.021 2.377 298 H MET 548 H MET 548 3.556 -3.812 -2.536 299 HA MET 548 HA MET 548 3.166 -1.589 -4.242 300 HB2 MET 548 2HB MET 548 3.414 -4.424 -5.181 301 HB3 MET 548 1HB MET 548 3.921 -2.955 -5.996 302 HG2 MET 548 2HG MET 548 5.944 -3.132 -5.125 303 HG3 MET 548 1HG MET 548 5.269 -3.109 -3.497 304 HE1 MET 548 3HE MET 548 5.864 -6.326 -2.083 305 HE2 MET 548 1HE MET 548 4.192 -5.985 -2.529 306 HE3 MET 548 2HE MET 548 5.246 -4.675 -1.998 307 H HIS 549 H HIS 549 0.739 -2.251 -2.902 308 HA HIS 549 HA HIS 549 -0.962 -3.058 -5.163 309 HB2 HIS 549 2HB HIS 549 -1.932 -2.991 -2.323 310 HB3 HIS 549 1HB HIS 549 -2.527 -3.949 -3.674 311 HD1 HIS 549 1HD HIS 549 -0.925 -4.474 -0.634 312 HD2 HIS 549 2HD HIS 549 -0.142 -5.791 -4.497 313 HE1 HIS 549 1HE HIS 549 0.518 -6.516 -0.369 314 HE2 HIS 549 2HE HIS 549 0.896 -7.352 -2.716 315 H ASN 550 H ASN 550 0.042 -0.548 -3.148 316 HA ASN 550 HA ASN 550 -0.490 1.647 -2.998 317 HB2 ASN 550 2HB ASN 550 -2.315 1.107 -5.344 318 HB3 ASN 550 1HB ASN 550 -1.769 2.690 -4.797 319 HD21 ASN 550 1HD2 ASN 550 0.902 1.990 -4.206 320 HD22 ASN 550 2HD2 ASN 550 1.715 1.671 -5.693 321 H GLN 551 H GLN 551 -3.446 -0.260 -3.572 322 HA GLN 551 HA GLN 551 -5.209 -0.559 -2.140 323 HB2 GLN 551 2HB GLN 551 -4.350 1.910 -0.645 324 HB3 GLN 551 1HB GLN 551 -5.523 0.709 -0.144 325 HG2 GLN 551 2HG GLN 551 -3.595 -0.959 -0.234 326 HG3 GLN 551 1HG GLN 551 -2.547 0.458 -0.281 327 HE21 GLN 551 1HE2 GLN 551 -3.173 -1.734 1.743 328 HE22 GLN 551 2HE2 GLN 551 -3.429 -0.868 3.216 329 H ASP 552 H ASP 552 -7.174 -0.071 -2.719 330 HA ASP 552 HA ASP 552 -8.030 2.609 -3.302 331 HB2 ASP 552 2HB ASP 552 -6.819 1.485 -5.396 332 HB3 ASP 552 1HB ASP 552 -8.414 0.771 -5.612 333 H GLY 553 H GLY 553 -9.075 1.181 -1.360 334 HA2 GLY 553 2HA GLY 553 -11.101 0.502 -0.519 335 HA3 GLY 553 1HA GLY 553 -11.804 0.910 -2.075 336 H LEU 554 H LEU 554 -9.366 -1.518 -1.148 337 HA LEU 554 HA LEU 554 -11.072 -3.546 -2.431 338 HB2 LEU 554 2HB LEU 554 -8.115 -3.756 -1.905 339 HB3 LEU 554 1HB LEU 554 -9.096 -4.802 -2.911 340 HG LEU 554 HG LEU 554 -8.319 -1.945 -3.483 341 HD11 LEU 554 1HD1 LEU 554 -6.523 -3.050 -4.265 342 HD12 LEU 554 2HD1 LEU 554 -7.586 -3.413 -5.625 343 HD13 LEU 554 3HD1 LEU 554 -7.370 -4.595 -4.335 344 HD21 LEU 554 3HD2 LEU 554 -9.560 -2.192 -5.576 345 HD22 LEU 554 1HD2 LEU 554 -10.627 -2.323 -4.177 346 HD23 LEU 554 2HD2 LEU 554 -10.135 -3.774 -5.050 347 H ILE 555 H ILE 555 -9.425 -2.671 0.501 348 HA ILE 555 HA ILE 555 -10.067 -5.274 1.690 349 HB ILE 555 HB ILE 555 -8.499 -3.167 3.129 350 HG12 ILE 555 2HG1 ILE 555 -6.753 -5.040 1.809 351 HG13 ILE 555 1HG1 ILE 555 -7.727 -4.200 0.608 352 HG21 ILE 555 1HG2 ILE 555 -7.712 -4.900 4.420 353 HG22 ILE 555 2HG2 ILE 555 -7.968 -6.102 3.158 354 HG23 ILE 555 3HG2 ILE 555 -9.345 -5.453 4.047 355 HD11 ILE 555 3HD1 ILE 555 -5.445 -3.281 2.033 356 HD12 ILE 555 1HD1 ILE 555 -6.824 -2.256 2.430 357 HD13 ILE 555 2HD1 ILE 555 -6.350 -2.483 0.747 358 H CYS 556 H CYS 556 -11.039 -1.987 1.685 359 HA CYS 556 HA CYS 556 -12.294 -1.975 4.242 360 HB2 CYS 556 2HB CYS 556 -11.460 0.058 2.958 361 HB3 CYS 556 1HB CYS 556 -12.886 -0.110 1.947 362 H GLY 557 H GLY 557 -13.086 -3.709 1.612 363 HA2 GLY 557 2HA GLY 557 -15.633 -4.374 2.558 364 HA3 GLY 557 1HA GLY 557 -15.811 -3.236 1.227 365 H LEU 558 H LEU 558 -16.311 -4.276 -0.538 366 HA LEU 558 HA LEU 558 -14.611 -6.429 -1.457 367 HB2 LEU 558 2HB LEU 558 -17.387 -7.180 -1.846 368 HB3 LEU 558 1HB LEU 558 -16.039 -8.130 -1.254 369 HG LEU 558 HG LEU 558 -17.424 -6.174 0.553 370 HD11 LEU 558 1HD1 LEU 558 -18.802 -8.117 1.331 371 HD12 LEU 558 2HD1 LEU 558 -18.311 -8.962 -0.137 372 HD13 LEU 558 3HD1 LEU 558 -19.240 -7.467 -0.250 373 HD21 LEU 558 3HD2 LEU 558 -15.293 -8.056 0.798 374 HD22 LEU 558 1HD2 LEU 558 -16.630 -8.575 1.824 375 HD23 LEU 558 2HD2 LEU 558 -15.944 -6.959 2.016 376 H ARG 559 H ARG 559 -17.293 -4.228 -2.029 377 HA ARG 559 HA ARG 559 -16.498 -4.103 -4.851 378 HB2 ARG 559 2HB ARG 559 -19.045 -3.611 -5.222 379 HB3 ARG 559 1HB ARG 559 -18.468 -5.269 -5.131 380 HG2 ARG 559 2HG ARG 559 -19.572 -5.688 -3.219 381 HG3 ARG 559 1HG ARG 559 -19.261 -4.079 -2.563 382 HD2 ARG 559 2HD ARG 559 -21.419 -3.672 -2.963 383 HD3 ARG 559 1HD ARG 559 -20.959 -3.567 -4.661 384 HE ARG 559 HE ARG 559 -22.005 -5.572 -5.041 385 HH11 ARG 559 1HH1 ARG 559 -21.643 -5.104 -1.601 386 HH12 ARG 559 2HH1 ARG 559 -22.641 -6.457 -1.186 387 HH21 ARG 559 1HH2 ARG 559 -23.316 -7.352 -4.497 388 HH22 ARG 559 2HH2 ARG 559 -23.588 -7.736 -2.830 389 H GLN 560 H GLN 560 -15.558 -2.379 -2.903 390 HA GLN 560 HA GLN 560 -16.983 -0.080 -2.359 391 HB2 GLN 560 2HB GLN 560 -14.036 -0.396 -2.953 392 HB3 GLN 560 1HB GLN 560 -14.747 1.087 -2.339 393 HG2 GLN 560 2HG GLN 560 -14.194 -1.472 -0.965 394 HG3 GLN 560 1HG GLN 560 -14.047 0.186 -0.383 395 HE21 GLN 560 1HE2 GLN 560 -16.294 -2.426 -1.028 396 HE22 GLN 560 2HE2 GLN 560 -17.526 -1.893 0.058 Start of MODEL 12 1 H1 ALA 507 1HT ALA 507 -10.150 -11.557 -0.442 2 H2 ALA 507 2HT ALA 507 -11.598 -12.082 -1.201 3 H3 ALA 507 3HT ALA 507 -11.158 -12.703 0.337 4 HA ALA 507 HA ALA 507 -11.723 -9.873 -0.212 5 HB1 ALA 507 2HB ALA 507 -13.511 -12.152 0.399 6 HB2 ALA 507 3HB ALA 507 -13.823 -10.673 -0.509 7 HB3 ALA 507 1HB ALA 507 -13.813 -10.639 1.254 8 H GLN 508 H GLN 508 -12.077 -8.674 1.762 9 HA GLN 508 HA GLN 508 -11.610 -9.694 4.334 10 HB2 GLN 508 2HB GLN 508 -9.354 -8.926 4.780 11 HB3 GLN 508 1HB GLN 508 -9.332 -10.067 3.443 12 HG2 GLN 508 2HG GLN 508 -9.271 -8.137 1.876 13 HG3 GLN 508 1HG GLN 508 -9.125 -7.070 3.273 14 HE21 GLN 508 1HE2 GLN 508 -7.216 -7.039 1.340 15 HE22 GLN 508 2HE2 GLN 508 -5.750 -7.726 1.941 16 HA PRO 509 HA PRO 509 -13.061 -5.462 4.735 17 HB2 PRO 509 2HB PRO 509 -14.543 -5.795 6.889 18 HB3 PRO 509 1HB PRO 509 -14.982 -6.629 5.391 19 HG2 PRO 509 2HG PRO 509 -13.630 -7.694 7.827 20 HG3 PRO 509 1HG PRO 509 -14.845 -8.467 6.794 21 HD2 PRO 509 2HD PRO 509 -12.051 -8.827 6.655 22 HD3 PRO 509 1HD PRO 509 -13.238 -9.341 5.440 23 H LYS 510 H LYS 510 -12.424 -3.719 5.856 24 HA LYS 510 HA LYS 510 -11.523 -3.525 8.463 25 HB2 LYS 510 2HB LYS 510 -9.438 -4.227 6.488 26 HB3 LYS 510 1HB LYS 510 -9.029 -2.990 7.670 27 HG2 LYS 510 2HG LYS 510 -8.745 -4.502 9.259 28 HG3 LYS 510 1HG LYS 510 -10.325 -5.213 8.929 29 HD2 LYS 510 2HD LYS 510 -8.706 -6.927 8.593 30 HD3 LYS 510 1HD LYS 510 -9.268 -6.424 6.998 31 HE2 LYS 510 2HE LYS 510 -7.108 -6.216 6.477 32 HE3 LYS 510 1HE LYS 510 -7.143 -4.746 7.451 33 HZ1 LYS 510 3HZ LYS 510 -6.699 -6.469 9.364 34 HZ2 LYS 510 1HZ LYS 510 -5.430 -5.843 8.436 35 HZ3 LYS 510 2HZ LYS 510 -6.046 -7.381 8.098 36 H CYS 511 H CYS 511 -10.726 -2.316 5.276 37 HA CYS 511 HA CYS 511 -11.082 -0.297 4.300 38 HB2 CYS 511 2HB CYS 511 -12.297 0.431 6.949 39 HB3 CYS 511 1HB CYS 511 -12.121 1.588 5.636 40 H ASN 512 H ASN 512 -8.636 -1.036 5.159 41 HA ASN 512 HA ASN 512 -7.482 1.479 6.133 42 HB2 ASN 512 2HB ASN 512 -6.883 -0.426 7.506 43 HB3 ASN 512 1HB ASN 512 -6.299 -1.300 6.095 44 HD21 ASN 512 1HD2 ASN 512 -5.739 2.125 6.571 45 HD22 ASN 512 2HD2 ASN 512 -4.040 2.000 6.846 46 HA PRO 513 HA PRO 513 -5.444 0.408 1.889 47 HB2 PRO 513 2HB PRO 513 -7.276 0.285 -0.098 48 HB3 PRO 513 1HB PRO 513 -6.701 -1.139 0.764 49 HG2 PRO 513 2HG PRO 513 -9.254 0.357 1.076 50 HG3 PRO 513 1HG PRO 513 -8.946 -1.375 1.205 51 HD2 PRO 513 2HD PRO 513 -9.251 0.326 3.339 52 HD3 PRO 513 1HD PRO 513 -8.409 -1.233 3.396 53 H ASN 514 H ASN 514 -8.405 1.870 0.657 54 HA ASN 514 HA ASN 514 -6.975 4.219 -0.113 55 HB2 ASN 514 2HB ASN 514 -8.807 4.722 -1.448 56 HB3 ASN 514 1HB ASN 514 -8.867 2.963 -1.369 57 HD21 ASN 514 1HD2 ASN 514 -10.338 2.017 0.207 58 HD22 ASN 514 2HD2 ASN 514 -11.814 2.838 0.568 59 H LEU 515 H LEU 515 -7.630 3.555 2.826 60 HA LEU 515 HA LEU 515 -8.698 6.211 3.488 61 HB2 LEU 515 2HB LEU 515 -9.112 3.698 5.107 62 HB3 LEU 515 1HB LEU 515 -9.783 5.282 5.440 63 HG LEU 515 HG LEU 515 -11.580 4.106 4.540 64 HD11 LEU 515 1HD1 LEU 515 -10.661 6.278 3.219 65 HD12 LEU 515 2HD1 LEU 515 -12.196 5.479 2.875 66 HD13 LEU 515 3HD1 LEU 515 -10.772 5.110 1.903 67 HD21 LEU 515 3HD2 LEU 515 -10.139 2.189 3.769 68 HD22 LEU 515 1HD2 LEU 515 -9.878 3.089 2.276 69 HD23 LEU 515 2HD2 LEU 515 -11.506 2.578 2.723 70 H HIS 516 H HIS 516 -5.940 5.341 3.128 71 HA HIS 516 HA HIS 516 -4.754 6.577 5.338 72 HB2 HIS 516 2HB HIS 516 -5.494 4.224 6.233 73 HB3 HIS 516 1HB HIS 516 -4.063 3.665 5.375 74 HD1 HIS 516 1HD HIS 516 -4.215 3.433 8.425 75 HD2 HIS 516 2HD HIS 516 -2.532 6.665 6.429 76 HE1 HIS 516 1HE HIS 516 -2.619 4.477 10.063 77 HE2 HIS 516 2HE HIS 516 -1.545 6.375 8.801 78 H TYR 517 H TYR 517 -4.380 4.260 2.733 79 HA TYR 517 HA TYR 517 -1.769 4.056 2.211 80 HB2 TYR 517 2HB TYR 517 -2.260 3.828 -0.107 81 HB3 TYR 517 1HB TYR 517 -3.675 3.269 0.767 82 HD1 TYR 517 1HD TYR 517 -5.410 5.302 1.267 83 HD2 TYR 517 2HD TYR 517 -2.685 5.093 -1.991 84 HE1 TYR 517 1HE TYR 517 -6.832 6.849 -0.011 85 HE2 TYR 517 2HE TYR 517 -4.096 6.641 -3.279 86 HH TYR 517 HH TYR 517 -7.265 7.469 -2.321 87 H TRP 518 H TRP 518 -3.641 6.968 1.455 88 HA TRP 518 HA TRP 518 -1.570 8.438 0.239 89 HB2 TRP 518 2HB TRP 518 -3.038 10.432 0.998 90 HB3 TRP 518 1HB TRP 518 -3.750 9.263 -0.112 91 HD1 TRP 518 HD TRP 518 -3.470 8.356 3.572 92 HE1 TRP 518 1HE TRP 518 -5.821 8.253 4.594 93 HE3 TRP 518 3HE TRP 518 -6.131 10.267 -0.349 94 HZ2 TRP 518 2HZ TRP 518 -8.469 8.901 3.839 95 HZ3 TRP 518 3HZ TRP 518 -8.571 10.491 -0.120 96 HH2 TRP 518 HH TRP 518 -9.715 9.821 1.931 97 H THR 519 H THR 519 0.239 7.948 1.664 98 HA THR 519 HA THR 519 0.721 10.022 3.556 99 HB THR 519 HB THR 519 -0.650 8.725 5.007 100 HG1 THR 519 1HG THR 519 2.025 8.035 5.623 101 HG21 THR 519 3HG2 THR 519 -0.160 6.566 3.575 102 HG22 THR 519 1HG2 THR 519 -0.704 6.484 5.253 103 HG23 THR 519 2HG2 THR 519 1.008 6.290 4.867 104 H THR 520 H THR 520 1.638 6.665 2.875 105 HA THR 520 HA THR 520 4.418 7.557 2.557 106 HB THR 520 HB THR 520 4.072 6.204 4.625 107 HG1 THR 520 1HG THR 520 5.665 5.160 2.540 108 HG21 THR 520 3HG2 THR 520 2.725 4.416 2.791 109 HG22 THR 520 1HG2 THR 520 2.701 4.466 4.553 110 HG23 THR 520 2HG2 THR 520 3.994 3.610 3.713 111 H GLN 521 H GLN 521 1.715 6.337 1.073 112 HA GLN 521 HA GLN 521 3.175 4.712 -0.827 113 HB2 GLN 521 2HB GLN 521 1.186 3.727 -1.398 114 HB3 GLN 521 1HB GLN 521 0.790 4.234 0.237 115 HG2 GLN 521 2HG GLN 521 -1.056 4.860 -1.009 116 HG3 GLN 521 1HG GLN 521 -0.139 6.354 -0.842 117 HE21 GLN 521 1HE2 GLN 521 -0.614 7.433 -2.624 118 HE22 GLN 521 2HE2 GLN 521 -0.388 6.856 -4.236 119 H ASP 522 H ASP 522 1.339 7.654 -0.611 120 HA ASP 522 HA ASP 522 1.775 8.326 -3.396 121 HB2 ASP 522 2HB ASP 522 -0.150 9.018 -1.510 122 HB3 ASP 522 1HB ASP 522 0.784 10.492 -1.734 123 H GLU 523 H GLU 523 3.687 8.283 -0.856 124 HA GLU 523 HA GLU 523 5.301 10.549 -1.764 125 HB2 GLU 523 2HB GLU 523 5.351 9.871 1.132 126 HB3 GLU 523 1HB GLU 523 5.576 11.426 0.340 127 HG2 GLU 523 2HG GLU 523 3.037 11.140 -0.239 128 HG3 GLU 523 1HG GLU 523 3.062 10.057 1.155 129 H GLY 524 H GLY 524 4.983 7.353 -0.559 130 HA2 GLY 524 2HA GLY 524 7.887 6.935 -0.826 131 HA3 GLY 524 1HA GLY 524 6.874 6.036 0.296 132 H ALA 525 H ALA 525 4.677 5.874 -1.704 133 HA ALA 525 HA ALA 525 5.810 3.675 -3.282 134 HB1 ALA 525 1HB ALA 525 3.595 2.756 -3.396 135 HB2 ALA 525 2HB ALA 525 2.899 4.221 -2.701 136 HB3 ALA 525 3HB ALA 525 3.925 3.181 -1.716 137 H ALA 526 H ALA 526 5.822 6.606 -3.844 138 HA ALA 526 HA ALA 526 4.823 6.439 -6.595 139 HB1 ALA 526 1HB ALA 526 4.134 8.897 -6.302 140 HB2 ALA 526 2HB ALA 526 4.154 8.541 -4.573 141 HB3 ALA 526 3HB ALA 526 3.076 7.646 -5.648 142 H ILE 527 H ILE 527 7.360 7.058 -4.570 143 HA ILE 527 HA ILE 527 8.852 8.388 -6.683 144 HB ILE 527 HB ILE 527 9.838 9.689 -4.478 145 HG12 ILE 527 2HG1 ILE 527 7.571 8.738 -3.430 146 HG13 ILE 527 1HG1 ILE 527 8.212 10.318 -2.993 147 HG21 ILE 527 1HG2 ILE 527 7.775 10.628 -6.460 148 HG22 ILE 527 2HG2 ILE 527 9.528 10.694 -6.637 149 HG23 ILE 527 3HG2 ILE 527 8.727 11.687 -5.420 150 HD11 ILE 527 3HD1 ILE 527 6.581 11.443 -4.157 151 HD12 ILE 527 1HD1 ILE 527 5.697 10.026 -3.586 152 HD13 ILE 527 2HD1 ILE 527 6.279 10.093 -5.252 153 H GLY 528 H GLY 528 8.849 6.809 -3.517 154 HA2 GLY 528 2HA GLY 528 11.649 6.365 -3.398 155 HA3 GLY 528 1HA GLY 528 10.431 5.529 -2.449 156 H LEU 529 H LEU 529 10.925 3.424 -2.641 157 HA LEU 529 HA LEU 529 11.239 2.388 -5.382 158 HB2 LEU 529 2HB LEU 529 12.430 0.740 -3.285 159 HB3 LEU 529 1HB LEU 529 13.065 1.219 -4.843 160 HG LEU 529 HG LEU 529 13.120 2.892 -2.336 161 HD11 LEU 529 1HD1 LEU 529 15.582 2.579 -2.571 162 HD12 LEU 529 2HD1 LEU 529 15.258 1.378 -3.821 163 HD13 LEU 529 3HD1 LEU 529 14.698 1.106 -2.170 164 HD21 LEU 529 3HD2 LEU 529 13.616 4.663 -3.583 165 HD22 LEU 529 1HD2 LEU 529 13.132 3.727 -4.997 166 HD23 LEU 529 2HD2 LEU 529 14.823 3.758 -4.496 167 H ALA 530 H ALA 530 8.928 2.108 -5.338 168 HA ALA 530 HA ALA 530 7.994 -0.195 -3.746 169 HB1 ALA 530 1HB ALA 530 5.845 0.964 -5.166 170 HB2 ALA 530 2HB ALA 530 6.780 2.290 -4.477 171 HB3 ALA 530 3HB ALA 530 6.152 1.018 -3.430 172 H TRP 531 H TRP 531 8.428 1.107 -6.908 173 HA TRP 531 HA TRP 531 7.126 -0.916 -8.429 174 HB2 TRP 531 2HB TRP 531 8.866 0.177 -10.183 175 HB3 TRP 531 1HB TRP 531 7.375 0.984 -9.705 176 HD1 TRP 531 HD TRP 531 11.038 0.874 -8.431 177 HE1 TRP 531 1HE TRP 531 11.652 3.219 -7.588 178 HE3 TRP 531 3HE TRP 531 6.577 3.217 -9.268 179 HZ2 TRP 531 2HZ TRP 531 10.407 5.756 -7.334 180 HZ3 TRP 531 3HZ TRP 531 6.365 5.600 -8.696 181 HH2 TRP 531 HH TRP 531 8.237 6.844 -7.745 182 H ILE 532 H ILE 532 10.155 -0.651 -6.850 183 HA ILE 532 HA ILE 532 11.420 -2.708 -8.469 184 HB ILE 532 HB ILE 532 12.702 -0.732 -7.804 185 HG12 ILE 532 2HG1 ILE 532 14.092 -2.800 -6.234 186 HG13 ILE 532 1HG1 ILE 532 13.572 -3.301 -7.844 187 HG21 ILE 532 1HG2 ILE 532 12.193 -1.709 -5.009 188 HG22 ILE 532 2HG2 ILE 532 11.765 -0.150 -5.714 189 HG23 ILE 532 3HG2 ILE 532 13.457 -0.556 -5.426 190 HD11 ILE 532 3HD1 ILE 532 15.261 -2.213 -8.760 191 HD12 ILE 532 1HD1 ILE 532 15.838 -1.802 -7.144 192 HD13 ILE 532 2HD1 ILE 532 14.744 -0.707 -7.994 193 HA PRO 533 HA PRO 533 10.102 -5.704 -5.377 194 HB2 PRO 533 2HB PRO 533 10.477 -7.899 -6.841 195 HB3 PRO 533 1HB PRO 533 9.170 -6.771 -7.220 196 HG2 PRO 533 2HG PRO 533 11.824 -7.111 -8.547 197 HG3 PRO 533 1HG PRO 533 10.239 -6.789 -9.273 198 HD2 PRO 533 2HD PRO 533 12.196 -4.877 -8.756 199 HD3 PRO 533 1HD PRO 533 10.477 -4.538 -9.032 200 H TYR 534 H TYR 534 12.255 -4.827 -4.366 201 HA TYR 534 HA TYR 534 14.396 -6.807 -4.603 202 HB2 TYR 534 2HB TYR 534 14.934 -4.377 -4.854 203 HB3 TYR 534 1HB TYR 534 14.446 -4.142 -3.179 204 HD1 TYR 534 2HD TYR 534 16.303 -7.087 -4.408 205 HD2 TYR 534 1HD TYR 534 16.534 -3.375 -2.352 206 HE1 TYR 534 2HE TYR 534 18.583 -7.647 -3.669 207 HE2 TYR 534 1HE TYR 534 18.811 -3.918 -1.607 208 HH TYR 534 HH TYR 534 20.728 -5.480 -2.530 209 H PHE 535 H PHE 535 12.659 -5.015 -2.050 210 HA PHE 535 HA PHE 535 13.151 -7.305 -0.257 211 HB2 PHE 535 2HB PHE 535 12.635 -5.354 1.506 212 HB3 PHE 535 1HB PHE 535 14.256 -5.678 0.902 213 HD1 PHE 535 2HD PHE 535 15.093 -4.304 -1.056 214 HD2 PHE 535 1HD PHE 535 11.634 -3.274 1.193 215 HE1 PHE 535 2HE PHE 535 15.247 -1.996 -1.892 216 HE2 PHE 535 1HE PHE 535 11.777 -0.961 0.363 217 HZ PHE 535 HZ PHE 535 13.587 -0.319 -1.181 218 H GLY 536 H GLY 536 10.836 -4.817 -1.224 219 HA2 GLY 536 2HA GLY 536 8.553 -4.723 -1.071 220 HA3 GLY 536 1HA GLY 536 8.602 -6.476 -1.075 221 HA PRO 537 HA PRO 537 6.701 -6.208 2.946 222 HB2 PRO 537 2HB PRO 537 7.844 -8.910 3.351 223 HB3 PRO 537 1HB PRO 537 6.164 -8.372 3.443 224 HG2 PRO 537 2HG PRO 537 7.028 -9.828 1.381 225 HG3 PRO 537 1HG PRO 537 5.851 -8.521 1.154 226 HD2 PRO 537 2HD PRO 537 8.788 -8.549 0.582 227 HD3 PRO 537 1HD PRO 537 7.462 -7.832 -0.357 228 H ALA 538 H ALA 538 10.041 -6.587 2.382 229 HA ALA 538 HA ALA 538 10.848 -6.788 5.131 230 HB1 ALA 538 1HB ALA 538 12.796 -7.375 4.241 231 HB2 ALA 538 2HB ALA 538 12.940 -5.821 3.420 232 HB3 ALA 538 3HB ALA 538 12.086 -7.154 2.642 233 H ALA 539 H ALA 539 9.889 -4.264 3.041 234 HA ALA 539 HA ALA 539 11.223 -2.215 4.648 235 HB1 ALA 539 1HB ALA 539 9.989 -2.288 1.951 236 HB2 ALA 539 2HB ALA 539 11.519 -1.579 2.474 237 HB3 ALA 539 3HB ALA 539 9.998 -0.756 2.823 238 H GLU 540 H GLU 540 8.282 -3.819 4.272 239 HA GLU 540 HA GLU 540 6.240 -2.142 4.710 240 HB2 GLU 540 2HB GLU 540 6.843 -4.888 5.277 241 HB3 GLU 540 1HB GLU 540 5.770 -4.231 6.509 242 HG2 GLU 540 2HG GLU 540 4.409 -3.344 4.496 243 HG3 GLU 540 1HG GLU 540 5.322 -4.537 3.573 244 H GLY 541 H GLY 541 6.299 -0.348 5.921 245 HA2 GLY 541 2HA GLY 541 5.617 0.434 8.109 246 HA3 GLY 541 1HA GLY 541 6.746 -0.709 8.807 247 H ILE 542 H ILE 542 8.539 0.358 6.405 248 HA ILE 542 HA ILE 542 9.664 2.500 8.059 249 HB ILE 542 HB ILE 542 11.100 1.304 5.726 250 HG12 ILE 542 2HG1 ILE 542 11.660 0.102 8.356 251 HG13 ILE 542 1HG1 ILE 542 10.092 -0.325 7.673 252 HG21 ILE 542 1HG2 ILE 542 12.932 1.706 7.651 253 HG22 ILE 542 2HG2 ILE 542 11.745 2.935 8.093 254 HG23 ILE 542 3HG2 ILE 542 12.459 2.938 6.480 255 HD11 ILE 542 3HD1 ILE 542 11.782 -0.621 5.548 256 HD12 ILE 542 1HD1 ILE 542 11.177 -1.911 6.585 257 HD13 ILE 542 2HD1 ILE 542 12.751 -1.184 6.912 258 H TYR 543 H TYR 543 8.393 1.858 4.848 259 HA TYR 543 HA TYR 543 7.816 4.558 4.375 260 HB2 TYR 543 2HB TYR 543 9.602 4.611 2.325 261 HB3 TYR 543 1HB TYR 543 9.881 5.341 3.903 262 HD1 TYR 543 2HD TYR 543 9.979 1.727 2.990 263 HD2 TYR 543 1HD TYR 543 12.191 5.164 4.177 264 HE1 TYR 543 2HE TYR 543 11.985 0.333 3.270 265 HE2 TYR 543 1HE TYR 543 14.202 3.779 4.458 266 HH TYR 543 HH TYR 543 15.052 1.548 3.500 267 H ILE 544 H ILE 544 9.253 2.941 1.674 268 HA ILE 544 HA ILE 544 6.838 2.982 0.211 269 HB ILE 544 HB ILE 544 9.302 1.454 -0.570 270 HG12 ILE 544 2HG1 ILE 544 9.487 3.994 -1.701 271 HG13 ILE 544 1HG1 ILE 544 9.011 4.305 -0.036 272 HG21 ILE 544 1HG2 ILE 544 6.946 2.617 -1.957 273 HG22 ILE 544 2HG2 ILE 544 7.765 1.076 -2.214 274 HG23 ILE 544 3HG2 ILE 544 8.488 2.570 -2.811 275 HD11 ILE 544 3HD1 ILE 544 11.446 4.316 -0.364 276 HD12 ILE 544 1HD1 ILE 544 11.368 2.627 -0.863 277 HD13 ILE 544 2HD1 ILE 544 10.921 3.082 0.780 278 H GLU 545 H GLU 545 8.639 0.377 1.776 279 HA GLU 545 HA GLU 545 8.093 -1.786 2.237 280 HB2 GLU 545 2HB GLU 545 5.209 -1.162 1.730 281 HB3 GLU 545 1HB GLU 545 5.922 -2.210 2.946 282 HG2 GLU 545 2HG GLU 545 6.731 -0.274 4.175 283 HG3 GLU 545 1HG GLU 545 6.076 0.798 2.937 284 H GLY 546 H GLY 546 6.159 -3.498 1.311 285 HA2 GLY 546 2HA GLY 546 6.802 -3.623 -1.567 286 HA3 GLY 546 1HA GLY 546 6.550 -5.027 -0.540 287 H LEU 547 H LEU 547 4.698 -2.036 -1.006 288 HA LEU 547 HA LEU 547 2.237 -3.525 -1.053 289 HB2 LEU 547 2HB LEU 547 1.254 -1.200 -1.471 290 HB3 LEU 547 1HB LEU 547 2.031 -1.505 0.069 291 HG LEU 547 HG LEU 547 4.044 -0.468 -1.602 292 HD11 LEU 547 1HD1 LEU 547 3.083 0.885 -3.061 293 HD12 LEU 547 2HD1 LEU 547 2.366 1.787 -1.726 294 HD13 LEU 547 3HD1 LEU 547 1.482 0.453 -2.464 295 HD21 LEU 547 3HD2 LEU 547 3.988 -0.098 0.750 296 HD22 LEU 547 1HD2 LEU 547 2.426 0.716 0.644 297 HD23 LEU 547 2HD2 LEU 547 3.866 1.473 -0.039 298 H MET 548 H MET 548 3.401 -1.046 -3.330 299 HA MET 548 HA MET 548 3.409 -0.909 -5.591 300 HB2 MET 548 2HB MET 548 3.023 -3.889 -5.385 301 HB3 MET 548 1HB MET 548 3.202 -3.044 -6.914 302 HG2 MET 548 2HG MET 548 5.410 -2.716 -6.637 303 HG3 MET 548 1HG MET 548 5.269 -2.490 -4.895 304 HE1 MET 548 3HE MET 548 3.697 -5.745 -4.316 305 HE2 MET 548 1HE MET 548 4.338 -4.337 -3.469 306 HE3 MET 548 2HE MET 548 5.189 -5.879 -3.384 307 H HIS 549 H HIS 549 0.698 -2.356 -3.998 308 HA HIS 549 HA HIS 549 -1.066 -2.088 -6.265 309 HB2 HIS 549 2HB HIS 549 -2.759 -2.439 -4.165 310 HB3 HIS 549 1HB HIS 549 -1.992 -3.760 -5.040 311 HD1 HIS 549 1HD HIS 549 -0.778 -1.519 -2.206 312 HD2 HIS 549 2HD HIS 549 -1.107 -5.537 -3.212 313 HE1 HIS 549 1HE HIS 549 0.289 -2.773 -0.312 314 HE2 HIS 549 2HE HIS 549 -0.037 -5.208 -0.880 315 H ASN 550 H ASN 550 -0.086 -0.240 -3.508 316 HA ASN 550 HA ASN 550 -0.340 1.985 -3.066 317 HB2 ASN 550 2HB ASN 550 -2.382 2.180 -5.279 318 HB3 ASN 550 1HB ASN 550 -1.415 3.471 -4.579 319 HD21 ASN 550 1HD2 ASN 550 1.073 2.272 -4.550 320 HD22 ASN 550 2HD2 ASN 550 1.601 2.029 -6.175 321 H GLN 551 H GLN 551 -3.103 -0.121 -3.424 322 HA GLN 551 HA GLN 551 -4.893 -0.441 -2.084 323 HB2 GLN 551 2HB GLN 551 -3.794 1.825 -0.416 324 HB3 GLN 551 1HB GLN 551 -5.067 0.717 0.048 325 HG2 GLN 551 2HG GLN 551 -3.404 -1.145 -0.194 326 HG3 GLN 551 1HG GLN 551 -2.164 0.097 -0.372 327 HE21 GLN 551 1HE2 GLN 551 -2.235 1.792 1.410 328 HE22 GLN 551 2HE2 GLN 551 -2.425 1.196 3.020 329 H ASP 552 H ASP 552 -6.850 0.103 -2.672 330 HA ASP 552 HA ASP 552 -7.740 2.834 -2.765 331 HB2 ASP 552 2HB ASP 552 -6.626 1.689 -5.127 332 HB3 ASP 552 1HB ASP 552 -8.356 1.900 -5.381 333 H GLY 553 H GLY 553 -8.537 0.327 -1.485 334 HA2 GLY 553 2HA GLY 553 -10.884 0.047 -0.849 335 HA3 GLY 553 1HA GLY 553 -11.286 0.175 -2.555 336 H LEU 554 H LEU 554 -8.911 -1.757 -0.734 337 HA LEU 554 HA LEU 554 -9.939 -4.144 -2.118 338 HB2 LEU 554 2HB LEU 554 -7.231 -3.438 -1.024 339 HB3 LEU 554 1HB LEU 554 -7.669 -5.098 -1.372 340 HG LEU 554 HG LEU 554 -6.391 -3.545 -3.119 341 HD11 LEU 554 1HD1 LEU 554 -6.632 -5.300 -4.492 342 HD12 LEU 554 2HD1 LEU 554 -8.393 -5.211 -4.462 343 HD13 LEU 554 3HD1 LEU 554 -7.529 -6.013 -3.150 344 HD21 LEU 554 3HD2 LEU 554 -7.954 -2.716 -4.821 345 HD22 LEU 554 1HD2 LEU 554 -8.141 -1.869 -3.285 346 HD23 LEU 554 2HD2 LEU 554 -9.307 -3.105 -3.758 347 H ILE 555 H ILE 555 -8.610 -3.064 0.983 348 HA ILE 555 HA ILE 555 -9.620 -5.427 2.319 349 HB ILE 555 HB ILE 555 -8.269 -3.133 3.705 350 HG12 ILE 555 2HG1 ILE 555 -6.188 -4.757 3.252 351 HG13 ILE 555 1HG1 ILE 555 -7.106 -5.096 1.788 352 HG21 ILE 555 1HG2 ILE 555 -7.844 -4.614 5.387 353 HG22 ILE 555 2HG2 ILE 555 -7.810 -6.006 4.305 354 HG23 ILE 555 3HG2 ILE 555 -9.353 -5.287 4.769 355 HD11 ILE 555 3HD1 ILE 555 -5.302 -3.101 2.052 356 HD12 ILE 555 1HD1 ILE 555 -6.801 -2.249 2.415 357 HD13 ILE 555 2HD1 ILE 555 -6.622 -3.103 0.881 358 H CYS 556 H CYS 556 -10.601 -2.155 1.815 359 HA CYS 556 HA CYS 556 -12.153 -1.761 4.123 360 HB2 CYS 556 2HB CYS 556 -11.504 0.016 2.464 361 HB3 CYS 556 1HB CYS 556 -12.733 -0.631 1.389 362 H GLY 557 H GLY 557 -12.605 -3.885 1.535 363 HA2 GLY 557 2HA GLY 557 -15.000 -4.898 2.667 364 HA3 GLY 557 1HA GLY 557 -15.342 -3.977 1.209 365 H LEU 558 H LEU 558 -15.579 -5.222 -0.471 366 HA LEU 558 HA LEU 558 -13.626 -7.315 -1.001 367 HB2 LEU 558 2HB LEU 558 -16.072 -8.470 -1.734 368 HB3 LEU 558 1HB LEU 558 -14.992 -8.974 -0.449 369 HG LEU 558 HG LEU 558 -17.108 -6.883 0.000 370 HD11 LEU 558 1HD1 LEU 558 -17.367 -9.851 -0.080 371 HD12 LEU 558 2HD1 LEU 558 -18.489 -8.605 -0.627 372 HD13 LEU 558 3HD1 LEU 558 -18.302 -8.927 1.097 373 HD21 LEU 558 3HD2 LEU 558 -16.164 -6.787 2.013 374 HD22 LEU 558 1HD2 LEU 558 -15.041 -8.080 1.590 375 HD23 LEU 558 2HD2 LEU 558 -16.618 -8.472 2.273 376 H ARG 559 H ARG 559 -16.364 -5.387 -2.084 377 HA ARG 559 HA ARG 559 -15.409 -5.665 -4.854 378 HB2 ARG 559 2HB ARG 559 -17.789 -4.740 -5.359 379 HB3 ARG 559 1HB ARG 559 -17.600 -6.435 -4.932 380 HG2 ARG 559 2HG ARG 559 -18.697 -6.208 -2.973 381 HG3 ARG 559 1HG ARG 559 -18.086 -4.576 -2.694 382 HD2 ARG 559 2HD ARG 559 -19.636 -4.041 -4.773 383 HD3 ARG 559 1HD ARG 559 -20.475 -5.486 -4.211 384 HE ARG 559 HE ARG 559 -20.231 -4.033 -1.957 385 HH11 ARG 559 1HH1 ARG 559 -21.415 -3.248 -5.146 386 HH12 ARG 559 2HH1 ARG 559 -22.533 -2.057 -4.573 387 HH21 ARG 559 1HH2 ARG 559 -21.703 -2.468 -1.203 388 HH22 ARG 559 2HH2 ARG 559 -22.697 -1.614 -2.335 389 H GLN 560 H GLN 560 -14.598 -3.801 -2.598 390 HA GLN 560 HA GLN 560 -15.511 -1.198 -3.143 391 HB2 GLN 560 2HB GLN 560 -13.324 -2.434 -1.611 392 HB3 GLN 560 1HB GLN 560 -12.965 -0.818 -2.196 393 HG2 GLN 560 2HG GLN 560 -14.059 -1.191 0.146 394 HG3 GLN 560 1HG GLN 560 -14.534 0.170 -0.867 395 HE21 GLN 560 1HE2 GLN 560 -15.398 -3.274 -0.843 396 HE22 GLN 560 2HE2 GLN 560 -17.105 -3.022 -0.739 Start of MODEL 13 1 H1 ALA 507 1HT ALA 507 -10.874 -10.361 -2.258 2 H2 ALA 507 2HT ALA 507 -11.055 -11.724 -1.231 3 H3 ALA 507 3HT ALA 507 -9.728 -10.657 -1.020 4 HA ALA 507 HA ALA 507 -11.508 -8.896 -0.694 5 HB1 ALA 507 2HB ALA 507 -13.634 -9.528 -0.390 6 HB2 ALA 507 3HB ALA 507 -13.179 -10.965 0.523 7 HB3 ALA 507 1HB ALA 507 -13.158 -10.999 -1.240 8 H GLN 508 H GLN 508 -11.929 -8.320 1.561 9 HA GLN 508 HA GLN 508 -11.158 -9.882 3.749 10 HB2 GLN 508 2HB GLN 508 -9.005 -8.562 4.267 11 HB3 GLN 508 1HB GLN 508 -8.915 -9.876 3.101 12 HG2 GLN 508 2HG GLN 508 -9.088 -8.233 1.275 13 HG3 GLN 508 1HG GLN 508 -9.092 -6.939 2.471 14 HE21 GLN 508 1HE2 GLN 508 -7.211 -6.514 0.854 15 HE22 GLN 508 2HE2 GLN 508 -5.661 -7.056 1.389 16 HA PRO 509 HA PRO 509 -13.113 -6.204 5.395 17 HB2 PRO 509 2HB PRO 509 -13.949 -7.193 7.673 18 HB3 PRO 509 1HB PRO 509 -14.530 -7.928 6.167 19 HG2 PRO 509 2HG PRO 509 -12.281 -8.811 7.943 20 HG3 PRO 509 1HG PRO 509 -13.634 -9.781 7.323 21 HD2 PRO 509 2HD PRO 509 -11.154 -9.694 6.148 22 HD3 PRO 509 1HD PRO 509 -12.650 -10.026 5.251 23 H LYS 510 H LYS 510 -11.794 -4.603 5.957 24 HA LYS 510 HA LYS 510 -10.555 -4.610 8.566 25 HB2 LYS 510 2HB LYS 510 -8.984 -4.730 6.058 26 HB3 LYS 510 1HB LYS 510 -8.414 -3.622 7.297 27 HG2 LYS 510 2HG LYS 510 -8.134 -5.381 8.863 28 HG3 LYS 510 1HG LYS 510 -8.989 -6.523 7.825 29 HD2 LYS 510 2HD LYS 510 -6.979 -5.636 6.191 30 HD3 LYS 510 1HD LYS 510 -6.196 -5.660 7.772 31 HE2 LYS 510 2HE LYS 510 -7.758 -7.979 6.654 32 HE3 LYS 510 1HE LYS 510 -6.018 -7.789 6.443 33 HZ1 LYS 510 3HZ LYS 510 -7.437 -8.007 9.043 34 HZ2 LYS 510 1HZ LYS 510 -5.769 -7.797 8.854 35 HZ3 LYS 510 2HZ LYS 510 -6.508 -9.219 8.314 36 H CYS 511 H CYS 511 -10.724 -2.861 5.537 37 HA CYS 511 HA CYS 511 -11.442 -0.786 5.012 38 HB2 CYS 511 2HB CYS 511 -12.510 -1.078 7.700 39 HB3 CYS 511 1HB CYS 511 -12.135 0.592 7.294 40 H ASN 512 H ASN 512 -8.811 -1.267 5.275 41 HA ASN 512 HA ASN 512 -7.870 1.373 6.120 42 HB2 ASN 512 2HB ASN 512 -7.198 -0.698 7.618 43 HB3 ASN 512 1HB ASN 512 -6.006 -0.950 6.347 44 HD21 ASN 512 1HD2 ASN 512 -5.782 1.950 5.819 45 HD22 ASN 512 2HD2 ASN 512 -4.841 2.581 7.116 46 HA PRO 513 HA PRO 513 -6.274 -0.116 1.880 47 HB2 PRO 513 2HB PRO 513 -8.201 0.430 0.126 48 HB3 PRO 513 1HB PRO 513 -8.227 -1.065 1.062 49 HG2 PRO 513 2HG PRO 513 -9.729 1.486 1.548 50 HG3 PRO 513 1HG PRO 513 -10.327 -0.180 1.588 51 HD2 PRO 513 2HD PRO 513 -9.617 1.217 3.827 52 HD3 PRO 513 1HD PRO 513 -9.525 -0.550 3.696 53 H ASN 514 H ASN 514 -8.399 2.196 0.479 54 HA ASN 514 HA ASN 514 -6.225 4.026 0.140 55 HB2 ASN 514 2HB ASN 514 -7.613 5.153 -1.432 56 HB3 ASN 514 1HB ASN 514 -7.894 3.428 -1.646 57 HD21 ASN 514 1HD2 ASN 514 -9.933 2.986 -2.011 58 HD22 ASN 514 2HD2 ASN 514 -11.297 3.790 -1.324 59 H LEU 515 H LEU 515 -8.115 3.597 2.712 60 HA LEU 515 HA LEU 515 -8.590 6.442 3.213 61 HB2 LEU 515 2HB LEU 515 -9.478 4.033 4.804 62 HB3 LEU 515 1HB LEU 515 -9.951 5.697 5.099 63 HG LEU 515 HG LEU 515 -11.783 4.702 3.988 64 HD11 LEU 515 1HD1 LEU 515 -11.827 5.864 1.787 65 HD12 LEU 515 2HD1 LEU 515 -10.118 6.251 2.006 66 HD13 LEU 515 3HD1 LEU 515 -11.319 6.893 3.129 67 HD21 LEU 515 3HD2 LEU 515 -10.405 3.848 1.546 68 HD22 LEU 515 1HD2 LEU 515 -11.665 3.038 2.479 69 HD23 LEU 515 2HD2 LEU 515 -9.977 2.919 2.982 70 H HIS 516 H HIS 516 -5.989 5.747 3.106 71 HA HIS 516 HA HIS 516 -4.846 6.806 5.359 72 HB2 HIS 516 2HB HIS 516 -5.674 4.179 5.925 73 HB3 HIS 516 1HB HIS 516 -3.933 4.078 5.686 74 HD1 HIS 516 1HD HIS 516 -5.661 3.878 8.438 75 HD2 HIS 516 2HD HIS 516 -3.240 7.004 7.158 76 HE1 HIS 516 1HE HIS 516 -4.994 5.111 10.527 77 HE2 HIS 516 2HE HIS 516 -3.599 7.047 9.720 78 H TYR 517 H TYR 517 -4.578 4.475 2.778 79 HA TYR 517 HA TYR 517 -1.955 4.100 2.326 80 HB2 TYR 517 2HB TYR 517 -2.459 3.713 0.064 81 HB3 TYR 517 1HB TYR 517 -3.982 3.428 0.888 82 HD1 TYR 517 1HD TYR 517 -5.327 5.846 1.183 83 HD2 TYR 517 2HD TYR 517 -2.708 4.747 -1.981 84 HE1 TYR 517 1HE TYR 517 -6.450 7.458 -0.294 85 HE2 TYR 517 2HE TYR 517 -3.816 6.361 -3.468 86 HH TYR 517 HH TYR 517 -6.774 7.803 -2.737 87 H TRP 518 H TRP 518 -3.696 7.086 1.636 88 HA TRP 518 HA TRP 518 -1.589 8.462 0.344 89 HB2 TRP 518 2HB TRP 518 -2.973 10.510 1.095 90 HB3 TRP 518 1HB TRP 518 -3.751 9.353 0.018 91 HD1 TRP 518 HD TRP 518 -3.440 8.453 3.697 92 HE1 TRP 518 1HE TRP 518 -5.772 8.467 4.767 93 HE3 TRP 518 3HE TRP 518 -6.079 10.493 -0.168 94 HZ2 TRP 518 2HZ TRP 518 -8.398 9.253 4.069 95 HZ3 TRP 518 3HZ TRP 518 -8.500 10.846 0.111 96 HH2 TRP 518 HH TRP 518 -9.634 10.236 2.186 97 H THR 519 H THR 519 0.209 7.911 1.755 98 HA THR 519 HA THR 519 0.758 9.975 3.650 99 HB THR 519 HB THR 519 -0.576 8.692 5.131 100 HG1 THR 519 1HG THR 519 2.084 7.872 5.637 101 HG21 THR 519 3HG2 THR 519 -0.198 6.548 3.625 102 HG22 THR 519 1HG2 THR 519 -0.730 6.456 5.306 103 HG23 THR 519 2HG2 THR 519 0.967 6.196 4.902 104 H THR 520 H THR 520 1.633 6.617 2.933 105 HA THR 520 HA THR 520 4.397 7.504 2.495 106 HB THR 520 HB THR 520 4.110 6.206 4.625 107 HG1 THR 520 1HG THR 520 6.062 6.205 3.288 108 HG21 THR 520 3HG2 THR 520 2.759 4.353 2.889 109 HG22 THR 520 1HG2 THR 520 2.867 4.379 4.648 110 HG23 THR 520 2HG2 THR 520 4.127 3.588 3.701 111 H GLN 521 H GLN 521 1.650 6.246 1.147 112 HA GLN 521 HA GLN 521 3.056 4.573 -0.759 113 HB2 GLN 521 2HB GLN 521 1.063 3.540 -1.232 114 HB3 GLN 521 1HB GLN 521 0.733 4.066 0.411 115 HG2 GLN 521 2HG GLN 521 -1.179 4.678 -0.705 116 HG3 GLN 521 1HG GLN 521 -0.250 6.173 -0.710 117 HE21 GLN 521 1HE2 GLN 521 -0.745 7.156 -2.527 118 HE22 GLN 521 2HE2 GLN 521 -0.687 6.459 -4.106 119 H ASP 522 H ASP 522 1.216 7.501 -0.526 120 HA ASP 522 HA ASP 522 1.510 8.100 -3.352 121 HB2 ASP 522 2HB ASP 522 -0.382 8.778 -1.437 122 HB3 ASP 522 1HB ASP 522 0.509 10.273 -1.696 123 H GLU 523 H GLU 523 3.498 8.184 -0.869 124 HA GLU 523 HA GLU 523 5.022 10.457 -1.905 125 HB2 GLU 523 2HB GLU 523 5.192 9.918 1.012 126 HB3 GLU 523 1HB GLU 523 5.321 11.443 0.144 127 HG2 GLU 523 2HG GLU 523 2.765 11.016 -0.304 128 HG3 GLU 523 1HG GLU 523 2.909 10.024 1.148 129 H GLY 524 H GLY 524 4.830 7.318 -0.522 130 HA2 GLY 524 2HA GLY 524 7.738 6.971 -0.843 131 HA3 GLY 524 1HA GLY 524 6.769 6.084 0.326 132 H ALA 525 H ALA 525 4.564 5.837 -1.700 133 HA ALA 525 HA ALA 525 5.747 3.612 -3.210 134 HB1 ALA 525 1HB ALA 525 3.592 2.572 -3.217 135 HB2 ALA 525 2HB ALA 525 2.826 4.029 -2.582 136 HB3 ALA 525 3HB ALA 525 3.921 3.095 -1.566 137 H ALA 526 H ALA 526 5.580 6.535 -3.840 138 HA ALA 526 HA ALA 526 4.529 6.238 -6.558 139 HB1 ALA 526 1HB ALA 526 2.743 7.365 -5.552 140 HB2 ALA 526 2HB ALA 526 3.680 8.635 -6.339 141 HB3 ALA 526 3HB ALA 526 3.817 8.388 -4.598 142 H ILE 527 H ILE 527 7.076 7.054 -4.618 143 HA ILE 527 HA ILE 527 8.460 8.364 -6.808 144 HB ILE 527 HB ILE 527 9.386 9.858 -4.718 145 HG12 ILE 527 2HG1 ILE 527 7.242 8.806 -3.537 146 HG13 ILE 527 1HG1 ILE 527 7.762 10.457 -3.216 147 HG21 ILE 527 1HG2 ILE 527 9.074 11.041 -6.631 148 HG22 ILE 527 2HG2 ILE 527 7.660 11.596 -5.736 149 HG23 ILE 527 3HG2 ILE 527 7.493 10.326 -6.948 150 HD11 ILE 527 3HD1 ILE 527 5.970 11.361 -4.278 151 HD12 ILE 527 1HD1 ILE 527 5.254 9.833 -3.764 152 HD13 ILE 527 2HD1 ILE 527 5.830 10.025 -5.420 153 H GLY 528 H GLY 528 8.578 7.012 -3.539 154 HA2 GLY 528 2HA GLY 528 11.402 6.722 -3.443 155 HA3 GLY 528 1HA GLY 528 10.242 5.912 -2.401 156 H LEU 529 H LEU 529 9.322 3.906 -3.099 157 HA LEU 529 HA LEU 529 10.642 2.650 -5.391 158 HB2 LEU 529 2HB LEU 529 10.469 1.253 -2.733 159 HB3 LEU 529 1HB LEU 529 11.347 0.744 -4.162 160 HG LEU 529 HG LEU 529 12.052 3.242 -2.635 161 HD11 LEU 529 1HD1 LEU 529 13.502 2.093 -1.278 162 HD12 LEU 529 2HD1 LEU 529 13.594 0.706 -2.364 163 HD13 LEU 529 3HD1 LEU 529 12.157 0.955 -1.371 164 HD21 LEU 529 3HD2 LEU 529 12.782 2.760 -5.075 165 HD22 LEU 529 1HD2 LEU 529 13.875 1.591 -4.335 166 HD23 LEU 529 2HD2 LEU 529 13.986 3.297 -3.904 167 H ALA 530 H ALA 530 9.595 0.006 -4.426 168 HA ALA 530 HA ALA 530 7.508 -1.087 -4.117 169 HB1 ALA 530 1HB ALA 530 5.430 -0.119 -4.628 170 HB2 ALA 530 2HB ALA 530 6.160 1.109 -5.663 171 HB3 ALA 530 3HB ALA 530 6.366 1.195 -3.914 172 H TRP 531 H TRP 531 8.302 0.740 -6.994 173 HA TRP 531 HA TRP 531 7.342 -1.199 -8.865 174 HB2 TRP 531 2HB TRP 531 9.044 0.235 -10.360 175 HB3 TRP 531 1HB TRP 531 7.465 0.859 -9.894 176 HD1 TRP 531 HD TRP 531 10.977 0.871 -8.241 177 HE1 TRP 531 1HE TRP 531 11.370 3.209 -7.262 178 HE3 TRP 531 3HE TRP 531 6.561 3.065 -9.582 179 HZ2 TRP 531 2HZ TRP 531 9.998 5.676 -7.087 180 HZ3 TRP 531 3HZ TRP 531 6.176 5.416 -8.969 181 HH2 TRP 531 HH TRP 531 7.858 6.695 -7.743 182 H ILE 532 H ILE 532 10.244 -0.699 -7.068 183 HA ILE 532 HA ILE 532 11.723 -2.675 -8.645 184 HB ILE 532 HB ILE 532 12.949 -0.661 -8.283 185 HG12 ILE 532 2HG1 ILE 532 13.937 -2.727 -6.303 186 HG13 ILE 532 1HG1 ILE 532 14.257 -2.735 -8.038 187 HG21 ILE 532 1HG2 ILE 532 11.733 -0.800 -5.628 188 HG22 ILE 532 2HG2 ILE 532 12.236 0.598 -6.578 189 HG23 ILE 532 3HG2 ILE 532 13.421 -0.292 -5.624 190 HD11 ILE 532 3HD1 ILE 532 15.806 -1.574 -6.068 191 HD12 ILE 532 1HD1 ILE 532 14.975 -0.217 -6.830 192 HD13 ILE 532 2HD1 ILE 532 15.945 -1.320 -7.808 193 HA PRO 533 HA PRO 533 10.289 -5.272 -5.111 194 HB2 PRO 533 2HB PRO 533 10.430 -7.613 -6.493 195 HB3 PRO 533 1HB PRO 533 9.022 -6.545 -6.544 196 HG2 PRO 533 2HG PRO 533 11.272 -6.810 -8.501 197 HG3 PRO 533 1HG PRO 533 9.532 -6.660 -8.811 198 HD2 PRO 533 2HD PRO 533 11.218 -4.565 -9.041 199 HD3 PRO 533 1HD PRO 533 9.544 -4.374 -8.485 200 H TYR 534 H TYR 534 12.401 -4.646 -4.204 201 HA TYR 534 HA TYR 534 14.549 -6.557 -4.785 202 HB2 TYR 534 2HB TYR 534 15.140 -4.184 -4.976 203 HB3 TYR 534 1HB TYR 534 14.634 -3.916 -3.312 204 HD1 TYR 534 2HD TYR 534 16.358 -7.017 -4.069 205 HD2 TYR 534 1HD TYR 534 16.874 -2.970 -2.872 206 HE1 TYR 534 2HE TYR 534 18.636 -7.544 -3.298 207 HE2 TYR 534 1HE TYR 534 19.153 -3.482 -2.099 208 HH TYR 534 HH TYR 534 20.306 -6.678 -1.762 209 H PHE 535 H PHE 535 12.996 -4.961 -1.992 210 HA PHE 535 HA PHE 535 13.649 -7.358 -0.406 211 HB2 PHE 535 2HB PHE 535 13.364 -5.556 1.543 212 HB3 PHE 535 1HB PHE 535 14.906 -5.841 0.748 213 HD1 PHE 535 1HD PHE 535 15.278 -4.346 -1.421 214 HD2 PHE 535 2HD PHE 535 12.660 -3.397 1.796 215 HE1 PHE 535 1HE PHE 535 15.393 -1.967 -2.036 216 HE2 PHE 535 2HE PHE 535 12.771 -1.016 1.187 217 HZ PHE 535 HZ PHE 535 14.140 -0.300 -0.729 218 H GLY 536 H GLY 536 11.303 -4.780 -0.970 219 HA2 GLY 536 2HA GLY 536 9.032 -4.717 -0.680 220 HA3 GLY 536 1HA GLY 536 9.081 -6.469 -0.662 221 HA PRO 537 HA PRO 537 7.476 -6.104 3.474 222 HB2 PRO 537 2HB PRO 537 8.025 -8.670 4.281 223 HB3 PRO 537 1HB PRO 537 6.629 -8.208 3.301 224 HG2 PRO 537 2HG PRO 537 9.256 -9.352 2.436 225 HG3 PRO 537 1HG PRO 537 7.620 -9.764 1.887 226 HD2 PRO 537 2HD PRO 537 9.220 -8.190 0.428 227 HD3 PRO 537 1HD PRO 537 7.473 -7.892 0.524 228 H ALA 538 H ALA 538 10.737 -6.404 2.729 229 HA ALA 538 HA ALA 538 11.742 -6.946 5.351 230 HB1 ALA 538 1HB ALA 538 13.743 -7.087 4.357 231 HB2 ALA 538 2HB ALA 538 13.552 -5.533 3.543 232 HB3 ALA 538 3HB ALA 538 12.840 -6.988 2.846 233 H ALA 539 H ALA 539 11.136 -4.064 3.417 234 HA ALA 539 HA ALA 539 12.290 -2.202 5.222 235 HB1 ALA 539 1HB ALA 539 10.568 -0.658 3.940 236 HB2 ALA 539 2HB ALA 539 10.468 -2.059 2.876 237 HB3 ALA 539 3HB ALA 539 12.021 -1.269 3.146 238 H GLU 540 H GLU 540 9.163 -3.660 4.831 239 HA GLU 540 HA GLU 540 7.147 -2.754 5.900 240 HB2 GLU 540 2HB GLU 540 6.751 -4.566 7.400 241 HB3 GLU 540 1HB GLU 540 7.736 -5.152 6.065 242 HG2 GLU 540 2HG GLU 540 9.250 -5.903 7.483 243 HG3 GLU 540 1HG GLU 540 9.478 -4.281 8.133 244 H GLY 541 H GLY 541 7.838 -0.533 6.548 245 HA2 GLY 541 2HA GLY 541 7.070 0.359 8.860 246 HA3 GLY 541 1HA GLY 541 8.599 -0.334 9.370 247 H ILE 542 H ILE 542 9.415 0.619 6.439 248 HA ILE 542 HA ILE 542 10.324 3.226 7.412 249 HB ILE 542 HB ILE 542 11.258 1.819 4.918 250 HG12 ILE 542 2HG1 ILE 542 13.020 1.746 7.268 251 HG13 ILE 542 1HG1 ILE 542 11.552 0.790 7.447 252 HG21 ILE 542 1HG2 ILE 542 11.729 4.223 5.089 253 HG22 ILE 542 2HG2 ILE 542 13.201 3.253 5.136 254 HG23 ILE 542 3HG2 ILE 542 12.552 3.941 6.624 255 HD11 ILE 542 3HD1 ILE 542 12.794 -0.796 6.473 256 HD12 ILE 542 1HD1 ILE 542 13.887 0.368 5.723 257 HD13 ILE 542 2HD1 ILE 542 12.318 0.030 4.990 258 H TYR 543 H TYR 543 8.498 1.722 4.810 259 HA TYR 543 HA TYR 543 6.886 3.897 4.300 260 HB2 TYR 543 2HB TYR 543 8.034 4.437 1.929 261 HB3 TYR 543 1HB TYR 543 8.375 5.353 3.390 262 HD1 TYR 543 2HD TYR 543 9.647 1.940 2.713 263 HD2 TYR 543 1HD TYR 543 10.554 6.096 2.817 264 HE1 TYR 543 2HE TYR 543 12.038 1.418 2.483 265 HE2 TYR 543 1HE TYR 543 12.948 5.584 2.586 266 HH TYR 543 HH TYR 543 14.191 2.411 2.923 267 H ILE 544 H ILE 544 8.332 2.626 1.405 268 HA ILE 544 HA ILE 544 6.005 1.643 0.321 269 HB ILE 544 HB ILE 544 8.701 0.445 -0.271 270 HG12 ILE 544 2HG1 ILE 544 8.229 2.521 -2.090 271 HG13 ILE 544 1HG1 ILE 544 7.838 3.204 -0.513 272 HG21 ILE 544 1HG2 ILE 544 6.267 0.939 -1.978 273 HG22 ILE 544 2HG2 ILE 544 6.801 -0.619 -1.347 274 HG23 ILE 544 3HG2 ILE 544 7.788 0.238 -2.529 275 HD11 ILE 544 3HD1 ILE 544 10.338 3.020 -1.634 276 HD12 ILE 544 1HD1 ILE 544 10.310 1.688 -0.480 277 HD13 ILE 544 2HD1 ILE 544 9.977 3.331 0.064 278 H GLU 545 H GLU 545 8.629 -0.484 1.455 279 HA GLU 545 HA GLU 545 8.594 -2.508 2.496 280 HB2 GLU 545 2HB GLU 545 5.662 -2.106 3.060 281 HB3 GLU 545 1HB GLU 545 6.837 -3.034 3.986 282 HG2 GLU 545 2HG GLU 545 7.829 -1.106 4.867 283 HG3 GLU 545 1HG GLU 545 7.061 -0.061 3.675 284 H GLY 546 H GLY 546 5.709 -3.906 2.401 285 HA2 GLY 546 2HA GLY 546 6.221 -5.113 -0.228 286 HA3 GLY 546 1HA GLY 546 5.344 -5.874 1.092 287 H LEU 547 H LEU 547 4.801 -2.568 0.248 288 HA LEU 547 HA LEU 547 2.099 -3.270 -0.637 289 HB2 LEU 547 2HB LEU 547 1.384 -1.197 0.120 290 HB3 LEU 547 1HB LEU 547 2.619 -1.625 1.297 291 HG LEU 547 HG LEU 547 4.174 -0.313 -0.357 292 HD11 LEU 547 1HD1 LEU 547 3.235 1.094 -1.827 293 HD12 LEU 547 2HD1 LEU 547 1.917 1.517 -0.734 294 HD13 LEU 547 3HD1 LEU 547 1.831 0.035 -1.688 295 HD21 LEU 547 3HD2 LEU 547 2.542 1.572 1.201 296 HD22 LEU 547 1HD2 LEU 547 4.275 1.245 1.266 297 HD23 LEU 547 2HD2 LEU 547 3.144 0.178 2.099 298 H MET 548 H MET 548 1.677 -3.191 -2.684 299 HA MET 548 HA MET 548 2.976 -1.233 -4.419 300 HB2 MET 548 2HB MET 548 2.735 -4.158 -5.113 301 HB3 MET 548 1HB MET 548 3.405 -2.896 -6.137 302 HG2 MET 548 2HG MET 548 5.402 -3.185 -5.245 303 HG3 MET 548 1HG MET 548 4.766 -2.857 -3.639 304 HE1 MET 548 3HE MET 548 3.196 -4.641 -2.522 305 HE2 MET 548 1HE MET 548 3.614 -6.353 -2.449 306 HE3 MET 548 2HE MET 548 2.625 -5.742 -3.776 307 H HIS 549 H HIS 549 0.178 -2.315 -3.257 308 HA HIS 549 HA HIS 549 -1.303 -2.262 -5.774 309 HB2 HIS 549 2HB HIS 549 -2.518 -2.615 -3.043 310 HB3 HIS 549 1HB HIS 549 -3.140 -3.154 -4.598 311 HD1 HIS 549 1HD HIS 549 -0.778 -4.735 -5.674 312 HD2 HIS 549 2HD HIS 549 -2.059 -4.940 -1.727 313 HE1 HIS 549 1HE HIS 549 0.060 -6.941 -4.808 314 HE2 HIS 549 2HE HIS 549 -0.802 -7.082 -2.445 315 H ASN 550 H ASN 550 -0.312 -0.192 -3.298 316 HA ASN 550 HA ASN 550 -0.677 2.021 -2.910 317 HB2 ASN 550 2HB ASN 550 -2.332 1.758 -5.419 318 HB3 ASN 550 1HB ASN 550 -2.197 3.275 -4.538 319 HD21 ASN 550 1HD2 ASN 550 -0.004 0.695 -5.627 320 HD22 ASN 550 2HD2 ASN 550 1.182 1.757 -6.292 321 H GLN 551 H GLN 551 -3.529 0.028 -3.438 322 HA GLN 551 HA GLN 551 -5.267 -0.350 -2.014 323 HB2 GLN 551 2HB GLN 551 -4.556 2.140 -0.484 324 HB3 GLN 551 1HB GLN 551 -5.573 0.800 0.025 325 HG2 GLN 551 2HG GLN 551 -3.323 -0.538 -0.449 326 HG3 GLN 551 1HG GLN 551 -2.639 1.030 -0.021 327 HE21 GLN 551 1HE2 GLN 551 -3.293 1.953 2.039 328 HE22 GLN 551 2HE2 GLN 551 -3.661 0.899 3.357 329 H ASP 552 H ASP 552 -7.197 -0.050 -2.664 330 HA ASP 552 HA ASP 552 -8.353 2.554 -3.093 331 HB2 ASP 552 2HB ASP 552 -7.231 1.076 -5.301 332 HB3 ASP 552 1HB ASP 552 -8.970 1.245 -5.509 333 H GLY 553 H GLY 553 -9.269 1.070 -1.203 334 HA2 GLY 553 2HA GLY 553 -11.239 0.190 -0.401 335 HA3 GLY 553 1HA GLY 553 -11.903 0.338 -2.020 336 H LEU 554 H LEU 554 -9.296 -1.560 -0.505 337 HA LEU 554 HA LEU 554 -10.349 -3.937 -1.879 338 HB2 LEU 554 2HB LEU 554 -7.589 -3.559 -0.732 339 HB3 LEU 554 1HB LEU 554 -8.136 -4.861 -1.774 340 HG LEU 554 HG LEU 554 -7.697 -1.976 -2.531 341 HD11 LEU 554 1HD1 LEU 554 -6.497 -4.405 -3.809 342 HD12 LEU 554 2HD1 LEU 554 -5.784 -3.685 -2.365 343 HD13 LEU 554 3HD1 LEU 554 -5.933 -2.734 -3.843 344 HD21 LEU 554 3HD2 LEU 554 -8.316 -2.857 -4.854 345 HD22 LEU 554 1HD2 LEU 554 -9.632 -2.527 -3.727 346 HD23 LEU 554 2HD2 LEU 554 -9.100 -4.186 -3.999 347 H ILE 555 H ILE 555 -9.411 -2.608 1.207 348 HA ILE 555 HA ILE 555 -10.088 -5.149 2.518 349 HB ILE 555 HB ILE 555 -9.142 -3.520 4.532 350 HG12 ILE 555 2HG1 ILE 555 -8.412 -1.917 2.697 351 HG13 ILE 555 1HG1 ILE 555 -7.162 -2.425 3.823 352 HG21 ILE 555 1HG2 ILE 555 -7.725 -5.569 2.848 353 HG22 ILE 555 2HG2 ILE 555 -8.604 -5.829 4.355 354 HG23 ILE 555 3HG2 ILE 555 -7.087 -4.929 4.362 355 HD11 ILE 555 3HD1 ILE 555 -6.012 -3.563 2.242 356 HD12 ILE 555 1HD1 ILE 555 -6.792 -2.376 1.199 357 HD13 ILE 555 2HD1 ILE 555 -7.461 -4.001 1.338 358 H CYS 556 H CYS 556 -11.015 -1.818 2.197 359 HA CYS 556 HA CYS 556 -12.785 -1.792 4.443 360 HB2 CYS 556 2HB CYS 556 -11.638 0.183 3.071 361 HB3 CYS 556 1HB CYS 556 -13.144 0.110 2.172 362 H GLY 557 H GLY 557 -12.922 -3.314 1.525 363 HA2 GLY 557 2HA GLY 557 -15.674 -4.006 1.873 364 HA3 GLY 557 1HA GLY 557 -15.390 -3.014 0.444 365 H LEU 558 H LEU 558 -15.421 -4.309 -1.259 366 HA LEU 558 HA LEU 558 -13.484 -6.454 -1.393 367 HB2 LEU 558 2HB LEU 558 -16.145 -7.288 -2.345 368 HB3 LEU 558 1HB LEU 558 -14.880 -8.223 -1.575 369 HG LEU 558 HG LEU 558 -16.544 -6.292 0.013 370 HD11 LEU 558 1HD1 LEU 558 -18.178 -7.912 0.450 371 HD12 LEU 558 2HD1 LEU 558 -17.235 -9.194 -0.311 372 HD13 LEU 558 3HD1 LEU 558 -17.969 -7.932 -1.302 373 HD21 LEU 558 3HD2 LEU 558 -14.367 -7.962 0.599 374 HD22 LEU 558 1HD2 LEU 558 -15.780 -8.740 1.312 375 HD23 LEU 558 2HD2 LEU 558 -15.377 -7.075 1.739 376 H ARG 559 H ARG 559 -15.980 -4.524 -2.946 377 HA ARG 559 HA ARG 559 -14.398 -4.570 -5.411 378 HB2 ARG 559 2HB ARG 559 -16.701 -4.518 -6.612 379 HB3 ARG 559 1HB ARG 559 -16.053 -6.059 -6.067 380 HG2 ARG 559 2HG ARG 559 -17.636 -6.315 -4.458 381 HG3 ARG 559 1HG ARG 559 -17.811 -4.579 -4.196 382 HD2 ARG 559 2HD ARG 559 -18.672 -4.931 -6.791 383 HD3 ARG 559 1HD ARG 559 -19.280 -6.362 -5.961 384 HE ARG 559 HE ARG 559 -19.918 -4.230 -4.341 385 HH11 ARG 559 1HH1 ARG 559 -20.618 -5.209 -7.616 386 HH12 ARG 559 2HH1 ARG 559 -22.162 -4.425 -7.653 387 HH21 ARG 559 1HH2 ARG 559 -21.949 -3.197 -4.388 388 HH22 ARG 559 2HH2 ARG 559 -22.917 -3.282 -5.822 389 H GLN 560 H GLN 560 -14.412 -2.603 -3.419 390 HA GLN 560 HA GLN 560 -16.126 -0.491 -3.561 391 HB2 GLN 560 2HB GLN 560 -13.111 -0.415 -3.375 392 HB3 GLN 560 1HB GLN 560 -14.136 0.984 -3.101 393 HG2 GLN 560 2HG GLN 560 -13.721 -1.428 -1.414 394 HG3 GLN 560 1HG GLN 560 -13.766 0.275 -0.959 395 HE21 GLN 560 1HE2 GLN 560 -15.722 -2.489 -1.880 396 HE22 GLN 560 2HE2 GLN 560 -17.185 -1.944 -1.141 Start of MODEL 14 1 H1 ALA 507 1HT ALA 507 -8.640 -9.018 -1.279 2 H2 ALA 507 2HT ALA 507 -9.586 -7.586 -1.303 3 H3 ALA 507 3HT ALA 507 -9.862 -8.820 -2.464 4 HA ALA 507 HA ALA 507 -11.453 -8.637 -0.565 5 HB1 ALA 507 2HB ALA 507 -11.723 -10.534 -1.829 6 HB2 ALA 507 3HB ALA 507 -11.288 -11.234 -0.270 7 HB3 ALA 507 1HB ALA 507 -10.074 -11.093 -1.541 8 H GLN 508 H GLN 508 -11.258 -7.905 1.454 9 HA GLN 508 HA GLN 508 -10.276 -9.502 3.528 10 HB2 GLN 508 2HB GLN 508 -8.410 -7.823 4.222 11 HB3 GLN 508 1HB GLN 508 -8.054 -9.076 3.042 12 HG2 GLN 508 2HG GLN 508 -8.757 -7.189 1.336 13 HG3 GLN 508 1HG GLN 508 -8.308 -6.142 2.679 14 HE21 GLN 508 1HE2 GLN 508 -7.188 -7.485 -0.055 15 HE22 GLN 508 2HE2 GLN 508 -5.499 -7.551 0.303 16 HA PRO 509 HA PRO 509 -12.889 -6.385 5.408 17 HB2 PRO 509 2HB PRO 509 -13.617 -7.730 7.533 18 HB3 PRO 509 1HB PRO 509 -14.014 -8.393 5.936 19 HG2 PRO 509 2HG PRO 509 -11.702 -9.067 7.730 20 HG3 PRO 509 1HG PRO 509 -12.848 -10.181 6.952 21 HD2 PRO 509 2HD PRO 509 -10.383 -9.555 5.917 22 HD3 PRO 509 1HD PRO 509 -11.769 -10.042 4.919 23 H LYS 510 H LYS 510 -11.203 -4.868 5.809 24 HA LYS 510 HA LYS 510 -10.456 -4.721 8.614 25 HB2 LYS 510 2HB LYS 510 -8.591 -5.084 6.398 26 HB3 LYS 510 1HB LYS 510 -8.161 -3.781 7.498 27 HG2 LYS 510 2HG LYS 510 -7.942 -5.228 9.306 28 HG3 LYS 510 1HG LYS 510 -8.879 -6.498 8.515 29 HD2 LYS 510 2HD LYS 510 -6.508 -5.746 7.003 30 HD3 LYS 510 1HD LYS 510 -6.123 -6.330 8.624 31 HE2 LYS 510 2HE LYS 510 -7.963 -7.797 6.749 32 HE3 LYS 510 1HE LYS 510 -6.223 -8.077 6.793 33 HZ1 LYS 510 3HZ LYS 510 -6.337 -8.940 8.930 34 HZ2 LYS 510 1HZ LYS 510 -7.721 -9.576 8.192 35 HZ3 LYS 510 2HZ LYS 510 -7.854 -8.261 9.247 36 H CYS 511 H CYS 511 -10.624 -3.099 5.533 37 HA CYS 511 HA CYS 511 -11.273 -1.011 4.967 38 HB2 CYS 511 2HB CYS 511 -12.238 -1.205 7.714 39 HB3 CYS 511 1HB CYS 511 -11.885 0.442 7.209 40 H ASN 512 H ASN 512 -8.677 -1.518 5.102 41 HA ASN 512 HA ASN 512 -7.639 1.082 5.969 42 HB2 ASN 512 2HB ASN 512 -6.840 -0.581 7.567 43 HB3 ASN 512 1HB ASN 512 -6.195 -1.557 6.253 44 HD21 ASN 512 1HD2 ASN 512 -5.897 1.852 5.883 45 HD22 ASN 512 2HD2 ASN 512 -4.223 1.965 6.287 46 HA PRO 513 HA PRO 513 -6.251 -0.113 1.618 47 HB2 PRO 513 2HB PRO 513 -8.271 0.344 -0.016 48 HB3 PRO 513 1HB PRO 513 -8.267 -1.114 0.982 49 HG2 PRO 513 2HG PRO 513 -9.724 1.470 1.437 50 HG3 PRO 513 1HG PRO 513 -10.328 -0.186 1.582 51 HD2 PRO 513 2HD PRO 513 -9.420 1.348 3.698 52 HD3 PRO 513 1HD PRO 513 -9.501 -0.424 3.688 53 H ASN 514 H ASN 514 -8.470 2.109 0.306 54 HA ASN 514 HA ASN 514 -6.428 4.046 -0.101 55 HB2 ASN 514 2HB ASN 514 -8.050 5.206 -1.454 56 HB3 ASN 514 1HB ASN 514 -8.171 3.478 -1.778 57 HD21 ASN 514 1HD2 ASN 514 -10.218 3.119 -2.264 58 HD22 ASN 514 2HD2 ASN 514 -11.581 3.615 -1.325 59 H LEU 515 H LEU 515 -8.029 3.475 2.627 60 HA LEU 515 HA LEU 515 -8.549 6.283 3.270 61 HB2 LEU 515 2HB LEU 515 -9.241 3.755 4.775 62 HB3 LEU 515 1HB LEU 515 -9.628 5.378 5.313 63 HG LEU 515 HG LEU 515 -11.629 4.663 4.385 64 HD11 LEU 515 1HD1 LEU 515 -10.139 6.052 2.161 65 HD12 LEU 515 2HD1 LEU 515 -11.071 6.809 3.453 66 HD13 LEU 515 3HD1 LEU 515 -11.890 5.844 2.224 67 HD21 LEU 515 3HD2 LEU 515 -11.240 3.688 1.830 68 HD22 LEU 515 1HD2 LEU 515 -11.563 2.726 3.272 69 HD23 LEU 515 2HD2 LEU 515 -9.901 2.995 2.745 70 H HIS 516 H HIS 516 -5.930 5.497 2.882 71 HA HIS 516 HA HIS 516 -4.603 6.547 5.069 72 HB2 HIS 516 2HB HIS 516 -5.401 4.027 5.752 73 HB3 HIS 516 1HB HIS 516 -3.804 3.706 5.085 74 HD1 HIS 516 1HD HIS 516 -4.422 3.312 8.090 75 HD2 HIS 516 2HD HIS 516 -2.766 6.755 6.457 76 HE1 HIS 516 1HE HIS 516 -3.201 4.433 9.981 77 HE2 HIS 516 2HE HIS 516 -2.277 6.557 8.988 78 H TYR 517 H TYR 517 -4.564 4.413 2.317 79 HA TYR 517 HA TYR 517 -2.021 3.998 1.610 80 HB2 TYR 517 2HB TYR 517 -2.702 3.942 -0.652 81 HB3 TYR 517 1HB TYR 517 -4.145 3.559 0.270 82 HD1 TYR 517 1HD TYR 517 -5.519 5.822 0.944 83 HD2 TYR 517 2HD TYR 517 -3.017 5.331 -2.458 84 HE1 TYR 517 1HE TYR 517 -6.746 7.616 -0.207 85 HE2 TYR 517 2HE TYR 517 -4.229 7.128 -3.617 86 HH TYR 517 HH TYR 517 -6.236 9.278 -2.087 87 H TRP 518 H TRP 518 -3.651 7.113 1.186 88 HA TRP 518 HA TRP 518 -1.521 8.502 -0.020 89 HB2 TRP 518 2HB TRP 518 -2.799 10.534 0.930 90 HB3 TRP 518 1HB TRP 518 -3.666 9.486 -0.194 91 HD1 TRP 518 HD TRP 518 -3.238 8.246 3.357 92 HE1 TRP 518 1HE TRP 518 -5.506 8.267 4.549 93 HE3 TRP 518 3HE TRP 518 -5.947 10.790 -0.142 94 HZ2 TRP 518 2HZ TRP 518 -8.120 9.248 4.072 95 HZ3 TRP 518 3HZ TRP 518 -8.328 11.232 0.300 96 HH2 TRP 518 HH TRP 518 -9.391 10.474 2.364 97 H THR 519 H THR 519 0.302 7.783 1.286 98 HA THR 519 HA THR 519 0.943 9.675 3.338 99 HB THR 519 HB THR 519 -0.293 8.257 4.760 100 HG1 THR 519 1HG THR 519 1.707 8.755 5.655 101 HG21 THR 519 3HG2 THR 519 1.163 5.768 4.249 102 HG22 THR 519 1HG2 THR 519 0.015 6.264 3.006 103 HG23 THR 519 2HG2 THR 519 -0.529 6.040 4.670 104 H THR 520 H THR 520 1.810 6.415 2.249 105 HA THR 520 HA THR 520 4.517 7.403 1.699 106 HB THR 520 HB THR 520 4.336 5.947 3.791 107 HG1 THR 520 1HG THR 520 6.324 6.198 2.889 108 HG21 THR 520 3HG2 THR 520 4.266 3.631 1.901 109 HG22 THR 520 1HG2 THR 520 2.791 4.255 2.643 110 HG23 THR 520 2HG2 THR 520 4.101 3.645 3.657 111 H GLN 521 H GLN 521 1.724 6.167 0.468 112 HA GLN 521 HA GLN 521 3.038 4.640 -1.625 113 HB2 GLN 521 2HB GLN 521 1.037 3.586 -2.060 114 HB3 GLN 521 1HB GLN 521 0.869 3.913 -0.343 115 HG2 GLN 521 2HG GLN 521 -1.164 4.569 -1.134 116 HG3 GLN 521 1HG GLN 521 -0.285 6.093 -1.153 117 HE21 GLN 521 1HE2 GLN 521 -0.490 7.225 -2.901 118 HE22 GLN 521 2HE2 GLN 521 -0.837 6.633 -4.486 119 H ASP 522 H ASP 522 1.706 7.698 -0.996 120 HA ASP 522 HA ASP 522 1.686 8.371 -3.858 121 HB2 ASP 522 2HB ASP 522 -0.239 8.882 -1.854 122 HB3 ASP 522 1HB ASP 522 0.505 10.431 -2.235 123 H GLU 523 H GLU 523 3.552 8.465 -1.269 124 HA GLU 523 HA GLU 523 4.987 10.875 -2.127 125 HB2 GLU 523 2HB GLU 523 5.094 10.145 0.749 126 HB3 GLU 523 1HB GLU 523 5.148 11.732 -0.010 127 HG2 GLU 523 2HG GLU 523 2.653 11.177 -0.592 128 HG3 GLU 523 1HG GLU 523 2.805 10.083 0.785 129 H GLY 524 H GLY 524 4.921 7.617 -1.131 130 HA2 GLY 524 2HA GLY 524 7.853 7.457 -1.303 131 HA3 GLY 524 1HA GLY 524 6.886 6.418 -0.261 132 H ALA 525 H ALA 525 4.741 6.066 -2.191 133 HA ALA 525 HA ALA 525 6.087 4.101 -3.890 134 HB1 ALA 525 1HB ALA 525 4.183 3.419 -2.398 135 HB2 ALA 525 2HB ALA 525 3.992 2.988 -4.099 136 HB3 ALA 525 3HB ALA 525 3.125 4.372 -3.436 137 H ALA 526 H ALA 526 5.770 7.075 -4.262 138 HA ALA 526 HA ALA 526 4.960 6.966 -7.077 139 HB1 ALA 526 1HB ALA 526 3.091 7.995 -6.090 140 HB2 ALA 526 2HB ALA 526 4.055 9.325 -6.733 141 HB3 ALA 526 3HB ALA 526 4.095 8.962 -5.007 142 H ILE 527 H ILE 527 7.332 7.607 -4.871 143 HA ILE 527 HA ILE 527 8.932 9.039 -6.803 144 HB ILE 527 HB ILE 527 9.595 10.462 -4.582 145 HG12 ILE 527 2HG1 ILE 527 7.325 9.345 -3.688 146 HG13 ILE 527 1HG1 ILE 527 7.841 10.956 -3.208 147 HG21 ILE 527 1HG2 ILE 527 8.466 12.351 -5.653 148 HG22 ILE 527 2HG2 ILE 527 7.570 11.229 -6.676 149 HG23 ILE 527 3HG2 ILE 527 9.323 11.349 -6.825 150 HD11 ILE 527 3HD1 ILE 527 5.392 10.499 -3.988 151 HD12 ILE 527 1HD1 ILE 527 6.094 10.656 -5.599 152 HD13 ILE 527 2HD1 ILE 527 6.219 11.987 -4.450 153 H GLY 528 H GLY 528 8.700 7.665 -3.533 154 HA2 GLY 528 2HA GLY 528 11.515 7.305 -3.214 155 HA3 GLY 528 1HA GLY 528 10.257 6.596 -2.214 156 H LEU 529 H LEU 529 9.977 4.450 -2.335 157 HA LEU 529 HA LEU 529 11.182 3.068 -4.647 158 HB2 LEU 529 2HB LEU 529 10.735 1.858 -1.933 159 HB3 LEU 529 1HB LEU 529 11.728 1.237 -3.235 160 HG LEU 529 HG LEU 529 12.304 3.629 -1.493 161 HD11 LEU 529 1HD1 LEU 529 14.023 2.379 -0.569 162 HD12 LEU 529 2HD1 LEU 529 14.044 1.230 -1.907 163 HD13 LEU 529 3HD1 LEU 529 12.726 1.197 -0.736 164 HD21 LEU 529 3HD2 LEU 529 13.346 2.856 -4.144 165 HD22 LEU 529 1HD2 LEU 529 14.547 3.308 -2.934 166 HD23 LEU 529 2HD2 LEU 529 13.266 4.440 -3.370 167 H ALA 530 H ALA 530 10.032 0.501 -3.726 168 HA ALA 530 HA ALA 530 7.928 -0.578 -3.526 169 HB1 ALA 530 1HB ALA 530 6.810 1.721 -3.403 170 HB2 ALA 530 2HB ALA 530 5.892 0.395 -4.112 171 HB3 ALA 530 3HB ALA 530 6.658 1.594 -5.155 172 H TRP 531 H TRP 531 9.504 0.839 -6.193 173 HA TRP 531 HA TRP 531 8.330 -1.021 -8.117 174 HB2 TRP 531 2HB TRP 531 10.203 0.354 -9.543 175 HB3 TRP 531 1HB TRP 531 8.538 0.884 -9.339 176 HD1 TRP 531 HD TRP 531 11.814 1.308 -7.302 177 HE1 TRP 531 1HE TRP 531 11.902 3.726 -6.463 178 HE3 TRP 531 3HE TRP 531 7.413 3.000 -9.265 179 HZ2 TRP 531 2HZ TRP 531 10.322 6.078 -6.636 180 HZ3 TRP 531 3HZ TRP 531 6.774 5.346 -8.886 181 HH2 TRP 531 HH TRP 531 8.198 6.851 -7.596 182 H ILE 532 H ILE 532 10.277 -1.646 -5.842 183 HA ILE 532 HA ILE 532 12.243 -3.074 -7.509 184 HB ILE 532 HB ILE 532 13.965 -2.765 -5.949 185 HG12 ILE 532 2HG1 ILE 532 12.692 -3.243 -3.902 186 HG13 ILE 532 1HG1 ILE 532 13.675 -1.795 -3.718 187 HG21 ILE 532 1HG2 ILE 532 13.711 -0.770 -7.200 188 HG22 ILE 532 2HG2 ILE 532 14.013 -0.284 -5.531 189 HG23 ILE 532 3HG2 ILE 532 12.376 -0.220 -6.185 190 HD11 ILE 532 3HD1 ILE 532 11.765 -1.005 -2.828 191 HD12 ILE 532 1HD1 ILE 532 10.745 -2.109 -3.752 192 HD13 ILE 532 2HD1 ILE 532 11.399 -0.663 -4.520 193 HA PRO 533 HA PRO 533 10.522 -6.635 -5.466 194 HB2 PRO 533 2HB PRO 533 12.078 -8.525 -6.538 195 HB3 PRO 533 1HB PRO 533 10.917 -7.627 -7.524 196 HG2 PRO 533 2HG PRO 533 13.874 -7.260 -7.275 197 HG3 PRO 533 1HG PRO 533 12.856 -7.197 -8.725 198 HD2 PRO 533 2HD PRO 533 13.748 -4.982 -7.334 199 HD3 PRO 533 1HD PRO 533 12.322 -5.003 -8.388 200 H TYR 534 H TYR 534 12.029 -5.224 -3.672 201 HA TYR 534 HA TYR 534 13.436 -7.366 -2.276 202 HB2 TYR 534 2HB TYR 534 15.273 -6.285 -3.304 203 HB3 TYR 534 1HB TYR 534 14.609 -4.687 -2.989 204 HD1 TYR 534 2HD TYR 534 15.948 -7.690 -1.235 205 HD2 TYR 534 1HD TYR 534 15.311 -3.490 -1.138 206 HE1 TYR 534 2HE TYR 534 17.279 -7.545 0.830 207 HE2 TYR 534 1HE TYR 534 16.638 -3.327 0.929 208 HH TYR 534 HH TYR 534 17.305 -4.821 2.811 209 H PHE 535 H PHE 535 11.930 -4.183 -2.204 210 HA PHE 535 HA PHE 535 11.899 -4.100 0.688 211 HB2 PHE 535 2HB PHE 535 10.903 -2.270 -1.478 212 HB3 PHE 535 1HB PHE 535 10.426 -2.028 0.198 213 HD1 PHE 535 1HD PHE 535 13.451 -2.463 -1.912 214 HD2 PHE 535 2HD PHE 535 11.749 -0.740 1.580 215 HE1 PHE 535 1HE PHE 535 15.538 -1.231 -1.516 216 HE2 PHE 535 2HE PHE 535 13.839 0.489 1.994 217 HZ PHE 535 HZ PHE 535 15.734 0.243 0.450 218 H GLY 536 H GLY 536 10.398 -6.203 -0.962 219 HA2 GLY 536 2HA GLY 536 7.646 -5.792 -0.815 220 HA3 GLY 536 1HA GLY 536 8.431 -7.362 -0.752 221 HA PRO 537 HA PRO 537 6.795 -7.380 3.402 222 HB2 PRO 537 2HB PRO 537 7.380 -9.899 4.046 223 HB3 PRO 537 1HB PRO 537 6.167 -9.533 2.813 224 HG2 PRO 537 2HG PRO 537 9.000 -10.420 2.480 225 HG3 PRO 537 1HG PRO 537 7.560 -10.900 1.566 226 HD2 PRO 537 2HD PRO 537 9.415 -9.000 0.750 227 HD3 PRO 537 1HD PRO 537 7.758 -9.141 0.133 228 H ALA 538 H ALA 538 10.053 -7.400 2.566 229 HA ALA 538 HA ALA 538 11.040 -7.867 5.262 230 HB1 ALA 538 1HB ALA 538 13.153 -8.027 4.361 231 HB2 ALA 538 2HB ALA 538 12.776 -6.955 3.012 232 HB3 ALA 538 3HB ALA 538 12.152 -8.606 3.029 233 H ALA 539 H ALA 539 10.282 -5.216 3.154 234 HA ALA 539 HA ALA 539 11.664 -3.317 4.903 235 HB1 ALA 539 1HB ALA 539 10.378 -3.001 2.204 236 HB2 ALA 539 2HB ALA 539 12.099 -2.941 2.593 237 HB3 ALA 539 3HB ALA 539 11.023 -1.654 3.140 238 H GLU 540 H GLU 540 8.545 -4.514 4.145 239 HA GLU 540 HA GLU 540 6.713 -2.622 4.573 240 HB2 GLU 540 2HB GLU 540 6.905 -5.460 5.129 241 HB3 GLU 540 1HB GLU 540 5.768 -4.650 6.200 242 HG2 GLU 540 2HG GLU 540 4.877 -3.600 3.986 243 HG3 GLU 540 1HG GLU 540 5.690 -4.974 3.239 244 H GLY 541 H GLY 541 7.317 -0.885 5.895 245 HA2 GLY 541 2HA GLY 541 6.408 -0.329 8.214 246 HA3 GLY 541 1HA GLY 541 7.598 -1.493 8.763 247 H ILE 542 H ILE 542 9.047 0.024 6.225 248 HA ILE 542 HA ILE 542 10.383 1.883 8.062 249 HB ILE 542 HB ILE 542 11.348 0.966 5.358 250 HG12 ILE 542 2HG1 ILE 542 12.836 -0.032 7.633 251 HG13 ILE 542 1HG1 ILE 542 11.151 -0.542 7.710 252 HG21 ILE 542 1HG2 ILE 542 12.238 3.127 6.203 253 HG22 ILE 542 2HG2 ILE 542 13.471 1.881 6.010 254 HG23 ILE 542 3HG2 ILE 542 12.856 2.273 7.615 255 HD11 ILE 542 3HD1 ILE 542 12.011 -2.243 6.490 256 HD12 ILE 542 1HD1 ILE 542 13.260 -1.237 5.755 257 HD13 ILE 542 2HD1 ILE 542 11.594 -1.135 5.181 258 H TYR 543 H TYR 543 8.631 1.767 5.020 259 HA TYR 543 HA TYR 543 7.852 4.444 5.148 260 HB2 TYR 543 2HB TYR 543 9.298 4.937 2.866 261 HB3 TYR 543 1HB TYR 543 9.714 5.518 4.475 262 HD1 TYR 543 2HD TYR 543 10.048 2.083 3.053 263 HD2 TYR 543 1HD TYR 543 12.036 5.555 4.498 264 HE1 TYR 543 2HE TYR 543 12.198 0.908 2.902 265 HE2 TYR 543 1HE TYR 543 14.194 4.387 4.351 266 HH TYR 543 HH TYR 543 15.027 2.249 2.779 267 H ILE 544 H ILE 544 8.969 3.277 2.051 268 HA ILE 544 HA ILE 544 6.281 3.263 1.058 269 HB ILE 544 HB ILE 544 8.595 2.229 -0.525 270 HG12 ILE 544 2HG1 ILE 544 8.622 4.907 -1.079 271 HG13 ILE 544 1HG1 ILE 544 8.332 4.917 0.654 272 HG21 ILE 544 1HG2 ILE 544 6.162 3.881 -1.170 273 HG22 ILE 544 2HG2 ILE 544 6.418 2.177 -1.546 274 HG23 ILE 544 3HG2 ILE 544 7.401 3.410 -2.334 275 HD11 ILE 544 3HD1 ILE 544 10.775 4.815 -0.509 276 HD12 ILE 544 1HD1 ILE 544 10.465 3.105 -0.204 277 HD13 ILE 544 2HD1 ILE 544 10.416 4.263 1.127 278 H GLU 545 H GLU 545 8.811 0.779 0.676 279 HA GLU 545 HA GLU 545 8.729 -1.497 0.893 280 HB2 GLU 545 2HB GLU 545 5.908 -1.411 1.905 281 HB3 GLU 545 1HB GLU 545 7.216 -2.505 2.344 282 HG2 GLU 545 2HG GLU 545 7.789 -1.241 4.072 283 HG3 GLU 545 1HG GLU 545 7.890 0.197 3.069 284 H GLY 546 H GLY 546 7.231 -3.421 0.128 285 HA2 GLY 546 2HA GLY 546 6.779 -3.162 -2.585 286 HA3 GLY 546 1HA GLY 546 6.011 -4.384 -1.577 287 H LEU 547 H LEU 547 3.974 -3.937 -0.642 288 HA LEU 547 HA LEU 547 1.768 -3.380 -1.033 289 HB2 LEU 547 2HB LEU 547 1.322 -1.094 -0.272 290 HB3 LEU 547 1HB LEU 547 2.481 -1.923 0.752 291 HG LEU 547 HG LEU 547 4.308 -0.692 -0.465 292 HD11 LEU 547 1HD1 LEU 547 3.341 0.016 -2.480 293 HD12 LEU 547 2HD1 LEU 547 3.496 1.484 -1.518 294 HD13 LEU 547 3HD1 LEU 547 1.928 0.689 -1.666 295 HD21 LEU 547 3HD2 LEU 547 2.228 0.747 1.152 296 HD22 LEU 547 1HD2 LEU 547 3.758 1.494 0.691 297 HD23 LEU 547 2HD2 LEU 547 3.752 0.044 1.695 298 H MET 548 H MET 548 3.201 -3.477 -3.551 299 HA MET 548 HA MET 548 2.615 -1.199 -5.119 300 HB2 MET 548 2HB MET 548 2.867 -4.005 -6.156 301 HB3 MET 548 1HB MET 548 3.188 -2.504 -7.009 302 HG2 MET 548 2HG MET 548 5.296 -2.496 -6.339 303 HG3 MET 548 1HG MET 548 4.814 -2.662 -4.651 304 HE1 MET 548 3HE MET 548 5.179 -6.270 -3.793 305 HE2 MET 548 1HE MET 548 3.612 -5.579 -4.214 306 HE3 MET 548 2HE MET 548 4.789 -4.616 -3.322 307 H HIS 549 H HIS 549 0.317 -1.915 -3.624 308 HA HIS 549 HA HIS 549 -1.550 -2.694 -5.758 309 HB2 HIS 549 2HB HIS 549 -2.220 -2.699 -2.821 310 HB3 HIS 549 1HB HIS 549 -3.029 -3.551 -4.131 311 HD1 HIS 549 1HD HIS 549 -0.955 -4.235 -1.375 312 HD2 HIS 549 2HD HIS 549 -0.999 -5.533 -5.322 313 HE1 HIS 549 1HE HIS 549 0.357 -6.380 -1.391 314 HE2 HIS 549 2HE HIS 549 0.237 -7.194 -3.773 315 H ASN 550 H ASN 550 -0.406 -0.206 -3.786 316 HA ASN 550 HA ASN 550 -0.940 1.987 -3.558 317 HB2 ASN 550 2HB ASN 550 -2.453 1.214 -5.992 318 HB3 ASN 550 1HB ASN 550 -2.898 2.735 -5.225 319 HD21 ASN 550 1HD2 ASN 550 0.301 1.278 -5.298 320 HD22 ASN 550 2HD2 ASN 550 1.048 2.521 -6.236 321 H GLN 551 H GLN 551 -3.873 0.009 -3.900 322 HA GLN 551 HA GLN 551 -5.510 -0.353 -2.339 323 HB2 GLN 551 2HB GLN 551 -4.634 2.136 -0.889 324 HB3 GLN 551 1HB GLN 551 -5.709 0.875 -0.310 325 HG2 GLN 551 2HG GLN 551 -3.724 -0.700 -0.587 326 HG3 GLN 551 1HG GLN 551 -2.746 0.761 -0.697 327 HE21 GLN 551 1HE2 GLN 551 -3.869 -1.535 1.356 328 HE22 GLN 551 2HE2 GLN 551 -3.746 -0.678 2.851 329 H ASP 552 H ASP 552 -7.491 0.008 -2.877 330 HA ASP 552 HA ASP 552 -8.579 2.638 -3.269 331 HB2 ASP 552 2HB ASP 552 -7.370 1.670 -5.473 332 HB3 ASP 552 1HB ASP 552 -8.965 0.948 -5.671 333 H GLY 553 H GLY 553 -9.458 1.073 -1.374 334 HA2 GLY 553 2HA GLY 553 -11.474 0.303 -0.553 335 HA3 GLY 553 1HA GLY 553 -12.148 0.472 -2.166 336 H LEU 554 H LEU 554 -9.426 -1.489 -0.991 337 HA LEU 554 HA LEU 554 -10.789 -3.860 -2.086 338 HB2 LEU 554 2HB LEU 554 -7.860 -3.716 -1.458 339 HB3 LEU 554 1HB LEU 554 -8.695 -4.814 -2.540 340 HG LEU 554 HG LEU 554 -8.183 -1.879 -3.024 341 HD11 LEU 554 1HD1 LEU 554 -6.191 -2.726 -3.632 342 HD12 LEU 554 2HD1 LEU 554 -7.064 -3.219 -5.084 343 HD13 LEU 554 3HD1 LEU 554 -6.814 -4.372 -3.773 344 HD21 LEU 554 3HD2 LEU 554 -10.276 -2.349 -4.009 345 HD22 LEU 554 1HD2 LEU 554 -9.736 -3.927 -4.585 346 HD23 LEU 554 2HD2 LEU 554 -9.095 -2.454 -5.314 347 H ILE 555 H ILE 555 -9.558 -2.413 0.765 348 HA ILE 555 HA ILE 555 -9.774 -4.949 2.229 349 HB ILE 555 HB ILE 555 -8.450 -2.430 3.216 350 HG12 ILE 555 2HG1 ILE 555 -6.581 -4.508 2.548 351 HG13 ILE 555 1HG1 ILE 555 -7.561 -4.136 1.133 352 HG21 ILE 555 1HG2 ILE 555 -9.244 -4.633 4.587 353 HG22 ILE 555 2HG2 ILE 555 -7.917 -3.575 5.065 354 HG23 ILE 555 3HG2 ILE 555 -7.584 -5.058 4.170 355 HD11 ILE 555 3HD1 ILE 555 -5.317 -2.813 1.863 356 HD12 ILE 555 1HD1 ILE 555 -6.570 -1.793 2.570 357 HD13 ILE 555 2HD1 ILE 555 -6.593 -2.147 0.843 358 H CYS 556 H CYS 556 -11.089 -1.786 1.870 359 HA CYS 556 HA CYS 556 -12.548 -1.871 4.367 360 HB2 CYS 556 2HB CYS 556 -11.584 0.226 3.078 361 HB3 CYS 556 1HB CYS 556 -13.113 0.135 2.218 362 H GLY 557 H GLY 557 -12.984 -3.956 2.454 363 HA2 GLY 557 2HA GLY 557 -15.608 -4.498 2.668 364 HA3 GLY 557 1HA GLY 557 -15.526 -3.514 1.209 365 H LEU 558 H LEU 558 -15.432 -4.670 -0.555 366 HA LEU 558 HA LEU 558 -13.538 -6.827 -0.806 367 HB2 LEU 558 2HB LEU 558 -16.154 -7.716 -1.758 368 HB3 LEU 558 1HB LEU 558 -14.919 -8.594 -0.877 369 HG LEU 558 HG LEU 558 -16.671 -6.623 0.553 370 HD11 LEU 558 1HD1 LEU 558 -17.395 -9.517 0.261 371 HD12 LEU 558 2HD1 LEU 558 -18.032 -8.279 -0.822 372 HD13 LEU 558 3HD1 LEU 558 -18.363 -8.192 0.908 373 HD21 LEU 558 3HD2 LEU 558 -14.571 -8.356 1.286 374 HD22 LEU 558 1HD2 LEU 558 -16.051 -9.034 1.965 375 HD23 LEU 558 2HD2 LEU 558 -15.586 -7.374 2.341 376 H ARG 559 H ARG 559 -16.157 -4.944 -2.216 377 HA ARG 559 HA ARG 559 -14.625 -4.746 -4.696 378 HB2 ARG 559 2HB ARG 559 -16.917 -4.926 -5.902 379 HB3 ARG 559 1HB ARG 559 -16.093 -6.399 -5.413 380 HG2 ARG 559 2HG ARG 559 -17.604 -6.862 -3.752 381 HG3 ARG 559 1HG ARG 559 -18.067 -5.170 -3.555 382 HD2 ARG 559 2HD ARG 559 -19.144 -5.283 -5.802 383 HD3 ARG 559 1HD ARG 559 -18.813 -7.015 -5.815 384 HE ARG 559 HE ARG 559 -20.174 -6.471 -3.462 385 HH11 ARG 559 1HH1 ARG 559 -20.775 -6.268 -6.894 386 HH12 ARG 559 2HH1 ARG 559 -22.480 -6.527 -6.737 387 HH21 ARG 559 1HH2 ARG 559 -22.417 -6.812 -3.254 388 HH22 ARG 559 2HH2 ARG 559 -23.413 -6.836 -4.672 389 H GLN 560 H GLN 560 -14.701 -2.835 -2.772 390 HA GLN 560 HA GLN 560 -16.664 -0.946 -2.673 391 HB2 GLN 560 2HB GLN 560 -13.684 -0.468 -2.832 392 HB3 GLN 560 1HB GLN 560 -14.857 0.745 -2.343 393 HG2 GLN 560 2HG GLN 560 -13.961 -1.709 -0.895 394 HG3 GLN 560 1HG GLN 560 -14.035 -0.040 -0.327 395 HE21 GLN 560 1HE2 GLN 560 -15.937 -2.877 -1.124 396 HE22 GLN 560 2HE2 GLN 560 -17.307 -2.469 -0.157 Start of MODEL 15 1 H1 ALA 507 1HT ALA 507 -11.270 -11.812 -1.568 2 H2 ALA 507 2HT ALA 507 -10.110 -12.323 -0.412 3 H3 ALA 507 3HT ALA 507 -9.855 -10.880 -1.305 4 HA ALA 507 HA ALA 507 -11.563 -9.780 -0.235 5 HB1 ALA 507 2HB ALA 507 -13.209 -11.539 -0.216 6 HB2 ALA 507 3HB ALA 507 -13.000 -10.920 1.423 7 HB3 ALA 507 1HB ALA 507 -12.267 -12.456 0.962 8 H GLN 508 H GLN 508 -11.528 -8.981 1.994 9 HA GLN 508 HA GLN 508 -9.873 -10.040 3.994 10 HB2 GLN 508 2HB GLN 508 -8.055 -8.236 3.810 11 HB3 GLN 508 1HB GLN 508 -7.949 -9.625 2.737 12 HG2 GLN 508 2HG GLN 508 -9.212 -8.135 1.052 13 HG3 GLN 508 1HG GLN 508 -8.715 -6.808 2.100 14 HE21 GLN 508 1HE2 GLN 508 -7.971 -7.996 -0.685 15 HE22 GLN 508 2HE2 GLN 508 -6.246 -7.894 -0.684 16 HA PRO 509 HA PRO 509 -12.197 -6.628 5.775 17 HB2 PRO 509 2HB PRO 509 -12.733 -7.732 8.077 18 HB3 PRO 509 1HB PRO 509 -13.315 -8.541 6.610 19 HG2 PRO 509 2HG PRO 509 -10.887 -9.137 8.258 20 HG3 PRO 509 1HG PRO 509 -12.103 -10.271 7.638 21 HD2 PRO 509 2HD PRO 509 -9.667 -9.694 6.413 22 HD3 PRO 509 1HD PRO 509 -11.073 -10.397 5.589 23 H LYS 510 H LYS 510 -11.011 -4.887 6.265 24 HA LYS 510 HA LYS 510 -9.631 -4.743 8.781 25 HB2 LYS 510 2HB LYS 510 -8.142 -4.731 6.198 26 HB3 LYS 510 1HB LYS 510 -7.591 -3.674 7.488 27 HG2 LYS 510 2HG LYS 510 -7.893 -6.665 7.648 28 HG3 LYS 510 1HG LYS 510 -6.380 -5.772 7.504 29 HD2 LYS 510 2HD LYS 510 -6.286 -5.502 9.708 30 HD3 LYS 510 1HD LYS 510 -7.877 -4.740 9.715 31 HE2 LYS 510 2HE LYS 510 -7.579 -6.830 11.141 32 HE3 LYS 510 1HE LYS 510 -8.975 -6.781 10.066 33 HZ1 LYS 510 3HZ LYS 510 -6.493 -7.990 9.079 34 HZ2 LYS 510 1HZ LYS 510 -8.100 -8.368 8.703 35 HZ3 LYS 510 2HZ LYS 510 -7.434 -8.872 10.174 36 H CYS 511 H CYS 511 -10.137 -3.162 5.703 37 HA CYS 511 HA CYS 511 -10.992 -1.161 5.134 38 HB2 CYS 511 2HB CYS 511 -12.005 -1.537 7.786 39 HB3 CYS 511 1HB CYS 511 -11.628 0.161 7.531 40 H ASN 512 H ASN 512 -8.314 -1.422 5.309 41 HA ASN 512 HA ASN 512 -7.559 1.296 6.078 42 HB2 ASN 512 2HB ASN 512 -6.721 -0.192 7.830 43 HB3 ASN 512 1HB ASN 512 -5.896 -1.168 6.621 44 HD21 ASN 512 1HD2 ASN 512 -5.925 2.246 6.118 45 HD22 ASN 512 2HD2 ASN 512 -4.295 2.541 6.599 46 HA PRO 513 HA PRO 513 -5.814 -0.104 1.900 47 HB2 PRO 513 2HB PRO 513 -7.762 0.144 0.129 48 HB3 PRO 513 1HB PRO 513 -7.715 -1.267 1.189 49 HG2 PRO 513 2HG PRO 513 -9.358 1.231 1.461 50 HG3 PRO 513 1HG PRO 513 -9.866 -0.455 1.622 51 HD2 PRO 513 2HD PRO 513 -9.218 1.166 3.747 52 HD3 PRO 513 1HD PRO 513 -9.109 -0.607 3.770 53 H ASN 514 H ASN 514 -8.104 1.896 0.352 54 HA ASN 514 HA ASN 514 -6.180 3.911 -0.153 55 HB2 ASN 514 2HB ASN 514 -7.652 4.692 -1.751 56 HB3 ASN 514 1HB ASN 514 -8.149 3.009 -1.615 57 HD21 ASN 514 1HD2 ASN 514 -10.151 2.519 -0.873 58 HD22 ASN 514 2HD2 ASN 514 -11.352 3.700 -0.491 59 H LEU 515 H LEU 515 -7.982 3.438 2.553 60 HA LEU 515 HA LEU 515 -8.508 6.276 3.008 61 HB2 LEU 515 2HB LEU 515 -9.240 3.866 4.675 62 HB3 LEU 515 1HB LEU 515 -9.723 5.519 5.006 63 HG LEU 515 HG LEU 515 -11.622 4.659 4.007 64 HD11 LEU 515 1HD1 LEU 515 -10.994 6.680 2.841 65 HD12 LEU 515 2HD1 LEU 515 -11.738 5.549 1.709 66 HD13 LEU 515 3HD1 LEU 515 -9.985 5.761 1.723 67 HD21 LEU 515 3HD2 LEU 515 -9.890 3.208 2.005 68 HD22 LEU 515 1HD2 LEU 515 -11.649 3.115 2.129 69 HD23 LEU 515 2HD2 LEU 515 -10.636 2.482 3.428 70 H HIS 516 H HIS 516 -5.877 5.704 2.810 71 HA HIS 516 HA HIS 516 -4.705 6.860 4.998 72 HB2 HIS 516 2HB HIS 516 -5.384 4.177 5.609 73 HB3 HIS 516 1HB HIS 516 -3.635 4.226 5.416 74 HD1 HIS 516 1HD HIS 516 -5.515 4.000 8.113 75 HD2 HIS 516 2HD HIS 516 -3.146 7.171 6.848 76 HE1 HIS 516 1HE HIS 516 -4.994 5.321 10.189 77 HE2 HIS 516 2HE HIS 516 -3.490 7.186 9.411 78 H TYR 517 H TYR 517 -4.421 4.534 2.416 79 HA TYR 517 HA TYR 517 -1.798 4.197 1.943 80 HB2 TYR 517 2HB TYR 517 -2.305 3.850 -0.334 81 HB3 TYR 517 1HB TYR 517 -3.795 3.486 0.522 82 HD1 TYR 517 1HD TYR 517 -5.284 5.768 0.868 83 HD2 TYR 517 2HD TYR 517 -2.597 4.969 -2.330 84 HE1 TYR 517 1HE TYR 517 -6.518 7.351 -0.551 85 HE2 TYR 517 2HE TYR 517 -3.816 6.556 -3.758 86 HH TYR 517 HH TYR 517 -6.869 7.802 -2.932 87 H TRP 518 H TRP 518 -3.578 7.156 1.191 88 HA TRP 518 HA TRP 518 -1.472 8.550 -0.063 89 HB2 TRP 518 2HB TRP 518 -2.878 10.589 0.679 90 HB3 TRP 518 1HB TRP 518 -3.634 9.426 -0.410 91 HD1 TRP 518 HD TRP 518 -3.359 8.504 3.265 92 HE1 TRP 518 1HE TRP 518 -5.703 8.503 4.312 93 HE3 TRP 518 3HE TRP 518 -5.966 10.562 -0.611 94 HZ2 TRP 518 2HZ TRP 518 -8.324 9.283 3.590 95 HZ3 TRP 518 3HZ TRP 518 -8.391 10.903 -0.357 96 HH2 TRP 518 HH TRP 518 -9.544 10.273 1.703 97 H THR 519 H THR 519 0.337 8.057 1.333 98 HA THR 519 HA THR 519 0.874 10.123 3.209 99 HB THR 519 HB THR 519 -0.509 8.876 4.691 100 HG1 THR 519 1HG THR 519 2.158 8.126 5.273 101 HG21 THR 519 3HG2 THR 519 -0.611 6.638 4.975 102 HG22 THR 519 1HG2 THR 519 1.080 6.391 4.541 103 HG23 THR 519 2HG2 THR 519 -0.117 6.690 3.280 104 H THR 520 H THR 520 1.719 6.733 2.593 105 HA THR 520 HA THR 520 4.503 7.575 2.186 106 HB THR 520 HB THR 520 4.207 6.300 4.304 107 HG1 THR 520 1HG THR 520 5.711 5.153 2.208 108 HG21 THR 520 3HG2 THR 520 2.656 4.674 4.212 109 HG22 THR 520 1HG2 THR 520 4.040 3.702 3.710 110 HG23 THR 520 2HG2 THR 520 2.932 4.350 2.500 111 H GLN 521 H GLN 521 1.767 6.414 0.763 112 HA GLN 521 HA GLN 521 3.191 4.723 -1.117 113 HB2 GLN 521 2HB GLN 521 1.229 3.646 -1.576 114 HB3 GLN 521 1HB GLN 521 0.841 4.221 0.038 115 HG2 GLN 521 2HG GLN 521 -1.040 4.738 -1.196 116 HG3 GLN 521 1HG GLN 521 -0.161 6.261 -1.145 117 HE21 GLN 521 1HE2 GLN 521 -0.643 7.227 -2.979 118 HE22 GLN 521 2HE2 GLN 521 -0.459 6.549 -4.556 119 H ASP 522 H ASP 522 1.275 7.614 -0.916 120 HA ASP 522 HA ASP 522 1.638 8.226 -3.730 121 HB2 ASP 522 2HB ASP 522 -0.330 8.852 -1.875 122 HB3 ASP 522 1HB ASP 522 0.531 10.370 -2.102 123 H GLU 523 H GLU 523 3.544 8.368 -1.183 124 HA GLU 523 HA GLU 523 5.055 10.664 -2.187 125 HB2 GLU 523 2HB GLU 523 5.102 10.157 0.744 126 HB3 GLU 523 1HB GLU 523 5.275 11.672 -0.134 127 HG2 GLU 523 2HG GLU 523 2.745 11.208 -0.715 128 HG3 GLU 523 1HG GLU 523 2.823 10.271 0.778 129 H GLY 524 H GLY 524 4.874 7.536 -0.785 130 HA2 GLY 524 2HA GLY 524 7.800 7.253 -0.975 131 HA3 GLY 524 1HA GLY 524 6.795 6.343 0.146 132 H ALA 525 H ALA 525 4.679 6.012 -1.930 133 HA ALA 525 HA ALA 525 5.986 3.831 -3.394 134 HB1 ALA 525 1HB ALA 525 3.857 2.748 -3.527 135 HB2 ALA 525 2HB ALA 525 3.030 4.185 -2.921 136 HB3 ALA 525 3HB ALA 525 4.094 3.265 -1.857 137 H ALA 526 H ALA 526 5.832 6.728 -4.065 138 HA ALA 526 HA ALA 526 4.907 6.398 -6.827 139 HB1 ALA 526 1HB ALA 526 4.089 8.833 -6.640 140 HB2 ALA 526 2HB ALA 526 4.063 8.523 -4.903 141 HB3 ALA 526 3HB ALA 526 3.075 7.545 -5.989 142 H ILE 527 H ILE 527 7.347 7.253 -4.770 143 HA ILE 527 HA ILE 527 8.830 8.561 -6.900 144 HB ILE 527 HB ILE 527 9.667 10.024 -4.734 145 HG12 ILE 527 2HG1 ILE 527 7.429 8.998 -3.700 146 HG13 ILE 527 1HG1 ILE 527 7.956 10.636 -3.336 147 HG21 ILE 527 1HG2 ILE 527 8.099 11.822 -5.831 148 HG22 ILE 527 2HG2 ILE 527 7.875 10.563 -7.046 149 HG23 ILE 527 3HG2 ILE 527 9.492 11.177 -6.698 150 HD11 ILE 527 3HD1 ILE 527 5.483 10.126 -4.000 151 HD12 ILE 527 1HD1 ILE 527 6.128 10.191 -5.642 152 HD13 ILE 527 2HD1 ILE 527 6.285 11.588 -4.577 153 H GLY 528 H GLY 528 8.782 7.139 -3.669 154 HA2 GLY 528 2HA GLY 528 11.601 6.841 -3.438 155 HA3 GLY 528 1HA GLY 528 10.390 6.038 -2.454 156 H LEU 529 H LEU 529 10.496 3.903 -2.559 157 HA LEU 529 HA LEU 529 11.176 2.666 -5.138 158 HB2 LEU 529 2HB LEU 529 12.250 1.929 -2.432 159 HB3 LEU 529 1HB LEU 529 12.489 0.972 -3.873 160 HG LEU 529 HG LEU 529 13.499 3.780 -3.426 161 HD11 LEU 529 1HD1 LEU 529 14.925 2.496 -2.169 162 HD12 LEU 529 2HD1 LEU 529 15.714 2.428 -3.744 163 HD13 LEU 529 3HD1 LEU 529 14.727 1.074 -3.193 164 HD21 LEU 529 3HD2 LEU 529 14.722 3.394 -5.547 165 HD22 LEU 529 1HD2 LEU 529 12.972 3.469 -5.749 166 HD23 LEU 529 2HD2 LEU 529 13.796 1.910 -5.771 167 H ALA 530 H ALA 530 8.984 2.191 -5.480 168 HA ALA 530 HA ALA 530 7.872 0.042 -3.775 169 HB1 ALA 530 1HB ALA 530 5.918 1.315 -5.484 170 HB2 ALA 530 2HB ALA 530 6.713 2.488 -4.438 171 HB3 ALA 530 3HB ALA 530 5.900 1.090 -3.736 172 H TRP 531 H TRP 531 8.536 1.235 -6.934 173 HA TRP 531 HA TRP 531 7.326 -0.807 -8.503 174 HB2 TRP 531 2HB TRP 531 9.246 0.235 -10.119 175 HB3 TRP 531 1HB TRP 531 7.713 1.047 -9.809 176 HD1 TRP 531 HD TRP 531 11.225 0.969 -8.160 177 HE1 TRP 531 1HE TRP 531 11.744 3.328 -7.291 178 HE3 TRP 531 3HE TRP 531 6.876 3.286 -9.507 179 HZ2 TRP 531 2HZ TRP 531 10.473 5.868 -7.214 180 HZ3 TRP 531 3HZ TRP 531 6.601 5.677 -9.000 181 HH2 TRP 531 HH TRP 531 8.357 6.942 -7.874 182 H ILE 532 H ILE 532 10.192 -0.583 -6.667 183 HA ILE 532 HA ILE 532 11.534 -2.736 -8.118 184 HB ILE 532 HB ILE 532 12.837 -0.761 -7.624 185 HG12 ILE 532 2HG1 ILE 532 13.806 -2.851 -5.688 186 HG13 ILE 532 1HG1 ILE 532 13.858 -3.105 -7.434 187 HG21 ILE 532 1HG2 ILE 532 11.440 -0.854 -5.152 188 HG22 ILE 532 2HG2 ILE 532 12.487 0.415 -5.790 189 HG23 ILE 532 3HG2 ILE 532 13.172 -0.889 -4.821 190 HD11 ILE 532 3HD1 ILE 532 15.721 -1.927 -7.582 191 HD12 ILE 532 1HD1 ILE 532 15.726 -1.773 -5.824 192 HD13 ILE 532 2HD1 ILE 532 14.939 -0.540 -6.815 193 HA PRO 533 HA PRO 533 9.661 -5.224 -4.731 194 HB2 PRO 533 2HB PRO 533 9.758 -7.576 -6.082 195 HB3 PRO 533 1HB PRO 533 8.454 -6.402 -6.296 196 HG2 PRO 533 2HG PRO 533 10.879 -6.868 -7.991 197 HG3 PRO 533 1HG PRO 533 9.199 -6.596 -8.493 198 HD2 PRO 533 2HD PRO 533 11.059 -4.635 -8.543 199 HD3 PRO 533 1HD PRO 533 9.348 -4.313 -8.198 200 H TYR 534 H TYR 534 11.930 -4.556 -3.907 201 HA TYR 534 HA TYR 534 13.825 -6.785 -4.096 202 HB2 TYR 534 2HB TYR 534 14.780 -4.622 -4.616 203 HB3 TYR 534 1HB TYR 534 14.160 -3.946 -3.114 204 HD1 TYR 534 2HD TYR 534 15.896 -7.188 -3.668 205 HD2 TYR 534 1HD TYR 534 16.071 -3.302 -1.951 206 HE1 TYR 534 2HE TYR 534 17.996 -7.791 -2.537 207 HE2 TYR 534 1HE TYR 534 18.171 -3.891 -0.812 208 HH TYR 534 HH TYR 534 20.110 -6.185 -1.603 209 H PHE 535 H PHE 535 11.865 -4.953 -1.843 210 HA PHE 535 HA PHE 535 12.651 -6.835 0.283 211 HB2 PHE 535 2HB PHE 535 11.515 -4.577 1.522 212 HB3 PHE 535 1HB PHE 535 13.201 -5.075 1.547 213 HD1 PHE 535 1HD PHE 535 10.811 -3.247 -0.663 214 HD2 PHE 535 2HD PHE 535 14.776 -3.566 0.847 215 HE1 PHE 535 1HE PHE 535 11.430 -1.194 -1.869 216 HE2 PHE 535 2HE PHE 535 15.402 -1.511 -0.354 217 HZ PHE 535 HZ PHE 535 13.727 -0.322 -1.710 218 H GLY 536 H GLY 536 10.007 -4.986 -1.153 219 HA2 GLY 536 2HA GLY 536 7.730 -5.279 -1.076 220 HA3 GLY 536 1HA GLY 536 8.090 -6.981 -0.830 221 HA PRO 537 HA PRO 537 6.131 -6.291 3.124 222 HB2 PRO 537 2HB PRO 537 6.406 -8.766 4.140 223 HB3 PRO 537 1HB PRO 537 5.268 -8.411 2.834 224 HG2 PRO 537 2HG PRO 537 8.003 -9.623 2.687 225 HG3 PRO 537 1HG PRO 537 6.520 -10.104 1.841 226 HD2 PRO 537 2HD PRO 537 8.482 -8.601 0.689 227 HD3 PRO 537 1HD PRO 537 6.774 -8.496 0.223 228 H ALA 538 H ALA 538 9.398 -6.773 2.572 229 HA ALA 538 HA ALA 538 10.215 -7.050 5.331 230 HB1 ALA 538 1HB ALA 538 12.207 -6.272 3.299 231 HB2 ALA 538 2HB ALA 538 11.385 -7.809 3.034 232 HB3 ALA 538 3HB ALA 538 12.272 -7.532 4.533 233 H ALA 539 H ALA 539 9.464 -4.500 3.169 234 HA ALA 539 HA ALA 539 10.998 -2.522 4.665 235 HB1 ALA 539 1HB ALA 539 11.138 -1.921 2.465 236 HB2 ALA 539 2HB ALA 539 9.690 -1.020 2.918 237 HB3 ALA 539 3HB ALA 539 9.542 -2.565 2.082 238 H GLU 540 H GLU 540 7.933 -3.925 4.542 239 HA GLU 540 HA GLU 540 6.038 -2.147 5.152 240 HB2 GLU 540 2HB GLU 540 6.575 -4.916 5.750 241 HB3 GLU 540 1HB GLU 540 5.610 -4.168 7.020 242 HG2 GLU 540 2HG GLU 540 4.183 -3.287 5.032 243 HG3 GLU 540 1HG GLU 540 4.964 -4.593 4.141 244 H GLY 541 H GLY 541 6.633 -0.290 6.266 245 HA2 GLY 541 2HA GLY 541 6.112 0.469 8.581 246 HA3 GLY 541 1HA GLY 541 7.312 -0.692 9.109 247 H ILE 542 H ILE 542 8.716 0.401 6.438 248 HA ILE 542 HA ILE 542 10.131 2.496 7.928 249 HB ILE 542 HB ILE 542 11.097 1.320 5.346 250 HG12 ILE 542 2HG1 ILE 542 12.165 0.195 7.866 251 HG13 ILE 542 1HG1 ILE 542 10.542 -0.325 7.419 252 HG21 ILE 542 1HG2 ILE 542 12.546 2.494 7.712 253 HG22 ILE 542 2HG2 ILE 542 12.179 3.341 6.210 254 HG23 ILE 542 3HG2 ILE 542 13.276 1.961 6.198 255 HD11 ILE 542 3HD1 ILE 542 11.662 -0.727 5.090 256 HD12 ILE 542 1HD1 ILE 542 11.790 -1.918 6.386 257 HD13 ILE 542 2HD1 ILE 542 13.132 -0.819 6.064 258 H TYR 543 H TYR 543 8.386 1.886 4.946 259 HA TYR 543 HA TYR 543 7.586 4.529 4.607 260 HB2 TYR 543 2HB TYR 543 9.085 4.806 2.383 261 HB3 TYR 543 1HB TYR 543 9.544 5.465 3.947 262 HD1 TYR 543 2HD TYR 543 9.718 1.887 2.948 263 HD2 TYR 543 1HD TYR 543 11.887 5.464 3.731 264 HE1 TYR 543 2HE TYR 543 11.825 0.624 2.852 265 HE2 TYR 543 1HE TYR 543 13.999 4.210 3.636 266 HH TYR 543 HH TYR 543 14.237 1.097 2.389 267 H ILE 544 H ILE 544 8.811 3.059 1.704 268 HA ILE 544 HA ILE 544 6.327 2.948 0.455 269 HB ILE 544 HB ILE 544 8.627 1.166 -0.304 270 HG12 ILE 544 2HG1 ILE 544 8.930 3.480 -1.775 271 HG13 ILE 544 1HG1 ILE 544 8.525 4.090 -0.173 272 HG21 ILE 544 1HG2 ILE 544 7.536 2.338 -2.552 273 HG22 ILE 544 2HG2 ILE 544 6.139 2.029 -1.521 274 HG23 ILE 544 3HG2 ILE 544 7.218 0.705 -1.965 275 HD11 ILE 544 3HD1 ILE 544 10.793 3.972 -0.015 276 HD12 ILE 544 1HD1 ILE 544 10.910 2.572 -1.081 277 HD13 ILE 544 2HD1 ILE 544 10.360 2.370 0.583 278 H GLU 545 H GLU 545 8.302 0.119 1.341 279 HA GLU 545 HA GLU 545 7.710 -1.871 2.308 280 HB2 GLU 545 2HB GLU 545 4.805 -1.093 2.231 281 HB3 GLU 545 1HB GLU 545 5.608 -2.242 3.293 282 HG2 GLU 545 2HG GLU 545 6.748 -0.426 4.437 283 HG3 GLU 545 1HG GLU 545 5.999 0.744 3.357 284 H GLY 546 H GLY 546 7.530 -1.015 -0.622 285 HA2 GLY 546 2HA GLY 546 7.291 -2.187 -2.586 286 HA3 GLY 546 1HA GLY 546 6.837 -3.589 -1.631 287 H LEU 547 H LEU 547 4.566 -3.218 -0.540 288 HA LEU 547 HA LEU 547 2.363 -3.481 -1.027 289 HB2 LEU 547 2HB LEU 547 1.255 -1.291 -1.670 290 HB3 LEU 547 1HB LEU 547 2.177 -1.331 -0.183 291 HG LEU 547 HG LEU 547 3.998 -0.422 -2.090 292 HD11 LEU 547 1HD1 LEU 547 1.633 -0.088 -3.325 293 HD12 LEU 547 2HD1 LEU 547 3.018 0.978 -3.549 294 HD13 LEU 547 3HD1 LEU 547 1.735 1.422 -2.422 295 HD21 LEU 547 3HD2 LEU 547 3.290 0.251 0.375 296 HD22 LEU 547 1HD2 LEU 547 2.459 1.539 -0.497 297 HD23 LEU 547 2HD2 LEU 547 4.203 1.337 -0.672 298 H MET 548 H MET 548 3.121 -1.305 -3.749 299 HA MET 548 HA MET 548 3.047 -1.644 -6.011 300 HB2 MET 548 2HB MET 548 2.144 -4.476 -5.550 301 HB3 MET 548 1HB MET 548 2.921 -3.801 -6.974 302 HG2 MET 548 2HG MET 548 4.977 -4.070 -6.138 303 HG3 MET 548 1HG MET 548 4.496 -3.568 -4.521 304 HE1 MET 548 3HE MET 548 3.292 -6.034 -2.648 305 HE2 MET 548 1HE MET 548 4.391 -4.663 -2.797 306 HE3 MET 548 2HE MET 548 5.035 -6.292 -2.595 307 H HIS 549 H HIS 549 0.445 -2.608 -3.938 308 HA HIS 549 HA HIS 549 -1.537 -2.450 -6.047 309 HB2 HIS 549 2HB HIS 549 -3.019 -2.614 -3.781 310 HB3 HIS 549 1HB HIS 549 -2.374 -4.014 -4.629 311 HD1 HIS 549 1HD HIS 549 -0.743 -1.637 -2.137 312 HD2 HIS 549 2HD HIS 549 -1.467 -5.687 -2.708 313 HE1 HIS 549 1HE HIS 549 0.449 -2.800 -0.258 314 HE2 HIS 549 2HE HIS 549 -0.104 -5.243 -0.554 315 H ASN 550 H ASN 550 -0.219 -0.468 -3.531 316 HA ASN 550 HA ASN 550 -0.447 1.753 -3.063 317 HB2 ASN 550 2HB ASN 550 -2.300 1.836 -5.458 318 HB3 ASN 550 1HB ASN 550 -1.588 3.226 -4.646 319 HD21 ASN 550 1HD2 ASN 550 -1.050 0.579 -6.802 320 HD22 ASN 550 2HD2 ASN 550 0.517 1.064 -7.342 321 H GLN 551 H GLN 551 -3.074 -0.408 -3.140 322 HA GLN 551 HA GLN 551 -4.907 -0.604 -1.844 323 HB2 GLN 551 2HB GLN 551 -4.037 1.930 -0.469 324 HB3 GLN 551 1HB GLN 551 -5.117 0.691 0.147 325 HG2 GLN 551 2HG GLN 551 -3.229 -0.913 0.068 326 HG3 GLN 551 1HG GLN 551 -2.171 0.431 -0.358 327 HE21 GLN 551 1HE2 GLN 551 -3.257 -1.415 2.128 328 HE22 GLN 551 2HE2 GLN 551 -2.941 -0.346 3.448 329 H ASP 552 H ASP 552 -6.805 -0.306 -2.616 330 HA ASP 552 HA ASP 552 -7.922 2.322 -3.045 331 HB2 ASP 552 2HB ASP 552 -6.610 1.329 -5.176 332 HB3 ASP 552 1HB ASP 552 -8.185 0.583 -5.428 333 H GLY 553 H GLY 553 -8.915 0.865 -1.157 334 HA2 GLY 553 2HA GLY 553 -10.939 0.045 -0.416 335 HA3 GLY 553 1HA GLY 553 -11.537 0.157 -2.066 336 H LEU 554 H LEU 554 -8.968 -1.724 -0.458 337 HA LEU 554 HA LEU 554 -10.037 -4.123 -1.785 338 HB2 LEU 554 2HB LEU 554 -7.302 -3.851 -0.562 339 HB3 LEU 554 1HB LEU 554 -7.864 -5.067 -1.695 340 HG LEU 554 HG LEU 554 -7.261 -2.170 -2.263 341 HD11 LEU 554 1HD1 LEU 554 -5.773 -3.280 -3.988 342 HD12 LEU 554 2HD1 LEU 554 -6.072 -4.790 -3.127 343 HD13 LEU 554 3HD1 LEU 554 -5.285 -3.445 -2.301 344 HD21 LEU 554 3HD2 LEU 554 -9.261 -2.649 -3.476 345 HD22 LEU 554 1HD2 LEU 554 -8.636 -4.215 -3.997 346 HD23 LEU 554 2HD2 LEU 554 -7.915 -2.728 -4.612 347 H ILE 555 H ILE 555 -8.958 -2.809 1.291 348 HA ILE 555 HA ILE 555 -9.844 -5.265 2.633 349 HB ILE 555 HB ILE 555 -8.788 -3.718 4.640 350 HG12 ILE 555 2HG1 ILE 555 -7.977 -2.125 2.829 351 HG13 ILE 555 1HG1 ILE 555 -6.752 -2.722 3.939 352 HG21 ILE 555 1HG2 ILE 555 -6.955 -5.280 4.627 353 HG22 ILE 555 2HG2 ILE 555 -7.282 -5.701 2.946 354 HG23 ILE 555 3HG2 ILE 555 -8.447 -6.119 4.203 355 HD11 ILE 555 3HD1 ILE 555 -6.424 -2.661 1.293 356 HD12 ILE 555 1HD1 ILE 555 -7.133 -4.268 1.455 357 HD13 ILE 555 2HD1 ILE 555 -5.658 -3.862 2.331 358 H CYS 556 H CYS 556 -10.665 -1.975 2.117 359 HA CYS 556 HA CYS 556 -12.627 -1.979 4.288 360 HB2 CYS 556 2HB CYS 556 -11.015 0.022 3.565 361 HB3 CYS 556 1HB CYS 556 -12.317 0.341 2.436 362 H GLY 557 H GLY 557 -12.688 -3.496 1.660 363 HA2 GLY 557 2HA GLY 557 -15.370 -3.606 1.195 364 HA3 GLY 557 1HA GLY 557 -14.793 -2.330 0.134 365 H LEU 558 H LEU 558 -15.751 -5.266 -0.078 366 HA LEU 558 HA LEU 558 -13.533 -6.421 -1.586 367 HB2 LEU 558 2HB LEU 558 -16.238 -7.608 -1.015 368 HB3 LEU 558 1HB LEU 558 -14.803 -8.456 -1.562 369 HG LEU 558 HG LEU 558 -13.750 -7.696 0.669 370 HD11 LEU 558 1HD1 LEU 558 -16.492 -6.729 0.936 371 HD12 LEU 558 2HD1 LEU 558 -15.038 -6.295 1.841 372 HD13 LEU 558 3HD1 LEU 558 -15.958 -7.732 2.289 373 HD21 LEU 558 3HD2 LEU 558 -16.009 -9.679 0.822 374 HD22 LEU 558 1HD2 LEU 558 -14.516 -9.666 1.761 375 HD23 LEU 558 2HD2 LEU 558 -14.468 -10.012 0.031 376 H ARG 559 H ARG 559 -15.353 -4.131 -2.449 377 HA ARG 559 HA ARG 559 -15.603 -4.933 -5.183 378 HB2 ARG 559 2HB ARG 559 -18.159 -4.132 -4.992 379 HB3 ARG 559 1HB ARG 559 -17.672 -5.818 -4.875 380 HG2 ARG 559 2HG ARG 559 -17.776 -5.756 -2.482 381 HG3 ARG 559 1HG ARG 559 -18.032 -4.009 -2.494 382 HD2 ARG 559 2HD ARG 559 -20.070 -4.797 -4.065 383 HD3 ARG 559 1HD ARG 559 -19.922 -6.209 -3.020 384 HE ARG 559 HE ARG 559 -19.945 -3.776 -1.533 385 HH11 ARG 559 1HH1 ARG 559 -21.998 -6.075 -3.170 386 HH12 ARG 559 2HH1 ARG 559 -23.390 -5.706 -2.208 387 HH21 ARG 559 1HH2 ARG 559 -21.775 -3.289 -0.268 388 HH22 ARG 559 2HH2 ARG 559 -23.265 -4.123 -0.561 389 H GLN 560 H GLN 560 -14.434 -2.797 -3.405 390 HA GLN 560 HA GLN 560 -15.793 -0.364 -4.000 391 HB2 GLN 560 2HB GLN 560 -12.910 -0.785 -3.184 392 HB3 GLN 560 1HB GLN 560 -13.777 0.744 -3.150 393 HG2 GLN 560 2HG GLN 560 -13.872 -1.539 -1.286 394 HG3 GLN 560 1HG GLN 560 -13.998 0.192 -0.970 395 HE21 GLN 560 1HE2 GLN 560 -15.680 -2.732 -1.532 396 HE22 GLN 560 2HE2 GLN 560 -17.284 -2.120 -1.372 Start of MODEL 16 1 H1 ALA 507 1HT ALA 507 -11.773 -10.337 -2.209 2 H2 ALA 507 2HT ALA 507 -11.264 -11.712 -1.319 3 H3 ALA 507 3HT ALA 507 -10.378 -10.246 -1.218 4 HA ALA 507 HA ALA 507 -12.562 -9.267 -0.411 5 HB1 ALA 507 2HB ALA 507 -13.086 -11.920 0.766 6 HB2 ALA 507 3HB ALA 507 -13.515 -11.723 -0.934 7 HB3 ALA 507 1HB ALA 507 -14.207 -10.648 0.280 8 H GLN 508 H GLN 508 -12.362 -8.549 1.679 9 HA GLN 508 HA GLN 508 -11.004 -9.899 3.737 10 HB2 GLN 508 2HB GLN 508 -9.053 -8.152 3.776 11 HB3 GLN 508 1HB GLN 508 -8.924 -9.608 2.801 12 HG2 GLN 508 2HG GLN 508 -9.821 -8.194 0.875 13 HG3 GLN 508 1HG GLN 508 -9.484 -6.803 1.903 14 HE21 GLN 508 1HE2 GLN 508 -7.151 -7.717 3.127 15 HE22 GLN 508 2HE2 GLN 508 -5.899 -7.792 1.941 16 HA PRO 509 HA PRO 509 -13.170 -6.430 5.592 17 HB2 PRO 509 2HB PRO 509 -13.831 -7.585 7.838 18 HB3 PRO 509 1HB PRO 509 -14.415 -8.304 6.326 19 HG2 PRO 509 2HG PRO 509 -12.052 -9.087 7.996 20 HG3 PRO 509 1HG PRO 509 -13.327 -10.132 7.338 21 HD2 PRO 509 2HD PRO 509 -10.861 -9.702 6.147 22 HD3 PRO 509 1HD PRO 509 -12.313 -10.234 5.277 23 H LYS 510 H LYS 510 -11.699 -4.848 6.005 24 HA LYS 510 HA LYS 510 -10.491 -4.801 8.629 25 HB2 LYS 510 2HB LYS 510 -8.904 -5.005 6.130 26 HB3 LYS 510 1HB LYS 510 -8.321 -3.893 7.359 27 HG2 LYS 510 2HG LYS 510 -8.003 -5.609 8.921 28 HG3 LYS 510 1HG LYS 510 -8.991 -6.744 8.000 29 HD2 LYS 510 2HD LYS 510 -6.980 -5.991 6.236 30 HD3 LYS 510 1HD LYS 510 -6.160 -6.156 7.790 31 HE2 LYS 510 2HE LYS 510 -6.474 -8.390 7.866 32 HE3 LYS 510 1HE LYS 510 -8.070 -8.296 7.125 33 HZ1 LYS 510 3HZ LYS 510 -6.052 -9.337 5.855 34 HZ2 LYS 510 1HZ LYS 510 -5.726 -7.723 5.462 35 HZ3 LYS 510 2HZ LYS 510 -7.208 -8.416 5.032 36 H CYS 511 H CYS 511 -10.754 -3.181 5.543 37 HA CYS 511 HA CYS 511 -11.406 -1.110 4.951 38 HB2 CYS 511 2HB CYS 511 -12.505 -1.375 7.596 39 HB3 CYS 511 1HB CYS 511 -12.005 0.285 7.302 40 H ASN 512 H ASN 512 -8.775 -1.604 5.189 41 HA ASN 512 HA ASN 512 -7.791 1.022 6.024 42 HB2 ASN 512 2HB ASN 512 -7.180 -0.874 7.643 43 HB3 ASN 512 1HB ASN 512 -6.115 -1.452 6.369 44 HD21 ASN 512 1HD2 ASN 512 -6.004 1.736 5.866 45 HD22 ASN 512 2HD2 ASN 512 -4.699 2.171 6.901 46 HA PRO 513 HA PRO 513 -6.140 -0.424 1.829 47 HB2 PRO 513 2HB PRO 513 -8.024 0.102 0.046 48 HB3 PRO 513 1HB PRO 513 -8.130 -1.351 1.039 49 HG2 PRO 513 2HG PRO 513 -9.538 1.272 1.393 50 HG3 PRO 513 1HG PRO 513 -10.195 -0.367 1.502 51 HD2 PRO 513 2HD PRO 513 -9.416 1.138 3.673 52 HD3 PRO 513 1HD PRO 513 -9.491 -0.635 3.654 53 H ASN 514 H ASN 514 -8.180 1.874 0.333 54 HA ASN 514 HA ASN 514 -6.009 3.698 0.029 55 HB2 ASN 514 2HB ASN 514 -7.225 4.643 -1.691 56 HB3 ASN 514 1HB ASN 514 -7.877 3.009 -1.666 57 HD21 ASN 514 1HD2 ASN 514 -9.847 2.733 -0.269 58 HD22 ASN 514 2HD2 ASN 514 -11.026 3.994 -0.325 59 H LEU 515 H LEU 515 -7.954 3.307 2.578 60 HA LEU 515 HA LEU 515 -8.426 6.154 3.045 61 HB2 LEU 515 2HB LEU 515 -9.314 3.733 4.618 62 HB3 LEU 515 1HB LEU 515 -9.741 5.393 4.989 63 HG LEU 515 HG LEU 515 -11.635 4.666 3.887 64 HD11 LEU 515 1HD1 LEU 515 -9.858 5.722 1.687 65 HD12 LEU 515 2HD1 LEU 515 -10.850 6.676 2.791 66 HD13 LEU 515 3HD1 LEU 515 -11.618 5.612 1.612 67 HD21 LEU 515 3HD2 LEU 515 -10.822 2.455 3.298 68 HD22 LEU 515 1HD2 LEU 515 -9.860 3.134 1.986 69 HD23 LEU 515 2HD2 LEU 515 -11.622 3.197 1.912 70 H HIS 516 H HIS 516 -5.794 5.306 2.964 71 HA HIS 516 HA HIS 516 -4.686 6.445 5.236 72 HB2 HIS 516 2HB HIS 516 -5.518 4.291 6.286 73 HB3 HIS 516 1HB HIS 516 -4.355 3.441 5.275 74 HD1 HIS 516 1HD HIS 516 -2.765 2.643 7.050 75 HD2 HIS 516 2HD HIS 516 -3.516 6.723 7.286 76 HE1 HIS 516 1HE HIS 516 -1.141 3.528 8.754 77 HE2 HIS 516 2HE HIS 516 -1.636 5.994 8.907 78 H TYR 517 H TYR 517 -4.359 4.151 2.625 79 HA TYR 517 HA TYR 517 -1.727 3.806 2.207 80 HB2 TYR 517 2HB TYR 517 -2.193 3.445 -0.067 81 HB3 TYR 517 1HB TYR 517 -3.729 3.141 0.728 82 HD1 TYR 517 1HD TYR 517 -5.117 5.512 1.024 83 HD2 TYR 517 2HD TYR 517 -2.386 4.544 -2.089 84 HE1 TYR 517 1HE TYR 517 -6.227 7.141 -0.445 85 HE2 TYR 517 2HE TYR 517 -3.482 6.175 -3.565 86 HH TYR 517 HH TYR 517 -4.950 8.419 -3.064 87 H TRP 518 H TRP 518 -3.483 6.787 1.547 88 HA TRP 518 HA TRP 518 -1.370 8.195 0.300 89 HB2 TRP 518 2HB TRP 518 -2.784 10.222 1.042 90 HB3 TRP 518 1HB TRP 518 -3.538 9.064 -0.051 91 HD1 TRP 518 HD TRP 518 -3.267 8.140 3.625 92 HE1 TRP 518 1HE TRP 518 -5.609 8.136 4.669 93 HE3 TRP 518 3HE TRP 518 -5.874 10.189 -0.257 94 HZ2 TRP 518 2HZ TRP 518 -8.233 8.909 3.944 95 HZ3 TRP 518 3HZ TRP 518 -8.300 10.526 -0.004 96 HH2 TRP 518 HH TRP 518 -9.454 9.897 2.054 97 H THR 519 H THR 519 0.420 7.669 1.716 98 HA THR 519 HA THR 519 0.914 9.720 3.636 99 HB THR 519 HB THR 519 -0.412 8.415 5.098 100 HG1 THR 519 1HG THR 519 2.259 7.633 5.607 101 HG21 THR 519 3HG2 THR 519 0.022 6.277 3.577 102 HG22 THR 519 1HG2 THR 519 -0.574 6.185 5.237 103 HG23 THR 519 2HG2 THR 519 1.140 5.929 4.897 104 H THR 520 H THR 520 1.854 6.376 2.927 105 HA THR 520 HA THR 520 4.614 7.309 2.533 106 HB THR 520 HB THR 520 4.345 5.962 4.618 107 HG1 THR 520 1HG THR 520 6.288 5.938 3.274 108 HG21 THR 520 3HG2 THR 520 2.982 4.141 2.831 109 HG22 THR 520 1HG2 THR 520 3.014 4.192 4.593 110 HG23 THR 520 2HG2 THR 520 4.296 3.361 3.712 111 H GLN 521 H GLN 521 1.893 6.007 1.135 112 HA GLN 521 HA GLN 521 3.365 4.445 -0.814 113 HB2 GLN 521 2HB GLN 521 1.446 3.293 -1.251 114 HB3 GLN 521 1HB GLN 521 1.044 3.850 0.367 115 HG2 GLN 521 2HG GLN 521 -0.864 4.290 -0.860 116 HG3 GLN 521 1HG GLN 521 -0.049 5.849 -0.799 117 HE21 GLN 521 1HE2 GLN 521 -0.570 6.816 -2.627 118 HE22 GLN 521 2HE2 GLN 521 -0.374 6.154 -4.210 119 H ASP 522 H ASP 522 1.334 7.246 -0.532 120 HA ASP 522 HA ASP 522 1.596 7.920 -3.338 121 HB2 ASP 522 2HB ASP 522 -0.356 8.411 -1.479 122 HB3 ASP 522 1HB ASP 522 0.477 9.959 -1.551 123 H GLU 523 H GLU 523 3.596 8.092 -0.863 124 HA GLU 523 HA GLU 523 4.980 10.456 -1.893 125 HB2 GLU 523 2HB GLU 523 5.176 9.915 1.025 126 HB3 GLU 523 1HB GLU 523 5.243 11.446 0.162 127 HG2 GLU 523 2HG GLU 523 2.708 10.889 -0.303 128 HG3 GLU 523 1HG GLU 523 2.897 9.929 1.166 129 H GLY 524 H GLY 524 4.980 7.311 -0.509 130 HA2 GLY 524 2HA GLY 524 7.902 7.143 -0.828 131 HA3 GLY 524 1HA GLY 524 6.980 6.179 0.318 132 H ALA 525 H ALA 525 4.808 5.815 -1.707 133 HA ALA 525 HA ALA 525 6.133 3.696 -3.250 134 HB1 ALA 525 1HB ALA 525 3.190 3.919 -2.629 135 HB2 ALA 525 2HB ALA 525 4.340 3.046 -1.618 136 HB3 ALA 525 3HB ALA 525 4.051 2.521 -3.278 137 H ALA 526 H ALA 526 5.812 6.599 -3.867 138 HA ALA 526 HA ALA 526 4.759 6.261 -6.580 139 HB1 ALA 526 1HB ALA 526 2.918 7.271 -5.543 140 HB2 ALA 526 2HB ALA 526 3.764 8.592 -6.349 141 HB3 ALA 526 3HB ALA 526 3.940 8.365 -4.608 142 H ILE 527 H ILE 527 7.270 7.199 -4.653 143 HA ILE 527 HA ILE 527 8.553 8.624 -6.834 144 HB ILE 527 HB ILE 527 9.415 10.124 -4.716 145 HG12 ILE 527 2HG1 ILE 527 7.331 8.937 -3.552 146 HG13 ILE 527 1HG1 ILE 527 7.764 10.606 -3.200 147 HG21 ILE 527 1HG2 ILE 527 7.151 10.762 -6.600 148 HG22 ILE 527 2HG2 ILE 527 8.872 10.945 -6.939 149 HG23 ILE 527 3HG2 ILE 527 8.107 11.940 -5.700 150 HD11 ILE 527 3HD1 ILE 527 5.291 9.879 -3.747 151 HD12 ILE 527 1HD1 ILE 527 5.847 10.105 -5.407 152 HD13 ILE 527 2HD1 ILE 527 5.933 11.441 -4.258 153 H GLY 528 H GLY 528 8.788 7.208 -3.600 154 HA2 GLY 528 2HA GLY 528 11.628 7.087 -3.549 155 HA3 GLY 528 1HA GLY 528 10.536 6.199 -2.498 156 H LEU 529 H LEU 529 10.254 4.054 -2.833 157 HA LEU 529 HA LEU 529 11.061 2.927 -5.400 158 HB2 LEU 529 2HB LEU 529 12.674 2.825 -3.057 159 HB3 LEU 529 1HB LEU 529 12.111 1.203 -3.407 160 HG LEU 529 HG LEU 529 12.978 1.503 -5.750 161 HD11 LEU 529 1HD1 LEU 529 13.325 3.668 -6.270 162 HD12 LEU 529 2HD1 LEU 529 14.918 3.358 -5.580 163 HD13 LEU 529 3HD1 LEU 529 13.669 4.126 -4.602 164 HD21 LEU 529 3HD2 LEU 529 14.204 0.235 -4.063 165 HD22 LEU 529 1HD2 LEU 529 14.977 1.717 -3.501 166 HD23 LEU 529 2HD2 LEU 529 15.307 1.111 -5.124 167 H ALA 530 H ALA 530 8.896 2.443 -5.716 168 HA ALA 530 HA ALA 530 7.845 0.223 -4.075 169 HB1 ALA 530 1HB ALA 530 6.037 1.487 -3.755 170 HB2 ALA 530 2HB ALA 530 5.696 1.312 -5.475 171 HB3 ALA 530 3HB ALA 530 6.612 2.702 -4.896 172 H TRP 531 H TRP 531 8.749 1.384 -7.138 173 HA TRP 531 HA TRP 531 7.357 -0.447 -8.810 174 HB2 TRP 531 2HB TRP 531 9.606 0.376 -10.221 175 HB3 TRP 531 1HB TRP 531 8.044 1.188 -10.212 176 HD1 TRP 531 HD TRP 531 11.478 1.370 -8.479 177 HE1 TRP 531 1HE TRP 531 11.785 3.742 -7.544 178 HE3 TRP 531 3HE TRP 531 6.861 3.276 -9.566 179 HZ2 TRP 531 2HZ TRP 531 10.277 6.123 -7.312 180 HZ3 TRP 531 3HZ TRP 531 6.371 5.607 -8.952 181 HH2 TRP 531 HH TRP 531 8.043 7.001 -7.844 182 H ILE 532 H ILE 532 9.918 -0.841 -6.669 183 HA ILE 532 HA ILE 532 11.183 -2.968 -8.216 184 HB ILE 532 HB ILE 532 12.969 -2.945 -6.714 185 HG12 ILE 532 2HG1 ILE 532 11.661 -3.081 -4.621 186 HG13 ILE 532 1HG1 ILE 532 12.955 -1.894 -4.514 187 HG21 ILE 532 1HG2 ILE 532 11.903 -0.148 -7.018 188 HG22 ILE 532 2HG2 ILE 532 13.061 -0.991 -8.047 189 HG23 ILE 532 3HG2 ILE 532 13.521 -0.510 -6.414 190 HD11 ILE 532 3HD1 ILE 532 10.011 -1.472 -4.647 191 HD12 ILE 532 1HD1 ILE 532 11.112 -0.206 -5.193 192 HD13 ILE 532 2HD1 ILE 532 11.199 -0.795 -3.533 193 HA PRO 533 HA PRO 533 8.792 -5.990 -5.989 194 HB2 PRO 533 2HB PRO 533 9.669 -8.174 -7.230 195 HB3 PRO 533 1HB PRO 533 8.716 -6.959 -8.090 196 HG2 PRO 533 2HG PRO 533 11.667 -7.432 -8.131 197 HG3 PRO 533 1HG PRO 533 10.580 -7.015 -9.467 198 HD2 PRO 533 2HD PRO 533 12.185 -5.217 -8.079 199 HD3 PRO 533 1HD PRO 533 10.771 -4.783 -9.057 200 H TYR 534 H TYR 534 11.560 -5.125 -4.884 201 HA TYR 534 HA TYR 534 11.993 -7.611 -3.370 202 HB2 TYR 534 2HB TYR 534 14.426 -6.882 -3.173 203 HB3 TYR 534 1HB TYR 534 13.906 -7.516 -4.728 204 HD1 TYR 534 1HD TYR 534 14.445 -4.304 -2.915 205 HD2 TYR 534 2HD TYR 534 14.325 -6.305 -6.667 206 HE1 TYR 534 1HE TYR 534 15.314 -2.284 -4.014 207 HE2 TYR 534 2HE TYR 534 15.192 -4.290 -7.777 208 HH TYR 534 HH TYR 534 16.646 -1.806 -6.203 209 H PHE 535 H PHE 535 10.805 -4.633 -3.092 210 HA PHE 535 HA PHE 535 12.046 -3.982 -0.527 211 HB2 PHE 535 2HB PHE 535 10.612 -2.492 -2.589 212 HB3 PHE 535 1HB PHE 535 10.045 -2.117 -0.967 213 HD1 PHE 535 2HD PHE 535 13.294 -2.619 -2.733 214 HD2 PHE 535 1HD PHE 535 11.054 -0.359 0.089 215 HE1 PHE 535 2HE PHE 535 15.216 -1.116 -2.422 216 HE2 PHE 535 1HE PHE 535 12.972 1.150 0.409 217 HZ PHE 535 HZ PHE 535 15.057 0.772 -0.847 218 H GLY 536 H GLY 536 10.122 -6.285 -1.083 219 HA2 GLY 536 2HA GLY 536 7.608 -5.910 -0.049 220 HA3 GLY 536 1HA GLY 536 8.525 -7.391 0.137 221 HA PRO 537 HA PRO 537 8.169 -6.460 4.482 222 HB2 PRO 537 2HB PRO 537 9.562 -8.547 5.454 223 HB3 PRO 537 1HB PRO 537 7.958 -8.743 4.738 224 HG2 PRO 537 2HG PRO 537 10.649 -9.241 3.523 225 HG3 PRO 537 1HG PRO 537 9.178 -10.228 3.426 226 HD2 PRO 537 2HD PRO 537 9.980 -8.530 1.446 227 HD3 PRO 537 1HD PRO 537 8.280 -8.943 1.748 228 H ALA 538 H ALA 538 10.954 -6.196 2.642 229 HA ALA 538 HA ALA 538 12.858 -5.828 4.755 230 HB1 ALA 538 1HB ALA 538 13.812 -6.539 2.749 231 HB2 ALA 538 2HB ALA 538 14.233 -4.829 2.832 232 HB3 ALA 538 3HB ALA 538 12.910 -5.362 1.794 233 H ALA 539 H ALA 539 10.617 -3.804 3.026 234 HA ALA 539 HA ALA 539 11.821 -1.380 4.140 235 HB1 ALA 539 1HB ALA 539 10.009 -1.965 1.885 236 HB2 ALA 539 2HB ALA 539 11.346 -0.819 2.000 237 HB3 ALA 539 3HB ALA 539 9.784 -0.428 2.720 238 H GLU 540 H GLU 540 9.319 -3.593 4.699 239 HA GLU 540 HA GLU 540 7.166 -2.330 5.647 240 HB2 GLU 540 2HB GLU 540 6.722 -4.204 6.980 241 HB3 GLU 540 1HB GLU 540 7.734 -4.799 5.670 242 HG2 GLU 540 2HG GLU 540 9.691 -4.499 7.282 243 HG3 GLU 540 1HG GLU 540 8.466 -4.350 8.541 244 H GLY 541 H GLY 541 7.060 -0.477 6.721 245 HA2 GLY 541 2HA GLY 541 6.916 0.600 8.818 246 HA3 GLY 541 1HA GLY 541 8.255 -0.373 9.389 247 H ILE 542 H ILE 542 9.362 0.580 6.512 248 HA ILE 542 HA ILE 542 10.657 2.928 7.701 249 HB ILE 542 HB ILE 542 11.534 1.502 5.201 250 HG12 ILE 542 2HG1 ILE 542 13.079 0.977 7.631 251 HG13 ILE 542 1HG1 ILE 542 11.441 0.333 7.702 252 HG21 ILE 542 1HG2 ILE 542 13.742 2.501 5.897 253 HG22 ILE 542 2HG2 ILE 542 12.847 3.435 7.096 254 HG23 ILE 542 3HG2 ILE 542 12.511 3.653 5.379 255 HD11 ILE 542 3HD1 ILE 542 11.852 -1.234 6.165 256 HD12 ILE 542 1HD1 ILE 542 13.530 -0.976 6.645 257 HD13 ILE 542 2HD1 ILE 542 12.888 -0.179 5.208 258 H TYR 543 H TYR 543 8.792 1.879 4.916 259 HA TYR 543 HA TYR 543 7.660 4.361 4.430 260 HB2 TYR 543 2HB TYR 543 9.004 4.740 2.149 261 HB3 TYR 543 1HB TYR 543 9.485 5.484 3.667 262 HD1 TYR 543 2HD TYR 543 9.980 1.912 2.816 263 HD2 TYR 543 1HD TYR 543 11.797 5.738 3.216 264 HE1 TYR 543 2HE TYR 543 12.200 0.871 2.626 265 HE2 TYR 543 1HE TYR 543 14.021 4.708 3.026 266 HH TYR 543 HH TYR 543 14.871 2.364 1.854 267 H ILE 544 H ILE 544 8.907 2.960 1.506 268 HA ILE 544 HA ILE 544 6.462 2.483 0.352 269 HB ILE 544 HB ILE 544 8.887 0.794 -0.239 270 HG12 ILE 544 2HG1 ILE 544 8.781 3.020 -1.984 271 HG13 ILE 544 1HG1 ILE 544 8.633 3.656 -0.348 272 HG21 ILE 544 1HG2 ILE 544 6.306 1.191 -1.472 273 HG22 ILE 544 2HG2 ILE 544 7.547 -0.014 -1.816 274 HG23 ILE 544 3HG2 ILE 544 7.620 1.570 -2.585 275 HD11 ILE 544 3HD1 ILE 544 10.669 1.967 0.026 276 HD12 ILE 544 1HD1 ILE 544 10.878 3.642 -0.483 277 HD13 ILE 544 2HD1 ILE 544 10.913 2.347 -1.678 278 H GLU 545 H GLU 545 8.573 -0.191 1.352 279 HA GLU 545 HA GLU 545 8.153 -2.193 2.343 280 HB2 GLU 545 2HB GLU 545 5.346 -1.373 2.998 281 HB3 GLU 545 1HB GLU 545 6.446 -2.404 3.902 282 HG2 GLU 545 2HG GLU 545 7.501 -0.648 4.905 283 HG3 GLU 545 1HG GLU 545 7.191 0.451 3.568 284 H GLY 546 H GLY 546 6.599 -4.114 2.232 285 HA2 GLY 546 2HA GLY 546 6.047 -4.633 -0.507 286 HA3 GLY 546 1HA GLY 546 5.655 -5.686 0.844 287 H LEU 547 H LEU 547 4.596 -2.694 -0.739 288 HA LEU 547 HA LEU 547 1.825 -3.580 -0.462 289 HB2 LEU 547 2HB LEU 547 1.150 -1.334 0.341 290 HB3 LEU 547 1HB LEU 547 2.150 -2.211 1.488 291 HG LEU 547 HG LEU 547 4.115 -0.880 0.516 292 HD11 LEU 547 1HD1 LEU 547 3.323 0.111 -1.417 293 HD12 LEU 547 2HD1 LEU 547 3.244 1.433 -0.250 294 HD13 LEU 547 3HD1 LEU 547 1.779 0.549 -0.686 295 HD21 LEU 547 3HD2 LEU 547 3.764 -0.183 2.621 296 HD22 LEU 547 1HD2 LEU 547 2.016 -0.068 2.403 297 HD23 LEU 547 2HD2 LEU 547 3.064 1.235 1.838 298 H MET 548 H MET 548 3.491 -3.500 -2.757 299 HA MET 548 HA MET 548 3.127 -1.141 -4.272 300 HB2 MET 548 2HB MET 548 3.416 -3.858 -5.492 301 HB3 MET 548 1HB MET 548 3.991 -2.313 -6.095 302 HG2 MET 548 2HG MET 548 5.961 -2.663 -5.161 303 HG3 MET 548 1HG MET 548 5.202 -2.760 -3.574 304 HE1 MET 548 3HE MET 548 5.840 -6.000 -2.379 305 HE2 MET 548 1HE MET 548 4.150 -5.709 -2.791 306 HE3 MET 548 2HE MET 548 5.157 -4.381 -2.216 307 H HIS 549 H HIS 549 0.654 -1.974 -3.086 308 HA HIS 549 HA HIS 549 -0.942 -2.566 -5.485 309 HB2 HIS 549 2HB HIS 549 -2.070 -2.760 -2.715 310 HB3 HIS 549 1HB HIS 549 -2.535 -3.634 -4.171 311 HD1 HIS 549 1HD HIS 549 -1.074 -4.287 -1.064 312 HD2 HIS 549 2HD HIS 549 -0.095 -5.386 -4.950 313 HE1 HIS 549 1HE HIS 549 0.389 -6.320 -0.841 314 HE2 HIS 549 2HE HIS 549 0.879 -7.028 -3.207 315 H ASN 550 H ASN 550 -0.051 -0.240 -3.211 316 HA ASN 550 HA ASN 550 -0.626 1.929 -2.885 317 HB2 ASN 550 2HB ASN 550 -2.420 1.615 -5.297 318 HB3 ASN 550 1HB ASN 550 -1.800 3.122 -4.627 319 HD21 ASN 550 1HD2 ASN 550 0.834 2.193 -4.092 320 HD22 ASN 550 2HD2 ASN 550 1.633 1.976 -5.606 321 H GLN 551 H GLN 551 -3.285 -0.328 -3.322 322 HA GLN 551 HA GLN 551 -5.103 -0.687 -2.024 323 HB2 GLN 551 2HB GLN 551 -4.466 1.803 -0.465 324 HB3 GLN 551 1HB GLN 551 -5.452 0.432 0.018 325 HG2 GLN 551 2HG GLN 551 -3.411 -0.984 -0.089 326 HG3 GLN 551 1HG GLN 551 -2.476 0.490 -0.331 327 HE21 GLN 551 1HE2 GLN 551 -3.575 -1.660 1.917 328 HE22 GLN 551 2HE2 GLN 551 -3.421 -0.689 3.338 329 H ASP 552 H ASP 552 -7.012 -0.404 -2.759 330 HA ASP 552 HA ASP 552 -8.123 2.233 -3.228 331 HB2 ASP 552 2HB ASP 552 -8.802 1.605 -5.575 332 HB3 ASP 552 1HB ASP 552 -7.084 1.923 -5.352 333 H GLY 553 H GLY 553 -9.095 0.824 -1.289 334 HA2 GLY 553 2HA GLY 553 -11.114 0.052 -0.490 335 HA3 GLY 553 1HA GLY 553 -11.750 0.168 -2.124 336 H LEU 554 H LEU 554 -9.140 -1.763 -0.659 337 HA LEU 554 HA LEU 554 -10.288 -4.139 -1.941 338 HB2 LEU 554 2HB LEU 554 -7.607 -4.033 -0.602 339 HB3 LEU 554 1HB LEU 554 -8.160 -5.119 -1.863 340 HG LEU 554 HG LEU 554 -7.393 -2.219 -2.151 341 HD11 LEU 554 1HD1 LEU 554 -5.670 -3.026 -3.580 342 HD12 LEU 554 2HD1 LEU 554 -6.323 -4.664 -3.543 343 HD13 LEU 554 3HD1 LEU 554 -5.605 -3.967 -2.090 344 HD21 LEU 554 3HD2 LEU 554 -7.929 -2.544 -4.567 345 HD22 LEU 554 1HD2 LEU 554 -9.339 -2.515 -3.509 346 HD23 LEU 554 2HD2 LEU 554 -8.736 -4.050 -4.131 347 H ILE 555 H ILE 555 -9.449 -2.768 1.152 348 HA ILE 555 HA ILE 555 -10.408 -5.209 2.482 349 HB ILE 555 HB ILE 555 -9.317 -3.705 4.504 350 HG12 ILE 555 2HG1 ILE 555 -8.398 -2.163 2.704 351 HG13 ILE 555 1HG1 ILE 555 -7.219 -2.816 3.834 352 HG21 ILE 555 1HG2 ILE 555 -7.472 -5.330 4.432 353 HG22 ILE 555 2HG2 ILE 555 -8.000 -5.829 2.825 354 HG23 ILE 555 3HG2 ILE 555 -9.050 -6.086 4.218 355 HD11 ILE 555 3HD1 ILE 555 -6.127 -3.944 2.233 356 HD12 ILE 555 1HD1 ILE 555 -6.916 -2.796 1.153 357 HD13 ILE 555 2HD1 ILE 555 -7.609 -4.400 1.393 358 H CYS 556 H CYS 556 -11.060 -1.888 1.918 359 HA CYS 556 HA CYS 556 -13.062 -1.794 4.053 360 HB2 CYS 556 2HB CYS 556 -11.332 0.123 3.391 361 HB3 CYS 556 1HB CYS 556 -12.583 0.520 2.227 362 H GLY 557 H GLY 557 -13.307 -3.436 1.652 363 HA2 GLY 557 2HA GLY 557 -15.926 -3.325 1.064 364 HA3 GLY 557 1HA GLY 557 -15.241 -2.130 -0.026 365 H LEU 558 H LEU 558 -16.435 -4.942 -0.235 366 HA LEU 558 HA LEU 558 -14.269 -6.353 -1.594 367 HB2 LEU 558 2HB LEU 558 -17.110 -7.247 -1.154 368 HB3 LEU 558 1HB LEU 558 -15.744 -8.249 -1.609 369 HG LEU 558 HG LEU 558 -14.731 -7.562 0.658 370 HD11 LEU 558 1HD1 LEU 558 -15.907 -5.989 1.725 371 HD12 LEU 558 2HD1 LEU 558 -16.995 -7.304 2.169 372 HD13 LEU 558 3HD1 LEU 558 -17.360 -6.293 0.768 373 HD21 LEU 558 3HD2 LEU 558 -15.956 -9.762 -0.107 374 HD22 LEU 558 1HD2 LEU 558 -17.178 -9.213 1.041 375 HD23 LEU 558 2HD2 LEU 558 -15.524 -9.499 1.584 376 H ARG 559 H ARG 559 -15.869 -3.913 -2.582 377 HA ARG 559 HA ARG 559 -16.017 -4.758 -5.321 378 HB2 ARG 559 2HB ARG 559 -18.479 -3.707 -5.313 379 HB3 ARG 559 1HB ARG 559 -18.179 -5.426 -5.097 380 HG2 ARG 559 2HG ARG 559 -18.229 -5.054 -2.624 381 HG3 ARG 559 1HG ARG 559 -18.727 -3.389 -2.948 382 HD2 ARG 559 2HD ARG 559 -20.380 -5.130 -4.469 383 HD3 ARG 559 1HD ARG 559 -20.329 -5.724 -2.812 384 HE ARG 559 HE ARG 559 -21.723 -3.456 -3.732 385 HH11 ARG 559 1HH1 ARG 559 -19.762 -4.518 -1.047 386 HH12 ARG 559 2HH1 ARG 559 -20.505 -3.438 0.084 387 HH21 ARG 559 1HH2 ARG 559 -22.700 -2.035 -2.246 388 HH22 ARG 559 2HH2 ARG 559 -22.174 -2.028 -0.596 389 H GLN 560 H GLN 560 -14.848 -2.650 -3.408 390 HA GLN 560 HA GLN 560 -15.881 -0.133 -4.164 391 HB2 GLN 560 2HB GLN 560 -13.088 -0.820 -3.227 392 HB3 GLN 560 1HB GLN 560 -13.787 0.791 -3.273 393 HG2 GLN 560 2HG GLN 560 -14.175 -1.394 -1.340 394 HG3 GLN 560 1HG GLN 560 -14.167 0.354 -1.095 395 HE21 GLN 560 1HE2 GLN 560 -16.071 -2.439 -1.757 396 HE22 GLN 560 2HE2 GLN 560 -17.621 -1.693 -1.642 Start of MODEL 17 1 H1 ALA 507 1HT ALA 507 -10.586 -8.097 -0.645 2 H2 ALA 507 2HT ALA 507 -12.290 -8.035 -0.442 3 H3 ALA 507 3HT ALA 507 -11.620 -8.540 -1.940 4 HA ALA 507 HA ALA 507 -12.514 -10.282 -0.395 5 HB1 ALA 507 2HB ALA 507 -10.690 -10.337 -2.371 6 HB2 ALA 507 3HB ALA 507 -11.219 -11.770 -1.490 7 HB3 ALA 507 1HB ALA 507 -9.718 -10.960 -1.037 8 H GLN 508 H GLN 508 -11.825 -8.357 1.528 9 HA GLN 508 HA GLN 508 -11.012 -9.974 3.665 10 HB2 GLN 508 2HB GLN 508 -8.851 -8.634 4.153 11 HB3 GLN 508 1HB GLN 508 -8.784 -9.957 2.996 12 HG2 GLN 508 2HG GLN 508 -8.982 -8.340 1.159 13 HG3 GLN 508 1HG GLN 508 -8.995 -7.028 2.335 14 HE21 GLN 508 1HE2 GLN 508 -7.132 -6.843 0.491 15 HE22 GLN 508 2HE2 GLN 508 -5.570 -7.259 1.099 16 HA PRO 509 HA PRO 509 -12.934 -6.346 5.454 17 HB2 PRO 509 2HB PRO 509 -13.661 -7.379 7.751 18 HB3 PRO 509 1HB PRO 509 -14.300 -8.095 6.259 19 HG2 PRO 509 2HG PRO 509 -11.965 -8.984 7.921 20 HG3 PRO 509 1HG PRO 509 -13.337 -9.957 7.348 21 HD2 PRO 509 2HD PRO 509 -10.917 -9.837 6.061 22 HD3 PRO 509 1HD PRO 509 -12.452 -10.156 5.226 23 H LYS 510 H LYS 510 -11.593 -4.747 5.968 24 HA LYS 510 HA LYS 510 -10.249 -4.760 8.525 25 HB2 LYS 510 2HB LYS 510 -8.784 -4.857 5.952 26 HB3 LYS 510 1HB LYS 510 -8.171 -3.748 7.172 27 HG2 LYS 510 2HG LYS 510 -7.687 -5.464 8.666 28 HG3 LYS 510 1HG LYS 510 -8.746 -6.607 7.840 29 HD2 LYS 510 2HD LYS 510 -6.927 -5.904 5.891 30 HD3 LYS 510 1HD LYS 510 -5.946 -5.966 7.355 31 HE2 LYS 510 2HE LYS 510 -7.715 -8.210 7.313 32 HE3 LYS 510 1HE LYS 510 -6.866 -8.117 5.771 33 HZ1 LYS 510 3HZ LYS 510 -4.771 -7.965 7.042 34 HZ2 LYS 510 1HZ LYS 510 -5.589 -9.425 7.289 35 HZ3 LYS 510 2HZ LYS 510 -5.638 -8.218 8.472 36 H CYS 511 H CYS 511 -10.523 -2.995 5.514 37 HA CYS 511 HA CYS 511 -11.272 -0.923 5.021 38 HB2 CYS 511 2HB CYS 511 -12.303 -1.276 7.698 39 HB3 CYS 511 1HB CYS 511 -11.883 0.403 7.385 40 H ASN 512 H ASN 512 -8.643 -1.379 5.185 41 HA ASN 512 HA ASN 512 -7.687 1.255 6.040 42 HB2 ASN 512 2HB ASN 512 -6.979 -0.825 7.514 43 HB3 ASN 512 1HB ASN 512 -5.803 -1.052 6.223 44 HD21 ASN 512 1HD2 ASN 512 -5.530 1.793 5.672 45 HD22 ASN 512 2HD2 ASN 512 -4.615 2.452 6.974 46 HA PRO 513 HA PRO 513 -6.166 -0.180 1.767 47 HB2 PRO 513 2HB PRO 513 -8.119 0.402 0.053 48 HB3 PRO 513 1HB PRO 513 -8.137 -1.106 0.968 49 HG2 PRO 513 2HG PRO 513 -9.630 1.438 1.505 50 HG3 PRO 513 1HG PRO 513 -10.219 -0.232 1.553 51 HD2 PRO 513 2HD PRO 513 -9.455 1.177 3.776 52 HD3 PRO 513 1HD PRO 513 -9.398 -0.591 3.650 53 H ASN 514 H ASN 514 -8.313 2.166 0.458 54 HA ASN 514 HA ASN 514 -6.135 3.991 0.097 55 HB2 ASN 514 2HB ASN 514 -7.549 5.137 -1.439 56 HB3 ASN 514 1HB ASN 514 -7.825 3.414 -1.672 57 HD21 ASN 514 1HD2 ASN 514 -9.868 2.997 -2.051 58 HD22 ASN 514 2HD2 ASN 514 -11.227 3.773 -1.321 59 H LEU 515 H LEU 515 -7.903 3.539 2.720 60 HA LEU 515 HA LEU 515 -8.423 6.372 3.246 61 HB2 LEU 515 2HB LEU 515 -9.227 3.925 4.824 62 HB3 LEU 515 1HB LEU 515 -9.683 5.577 5.200 63 HG LEU 515 HG LEU 515 -11.569 4.643 4.144 64 HD11 LEU 515 1HD1 LEU 515 -11.062 6.853 3.308 65 HD12 LEU 515 2HD1 LEU 515 -11.732 5.867 2.007 66 HD13 LEU 515 3HD1 LEU 515 -9.995 6.176 2.075 67 HD21 LEU 515 3HD2 LEU 515 -11.513 2.954 2.677 68 HD22 LEU 515 1HD2 LEU 515 -9.774 2.899 2.969 69 HD23 LEU 515 2HD2 LEU 515 -10.410 3.819 1.607 70 H HIS 516 H HIS 516 -5.803 5.619 3.053 71 HA HIS 516 HA HIS 516 -4.612 6.714 5.286 72 HB2 HIS 516 2HB HIS 516 -5.438 4.180 5.962 73 HB3 HIS 516 1HB HIS 516 -3.775 3.901 5.458 74 HD1 HIS 516 1HD HIS 516 -4.962 3.758 8.439 75 HD2 HIS 516 2HD HIS 516 -2.677 6.817 6.801 76 HE1 HIS 516 1HE HIS 516 -3.888 4.915 10.395 77 HE2 HIS 516 2HE HIS 516 -2.578 6.815 9.385 78 H TYR 517 H TYR 517 -4.386 4.418 2.670 79 HA TYR 517 HA TYR 517 -1.785 4.067 2.126 80 HB2 TYR 517 2HB TYR 517 -2.355 3.741 -0.131 81 HB3 TYR 517 1HB TYR 517 -3.853 3.436 0.733 82 HD1 TYR 517 2HD TYR 517 -5.241 5.782 1.107 83 HD2 TYR 517 1HD TYR 517 -2.603 4.898 -2.107 84 HE1 TYR 517 2HE TYR 517 -6.407 7.436 -0.290 85 HE2 TYR 517 1HE TYR 517 -3.754 6.552 -3.515 86 HH TYR 517 HH TYR 517 -5.530 8.905 -2.514 87 H TRP 518 H TRP 518 -3.541 7.070 1.534 88 HA TRP 518 HA TRP 518 -1.451 8.463 0.233 89 HB2 TRP 518 2HB TRP 518 -2.821 10.501 1.023 90 HB3 TRP 518 1HB TRP 518 -3.622 9.354 -0.049 91 HD1 TRP 518 HD TRP 518 -3.246 8.408 3.611 92 HE1 TRP 518 1HE TRP 518 -5.553 8.426 4.728 93 HE3 TRP 518 3HE TRP 518 -5.946 10.515 -0.173 94 HZ2 TRP 518 2HZ TRP 518 -8.189 9.238 4.093 95 HZ3 TRP 518 3HZ TRP 518 -8.359 10.881 0.158 96 HH2 TRP 518 HH TRP 518 -9.456 10.253 2.248 97 H THR 519 H THR 519 0.369 7.902 1.597 98 HA THR 519 HA THR 519 0.944 9.936 3.514 99 HB THR 519 HB THR 519 -0.345 8.629 5.007 100 HG1 THR 519 1HG THR 519 1.620 9.228 5.925 101 HG21 THR 519 3HG2 THR 519 1.172 6.127 4.710 102 HG22 THR 519 1HG2 THR 519 0.000 6.506 3.447 103 HG23 THR 519 2HG2 THR 519 -0.521 6.395 5.130 104 H THR 520 H THR 520 1.827 6.591 2.755 105 HA THR 520 HA THR 520 4.584 7.494 2.289 106 HB THR 520 HB THR 520 4.317 6.114 4.368 107 HG1 THR 520 1HG THR 520 6.314 5.994 3.573 108 HG21 THR 520 3HG2 THR 520 2.562 4.586 3.566 109 HG22 THR 520 1HG2 THR 520 3.971 3.744 4.212 110 HG23 THR 520 2HG2 THR 520 3.733 3.858 2.467 111 H GLN 521 H GLN 521 1.813 6.273 0.939 112 HA GLN 521 HA GLN 521 3.211 4.712 -1.065 113 HB2 GLN 521 2HB GLN 521 1.251 3.609 -1.500 114 HB3 GLN 521 1HB GLN 521 0.933 4.091 0.158 115 HG2 GLN 521 2HG GLN 521 -1.022 4.646 -0.921 116 HG3 GLN 521 1HG GLN 521 -0.154 6.178 -0.890 117 HE21 GLN 521 1HE2 GLN 521 -0.674 7.203 -2.677 118 HE22 GLN 521 2HE2 GLN 521 -0.621 6.552 -4.275 119 H ASP 522 H ASP 522 1.265 7.557 -0.668 120 HA ASP 522 HA ASP 522 1.490 8.283 -3.474 121 HB2 ASP 522 2HB ASP 522 -0.415 8.791 -1.511 122 HB3 ASP 522 1HB ASP 522 0.394 10.338 -1.732 123 H GLU 523 H GLU 523 3.499 8.375 -1.007 124 HA GLU 523 HA GLU 523 4.897 10.757 -1.973 125 HB2 GLU 523 2HB GLU 523 5.049 10.130 0.937 126 HB3 GLU 523 1HB GLU 523 5.192 11.681 0.116 127 HG2 GLU 523 2HG GLU 523 2.654 11.229 -0.423 128 HG3 GLU 523 1HG GLU 523 2.770 10.223 1.024 129 H GLY 524 H GLY 524 4.870 7.581 -0.675 130 HA2 GLY 524 2HA GLY 524 7.793 7.397 -0.989 131 HA3 GLY 524 1HA GLY 524 6.859 6.409 0.127 132 H ALA 525 H ALA 525 4.681 6.129 -1.905 133 HA ALA 525 HA ALA 525 5.979 4.031 -3.493 134 HB1 ALA 525 1HB ALA 525 4.127 3.400 -1.906 135 HB2 ALA 525 2HB ALA 525 3.892 2.890 -3.578 136 HB3 ALA 525 3HB ALA 525 3.027 4.295 -2.952 137 H ALA 526 H ALA 526 5.720 6.959 -4.022 138 HA ALA 526 HA ALA 526 4.737 6.722 -6.773 139 HB1 ALA 526 1HB ALA 526 2.919 7.804 -5.783 140 HB2 ALA 526 2HB ALA 526 3.870 9.111 -6.490 141 HB3 ALA 526 3HB ALA 526 3.957 8.794 -4.756 142 H ILE 527 H ILE 527 7.232 7.492 -4.750 143 HA ILE 527 HA ILE 527 8.670 8.865 -6.854 144 HB ILE 527 HB ILE 527 9.493 10.352 -4.727 145 HG12 ILE 527 2HG1 ILE 527 7.314 9.238 -3.632 146 HG13 ILE 527 1HG1 ILE 527 7.840 10.869 -3.238 147 HG21 ILE 527 1HG2 ILE 527 9.096 11.257 -6.900 148 HG22 ILE 527 2HG2 ILE 527 8.147 12.188 -5.742 149 HG23 ILE 527 3HG2 ILE 527 7.361 10.979 -6.757 150 HD11 ILE 527 3HD1 ILE 527 5.346 10.363 -3.809 151 HD12 ILE 527 1HD1 ILE 527 5.918 10.467 -5.476 152 HD13 ILE 527 2HD1 ILE 527 6.114 11.842 -4.388 153 H GLY 528 H GLY 528 8.690 7.501 -3.584 154 HA2 GLY 528 2HA GLY 528 11.508 7.261 -3.370 155 HA3 GLY 528 1HA GLY 528 10.323 6.413 -2.390 156 H LEU 529 H LEU 529 10.671 4.297 -2.450 157 HA LEU 529 HA LEU 529 11.279 3.084 -5.060 158 HB2 LEU 529 2HB LEU 529 13.028 3.248 -2.908 159 HB3 LEU 529 1HB LEU 529 12.409 1.610 -2.831 160 HG LEU 529 HG LEU 529 13.112 1.242 -5.164 161 HD11 LEU 529 1HD1 LEU 529 14.813 3.631 -5.234 162 HD12 LEU 529 2HD1 LEU 529 13.085 3.944 -5.403 163 HD13 LEU 529 3HD1 LEU 529 13.897 2.846 -6.521 164 HD21 LEU 529 3HD2 LEU 529 15.676 1.736 -4.590 165 HD22 LEU 529 1HD2 LEU 529 14.765 0.418 -3.854 166 HD23 LEU 529 2HD2 LEU 529 14.982 1.935 -2.981 167 H ALA 530 H ALA 530 9.077 2.554 -5.261 168 HA ALA 530 HA ALA 530 8.234 0.283 -3.575 169 HB1 ALA 530 1HB ALA 530 5.976 0.970 -3.717 170 HB2 ALA 530 2HB ALA 530 6.354 2.201 -4.922 171 HB3 ALA 530 3HB ALA 530 6.906 2.395 -3.259 172 H TRP 531 H TRP 531 9.392 1.088 -6.452 173 HA TRP 531 HA TRP 531 7.725 -0.716 -8.054 174 HB2 TRP 531 2HB TRP 531 9.597 0.336 -9.774 175 HB3 TRP 531 1HB TRP 531 8.000 1.023 -9.499 176 HD1 TRP 531 HD TRP 531 11.563 1.386 -8.024 177 HE1 TRP 531 1HE TRP 531 11.865 3.820 -7.278 178 HE3 TRP 531 3HE TRP 531 6.900 3.155 -9.138 179 HZ2 TRP 531 2HZ TRP 531 10.332 6.203 -7.191 180 HZ3 TRP 531 3HZ TRP 531 6.396 5.521 -8.692 181 HH2 TRP 531 HH TRP 531 8.074 7.014 -7.736 182 H ILE 532 H ILE 532 9.753 -1.401 -5.936 183 HA ILE 532 HA ILE 532 11.330 -3.242 -7.585 184 HB ILE 532 HB ILE 532 13.345 -2.850 -6.432 185 HG12 ILE 532 2HG1 ILE 532 12.513 -2.687 -4.146 186 HG13 ILE 532 1HG1 ILE 532 13.547 -1.310 -4.507 187 HG21 ILE 532 1HG2 ILE 532 12.558 -1.079 -8.083 188 HG22 ILE 532 2HG2 ILE 532 13.874 -0.635 -6.997 189 HG23 ILE 532 3HG2 ILE 532 12.237 -0.065 -6.674 190 HD11 ILE 532 3HD1 ILE 532 11.166 -0.264 -5.149 191 HD12 ILE 532 1HD1 ILE 532 11.872 -0.174 -3.536 192 HD13 ILE 532 2HD1 ILE 532 10.671 -1.410 -3.904 193 HA PRO 533 HA PRO 533 9.623 -5.934 -4.412 194 HB2 PRO 533 2HB PRO 533 10.179 -8.234 -5.924 195 HB3 PRO 533 1HB PRO 533 8.668 -7.329 -5.914 196 HG2 PRO 533 2HG PRO 533 10.484 -7.577 -8.062 197 HG3 PRO 533 1HG PRO 533 9.079 -6.506 -7.974 198 HD2 PRO 533 2HD PRO 533 11.951 -5.899 -7.550 199 HD3 PRO 533 1HD PRO 533 10.639 -4.846 -8.119 200 H TYR 534 H TYR 534 12.681 -5.250 -4.973 201 HA TYR 534 HA TYR 534 14.232 -7.467 -4.367 202 HB2 TYR 534 2HB TYR 534 15.302 -5.492 -5.139 203 HB3 TYR 534 1HB TYR 534 14.625 -4.526 -3.834 204 HD1 TYR 534 1HD TYR 534 16.161 -7.849 -3.340 205 HD2 TYR 534 2HD TYR 534 16.685 -3.637 -3.040 206 HE1 TYR 534 1HE TYR 534 18.204 -8.202 -2.018 207 HE2 TYR 534 2HE TYR 534 18.727 -3.978 -1.718 208 HH TYR 534 HH TYR 534 20.351 -6.847 -1.546 209 H PHE 535 H PHE 535 12.556 -5.233 -2.185 210 HA PHE 535 HA PHE 535 13.325 -6.993 0.052 211 HB2 PHE 535 2HB PHE 535 12.511 -4.708 1.295 212 HB3 PHE 535 1HB PHE 535 14.184 -5.091 0.904 213 HD1 PHE 535 1HD PHE 535 15.048 -4.284 -1.387 214 HD2 PHE 535 2HD PHE 535 11.551 -2.760 0.497 215 HE1 PHE 535 1HE PHE 535 15.198 -2.249 -2.766 216 HE2 PHE 535 2HE PHE 535 11.694 -0.723 -0.876 217 HZ PHE 535 HZ PHE 535 13.520 -0.466 -2.507 218 H GLY 536 H GLY 536 10.688 -5.092 -1.351 219 HA2 GLY 536 2HA GLY 536 8.412 -5.182 -1.024 220 HA3 GLY 536 1HA GLY 536 8.674 -6.907 -0.823 221 HA PRO 537 HA PRO 537 7.081 -6.212 3.287 222 HB2 PRO 537 2HB PRO 537 7.526 -8.675 4.310 223 HB3 PRO 537 1HB PRO 537 6.237 -8.349 3.146 224 HG2 PRO 537 2HG PRO 537 8.955 -9.518 2.684 225 HG3 PRO 537 1HG PRO 537 7.391 -10.032 2.026 226 HD2 PRO 537 2HD PRO 537 9.158 -8.529 0.617 227 HD3 PRO 537 1HD PRO 537 7.402 -8.409 0.395 228 H ALA 538 H ALA 538 10.294 -6.632 2.471 229 HA ALA 538 HA ALA 538 11.376 -6.865 5.131 230 HB1 ALA 538 1HB ALA 538 12.506 -6.658 2.385 231 HB2 ALA 538 2HB ALA 538 12.824 -7.842 3.653 232 HB3 ALA 538 3HB ALA 538 13.532 -6.230 3.754 233 H ALA 539 H ALA 539 10.444 -4.340 2.964 234 HA ALA 539 HA ALA 539 11.975 -2.271 4.264 235 HB1 ALA 539 1HB ALA 539 10.190 -0.883 2.852 236 HB2 ALA 539 2HB ALA 539 10.053 -2.431 2.017 237 HB3 ALA 539 3HB ALA 539 11.616 -1.615 2.112 238 H GLU 540 H GLU 540 9.178 -3.974 4.864 239 HA GLU 540 HA GLU 540 7.236 -2.421 5.798 240 HB2 GLU 540 2HB GLU 540 6.570 -4.218 7.155 241 HB3 GLU 540 1HB GLU 540 7.479 -4.933 5.824 242 HG2 GLU 540 2HG GLU 540 9.479 -4.938 7.365 243 HG3 GLU 540 1HG GLU 540 8.357 -4.552 8.671 244 H GLY 541 H GLY 541 7.429 -0.531 6.821 245 HA2 GLY 541 2HA GLY 541 7.409 0.380 9.083 246 HA3 GLY 541 1HA GLY 541 8.877 -0.529 9.389 247 H ILE 542 H ILE 542 9.453 0.535 6.406 248 HA ILE 542 HA ILE 542 10.792 2.935 7.432 249 HB ILE 542 HB ILE 542 11.361 1.703 4.757 250 HG12 ILE 542 2HG1 ILE 542 13.143 0.963 6.986 251 HG13 ILE 542 1HG1 ILE 542 11.550 0.214 7.033 252 HG21 ILE 542 1HG2 ILE 542 12.575 3.605 4.772 253 HG22 ILE 542 2HG2 ILE 542 13.703 2.623 5.707 254 HG23 ILE 542 3HG2 ILE 542 12.587 3.712 6.533 255 HD11 ILE 542 3HD1 ILE 542 13.731 -0.099 5.044 256 HD12 ILE 542 1HD1 ILE 542 12.055 -0.317 4.534 257 HD13 ILE 542 2HD1 ILE 542 12.723 -1.318 5.825 258 H TYR 543 H TYR 543 8.516 1.854 4.993 259 HA TYR 543 HA TYR 543 7.313 4.350 4.712 260 HB2 TYR 543 2HB TYR 543 8.193 4.634 2.194 261 HB3 TYR 543 1HB TYR 543 8.960 5.420 3.567 262 HD1 TYR 543 1HD TYR 543 9.231 1.823 2.693 263 HD2 TYR 543 2HD TYR 543 11.165 5.613 2.751 264 HE1 TYR 543 1HE TYR 543 11.361 0.738 2.121 265 HE2 TYR 543 2HE TYR 543 13.301 4.538 2.179 266 HH TYR 543 HH TYR 543 13.499 1.268 1.158 267 H ILE 544 H ILE 544 7.925 2.868 1.630 268 HA ILE 544 HA ILE 544 5.198 2.265 1.254 269 HB ILE 544 HB ILE 544 7.353 1.002 -0.403 270 HG12 ILE 544 2HG1 ILE 544 6.700 3.434 -1.617 271 HG13 ILE 544 1HG1 ILE 544 6.967 3.843 0.074 272 HG21 ILE 544 1HG2 ILE 544 5.446 1.968 -2.073 273 HG22 ILE 544 2HG2 ILE 544 4.493 1.614 -0.638 274 HG23 ILE 544 3HG2 ILE 544 5.451 0.340 -1.398 275 HD11 ILE 544 3HD1 ILE 544 9.133 3.887 -0.368 276 HD12 ILE 544 1HD1 ILE 544 8.869 3.232 -1.984 277 HD13 ILE 544 2HD1 ILE 544 9.065 2.141 -0.612 278 H GLU 545 H GLU 545 8.008 0.170 1.799 279 HA GLU 545 HA GLU 545 8.160 -1.889 2.764 280 HB2 GLU 545 2HB GLU 545 5.178 -1.875 3.202 281 HB3 GLU 545 1HB GLU 545 6.416 -2.731 4.116 282 HG2 GLU 545 2HG GLU 545 7.237 -0.632 5.017 283 HG3 GLU 545 1HG GLU 545 6.061 0.261 4.057 284 H GLY 546 H GLY 546 5.511 -3.635 2.453 285 HA2 GLY 546 2HA GLY 546 6.287 -4.619 -0.198 286 HA3 GLY 546 1HA GLY 546 5.411 -5.533 1.022 287 H LEU 547 H LEU 547 4.508 -2.279 0.377 288 HA LEU 547 HA LEU 547 1.987 -3.224 -0.761 289 HB2 LEU 547 2HB LEU 547 1.013 -1.248 -0.015 290 HB3 LEU 547 1HB LEU 547 2.191 -1.597 1.243 291 HG LEU 547 HG LEU 547 3.736 -0.097 -0.215 292 HD11 LEU 547 1HD1 LEU 547 1.468 0.063 -1.747 293 HD12 LEU 547 2HD1 LEU 547 2.833 1.177 -1.805 294 HD13 LEU 547 3HD1 LEU 547 1.421 1.563 -0.819 295 HD21 LEU 547 3HD2 LEU 547 3.503 1.436 1.422 296 HD22 LEU 547 1HD2 LEU 547 2.414 0.239 2.121 297 HD23 LEU 547 2HD2 LEU 547 1.762 1.582 1.180 298 H MET 548 H MET 548 1.647 -3.074 -2.818 299 HA MET 548 HA MET 548 2.961 -0.999 -4.407 300 HB2 MET 548 2HB MET 548 2.799 -3.891 -5.254 301 HB3 MET 548 1HB MET 548 3.519 -2.571 -6.167 302 HG2 MET 548 2HG MET 548 5.458 -2.878 -5.158 303 HG3 MET 548 1HG MET 548 4.711 -2.661 -3.580 304 HE1 MET 548 3HE MET 548 2.641 -5.602 -4.071 305 HE2 MET 548 1HE MET 548 3.056 -4.513 -2.747 306 HE3 MET 548 2HE MET 548 3.531 -6.210 -2.674 307 H HIS 549 H HIS 549 0.128 -2.345 -3.472 308 HA HIS 549 HA HIS 549 -1.241 -2.154 -6.023 309 HB2 HIS 549 2HB HIS 549 -3.287 -2.587 -4.470 310 HB3 HIS 549 1HB HIS 549 -2.152 -3.896 -4.775 311 HD1 HIS 549 1HD HIS 549 -1.996 -1.083 -2.211 312 HD2 HIS 549 2HD HIS 549 -2.008 -5.232 -2.432 313 HE1 HIS 549 1HE HIS 549 -1.664 -1.883 0.150 314 HE2 HIS 549 2HE HIS 549 -1.764 -4.396 0.002 315 H ASN 550 H ASN 550 -0.389 -0.129 -3.444 316 HA ASN 550 HA ASN 550 -0.715 2.100 -3.105 317 HB2 ASN 550 2HB ASN 550 -2.353 1.842 -5.628 318 HB3 ASN 550 1HB ASN 550 -2.238 3.354 -4.739 319 HD21 ASN 550 1HD2 ASN 550 0.049 0.806 -5.719 320 HD22 ASN 550 2HD2 ASN 550 1.206 1.885 -6.406 321 H GLN 551 H GLN 551 -3.454 -0.033 -3.451 322 HA GLN 551 HA GLN 551 -5.221 -0.349 -2.075 323 HB2 GLN 551 2HB GLN 551 -4.507 2.165 -0.590 324 HB3 GLN 551 1HB GLN 551 -5.478 0.807 -0.041 325 HG2 GLN 551 2HG GLN 551 -3.417 -0.609 -0.258 326 HG3 GLN 551 1HG GLN 551 -2.516 0.890 -0.471 327 HE21 GLN 551 1HE2 GLN 551 -3.589 -1.340 1.733 328 HE22 GLN 551 2HE2 GLN 551 -3.412 -0.409 3.179 329 H ASP 552 H ASP 552 -7.153 -0.057 -2.736 330 HA ASP 552 HA ASP 552 -8.310 2.551 -3.156 331 HB2 ASP 552 2HB ASP 552 -7.465 0.815 -5.408 332 HB3 ASP 552 1HB ASP 552 -9.052 1.566 -5.545 333 H GLY 553 H GLY 553 -9.222 1.067 -1.254 334 HA2 GLY 553 2HA GLY 553 -11.199 0.203 -0.446 335 HA3 GLY 553 1HA GLY 553 -11.864 0.350 -2.065 336 H LEU 554 H LEU 554 -9.244 -1.558 -0.584 337 HA LEU 554 HA LEU 554 -10.350 -3.934 -1.919 338 HB2 LEU 554 2HB LEU 554 -7.555 -3.586 -0.848 339 HB3 LEU 554 1HB LEU 554 -8.145 -4.872 -1.886 340 HG LEU 554 HG LEU 554 -7.685 -1.987 -2.629 341 HD11 LEU 554 1HD1 LEU 554 -6.403 -4.600 -3.328 342 HD12 LEU 554 2HD1 LEU 554 -5.654 -3.101 -2.778 343 HD13 LEU 554 3HD1 LEU 554 -6.296 -3.217 -4.417 344 HD21 LEU 554 3HD2 LEU 554 -8.400 -2.813 -4.936 345 HD22 LEU 554 1HD2 LEU 554 -9.675 -2.502 -3.757 346 HD23 LEU 554 2HD2 LEU 554 -9.163 -4.157 -4.086 347 H ILE 555 H ILE 555 -9.357 -2.593 1.141 348 HA ILE 555 HA ILE 555 -10.041 -5.130 2.464 349 HB ILE 555 HB ILE 555 -8.944 -3.580 4.451 350 HG12 ILE 555 2HG1 ILE 555 -8.254 -1.956 2.614 351 HG13 ILE 555 1HG1 ILE 555 -6.972 -2.518 3.676 352 HG21 ILE 555 1HG2 ILE 555 -6.942 -5.042 4.149 353 HG22 ILE 555 2HG2 ILE 555 -7.670 -5.627 2.654 354 HG23 ILE 555 3HG2 ILE 555 -8.483 -5.898 4.194 355 HD11 ILE 555 3HD1 ILE 555 -5.914 -3.642 2.027 356 HD12 ILE 555 1HD1 ILE 555 -6.723 -2.431 1.034 357 HD13 ILE 555 2HD1 ILE 555 -7.410 -4.048 1.187 358 H CYS 556 H CYS 556 -11.040 -1.881 2.017 359 HA CYS 556 HA CYS 556 -12.661 -1.815 4.415 360 HB2 CYS 556 2HB CYS 556 -11.470 0.171 3.095 361 HB3 CYS 556 1HB CYS 556 -13.003 0.200 2.242 362 H GLY 557 H GLY 557 -13.078 -3.803 2.224 363 HA2 GLY 557 2HA GLY 557 -15.787 -4.141 2.374 364 HA3 GLY 557 1HA GLY 557 -15.512 -3.188 0.917 365 H LEU 558 H LEU 558 -15.560 -4.449 -0.784 366 HA LEU 558 HA LEU 558 -13.773 -6.714 -0.934 367 HB2 LEU 558 2HB LEU 558 -16.507 -7.364 -1.848 368 HB3 LEU 558 1HB LEU 558 -15.282 -8.398 -1.143 369 HG LEU 558 HG LEU 558 -16.786 -6.409 0.534 370 HD11 LEU 558 1HD1 LEU 558 -17.618 -9.229 -0.122 371 HD12 LEU 558 2HD1 LEU 558 -18.468 -7.749 -0.573 372 HD13 LEU 558 3HD1 LEU 558 -18.338 -8.211 1.126 373 HD21 LEU 558 3HD2 LEU 558 -14.659 -8.139 1.038 374 HD22 LEU 558 1HD2 LEU 558 -16.069 -8.936 1.735 375 HD23 LEU 558 2HD2 LEU 558 -15.648 -7.296 2.231 376 H ARG 559 H ARG 559 -16.239 -4.718 -2.469 377 HA ARG 559 HA ARG 559 -14.653 -4.758 -4.932 378 HB2 ARG 559 2HB ARG 559 -16.941 -4.675 -6.147 379 HB3 ARG 559 1HB ARG 559 -16.325 -6.227 -5.600 380 HG2 ARG 559 2HG ARG 559 -17.864 -6.378 -3.878 381 HG3 ARG 559 1HG ARG 559 -18.166 -4.640 -3.863 382 HD2 ARG 559 2HD ARG 559 -20.078 -5.540 -4.854 383 HD3 ARG 559 1HD ARG 559 -19.114 -4.974 -6.216 384 HE ARG 559 HE ARG 559 -18.469 -7.650 -5.751 385 HH11 ARG 559 1HH1 ARG 559 -21.194 -5.745 -6.809 386 HH12 ARG 559 2HH1 ARG 559 -21.859 -7.011 -7.787 387 HH21 ARG 559 1HH2 ARG 559 -19.340 -9.316 -7.037 388 HH22 ARG 559 2HH2 ARG 559 -20.806 -9.039 -7.917 389 H GLN 560 H GLN 560 -14.570 -2.803 -2.984 390 HA GLN 560 HA GLN 560 -16.258 -0.671 -3.028 391 HB2 GLN 560 2HB GLN 560 -13.238 -0.627 -3.025 392 HB3 GLN 560 1HB GLN 560 -14.233 0.778 -2.680 393 HG2 GLN 560 2HG GLN 560 -13.783 -1.675 -1.046 394 HG3 GLN 560 1HG GLN 560 -13.700 0.023 -0.571 395 HE21 GLN 560 1HE2 GLN 560 -15.871 -2.613 -1.391 396 HE22 GLN 560 2HE2 GLN 560 -17.245 -1.999 -0.545 Start of MODEL 18 1 H1 ALA 507 1HT ALA 507 -9.666 -11.941 0.195 2 H2 ALA 507 2HT ALA 507 -9.384 -10.466 -0.636 3 H3 ALA 507 3HT ALA 507 -10.724 -11.451 -1.060 4 HA ALA 507 HA ALA 507 -11.219 -9.455 0.282 5 HB1 ALA 507 2HB ALA 507 -12.685 -10.824 1.876 6 HB2 ALA 507 3HB ALA 507 -11.990 -12.239 1.087 7 HB3 ALA 507 1HB ALA 507 -12.905 -11.064 0.144 8 H GLN 508 H GLN 508 -11.521 -8.807 2.573 9 HA GLN 508 HA GLN 508 -10.008 -9.870 4.675 10 HB2 GLN 508 2HB GLN 508 -8.396 -7.752 4.689 11 HB3 GLN 508 1HB GLN 508 -7.958 -9.253 3.890 12 HG2 GLN 508 2HG GLN 508 -9.440 -7.417 2.171 13 HG3 GLN 508 1HG GLN 508 -7.909 -6.764 2.755 14 HE21 GLN 508 1HE2 GLN 508 -8.329 -7.252 0.088 15 HE22 GLN 508 2HE2 GLN 508 -7.331 -8.566 -0.423 16 HA PRO 509 HA PRO 509 -12.770 -6.800 6.430 17 HB2 PRO 509 2HB PRO 509 -13.186 -7.958 8.732 18 HB3 PRO 509 1HB PRO 509 -13.607 -8.852 7.259 19 HG2 PRO 509 2HG PRO 509 -11.125 -9.045 8.933 20 HG3 PRO 509 1HG PRO 509 -12.167 -10.364 8.362 21 HD2 PRO 509 2HD PRO 509 -9.855 -9.537 7.094 22 HD3 PRO 509 1HD PRO 509 -11.197 -10.366 6.277 23 H LYS 510 H LYS 510 -11.504 -4.967 6.669 24 HA LYS 510 HA LYS 510 -10.516 -4.457 9.323 25 HB2 LYS 510 2HB LYS 510 -8.716 -4.740 6.989 26 HB3 LYS 510 1HB LYS 510 -8.396 -3.394 8.074 27 HG2 LYS 510 2HG LYS 510 -8.048 -4.846 9.912 28 HG3 LYS 510 1HG LYS 510 -8.679 -6.231 9.020 29 HD2 LYS 510 2HD LYS 510 -6.240 -6.298 9.144 30 HD3 LYS 510 1HD LYS 510 -6.789 -6.107 7.477 31 HE2 LYS 510 2HE LYS 510 -6.384 -3.680 7.655 32 HE3 LYS 510 1HE LYS 510 -5.767 -3.922 9.289 33 HZ1 LYS 510 3HZ LYS 510 -3.887 -4.977 8.518 34 HZ2 LYS 510 1HZ LYS 510 -4.126 -3.805 7.321 35 HZ3 LYS 510 2HZ LYS 510 -4.586 -5.408 7.039 36 H CYS 511 H CYS 511 -10.871 -3.284 6.050 37 HA CYS 511 HA CYS 511 -11.769 -1.402 5.192 38 HB2 CYS 511 2HB CYS 511 -12.872 -1.458 7.867 39 HB3 CYS 511 1HB CYS 511 -12.621 0.194 7.313 40 H ASN 512 H ASN 512 -9.102 -1.535 5.551 41 HA ASN 512 HA ASN 512 -8.461 1.279 6.051 42 HB2 ASN 512 2HB ASN 512 -7.650 -0.502 7.836 43 HB3 ASN 512 1HB ASN 512 -6.377 -0.772 6.649 44 HD21 ASN 512 1HD2 ASN 512 -5.831 1.658 5.681 45 HD22 ASN 512 2HD2 ASN 512 -5.282 2.718 6.925 46 HA PRO 513 HA PRO 513 -6.689 -0.539 2.050 47 HB2 PRO 513 2HB PRO 513 -8.578 -0.040 0.229 48 HB3 PRO 513 1HB PRO 513 -8.644 -1.482 1.245 49 HG2 PRO 513 2HG PRO 513 -10.127 1.105 1.549 50 HG3 PRO 513 1HG PRO 513 -10.727 -0.551 1.715 51 HD2 PRO 513 2HD PRO 513 -10.012 1.031 3.833 52 HD3 PRO 513 1HD PRO 513 -9.968 -0.743 3.859 53 H ASN 514 H ASN 514 -8.778 1.826 0.590 54 HA ASN 514 HA ASN 514 -6.498 3.531 0.150 55 HB2 ASN 514 2HB ASN 514 -8.109 4.814 -1.311 56 HB3 ASN 514 1HB ASN 514 -7.828 3.139 -1.775 57 HD21 ASN 514 1HD2 ASN 514 -9.991 4.737 0.573 58 HD22 ASN 514 2HD2 ASN 514 -11.427 3.978 -0.001 59 H LEU 515 H LEU 515 -8.122 3.309 2.796 60 HA LEU 515 HA LEU 515 -8.753 6.154 3.103 61 HB2 LEU 515 2HB LEU 515 -9.428 3.766 4.823 62 HB3 LEU 515 1HB LEU 515 -9.805 5.423 5.256 63 HG LEU 515 HG LEU 515 -11.812 4.642 4.385 64 HD11 LEU 515 1HD1 LEU 515 -12.096 5.708 2.172 65 HD12 LEU 515 2HD1 LEU 515 -10.345 5.912 2.075 66 HD13 LEU 515 3HD1 LEU 515 -11.261 6.739 3.336 67 HD21 LEU 515 3HD2 LEU 515 -11.560 3.514 1.934 68 HD22 LEU 515 1HD2 LEU 515 -11.632 2.607 3.446 69 HD23 LEU 515 2HD2 LEU 515 -10.072 2.967 2.709 70 H HIS 516 H HIS 516 -6.098 5.394 2.868 71 HA HIS 516 HA HIS 516 -4.871 6.752 4.951 72 HB2 HIS 516 2HB HIS 516 -5.510 4.714 6.271 73 HB3 HIS 516 1HB HIS 516 -4.481 3.761 5.206 74 HD1 HIS 516 1HD HIS 516 -2.650 3.109 6.785 75 HD2 HIS 516 2HD HIS 516 -3.432 7.190 6.853 76 HE1 HIS 516 1HE HIS 516 -0.836 4.119 8.205 77 HE2 HIS 516 2HE HIS 516 -1.377 6.577 8.299 78 H TYR 517 H TYR 517 -4.654 4.279 2.503 79 HA TYR 517 HA TYR 517 -2.082 3.928 1.892 80 HB2 TYR 517 2HB TYR 517 -2.705 3.521 -0.345 81 HB3 TYR 517 1HB TYR 517 -4.153 3.201 0.594 82 HD1 TYR 517 2HD TYR 517 -5.630 5.484 0.928 83 HD2 TYR 517 1HD TYR 517 -3.054 4.613 -2.339 84 HE1 TYR 517 2HE TYR 517 -6.903 7.046 -0.481 85 HE2 TYR 517 1HE TYR 517 -4.315 6.173 -3.759 86 HH TYR 517 HH TYR 517 -6.373 8.455 -2.606 87 H TRP 518 H TRP 518 -3.857 6.893 1.131 88 HA TRP 518 HA TRP 518 -1.778 8.209 -0.258 89 HB2 TRP 518 2HB TRP 518 -3.135 10.293 0.430 90 HB3 TRP 518 1HB TRP 518 -3.955 9.085 -0.559 91 HD1 TRP 518 HD TRP 518 -3.511 8.360 3.140 92 HE1 TRP 518 1HE TRP 518 -5.798 8.438 4.299 93 HE3 TRP 518 3HE TRP 518 -6.289 10.240 -0.707 94 HZ2 TRP 518 2HZ TRP 518 -8.446 9.207 3.667 95 HZ3 TRP 518 3HZ TRP 518 -8.696 10.622 -0.351 96 HH2 TRP 518 HH TRP 518 -9.750 10.113 1.792 97 H THR 519 H THR 519 0.015 7.628 1.189 98 HA THR 519 HA THR 519 0.615 9.785 2.993 99 HB THR 519 HB THR 519 -0.601 8.512 4.561 100 HG1 THR 519 1HG THR 519 2.076 7.673 4.912 101 HG21 THR 519 3HG2 THR 519 0.893 6.003 4.317 102 HG22 THR 519 1HG2 THR 519 -0.258 6.345 3.026 103 HG23 THR 519 2HG2 THR 519 -0.804 6.291 4.703 104 H THR 520 H THR 520 1.533 6.439 2.285 105 HA THR 520 HA THR 520 4.257 7.378 1.724 106 HB THR 520 HB THR 520 3.920 6.007 3.882 107 HG1 THR 520 1HG THR 520 5.779 5.251 1.887 108 HG21 THR 520 3HG2 THR 520 2.514 4.228 3.087 109 HG22 THR 520 1HG2 THR 520 4.076 3.569 3.578 110 HG23 THR 520 2HG2 THR 520 3.706 3.784 1.866 111 H GLN 521 H GLN 521 1.491 6.150 0.457 112 HA GLN 521 HA GLN 521 2.846 4.495 -1.508 113 HB2 GLN 521 2HB GLN 521 0.868 3.395 -1.908 114 HB3 GLN 521 1HB GLN 521 0.643 3.847 -0.225 115 HG2 GLN 521 2HG GLN 521 -1.368 4.410 -1.149 116 HG3 GLN 521 1HG GLN 521 -0.505 5.945 -1.200 117 HE21 GLN 521 1HE2 GLN 521 -0.789 6.991 -2.997 118 HE22 GLN 521 2HE2 GLN 521 -0.999 6.313 -4.570 119 H ASP 522 H ASP 522 1.297 7.511 -1.078 120 HA ASP 522 HA ASP 522 1.395 8.085 -3.955 121 HB2 ASP 522 2HB ASP 522 -0.561 8.669 -2.009 122 HB3 ASP 522 1HB ASP 522 0.196 10.206 -2.412 123 H GLU 523 H GLU 523 3.223 8.305 -1.339 124 HA GLU 523 HA GLU 523 4.690 10.646 -2.311 125 HB2 GLU 523 2HB GLU 523 4.694 10.145 0.616 126 HB3 GLU 523 1HB GLU 523 4.792 11.666 -0.263 127 HG2 GLU 523 2HG GLU 523 2.320 11.128 -0.885 128 HG3 GLU 523 1HG GLU 523 2.395 10.090 0.540 129 H GLY 524 H GLY 524 4.574 7.482 -1.025 130 HA2 GLY 524 2HA GLY 524 7.511 7.310 -1.072 131 HA3 GLY 524 1HA GLY 524 6.488 6.329 -0.027 132 H ALA 525 H ALA 525 4.458 5.924 -2.117 133 HA ALA 525 HA ALA 525 5.910 3.871 -3.625 134 HB1 ALA 525 1HB ALA 525 2.927 4.091 -3.286 135 HB2 ALA 525 2HB ALA 525 3.971 3.204 -2.180 136 HB3 ALA 525 3HB ALA 525 3.846 2.703 -3.867 137 H ALA 526 H ALA 526 5.662 6.782 -4.200 138 HA ALA 526 HA ALA 526 4.877 6.516 -7.014 139 HB1 ALA 526 1HB ALA 526 2.983 7.588 -6.162 140 HB2 ALA 526 2HB ALA 526 3.969 8.897 -6.814 141 HB3 ALA 526 3HB ALA 526 3.937 8.599 -5.075 142 H ILE 527 H ILE 527 7.213 7.295 -4.835 143 HA ILE 527 HA ILE 527 8.780 8.702 -6.827 144 HB ILE 527 HB ILE 527 9.470 10.127 -4.593 145 HG12 ILE 527 2HG1 ILE 527 7.203 9.036 -3.692 146 HG13 ILE 527 1HG1 ILE 527 7.684 10.673 -3.262 147 HG21 ILE 527 1HG2 ILE 527 7.576 10.804 -6.826 148 HG22 ILE 527 2HG2 ILE 527 9.306 11.128 -6.728 149 HG23 ILE 527 3HG2 ILE 527 8.186 11.998 -5.680 150 HD11 ILE 527 3HD1 ILE 527 5.990 10.290 -5.673 151 HD12 ILE 527 1HD1 ILE 527 6.043 11.628 -4.524 152 HD13 ILE 527 2HD1 ILE 527 5.252 10.115 -4.079 153 H GLY 528 H GLY 528 8.583 7.215 -3.625 154 HA2 GLY 528 2HA GLY 528 11.388 6.958 -3.247 155 HA3 GLY 528 1HA GLY 528 10.141 6.101 -2.356 156 H LEU 529 H LEU 529 10.650 4.003 -2.410 157 HA LEU 529 HA LEU 529 11.307 2.848 -5.038 158 HB2 LEU 529 2HB LEU 529 12.699 2.653 -2.460 159 HB3 LEU 529 1HB LEU 529 12.494 1.131 -3.301 160 HG LEU 529 HG LEU 529 13.641 2.037 -5.262 161 HD11 LEU 529 1HD1 LEU 529 13.200 4.300 -5.347 162 HD12 LEU 529 2HD1 LEU 529 14.878 4.270 -4.809 163 HD13 LEU 529 3HD1 LEU 529 13.583 4.547 -3.644 164 HD21 LEU 529 3HD2 LEU 529 15.314 2.631 -2.839 165 HD22 LEU 529 1HD2 LEU 529 15.826 1.975 -4.394 166 HD23 LEU 529 2HD2 LEU 529 14.862 0.989 -3.296 167 H ALA 530 H ALA 530 9.009 2.429 -5.196 168 HA ALA 530 HA ALA 530 8.068 0.152 -3.567 169 HB1 ALA 530 1HB ALA 530 5.933 1.058 -5.106 170 HB2 ALA 530 2HB ALA 530 6.771 2.524 -4.606 171 HB3 ALA 530 3HB ALA 530 6.201 1.377 -3.393 172 H TRP 531 H TRP 531 8.687 1.358 -6.734 173 HA TRP 531 HA TRP 531 7.596 -0.767 -8.281 174 HB2 TRP 531 2HB TRP 531 9.417 0.352 -9.933 175 HB3 TRP 531 1HB TRP 531 7.862 1.105 -9.590 176 HD1 TRP 531 HD TRP 531 11.415 1.190 -8.025 177 HE1 TRP 531 1HE TRP 531 11.866 3.587 -7.224 178 HE3 TRP 531 3HE TRP 531 6.949 3.312 -9.309 179 HZ2 TRP 531 2HZ TRP 531 10.504 6.079 -7.173 180 HZ3 TRP 531 3HZ TRP 531 6.597 5.703 -8.851 181 HH2 TRP 531 HH TRP 531 8.335 7.057 -7.801 182 H ILE 532 H ILE 532 10.396 -0.444 -6.393 183 HA ILE 532 HA ILE 532 11.947 -2.396 -7.893 184 HB ILE 532 HB ILE 532 13.061 -0.404 -7.085 185 HG12 ILE 532 2HG1 ILE 532 14.166 -2.484 -5.260 186 HG13 ILE 532 1HG1 ILE 532 14.108 -2.837 -6.989 187 HG21 ILE 532 1HG2 ILE 532 11.548 -0.919 -4.721 188 HG22 ILE 532 2HG2 ILE 532 12.468 0.511 -5.172 189 HG23 ILE 532 3HG2 ILE 532 13.260 -0.809 -4.313 190 HD11 ILE 532 3HD1 ILE 532 16.002 -1.300 -5.572 191 HD12 ILE 532 1HD1 ILE 532 15.120 -0.209 -6.644 192 HD13 ILE 532 2HD1 ILE 532 15.932 -1.633 -7.303 193 HA PRO 533 HA PRO 533 10.118 -5.402 -4.986 194 HB2 PRO 533 2HB PRO 533 10.569 -7.585 -6.500 195 HB3 PRO 533 1HB PRO 533 9.229 -6.477 -6.828 196 HG2 PRO 533 2HG PRO 533 11.913 -6.648 -8.149 197 HG3 PRO 533 1HG PRO 533 10.314 -6.443 -8.889 198 HD2 PRO 533 2HD PRO 533 12.029 -4.374 -8.464 199 HD3 PRO 533 1HD PRO 533 10.265 -4.188 -8.454 200 H TYR 534 H TYR 534 12.335 -4.513 -3.989 201 HA TYR 534 HA TYR 534 14.379 -6.603 -4.083 202 HB2 TYR 534 2HB TYR 534 15.103 -4.264 -4.378 203 HB3 TYR 534 1HB TYR 534 14.454 -3.869 -2.790 204 HD1 TYR 534 1HD TYR 534 16.280 -6.972 -3.616 205 HD2 TYR 534 2HD TYR 534 16.466 -3.151 -1.763 206 HE1 TYR 534 1HE TYR 534 18.434 -7.582 -2.595 207 HE2 TYR 534 2HE TYR 534 18.622 -3.746 -0.735 208 HH TYR 534 HH TYR 534 19.755 -6.825 -0.493 209 H PHE 535 H PHE 535 12.333 -4.849 -1.776 210 HA PHE 535 HA PHE 535 12.860 -6.992 0.180 211 HB2 PHE 535 2HB PHE 535 11.887 -4.814 1.631 212 HB3 PHE 535 1HB PHE 535 13.550 -5.383 1.579 213 HD1 PHE 535 2HD PHE 535 11.188 -3.149 -0.238 214 HD2 PHE 535 1HD PHE 535 15.218 -3.958 0.864 215 HE1 PHE 535 2HE PHE 535 11.885 -1.009 -1.232 216 HE2 PHE 535 1HE PHE 535 15.922 -1.818 -0.125 217 HZ PHE 535 HZ PHE 535 14.254 -0.340 -1.174 218 H GLY 536 H GLY 536 10.458 -4.755 -1.128 219 HA2 GLY 536 2HA GLY 536 8.162 -4.773 -1.066 220 HA3 GLY 536 1HA GLY 536 8.352 -6.507 -1.244 221 HA PRO 537 HA PRO 537 6.223 -6.753 2.657 222 HB2 PRO 537 2HB PRO 537 7.219 -9.503 2.869 223 HB3 PRO 537 1HB PRO 537 5.562 -8.923 2.688 224 HG2 PRO 537 2HG PRO 537 6.860 -10.204 0.703 225 HG3 PRO 537 1HG PRO 537 5.669 -8.929 0.388 226 HD2 PRO 537 2HD PRO 537 8.661 -8.780 0.358 227 HD3 PRO 537 1HD PRO 537 7.483 -8.055 -0.758 228 H ALA 538 H ALA 538 9.561 -6.923 2.276 229 HA ALA 538 HA ALA 538 10.124 -7.517 5.071 230 HB1 ALA 538 1HB ALA 538 12.316 -6.631 3.309 231 HB2 ALA 538 2HB ALA 538 11.503 -8.125 2.840 232 HB3 ALA 538 3HB ALA 538 12.239 -7.986 4.436 233 H ALA 539 H ALA 539 10.141 -4.828 2.822 234 HA ALA 539 HA ALA 539 11.365 -2.981 4.645 235 HB1 ALA 539 1HB ALA 539 11.740 -2.408 2.434 236 HB2 ALA 539 2HB ALA 539 10.438 -1.309 2.895 237 HB3 ALA 539 3HB ALA 539 10.077 -2.759 1.959 238 H GLU 540 H GLU 540 8.242 -4.224 4.205 239 HA GLU 540 HA GLU 540 6.443 -2.293 4.683 240 HB2 GLU 540 2HB GLU 540 5.012 -3.937 5.590 241 HB3 GLU 540 1HB GLU 540 6.067 -4.765 4.452 242 HG2 GLU 540 2HG GLU 540 7.490 -5.406 6.438 243 HG3 GLU 540 1HG GLU 540 6.168 -4.828 7.451 244 H GLY 541 H GLY 541 6.704 -0.565 5.966 245 HA2 GLY 541 2HA GLY 541 6.124 0.127 8.251 246 HA3 GLY 541 1HA GLY 541 7.260 -1.080 8.817 247 H ILE 542 H ILE 542 8.800 0.180 6.241 248 HA ILE 542 HA ILE 542 10.204 2.101 7.957 249 HB ILE 542 HB ILE 542 11.162 0.917 5.356 250 HG12 ILE 542 2HG1 ILE 542 12.577 0.026 7.710 251 HG13 ILE 542 1HG1 ILE 542 10.863 -0.354 7.847 252 HG21 ILE 542 1HG2 ILE 542 13.326 1.766 5.988 253 HG22 ILE 542 2HG2 ILE 542 12.689 2.345 7.528 254 HG23 ILE 542 3HG2 ILE 542 12.157 3.086 6.019 255 HD11 ILE 542 3HD1 ILE 542 11.463 -1.091 5.274 256 HD12 ILE 542 1HD1 ILE 542 11.330 -2.168 6.666 257 HD13 ILE 542 2HD1 ILE 542 12.908 -1.547 6.181 258 H TYR 543 H TYR 543 8.519 1.841 4.878 259 HA TYR 543 HA TYR 543 7.819 4.524 4.776 260 HB2 TYR 543 2HB TYR 543 9.435 4.943 2.627 261 HB3 TYR 543 1HB TYR 543 9.794 5.502 4.258 262 HD1 TYR 543 1HD TYR 543 10.026 1.998 3.034 263 HD2 TYR 543 2HD TYR 543 12.144 5.499 4.203 264 HE1 TYR 543 1HE TYR 543 12.132 0.732 2.988 265 HE2 TYR 543 2HE TYR 543 14.256 4.241 4.162 266 HH TYR 543 HH TYR 543 14.357 0.824 3.905 267 H ILE 544 H ILE 544 9.167 3.264 1.834 268 HA ILE 544 HA ILE 544 6.661 3.307 0.517 269 HB ILE 544 HB ILE 544 9.188 2.025 -0.492 270 HG12 ILE 544 2HG1 ILE 544 9.158 4.586 -1.499 271 HG13 ILE 544 1HG1 ILE 544 8.595 4.824 0.151 272 HG21 ILE 544 1HG2 ILE 544 8.186 3.112 -2.644 273 HG22 ILE 544 2HG2 ILE 544 6.681 3.063 -1.725 274 HG23 ILE 544 3HG2 ILE 544 7.565 1.572 -2.051 275 HD11 ILE 544 3HD1 ILE 544 11.196 4.735 -0.617 276 HD12 ILE 544 1HD1 ILE 544 10.927 3.081 -0.070 277 HD13 ILE 544 2HD1 ILE 544 10.609 4.431 1.019 278 H GLU 545 H GLU 545 8.912 0.599 1.078 279 HA GLU 545 HA GLU 545 8.579 -1.647 1.243 280 HB2 GLU 545 2HB GLU 545 5.743 -1.366 2.056 281 HB3 GLU 545 1HB GLU 545 7.035 -2.302 2.790 282 HG2 GLU 545 2HG GLU 545 7.483 -0.710 4.276 283 HG3 GLU 545 1HG GLU 545 7.449 0.564 3.065 284 H GLY 546 H GLY 546 7.108 -3.501 0.481 285 HA2 GLY 546 2HA GLY 546 6.676 -3.324 -2.251 286 HA3 GLY 546 1HA GLY 546 5.922 -4.526 -1.210 287 H LEU 547 H LEU 547 3.881 -4.063 -0.269 288 HA LEU 547 HA LEU 547 1.664 -3.531 -0.664 289 HB2 LEU 547 2HB LEU 547 1.226 -1.191 -0.025 290 HB3 LEU 547 1HB LEU 547 2.349 -1.996 1.056 291 HG LEU 547 HG LEU 547 4.210 -0.873 -0.290 292 HD11 LEU 547 1HD1 LEU 547 3.186 -0.128 -2.241 293 HD12 LEU 547 2HD1 LEU 547 3.367 1.341 -1.280 294 HD13 LEU 547 3HD1 LEU 547 1.799 0.536 -1.375 295 HD21 LEU 547 3HD2 LEU 547 3.416 1.440 0.844 296 HD22 LEU 547 1HD2 LEU 547 4.126 0.093 1.733 297 HD23 LEU 547 2HD2 LEU 547 2.372 0.293 1.686 298 H MET 548 H MET 548 3.074 -3.731 -3.178 299 HA MET 548 HA MET 548 2.485 -1.515 -4.836 300 HB2 MET 548 2HB MET 548 2.713 -4.341 -5.805 301 HB3 MET 548 1HB MET 548 3.108 -2.857 -6.657 302 HG2 MET 548 2HG MET 548 5.201 -2.942 -5.947 303 HG3 MET 548 1HG MET 548 4.671 -3.029 -4.268 304 HE1 MET 548 3HE MET 548 4.645 -4.844 -2.858 305 HE2 MET 548 1HE MET 548 5.057 -6.525 -3.195 306 HE3 MET 548 2HE MET 548 3.464 -5.903 -3.626 307 H HIS 549 H HIS 549 0.198 -2.145 -3.318 308 HA HIS 549 HA HIS 549 -1.671 -3.038 -5.409 309 HB2 HIS 549 2HB HIS 549 -2.332 -2.928 -2.471 310 HB3 HIS 549 1HB HIS 549 -3.146 -3.831 -3.744 311 HD1 HIS 549 1HD HIS 549 -1.068 -4.411 -0.969 312 HD2 HIS 549 2HD HIS 549 -1.115 -5.854 -4.866 313 HE1 HIS 549 1HE HIS 549 0.241 -6.556 -0.907 314 HE2 HIS 549 2HE HIS 549 0.118 -7.460 -3.256 315 H ASN 550 H ASN 550 -0.544 -0.471 -3.520 316 HA ASN 550 HA ASN 550 -1.096 1.725 -3.367 317 HB2 ASN 550 2HB ASN 550 -2.621 0.864 -5.777 318 HB3 ASN 550 1HB ASN 550 -3.014 2.431 -5.076 319 HD21 ASN 550 1HD2 ASN 550 0.150 0.893 -5.092 320 HD22 ASN 550 2HD2 ASN 550 0.918 2.065 -6.098 321 H GLN 551 H GLN 551 -3.893 -0.441 -3.478 322 HA GLN 551 HA GLN 551 -5.549 -0.709 -1.935 323 HB2 GLN 551 2HB GLN 551 -4.782 1.923 -0.688 324 HB3 GLN 551 1HB GLN 551 -5.754 0.635 0.005 325 HG2 GLN 551 2HG GLN 551 -3.676 -0.818 -0.215 326 HG3 GLN 551 1HG GLN 551 -2.803 0.695 -0.455 327 HE21 GLN 551 1HE2 GLN 551 -3.786 -1.515 1.788 328 HE22 GLN 551 2HE2 GLN 551 -3.661 -0.549 3.215 329 H ASP 552 H ASP 552 -7.528 -0.468 -2.497 330 HA ASP 552 HA ASP 552 -8.700 2.094 -3.094 331 HB2 ASP 552 2HB ASP 552 -7.975 0.159 -5.230 332 HB3 ASP 552 1HB ASP 552 -9.543 0.949 -5.361 333 H GLY 553 H GLY 553 -9.532 0.745 -1.036 334 HA2 GLY 553 2HA GLY 553 -11.401 -0.137 -0.055 335 HA3 GLY 553 1HA GLY 553 -12.224 0.135 -1.576 336 H LEU 554 H LEU 554 -9.483 -1.974 -0.798 337 HA LEU 554 HA LEU 554 -10.920 -4.201 -2.030 338 HB2 LEU 554 2HB LEU 554 -8.114 -4.375 -1.005 339 HB3 LEU 554 1HB LEU 554 -8.863 -5.246 -2.330 340 HG LEU 554 HG LEU 554 -7.931 -2.381 -2.319 341 HD11 LEU 554 1HD1 LEU 554 -7.119 -4.319 -4.387 342 HD12 LEU 554 2HD1 LEU 554 -6.489 -4.598 -2.764 343 HD13 LEU 554 3HD1 LEU 554 -6.187 -3.061 -3.576 344 HD21 LEU 554 3HD2 LEU 554 -9.719 -3.848 -4.220 345 HD22 LEU 554 1HD2 LEU 554 -8.655 -2.564 -4.795 346 HD23 LEU 554 2HD2 LEU 554 -9.879 -2.215 -3.572 347 H ILE 555 H ILE 555 -9.760 -3.055 1.024 348 HA ILE 555 HA ILE 555 -10.383 -5.594 2.344 349 HB ILE 555 HB ILE 555 -9.280 -3.148 3.705 350 HG12 ILE 555 2HG1 ILE 555 -7.167 -4.957 3.165 351 HG13 ILE 555 1HG1 ILE 555 -7.991 -4.671 1.636 352 HG21 ILE 555 1HG2 ILE 555 -9.976 -4.790 5.241 353 HG22 ILE 555 2HG2 ILE 555 -8.223 -4.954 5.126 354 HG23 ILE 555 3HG2 ILE 555 -9.272 -6.090 4.284 355 HD11 ILE 555 3HD1 ILE 555 -6.083 -3.061 2.873 356 HD12 ILE 555 1HD1 ILE 555 -7.612 -2.199 3.039 357 HD13 ILE 555 2HD1 ILE 555 -7.043 -2.685 1.442 358 H CYS 556 H CYS 556 -11.288 -2.201 2.250 359 HA CYS 556 HA CYS 556 -13.244 -2.404 4.329 360 HB2 CYS 556 2HB CYS 556 -11.916 -0.316 3.489 361 HB3 CYS 556 1HB CYS 556 -13.192 -0.201 2.289 362 H GLY 557 H GLY 557 -13.593 -1.601 0.869 363 HA2 GLY 557 2HA GLY 557 -16.366 -2.514 0.981 364 HA3 GLY 557 1HA GLY 557 -15.621 -1.613 -0.328 365 H LEU 558 H LEU 558 -13.303 -3.474 -0.372 366 HA LEU 558 HA LEU 558 -12.630 -5.381 -1.424 367 HB2 LEU 558 2HB LEU 558 -15.380 -6.480 -0.929 368 HB3 LEU 558 1HB LEU 558 -13.883 -7.372 -1.133 369 HG LEU 558 HG LEU 558 -13.287 -5.909 1.073 370 HD11 LEU 558 1HD1 LEU 558 -15.172 -4.916 1.767 371 HD12 LEU 558 2HD1 LEU 558 -15.571 -6.517 2.392 372 HD13 LEU 558 3HD1 LEU 558 -16.211 -5.992 0.833 373 HD21 LEU 558 3HD2 LEU 558 -12.889 -8.249 0.946 374 HD22 LEU 558 1HD2 LEU 558 -14.615 -8.602 0.859 375 HD23 LEU 558 2HD2 LEU 558 -13.917 -7.977 2.353 376 H ARG 559 H ARG 559 -14.402 -3.216 -2.699 377 HA ARG 559 HA ARG 559 -14.393 -4.291 -5.324 378 HB2 ARG 559 2HB ARG 559 -17.036 -3.835 -5.422 379 HB3 ARG 559 1HB ARG 559 -16.350 -5.421 -5.091 380 HG2 ARG 559 2HG ARG 559 -16.737 -5.220 -2.773 381 HG3 ARG 559 1HG ARG 559 -17.061 -3.490 -2.902 382 HD2 ARG 559 2HD ARG 559 -19.215 -4.146 -2.865 383 HD3 ARG 559 1HD ARG 559 -18.942 -4.462 -4.578 384 HE ARG 559 HE ARG 559 -18.238 -6.736 -3.075 385 HH11 ARG 559 1HH1 ARG 559 -21.048 -4.934 -4.091 386 HH12 ARG 559 2HH1 ARG 559 -22.097 -6.311 -4.059 387 HH21 ARG 559 1HH2 ARG 559 -19.616 -8.549 -3.033 388 HH22 ARG 559 2HH2 ARG 559 -21.285 -8.364 -3.458 389 H GLN 560 H GLN 560 -13.765 -1.822 -3.604 390 HA GLN 560 HA GLN 560 -15.351 0.248 -4.849 391 HB2 GLN 560 2HB GLN 560 -12.830 0.629 -3.239 392 HB3 GLN 560 1HB GLN 560 -14.107 1.800 -3.528 393 HG2 GLN 560 2HG GLN 560 -14.082 -0.549 -1.685 394 HG3 GLN 560 1HG GLN 560 -14.484 1.133 -1.346 395 HE21 GLN 560 1HE2 GLN 560 -15.638 -1.925 -2.408 396 HE22 GLN 560 2HE2 GLN 560 -17.308 -1.511 -2.525 Start of MODEL 19 1 H1 ALA 507 1HT ALA 507 -9.089 -8.613 -0.708 2 H2 ALA 507 2HT ALA 507 -9.492 -10.026 -1.596 3 H3 ALA 507 3HT ALA 507 -8.368 -10.113 -0.301 4 HA ALA 507 HA ALA 507 -11.110 -9.189 0.112 5 HB1 ALA 507 2HB ALA 507 -11.981 -11.284 0.206 6 HB2 ALA 507 3HB ALA 507 -10.445 -12.023 0.661 7 HB3 ALA 507 1HB ALA 507 -10.745 -11.572 -1.018 8 H GLN 508 H GLN 508 -10.747 -8.035 1.919 9 HA GLN 508 HA GLN 508 -9.943 -9.433 4.292 10 HB2 GLN 508 2HB GLN 508 -8.194 -7.592 4.811 11 HB3 GLN 508 1HB GLN 508 -7.735 -8.941 3.786 12 HG2 GLN 508 2HG GLN 508 -8.643 -7.137 1.951 13 HG3 GLN 508 1HG GLN 508 -7.926 -6.090 3.174 14 HE21 GLN 508 1HE2 GLN 508 -6.765 -5.999 0.820 15 HE22 GLN 508 2HE2 GLN 508 -5.267 -6.856 0.801 16 HA PRO 509 HA PRO 509 -12.773 -6.222 5.638 17 HB2 PRO 509 2HB PRO 509 -13.678 -7.410 7.783 18 HB3 PRO 509 1HB PRO 509 -13.918 -8.205 6.218 19 HG2 PRO 509 2HG PRO 509 -11.796 -8.707 8.279 20 HG3 PRO 509 1HG PRO 509 -12.830 -9.892 7.455 21 HD2 PRO 509 2HD PRO 509 -10.265 -9.241 6.666 22 HD3 PRO 509 1HD PRO 509 -11.504 -9.897 5.576 23 H LYS 510 H LYS 510 -11.048 -4.712 6.038 24 HA LYS 510 HA LYS 510 -10.550 -4.337 8.885 25 HB2 LYS 510 2HB LYS 510 -8.544 -4.822 6.826 26 HB3 LYS 510 1HB LYS 510 -8.202 -3.426 7.841 27 HG2 LYS 510 2HG LYS 510 -7.973 -4.703 9.738 28 HG3 LYS 510 1HG LYS 510 -8.980 -6.006 9.103 29 HD2 LYS 510 2HD LYS 510 -6.437 -5.413 7.690 30 HD3 LYS 510 1HD LYS 510 -6.334 -6.212 9.261 31 HE2 LYS 510 2HE LYS 510 -8.346 -7.323 7.432 32 HE3 LYS 510 1HE LYS 510 -6.677 -7.496 6.891 33 HZ1 LYS 510 3HZ LYS 510 -7.373 -9.391 8.208 34 HZ2 LYS 510 1HZ LYS 510 -7.746 -8.385 9.516 35 HZ3 LYS 510 2HZ LYS 510 -6.142 -8.546 9.002 36 H CYS 511 H CYS 511 -10.539 -2.923 5.699 37 HA CYS 511 HA CYS 511 -11.186 -0.889 4.955 38 HB2 CYS 511 2HB CYS 511 -12.302 -0.901 7.658 39 HB3 CYS 511 1HB CYS 511 -11.957 0.709 7.037 40 H ASN 512 H ASN 512 -8.596 -1.344 5.281 41 HA ASN 512 HA ASN 512 -7.645 1.323 6.052 42 HB2 ASN 512 2HB ASN 512 -6.915 -0.281 7.761 43 HB3 ASN 512 1HB ASN 512 -6.152 -1.264 6.517 44 HD21 ASN 512 1HD2 ASN 512 -5.944 2.124 6.028 45 HD22 ASN 512 2HD2 ASN 512 -4.311 2.320 6.550 46 HA PRO 513 HA PRO 513 -6.017 -0.107 1.843 47 HB2 PRO 513 2HB PRO 513 -7.951 0.243 0.079 48 HB3 PRO 513 1HB PRO 513 -7.981 -1.163 1.148 49 HG2 PRO 513 2HG PRO 513 -9.479 1.425 1.413 50 HG3 PRO 513 1HG PRO 513 -10.086 -0.230 1.579 51 HD2 PRO 513 2HD PRO 513 -9.331 1.362 3.698 52 HD3 PRO 513 1HD PRO 513 -9.345 -0.411 3.728 53 H ASN 514 H ASN 514 -8.160 2.017 0.268 54 HA ASN 514 HA ASN 514 -6.095 3.943 -0.106 55 HB2 ASN 514 2HB ASN 514 -7.545 4.955 -1.703 56 HB3 ASN 514 1HB ASN 514 -7.748 3.212 -1.857 57 HD21 ASN 514 1HD2 ASN 514 -9.768 2.723 -2.262 58 HD22 ASN 514 2HD2 ASN 514 -11.164 3.464 -1.564 59 H LEU 515 H LEU 515 -7.947 3.540 2.502 60 HA LEU 515 HA LEU 515 -8.518 6.383 2.902 61 HB2 LEU 515 2HB LEU 515 -9.321 3.983 4.553 62 HB3 LEU 515 1HB LEU 515 -9.802 5.642 4.866 63 HG LEU 515 HG LEU 515 -11.662 4.682 3.812 64 HD11 LEU 515 1HD1 LEU 515 -10.032 6.104 1.711 65 HD12 LEU 515 2HD1 LEU 515 -11.161 6.830 2.856 66 HD13 LEU 515 3HD1 LEU 515 -11.760 5.765 1.583 67 HD21 LEU 515 3HD2 LEU 515 -9.793 2.913 2.705 68 HD22 LEU 515 1HD2 LEU 515 -10.577 3.699 1.336 69 HD23 LEU 515 2HD2 LEU 515 -11.548 2.857 2.542 70 H HIS 516 H HIS 516 -5.874 5.593 2.802 71 HA HIS 516 HA HIS 516 -4.757 6.811 5.021 72 HB2 HIS 516 2HB HIS 516 -5.592 4.388 5.862 73 HB3 HIS 516 1HB HIS 516 -3.998 3.952 5.258 74 HD1 HIS 516 1HD HIS 516 -4.369 3.627 8.187 75 HD2 HIS 516 2HD HIS 516 -3.181 7.236 6.507 76 HE1 HIS 516 1HE HIS 516 -3.217 4.884 10.037 77 HE2 HIS 516 2HE HIS 516 -2.559 7.089 9.012 78 H TYR 517 H TYR 517 -4.438 4.494 2.434 79 HA TYR 517 HA TYR 517 -1.832 4.102 1.993 80 HB2 TYR 517 2HB TYR 517 -2.296 3.859 -0.310 81 HB3 TYR 517 1HB TYR 517 -3.813 3.507 0.501 82 HD1 TYR 517 2HD TYR 517 -5.260 5.808 0.894 83 HD2 TYR 517 1HD TYR 517 -2.496 5.076 -2.255 84 HE1 TYR 517 2HE TYR 517 -6.411 7.480 -0.494 85 HE2 TYR 517 1HE TYR 517 -3.634 6.748 -3.651 86 HH TYR 517 HH TYR 517 -6.198 7.709 -3.651 87 H TRP 518 H TRP 518 -3.487 7.151 1.330 88 HA TRP 518 HA TRP 518 -1.286 8.507 0.181 89 HB2 TRP 518 2HB TRP 518 -2.656 10.571 0.917 90 HB3 TRP 518 1HB TRP 518 -3.403 9.463 -0.231 91 HD1 TRP 518 HD TRP 518 -3.307 8.473 3.438 92 HE1 TRP 518 1HE TRP 518 -5.695 8.509 4.380 93 HE3 TRP 518 3HE TRP 518 -5.694 10.645 -0.518 94 HZ2 TRP 518 2HZ TRP 518 -8.264 9.361 3.556 95 HZ3 TRP 518 3HZ TRP 518 -8.119 11.040 -0.364 96 HH2 TRP 518 HH TRP 518 -9.376 10.408 1.631 97 H THR 519 H THR 519 0.400 7.825 1.690 98 HA THR 519 HA THR 519 0.950 9.840 3.638 99 HB THR 519 HB THR 519 -0.521 8.592 5.028 100 HG1 THR 519 1HG THR 519 2.091 7.702 5.657 101 HG21 THR 519 3HG2 THR 519 -0.739 6.353 5.194 102 HG22 THR 519 1HG2 THR 519 0.962 6.048 4.834 103 HG23 THR 519 2HG2 THR 519 -0.156 6.449 3.529 104 H THR 520 H THR 520 1.692 6.455 2.902 105 HA THR 520 HA THR 520 4.530 7.186 2.679 106 HB THR 520 HB THR 520 4.040 5.762 4.668 107 HG1 THR 520 1HG THR 520 5.607 4.123 4.082 108 HG21 THR 520 3HG2 THR 520 2.736 4.072 2.656 109 HG22 THR 520 1HG2 THR 520 2.456 4.205 4.392 110 HG23 THR 520 2HG2 THR 520 3.795 3.228 3.787 111 H GLN 521 H GLN 521 1.799 6.234 1.075 112 HA GLN 521 HA GLN 521 3.213 4.647 -0.894 113 HB2 GLN 521 2HB GLN 521 1.214 3.708 -1.493 114 HB3 GLN 521 1HB GLN 521 0.823 4.153 0.161 115 HG2 GLN 521 2HG GLN 521 -1.012 4.895 -0.997 116 HG3 GLN 521 1HG GLN 521 -0.033 6.353 -0.886 117 HE21 GLN 521 1HE2 GLN 521 -0.329 7.453 -2.672 118 HE22 GLN 521 2HE2 GLN 521 -0.257 6.830 -4.279 119 H ASP 522 H ASP 522 1.459 7.605 -0.489 120 HA ASP 522 HA ASP 522 1.894 8.424 -3.246 121 HB2 ASP 522 2HB ASP 522 -0.109 8.957 -1.387 122 HB3 ASP 522 1HB ASP 522 0.790 10.467 -1.497 123 H GLU 523 H GLU 523 3.722 8.315 -0.639 124 HA GLU 523 HA GLU 523 5.308 10.643 -1.421 125 HB2 GLU 523 2HB GLU 523 5.226 9.934 1.470 126 HB3 GLU 523 1HB GLU 523 5.494 11.496 0.709 127 HG2 GLU 523 2HG GLU 523 2.972 11.194 0.006 128 HG3 GLU 523 1HG GLU 523 2.950 10.135 1.417 129 H GLY 524 H GLY 524 5.021 7.455 -0.152 130 HA2 GLY 524 2HA GLY 524 7.942 7.113 -0.272 131 HA3 GLY 524 1HA GLY 524 6.866 6.144 0.727 132 H ALA 525 H ALA 525 4.880 6.091 -1.547 133 HA ALA 525 HA ALA 525 6.228 3.990 -3.108 134 HB1 ALA 525 1HB ALA 525 4.295 3.323 -1.634 135 HB2 ALA 525 2HB ALA 525 4.134 2.883 -3.335 136 HB3 ALA 525 3HB ALA 525 3.257 4.275 -2.695 137 H ALA 526 H ALA 526 6.153 6.899 -3.591 138 HA ALA 526 HA ALA 526 5.211 6.789 -6.359 139 HB1 ALA 526 1HB ALA 526 4.247 9.088 -6.093 140 HB2 ALA 526 2HB ALA 526 4.419 8.875 -4.351 141 HB3 ALA 526 3HB ALA 526 3.364 7.801 -5.271 142 H ILE 527 H ILE 527 7.664 7.480 -4.274 143 HA ILE 527 HA ILE 527 9.072 9.032 -6.294 144 HB ILE 527 HB ILE 527 9.956 10.253 -3.993 145 HG12 ILE 527 2HG1 ILE 527 7.767 9.099 -3.028 146 HG13 ILE 527 1HG1 ILE 527 8.249 10.715 -2.522 147 HG21 ILE 527 1HG2 ILE 527 7.833 11.217 -5.904 148 HG22 ILE 527 2HG2 ILE 527 9.577 11.328 -6.138 149 HG23 ILE 527 3HG2 ILE 527 8.802 12.239 -4.842 150 HD11 ILE 527 3HD1 ILE 527 5.778 10.116 -3.269 151 HD12 ILE 527 1HD1 ILE 527 6.441 10.508 -4.857 152 HD13 ILE 527 2HD1 ILE 527 6.493 11.702 -3.560 153 H GLY 528 H GLY 528 9.193 7.312 -3.201 154 HA2 GLY 528 2HA GLY 528 12.024 7.023 -3.166 155 HA3 GLY 528 1HA GLY 528 10.879 6.116 -2.191 156 H LEU 529 H LEU 529 10.599 4.017 -2.644 157 HA LEU 529 HA LEU 529 11.308 3.067 -5.321 158 HB2 LEU 529 2HB LEU 529 12.919 2.712 -3.050 159 HB3 LEU 529 1HB LEU 529 12.170 1.158 -3.351 160 HG LEU 529 HG LEU 529 12.979 1.387 -5.753 161 HD11 LEU 529 1HD1 LEU 529 13.586 3.944 -4.977 162 HD12 LEU 529 2HD1 LEU 529 14.201 3.130 -6.416 163 HD13 LEU 529 3HD1 LEU 529 15.155 3.142 -4.933 164 HD21 LEU 529 3HD2 LEU 529 15.162 1.275 -3.686 165 HD22 LEU 529 1HD2 LEU 529 15.095 0.451 -5.243 166 HD23 LEU 529 2HD2 LEU 529 14.007 -0.033 -3.943 167 H ALA 530 H ALA 530 9.032 2.896 -5.590 168 HA ALA 530 HA ALA 530 7.834 0.569 -4.221 169 HB1 ALA 530 1HB ALA 530 6.770 3.207 -4.841 170 HB2 ALA 530 2HB ALA 530 6.184 1.988 -3.709 171 HB3 ALA 530 3HB ALA 530 5.739 1.895 -5.412 172 H TRP 531 H TRP 531 9.307 1.485 -6.936 173 HA TRP 531 HA TRP 531 7.638 -0.030 -8.806 174 HB2 TRP 531 2HB TRP 531 9.743 0.966 -10.272 175 HB3 TRP 531 1HB TRP 531 8.200 1.788 -10.059 176 HD1 TRP 531 HD TRP 531 11.715 1.715 -8.460 177 HE1 TRP 531 1HE TRP 531 12.156 4.009 -7.398 178 HE3 TRP 531 3HE TRP 531 7.176 3.903 -9.331 179 HZ2 TRP 531 2HZ TRP 531 10.773 6.442 -6.994 180 HZ3 TRP 531 3HZ TRP 531 6.815 6.215 -8.571 181 HH2 TRP 531 HH TRP 531 8.575 7.459 -7.423 182 H ILE 532 H ILE 532 9.445 -1.058 -6.596 183 HA ILE 532 HA ILE 532 10.833 -3.023 -8.252 184 HB ILE 532 HB ILE 532 12.941 -2.749 -7.329 185 HG12 ILE 532 2HG1 ILE 532 12.406 -2.688 -4.962 186 HG13 ILE 532 1HG1 ILE 532 13.451 -1.330 -5.355 187 HG21 ILE 532 1HG2 ILE 532 13.586 -0.569 -7.836 188 HG22 ILE 532 2HG2 ILE 532 12.059 0.111 -7.275 189 HG23 ILE 532 3HG2 ILE 532 12.112 -0.823 -8.770 190 HD11 ILE 532 3HD1 ILE 532 10.468 -1.195 -4.993 191 HD12 ILE 532 1HD1 ILE 532 11.527 0.160 -5.374 192 HD13 ILE 532 2HD1 ILE 532 11.683 -0.675 -3.829 193 HA PRO 533 HA PRO 533 8.745 -5.241 -4.899 194 HB2 PRO 533 2HB PRO 533 7.976 -7.362 -6.306 195 HB3 PRO 533 1HB PRO 533 7.203 -5.788 -6.525 196 HG2 PRO 533 2HG PRO 533 9.269 -7.136 -8.216 197 HG3 PRO 533 1HG PRO 533 7.843 -6.211 -8.717 198 HD2 PRO 533 2HD PRO 533 10.428 -5.212 -8.596 199 HD3 PRO 533 1HD PRO 533 8.955 -4.226 -8.587 200 H TYR 534 H TYR 534 10.574 -5.736 -3.615 201 HA TYR 534 HA TYR 534 11.410 -8.491 -3.834 202 HB2 TYR 534 2HB TYR 534 13.758 -6.812 -3.288 203 HB3 TYR 534 1HB TYR 534 13.622 -8.287 -4.231 204 HD1 TYR 534 2HD TYR 534 12.528 -8.018 -6.595 205 HD2 TYR 534 1HD TYR 534 14.189 -4.821 -4.335 206 HE1 TYR 534 2HE TYR 534 12.816 -6.716 -8.661 207 HE2 TYR 534 1HE TYR 534 14.490 -3.516 -6.386 208 HH TYR 534 HH TYR 534 14.755 -4.354 -9.084 209 H PHE 535 H PHE 535 12.195 -5.465 -2.138 210 HA PHE 535 HA PHE 535 12.325 -6.905 0.390 211 HB2 PHE 535 2HB PHE 535 13.222 -4.834 1.307 212 HB3 PHE 535 1HB PHE 535 14.085 -5.270 -0.164 213 HD1 PHE 535 2HD PHE 535 13.732 -3.994 -2.240 214 HD2 PHE 535 1HD PHE 535 11.915 -2.851 1.439 215 HE1 PHE 535 2HE PHE 535 13.264 -1.763 -3.164 216 HE2 PHE 535 1HE PHE 535 11.444 -0.619 0.518 217 HZ PHE 535 HZ PHE 535 12.119 -0.073 -1.787 218 H GLY 536 H GLY 536 9.763 -6.260 -1.147 219 HA2 GLY 536 2HA GLY 536 8.219 -4.313 0.007 220 HA3 GLY 536 1HA GLY 536 7.588 -5.869 -0.509 221 HA PRO 537 HA PRO 537 6.866 -7.123 3.657 222 HB2 PRO 537 2HB PRO 537 8.135 -9.485 4.042 223 HB3 PRO 537 1HB PRO 537 6.716 -9.321 3.001 224 HG2 PRO 537 2HG PRO 537 9.613 -9.424 2.252 225 HG3 PRO 537 1HG PRO 537 8.232 -10.233 1.490 226 HD2 PRO 537 2HD PRO 537 9.334 -7.966 0.493 227 HD3 PRO 537 1HD PRO 537 7.607 -8.344 0.329 228 H ALA 538 H ALA 538 10.026 -6.346 2.798 229 HA ALA 538 HA ALA 538 11.056 -6.631 5.524 230 HB1 ALA 538 1HB ALA 538 13.150 -5.650 4.123 231 HB2 ALA 538 2HB ALA 538 12.275 -6.500 2.849 232 HB3 ALA 538 3HB ALA 538 12.793 -7.369 4.294 233 H ALA 539 H ALA 539 10.071 -4.263 3.170 234 HA ALA 539 HA ALA 539 11.193 -2.024 4.599 235 HB1 ALA 539 1HB ALA 539 9.788 -2.461 2.068 236 HB2 ALA 539 2HB ALA 539 11.087 -1.336 2.465 237 HB3 ALA 539 3HB ALA 539 9.416 -0.930 2.861 238 H GLU 540 H GLU 540 8.365 -3.892 4.726 239 HA GLU 540 HA GLU 540 6.270 -2.375 5.371 240 HB2 GLU 540 2HB GLU 540 5.425 -4.177 6.642 241 HB3 GLU 540 1HB GLU 540 6.468 -4.875 5.407 242 HG2 GLU 540 2HG GLU 540 7.408 -6.023 7.050 243 HG3 GLU 540 1HG GLU 540 8.178 -4.507 7.516 244 H GLY 541 H GLY 541 6.229 -0.539 6.455 245 HA2 GLY 541 2HA GLY 541 5.863 0.499 8.561 246 HA3 GLY 541 1HA GLY 541 7.046 -0.582 9.268 247 H ILE 542 H ILE 542 8.589 0.320 6.585 248 HA ILE 542 HA ILE 542 9.878 2.551 7.988 249 HB ILE 542 HB ILE 542 10.981 1.089 5.601 250 HG12 ILE 542 2HG1 ILE 542 12.174 0.413 8.171 251 HG13 ILE 542 1HG1 ILE 542 10.479 -0.059 8.084 252 HG21 ILE 542 1HG2 ILE 542 13.141 1.901 6.747 253 HG22 ILE 542 2HG2 ILE 542 12.080 2.999 7.630 254 HG23 ILE 542 3HG2 ILE 542 12.160 3.075 5.870 255 HD11 ILE 542 3HD1 ILE 542 11.992 -0.734 5.699 256 HD12 ILE 542 1HD1 ILE 542 10.901 -1.717 6.673 257 HD13 ILE 542 2HD1 ILE 542 12.584 -1.521 7.164 258 H TYR 543 H TYR 543 8.294 1.707 4.971 259 HA TYR 543 HA TYR 543 7.475 4.290 4.401 260 HB2 TYR 543 2HB TYR 543 9.115 4.566 2.310 261 HB3 TYR 543 1HB TYR 543 9.484 5.235 3.894 262 HD1 TYR 543 2HD TYR 543 9.720 1.639 3.046 263 HD2 TYR 543 1HD TYR 543 11.851 5.267 3.683 264 HE1 TYR 543 2HE TYR 543 11.834 0.385 3.084 265 HE2 TYR 543 1HE TYR 543 13.970 4.022 3.720 266 HH TYR 543 HH TYR 543 14.134 0.678 4.019 267 H ILE 544 H ILE 544 8.926 2.835 1.612 268 HA ILE 544 HA ILE 544 6.577 2.564 0.198 269 HB ILE 544 HB ILE 544 8.984 0.800 -0.223 270 HG12 ILE 544 2HG1 ILE 544 9.033 3.135 -1.873 271 HG13 ILE 544 1HG1 ILE 544 8.874 3.646 -0.195 272 HG21 ILE 544 1HG2 ILE 544 7.964 0.159 -2.084 273 HG22 ILE 544 2HG2 ILE 544 7.781 1.835 -2.599 274 HG23 ILE 544 3HG2 ILE 544 6.542 1.082 -1.596 275 HD11 ILE 544 3HD1 ILE 544 11.174 3.571 -0.627 276 HD12 ILE 544 1HD1 ILE 544 11.056 2.011 -1.441 277 HD13 ILE 544 2HD1 ILE 544 10.826 2.114 0.304 278 H GLU 545 H GLU 545 8.452 -0.250 1.290 279 HA GLU 545 HA GLU 545 7.840 -2.272 2.125 280 HB2 GLU 545 2HB GLU 545 5.025 -1.361 2.558 281 HB3 GLU 545 1HB GLU 545 6.010 -2.448 3.527 282 HG2 GLU 545 2HG GLU 545 6.942 -0.765 4.720 283 HG3 GLU 545 1HG GLU 545 6.929 0.357 3.368 284 H GLY 546 H GLY 546 6.210 -4.099 1.772 285 HA2 GLY 546 2HA GLY 546 5.861 -4.399 -1.054 286 HA3 GLY 546 1HA GLY 546 5.412 -5.568 0.181 287 H LEU 547 H LEU 547 4.414 -2.420 -1.116 288 HA LEU 547 HA LEU 547 1.624 -3.325 -0.986 289 HB2 LEU 547 2HB LEU 547 0.997 -1.023 -0.230 290 HB3 LEU 547 1HB LEU 547 1.867 -1.974 0.962 291 HG LEU 547 HG LEU 547 3.970 -0.767 0.136 292 HD11 LEU 547 1HD1 LEU 547 3.336 1.582 -0.703 293 HD12 LEU 547 2HD1 LEU 547 1.816 0.830 -1.195 294 HD13 LEU 547 3HD1 LEU 547 3.342 0.245 -1.856 295 HD21 LEU 547 3HD2 LEU 547 2.868 1.428 1.371 296 HD22 LEU 547 1HD2 LEU 547 3.600 0.042 2.180 297 HD23 LEU 547 2HD2 LEU 547 1.853 0.101 1.936 298 H MET 548 H MET 548 3.262 -3.296 -3.265 299 HA MET 548 HA MET 548 3.020 -0.921 -4.778 300 HB2 MET 548 2HB MET 548 3.135 -3.606 -6.071 301 HB3 MET 548 1HB MET 548 3.886 -2.101 -6.567 302 HG2 MET 548 2HG MET 548 5.777 -2.760 -5.632 303 HG3 MET 548 1HG MET 548 4.983 -2.755 -4.059 304 HE1 MET 548 3HE MET 548 4.766 -4.431 -2.676 305 HE2 MET 548 1HE MET 548 5.010 -6.161 -2.923 306 HE3 MET 548 2HE MET 548 3.463 -5.420 -3.334 307 H HIS 549 H HIS 549 0.515 -1.667 -3.576 308 HA HIS 549 HA HIS 549 -1.120 -2.130 -5.979 309 HB2 HIS 549 2HB HIS 549 -2.206 -2.456 -3.204 310 HB3 HIS 549 1HB HIS 549 -2.712 -3.241 -4.698 311 HD1 HIS 549 1HD HIS 549 -0.574 -4.841 -5.688 312 HD2 HIS 549 2HD HIS 549 -0.914 -4.200 -1.599 313 HE1 HIS 549 1HE HIS 549 0.755 -6.677 -4.607 314 HE2 HIS 549 2HE HIS 549 0.445 -6.334 -2.131 315 H ASN 550 H ASN 550 -0.120 0.106 -3.690 316 HA ASN 550 HA ASN 550 -0.666 2.270 -3.252 317 HB2 ASN 550 2HB ASN 550 -2.108 1.785 -5.832 318 HB3 ASN 550 1HB ASN 550 -2.388 3.288 -4.962 319 HD21 ASN 550 1HD2 ASN 550 0.684 1.620 -4.873 320 HD22 ASN 550 2HD2 ASN 550 1.558 2.781 -5.801 321 H GLN 551 H GLN 551 -3.244 -0.063 -3.475 322 HA GLN 551 HA GLN 551 -5.017 -0.415 -2.121 323 HB2 GLN 551 2HB GLN 551 -4.420 2.198 -0.748 324 HB3 GLN 551 1HB GLN 551 -5.379 0.854 -0.147 325 HG2 GLN 551 2HG GLN 551 -3.282 -0.532 -0.257 326 HG3 GLN 551 1HG GLN 551 -2.410 0.976 -0.516 327 HE21 GLN 551 1HE2 GLN 551 -3.481 -1.178 1.761 328 HE22 GLN 551 2HE2 GLN 551 -3.362 -0.180 3.167 329 H ASP 552 H ASP 552 -6.961 -0.252 -2.844 330 HA ASP 552 HA ASP 552 -8.204 2.300 -3.392 331 HB2 ASP 552 2HB ASP 552 -6.868 1.237 -5.483 332 HB3 ASP 552 1HB ASP 552 -8.427 0.442 -5.686 333 H GLY 553 H GLY 553 -9.083 0.825 -1.422 334 HA2 GLY 553 2HA GLY 553 -11.086 0.011 -0.622 335 HA3 GLY 553 1HA GLY 553 -11.710 0.054 -2.262 336 H LEU 554 H LEU 554 -8.991 -1.724 -0.816 337 HA LEU 554 HA LEU 554 -10.193 -4.206 -1.850 338 HB2 LEU 554 2HB LEU 554 -7.319 -3.879 -1.044 339 HB3 LEU 554 1HB LEU 554 -8.029 -5.116 -2.063 340 HG LEU 554 HG LEU 554 -7.609 -2.219 -2.792 341 HD11 LEU 554 1HD1 LEU 554 -6.117 -4.712 -3.238 342 HD12 LEU 554 2HD1 LEU 554 -5.559 -3.040 -3.214 343 HD13 LEU 554 3HD1 LEU 554 -6.332 -3.691 -4.659 344 HD21 LEU 554 3HD2 LEU 554 -8.343 -3.114 -5.082 345 HD22 LEU 554 1HD2 LEU 554 -9.594 -2.787 -3.881 346 HD23 LEU 554 2HD2 LEU 554 -9.067 -4.444 -4.176 347 H ILE 555 H ILE 555 -9.185 -2.536 0.970 348 HA ILE 555 HA ILE 555 -9.442 -4.971 2.591 349 HB ILE 555 HB ILE 555 -8.235 -2.356 3.473 350 HG12 ILE 555 2HG1 ILE 555 -6.282 -4.424 3.087 351 HG13 ILE 555 1HG1 ILE 555 -7.181 -4.201 1.589 352 HG21 ILE 555 1HG2 ILE 555 -7.074 -4.295 4.943 353 HG22 ILE 555 2HG2 ILE 555 -8.669 -4.998 4.678 354 HG23 ILE 555 3HG2 ILE 555 -8.519 -3.411 5.434 355 HD11 ILE 555 3HD1 ILE 555 -5.020 -2.768 2.283 356 HD12 ILE 555 1HD1 ILE 555 -6.301 -1.734 2.915 357 HD13 ILE 555 2HD1 ILE 555 -6.290 -2.179 1.208 358 H CYS 556 H CYS 556 -10.800 -1.868 1.936 359 HA CYS 556 HA CYS 556 -12.408 -1.828 4.342 360 HB2 CYS 556 2HB CYS 556 -11.400 0.208 3.011 361 HB3 CYS 556 1HB CYS 556 -12.852 0.032 2.038 362 H GLY 557 H GLY 557 -12.708 -4.022 2.467 363 HA2 GLY 557 2HA GLY 557 -15.345 -4.570 2.593 364 HA3 GLY 557 1HA GLY 557 -15.187 -3.662 1.091 365 H LEU 558 H LEU 558 -15.080 -4.947 -0.574 366 HA LEU 558 HA LEU 558 -13.137 -7.073 -0.659 367 HB2 LEU 558 2HB LEU 558 -15.753 -8.041 -1.572 368 HB3 LEU 558 1HB LEU 558 -14.486 -8.876 -0.695 369 HG LEU 558 HG LEU 558 -16.243 -6.890 0.710 370 HD11 LEU 558 1HD1 LEU 558 -16.881 -9.815 0.419 371 HD12 LEU 558 2HD1 LEU 558 -17.663 -8.539 -0.516 372 HD13 LEU 558 3HD1 LEU 558 -17.832 -8.576 1.239 373 HD21 LEU 558 3HD2 LEU 558 -14.073 -8.501 1.462 374 HD22 LEU 558 1HD2 LEU 558 -15.503 -9.253 2.167 375 HD23 LEU 558 2HD2 LEU 558 -15.133 -7.563 2.514 376 H ARG 559 H ARG 559 -15.760 -5.325 -2.234 377 HA ARG 559 HA ARG 559 -14.197 -5.326 -4.710 378 HB2 ARG 559 2HB ARG 559 -16.472 -5.517 -5.921 379 HB3 ARG 559 1HB ARG 559 -15.738 -6.981 -5.281 380 HG2 ARG 559 2HG ARG 559 -17.327 -7.249 -3.681 381 HG3 ARG 559 1HG ARG 559 -17.620 -5.516 -3.524 382 HD2 ARG 559 2HD ARG 559 -18.487 -5.874 -6.027 383 HD3 ARG 559 1HD ARG 559 -18.802 -7.487 -5.387 384 HE ARG 559 HE ARG 559 -20.500 -6.619 -4.116 385 HH11 ARG 559 1HH1 ARG 559 -18.538 -4.001 -5.333 386 HH12 ARG 559 2HH1 ARG 559 -19.632 -2.769 -4.799 387 HH21 ARG 559 1HH2 ARG 559 -21.938 -4.999 -3.415 388 HH22 ARG 559 2HH2 ARG 559 -21.562 -3.335 -3.710 389 H GLN 560 H GLN 560 -14.259 -3.289 -2.872 390 HA GLN 560 HA GLN 560 -16.148 -1.327 -2.975 391 HB2 GLN 560 2HB GLN 560 -13.147 -0.982 -3.024 392 HB3 GLN 560 1HB GLN 560 -14.280 0.316 -2.687 393 HG2 GLN 560 2HG GLN 560 -13.548 -2.043 -1.014 394 HG3 GLN 560 1HG GLN 560 -13.623 -0.335 -0.577 395 HE21 GLN 560 1HE2 GLN 560 -15.531 -3.195 -1.270 396 HE22 GLN 560 2HE2 GLN 560 -16.945 -2.697 -0.415 Start of MODEL 20 1 H1 ALA 507 1HT ALA 507 -10.225 -10.294 -1.493 2 H2 ALA 507 2HT ALA 507 -11.471 -11.314 -2.088 3 H3 ALA 507 3HT ALA 507 -10.425 -11.867 -0.844 4 HA ALA 507 HA ALA 507 -12.123 -9.502 -0.528 5 HB1 ALA 507 2HB ALA 507 -12.974 -12.123 0.577 6 HB2 ALA 507 3HB ALA 507 -13.277 -11.805 -1.131 7 HB3 ALA 507 1HB ALA 507 -13.939 -10.727 0.097 8 H GLN 508 H GLN 508 -12.155 -8.757 1.574 9 HA GLN 508 HA GLN 508 -11.168 -10.124 3.813 10 HB2 GLN 508 2HB GLN 508 -9.058 -8.715 4.098 11 HB3 GLN 508 1HB GLN 508 -8.985 -10.045 2.951 12 HG2 GLN 508 2HG GLN 508 -9.501 -8.365 1.147 13 HG3 GLN 508 1HG GLN 508 -9.238 -7.112 2.359 14 HE21 GLN 508 1HE2 GLN 508 -7.109 -7.668 3.680 15 HE22 GLN 508 2HE2 GLN 508 -5.725 -7.930 2.682 16 HA PRO 509 HA PRO 509 -13.189 -6.393 5.281 17 HB2 PRO 509 2HB PRO 509 -14.155 -7.354 7.509 18 HB3 PRO 509 1HB PRO 509 -14.654 -8.111 5.985 19 HG2 PRO 509 2HG PRO 509 -12.536 -8.985 7.917 20 HG3 PRO 509 1HG PRO 509 -13.831 -9.958 7.191 21 HD2 PRO 509 2HD PRO 509 -11.238 -9.810 6.225 22 HD3 PRO 509 1HD PRO 509 -12.646 -10.261 5.243 23 H LYS 510 H LYS 510 -11.851 -4.816 5.890 24 HA LYS 510 HA LYS 510 -10.731 -4.843 8.555 25 HB2 LYS 510 2HB LYS 510 -9.068 -4.945 6.106 26 HB3 LYS 510 1HB LYS 510 -8.542 -3.851 7.378 27 HG2 LYS 510 2HG LYS 510 -8.089 -5.552 8.845 28 HG3 LYS 510 1HG LYS 510 -9.240 -6.654 8.086 29 HD2 LYS 510 2HD LYS 510 -7.032 -5.825 6.348 30 HD3 LYS 510 1HD LYS 510 -6.532 -6.751 7.764 31 HE2 LYS 510 2HE LYS 510 -8.643 -8.216 6.954 32 HE3 LYS 510 1HE LYS 510 -8.094 -7.580 5.404 33 HZ1 LYS 510 3HZ LYS 510 -6.832 -9.505 7.167 34 HZ2 LYS 510 1HZ LYS 510 -5.786 -8.367 6.477 35 HZ3 LYS 510 2HZ LYS 510 -6.738 -9.352 5.486 36 H CYS 511 H CYS 511 -10.822 -3.072 5.535 37 HA CYS 511 HA CYS 511 -11.509 -0.984 5.015 38 HB2 CYS 511 2HB CYS 511 -12.678 -1.336 7.638 39 HB3 CYS 511 1HB CYS 511 -12.237 0.341 7.341 40 H ASN 512 H ASN 512 -8.891 -1.477 5.338 41 HA ASN 512 HA ASN 512 -7.965 1.149 6.236 42 HB2 ASN 512 2HB ASN 512 -7.297 -0.453 7.957 43 HB3 ASN 512 1HB ASN 512 -6.533 -1.467 6.740 44 HD21 ASN 512 1HD2 ASN 512 -6.229 1.936 6.301 45 HD22 ASN 512 2HD2 ASN 512 -4.596 2.072 6.839 46 HA PRO 513 HA PRO 513 -6.221 -0.265 2.062 47 HB2 PRO 513 2HB PRO 513 -8.081 0.234 0.243 48 HB3 PRO 513 1HB PRO 513 -8.174 -1.225 1.230 49 HG2 PRO 513 2HG PRO 513 -9.645 1.368 1.559 50 HG3 PRO 513 1HG PRO 513 -10.268 -0.287 1.662 51 HD2 PRO 513 2HD PRO 513 -9.559 1.243 3.843 52 HD3 PRO 513 1HD PRO 513 -9.599 -0.529 3.825 53 H ASN 514 H ASN 514 -8.259 2.005 0.515 54 HA ASN 514 HA ASN 514 -6.092 3.846 0.253 55 HB2 ASN 514 2HB ASN 514 -7.416 4.941 -1.389 56 HB3 ASN 514 1HB ASN 514 -7.696 3.214 -1.583 57 HD21 ASN 514 1HD2 ASN 514 -9.720 2.815 -2.067 58 HD22 ASN 514 2HD2 ASN 514 -11.107 3.621 -1.428 59 H LEU 515 H LEU 515 -8.062 3.463 2.769 60 HA LEU 515 HA LEU 515 -8.561 6.315 3.191 61 HB2 LEU 515 2HB LEU 515 -9.498 3.917 4.772 62 HB3 LEU 515 1HB LEU 515 -9.943 5.585 5.092 63 HG LEU 515 HG LEU 515 -11.785 4.671 3.947 64 HD11 LEU 515 1HD1 LEU 515 -11.188 6.848 3.091 65 HD12 LEU 515 2HD1 LEU 515 -11.796 5.844 1.773 66 HD13 LEU 515 3HD1 LEU 515 -10.061 6.125 1.942 67 HD21 LEU 515 3HD2 LEU 515 -10.534 3.762 1.494 68 HD22 LEU 515 1HD2 LEU 515 -11.678 2.934 2.550 69 HD23 LEU 515 2HD2 LEU 515 -9.950 2.874 2.899 70 H HIS 516 H HIS 516 -5.956 5.641 3.170 71 HA HIS 516 HA HIS 516 -4.880 6.745 5.432 72 HB2 HIS 516 2HB HIS 516 -5.696 4.083 5.980 73 HB3 HIS 516 1HB HIS 516 -3.937 4.074 5.906 74 HD1 HIS 516 1HD HIS 516 -5.788 3.762 8.513 75 HD2 HIS 516 2HD HIS 516 -3.664 7.135 7.339 76 HE1 HIS 516 1HE HIS 516 -5.422 5.091 10.616 77 HE2 HIS 516 2HE HIS 516 -4.207 7.168 9.868 78 H TYR 517 H TYR 517 -4.547 4.440 2.842 79 HA TYR 517 HA TYR 517 -1.903 4.011 2.525 80 HB2 TYR 517 2HB TYR 517 -2.307 3.647 0.232 81 HB3 TYR 517 1HB TYR 517 -3.855 3.349 1.007 82 HD1 TYR 517 1HD TYR 517 -5.256 5.712 1.256 83 HD2 TYR 517 2HD TYR 517 -2.464 4.729 -1.795 84 HE1 TYR 517 1HE TYR 517 -6.347 7.324 -0.247 85 HE2 TYR 517 2HE TYR 517 -3.539 6.342 -3.307 86 HH TYR 517 HH TYR 517 -6.535 7.597 -2.829 87 H TRP 518 H TRP 518 -3.568 7.018 1.722 88 HA TRP 518 HA TRP 518 -1.381 8.355 0.539 89 HB2 TRP 518 2HB TRP 518 -2.759 10.431 1.227 90 HB3 TRP 518 1HB TRP 518 -3.503 9.287 0.111 91 HD1 TRP 518 HD TRP 518 -3.393 8.377 3.800 92 HE1 TRP 518 1HE TRP 518 -5.773 8.440 4.755 93 HE3 TRP 518 3HE TRP 518 -5.797 10.473 -0.187 94 HZ2 TRP 518 2HZ TRP 518 -8.346 9.279 3.929 95 HZ3 TRP 518 3HZ TRP 518 -8.222 10.874 -0.028 96 HH2 TRP 518 HH TRP 518 -9.468 10.286 1.989 97 H THR 519 H THR 519 0.373 7.831 1.998 98 HA THR 519 HA THR 519 0.878 9.882 3.901 99 HB THR 519 HB THR 519 -0.596 8.666 5.319 100 HG1 THR 519 1HG THR 519 0.826 8.939 6.819 101 HG21 THR 519 3HG2 THR 519 -0.201 6.476 3.916 102 HG22 THR 519 1HG2 THR 519 -0.762 6.428 5.590 103 HG23 THR 519 2HG2 THR 519 0.940 6.144 5.222 104 H THR 520 H THR 520 1.660 6.480 3.311 105 HA THR 520 HA THR 520 4.495 7.225 3.093 106 HB THR 520 HB THR 520 3.898 5.877 5.144 107 HG1 THR 520 1HG THR 520 5.668 4.534 4.902 108 HG21 THR 520 3HG2 THR 520 2.689 4.038 5.017 109 HG22 THR 520 1HG2 THR 520 3.901 3.306 3.965 110 HG23 THR 520 2HG2 THR 520 2.566 4.226 3.269 111 H GLN 521 H GLN 521 1.765 5.994 1.575 112 HA GLN 521 HA GLN 521 3.247 4.385 -0.315 113 HB2 GLN 521 2HB GLN 521 1.270 3.373 -0.872 114 HB3 GLN 521 1HB GLN 521 0.857 3.911 0.750 115 HG2 GLN 521 2HG GLN 521 -0.982 4.540 -0.474 116 HG3 GLN 521 1HG GLN 521 -0.036 6.024 -0.429 117 HE21 GLN 521 1HE2 GLN 521 -0.395 7.016 -2.273 118 HE22 GLN 521 2HE2 GLN 521 -0.269 6.312 -3.846 119 H ASP 522 H ASP 522 1.440 7.331 -0.102 120 HA ASP 522 HA ASP 522 1.822 7.974 -2.905 121 HB2 ASP 522 2HB ASP 522 -0.147 8.597 -1.103 122 HB3 ASP 522 1HB ASP 522 0.788 10.087 -1.158 123 H GLU 523 H GLU 523 3.772 8.003 -0.395 124 HA GLU 523 HA GLU 523 5.313 10.292 -1.369 125 HB2 GLU 523 2HB GLU 523 5.376 9.700 1.551 126 HB3 GLU 523 1HB GLU 523 5.617 11.228 0.714 127 HG2 GLU 523 2HG GLU 523 3.070 10.926 0.136 128 HG3 GLU 523 1HG GLU 523 3.097 9.912 1.581 129 H GLY 524 H GLY 524 5.096 7.158 0.033 130 HA2 GLY 524 2HA GLY 524 8.006 6.800 -0.251 131 HA3 GLY 524 1HA GLY 524 7.006 5.899 0.880 132 H ALA 525 H ALA 525 4.854 5.694 -1.205 133 HA ALA 525 HA ALA 525 6.070 3.496 -2.737 134 HB1 ALA 525 1HB ALA 525 3.950 2.411 -2.735 135 HB2 ALA 525 2HB ALA 525 3.140 3.857 -2.123 136 HB3 ALA 525 3HB ALA 525 4.244 2.957 -1.083 137 H ALA 526 H ALA 526 5.999 6.365 -3.415 138 HA ALA 526 HA ALA 526 4.826 6.087 -6.081 139 HB1 ALA 526 1HB ALA 526 4.216 8.311 -4.158 140 HB2 ALA 526 2HB ALA 526 3.083 7.191 -4.917 141 HB3 ALA 526 3HB ALA 526 3.900 8.413 -5.890 142 H ILE 527 H ILE 527 7.452 6.923 -4.244 143 HA ILE 527 HA ILE 527 8.612 8.432 -6.473 144 HB ILE 527 HB ILE 527 9.864 9.445 -4.178 145 HG12 ILE 527 2HG1 ILE 527 7.656 8.519 -3.098 146 HG13 ILE 527 1HG1 ILE 527 8.252 10.111 -2.652 147 HG21 ILE 527 1HG2 ILE 527 8.177 10.438 -6.374 148 HG22 ILE 527 2HG2 ILE 527 9.752 10.990 -5.806 149 HG23 ILE 527 3HG2 ILE 527 8.286 11.484 -4.959 150 HD11 ILE 527 3HD1 ILE 527 6.561 11.198 -3.769 151 HD12 ILE 527 1HD1 ILE 527 5.737 9.752 -3.184 152 HD13 ILE 527 2HD1 ILE 527 6.270 9.846 -4.863 153 H GLY 528 H GLY 528 9.180 6.538 -3.534 154 HA2 GLY 528 2HA GLY 528 11.968 6.210 -3.923 155 HA3 GLY 528 1HA GLY 528 10.948 5.220 -2.892 156 H LEU 529 H LEU 529 11.041 3.148 -3.399 157 HA LEU 529 HA LEU 529 11.146 2.407 -6.244 158 HB2 LEU 529 2HB LEU 529 12.575 0.844 -4.114 159 HB3 LEU 529 1HB LEU 529 12.761 0.734 -5.854 160 HG LEU 529 HG LEU 529 13.673 3.024 -4.109 161 HD11 LEU 529 1HD1 LEU 529 15.841 2.255 -4.379 162 HD12 LEU 529 2HD1 LEU 529 15.420 1.245 -5.761 163 HD13 LEU 529 3HD1 LEU 529 14.927 0.766 -4.137 164 HD21 LEU 529 3HD2 LEU 529 14.570 2.847 -6.901 165 HD22 LEU 529 1HD2 LEU 529 14.115 4.252 -5.940 166 HD23 LEU 529 2HD2 LEU 529 12.868 3.255 -6.687 167 H ALA 530 H ALA 530 8.741 2.513 -5.157 168 HA ALA 530 HA ALA 530 8.021 -0.042 -3.983 169 HB1 ALA 530 1HB ALA 530 6.765 1.673 -3.056 170 HB2 ALA 530 2HB ALA 530 5.662 0.968 -4.239 171 HB3 ALA 530 3HB ALA 530 6.518 2.463 -4.614 172 H TRP 531 H TRP 531 8.748 0.905 -6.978 173 HA TRP 531 HA TRP 531 6.678 -0.649 -8.346 174 HB2 TRP 531 2HB TRP 531 8.316 0.305 -10.325 175 HB3 TRP 531 1HB TRP 531 6.893 1.149 -9.724 176 HD1 TRP 531 HD TRP 531 10.702 1.051 -9.066 177 HE1 TRP 531 1HE TRP 531 11.430 3.380 -8.273 178 HE3 TRP 531 3HE TRP 531 6.125 3.320 -8.897 179 HZ2 TRP 531 2HZ TRP 531 10.230 5.865 -7.663 180 HZ3 TRP 531 3HZ TRP 531 6.001 5.675 -8.193 181 HH2 TRP 531 HH TRP 531 8.012 6.921 -7.585 182 H ILE 532 H ILE 532 9.035 -1.619 -6.653 183 HA ILE 532 HA ILE 532 9.928 -3.630 -8.578 184 HB ILE 532 HB ILE 532 12.212 -3.376 -8.222 185 HG12 ILE 532 2HG1 ILE 532 11.545 -1.660 -5.818 186 HG13 ILE 532 1HG1 ILE 532 12.265 -3.266 -5.803 187 HG21 ILE 532 1HG2 ILE 532 11.489 -0.486 -7.983 188 HG22 ILE 532 2HG2 ILE 532 10.982 -1.413 -9.398 189 HG23 ILE 532 3HG2 ILE 532 12.696 -1.262 -9.011 190 HD11 ILE 532 3HD1 ILE 532 14.328 -2.489 -6.254 191 HD12 ILE 532 1HD1 ILE 532 13.676 -1.009 -5.554 192 HD13 ILE 532 2HD1 ILE 532 13.739 -1.202 -7.304 193 HA PRO 533 HA PRO 533 9.080 -6.019 -4.862 194 HB2 PRO 533 2HB PRO 533 8.846 -8.407 -6.031 195 HB3 PRO 533 1HB PRO 533 7.618 -7.158 -6.275 196 HG2 PRO 533 2HG PRO 533 9.811 -8.043 -8.096 197 HG3 PRO 533 1HG PRO 533 8.154 -7.555 -8.488 198 HD2 PRO 533 2HD PRO 533 10.418 -5.936 -8.690 199 HD3 PRO 533 1HD PRO 533 8.739 -5.366 -8.661 200 H TYR 534 H TYR 534 11.577 -5.251 -4.779 201 HA TYR 534 HA TYR 534 13.288 -7.631 -4.947 202 HB2 TYR 534 2HB TYR 534 14.584 -6.158 -6.050 203 HB3 TYR 534 1HB TYR 534 13.660 -4.786 -5.460 204 HD1 TYR 534 1HD TYR 534 15.946 -7.291 -3.842 205 HD2 TYR 534 2HD TYR 534 14.995 -3.202 -4.520 206 HE1 TYR 534 1HE TYR 534 17.829 -6.619 -2.408 207 HE2 TYR 534 2HE TYR 534 16.861 -2.515 -3.089 208 HH TYR 534 HH TYR 534 19.220 -3.793 -2.402 209 H PHE 535 H PHE 535 12.373 -4.986 -2.768 210 HA PHE 535 HA PHE 535 13.447 -6.593 -0.544 211 HB2 PHE 535 2HB PHE 535 13.781 -4.441 0.675 212 HB3 PHE 535 1HB PHE 535 14.794 -4.613 -0.750 213 HD1 PHE 535 2HD PHE 535 13.713 -3.593 -2.949 214 HD2 PHE 535 1HD PHE 535 12.735 -2.431 1.019 215 HE1 PHE 535 2HE PHE 535 12.933 -1.425 -3.794 216 HE2 PHE 535 1HE PHE 535 11.940 -0.256 0.188 217 HZ PHE 535 HZ PHE 535 12.038 0.251 -2.219 218 H GLY 536 H GLY 536 10.916 -4.379 -1.591 219 HA2 GLY 536 2HA GLY 536 8.903 -3.801 -0.566 220 HA3 GLY 536 1HA GLY 536 8.702 -5.540 -0.677 221 HA PRO 537 HA PRO 537 8.001 -5.763 3.676 222 HB2 PRO 537 2HB PRO 537 9.270 -8.165 4.209 223 HB3 PRO 537 1HB PRO 537 7.626 -7.997 3.588 224 HG2 PRO 537 2HG PRO 537 10.165 -8.545 2.107 225 HG3 PRO 537 1HG PRO 537 8.554 -9.251 1.874 226 HD2 PRO 537 2HD PRO 537 9.475 -7.354 0.235 227 HD3 PRO 537 1HD PRO 537 7.769 -7.385 0.728 228 H ALA 538 H ALA 538 11.061 -5.294 2.417 229 HA ALA 538 HA ALA 538 12.608 -5.640 4.791 230 HB1 ALA 538 1HB ALA 538 14.433 -5.041 3.543 231 HB2 ALA 538 2HB ALA 538 13.528 -3.878 2.576 232 HB3 ALA 538 3HB ALA 538 13.351 -5.605 2.269 233 H ALA 539 H ALA 539 10.910 -2.989 3.229 234 HA ALA 539 HA ALA 539 11.974 -0.973 4.965 235 HB1 ALA 539 1HB ALA 539 10.819 0.508 3.691 236 HB2 ALA 539 2HB ALA 539 9.375 -0.506 3.648 237 HB3 ALA 539 3HB ALA 539 10.731 -0.855 2.575 238 H GLU 540 H GLU 540 9.134 -2.947 4.706 239 HA GLU 540 HA GLU 540 7.274 -3.168 6.031 240 HB2 GLU 540 2HB GLU 540 7.877 -4.436 7.935 241 HB3 GLU 540 1HB GLU 540 9.083 -4.731 6.687 242 HG2 GLU 540 2HG GLU 540 10.678 -3.364 7.780 243 HG3 GLU 540 1HG GLU 540 9.474 -2.747 8.910 244 H GLY 541 H GLY 541 7.936 -0.344 5.996 245 HA2 GLY 541 2HA GLY 541 6.247 0.873 7.544 246 HA3 GLY 541 1HA GLY 541 7.399 0.425 8.784 247 H ILE 542 H ILE 542 9.026 1.172 5.919 248 HA ILE 542 HA ILE 542 9.652 3.823 7.011 249 HB ILE 542 HB ILE 542 11.192 2.351 4.886 250 HG12 ILE 542 2HG1 ILE 542 12.309 2.473 7.606 251 HG13 ILE 542 1HG1 ILE 542 10.894 1.437 7.440 252 HG21 ILE 542 1HG2 ILE 542 11.667 4.797 6.541 253 HG22 ILE 542 2HG2 ILE 542 11.824 4.581 4.797 254 HG23 ILE 542 3HG2 ILE 542 13.021 3.878 5.885 255 HD11 ILE 542 3HD1 ILE 542 13.607 0.985 6.611 256 HD12 ILE 542 1HD1 ILE 542 12.484 0.814 5.261 257 HD13 ILE 542 2HD1 ILE 542 12.255 -0.144 6.724 258 H TYR 543 H TYR 543 8.638 2.174 4.072 259 HA TYR 543 HA TYR 543 7.270 4.474 3.128 260 HB2 TYR 543 2HB TYR 543 8.838 4.229 0.886 261 HB3 TYR 543 1HB TYR 543 8.961 5.512 2.081 262 HD1 TYR 543 1HD TYR 543 10.069 1.952 2.360 263 HD2 TYR 543 2HD TYR 543 11.224 6.040 2.108 264 HE1 TYR 543 1HE TYR 543 12.403 1.313 2.787 265 HE2 TYR 543 2HE TYR 543 13.560 5.411 2.538 266 HH TYR 543 HH TYR 543 14.838 2.677 2.111 267 H ILE 544 H ILE 544 8.904 2.242 0.959 268 HA ILE 544 HA ILE 544 6.540 1.433 -0.314 269 HB ILE 544 HB ILE 544 9.210 0.028 -0.259 270 HG12 ILE 544 2HG1 ILE 544 9.020 1.349 -2.655 271 HG13 ILE 544 1HG1 ILE 544 8.247 2.483 -1.551 272 HG21 ILE 544 1HG2 ILE 544 8.531 -0.990 -2.345 273 HG22 ILE 544 2HG2 ILE 544 6.990 -0.134 -2.292 274 HG23 ILE 544 3HG2 ILE 544 7.356 -1.366 -1.085 275 HD11 ILE 544 3HD1 ILE 544 11.033 1.894 -1.915 276 HD12 ILE 544 1HD1 ILE 544 10.553 1.647 -0.237 277 HD13 ILE 544 2HD1 ILE 544 10.264 3.203 -1.016 278 H GLU 545 H GLU 545 8.676 -0.447 1.823 279 HA GLU 545 HA GLU 545 8.313 -2.281 3.108 280 HB2 GLU 545 2HB GLU 545 5.432 -1.764 3.471 281 HB3 GLU 545 1HB GLU 545 6.696 -2.015 4.664 282 HG2 GLU 545 2HG GLU 545 7.460 0.312 4.270 283 HG3 GLU 545 1HG GLU 545 6.081 0.535 3.196 284 H GLY 546 H GLY 546 5.633 -3.650 3.319 285 HA2 GLY 546 2HA GLY 546 5.939 -5.262 0.906 286 HA3 GLY 546 1HA GLY 546 5.037 -5.710 2.345 287 H LEU 547 H LEU 547 4.602 -2.588 0.957 288 HA LEU 547 HA LEU 547 1.928 -3.389 0.046 289 HB2 LEU 547 2HB LEU 547 1.161 -1.249 0.583 290 HB3 LEU 547 1HB LEU 547 2.262 -1.637 1.898 291 HG LEU 547 HG LEU 547 3.959 -0.445 0.205 292 HD11 LEU 547 1HD1 LEU 547 1.455 1.167 -0.137 293 HD12 LEU 547 2HD1 LEU 547 2.010 -0.004 -1.336 294 HD13 LEU 547 3HD1 LEU 547 3.018 1.383 -0.924 295 HD21 LEU 547 3HD2 LEU 547 2.556 0.271 2.615 296 HD22 LEU 547 1HD2 LEU 547 2.897 1.698 1.635 297 HD23 LEU 547 2HD2 LEU 547 4.214 0.632 2.130 298 H MET 548 H MET 548 1.677 -3.478 -2.057 299 HA MET 548 HA MET 548 3.088 -1.572 -3.771 300 HB2 MET 548 2HB MET 548 2.940 -4.533 -4.303 301 HB3 MET 548 1HB MET 548 3.639 -3.327 -5.374 302 HG2 MET 548 2HG MET 548 5.578 -3.411 -4.312 303 HG3 MET 548 1HG MET 548 4.803 -3.119 -2.763 304 HE1 MET 548 3HE MET 548 4.341 -6.189 -1.035 305 HE2 MET 548 1HE MET 548 3.074 -6.229 -2.262 306 HE3 MET 548 2HE MET 548 3.553 -4.693 -1.539 307 H HIS 549 H HIS 549 0.237 -2.374 -2.769 308 HA HIS 549 HA HIS 549 -1.059 -2.474 -5.400 309 HB2 HIS 549 2HB HIS 549 -2.540 -2.742 -2.803 310 HB3 HIS 549 1HB HIS 549 -2.944 -3.402 -4.383 311 HD1 HIS 549 1HD HIS 549 -0.924 -5.245 -5.185 312 HD2 HIS 549 2HD HIS 549 -1.689 -4.682 -1.139 313 HE1 HIS 549 1HE HIS 549 -0.008 -7.285 -4.037 314 HE2 HIS 549 2HE HIS 549 -0.572 -6.968 -1.602 315 H ASN 550 H ASN 550 -0.171 -0.378 -2.938 316 HA ASN 550 HA ASN 550 -0.523 1.845 -2.590 317 HB2 ASN 550 2HB ASN 550 -2.037 1.563 -5.186 318 HB3 ASN 550 1HB ASN 550 -1.930 3.094 -4.326 319 HD21 ASN 550 1HD2 ASN 550 0.295 0.463 -5.215 320 HD22 ASN 550 2HD2 ASN 550 1.528 1.497 -5.840 321 H GLN 551 H GLN 551 -3.235 -0.292 -2.964 322 HA GLN 551 HA GLN 551 -5.079 -0.541 -1.681 323 HB2 GLN 551 2HB GLN 551 -4.432 2.035 -0.274 324 HB3 GLN 551 1HB GLN 551 -5.429 0.701 0.288 325 HG2 GLN 551 2HG GLN 551 -3.357 -0.719 0.220 326 HG3 GLN 551 1HG GLN 551 -2.450 0.776 -0.003 327 HE21 GLN 551 1HE2 GLN 551 -3.551 -1.388 2.225 328 HE22 GLN 551 2HE2 GLN 551 -3.475 -0.404 3.643 329 H ASP 552 H ASP 552 -6.963 -0.281 -2.476 330 HA ASP 552 HA ASP 552 -8.090 2.314 -3.057 331 HB2 ASP 552 2HB ASP 552 -8.637 1.728 -5.414 332 HB3 ASP 552 1HB ASP 552 -6.910 1.928 -5.133 333 H GLY 553 H GLY 553 -9.107 0.940 -1.141 334 HA2 GLY 553 2HA GLY 553 -11.084 0.057 -0.369 335 HA3 GLY 553 1HA GLY 553 -11.717 0.227 -1.999 336 H LEU 554 H LEU 554 -9.154 -1.729 -0.485 337 HA LEU 554 HA LEU 554 -10.231 -4.072 -1.897 338 HB2 LEU 554 2HB LEU 554 -7.510 -3.758 -0.640 339 HB3 LEU 554 1HB LEU 554 -8.043 -5.057 -1.692 340 HG LEU 554 HG LEU 554 -7.551 -2.183 -2.465 341 HD11 LEU 554 1HD1 LEU 554 -5.735 -4.136 -2.199 342 HD12 LEU 554 2HD1 LEU 554 -5.624 -2.867 -3.420 343 HD13 LEU 554 3HD1 LEU 554 -6.269 -4.451 -3.849 344 HD21 LEU 554 3HD2 LEU 554 -8.925 -4.412 -3.913 345 HD22 LEU 554 1HD2 LEU 554 -8.018 -3.190 -4.806 346 HD23 LEU 554 2HD2 LEU 554 -9.377 -2.711 -3.789 347 H ILE 555 H ILE 555 -9.442 -2.782 1.239 348 HA ILE 555 HA ILE 555 -10.245 -5.325 2.482 349 HB ILE 555 HB ILE 555 -9.298 -3.772 4.556 350 HG12 ILE 555 2HG1 ILE 555 -8.432 -2.170 2.790 351 HG13 ILE 555 1HG1 ILE 555 -7.235 -2.772 3.929 352 HG21 ILE 555 1HG2 ILE 555 -7.848 -5.820 2.892 353 HG22 ILE 555 2HG2 ILE 555 -8.884 -6.126 4.286 354 HG23 ILE 555 3HG2 ILE 555 -7.349 -5.284 4.496 355 HD11 ILE 555 3HD1 ILE 555 -6.077 -3.855 2.338 356 HD12 ILE 555 1HD1 ILE 555 -6.870 -2.695 1.273 357 HD13 ILE 555 2HD1 ILE 555 -7.524 -4.323 1.446 358 H CYS 556 H CYS 556 -11.017 -1.948 2.187 359 HA CYS 556 HA CYS 556 -12.876 -1.904 4.367 360 HB2 CYS 556 2HB CYS 556 -11.588 0.060 3.099 361 HB3 CYS 556 1HB CYS 556 -13.065 0.082 2.151 362 H GLY 557 H GLY 557 -12.952 -3.290 1.362 363 HA2 GLY 557 2HA GLY 557 -15.752 -3.855 1.581 364 HA3 GLY 557 1HA GLY 557 -15.342 -2.852 0.192 365 H LEU 558 H LEU 558 -15.483 -4.166 -1.500 366 HA LEU 558 HA LEU 558 -13.599 -6.352 -1.666 367 HB2 LEU 558 2HB LEU 558 -16.295 -7.138 -2.556 368 HB3 LEU 558 1HB LEU 558 -15.030 -8.094 -1.813 369 HG LEU 558 HG LEU 558 -16.599 -6.128 -0.177 370 HD11 LEU 558 1HD1 LEU 558 -17.412 -8.990 -0.603 371 HD12 LEU 558 2HD1 LEU 558 -18.159 -7.629 -1.441 372 HD13 LEU 558 3HD1 LEU 558 -18.257 -7.745 0.317 373 HD21 LEU 558 3HD2 LEU 558 -15.435 -6.985 1.516 374 HD22 LEU 558 1HD2 LEU 558 -14.481 -7.892 0.342 375 HD23 LEU 558 2HD2 LEU 558 -15.909 -8.625 1.071 376 H ARG 559 H ARG 559 -16.062 -4.350 -3.175 377 HA ARG 559 HA ARG 559 -14.595 -4.570 -5.710 378 HB2 ARG 559 2HB ARG 559 -16.941 -4.228 -6.772 379 HB3 ARG 559 1HB ARG 559 -16.468 -5.835 -6.237 380 HG2 ARG 559 2HG ARG 559 -18.096 -5.930 -4.717 381 HG3 ARG 559 1HG ARG 559 -17.789 -4.285 -4.155 382 HD2 ARG 559 2HD ARG 559 -19.103 -4.708 -6.798 383 HD3 ARG 559 1HD ARG 559 -20.050 -4.898 -5.323 384 HE ARG 559 HE ARG 559 -18.622 -2.465 -5.247 385 HH11 ARG 559 1HH1 ARG 559 -21.350 -3.967 -6.824 386 HH12 ARG 559 2HH1 ARG 559 -22.183 -2.471 -7.082 387 HH21 ARG 559 1HH2 ARG 559 -19.716 -0.498 -5.587 388 HH22 ARG 559 2HH2 ARG 559 -21.254 -0.501 -6.383 389 H GLN 560 H GLN 560 -14.371 -2.581 -3.651 390 HA GLN 560 HA GLN 560 -15.826 -0.274 -3.926 391 HB2 GLN 560 2HB GLN 560 -12.848 -0.568 -3.496 392 HB3 GLN 560 1HB GLN 560 -13.709 0.954 -3.327 393 HG2 GLN 560 2HG GLN 560 -13.677 -1.422 -1.558 394 HG3 GLN 560 1HG GLN 560 -13.655 0.294 -1.154 395 HE21 GLN 560 1HE2 GLN 560 -15.686 -2.377 -2.169 396 HE22 GLN 560 2HE2 GLN 560 -17.175 -1.719 -1.596
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