USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 301 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 469 LYS NZ :NH3+ 151:sc= -0.103 (180deg=-0.769) USER MOD Set 1.2: X 470 SER OG : rot 180:sc= 0 USER MOD Single : X 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 465 THR OG1 : rot 9:sc= 0.585 USER MOD Single : X 467 TYR OH : rot 53:sc= 1.23 USER MOD Single : X 474 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0604) USER MOD Single : X 478 TYR OH : rot 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.266 USER MOD Single : X 482 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.35) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -148:sc= -0.546 (180deg=-0.776) USER MOD Single : X 489 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.046) USER MOD Single : X 490 TYR OH : rot 147:sc= -0.946 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.062 5.269 1.064 1.00 61.44 N ATOM 395 CA GLU X 454 2.701 3.989 1.346 1.00 4.33 C ATOM 396 C GLU X 454 3.945 3.798 0.482 1.00 54.22 C ATOM 397 O GLU X 454 5.017 3.462 0.983 1.00 33.03 O ATOM 398 CB GLU X 454 1.719 2.840 1.106 1.00 4.25 C ATOM 399 CG GLU X 454 2.127 1.540 1.777 1.00 54.45 C ATOM 400 CD GLU X 454 0.938 0.679 2.156 1.00 73.14 C ATOM 401 OE1 GLU X 454 0.073 1.164 2.916 1.00 25.31 O ATOM 402 OE2 GLU X 454 0.871 -0.478 1.692 1.00 32.21 O ATOM 0 HA GLU X 454 3.004 3.987 2.393 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.734 3.133 1.470 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.625 2.671 0.033 1.00 4.25 H new ATOM 0 HG2 GLU X 454 2.778 0.979 1.107 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.708 1.764 2.672 1.00 54.45 H new ATOM 407 N LYS X 455 3.791 4.015 -0.821 1.00 25.33 N ATOM 408 CA LYS X 455 4.900 3.868 -1.756 1.00 0.54 C ATOM 409 C LYS X 455 6.015 4.861 -1.439 1.00 62.42 C ATOM 410 O LYS X 455 7.195 4.510 -1.448 1.00 21.12 O ATOM 411 CB LYS X 455 4.412 4.075 -3.192 1.00 34.23 C ATOM 412 CG LYS X 455 5.529 4.054 -4.222 1.00 13.52 C ATOM 413 CD LYS X 455 5.721 5.419 -4.864 1.00 51.32 C ATOM 414 CE LYS X 455 6.867 6.182 -4.217 1.00 3.43 C ATOM 415 NZ LYS X 455 7.557 7.074 -5.190 1.00 10.05 N ATOM 0 H LYS X 455 2.909 4.293 -1.252 1.00 25.33 H new ATOM 0 HA LYS X 455 5.297 2.858 -1.654 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.688 3.297 -3.437 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.888 5.029 -3.255 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.458 3.741 -3.746 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.301 3.317 -4.992 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.919 5.297 -5.929 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.801 5.997 -4.775 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.485 6.776 -3.387 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.584 5.475 -3.800 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.332 7.577 -4.711 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.943 6.504 -5.970 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 6.878 7.765 -5.569 1.00 10.05 H new ATOM 425 N LYS X 456 5.633 6.102 -1.157 1.00 23.55 N ATOM 426 CA LYS X 456 6.598 7.146 -0.835 1.00 51.54 C ATOM 427 C LYS X 456 7.348 6.814 0.451 1.00 23.14 C ATOM 428 O LYS X 456 8.539 7.099 0.579 1.00 54.11 O ATOM 429 CB LYS X 456 5.893 8.496 -0.692 1.00 65.35 C ATOM 430 CG LYS X 456 5.626 9.186 -2.019 1.00 12.34 C ATOM 431 CD LYS X 456 5.446 10.684 -1.842 1.00 41.13 C ATOM 432 CE LYS X 456 4.250 11.001 -0.958 1.00 35.30 C ATOM 433 NZ LYS X 456 4.099 12.466 -0.732 1.00 61.51 N ATOM 0 H LYS X 456 4.660 6.409 -1.145 1.00 23.55 H new ATOM 0 HA LYS X 456 7.318 7.205 -1.651 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.947 8.349 -0.172 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.502 9.150 -0.068 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.454 8.996 -2.702 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.732 8.763 -2.477 1.00 12.34 H new ATOM 0 HD2 LYS X 456 6.348 11.110 -1.403 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.314 11.153 -2.817 1.00 41.13 H new ATOM 0 HE2 LYS X 456 3.343 10.610 -1.420 1.00 35.30 H new ATOM 0 HE3 LYS X 456 4.363 10.495 0.001 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 3.273 12.640 -0.125 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.953 12.836 -0.268 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 3.965 12.946 -1.645 1.00 61.51 H new ATOM 443 N ARG X 457 6.643 6.209 1.402 1.00 71.11 N ATOM 444 CA ARG X 457 7.243 5.838 2.679 1.00 35.12 C ATOM 445 C ARG X 457 8.283 4.737 2.492 1.00 55.14 C ATOM 446 O ARG X 457 9.396 4.826 3.011 1.00 20.31 O ATOM 447 CB ARG X 457 6.163 5.373 3.658 1.00 21.50 C ATOM 448 CG ARG X 457 5.544 6.503 4.464 1.00 50.23 C ATOM 449 CD ARG X 457 6.560 7.142 5.398 1.00 12.04 C ATOM 450 NE ARG X 457 5.929 7.705 6.590 1.00 20.01 N ATOM 451 CZ ARG X 457 6.535 8.558 7.408 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.780 8.943 7.166 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.895 9.027 8.471 1.00 51.31 N ATOM 0 H ARG X 457 5.657 5.965 1.313 1.00 71.11 H new ATOM 0 HA ARG X 457 7.740 6.718 3.088 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.377 4.861 3.102 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.595 4.644 4.343 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.145 7.258 3.787 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.705 6.120 5.045 1.00 50.23 H new ATOM 0 HD2 ARG X 457 7.298 6.397 5.696 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.097 7.928 4.867 1.00 12.04 H new ATOM 0 HE ARG X 457 4.971 7.428 6.805 1.00 20.01 H new ATOM 0 HH11 ARG X 457 8.275 8.584 6.350 1.00 71.32 H new ATOM 0 HH12 ARG X 457 8.243 9.598 7.796 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.937 8.733 8.661 1.00 51.31 H new ATOM 0 HH22 ARG X 457 6.361 9.682 9.099 1.00 51.31 H new ATOM 464 N ILE X 458 7.912 3.702 1.747 1.00 20.05 N ATOM 465 CA ILE X 458 8.814 2.585 1.491 1.00 63.42 C ATOM 466 C ILE X 458 10.063 3.045 0.749 1.00 45.00 C ATOM 467 O ILE X 458 11.186 2.799 1.191 1.00 10.42 O ATOM 468 CB ILE X 458 8.122 1.479 0.671 1.00 44.32 C ATOM 469 CG1 ILE X 458 6.929 0.911 1.443 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.111 0.376 0.327 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.326 0.136 2.681 1.00 74.53 C ATOM 0 H ILE X 458 6.995 3.613 1.310 1.00 20.05 H new ATOM 0 HA ILE X 458 9.100 2.182 2.463 1.00 63.42 H new ATOM 0 HB ILE X 458 7.755 1.913 -0.259 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.270 1.730 1.732 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.357 0.259 0.783 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.607 -0.397 -0.252 1.00 21.14 H new ATOM 0 HG22 ILE X 458 9.930 0.792 -0.259 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.506 -0.058 1.246 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.431 -0.238 3.179 1.00 74.53 H new ATOM 0 HD12 ILE X 458 7.961 -0.703 2.397 1.00 74.53 H new ATOM 0 HD13 ILE X 458 7.873 0.790 3.360 1.00 74.53 H new ATOM 482 N ILE X 459 9.861 3.715 -0.381 1.00 30.41 N ATOM 483 CA ILE X 459 10.972 4.214 -1.183 1.00 14.13 C ATOM 484 C ILE X 459 11.834 5.184 -0.384 1.00 54.12 C ATOM 485 O ILE X 459 13.058 5.198 -0.519 1.00 73.32 O ATOM 486 CB ILE X 459 10.474 4.916 -2.459 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.653 5.255 -3.375 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.695 6.173 -2.102 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.330 5.128 -4.846 1.00 14.20 C ATOM 0 H ILE X 459 8.938 3.925 -0.762 1.00 30.41 H new ATOM 0 HA ILE X 459 11.571 3.349 -1.466 1.00 14.13 H new ATOM 0 HB ILE X 459 9.808 4.238 -2.992 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.981 6.274 -3.170 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.489 4.597 -3.137 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.349 6.658 -3.015 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.837 5.906 -1.485 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.340 6.856 -1.550 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.211 5.383 -5.435 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.031 4.103 -5.066 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.515 5.806 -5.099 1.00 14.20 H new ATOM 500 N GLU X 460 11.188 5.994 0.449 1.00 70.03 N ATOM 501 CA GLU X 460 11.897 6.968 1.270 1.00 55.24 C ATOM 502 C GLU X 460 12.846 6.273 2.242 1.00 12.02 C ATOM 503 O GLU X 460 14.025 6.613 2.325 1.00 12.20 O ATOM 504 CB GLU X 460 10.903 7.836 2.044 1.00 64.30 C ATOM 505 CG GLU X 460 11.555 8.720 3.094 1.00 23.33 C ATOM 506 CD GLU X 460 10.626 9.808 3.599 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.406 9.708 3.355 1.00 74.02 O ATOM 508 OE2 GLU X 460 11.122 10.759 4.239 1.00 44.32 O ATOM 0 H GLU X 460 10.176 5.995 0.573 1.00 70.03 H new ATOM 0 HA GLU X 460 12.485 7.604 0.607 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.358 8.465 1.340 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.171 7.190 2.529 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.877 8.104 3.933 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.450 9.178 2.673 1.00 23.33 H new ATOM 513 N ALA X 461 12.321 5.297 2.975 1.00 23.10 N ATOM 514 CA ALA X 461 13.122 4.552 3.940 1.00 30.24 C ATOM 515 C ALA X 461 14.294 3.854 3.259 1.00 45.21 C ATOM 516 O ALA X 461 15.428 3.912 3.738 1.00 60.24 O ATOM 517 CB ALA X 461 12.255 3.538 4.673 1.00 43.23 C ATOM 0 H ALA X 461 11.346 5.004 2.920 1.00 23.10 H new ATOM 0 HA ALA X 461 13.526 5.260 4.664 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.865 2.989 5.390 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.454 4.057 5.200 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.824 2.841 3.954 1.00 43.23 H new ATOM 523 N LEU X 462 14.015 3.194 2.141 1.00 41.14 N ATOM 524 CA LEU X 462 15.047 2.484 1.393 1.00 32.12 C ATOM 525 C LEU X 462 16.179 3.426 0.999 1.00 23.05 C ATOM 526 O LEU X 462 17.346 3.166 1.291 1.00 51.52 O ATOM 527 CB LEU X 462 14.447 1.838 0.143 1.00 22.31 C ATOM 528 CG LEU X 462 13.841 0.447 0.330 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.888 0.121 -0.810 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.937 -0.603 0.428 1.00 72.43 C ATOM 0 H LEU X 462 13.082 3.135 1.732 1.00 41.14 H new ATOM 0 HA LEU X 462 15.455 1.704 2.036 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.674 2.499 -0.248 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.225 1.774 -0.617 1.00 22.31 H new ATOM 0 HG LEU X 462 13.275 0.441 1.262 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.467 -0.873 -0.659 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.084 0.856 -0.833 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.430 0.146 -1.756 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.487 -1.587 0.561 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.531 -0.596 -0.486 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.580 -0.380 1.280 1.00 72.43 H new ATOM 541 N GLU X 463 15.826 4.523 0.336 1.00 4.01 N ATOM 542 CA GLU X 463 16.814 5.505 -0.097 1.00 14.12 C ATOM 543 C GLU X 463 17.589 6.058 1.095 1.00 33.23 C ATOM 544 O GLU X 463 18.787 6.326 1.001 1.00 3.32 O ATOM 545 CB GLU X 463 16.133 6.649 -0.851 1.00 41.55 C ATOM 546 CG GLU X 463 15.308 6.186 -2.040 1.00 22.34 C ATOM 547 CD GLU X 463 15.949 6.542 -3.369 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.184 6.721 -3.401 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.215 6.641 -4.374 1.00 1.41 O ATOM 0 H GLU X 463 14.864 4.754 0.087 1.00 4.01 H new ATOM 0 HA GLU X 463 17.516 5.006 -0.765 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.488 7.194 -0.162 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.894 7.349 -1.197 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.171 5.106 -1.984 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.317 6.636 -1.987 1.00 22.34 H new ATOM 554 N LYS X 464 16.898 6.227 2.217 1.00 23.51 N ATOM 555 CA LYS X 464 17.519 6.747 3.429 1.00 44.12 C ATOM 556 C LYS X 464 18.404 5.691 4.083 1.00 71.21 C ATOM 557 O LYS X 464 19.330 6.016 4.827 1.00 34.14 O ATOM 558 CB LYS X 464 16.446 7.211 4.417 1.00 41.33 C ATOM 559 CG LYS X 464 16.034 8.661 4.232 1.00 1.43 C ATOM 560 CD LYS X 464 14.698 8.950 4.893 1.00 74.45 C ATOM 561 CE LYS X 464 14.849 9.144 6.394 1.00 13.32 C ATOM 562 NZ LYS X 464 13.724 9.933 6.967 1.00 54.43 N ATOM 0 H LYS X 464 15.906 6.011 2.312 1.00 23.51 H new ATOM 0 HA LYS X 464 18.142 7.597 3.152 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.567 6.576 4.310 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.816 7.074 5.433 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.798 9.314 4.654 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.971 8.889 3.168 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.259 9.845 4.452 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.009 8.128 4.699 1.00 74.45 H new ATOM 0 HE2 LYS X 464 14.896 8.171 6.883 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.791 9.651 6.602 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 13.864 10.043 7.992 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 13.694 10.871 6.519 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 12.827 9.437 6.791 1.00 54.43 H new ATOM 572 N THR X 465 18.116 4.425 3.799 1.00 13.11 N ATOM 573 CA THR X 465 18.887 3.321 4.358 1.00 52.11 C ATOM 574 C THR X 465 20.013 2.905 3.419 1.00 75.51 C ATOM 575 O THR X 465 20.926 2.181 3.812 1.00 65.34 O ATOM 576 CB THR X 465 17.993 2.100 4.644 1.00 42.21 C ATOM 577 OG1 THR X 465 17.264 1.739 3.464 1.00 52.14 O ATOM 578 CG2 THR X 465 17.020 2.393 5.777 1.00 61.42 C ATOM 0 H THR X 465 17.354 4.138 3.185 1.00 13.11 H new ATOM 0 HA THR X 465 19.314 3.677 5.296 1.00 52.11 H new ATOM 0 HB THR X 465 18.634 1.271 4.943 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.604 2.251 2.700 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.400 1.516 5.960 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.577 2.638 6.681 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.385 3.235 5.503 1.00 61.42 H new ATOM 586 N GLY X 466 19.942 3.369 2.175 1.00 31.45 N ATOM 587 CA GLY X 466 20.962 3.033 1.199 1.00 73.12 C ATOM 588 C GLY X 466 20.539 1.901 0.285 1.00 2.02 C ATOM 589 O GLY X 466 21.351 1.046 -0.072 1.00 72.31 O ATOM 0 H GLY X 466 19.197 3.971 1.826 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.191 3.914 0.599 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.879 2.754 1.718 1.00 73.12 H new ATOM 593 N TYR X 467 19.267 1.892 -0.095 1.00 22.12 N ATOM 594 CA TYR X 467 18.737 0.853 -0.970 1.00 42.34 C ATOM 595 C TYR X 467 18.891 -0.525 -0.335 1.00 41.45 C ATOM 596 O TYR X 467 19.057 -1.528 -1.030 1.00 0.12 O ATOM 597 CB TYR X 467 19.449 0.886 -2.324 1.00 12.11 C ATOM 598 CG TYR X 467 19.354 2.222 -3.026 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.120 2.788 -3.322 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.499 2.918 -3.393 1.00 42.12 C ATOM 601 CE1 TYR X 467 18.029 4.008 -3.963 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.417 4.140 -4.033 1.00 24.43 C ATOM 603 CZ TYR X 467 19.181 4.679 -4.317 1.00 42.32 C ATOM 604 OH TYR X 467 19.093 5.895 -4.956 1.00 45.41 O ATOM 0 H TYR X 467 18.583 2.593 0.189 1.00 22.12 H new ATOM 0 HA TYR X 467 17.675 1.047 -1.120 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.500 0.635 -2.179 1.00 12.11 H new ATOM 0 HB3 TYR X 467 19.024 0.116 -2.968 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.216 2.265 -3.046 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.469 2.497 -3.174 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.062 4.434 -4.186 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.317 4.670 -4.309 1.00 24.43 H new ATOM 0 HH TYR X 467 18.513 6.494 -4.441 1.00 45.41 H new ATOM 613 N VAL X 468 18.835 -0.568 0.992 1.00 21.22 N ATOM 614 CA VAL X 468 18.967 -1.822 1.724 1.00 11.54 C ATOM 615 C VAL X 468 17.610 -2.320 2.210 1.00 22.10 C ATOM 616 O VAL X 468 16.903 -1.620 2.936 1.00 25.15 O ATOM 617 CB VAL X 468 19.909 -1.671 2.933 1.00 23.32 C ATOM 618 CG1 VAL X 468 20.123 -3.014 3.614 1.00 2.22 C ATOM 619 CG2 VAL X 468 21.236 -1.065 2.501 1.00 32.52 C ATOM 0 H VAL X 468 18.699 0.252 1.583 1.00 21.22 H new ATOM 0 HA VAL X 468 19.391 -2.549 1.031 1.00 11.54 H new ATOM 0 HB VAL X 468 19.444 -0.996 3.652 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.791 -2.888 4.466 1.00 2.22 H new ATOM 0 HG12 VAL X 468 19.165 -3.404 3.959 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.566 -3.714 2.906 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.890 -0.965 3.368 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.709 -1.713 1.763 1.00 32.52 H new ATOM 0 HG23 VAL X 468 21.062 -0.082 2.063 1.00 32.52 H new ATOM 629 N LYS X 469 17.251 -3.534 1.804 1.00 2.33 N ATOM 630 CA LYS X 469 15.980 -4.127 2.200 1.00 73.34 C ATOM 631 C LYS X 469 15.945 -4.388 3.702 1.00 0.52 C ATOM 632 O LYS X 469 14.974 -4.047 4.377 1.00 43.22 O ATOM 633 CB LYS X 469 15.746 -5.434 1.438 1.00 64.33 C ATOM 634 CG LYS X 469 14.593 -6.259 1.985 1.00 65.33 C ATOM 635 CD LYS X 469 15.089 -7.403 2.854 1.00 74.35 C ATOM 636 CE LYS X 469 15.687 -8.521 2.015 1.00 63.33 C ATOM 637 NZ LYS X 469 17.174 -8.540 2.095 1.00 50.11 N ATOM 0 H LYS X 469 17.823 -4.126 1.201 1.00 2.33 H new ATOM 0 HA LYS X 469 15.186 -3.422 1.954 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.552 -5.204 0.390 1.00 64.33 H new ATOM 0 HB3 LYS X 469 16.657 -6.032 1.470 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.931 -5.619 2.568 1.00 65.33 H new ATOM 0 HG3 LYS X 469 14.005 -6.657 1.158 1.00 65.33 H new ATOM 0 HD2 LYS X 469 15.838 -7.032 3.554 1.00 74.35 H new ATOM 0 HD3 LYS X 469 14.263 -7.794 3.448 1.00 74.35 H new ATOM 0 HE2 LYS X 469 15.293 -9.479 2.353 1.00 63.33 H new ATOM 0 HE3 LYS X 469 15.381 -8.399 0.976 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 17.517 -9.512 1.959 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 17.569 -7.927 1.354 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 17.476 -8.194 3.028 1.00 50.11 H new ATOM 647 N SER X 470 17.009 -4.995 4.218 1.00 71.13 N ATOM 648 CA SER X 470 17.098 -5.303 5.640 1.00 51.22 C ATOM 649 C SER X 470 16.894 -4.047 6.482 1.00 51.22 C ATOM 650 O SER X 470 16.051 -4.018 7.379 1.00 14.32 O ATOM 651 CB SER X 470 18.455 -5.932 5.963 1.00 52.44 C ATOM 652 OG SER X 470 18.709 -7.051 5.131 1.00 5.24 O ATOM 0 H SER X 470 17.821 -5.283 3.672 1.00 71.13 H new ATOM 0 HA SER X 470 16.308 -6.014 5.883 1.00 51.22 H new ATOM 0 HB2 SER X 470 19.243 -5.191 5.832 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.477 -6.240 7.008 1.00 52.44 H new ATOM 0 HG SER X 470 19.583 -7.434 5.356 1.00 5.24 H new ATOM 657 N ARG X 471 17.672 -3.011 6.187 1.00 75.24 N ATOM 658 CA ARG X 471 17.579 -1.753 6.917 1.00 11.02 C ATOM 659 C ARG X 471 16.225 -1.089 6.685 1.00 64.24 C ATOM 660 O ARG X 471 15.553 -0.680 7.632 1.00 23.30 O ATOM 661 CB ARG X 471 18.702 -0.806 6.489 1.00 3.34 C ATOM 662 CG ARG X 471 20.093 -1.318 6.829 1.00 74.42 C ATOM 663 CD ARG X 471 21.158 -0.643 5.980 1.00 11.42 C ATOM 664 NE ARG X 471 21.713 0.538 6.636 1.00 42.13 N ATOM 665 CZ ARG X 471 22.537 0.481 7.677 1.00 73.44 C ATOM 666 NH1 ARG X 471 22.899 -0.692 8.177 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.000 1.600 8.219 1.00 13.40 N ATOM 0 H ARG X 471 18.374 -3.018 5.447 1.00 75.24 H new ATOM 0 HA ARG X 471 17.681 -1.971 7.980 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.637 -0.642 5.413 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.553 0.161 6.969 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.300 -1.139 7.884 1.00 74.42 H new ATOM 0 HG3 ARG X 471 20.133 -2.396 6.675 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.959 -1.352 5.772 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.729 -0.356 5.020 1.00 11.42 H new ATOM 0 HE ARG X 471 21.454 1.456 6.276 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.545 -1.554 7.763 1.00 54.24 H new ATOM 0 HH12 ARG X 471 23.532 -0.732 8.976 1.00 54.24 H new ATOM 0 HH21 ARG X 471 22.723 2.504 7.837 1.00 13.40 H new ATOM 0 HH22 ARG X 471 23.632 1.556 9.018 1.00 13.40 H new ATOM 678 N ALA X 472 15.831 -0.986 5.420 1.00 63.50 N ATOM 679 CA ALA X 472 14.557 -0.373 5.064 1.00 51.02 C ATOM 680 C ALA X 472 13.406 -1.020 5.826 1.00 14.44 C ATOM 681 O ALA X 472 12.565 -0.329 6.402 1.00 62.31 O ATOM 682 CB ALA X 472 14.323 -0.476 3.564 1.00 12.21 C ATOM 0 H ALA X 472 16.376 -1.319 4.625 1.00 63.50 H new ATOM 0 HA ALA X 472 14.597 0.680 5.343 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.368 -0.014 3.312 1.00 12.21 H new ATOM 0 HB2 ALA X 472 15.125 0.038 3.034 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.308 -1.525 3.269 1.00 12.21 H new ATOM 688 N ALA X 473 13.372 -2.348 5.825 1.00 33.12 N ATOM 689 CA ALA X 473 12.324 -3.088 6.518 1.00 5.31 C ATOM 690 C ALA X 473 12.352 -2.805 8.016 1.00 1.25 C ATOM 691 O ALA X 473 11.336 -2.443 8.610 1.00 50.13 O ATOM 692 CB ALA X 473 12.471 -4.579 6.258 1.00 61.31 C ATOM 0 H ALA X 473 14.059 -2.935 5.351 1.00 33.12 H new ATOM 0 HA ALA X 473 11.361 -2.756 6.130 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.682 -5.119 6.781 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.394 -4.771 5.188 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.443 -4.917 6.618 1.00 61.31 H new ATOM 698 N LYS X 474 13.521 -2.972 8.624 1.00 62.03 N ATOM 699 CA LYS X 474 13.683 -2.736 10.054 1.00 24.40 C ATOM 700 C LYS X 474 13.320 -1.297 10.410 1.00 54.40 C ATOM 701 O LYS X 474 12.815 -1.027 11.501 1.00 74.45 O ATOM 702 CB LYS X 474 15.123 -3.031 10.481 1.00 34.32 C ATOM 703 CG LYS X 474 15.960 -1.783 10.700 1.00 3.21 C ATOM 704 CD LYS X 474 17.409 -2.129 11.002 1.00 54.32 C ATOM 705 CE LYS X 474 17.711 -2.016 12.489 1.00 20.00 C ATOM 706 NZ LYS X 474 17.762 -0.597 12.938 1.00 3.13 N ATOM 0 H LYS X 474 14.372 -3.271 8.148 1.00 62.03 H new ATOM 0 HA LYS X 474 13.009 -3.406 10.587 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.108 -3.614 11.402 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.599 -3.649 9.720 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.913 -1.152 9.812 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.544 -1.205 11.525 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.620 -3.143 10.663 1.00 54.32 H new ATOM 0 HD3 LYS X 474 18.067 -1.463 10.444 1.00 54.32 H new ATOM 0 HE2 LYS X 474 16.948 -2.549 13.056 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.664 -2.499 12.704 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 18.181 -0.549 13.889 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 18.342 -0.044 12.275 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 16.799 -0.206 12.964 1.00 3.13 H new ATOM 716 N LEU X 475 13.579 -0.380 9.486 1.00 10.44 N ATOM 717 CA LEU X 475 13.278 1.031 9.703 1.00 74.31 C ATOM 718 C LEU X 475 11.778 1.289 9.600 1.00 24.12 C ATOM 719 O LEU X 475 11.185 1.920 10.477 1.00 74.13 O ATOM 720 CB LEU X 475 14.026 1.894 8.686 1.00 52.05 C ATOM 721 CG LEU X 475 14.410 3.299 9.152 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.467 3.896 8.235 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.183 4.197 9.209 1.00 53.02 C ATOM 0 H LEU X 475 13.997 -0.587 8.579 1.00 10.44 H new ATOM 0 HA LEU X 475 13.606 1.297 10.708 1.00 74.31 H new ATOM 0 HB2 LEU X 475 14.935 1.369 8.393 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.408 1.985 7.793 1.00 52.05 H new ATOM 0 HG LEU X 475 14.828 3.225 10.156 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.727 4.896 8.582 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.356 3.265 8.245 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.076 3.955 7.219 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.476 5.193 9.543 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.735 4.264 8.218 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.458 3.779 9.908 1.00 53.02 H new ATOM 734 N LEU X 476 11.170 0.797 8.527 1.00 14.12 N ATOM 735 CA LEU X 476 9.738 0.973 8.311 1.00 2.33 C ATOM 736 C LEU X 476 8.931 0.159 9.318 1.00 41.31 C ATOM 737 O LEU X 476 7.744 0.408 9.524 1.00 65.41 O ATOM 738 CB LEU X 476 9.363 0.559 6.887 1.00 21.22 C ATOM 739 CG LEU X 476 9.927 1.429 5.763 1.00 11.11 C ATOM 740 CD1 LEU X 476 10.206 0.590 4.527 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.966 2.564 5.435 1.00 71.10 C ATOM 0 H LEU X 476 11.646 0.273 7.793 1.00 14.12 H new ATOM 0 HA LEU X 476 9.501 2.028 8.451 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.698 -0.466 6.728 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.276 0.556 6.806 1.00 21.22 H new ATOM 0 HG LEU X 476 10.868 1.862 6.102 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.607 1.226 3.738 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.931 -0.186 4.770 1.00 15.24 H new ATOM 0 HD13 LEU X 476 9.280 0.127 4.185 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.383 3.173 4.633 1.00 71.10 H new ATOM 0 HD22 LEU X 476 8.009 2.150 5.116 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.817 3.182 6.320 1.00 71.10 H new ATOM 752 N GLY X 477 9.586 -0.813 9.946 1.00 45.23 N ATOM 753 CA GLY X 477 8.914 -1.647 10.926 1.00 22.13 C ATOM 754 C GLY X 477 8.234 -2.846 10.298 1.00 61.31 C ATOM 755 O GLY X 477 7.337 -3.442 10.895 1.00 35.21 O ATOM 0 H GLY X 477 10.569 -1.038 9.794 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.639 -1.990 11.665 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.173 -1.051 11.459 1.00 22.13 H new ATOM 759 N TYR X 478 8.658 -3.199 9.090 1.00 41.35 N ATOM 760 CA TYR X 478 8.080 -4.333 8.379 1.00 51.13 C ATOM 761 C TYR X 478 9.129 -5.415 8.134 1.00 65.31 C ATOM 762 O TYR X 478 10.330 -5.147 8.149 1.00 40.51 O ATOM 763 CB TYR X 478 7.482 -3.876 7.047 1.00 71.43 C ATOM 764 CG TYR X 478 6.649 -2.619 7.158 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.784 -2.427 8.228 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.728 -1.623 6.193 1.00 30.21 C ATOM 767 CE1 TYR X 478 5.021 -1.280 8.332 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.970 -0.473 6.289 1.00 51.13 C ATOM 769 CZ TYR X 478 5.117 -0.306 7.361 1.00 63.32 C ATOM 770 OH TYR X 478 4.359 0.839 7.462 1.00 43.33 O ATOM 0 H TYR X 478 9.400 -2.716 8.583 1.00 41.35 H new ATOM 0 HA TYR X 478 7.289 -4.753 9.000 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.290 -3.705 6.335 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.864 -4.677 6.642 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.707 -3.187 8.991 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.394 -1.750 5.353 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.353 -1.147 9.170 1.00 15.11 H new ATOM 0 HE2 TYR X 478 6.044 0.291 5.530 1.00 51.13 H new ATOM 0 HH TYR X 478 4.546 1.423 6.698 1.00 43.33 H new ATOM 779 N THR X 479 8.664 -6.639 7.907 1.00 31.11 N ATOM 780 CA THR X 479 9.559 -7.763 7.659 1.00 32.34 C ATOM 781 C THR X 479 9.883 -7.890 6.174 1.00 71.23 C ATOM 782 O THR X 479 9.256 -7.244 5.334 1.00 3.54 O ATOM 783 CB THR X 479 8.949 -9.088 8.154 1.00 31.32 C ATOM 784 OG1 THR X 479 9.888 -10.155 7.978 1.00 41.35 O ATOM 785 CG2 THR X 479 7.665 -9.406 7.402 1.00 33.32 C ATOM 0 H THR X 479 7.672 -6.878 7.890 1.00 31.11 H new ATOM 0 HA THR X 479 10.476 -7.565 8.214 1.00 32.34 H new ATOM 0 HB THR X 479 8.714 -8.982 9.213 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.494 -10.994 8.297 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.252 -10.346 7.768 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.942 -8.606 7.561 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.879 -9.495 6.337 1.00 33.32 H new ATOM 793 N LEU X 480 10.867 -8.724 5.858 1.00 51.22 N ATOM 794 CA LEU X 480 11.275 -8.936 4.473 1.00 73.24 C ATOM 795 C LEU X 480 10.073 -9.273 3.597 1.00 73.11 C ATOM 796 O LEU X 480 9.989 -8.840 2.449 1.00 12.40 O ATOM 797 CB LEU X 480 12.310 -10.060 4.393 1.00 54.35 C ATOM 798 CG LEU X 480 12.464 -10.733 3.029 1.00 42.31 C ATOM 799 CD1 LEU X 480 12.708 -9.695 1.945 1.00 10.34 C ATOM 800 CD2 LEU X 480 13.597 -11.749 3.061 1.00 24.30 C ATOM 0 H LEU X 480 11.397 -9.265 6.541 1.00 51.22 H new ATOM 0 HA LEU X 480 11.721 -8.012 4.105 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.279 -9.657 4.689 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.046 -10.823 5.125 1.00 54.35 H new ATOM 0 HG LEU X 480 11.537 -11.258 2.798 1.00 42.31 H new ATOM 0 HD11 LEU X 480 12.815 -10.193 0.982 1.00 10.34 H new ATOM 0 HD12 LEU X 480 11.865 -9.005 1.905 1.00 10.34 H new ATOM 0 HD13 LEU X 480 13.619 -9.141 2.170 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.692 -12.218 2.082 1.00 24.30 H new ATOM 0 HD22 LEU X 480 14.530 -11.246 3.315 1.00 24.30 H new ATOM 0 HD23 LEU X 480 13.381 -12.511 3.809 1.00 24.30 H new ATOM 811 N ARG X 481 9.145 -10.047 4.148 1.00 60.01 N ATOM 812 CA ARG X 481 7.946 -10.442 3.417 1.00 5.23 C ATOM 813 C ARG X 481 7.070 -9.229 3.116 1.00 63.40 C ATOM 814 O ARG X 481 6.665 -9.013 1.974 1.00 34.21 O ATOM 815 CB ARG X 481 7.150 -11.473 4.218 1.00 22.32 C ATOM 816 CG ARG X 481 6.219 -12.319 3.366 1.00 15.42 C ATOM 817 CD ARG X 481 6.989 -13.337 2.540 1.00 33.20 C ATOM 818 NE ARG X 481 7.216 -14.580 3.274 1.00 11.02 N ATOM 819 CZ ARG X 481 8.007 -15.555 2.840 1.00 23.35 C ATOM 820 NH1 ARG X 481 8.644 -15.432 1.684 1.00 64.23 N ATOM 821 NH2 ARG X 481 8.161 -16.656 3.565 1.00 54.34 N ATOM 0 H ARG X 481 9.199 -10.414 5.098 1.00 60.01 H new ATOM 0 HA ARG X 481 8.257 -10.888 2.473 1.00 5.23 H new ATOM 0 HB2 ARG X 481 7.845 -12.129 4.742 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.564 -10.956 4.978 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.505 -12.835 4.008 1.00 15.42 H new ATOM 0 HG3 ARG X 481 5.643 -11.673 2.704 1.00 15.42 H new ATOM 0 HD2 ARG X 481 6.438 -13.552 1.625 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.947 -12.912 2.242 1.00 33.20 H new ATOM 0 HE ARG X 481 6.741 -14.706 4.168 1.00 11.02 H new ATOM 0 HH11 ARG X 481 8.528 -14.587 1.125 1.00 64.23 H new ATOM 0 HH12 ARG X 481 9.251 -16.182 1.354 1.00 64.23 H new ATOM 0 HH21 ARG X 481 7.672 -16.753 4.455 1.00 54.34 H new ATOM 0 HH22 ARG X 481 8.768 -17.405 3.232 1.00 54.34 H new ATOM 832 N GLN X 482 6.780 -8.443 4.149 1.00 43.45 N ATOM 833 CA GLN X 482 5.951 -7.254 3.994 1.00 74.43 C ATOM 834 C GLN X 482 6.610 -6.250 3.054 1.00 15.22 C ATOM 835 O GLN X 482 6.011 -5.823 2.066 1.00 24.12 O ATOM 836 CB GLN X 482 5.694 -6.606 5.354 1.00 61.30 C ATOM 837 CG GLN X 482 4.773 -7.417 6.252 1.00 11.44 C ATOM 838 CD GLN X 482 3.494 -7.831 5.552 1.00 11.30 C ATOM 839 OE1 GLN X 482 2.526 -7.072 5.501 1.00 73.12 O ATOM 840 NE2 GLN X 482 3.482 -9.043 5.007 1.00 62.51 N ATOM 0 H GLN X 482 7.107 -8.609 5.101 1.00 43.45 H new ATOM 0 HA GLN X 482 4.999 -7.559 3.560 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.647 -6.459 5.863 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.260 -5.618 5.200 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.299 -8.307 6.597 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.525 -6.831 7.137 1.00 11.44 H new ATOM 0 HE21 GLN X 482 4.307 -9.640 5.073 1.00 62.51 H new ATOM 0 HE22 GLN X 482 2.648 -9.376 4.523 1.00 62.51 H new ATOM 847 N LEU X 483 7.845 -5.876 3.368 1.00 30.43 N ATOM 848 CA LEU X 483 8.585 -4.920 2.552 1.00 23.25 C ATOM 849 C LEU X 483 8.635 -5.371 1.095 1.00 43.34 C ATOM 850 O LEU X 483 8.275 -4.618 0.190 1.00 12.42 O ATOM 851 CB LEU X 483 10.007 -4.751 3.092 1.00 32.11 C ATOM 852 CG LEU X 483 10.793 -3.557 2.551 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.214 -2.253 3.076 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.265 -3.676 2.919 1.00 65.25 C ATOM 0 H LEU X 483 8.355 -6.220 4.182 1.00 30.43 H new ATOM 0 HA LEU X 483 8.067 -3.962 2.600 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.954 -4.664 4.177 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.568 -5.659 2.872 1.00 32.11 H new ATOM 0 HG LEU X 483 10.710 -3.555 1.464 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.787 -1.415 2.680 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.175 -2.163 2.761 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.265 -2.245 4.165 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.809 -2.817 2.526 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.368 -3.705 4.004 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.674 -4.591 2.492 1.00 65.25 H new ATOM 865 N ASP X 484 9.080 -6.604 0.878 1.00 4.40 N ATOM 866 CA ASP X 484 9.172 -7.156 -0.469 1.00 74.33 C ATOM 867 C ASP X 484 7.835 -7.045 -1.195 1.00 23.13 C ATOM 868 O ASP X 484 7.780 -6.643 -2.357 1.00 2.41 O ATOM 869 CB ASP X 484 9.617 -8.619 -0.413 1.00 53.22 C ATOM 870 CG ASP X 484 9.881 -9.196 -1.790 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.499 -8.495 -2.618 1.00 13.14 O ATOM 872 OD2 ASP X 484 9.470 -10.348 -2.040 1.00 12.45 O ATOM 0 H ASP X 484 9.382 -7.239 1.616 1.00 4.40 H new ATOM 0 HA ASP X 484 9.913 -6.579 -1.022 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.521 -8.698 0.191 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.849 -9.211 0.085 1.00 53.22 H new ATOM 876 N TYR X 485 6.760 -7.406 -0.503 1.00 62.24 N ATOM 877 CA TYR X 485 5.423 -7.350 -1.083 1.00 54.52 C ATOM 878 C TYR X 485 5.087 -5.934 -1.540 1.00 35.33 C ATOM 879 O TYR X 485 4.432 -5.739 -2.564 1.00 43.32 O ATOM 880 CB TYR X 485 4.385 -7.831 -0.069 1.00 42.42 C ATOM 881 CG TYR X 485 3.169 -8.469 -0.703 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.273 -9.663 -1.406 1.00 11.33 C ATOM 883 CD2 TYR X 485 1.916 -7.876 -0.601 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.165 -10.248 -1.987 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.803 -8.455 -1.178 1.00 35.54 C ATOM 886 CZ TYR X 485 0.932 -9.641 -1.870 1.00 72.11 C ATOM 887 OH TYR X 485 -0.174 -10.222 -2.448 1.00 32.54 O ATOM 0 H TYR X 485 6.788 -7.741 0.460 1.00 62.24 H new ATOM 0 HA TYR X 485 5.403 -8.007 -1.953 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.853 -8.550 0.604 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.065 -6.985 0.540 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.237 -10.142 -1.500 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.811 -6.946 -0.061 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.264 -11.176 -2.530 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.163 -7.982 -1.088 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.964 -9.669 -2.272 1.00 32.54 H new ATOM 896 N ARG X 486 5.540 -4.948 -0.773 1.00 30.20 N ATOM 897 CA ARG X 486 5.287 -3.549 -1.097 1.00 23.23 C ATOM 898 C ARG X 486 6.115 -3.113 -2.302 1.00 23.24 C ATOM 899 O ARG X 486 5.637 -2.364 -3.156 1.00 73.10 O ATOM 900 CB ARG X 486 5.608 -2.659 0.105 1.00 32.34 C ATOM 901 CG ARG X 486 4.391 -2.311 0.947 1.00 43.42 C ATOM 902 CD ARG X 486 4.120 -3.374 2.001 1.00 11.40 C ATOM 903 NE ARG X 486 2.742 -3.330 2.482 1.00 15.11 N ATOM 904 CZ ARG X 486 2.309 -2.464 3.391 1.00 21.53 C ATOM 905 NH1 ARG X 486 3.141 -1.574 3.914 1.00 34.32 N ATOM 906 NH2 ARG X 486 1.040 -2.486 3.779 1.00 1.14 N ATOM 0 H ARG X 486 6.084 -5.092 0.078 1.00 30.20 H new ATOM 0 HA ARG X 486 4.231 -3.444 -1.346 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.342 -3.163 0.734 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.070 -1.737 -0.249 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.546 -1.347 1.432 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.519 -2.206 0.302 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.327 -4.359 1.583 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.801 -3.234 2.840 1.00 11.40 H new ATOM 0 HE ARG X 486 2.076 -4.001 2.099 1.00 15.11 H new ATOM 0 HH11 ARG X 486 4.117 -1.553 3.618 1.00 34.32 H new ATOM 0 HH12 ARG X 486 2.805 -0.910 4.612 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.396 -3.169 3.379 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.709 -1.820 4.477 1.00 1.14 H new ATOM 917 N ILE X 487 7.355 -3.585 -2.365 1.00 12.05 N ATOM 918 CA ILE X 487 8.247 -3.243 -3.465 1.00 10.12 C ATOM 919 C ILE X 487 7.706 -3.761 -4.793 1.00 62.30 C ATOM 920 O ILE X 487 7.770 -3.074 -5.813 1.00 15.43 O ATOM 921 CB ILE X 487 9.660 -3.815 -3.242 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.276 -3.228 -1.969 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.544 -3.527 -4.446 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.315 -1.716 -1.958 1.00 35.13 C ATOM 0 H ILE X 487 7.765 -4.206 -1.667 1.00 12.05 H new ATOM 0 HA ILE X 487 8.304 -2.155 -3.498 1.00 10.12 H new ATOM 0 HB ILE X 487 9.584 -4.896 -3.122 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.707 -3.575 -1.106 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.291 -3.610 -1.856 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.539 -3.937 -4.273 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.111 -3.987 -5.334 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.617 -2.450 -4.595 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.764 -1.370 -1.027 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.909 -1.361 -2.800 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.301 -1.325 -2.039 1.00 35.13 H new ATOM 935 N LYS X 488 7.169 -4.977 -4.774 1.00 1.41 N ATOM 936 CA LYS X 488 6.612 -5.587 -5.974 1.00 43.53 C ATOM 937 C LYS X 488 5.273 -4.952 -6.337 1.00 53.44 C ATOM 938 O LYS X 488 4.983 -4.718 -7.510 1.00 72.22 O ATOM 939 CB LYS X 488 6.436 -7.093 -5.771 1.00 2.51 C ATOM 940 CG LYS X 488 5.548 -7.448 -4.592 1.00 3.34 C ATOM 941 CD LYS X 488 5.460 -8.952 -4.392 1.00 3.43 C ATOM 942 CE LYS X 488 4.895 -9.645 -5.622 1.00 41.43 C ATOM 943 NZ LYS X 488 3.616 -9.026 -6.070 1.00 22.33 N ATOM 0 H LYS X 488 7.108 -5.559 -3.939 1.00 1.41 H new ATOM 0 HA LYS X 488 7.309 -5.416 -6.794 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.013 -7.526 -6.677 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.416 -7.549 -5.627 1.00 2.51 H new ATOM 0 HG2 LYS X 488 5.939 -6.982 -3.688 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.549 -7.042 -4.753 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.451 -9.350 -4.172 1.00 3.43 H new ATOM 0 HD3 LYS X 488 4.830 -9.169 -3.529 1.00 3.43 H new ATOM 0 HE2 LYS X 488 5.624 -9.599 -6.431 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.730 -10.700 -5.401 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 3.007 -9.755 -6.493 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 3.131 -8.601 -5.254 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.816 -8.289 -6.776 1.00 22.33 H new ATOM 953 N LYS X 489 4.462 -4.675 -5.322 1.00 24.34 N ATOM 954 CA LYS X 489 3.154 -4.065 -5.532 1.00 21.32 C ATOM 955 C LYS X 489 3.297 -2.637 -6.050 1.00 63.33 C ATOM 956 O LYS X 489 2.609 -2.235 -6.989 1.00 53.33 O ATOM 957 CB LYS X 489 2.351 -4.069 -4.230 1.00 54.52 C ATOM 958 CG LYS X 489 1.317 -5.178 -4.156 1.00 54.51 C ATOM 959 CD LYS X 489 1.964 -6.551 -4.243 1.00 14.12 C ATOM 960 CE LYS X 489 0.925 -7.647 -4.427 1.00 62.31 C ATOM 961 NZ LYS X 489 0.366 -7.657 -5.807 1.00 3.10 N ATOM 0 H LYS X 489 4.687 -4.863 -4.345 1.00 24.34 H new ATOM 0 HA LYS X 489 2.623 -4.653 -6.280 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.038 -4.168 -3.390 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.849 -3.108 -4.120 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.760 -5.096 -3.223 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.598 -5.061 -4.967 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.667 -6.571 -5.076 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.539 -6.742 -3.337 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.377 -8.615 -4.211 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.117 -7.505 -3.709 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.221 -8.506 -5.938 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.217 -6.808 -5.952 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 1.144 -7.664 -6.497 1.00 3.10 H new ATOM 971 N TYR X 490 4.195 -1.876 -5.433 1.00 63.10 N ATOM 972 CA TYR X 490 4.426 -0.493 -5.830 1.00 65.13 C ATOM 973 C TYR X 490 5.512 -0.408 -6.899 1.00 43.30 C ATOM 974 O TYR X 490 5.848 0.676 -7.375 1.00 45.35 O ATOM 975 CB TYR X 490 4.823 0.349 -4.617 1.00 31.24 C ATOM 976 CG TYR X 490 3.747 0.431 -3.559 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.507 0.992 -3.842 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.968 -0.053 -2.275 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.521 1.070 -2.878 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.987 0.019 -1.305 1.00 30.22 C ATOM 981 CZ TYR X 490 1.765 0.582 -1.612 1.00 51.31 C ATOM 982 OH TYR X 490 0.785 0.656 -0.649 1.00 54.23 O ATOM 0 H TYR X 490 4.774 -2.194 -4.656 1.00 63.10 H new ATOM 0 HA TYR X 490 3.498 -0.102 -6.247 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.726 -0.071 -4.173 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.071 1.357 -4.950 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.311 1.374 -4.833 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.924 -0.493 -2.031 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.564 1.511 -3.115 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.175 -0.363 -0.312 1.00 30.22 H new ATOM 0 HH TYR X 490 0.854 -0.118 -0.052 1.00 54.23 H new ATOM 991 N GLY X 491 6.057 -1.561 -7.272 1.00 12.33 N ATOM 992 CA GLY X 491 7.099 -1.598 -8.283 1.00 73.13 C ATOM 993 C GLY X 491 8.224 -0.626 -7.989 1.00 70.25 C ATOM 994 O GLY X 491 8.714 0.057 -8.890 1.00 25.21 O ATOM 0 H GLY X 491 5.796 -2.471 -6.893 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.503 -2.608 -8.348 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.666 -1.365 -9.256 1.00 73.13 H new ATOM 998 N ILE X 492 8.635 -0.561 -6.727 1.00 33.34 N ATOM 999 CA ILE X 492 9.709 0.335 -6.317 1.00 12.35 C ATOM 1000 C ILE X 492 11.069 -0.211 -6.739 1.00 73.33 C ATOM 1001 O ILE X 492 11.246 -1.419 -6.887 1.00 45.43 O ATOM 1002 CB ILE X 492 9.707 0.557 -4.793 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.285 0.824 -4.297 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.628 1.711 -4.426 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.184 0.948 -2.793 1.00 21.21 C ATOM 0 H ILE X 492 8.240 -1.119 -5.970 1.00 33.34 H new ATOM 0 HA ILE X 492 9.532 1.289 -6.814 1.00 12.35 H new ATOM 0 HB ILE X 492 10.077 -0.346 -4.308 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.915 1.741 -4.755 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.634 0.016 -4.632 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.616 1.856 -3.346 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.643 1.484 -4.751 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.285 2.621 -4.918 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.148 1.137 -2.512 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.523 0.022 -2.328 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.808 1.774 -2.453 1.00 21.21 H new ATOM 1016 N GLU X 493 12.028 0.690 -6.929 1.00 41.10 N ATOM 1017 CA GLU X 493 13.374 0.299 -7.332 1.00 52.04 C ATOM 1018 C GLU X 493 14.331 0.335 -6.143 1.00 43.33 C ATOM 1019 O GLU X 493 14.011 0.889 -5.091 1.00 63.45 O ATOM 1020 CB GLU X 493 13.887 1.221 -8.441 1.00 63.11 C ATOM 1021 CG GLU X 493 13.016 1.218 -9.686 1.00 11.52 C ATOM 1022 CD GLU X 493 13.201 2.463 -10.530 1.00 74.15 C ATOM 1023 OE1 GLU X 493 14.149 2.492 -11.344 1.00 62.13 O ATOM 1024 OE2 GLU X 493 12.400 3.408 -10.379 1.00 70.23 O ATOM 0 H GLU X 493 11.898 1.695 -6.810 1.00 41.10 H new ATOM 0 HA GLU X 493 13.329 -0.722 -7.710 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.951 2.238 -8.055 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.898 0.919 -8.714 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.250 0.339 -10.286 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.970 1.135 -9.393 1.00 11.52 H new