USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=10 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 485 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: X 488 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: X 489 LYS NZ :NH3+ -163:sc= 0.252 (180deg=0.0674) USER MOD Single : X 455 LYS NZ :NH3+ -120:sc= -0.341 (180deg=-2.77!) USER MOD Single : X 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 464 LYS NZ :NH3+ 159:sc= -0.0504 (180deg=-0.404) USER MOD Single : X 465 THR OG1 : rot 13:sc= 0.494 USER MOD Single : X 467 TYR OH : rot 56:sc= 1.28 USER MOD Single : X 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 470 SER OG : rot 180:sc= 0 USER MOD Single : X 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.61 X(o=-1.6,f=-1.5!) USER MOD Single : X 490 TYR OH : rot 110:sc= -1.64 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.148 5.161 1.382 1.00 61.44 N ATOM 395 CA GLU X 454 2.809 3.879 1.599 1.00 4.33 C ATOM 396 C GLU X 454 4.047 3.748 0.717 1.00 54.22 C ATOM 397 O GLU X 454 5.130 3.405 1.193 1.00 33.03 O ATOM 398 CB GLU X 454 1.842 2.728 1.314 1.00 4.25 C ATOM 399 CG GLU X 454 2.274 1.405 1.924 1.00 54.45 C ATOM 400 CD GLU X 454 1.119 0.437 2.096 1.00 73.14 C ATOM 401 OE1 GLU X 454 0.120 0.813 2.744 1.00 25.31 O ATOM 402 OE2 GLU X 454 1.215 -0.696 1.581 1.00 32.21 O ATOM 0 HA GLU X 454 3.122 3.832 2.642 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.856 2.990 1.697 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.743 2.606 0.235 1.00 4.25 H new ATOM 0 HG2 GLU X 454 3.035 0.948 1.291 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.736 1.590 2.894 1.00 54.45 H new ATOM 407 N LYS X 455 3.879 4.025 -0.572 1.00 25.33 N ATOM 408 CA LYS X 455 4.981 3.939 -1.523 1.00 0.54 C ATOM 409 C LYS X 455 6.074 4.948 -1.183 1.00 62.42 C ATOM 410 O LYS X 455 7.262 4.632 -1.233 1.00 21.12 O ATOM 411 CB LYS X 455 4.474 4.182 -2.947 1.00 34.23 C ATOM 412 CG LYS X 455 5.581 4.239 -3.985 1.00 13.52 C ATOM 413 CD LYS X 455 5.941 5.672 -4.336 1.00 51.32 C ATOM 414 CE LYS X 455 7.445 5.897 -4.287 1.00 3.43 C ATOM 415 NZ LYS X 455 8.061 5.830 -5.641 1.00 10.05 N ATOM 0 H LYS X 455 2.990 4.311 -0.982 1.00 25.33 H new ATOM 0 HA LYS X 455 5.404 2.936 -1.460 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.776 3.389 -3.216 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.917 5.118 -2.970 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.463 3.723 -3.606 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.265 3.711 -4.885 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.569 5.908 -5.333 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.447 6.353 -3.642 1.00 51.32 H new ATOM 0 HE2 LYS X 455 7.652 6.870 -3.842 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.903 5.147 -3.642 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.767 5.067 -5.664 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.323 5.641 -6.349 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 8.524 6.736 -5.857 1.00 10.05 H new ATOM 425 N LYS X 456 5.662 6.162 -0.833 1.00 23.55 N ATOM 426 CA LYS X 456 6.604 7.217 -0.481 1.00 51.54 C ATOM 427 C LYS X 456 7.398 6.844 0.767 1.00 23.14 C ATOM 428 O LYS X 456 8.586 7.151 0.875 1.00 54.11 O ATOM 429 CB LYS X 456 5.863 8.536 -0.251 1.00 65.35 C ATOM 430 CG LYS X 456 5.517 9.272 -1.535 1.00 12.34 C ATOM 431 CD LYS X 456 4.756 10.556 -1.254 1.00 41.13 C ATOM 432 CE LYS X 456 4.522 11.355 -2.526 1.00 35.30 C ATOM 433 NZ LYS X 456 5.669 12.252 -2.837 1.00 61.51 N ATOM 0 H LYS X 456 4.682 6.439 -0.786 1.00 23.55 H new ATOM 0 HA LYS X 456 7.300 7.338 -1.311 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.945 8.336 0.302 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.477 9.184 0.375 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.432 9.502 -2.081 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.917 8.625 -2.176 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.798 10.319 -0.791 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.314 11.162 -0.540 1.00 41.13 H new ATOM 0 HE2 LYS X 456 4.359 10.671 -3.359 1.00 35.30 H new ATOM 0 HE3 LYS X 456 3.615 11.950 -2.420 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 5.470 12.779 -3.711 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 5.809 12.921 -2.053 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 6.530 11.683 -2.964 1.00 61.51 H new ATOM 443 N ARG X 457 6.735 6.179 1.708 1.00 71.11 N ATOM 444 CA ARG X 457 7.379 5.764 2.948 1.00 35.12 C ATOM 445 C ARG X 457 8.423 4.683 2.683 1.00 55.14 C ATOM 446 O ARG X 457 9.554 4.768 3.161 1.00 20.31 O ATOM 447 CB ARG X 457 6.336 5.248 3.941 1.00 21.50 C ATOM 448 CG ARG X 457 5.604 6.354 4.684 1.00 50.23 C ATOM 449 CD ARG X 457 6.360 6.780 5.934 1.00 12.04 C ATOM 450 NE ARG X 457 5.528 7.575 6.832 1.00 20.01 N ATOM 451 CZ ARG X 457 5.185 8.836 6.593 1.00 74.42 C ATOM 452 NH1 ARG X 457 5.599 9.441 5.489 1.00 71.32 N ATOM 453 NH2 ARG X 457 4.424 9.493 7.460 1.00 51.31 N ATOM 0 H ARG X 457 5.752 5.916 1.635 1.00 71.11 H new ATOM 0 HA ARG X 457 7.880 6.632 3.376 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.608 4.638 3.406 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.827 4.598 4.665 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.475 7.213 4.025 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.607 6.011 4.960 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.718 5.895 6.460 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.239 7.358 5.647 1.00 12.04 H new ATOM 0 HE ARG X 457 5.191 7.138 7.690 1.00 20.01 H new ATOM 0 HH11 ARG X 457 6.183 8.938 4.820 1.00 71.32 H new ATOM 0 HH12 ARG X 457 5.334 10.409 5.308 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.103 9.030 8.310 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.161 10.461 7.276 1.00 51.31 H new ATOM 464 N ILE X 458 8.034 3.667 1.919 1.00 20.05 N ATOM 465 CA ILE X 458 8.936 2.570 1.591 1.00 63.42 C ATOM 466 C ILE X 458 10.169 3.075 0.848 1.00 45.00 C ATOM 467 O ILE X 458 11.301 2.786 1.234 1.00 10.42 O ATOM 468 CB ILE X 458 8.234 1.503 0.731 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.048 0.904 1.491 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.219 0.412 0.332 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.456 -0.036 2.604 1.00 74.53 C ATOM 0 H ILE X 458 7.101 3.581 1.516 1.00 20.05 H new ATOM 0 HA ILE X 458 9.243 2.120 2.535 1.00 63.42 H new ATOM 0 HB ILE X 458 7.859 1.977 -0.176 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.450 1.713 1.911 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.410 0.367 0.789 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.708 -0.335 -0.276 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.035 0.851 -0.242 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.620 -0.062 1.228 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.565 -0.422 3.099 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.029 -0.865 2.188 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.069 0.501 3.328 1.00 74.53 H new ATOM 482 N ILE X 459 9.939 3.833 -0.219 1.00 30.41 N ATOM 483 CA ILE X 459 11.031 4.382 -1.014 1.00 14.13 C ATOM 484 C ILE X 459 11.888 5.335 -0.188 1.00 54.12 C ATOM 485 O ILE X 459 13.109 5.380 -0.343 1.00 73.32 O ATOM 486 CB ILE X 459 10.504 5.128 -2.255 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.660 5.482 -3.192 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.749 6.381 -1.838 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.314 5.343 -4.658 1.00 14.20 C ATOM 0 H ILE X 459 9.008 4.081 -0.553 1.00 30.41 H new ATOM 0 HA ILE X 459 11.640 3.538 -1.338 1.00 14.13 H new ATOM 0 HB ILE X 459 9.815 4.474 -2.790 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.974 6.507 -2.997 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.511 4.839 -2.965 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.383 6.897 -2.725 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.906 6.104 -1.205 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.417 7.041 -1.284 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.180 5.610 -5.263 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.028 4.312 -4.868 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.484 6.006 -4.900 1.00 14.20 H new ATOM 500 N GLU X 460 11.241 6.094 0.691 1.00 70.03 N ATOM 501 CA GLU X 460 11.945 7.045 1.542 1.00 55.24 C ATOM 502 C GLU X 460 12.913 6.325 2.478 1.00 12.02 C ATOM 503 O GLU X 460 14.091 6.673 2.557 1.00 12.20 O ATOM 504 CB GLU X 460 10.948 7.868 2.359 1.00 64.30 C ATOM 505 CG GLU X 460 11.597 8.713 3.442 1.00 23.33 C ATOM 506 CD GLU X 460 10.725 9.874 3.878 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.745 9.636 4.615 1.00 74.02 O ATOM 508 OE2 GLU X 460 11.023 11.020 3.484 1.00 44.32 O ATOM 0 H GLU X 460 10.231 6.069 0.832 1.00 70.03 H new ATOM 0 HA GLU X 460 12.517 7.714 0.899 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.391 8.520 1.686 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.226 7.194 2.820 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.817 8.084 4.305 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.550 9.096 3.076 1.00 23.33 H new ATOM 513 N ALA X 461 12.407 5.320 3.185 1.00 23.10 N ATOM 514 CA ALA X 461 13.226 4.550 4.113 1.00 30.24 C ATOM 515 C ALA X 461 14.377 3.862 3.388 1.00 45.21 C ATOM 516 O ALA X 461 15.516 3.875 3.857 1.00 60.24 O ATOM 517 CB ALA X 461 12.371 3.526 4.845 1.00 43.23 C ATOM 0 H ALA X 461 11.434 5.020 3.133 1.00 23.10 H new ATOM 0 HA ALA X 461 13.652 5.239 4.842 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.995 2.958 5.535 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.587 4.038 5.403 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.918 2.847 4.122 1.00 43.23 H new ATOM 523 N LEU X 462 14.074 3.260 2.244 1.00 41.14 N ATOM 524 CA LEU X 462 15.085 2.564 1.454 1.00 32.12 C ATOM 525 C LEU X 462 16.227 3.504 1.083 1.00 23.05 C ATOM 526 O LEU X 462 17.391 3.218 1.356 1.00 51.52 O ATOM 527 CB LEU X 462 14.457 1.980 0.187 1.00 22.31 C ATOM 528 CG LEU X 462 13.815 0.599 0.331 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.854 0.336 -0.816 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.885 -0.482 0.393 1.00 72.43 C ATOM 0 H LEU X 462 13.137 3.239 1.842 1.00 41.14 H new ATOM 0 HA LEU X 462 15.489 1.752 2.059 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.699 2.676 -0.172 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.227 1.922 -0.583 1.00 22.31 H new ATOM 0 HG LEU X 462 13.250 0.576 1.263 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.407 -0.651 -0.697 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.069 1.093 -0.814 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.395 0.377 -1.761 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.411 -1.458 0.495 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.477 -0.461 -0.522 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.534 -0.302 1.250 1.00 72.43 H new ATOM 541 N GLU X 463 15.883 4.626 0.458 1.00 4.01 N ATOM 542 CA GLU X 463 16.881 5.609 0.051 1.00 14.12 C ATOM 543 C GLU X 463 17.688 6.096 1.252 1.00 33.23 C ATOM 544 O GLU X 463 18.897 6.308 1.157 1.00 3.32 O ATOM 545 CB GLU X 463 16.208 6.796 -0.641 1.00 41.55 C ATOM 546 CG GLU X 463 15.399 6.407 -1.867 1.00 22.34 C ATOM 547 CD GLU X 463 16.083 6.794 -3.164 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.326 6.918 -3.164 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.377 6.973 -4.178 1.00 1.41 O ATOM 0 H GLU X 463 14.923 4.877 0.223 1.00 4.01 H new ATOM 0 HA GLU X 463 17.562 5.127 -0.651 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.553 7.298 0.072 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.972 7.516 -0.934 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.228 5.331 -1.858 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.421 6.886 -1.819 1.00 22.34 H new ATOM 554 N LYS X 464 17.009 6.272 2.380 1.00 23.51 N ATOM 555 CA LYS X 464 17.660 6.733 3.600 1.00 44.12 C ATOM 556 C LYS X 464 18.537 5.637 4.197 1.00 71.21 C ATOM 557 O LYS X 464 19.487 5.917 4.929 1.00 34.14 O ATOM 558 CB LYS X 464 16.612 7.178 4.624 1.00 41.33 C ATOM 559 CG LYS X 464 15.912 8.474 4.254 1.00 1.43 C ATOM 560 CD LYS X 464 14.592 8.624 4.992 1.00 74.45 C ATOM 561 CE LYS X 464 14.804 9.097 6.422 1.00 13.32 C ATOM 562 NZ LYS X 464 15.348 10.482 6.475 1.00 54.43 N ATOM 0 H LYS X 464 16.008 6.102 2.475 1.00 23.51 H new ATOM 0 HA LYS X 464 18.294 7.582 3.345 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.866 6.391 4.734 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.093 7.299 5.595 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.560 9.319 4.489 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.734 8.499 3.179 1.00 1.43 H new ATOM 0 HD2 LYS X 464 13.957 9.334 4.463 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.066 7.669 4.998 1.00 74.45 H new ATOM 0 HE2 LYS X 464 13.857 9.058 6.961 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.489 8.419 6.931 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 15.151 10.897 7.408 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 16.376 10.458 6.317 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 14.898 11.060 5.737 1.00 54.43 H new ATOM 572 N THR X 465 18.212 4.387 3.880 1.00 13.11 N ATOM 573 CA THR X 465 18.969 3.249 4.384 1.00 52.11 C ATOM 574 C THR X 465 20.062 2.838 3.404 1.00 75.51 C ATOM 575 O THR X 465 20.946 2.050 3.738 1.00 65.34 O ATOM 576 CB THR X 465 18.055 2.040 4.652 1.00 42.21 C ATOM 577 OG1 THR X 465 17.290 1.734 3.481 1.00 52.14 O ATOM 578 CG2 THR X 465 17.116 2.319 5.818 1.00 61.42 C ATOM 0 H THR X 465 17.429 4.138 3.276 1.00 13.11 H new ATOM 0 HA THR X 465 19.426 3.564 5.322 1.00 52.11 H new ATOM 0 HB THR X 465 18.684 1.187 4.908 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.662 2.215 2.712 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.480 1.451 5.989 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.701 2.523 6.715 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.495 3.184 5.586 1.00 61.42 H new ATOM 586 N GLY X 466 19.995 3.378 2.191 1.00 31.45 N ATOM 587 CA GLY X 466 20.986 3.055 1.180 1.00 73.12 C ATOM 588 C GLY X 466 20.522 1.956 0.244 1.00 2.02 C ATOM 589 O GLY X 466 21.304 1.084 -0.138 1.00 72.31 O ATOM 0 H GLY X 466 19.273 4.033 1.890 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.214 3.949 0.600 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.911 2.747 1.668 1.00 73.12 H new ATOM 593 N TYR X 467 19.248 1.995 -0.126 1.00 22.12 N ATOM 594 CA TYR X 467 18.680 0.993 -1.019 1.00 42.34 C ATOM 595 C TYR X 467 18.796 -0.404 -0.416 1.00 41.45 C ATOM 596 O TYR X 467 19.329 -1.321 -1.041 1.00 0.12 O ATOM 597 CB TYR X 467 19.382 1.034 -2.378 1.00 12.11 C ATOM 598 CG TYR X 467 19.297 2.378 -3.064 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.066 2.964 -3.336 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.445 3.063 -3.439 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.983 4.192 -3.963 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.372 4.292 -4.065 1.00 24.43 C ATOM 603 CZ TYR X 467 19.139 4.852 -4.325 1.00 42.32 C ATOM 604 OH TYR X 467 19.061 6.076 -4.950 1.00 45.41 O ATOM 0 H TYR X 467 18.588 2.710 0.179 1.00 22.12 H new ATOM 0 HA TYR X 467 17.623 1.223 -1.156 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.431 0.770 -2.244 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.943 0.276 -3.027 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.159 2.450 -3.052 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.412 2.627 -3.238 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.019 4.633 -4.169 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.275 4.811 -4.349 1.00 24.43 H new ATOM 0 HH TYR X 467 18.535 6.692 -4.399 1.00 45.41 H new ATOM 613 N VAL X 468 18.291 -0.558 0.804 1.00 21.22 N ATOM 614 CA VAL X 468 18.335 -1.842 1.494 1.00 11.54 C ATOM 615 C VAL X 468 16.961 -2.223 2.034 1.00 22.10 C ATOM 616 O VAL X 468 16.388 -1.513 2.860 1.00 25.15 O ATOM 617 CB VAL X 468 19.345 -1.820 2.657 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.482 -3.204 3.272 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.695 -1.304 2.180 1.00 32.52 C ATOM 0 H VAL X 468 17.846 0.191 1.335 1.00 21.22 H new ATOM 0 HA VAL X 468 18.652 -2.584 0.762 1.00 11.54 H new ATOM 0 HB VAL X 468 18.973 -1.142 3.425 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.200 -3.168 4.092 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.514 -3.531 3.651 1.00 2.22 H new ATOM 0 HG13 VAL X 468 19.831 -3.906 2.515 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.397 -1.295 3.014 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.076 -1.955 1.393 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.581 -0.292 1.791 1.00 32.52 H new ATOM 629 N LYS X 469 16.439 -3.351 1.564 1.00 2.33 N ATOM 630 CA LYS X 469 15.133 -3.830 2.000 1.00 73.34 C ATOM 631 C LYS X 469 15.151 -4.182 3.486 1.00 0.52 C ATOM 632 O LYS X 469 14.224 -3.846 4.223 1.00 43.22 O ATOM 633 CB LYS X 469 14.716 -5.054 1.182 1.00 64.33 C ATOM 634 CG LYS X 469 14.185 -4.708 -0.199 1.00 65.33 C ATOM 635 CD LYS X 469 13.322 -5.827 -0.759 1.00 74.35 C ATOM 636 CE LYS X 469 13.417 -5.898 -2.276 1.00 63.33 C ATOM 637 NZ LYS X 469 14.652 -6.602 -2.720 1.00 50.11 N ATOM 0 H LYS X 469 16.901 -3.951 0.881 1.00 2.33 H new ATOM 0 HA LYS X 469 14.409 -3.030 1.841 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.573 -5.720 1.077 1.00 64.33 H new ATOM 0 HB3 LYS X 469 13.950 -5.604 1.730 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.602 -3.789 -0.146 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.019 -4.518 -0.874 1.00 65.33 H new ATOM 0 HD2 LYS X 469 13.634 -6.779 -0.329 1.00 74.35 H new ATOM 0 HD3 LYS X 469 12.284 -5.669 -0.465 1.00 74.35 H new ATOM 0 HE2 LYS X 469 12.542 -6.414 -2.671 1.00 63.33 H new ATOM 0 HE3 LYS X 469 13.405 -4.889 -2.689 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 14.681 -6.630 -3.759 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 15.487 -6.095 -2.364 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 14.651 -7.573 -2.347 1.00 50.11 H new ATOM 647 N SER X 470 16.212 -4.856 3.916 1.00 71.13 N ATOM 648 CA SER X 470 16.349 -5.253 5.313 1.00 51.22 C ATOM 649 C SER X 470 16.304 -4.036 6.232 1.00 51.22 C ATOM 650 O SER X 470 15.521 -3.990 7.181 1.00 14.32 O ATOM 651 CB SER X 470 17.659 -6.016 5.522 1.00 52.44 C ATOM 652 OG SER X 470 17.612 -6.794 6.705 1.00 5.24 O ATOM 0 H SER X 470 16.989 -5.139 3.318 1.00 71.13 H new ATOM 0 HA SER X 470 15.512 -5.905 5.563 1.00 51.22 H new ATOM 0 HB2 SER X 470 17.848 -6.662 4.665 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.489 -5.312 5.579 1.00 52.44 H new ATOM 0 HG SER X 470 18.460 -7.273 6.815 1.00 5.24 H new ATOM 657 N ARG X 471 17.149 -3.052 5.942 1.00 75.24 N ATOM 658 CA ARG X 471 17.207 -1.834 6.742 1.00 11.02 C ATOM 659 C ARG X 471 15.911 -1.040 6.618 1.00 64.24 C ATOM 660 O ARG X 471 15.415 -0.484 7.597 1.00 23.30 O ATOM 661 CB ARG X 471 18.391 -0.970 6.307 1.00 3.34 C ATOM 662 CG ARG X 471 19.744 -1.610 6.575 1.00 74.42 C ATOM 663 CD ARG X 471 20.823 -1.031 5.674 1.00 11.42 C ATOM 664 NE ARG X 471 21.837 -2.023 5.326 1.00 42.13 N ATOM 665 CZ ARG X 471 22.841 -2.360 6.127 1.00 73.44 C ATOM 666 NH1 ARG X 471 22.966 -1.788 7.316 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.723 -3.272 5.739 1.00 13.40 N ATOM 0 H ARG X 471 17.803 -3.074 5.159 1.00 75.24 H new ATOM 0 HA ARG X 471 17.339 -2.120 7.786 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.303 -0.759 5.241 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.342 -0.013 6.827 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.019 -1.457 7.619 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.676 -2.686 6.417 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.366 -0.645 4.763 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.298 -0.187 6.174 1.00 11.42 H new ATOM 0 HE ARG X 471 21.770 -2.482 4.418 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.290 -1.087 7.618 1.00 54.24 H new ATOM 0 HH12 ARG X 471 23.738 -2.049 7.929 1.00 54.24 H new ATOM 0 HH21 ARG X 471 23.630 -3.715 4.825 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.494 -3.530 6.355 1.00 13.40 H new ATOM 678 N ALA X 472 15.367 -0.989 5.405 1.00 63.50 N ATOM 679 CA ALA X 472 14.129 -0.265 5.153 1.00 51.02 C ATOM 680 C ALA X 472 12.957 -0.906 5.889 1.00 14.44 C ATOM 681 O ALA X 472 12.038 -0.217 6.331 1.00 62.31 O ATOM 682 CB ALA X 472 13.847 -0.205 3.659 1.00 12.21 C ATOM 0 H ALA X 472 15.766 -1.441 4.582 1.00 63.50 H new ATOM 0 HA ALA X 472 14.249 0.751 5.530 1.00 51.02 H new ATOM 0 HB1 ALA X 472 12.919 0.339 3.486 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.667 0.306 3.154 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.753 -1.217 3.265 1.00 12.21 H new ATOM 688 N ALA X 473 12.997 -2.228 6.016 1.00 33.12 N ATOM 689 CA ALA X 473 11.939 -2.962 6.700 1.00 5.31 C ATOM 690 C ALA X 473 12.002 -2.740 8.207 1.00 1.25 C ATOM 691 O ALA X 473 11.011 -2.364 8.832 1.00 50.13 O ATOM 692 CB ALA X 473 12.034 -4.447 6.379 1.00 61.31 C ATOM 0 H ALA X 473 13.750 -2.813 5.654 1.00 33.12 H new ATOM 0 HA ALA X 473 10.981 -2.585 6.343 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.238 -4.983 6.896 1.00 61.31 H new ATOM 0 HB2 ALA X 473 11.931 -4.594 5.304 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.001 -4.829 6.707 1.00 61.31 H new ATOM 698 N LYS X 474 13.175 -2.975 8.786 1.00 62.03 N ATOM 699 CA LYS X 474 13.368 -2.800 10.221 1.00 24.40 C ATOM 700 C LYS X 474 13.152 -1.346 10.625 1.00 54.40 C ATOM 701 O LYS X 474 12.680 -1.062 11.728 1.00 74.45 O ATOM 702 CB LYS X 474 14.775 -3.249 10.625 1.00 34.32 C ATOM 703 CG LYS X 474 15.881 -2.560 9.844 1.00 3.21 C ATOM 704 CD LYS X 474 16.302 -1.258 10.505 1.00 54.32 C ATOM 705 CE LYS X 474 17.780 -1.266 10.861 1.00 20.00 C ATOM 706 NZ LYS X 474 18.066 -0.439 12.065 1.00 3.13 N ATOM 0 H LYS X 474 14.006 -3.287 8.284 1.00 62.03 H new ATOM 0 HA LYS X 474 12.633 -3.416 10.739 1.00 24.40 H new ATOM 0 HB2 LYS X 474 14.918 -3.056 11.688 1.00 34.32 H new ATOM 0 HB3 LYS X 474 14.858 -4.326 10.483 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.741 -3.225 9.766 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.540 -2.360 8.828 1.00 3.21 H new ATOM 0 HD2 LYS X 474 16.093 -0.424 9.835 1.00 54.32 H new ATOM 0 HD3 LYS X 474 15.710 -1.099 11.407 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.105 -2.291 11.039 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.359 -0.891 10.017 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.084 -0.471 12.274 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 17.780 0.545 11.886 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 17.534 -0.812 12.877 1.00 3.13 H new ATOM 716 N LEU X 475 13.497 -0.429 9.729 1.00 10.44 N ATOM 717 CA LEU X 475 13.339 0.997 9.992 1.00 74.31 C ATOM 718 C LEU X 475 11.868 1.399 9.946 1.00 24.12 C ATOM 719 O LEU X 475 11.360 2.042 10.867 1.00 74.13 O ATOM 720 CB LEU X 475 14.135 1.816 8.975 1.00 52.05 C ATOM 721 CG LEU X 475 14.393 3.277 9.343 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.536 3.842 8.514 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.131 4.106 9.152 1.00 53.02 C ATOM 0 H LEU X 475 13.888 -0.647 8.813 1.00 10.44 H new ATOM 0 HA LEU X 475 13.722 1.201 10.992 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.096 1.327 8.817 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.605 1.790 8.023 1.00 52.05 H new ATOM 0 HG LEU X 475 14.677 3.323 10.394 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.705 4.883 8.790 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.441 3.265 8.702 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.281 3.784 7.456 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.333 5.143 9.419 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.816 4.054 8.110 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.339 3.715 9.790 1.00 53.02 H new ATOM 734 N LEU X 476 11.188 1.015 8.872 1.00 14.12 N ATOM 735 CA LEU X 476 9.775 1.333 8.707 1.00 2.33 C ATOM 736 C LEU X 476 8.931 0.634 9.767 1.00 41.31 C ATOM 737 O LEU X 476 8.011 1.224 10.332 1.00 65.41 O ATOM 738 CB LEU X 476 9.300 0.925 7.310 1.00 21.22 C ATOM 739 CG LEU X 476 9.780 1.803 6.155 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.747 1.029 4.846 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.931 3.063 6.053 1.00 71.10 C ATOM 0 H LEU X 476 11.593 0.483 8.102 1.00 14.12 H new ATOM 0 HA LEU X 476 9.655 2.410 8.826 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.626 -0.098 7.122 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.210 0.918 7.306 1.00 21.22 H new ATOM 0 HG LEU X 476 10.810 2.098 6.353 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.092 1.671 4.035 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.398 0.158 4.922 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.727 0.703 4.642 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.287 3.676 5.225 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.891 2.788 5.879 1.00 71.10 H new ATOM 0 HD23 LEU X 476 9.006 3.629 6.982 1.00 71.10 H new ATOM 752 N GLY X 477 9.253 -0.629 10.035 1.00 45.23 N ATOM 753 CA GLY X 477 8.517 -1.387 11.029 1.00 22.13 C ATOM 754 C GLY X 477 7.828 -2.601 10.439 1.00 61.31 C ATOM 755 O GLY X 477 6.894 -3.142 11.031 1.00 35.21 O ATOM 0 H GLY X 477 10.010 -1.140 9.581 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.200 -1.707 11.816 1.00 22.13 H new ATOM 0 HA3 GLY X 477 7.773 -0.742 11.496 1.00 22.13 H new ATOM 759 N TYR X 478 8.287 -3.029 9.269 1.00 41.35 N ATOM 760 CA TYR X 478 7.705 -4.184 8.595 1.00 51.13 C ATOM 761 C TYR X 478 8.745 -5.284 8.404 1.00 65.31 C ATOM 762 O TYR X 478 9.950 -5.037 8.483 1.00 40.51 O ATOM 763 CB TYR X 478 7.125 -3.773 7.241 1.00 71.43 C ATOM 764 CG TYR X 478 6.298 -2.508 7.295 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.400 -2.285 8.330 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.418 -1.536 6.310 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.643 -1.132 8.384 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.665 -0.378 6.355 1.00 51.13 C ATOM 769 CZ TYR X 478 4.778 -0.181 7.394 1.00 63.32 C ATOM 770 OH TYR X 478 4.026 0.971 7.444 1.00 43.33 O ATOM 0 H TYR X 478 9.061 -2.594 8.767 1.00 41.35 H new ATOM 0 HA TYR X 478 6.903 -4.573 9.222 1.00 51.13 H new ATOM 0 HB2 TYR X 478 7.942 -3.633 6.533 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.507 -4.585 6.858 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.292 -3.027 9.107 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.111 -1.688 5.496 1.00 30.21 H new ATOM 0 HE1 TYR X 478 3.949 -0.975 9.197 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.770 0.369 5.582 1.00 51.13 H new ATOM 0 HH TYR X 478 4.242 1.536 6.673 1.00 43.33 H new ATOM 779 N THR X 479 8.272 -6.500 8.149 1.00 31.11 N ATOM 780 CA THR X 479 9.158 -7.639 7.946 1.00 32.34 C ATOM 781 C THR X 479 9.563 -7.766 6.481 1.00 71.23 C ATOM 782 O THR X 479 8.948 -7.160 5.602 1.00 3.54 O ATOM 783 CB THR X 479 8.497 -8.953 8.400 1.00 31.32 C ATOM 784 OG1 THR X 479 9.379 -10.055 8.157 1.00 41.35 O ATOM 785 CG2 THR X 479 7.182 -9.179 7.669 1.00 33.32 C ATOM 0 H THR X 479 7.279 -6.721 8.078 1.00 31.11 H new ATOM 0 HA THR X 479 10.046 -7.460 8.552 1.00 32.34 H new ATOM 0 HB THR X 479 8.293 -8.880 9.468 1.00 31.32 H new ATOM 0 HG1 THR X 479 8.952 -10.887 8.450 1.00 41.35 H new ATOM 0 HG21 THR X 479 6.734 -10.114 8.007 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.502 -8.354 7.880 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.367 -9.232 6.596 1.00 33.32 H new ATOM 793 N LEU X 480 10.599 -8.557 6.225 1.00 51.22 N ATOM 794 CA LEU X 480 11.085 -8.764 4.866 1.00 73.24 C ATOM 795 C LEU X 480 9.941 -9.140 3.929 1.00 73.11 C ATOM 796 O LEU X 480 9.912 -8.723 2.772 1.00 12.40 O ATOM 797 CB LEU X 480 12.154 -9.858 4.847 1.00 54.35 C ATOM 798 CG LEU X 480 12.530 -10.406 3.471 1.00 42.31 C ATOM 799 CD1 LEU X 480 13.162 -9.317 2.617 1.00 10.34 C ATOM 800 CD2 LEU X 480 13.473 -11.593 3.608 1.00 24.30 C ATOM 0 H LEU X 480 11.118 -9.065 6.941 1.00 51.22 H new ATOM 0 HA LEU X 480 11.523 -7.829 4.517 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.055 -9.465 5.318 1.00 54.35 H new ATOM 0 HB3 LEU X 480 11.807 -10.687 5.464 1.00 54.35 H new ATOM 0 HG LEU X 480 11.620 -10.746 2.976 1.00 42.31 H new ATOM 0 HD11 LEU X 480 13.423 -9.726 1.641 1.00 10.34 H new ATOM 0 HD12 LEU X 480 12.454 -8.498 2.490 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.062 -8.946 3.108 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.730 -11.970 2.618 1.00 24.30 H new ATOM 0 HD22 LEU X 480 14.381 -11.279 4.123 1.00 24.30 H new ATOM 0 HD23 LEU X 480 12.985 -12.381 4.181 1.00 24.30 H new ATOM 811 N ARG X 481 9.000 -9.928 4.439 1.00 60.01 N ATOM 812 CA ARG X 481 7.854 -10.359 3.649 1.00 5.23 C ATOM 813 C ARG X 481 6.959 -9.173 3.298 1.00 63.40 C ATOM 814 O ARG X 481 6.609 -8.972 2.136 1.00 34.21 O ATOM 815 CB ARG X 481 7.048 -11.411 4.413 1.00 22.32 C ATOM 816 CG ARG X 481 6.191 -12.290 3.516 1.00 15.42 C ATOM 817 CD ARG X 481 7.038 -13.279 2.732 1.00 33.20 C ATOM 818 NE ARG X 481 7.318 -14.489 3.499 1.00 11.02 N ATOM 819 CZ ARG X 481 8.107 -15.467 3.067 1.00 23.35 C ATOM 820 NH1 ARG X 481 8.690 -15.377 1.880 1.00 64.23 N ATOM 821 NH2 ARG X 481 8.313 -16.537 3.823 1.00 54.34 N ATOM 0 H ARG X 481 9.009 -10.281 5.396 1.00 60.01 H new ATOM 0 HA ARG X 481 8.226 -10.798 2.723 1.00 5.23 H new ATOM 0 HB2 ARG X 481 7.734 -12.042 4.978 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.406 -10.910 5.137 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.465 -12.832 4.122 1.00 15.42 H new ATOM 0 HG3 ARG X 481 5.626 -11.665 2.825 1.00 15.42 H new ATOM 0 HD2 ARG X 481 6.523 -13.546 1.809 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.977 -12.805 2.447 1.00 33.20 H new ATOM 0 HE ARG X 481 6.884 -14.589 4.417 1.00 11.02 H new ATOM 0 HH11 ARG X 481 8.533 -14.556 1.296 1.00 64.23 H new ATOM 0 HH12 ARG X 481 9.295 -16.129 1.551 1.00 64.23 H new ATOM 0 HH21 ARG X 481 7.866 -16.610 4.737 1.00 54.34 H new ATOM 0 HH22 ARG X 481 8.919 -17.287 3.491 1.00 54.34 H new ATOM 832 N GLN X 482 6.594 -8.394 4.310 1.00 43.45 N ATOM 833 CA GLN X 482 5.740 -7.230 4.108 1.00 74.43 C ATOM 834 C GLN X 482 6.401 -6.226 3.169 1.00 15.22 C ATOM 835 O GLN X 482 5.820 -5.832 2.156 1.00 24.12 O ATOM 836 CB GLN X 482 5.426 -6.562 5.448 1.00 61.30 C ATOM 837 CG GLN X 482 4.471 -7.362 6.318 1.00 11.44 C ATOM 838 CD GLN X 482 3.208 -7.763 5.582 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.203 -8.724 4.811 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.127 -7.028 5.815 1.00 62.51 N ATOM 0 H GLN X 482 6.876 -8.547 5.278 1.00 43.45 H new ATOM 0 HA GLN X 482 4.810 -7.569 3.652 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.357 -6.406 5.993 1.00 61.30 H new ATOM 0 HB3 GLN X 482 4.997 -5.578 5.262 1.00 61.30 H new ATOM 0 HG2 GLN X 482 4.977 -8.258 6.678 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.204 -6.772 7.195 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.175 -6.240 6.461 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.248 -7.251 5.348 1.00 62.51 H new ATOM 847 N LEU X 483 7.617 -5.817 3.510 1.00 30.43 N ATOM 848 CA LEU X 483 8.358 -4.858 2.697 1.00 23.25 C ATOM 849 C LEU X 483 8.453 -5.330 1.250 1.00 43.34 C ATOM 850 O LEU X 483 8.116 -4.594 0.322 1.00 12.42 O ATOM 851 CB LEU X 483 9.761 -4.649 3.270 1.00 32.11 C ATOM 852 CG LEU X 483 10.524 -3.432 2.748 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.471 -2.294 3.757 1.00 33.51 C ATOM 854 CD2 LEU X 483 11.967 -3.801 2.435 1.00 65.25 C ATOM 0 H LEU X 483 8.112 -6.134 4.344 1.00 30.43 H new ATOM 0 HA LEU X 483 7.820 -3.910 2.717 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.680 -4.565 4.354 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.353 -5.540 3.063 1.00 32.11 H new ATOM 0 HG LEU X 483 10.047 -3.097 1.827 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.020 -1.437 3.367 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.433 -2.011 3.932 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.922 -2.618 4.695 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.495 -2.922 2.065 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.455 -4.163 3.340 1.00 65.25 H new ATOM 0 HD23 LEU X 483 11.986 -4.583 1.676 1.00 65.25 H new ATOM 865 N ASP X 484 8.912 -6.563 1.065 1.00 4.40 N ATOM 866 CA ASP X 484 9.048 -7.136 -0.270 1.00 74.33 C ATOM 867 C ASP X 484 7.735 -7.036 -1.040 1.00 23.13 C ATOM 868 O ASP X 484 7.715 -6.630 -2.203 1.00 2.41 O ATOM 869 CB ASP X 484 9.491 -8.596 -0.178 1.00 53.22 C ATOM 870 CG ASP X 484 9.832 -9.184 -1.534 1.00 43.05 C ATOM 871 OD1 ASP X 484 8.904 -9.630 -2.238 1.00 12.45 O ATOM 872 OD2 ASP X 484 11.030 -9.197 -1.890 1.00 13.14 O ATOM 0 H ASP X 484 9.196 -7.185 1.822 1.00 4.40 H new ATOM 0 HA ASP X 484 9.807 -6.568 -0.808 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.361 -8.668 0.475 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.697 -9.185 0.281 1.00 53.22 H new ATOM 876 N TYR X 485 6.641 -7.410 -0.387 1.00 62.24 N ATOM 877 CA TYR X 485 5.324 -7.367 -1.011 1.00 54.52 C ATOM 878 C TYR X 485 4.992 -5.955 -1.483 1.00 35.33 C ATOM 879 O TYR X 485 4.368 -5.770 -2.528 1.00 43.32 O ATOM 880 CB TYR X 485 4.256 -7.854 -0.031 1.00 42.42 C ATOM 881 CG TYR X 485 3.073 -8.514 -0.703 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.232 -9.677 -1.448 1.00 11.33 C ATOM 883 CD2 TYR X 485 1.797 -7.976 -0.595 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.155 -10.283 -2.065 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.715 -8.576 -1.207 1.00 35.54 C ATOM 886 CZ TYR X 485 0.898 -9.729 -1.941 1.00 72.11 C ATOM 887 OH TYR X 485 -0.178 -10.330 -2.553 1.00 32.54 O ATOM 0 H TYR X 485 6.640 -7.747 0.576 1.00 62.24 H new ATOM 0 HA TYR X 485 5.339 -8.027 -1.878 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.709 -8.560 0.665 1.00 42.42 H new ATOM 0 HB3 TYR X 485 3.903 -7.008 0.558 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.215 -10.114 -1.546 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.649 -7.072 -0.022 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.296 -11.185 -2.641 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.270 -8.144 -1.111 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.990 -9.815 -2.366 1.00 32.54 H new ATOM 896 N ARG X 486 5.413 -4.964 -0.705 1.00 30.20 N ATOM 897 CA ARG X 486 5.161 -3.568 -1.043 1.00 23.23 C ATOM 898 C ARG X 486 6.017 -3.131 -2.228 1.00 23.24 C ATOM 899 O ARG X 486 5.563 -2.378 -3.090 1.00 73.10 O ATOM 900 CB ARG X 486 5.444 -2.670 0.163 1.00 32.34 C ATOM 901 CG ARG X 486 4.202 -2.312 0.962 1.00 43.42 C ATOM 902 CD ARG X 486 3.869 -3.388 1.986 1.00 11.40 C ATOM 903 NE ARG X 486 2.441 -3.431 2.288 1.00 15.11 N ATOM 904 CZ ARG X 486 1.940 -3.973 3.393 1.00 21.53 C ATOM 905 NH1 ARG X 486 2.747 -4.513 4.295 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.629 -3.974 3.597 1.00 1.14 N ATOM 0 H ARG X 486 5.930 -5.101 0.163 1.00 30.20 H new ATOM 0 HA ARG X 486 4.111 -3.472 -1.321 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.156 -3.171 0.819 1.00 32.34 H new ATOM 0 HB3 ARG X 486 5.920 -1.752 -0.182 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.357 -1.360 1.470 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.358 -2.179 0.285 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.189 -4.359 1.609 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.428 -3.202 2.903 1.00 11.40 H new ATOM 0 HE ARG X 486 1.793 -3.023 1.614 1.00 15.11 H new ATOM 0 HH11 ARG X 486 3.755 -4.513 4.142 1.00 34.32 H new ATOM 0 HH12 ARG X 486 2.360 -4.928 5.142 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.005 -3.559 2.905 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.245 -4.390 4.445 1.00 1.14 H new ATOM 917 N ILE X 487 7.257 -3.608 -2.263 1.00 12.05 N ATOM 918 CA ILE X 487 8.175 -3.267 -3.342 1.00 10.12 C ATOM 919 C ILE X 487 7.669 -3.792 -4.681 1.00 62.30 C ATOM 920 O ILE X 487 7.752 -3.107 -5.701 1.00 15.43 O ATOM 921 CB ILE X 487 9.585 -3.832 -3.082 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.176 -3.219 -1.811 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.489 -3.568 -4.276 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.219 -1.707 -1.833 1.00 35.13 C ATOM 0 H ILE X 487 7.648 -4.231 -1.557 1.00 12.05 H new ATOM 0 HA ILE X 487 8.229 -2.179 -3.378 1.00 10.12 H new ATOM 0 HB ILE X 487 9.510 -4.910 -2.941 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.588 -3.545 -0.953 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.187 -3.601 -1.669 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.481 -3.973 -4.078 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.072 -4.048 -5.161 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.563 -2.494 -4.446 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.650 -1.342 -0.901 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.831 -1.373 -2.671 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.208 -1.316 -1.943 1.00 35.13 H new ATOM 935 N LYS X 488 7.141 -5.011 -4.672 1.00 1.41 N ATOM 936 CA LYS X 488 6.617 -5.628 -5.884 1.00 43.53 C ATOM 937 C LYS X 488 5.287 -4.998 -6.284 1.00 53.44 C ATOM 938 O LYS X 488 5.021 -4.783 -7.467 1.00 72.22 O ATOM 939 CB LYS X 488 6.439 -7.134 -5.678 1.00 2.51 C ATOM 940 CG LYS X 488 5.533 -7.486 -4.510 1.00 3.34 C ATOM 941 CD LYS X 488 5.414 -8.989 -4.329 1.00 3.43 C ATOM 942 CE LYS X 488 4.802 -9.651 -5.555 1.00 41.43 C ATOM 943 NZ LYS X 488 4.201 -10.974 -5.230 1.00 22.33 N ATOM 0 H LYS X 488 7.065 -5.592 -3.837 1.00 1.41 H new ATOM 0 HA LYS X 488 7.334 -5.460 -6.687 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.030 -7.571 -6.589 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.417 -7.588 -5.518 1.00 2.51 H new ATOM 0 HG2 LYS X 488 5.925 -7.039 -3.597 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.544 -7.059 -4.674 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.400 -9.413 -4.139 1.00 3.43 H new ATOM 0 HD3 LYS X 488 4.801 -9.204 -3.454 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.037 -8.998 -5.976 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.568 -9.778 -6.319 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 3.795 -11.392 -6.091 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 4.936 -11.606 -4.852 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.452 -10.850 -4.519 1.00 22.33 H new ATOM 953 N LYS X 489 4.454 -4.704 -5.291 1.00 24.34 N ATOM 954 CA LYS X 489 3.153 -4.095 -5.539 1.00 21.32 C ATOM 955 C LYS X 489 3.307 -2.665 -6.045 1.00 63.33 C ATOM 956 O LYS X 489 2.646 -2.260 -7.001 1.00 53.33 O ATOM 957 CB LYS X 489 2.310 -4.106 -4.261 1.00 54.52 C ATOM 958 CG LYS X 489 1.277 -5.218 -4.223 1.00 54.51 C ATOM 959 CD LYS X 489 1.928 -6.589 -4.288 1.00 14.12 C ATOM 960 CE LYS X 489 0.903 -7.683 -4.542 1.00 62.31 C ATOM 961 NZ LYS X 489 1.550 -8.982 -4.878 1.00 3.10 N ATOM 0 H LYS X 489 4.657 -4.878 -4.307 1.00 24.34 H new ATOM 0 HA LYS X 489 2.648 -4.680 -6.307 1.00 21.32 H new ATOM 0 HB2 LYS X 489 2.971 -4.207 -3.400 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.802 -3.146 -4.162 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.688 -5.137 -3.309 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.586 -5.103 -5.058 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.677 -6.600 -5.080 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.451 -6.789 -3.353 1.00 14.12 H new ATOM 0 HE2 LYS X 489 0.277 -7.807 -3.658 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.246 -7.383 -5.358 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 0.851 -9.614 -5.318 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 2.335 -8.818 -5.541 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 1.916 -9.422 -4.010 1.00 3.10 H new ATOM 971 N TYR X 490 4.186 -1.905 -5.400 1.00 63.10 N ATOM 972 CA TYR X 490 4.426 -0.520 -5.785 1.00 65.13 C ATOM 973 C TYR X 490 5.510 -0.434 -6.856 1.00 43.30 C ATOM 974 O TYR X 490 5.821 0.648 -7.354 1.00 45.35 O ATOM 975 CB TYR X 490 4.832 0.308 -4.565 1.00 31.24 C ATOM 976 CG TYR X 490 3.743 0.426 -3.523 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.518 1.004 -3.835 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.938 -0.039 -2.229 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.519 1.115 -2.887 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.943 0.067 -1.275 1.00 30.22 C ATOM 981 CZ TYR X 490 1.737 0.645 -1.608 1.00 51.31 C ATOM 982 OH TYR X 490 0.744 0.754 -0.661 1.00 54.23 O ATOM 0 H TYR X 490 4.744 -2.225 -4.608 1.00 63.10 H new ATOM 0 HA TYR X 490 3.500 -0.118 -6.196 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.713 -0.142 -4.108 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.119 1.307 -4.894 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.344 1.373 -4.835 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.882 -0.491 -1.964 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.573 1.567 -3.146 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.110 -0.301 -0.274 1.00 30.22 H new ATOM 0 HH TYR X 490 0.387 -0.136 -0.457 1.00 54.23 H new ATOM 991 N GLY X 491 6.081 -1.581 -7.205 1.00 12.33 N ATOM 992 CA GLY X 491 7.123 -1.615 -8.215 1.00 73.13 C ATOM 993 C GLY X 491 8.230 -0.618 -7.939 1.00 70.25 C ATOM 994 O GLY X 491 8.686 0.081 -8.845 1.00 25.21 O ATOM 0 H GLY X 491 5.841 -2.489 -6.807 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.546 -2.619 -8.263 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.685 -1.406 -9.191 1.00 73.13 H new ATOM 998 N ILE X 492 8.663 -0.548 -6.684 1.00 33.34 N ATOM 999 CA ILE X 492 9.722 0.373 -6.292 1.00 12.35 C ATOM 1000 C ILE X 492 11.088 -0.142 -6.732 1.00 73.33 C ATOM 1001 O ILE X 492 11.290 -1.347 -6.884 1.00 45.43 O ATOM 1002 CB ILE X 492 9.738 0.596 -4.768 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.316 0.824 -4.250 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.632 1.776 -4.415 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.243 1.010 -2.750 1.00 21.21 C ATOM 0 H ILE X 492 8.296 -1.118 -5.922 1.00 33.34 H new ATOM 0 HA ILE X 492 9.516 1.321 -6.788 1.00 12.35 H new ATOM 0 HB ILE X 492 10.141 -0.296 -4.288 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.897 1.704 -4.738 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.694 -0.025 -4.534 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.633 1.921 -3.335 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.648 1.577 -4.756 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.256 2.676 -4.902 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.206 1.167 -2.453 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.632 0.121 -2.254 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.838 1.876 -2.461 1.00 21.21 H new ATOM 1016 N GLU X 493 12.025 0.779 -6.935 1.00 41.10 N ATOM 1017 CA GLU X 493 13.373 0.418 -7.358 1.00 52.04 C ATOM 1018 C GLU X 493 14.343 0.464 -6.181 1.00 43.33 C ATOM 1019 O GLU X 493 14.034 1.025 -5.128 1.00 63.45 O ATOM 1020 CB GLU X 493 13.854 1.358 -8.465 1.00 63.11 C ATOM 1021 CG GLU X 493 12.962 1.354 -9.697 1.00 11.52 C ATOM 1022 CD GLU X 493 13.083 2.629 -10.508 1.00 74.15 C ATOM 1023 OE1 GLU X 493 12.383 3.610 -10.179 1.00 70.23 O ATOM 1024 OE2 GLU X 493 13.875 2.646 -11.473 1.00 62.13 O ATOM 0 H GLU X 493 11.875 1.781 -6.813 1.00 41.10 H new ATOM 0 HA GLU X 493 13.344 -0.601 -7.744 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.910 2.372 -8.070 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.865 1.074 -8.758 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.221 0.502 -10.326 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.925 1.220 -9.390 1.00 11.52 H new