USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=12 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 Single : X 455 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0844) USER MOD Single : X 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 464 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.484) USER MOD Single : X 465 THR OG1 : rot 19:sc= 0.282 USER MOD Single : X 467 TYR OH : rot 36:sc= 1.18 USER MOD Single : X 469 LYS NZ :NH3+ -114:sc= -0.118 (180deg=-1.4!) 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= -0.29 USER MOD Single : X 482 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.29) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -123:sc= -0.449 (180deg=-2.06!) USER MOD Single : X 489 LYS NZ :NH3+ 161:sc= -0.0396 (180deg=-0.346) USER MOD Single : X 490 TYR OH : rot -29:sc= -1.68 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 1.936 5.223 1.582 1.00 61.44 N ATOM 395 CA GLU X 454 2.585 3.939 1.819 1.00 4.33 C ATOM 396 C GLU X 454 3.814 3.778 0.930 1.00 54.22 C ATOM 397 O GLU X 454 4.897 3.435 1.404 1.00 33.03 O ATOM 398 CB GLU X 454 1.604 2.792 1.565 1.00 4.25 C ATOM 399 CG GLU X 454 2.096 1.447 2.071 1.00 54.45 C ATOM 400 CD GLU X 454 0.977 0.436 2.224 1.00 73.14 C ATOM 401 OE1 GLU X 454 -0.148 0.846 2.579 1.00 25.31 O ATOM 402 OE2 GLU X 454 1.226 -0.766 1.988 1.00 32.21 O ATOM 0 HA GLU X 454 2.905 3.910 2.860 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.653 3.025 2.044 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.412 2.720 0.494 1.00 4.25 H new ATOM 0 HG2 GLU X 454 2.843 1.055 1.381 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.591 1.584 3.033 1.00 54.45 H new ATOM 407 N LYS X 455 3.638 4.027 -0.363 1.00 25.33 N ATOM 408 CA LYS X 455 4.731 3.911 -1.321 1.00 0.54 C ATOM 409 C LYS X 455 5.857 4.882 -0.982 1.00 62.42 C ATOM 410 O LYS X 455 7.030 4.507 -0.959 1.00 21.12 O ATOM 411 CB LYS X 455 4.223 4.177 -2.740 1.00 34.23 C ATOM 412 CG LYS X 455 5.316 4.141 -3.794 1.00 13.52 C ATOM 413 CD LYS X 455 5.541 5.510 -4.412 1.00 51.32 C ATOM 414 CE LYS X 455 6.696 6.241 -3.743 1.00 3.43 C ATOM 415 NZ LYS X 455 7.475 7.057 -4.716 1.00 10.05 N ATOM 0 H LYS X 455 2.748 4.311 -0.772 1.00 25.33 H new ATOM 0 HA LYS X 455 5.123 2.895 -1.266 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.464 3.436 -2.990 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.737 5.152 -2.766 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.244 3.787 -3.345 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.047 3.429 -4.574 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.746 5.400 -5.477 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.632 6.105 -4.322 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.309 6.887 -2.955 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.356 5.517 -3.266 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.130 7.680 -4.201 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.016 6.427 -5.342 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 6.823 7.634 -5.285 1.00 10.05 H new ATOM 425 N LYS X 456 5.495 6.132 -0.717 1.00 23.55 N ATOM 426 CA LYS X 456 6.473 7.158 -0.376 1.00 51.54 C ATOM 427 C LYS X 456 7.236 6.783 0.890 1.00 23.14 C ATOM 428 O LYS X 456 8.429 7.061 1.013 1.00 54.11 O ATOM 429 CB LYS X 456 5.781 8.509 -0.184 1.00 65.35 C ATOM 430 CG LYS X 456 5.434 9.206 -1.489 1.00 12.34 C ATOM 431 CD LYS X 456 4.808 10.568 -1.244 1.00 41.13 C ATOM 432 CE LYS X 456 5.065 11.517 -2.406 1.00 35.30 C ATOM 433 NZ LYS X 456 4.032 11.386 -3.469 1.00 61.51 N ATOM 0 H LYS X 456 4.529 6.460 -0.732 1.00 23.55 H new ATOM 0 HA LYS X 456 7.183 7.234 -1.199 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.868 8.361 0.393 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.429 9.159 0.404 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.335 9.322 -2.092 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.745 8.586 -2.062 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.734 10.455 -1.096 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.213 10.996 -0.327 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.081 12.543 -2.040 1.00 35.30 H new ATOM 0 HE3 LYS X 456 6.049 11.315 -2.829 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 4.243 12.049 -4.242 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.034 10.413 -3.837 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 3.096 11.604 -3.072 1.00 61.51 H new ATOM 443 N ARG X 457 6.542 6.147 1.828 1.00 71.11 N ATOM 444 CA ARG X 457 7.154 5.732 3.083 1.00 35.12 C ATOM 445 C ARG X 457 8.205 4.652 2.845 1.00 55.14 C ATOM 446 O ARG X 457 9.343 4.768 3.302 1.00 20.31 O ATOM 447 CB ARG X 457 6.088 5.216 4.051 1.00 21.50 C ATOM 448 CG ARG X 457 5.477 6.301 4.922 1.00 50.23 C ATOM 449 CD ARG X 457 6.475 6.820 5.945 1.00 12.04 C ATOM 450 NE ARG X 457 5.825 7.589 7.004 1.00 20.01 N ATOM 451 CZ ARG X 457 6.472 8.097 8.047 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.780 7.919 8.171 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.809 8.784 8.969 1.00 51.31 N ATOM 0 H ARG X 457 5.554 5.908 1.742 1.00 71.11 H new ATOM 0 HA ARG X 457 7.643 6.601 3.523 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.296 4.731 3.480 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.531 4.454 4.692 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.136 7.124 4.294 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.600 5.907 5.435 1.00 50.23 H new ATOM 0 HD2 ARG X 457 7.013 5.980 6.385 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.215 7.445 5.445 1.00 12.04 H new ATOM 0 HE ARG X 457 4.819 7.744 6.939 1.00 20.01 H new ATOM 0 HH11 ARG X 457 8.292 7.391 7.464 1.00 71.32 H new ATOM 0 HH12 ARG X 457 8.274 8.310 8.973 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.803 8.922 8.877 1.00 51.31 H new ATOM 0 HH22 ARG X 457 6.306 9.174 9.770 1.00 51.31 H new ATOM 464 N ILE X 458 7.817 3.603 2.129 1.00 20.05 N ATOM 465 CA ILE X 458 8.726 2.504 1.830 1.00 63.42 C ATOM 466 C ILE X 458 9.961 2.998 1.085 1.00 45.00 C ATOM 467 O ILE X 458 11.092 2.770 1.517 1.00 10.42 O ATOM 468 CB ILE X 458 8.035 1.415 0.988 1.00 44.32 C ATOM 469 CG1 ILE X 458 6.836 0.838 1.745 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.023 0.315 0.630 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.220 0.096 3.006 1.00 74.53 C ATOM 0 H ILE X 458 6.879 3.491 1.745 1.00 20.05 H new ATOM 0 HA ILE X 458 9.028 2.077 2.786 1.00 63.42 H new ATOM 0 HB ILE X 458 7.674 1.866 0.064 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.155 1.649 2.003 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.292 0.162 1.086 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.519 -0.447 0.035 1.00 21.14 H new ATOM 0 HG22 ILE X 458 9.847 0.739 0.055 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.412 -0.136 1.543 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.322 -0.286 3.491 1.00 74.53 H new ATOM 0 HD12 ILE X 458 7.877 -0.736 2.753 1.00 74.53 H new ATOM 0 HD13 ILE X 458 7.738 0.774 3.684 1.00 74.53 H new ATOM 482 N ILE X 459 9.738 3.680 -0.033 1.00 30.41 N ATOM 483 CA ILE X 459 10.832 4.210 -0.836 1.00 14.13 C ATOM 484 C ILE X 459 11.698 5.166 -0.023 1.00 54.12 C ATOM 485 O ILE X 459 12.920 5.191 -0.171 1.00 73.32 O ATOM 486 CB ILE X 459 10.311 4.945 -2.085 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.470 5.296 -3.019 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.550 6.199 -1.682 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.105 5.240 -4.486 1.00 14.20 C ATOM 0 H ILE X 459 8.809 3.879 -0.403 1.00 30.41 H new ATOM 0 HA ILE X 459 11.433 3.357 -1.151 1.00 14.13 H new ATOM 0 HB ILE X 459 9.628 4.284 -2.618 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.827 6.298 -2.780 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.296 4.610 -2.832 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.188 6.708 -2.575 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.704 5.924 -1.053 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.213 6.865 -1.129 1.00 60.12 H new ATOM 0 HD11 ILE X 459 11.976 5.501 -5.088 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.776 4.233 -4.741 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.300 5.946 -4.688 1.00 14.20 H new ATOM 500 N GLU X 460 11.057 5.949 0.839 1.00 70.03 N ATOM 501 CA GLU X 460 11.769 6.906 1.677 1.00 55.24 C ATOM 502 C GLU X 460 12.772 6.195 2.582 1.00 12.02 C ATOM 503 O GLU X 460 13.946 6.561 2.633 1.00 12.20 O ATOM 504 CB GLU X 460 10.781 7.709 2.525 1.00 64.30 C ATOM 505 CG GLU X 460 11.447 8.557 3.596 1.00 23.33 C ATOM 506 CD GLU X 460 10.503 9.576 4.205 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.278 9.442 4.005 1.00 74.02 O ATOM 508 OE2 GLU X 460 10.990 10.507 4.879 1.00 44.32 O ATOM 0 H GLU X 460 10.046 5.939 0.975 1.00 70.03 H new ATOM 0 HA GLU X 460 12.314 7.588 1.024 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.197 8.357 1.871 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.081 7.022 3.001 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.830 7.907 4.383 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.304 9.074 3.164 1.00 23.33 H new ATOM 513 N ALA X 461 12.301 5.177 3.294 1.00 23.10 N ATOM 514 CA ALA X 461 13.155 4.414 4.196 1.00 30.24 C ATOM 515 C ALA X 461 14.298 3.749 3.437 1.00 45.21 C ATOM 516 O ALA X 461 15.438 3.729 3.903 1.00 60.24 O ATOM 517 CB ALA X 461 12.337 3.371 4.942 1.00 43.23 C ATOM 0 H ALA X 461 11.332 4.861 3.264 1.00 23.10 H new ATOM 0 HA ALA X 461 13.587 5.105 4.919 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.988 2.809 5.612 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.559 3.866 5.523 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.877 2.689 4.227 1.00 43.23 H new ATOM 523 N LEU X 462 13.987 3.207 2.266 1.00 41.14 N ATOM 524 CA LEU X 462 14.989 2.540 1.441 1.00 32.12 C ATOM 525 C LEU X 462 16.127 3.493 1.089 1.00 23.05 C ATOM 526 O LEU X 462 17.295 3.197 1.339 1.00 51.52 O ATOM 527 CB LEU X 462 14.348 1.998 0.162 1.00 22.31 C ATOM 528 CG LEU X 462 13.714 0.611 0.265 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.849 0.328 -0.954 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.789 -0.456 0.418 1.00 72.43 C ATOM 0 H LEU X 462 13.049 3.216 1.865 1.00 41.14 H new ATOM 0 HA LEU X 462 15.400 1.709 2.014 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.582 2.702 -0.163 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.108 1.971 -0.618 1.00 22.31 H new ATOM 0 HG LEU X 462 13.078 0.587 1.150 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.406 -0.664 -0.863 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.058 1.075 -1.020 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.463 0.370 -1.854 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.320 -1.437 0.490 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.451 -0.433 -0.448 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.367 -0.263 1.322 1.00 72.43 H new ATOM 541 N GLU X 463 15.776 4.637 0.509 1.00 4.01 N ATOM 542 CA GLU X 463 16.768 5.633 0.125 1.00 14.12 C ATOM 543 C GLU X 463 17.569 6.100 1.338 1.00 33.23 C ATOM 544 O GLU X 463 18.776 6.324 1.251 1.00 3.32 O ATOM 545 CB GLU X 463 16.089 6.830 -0.543 1.00 41.55 C ATOM 546 CG GLU X 463 15.108 6.441 -1.637 1.00 22.34 C ATOM 547 CD GLU X 463 15.431 7.089 -2.968 1.00 10.40 C ATOM 548 OE1 GLU X 463 16.375 6.623 -3.641 1.00 21.41 O ATOM 549 OE2 GLU X 463 14.742 8.062 -3.338 1.00 1.41 O ATOM 0 H GLU X 463 14.813 4.896 0.295 1.00 4.01 H new ATOM 0 HA GLU X 463 17.454 5.170 -0.585 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.563 7.409 0.216 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.854 7.481 -0.967 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.112 5.357 -1.754 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.100 6.725 -1.334 1.00 22.34 H new ATOM 554 N LYS X 464 16.886 6.246 2.468 1.00 23.51 N ATOM 555 CA LYS X 464 17.531 6.686 3.701 1.00 44.12 C ATOM 556 C LYS X 464 18.415 5.584 4.275 1.00 71.21 C ATOM 557 O LYS X 464 19.359 5.854 5.019 1.00 34.14 O ATOM 558 CB LYS X 464 16.478 7.100 4.731 1.00 41.33 C ATOM 559 CG LYS X 464 16.153 8.583 4.706 1.00 1.43 C ATOM 560 CD LYS X 464 15.342 8.954 3.475 1.00 74.45 C ATOM 561 CE LYS X 464 15.349 10.457 3.236 1.00 13.32 C ATOM 562 NZ LYS X 464 14.275 10.873 2.291 1.00 54.43 N ATOM 0 H LYS X 464 15.886 6.066 2.556 1.00 23.51 H new ATOM 0 HA LYS X 464 18.159 7.546 3.467 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.564 6.533 4.552 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.830 6.831 5.727 1.00 41.33 H new ATOM 0 HG2 LYS X 464 15.596 8.850 5.604 1.00 1.43 H new ATOM 0 HG3 LYS X 464 17.078 9.160 4.721 1.00 1.43 H new ATOM 0 HD2 LYS X 464 15.749 8.444 2.602 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.315 8.608 3.596 1.00 74.45 H new ATOM 0 HE2 LYS X 464 15.219 10.976 4.185 1.00 13.32 H new ATOM 0 HE3 LYS X 464 16.319 10.757 2.839 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.506 11.805 1.891 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 14.199 10.176 1.523 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 13.369 10.929 2.798 1.00 54.43 H new ATOM 572 N THR X 465 18.106 4.339 3.924 1.00 13.11 N ATOM 573 CA THR X 465 18.872 3.197 4.405 1.00 52.11 C ATOM 574 C THR X 465 19.978 2.825 3.423 1.00 75.51 C ATOM 575 O THR X 465 20.830 1.989 3.721 1.00 65.34 O ATOM 576 CB THR X 465 17.969 1.970 4.632 1.00 42.21 C ATOM 577 OG1 THR X 465 17.155 1.739 3.476 1.00 52.14 O ATOM 578 CG2 THR X 465 17.081 2.171 5.851 1.00 61.42 C ATOM 0 H THR X 465 17.330 4.097 3.308 1.00 13.11 H new ATOM 0 HA THR X 465 19.317 3.492 5.355 1.00 52.11 H new ATOM 0 HB THR X 465 18.607 1.104 4.805 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.549 2.194 2.702 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.452 1.292 5.992 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.703 2.317 6.734 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.451 3.048 5.702 1.00 61.42 H new ATOM 586 N GLY X 466 19.959 3.451 2.251 1.00 31.45 N ATOM 587 CA GLY X 466 20.966 3.173 1.244 1.00 73.12 C ATOM 588 C GLY X 466 20.546 2.067 0.296 1.00 2.02 C ATOM 589 O GLY X 466 21.366 1.241 -0.107 1.00 72.31 O ATOM 0 H GLY X 466 19.264 4.146 1.980 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.166 4.080 0.674 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.898 2.893 1.734 1.00 73.12 H new ATOM 593 N TYR X 467 19.266 2.049 -0.061 1.00 22.12 N ATOM 594 CA TYR X 467 18.739 1.034 -0.965 1.00 42.34 C ATOM 595 C TYR X 467 18.931 -0.364 -0.385 1.00 41.45 C ATOM 596 O TYR X 467 19.302 -1.298 -1.097 1.00 0.12 O ATOM 597 CB TYR X 467 19.422 1.131 -2.330 1.00 12.11 C ATOM 598 CG TYR X 467 19.248 2.475 -3.000 1.00 64.22 C ATOM 599 CD1 TYR X 467 17.990 2.920 -3.392 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.339 3.300 -3.244 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.827 4.147 -4.005 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.183 4.529 -3.855 1.00 24.43 C ATOM 603 CZ TYR X 467 18.926 4.947 -4.234 1.00 42.32 C ATOM 604 OH TYR X 467 18.767 6.171 -4.845 1.00 45.41 O ATOM 0 H TYR X 467 18.575 2.726 0.262 1.00 22.12 H new ATOM 0 HA TYR X 467 17.671 1.213 -1.088 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.486 0.930 -2.209 1.00 12.11 H new ATOM 0 HB3 TYR X 467 19.023 0.355 -2.983 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.127 2.296 -3.214 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.326 2.975 -2.951 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.843 4.478 -4.303 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.042 5.159 -4.035 1.00 24.43 H new ATOM 0 HH TYR X 467 17.927 6.579 -4.547 1.00 45.41 H new ATOM 613 N VAL X 468 18.676 -0.500 0.912 1.00 21.22 N ATOM 614 CA VAL X 468 18.819 -1.783 1.589 1.00 11.54 C ATOM 615 C VAL X 468 17.474 -2.289 2.098 1.00 22.10 C ATOM 616 O VAL X 468 16.787 -1.603 2.856 1.00 25.15 O ATOM 617 CB VAL X 468 19.800 -1.688 2.771 1.00 23.32 C ATOM 618 CG1 VAL X 468 20.019 -3.059 3.396 1.00 2.22 C ATOM 619 CG2 VAL X 468 21.120 -1.082 2.320 1.00 32.52 C ATOM 0 H VAL X 468 18.369 0.263 1.515 1.00 21.22 H new ATOM 0 HA VAL X 468 19.214 -2.485 0.855 1.00 11.54 H new ATOM 0 HB VAL X 468 19.366 -1.035 3.529 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.715 -2.972 4.230 1.00 2.22 H new ATOM 0 HG12 VAL X 468 19.068 -3.450 3.757 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.431 -3.738 2.649 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.802 -1.022 3.168 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.561 -1.707 1.544 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.945 -0.082 1.924 1.00 32.52 H new ATOM 629 N LYS X 469 17.102 -3.493 1.678 1.00 2.33 N ATOM 630 CA LYS X 469 15.839 -4.093 2.091 1.00 73.34 C ATOM 631 C LYS X 469 15.849 -4.406 3.584 1.00 0.52 C ATOM 632 O LYS X 469 14.918 -4.054 4.308 1.00 43.22 O ATOM 633 CB LYS X 469 15.572 -5.372 1.294 1.00 64.33 C ATOM 634 CG LYS X 469 14.099 -5.724 1.183 1.00 65.33 C ATOM 635 CD LYS X 469 13.889 -7.000 0.386 1.00 74.35 C ATOM 636 CE LYS X 469 13.823 -6.720 -1.108 1.00 63.33 C ATOM 637 NZ LYS X 469 15.177 -6.697 -1.728 1.00 50.11 N ATOM 0 H LYS X 469 17.658 -4.074 1.051 1.00 2.33 H new ATOM 0 HA LYS X 469 15.043 -3.376 1.892 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.986 -5.259 0.292 1.00 64.33 H new ATOM 0 HB3 LYS X 469 16.100 -6.201 1.766 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.676 -5.843 2.181 1.00 65.33 H new ATOM 0 HG3 LYS X 469 13.563 -4.904 0.706 1.00 65.33 H new ATOM 0 HD2 LYS X 469 14.702 -7.696 0.591 1.00 74.35 H new ATOM 0 HD3 LYS X 469 12.967 -7.483 0.708 1.00 74.35 H new ATOM 0 HE2 LYS X 469 13.214 -7.482 -1.594 1.00 63.33 H new ATOM 0 HE3 LYS X 469 13.330 -5.763 -1.277 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 15.388 -5.736 -2.066 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 15.887 -6.980 -1.022 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 15.203 -7.359 -2.530 1.00 50.11 H new ATOM 647 N SER X 470 16.909 -5.067 4.039 1.00 71.13 N ATOM 648 CA SER X 470 17.039 -5.428 5.446 1.00 51.22 C ATOM 649 C SER X 470 16.871 -4.204 6.339 1.00 51.22 C ATOM 650 O SER X 470 16.055 -4.201 7.261 1.00 14.32 O ATOM 651 CB SER X 470 18.399 -6.080 5.704 1.00 52.44 C ATOM 652 OG SER X 470 18.410 -7.428 5.268 1.00 5.24 O ATOM 0 H SER X 470 17.690 -5.363 3.454 1.00 71.13 H new ATOM 0 HA SER X 470 16.251 -6.142 5.686 1.00 51.22 H new ATOM 0 HB2 SER X 470 19.178 -5.521 5.186 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.630 -6.037 6.768 1.00 52.44 H new ATOM 0 HG SER X 470 19.291 -7.821 5.443 1.00 5.24 H new ATOM 657 N ARG X 471 17.649 -3.164 6.059 1.00 75.24 N ATOM 658 CA ARG X 471 17.589 -1.932 6.837 1.00 11.02 C ATOM 659 C ARG X 471 16.230 -1.255 6.680 1.00 64.24 C ATOM 660 O ARG X 471 15.594 -0.882 7.664 1.00 23.30 O ATOM 661 CB ARG X 471 18.701 -0.975 6.405 1.00 3.34 C ATOM 662 CG ARG X 471 20.099 -1.491 6.703 1.00 74.42 C ATOM 663 CD ARG X 471 21.155 -0.721 5.924 1.00 11.42 C ATOM 664 NE ARG X 471 22.433 -1.427 5.891 1.00 42.13 N ATOM 665 CZ ARG X 471 23.270 -1.482 6.920 1.00 73.44 C ATOM 666 NH1 ARG X 471 22.966 -0.875 8.060 1.00 54.24 N ATOM 667 NH2 ARG X 471 24.415 -2.145 6.812 1.00 13.40 N ATOM 0 H ARG X 471 18.329 -3.150 5.299 1.00 75.24 H new ATOM 0 HA ARG X 471 17.729 -2.189 7.887 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.612 -0.788 5.335 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.561 -0.018 6.908 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.299 -1.406 7.771 1.00 74.42 H new ATOM 0 HG3 ARG X 471 20.159 -2.550 6.450 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.805 -0.556 4.905 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.295 0.261 6.376 1.00 11.42 H new ATOM 0 HE ARG X 471 22.697 -1.904 5.029 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.087 -0.364 8.147 1.00 54.24 H new ATOM 0 HH12 ARG X 471 23.611 -0.919 8.849 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.653 -2.613 5.937 1.00 13.40 H new ATOM 0 HH22 ARG X 471 25.057 -2.186 7.604 1.00 13.40 H new ATOM 678 N ALA X 472 15.794 -1.102 5.434 1.00 63.50 N ATOM 679 CA ALA X 472 14.511 -0.471 5.147 1.00 51.02 C ATOM 680 C ALA X 472 13.380 -1.159 5.904 1.00 14.44 C ATOM 681 O ALA X 472 12.472 -0.503 6.414 1.00 62.31 O ATOM 682 CB ALA X 472 14.235 -0.492 3.650 1.00 12.21 C ATOM 0 H ALA X 472 16.309 -1.406 4.608 1.00 63.50 H new ATOM 0 HA ALA X 472 14.561 0.565 5.482 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.274 -0.018 3.451 1.00 12.21 H new ATOM 0 HB2 ALA X 472 15.023 0.050 3.127 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.210 -1.524 3.299 1.00 12.21 H new ATOM 688 N ALA X 473 13.441 -2.485 5.973 1.00 33.12 N ATOM 689 CA ALA X 473 12.422 -3.262 6.669 1.00 5.31 C ATOM 690 C ALA X 473 12.470 -3.007 8.172 1.00 1.25 C ATOM 691 O ALA X 473 11.457 -2.677 8.789 1.00 50.13 O ATOM 692 CB ALA X 473 12.598 -4.744 6.376 1.00 61.31 C ATOM 0 H ALA X 473 14.185 -3.044 5.555 1.00 33.12 H new ATOM 0 HA ALA X 473 11.445 -2.945 6.305 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.831 -5.312 6.902 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.506 -4.916 5.304 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.583 -5.067 6.712 1.00 61.31 H new ATOM 698 N LYS X 474 13.653 -3.164 8.756 1.00 62.03 N ATOM 699 CA LYS X 474 13.833 -2.953 10.187 1.00 24.40 C ATOM 700 C LYS X 474 13.491 -1.516 10.572 1.00 54.40 C ATOM 701 O LYS X 474 13.013 -1.256 11.676 1.00 74.45 O ATOM 702 CB LYS X 474 15.274 -3.271 10.593 1.00 34.32 C ATOM 703 CG LYS X 474 16.162 -2.042 10.698 1.00 3.21 C ATOM 704 CD LYS X 474 17.629 -2.423 10.804 1.00 54.32 C ATOM 705 CE LYS X 474 18.518 -1.192 10.896 1.00 20.00 C ATOM 706 NZ LYS X 474 18.576 -0.652 12.284 1.00 3.13 N ATOM 0 H LYS X 474 14.502 -3.437 8.260 1.00 62.03 H new ATOM 0 HA LYS X 474 13.156 -3.624 10.716 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.267 -3.787 11.553 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.704 -3.959 9.865 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.012 -1.408 9.824 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.873 -1.456 11.571 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.781 -3.050 11.683 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.916 -3.016 9.936 1.00 54.32 H new ATOM 0 HE2 LYS X 474 19.524 -1.445 10.562 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.143 -0.422 10.222 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.191 0.186 12.305 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 17.619 -0.387 12.594 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 18.958 -1.378 12.923 1.00 3.13 H new ATOM 716 N LEU X 475 13.738 -0.589 9.654 1.00 10.44 N ATOM 717 CA LEU X 475 13.455 0.822 9.896 1.00 74.31 C ATOM 718 C LEU X 475 11.955 1.093 9.842 1.00 24.12 C ATOM 719 O LEU X 475 11.393 1.718 10.742 1.00 74.13 O ATOM 720 CB LEU X 475 14.179 1.692 8.868 1.00 52.05 C ATOM 721 CG LEU X 475 14.608 3.080 9.346 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.651 3.669 8.409 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.402 4.003 9.452 1.00 53.02 C ATOM 0 H LEU X 475 14.134 -0.788 8.735 1.00 10.44 H new ATOM 0 HA LEU X 475 13.816 1.073 10.893 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.066 1.157 8.529 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.529 1.813 8.002 1.00 52.05 H new ATOM 0 HG LEU X 475 15.054 2.981 10.336 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.944 4.657 8.765 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.525 3.019 8.383 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.232 3.755 7.406 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.725 4.986 9.793 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.928 4.096 8.475 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.688 3.588 10.164 1.00 53.02 H new ATOM 734 N LEU X 476 11.311 0.617 8.782 1.00 14.12 N ATOM 735 CA LEU X 476 9.875 0.805 8.610 1.00 2.33 C ATOM 736 C LEU X 476 9.092 -0.016 9.630 1.00 41.31 C ATOM 737 O LEU X 476 7.924 0.260 9.900 1.00 65.41 O ATOM 738 CB LEU X 476 9.455 0.415 7.193 1.00 21.22 C ATOM 739 CG LEU X 476 9.956 1.324 6.069 1.00 11.11 C ATOM 740 CD1 LEU X 476 10.290 0.507 4.831 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.921 2.390 5.744 1.00 71.10 C ATOM 0 H LEU X 476 11.761 0.098 8.028 1.00 14.12 H new ATOM 0 HA LEU X 476 9.650 1.859 8.771 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.806 -0.598 6.997 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.366 0.388 7.153 1.00 21.22 H new ATOM 0 HG LEU X 476 10.865 1.821 6.407 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.645 1.170 4.042 1.00 15.24 H new ATOM 0 HD12 LEU X 476 11.067 -0.218 5.072 1.00 15.24 H new ATOM 0 HD13 LEU X 476 9.398 -0.018 4.490 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.294 3.027 4.942 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.994 1.912 5.426 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.732 2.995 6.630 1.00 71.10 H new ATOM 752 N GLY X 477 9.745 -1.028 10.193 1.00 45.23 N ATOM 753 CA GLY X 477 9.096 -1.873 11.178 1.00 22.13 C ATOM 754 C GLY X 477 8.458 -3.101 10.558 1.00 61.31 C ATOM 755 O GLY X 477 7.635 -3.766 11.187 1.00 35.21 O ATOM 0 H GLY X 477 10.712 -1.278 9.984 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.828 -2.185 11.924 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.333 -1.296 11.701 1.00 22.13 H new ATOM 759 N TYR X 478 8.837 -3.401 9.320 1.00 41.35 N ATOM 760 CA TYR X 478 8.294 -4.555 8.613 1.00 51.13 C ATOM 761 C TYR X 478 9.382 -5.586 8.336 1.00 65.31 C ATOM 762 O TYR X 478 10.574 -5.278 8.381 1.00 40.51 O ATOM 763 CB TYR X 478 7.645 -4.115 7.300 1.00 71.43 C ATOM 764 CG TYR X 478 6.762 -2.895 7.439 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.888 -2.765 8.512 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.799 -1.875 6.497 1.00 30.21 C ATOM 767 CE1 TYR X 478 5.079 -1.653 8.643 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.994 -0.759 6.621 1.00 51.13 C ATOM 769 CZ TYR X 478 5.136 -0.653 7.695 1.00 63.32 C ATOM 770 OH TYR X 478 4.332 0.456 7.822 1.00 43.33 O ATOM 0 H TYR X 478 9.518 -2.861 8.786 1.00 41.35 H new ATOM 0 HA TYR X 478 7.537 -5.015 9.248 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.427 -3.906 6.570 1.00 71.43 H new ATOM 0 HB3 TYR X 478 7.052 -4.939 6.904 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.841 -3.547 9.256 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.468 -1.956 5.653 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.406 -1.567 9.483 1.00 15.11 H new ATOM 0 HE2 TYR X 478 6.037 0.026 5.881 1.00 51.13 H new ATOM 0 HH TYR X 478 4.495 1.066 7.072 1.00 43.33 H new ATOM 779 N THR X 479 8.965 -6.816 8.047 1.00 31.11 N ATOM 780 CA THR X 479 9.902 -7.894 7.762 1.00 32.34 C ATOM 781 C THR X 479 10.256 -7.937 6.280 1.00 71.23 C ATOM 782 O THR X 479 9.590 -7.314 5.453 1.00 3.54 O ATOM 783 CB THR X 479 9.331 -9.261 8.182 1.00 31.32 C ATOM 784 OG1 THR X 479 10.274 -10.298 7.889 1.00 41.35 O ATOM 785 CG2 THR X 479 8.020 -9.543 7.461 1.00 33.32 C ATOM 0 H THR X 479 7.983 -7.089 8.005 1.00 31.11 H new ATOM 0 HA THR X 479 10.802 -7.692 8.342 1.00 32.34 H new ATOM 0 HB THR X 479 9.141 -9.237 9.255 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.903 -11.164 8.161 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.635 -10.514 7.773 1.00 33.32 H new ATOM 0 HG22 THR X 479 7.295 -8.768 7.709 1.00 33.32 H new ATOM 0 HG23 THR X 479 8.191 -9.549 6.384 1.00 33.32 H new ATOM 793 N LEU X 480 11.309 -8.676 5.949 1.00 51.22 N ATOM 794 CA LEU X 480 11.753 -8.802 4.565 1.00 73.24 C ATOM 795 C LEU X 480 10.588 -9.174 3.652 1.00 73.11 C ATOM 796 O LEU X 480 10.501 -8.704 2.519 1.00 12.40 O ATOM 797 CB LEU X 480 12.858 -9.854 4.456 1.00 54.35 C ATOM 798 CG LEU X 480 13.346 -10.170 3.042 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.770 -9.675 2.846 1.00 10.34 C ATOM 800 CD2 LEU X 480 13.256 -11.665 2.769 1.00 24.30 C ATOM 0 H LEU X 480 11.872 -9.198 6.621 1.00 51.22 H new ATOM 0 HA LEU X 480 12.147 -7.837 4.246 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.711 -9.519 5.047 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.499 -10.778 4.910 1.00 54.35 H new ATOM 0 HG LEU X 480 12.702 -9.652 2.331 1.00 42.31 H new ATOM 0 HD11 LEU X 480 15.100 -9.909 1.834 1.00 10.34 H new ATOM 0 HD12 LEU X 480 14.805 -8.596 2.999 1.00 10.34 H new ATOM 0 HD13 LEU X 480 15.428 -10.165 3.564 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.607 -11.872 1.758 1.00 24.30 H new ATOM 0 HD22 LEU X 480 13.876 -12.204 3.486 1.00 24.30 H new ATOM 0 HD23 LEU X 480 12.221 -11.991 2.867 1.00 24.30 H new ATOM 811 N ARG X 481 9.695 -10.020 4.156 1.00 60.01 N ATOM 812 CA ARG X 481 8.536 -10.454 3.387 1.00 5.23 C ATOM 813 C ARG X 481 7.585 -9.288 3.131 1.00 63.40 C ATOM 814 O ARG X 481 7.185 -9.041 1.993 1.00 34.21 O ATOM 815 CB ARG X 481 7.798 -11.574 4.124 1.00 22.32 C ATOM 816 CG ARG X 481 7.845 -12.911 3.402 1.00 15.42 C ATOM 817 CD ARG X 481 7.024 -13.964 4.130 1.00 33.20 C ATOM 818 NE ARG X 481 5.611 -13.904 3.767 1.00 11.02 N ATOM 819 CZ ARG X 481 4.749 -14.887 4.003 1.00 23.35 C ATOM 820 NH1 ARG X 481 5.155 -16.001 4.597 1.00 64.23 N ATOM 821 NH2 ARG X 481 3.478 -14.758 3.644 1.00 54.34 N ATOM 0 H ARG X 481 9.753 -10.418 5.093 1.00 60.01 H new ATOM 0 HA ARG X 481 8.889 -10.830 2.427 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.232 -11.691 5.117 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.757 -11.282 4.263 1.00 22.32 H new ATOM 0 HG2 ARG X 481 7.468 -12.791 2.386 1.00 15.42 H new ATOM 0 HG3 ARG X 481 8.879 -13.246 3.320 1.00 15.42 H new ATOM 0 HD2 ARG X 481 7.416 -14.954 3.897 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.128 -13.825 5.206 1.00 33.20 H new ATOM 0 HE ARG X 481 5.267 -13.061 3.307 1.00 11.02 H new ATOM 0 HH11 ARG X 481 6.131 -16.105 4.874 1.00 64.23 H new ATOM 0 HH12 ARG X 481 4.491 -16.754 4.777 1.00 64.23 H new ATOM 0 HH21 ARG X 481 3.162 -13.903 3.186 1.00 54.34 H new ATOM 0 HH22 ARG X 481 2.817 -15.514 3.826 1.00 54.34 H new ATOM 832 N GLN X 482 7.230 -8.575 4.195 1.00 43.45 N ATOM 833 CA GLN X 482 6.327 -7.437 4.083 1.00 74.43 C ATOM 834 C GLN X 482 6.906 -6.370 3.159 1.00 15.22 C ATOM 835 O GLN X 482 6.261 -5.954 2.196 1.00 24.12 O ATOM 836 CB GLN X 482 6.055 -6.839 5.466 1.00 61.30 C ATOM 837 CG GLN X 482 5.152 -7.699 6.334 1.00 11.44 C ATOM 838 CD GLN X 482 3.856 -8.069 5.641 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.468 -9.238 5.608 1.00 73.12 O ATOM 840 NE2 GLN X 482 3.177 -7.074 5.082 1.00 62.51 N ATOM 0 H GLN X 482 7.554 -8.765 5.143 1.00 43.45 H new ATOM 0 HA GLN X 482 5.389 -7.790 3.655 1.00 74.43 H new ATOM 0 HB2 GLN X 482 7.004 -6.689 5.981 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.599 -5.856 5.344 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.683 -8.609 6.614 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.926 -7.165 7.257 1.00 11.44 H new ATOM 0 HE21 GLN X 482 3.535 -6.120 5.133 1.00 62.51 H new ATOM 0 HE22 GLN X 482 2.297 -7.263 4.602 1.00 62.51 H new ATOM 847 N LEU X 483 8.123 -5.932 3.460 1.00 30.43 N ATOM 848 CA LEU X 483 8.789 -4.913 2.656 1.00 23.25 C ATOM 849 C LEU X 483 8.839 -5.324 1.188 1.00 43.34 C ATOM 850 O LEU X 483 8.429 -4.567 0.307 1.00 12.42 O ATOM 851 CB LEU X 483 10.207 -4.671 3.177 1.00 32.11 C ATOM 852 CG LEU X 483 10.928 -3.446 2.614 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.249 -2.167 3.077 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.393 -3.453 3.027 1.00 65.25 C ATOM 0 H LEU X 483 8.669 -6.266 4.254 1.00 30.43 H new ATOM 0 HA LEU X 483 8.215 -3.990 2.737 1.00 23.25 H new ATOM 0 HB2 LEU X 483 10.163 -4.575 4.262 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.808 -5.554 2.959 1.00 32.11 H new ATOM 0 HG LEU X 483 10.877 -3.487 1.526 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.776 -1.306 2.666 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.215 -2.158 2.731 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.268 -2.119 4.166 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.891 -2.574 2.617 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.465 -3.437 4.115 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.874 -4.353 2.645 1.00 65.25 H new ATOM 865 N ASP X 484 9.339 -6.528 0.933 1.00 4.40 N ATOM 866 CA ASP X 484 9.439 -7.041 -0.429 1.00 74.33 C ATOM 867 C ASP X 484 8.092 -6.959 -1.141 1.00 23.13 C ATOM 868 O ASP X 484 8.013 -6.537 -2.295 1.00 2.41 O ATOM 869 CB ASP X 484 9.935 -8.488 -0.416 1.00 53.22 C ATOM 870 CG ASP X 484 10.146 -9.040 -1.813 1.00 43.05 C ATOM 871 OD1 ASP X 484 11.237 -8.822 -2.379 1.00 13.14 O ATOM 872 OD2 ASP X 484 9.219 -9.691 -2.338 1.00 12.45 O ATOM 0 H ASP X 484 9.681 -7.167 1.651 1.00 4.40 H new ATOM 0 HA ASP X 484 10.155 -6.424 -0.972 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.872 -8.543 0.139 1.00 53.22 H new ATOM 0 HB3 ASP X 484 9.214 -9.111 0.113 1.00 53.22 H new ATOM 876 N TYR X 485 7.036 -7.365 -0.446 1.00 62.24 N ATOM 877 CA TYR X 485 5.693 -7.342 -1.012 1.00 54.52 C ATOM 878 C TYR X 485 5.292 -5.922 -1.402 1.00 35.33 C ATOM 879 O TYR X 485 4.629 -5.710 -2.417 1.00 43.32 O ATOM 880 CB TYR X 485 4.685 -7.913 -0.013 1.00 42.42 C ATOM 881 CG TYR X 485 3.581 -8.719 -0.660 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.856 -9.917 -1.306 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.263 -8.281 -0.624 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.851 -10.656 -1.898 1.00 52.30 C ATOM 885 CE2 TYR X 485 1.251 -9.014 -1.213 1.00 35.54 C ATOM 886 CZ TYR X 485 1.549 -10.200 -1.850 1.00 72.11 C ATOM 887 OH TYR X 485 0.545 -10.934 -2.438 1.00 32.54 O ATOM 0 H TYR X 485 7.084 -7.714 0.511 1.00 62.24 H new ATOM 0 HA TYR X 485 5.693 -7.960 -1.910 1.00 54.52 H new ATOM 0 HB2 TYR X 485 5.213 -8.544 0.702 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.242 -7.093 0.552 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.873 -10.277 -1.346 1.00 11.33 H new ATOM 0 HD2 TYR X 485 2.026 -7.352 -0.127 1.00 34.51 H new ATOM 0 HE1 TYR X 485 3.082 -11.586 -2.396 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.231 -8.660 -1.175 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.312 -10.475 -2.313 1.00 32.54 H new ATOM 896 N ARG X 486 5.698 -4.955 -0.586 1.00 30.20 N ATOM 897 CA ARG X 486 5.381 -3.555 -0.844 1.00 23.23 C ATOM 898 C ARG X 486 6.153 -3.037 -2.054 1.00 23.24 C ATOM 899 O ARG X 486 5.629 -2.259 -2.851 1.00 73.10 O ATOM 900 CB ARG X 486 5.703 -2.703 0.384 1.00 32.34 C ATOM 901 CG ARG X 486 4.496 -2.421 1.264 1.00 43.42 C ATOM 902 CD ARG X 486 3.801 -3.707 1.683 1.00 11.40 C ATOM 903 NE ARG X 486 2.696 -4.048 0.791 1.00 15.11 N ATOM 904 CZ ARG X 486 1.769 -4.953 1.083 1.00 21.53 C ATOM 905 NH1 ARG X 486 1.814 -5.605 2.236 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.794 -5.207 0.220 1.00 1.14 N ATOM 0 H ARG X 486 6.247 -5.115 0.259 1.00 30.20 H new ATOM 0 HA ARG X 486 4.315 -3.483 -1.058 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.464 -3.209 0.977 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.132 -1.756 0.056 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.811 -1.871 2.151 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.793 -1.784 0.727 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.524 -4.523 1.693 1.00 11.40 H new ATOM 0 HD3 ARG X 486 3.426 -3.601 2.701 1.00 11.40 H new ATOM 0 HE ARG X 486 2.633 -3.565 -0.105 1.00 15.11 H new ATOM 0 HH11 ARG X 486 2.562 -5.412 2.902 1.00 34.32 H new ATOM 0 HH12 ARG X 486 1.101 -6.300 2.457 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.756 -4.707 -0.668 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.082 -5.902 0.445 1.00 1.14 H new ATOM 917 N ILE X 487 7.402 -3.472 -2.183 1.00 12.05 N ATOM 918 CA ILE X 487 8.246 -3.053 -3.295 1.00 10.12 C ATOM 919 C ILE X 487 7.698 -3.562 -4.624 1.00 62.30 C ATOM 920 O ILE X 487 7.701 -2.845 -5.625 1.00 15.43 O ATOM 921 CB ILE X 487 9.693 -3.552 -3.124 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.302 -2.987 -1.839 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.533 -3.164 -4.330 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.259 -1.477 -1.763 1.00 35.13 C ATOM 0 H ILE X 487 7.852 -4.115 -1.531 1.00 12.05 H new ATOM 0 HA ILE X 487 8.245 -1.963 -3.298 1.00 10.12 H new ATOM 0 HB ILE X 487 9.680 -4.639 -3.050 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.771 -3.401 -0.982 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.338 -3.317 -1.762 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.553 -3.524 -4.194 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.108 -3.611 -5.229 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.542 -2.079 -4.433 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.707 -1.147 -0.826 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.815 -1.055 -2.600 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.223 -1.140 -1.808 1.00 35.13 H new ATOM 935 N LYS X 488 7.228 -4.805 -4.625 1.00 1.41 N ATOM 936 CA LYS X 488 6.672 -5.411 -5.830 1.00 43.53 C ATOM 937 C LYS X 488 5.293 -4.838 -6.141 1.00 53.44 C ATOM 938 O LYS X 488 4.944 -4.630 -7.302 1.00 72.22 O ATOM 939 CB LYS X 488 6.582 -6.930 -5.666 1.00 2.51 C ATOM 940 CG LYS X 488 5.727 -7.364 -4.487 1.00 3.34 C ATOM 941 CD LYS X 488 5.655 -8.877 -4.379 1.00 3.43 C ATOM 942 CE LYS X 488 4.831 -9.478 -5.507 1.00 41.43 C ATOM 943 NZ LYS X 488 5.670 -9.804 -6.693 1.00 22.33 N ATOM 0 H LYS X 488 7.221 -5.412 -3.806 1.00 1.41 H new ATOM 0 HA LYS X 488 7.336 -5.181 -6.663 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.173 -7.362 -6.579 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.587 -7.334 -5.544 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.139 -6.952 -3.566 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.721 -6.958 -4.596 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.662 -9.293 -4.402 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.217 -9.154 -3.420 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.335 -10.382 -5.153 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.048 -8.778 -5.798 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 5.298 -9.308 -7.528 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 6.650 -9.502 -6.519 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 5.649 -10.830 -6.862 1.00 22.33 H new ATOM 953 N LYS X 489 4.513 -4.586 -5.096 1.00 24.34 N ATOM 954 CA LYS X 489 3.172 -4.036 -5.256 1.00 21.32 C ATOM 955 C LYS X 489 3.231 -2.598 -5.761 1.00 63.33 C ATOM 956 O LYS X 489 2.495 -2.219 -6.672 1.00 53.33 O ATOM 957 CB LYS X 489 2.414 -4.090 -3.928 1.00 54.52 C ATOM 958 CG LYS X 489 1.428 -5.241 -3.837 1.00 54.51 C ATOM 959 CD LYS X 489 2.125 -6.585 -3.963 1.00 14.12 C ATOM 960 CE LYS X 489 1.126 -7.717 -4.149 1.00 62.31 C ATOM 961 NZ LYS X 489 0.403 -7.611 -5.447 1.00 3.10 N ATOM 0 H LYS X 489 4.787 -4.754 -4.128 1.00 24.34 H new ATOM 0 HA LYS X 489 2.644 -4.641 -5.993 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.132 -4.173 -3.112 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.878 -3.151 -3.787 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.898 -5.193 -2.886 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.680 -5.143 -4.624 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.812 -6.562 -4.809 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.724 -6.770 -3.071 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.647 -8.673 -4.101 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.406 -7.705 -3.330 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.015 -8.532 -5.688 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.351 -6.899 -5.367 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 1.069 -7.327 -6.193 1.00 3.10 H new ATOM 971 N TYR X 490 4.113 -1.802 -5.165 1.00 63.10 N ATOM 972 CA TYR X 490 4.267 -0.406 -5.554 1.00 65.13 C ATOM 973 C TYR X 490 5.327 -0.257 -6.641 1.00 43.30 C ATOM 974 O TYR X 490 5.605 0.847 -7.106 1.00 45.35 O ATOM 975 CB TYR X 490 4.642 0.446 -4.340 1.00 31.24 C ATOM 976 CG TYR X 490 3.536 0.560 -3.316 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.338 1.193 -3.625 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.688 0.034 -2.038 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.325 1.299 -2.691 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.680 0.135 -1.099 1.00 30.22 C ATOM 981 CZ TYR X 490 1.501 0.769 -1.430 1.00 51.31 C ATOM 982 OH TYR X 490 0.493 0.873 -0.498 1.00 54.23 O ATOM 0 H TYR X 490 4.732 -2.100 -4.411 1.00 63.10 H new ATOM 0 HA TYR X 490 3.313 -0.059 -5.952 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.524 0.017 -3.864 1.00 31.24 H new ATOM 0 HB3 TYR X 490 4.917 1.445 -4.679 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.196 1.609 -4.612 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.610 -0.462 -1.775 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.400 1.794 -2.947 1.00 71.23 H new ATOM 0 HE2 TYR X 490 2.815 -0.280 -0.111 1.00 30.22 H new ATOM 0 HH TYR X 490 -0.033 1.681 -0.674 1.00 54.23 H new ATOM 991 N GLY X 491 5.916 -1.379 -7.041 1.00 12.33 N ATOM 992 CA GLY X 491 6.940 -1.354 -8.070 1.00 73.13 C ATOM 993 C GLY X 491 8.034 -0.346 -7.776 1.00 70.25 C ATOM 994 O GLY X 491 8.462 0.390 -8.664 1.00 25.21 O ATOM 0 H GLY X 491 5.703 -2.305 -6.671 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.381 -2.347 -8.164 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.481 -1.117 -9.030 1.00 73.13 H new ATOM 998 N ILE X 492 8.484 -0.313 -6.526 1.00 33.34 N ATOM 999 CA ILE X 492 9.533 0.612 -6.118 1.00 12.35 C ATOM 1000 C ILE X 492 10.900 0.144 -6.606 1.00 73.33 C ATOM 1001 O ILE X 492 11.122 -1.049 -6.804 1.00 45.43 O ATOM 1002 CB ILE X 492 9.575 0.776 -4.587 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.162 0.971 -4.034 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.467 1.947 -4.204 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.115 1.086 -2.526 1.00 21.21 C ATOM 0 H ILE X 492 8.139 -0.916 -5.779 1.00 33.34 H new ATOM 0 HA ILE X 492 9.298 1.575 -6.572 1.00 12.35 H new ATOM 0 HB ILE X 492 9.993 -0.131 -4.150 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.729 1.870 -4.473 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.539 0.133 -4.346 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.486 2.050 -3.119 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.478 1.769 -4.570 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.076 2.862 -4.648 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.083 1.223 -2.204 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.518 0.177 -2.079 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.711 1.941 -2.208 1.00 21.21 H new ATOM 1016 N GLU X 493 11.811 1.093 -6.796 1.00 41.10 N ATOM 1017 CA GLU X 493 13.157 0.777 -7.260 1.00 52.04 C ATOM 1018 C GLU X 493 14.143 0.752 -6.095 1.00 43.33 C ATOM 1019 O GLU X 493 13.846 1.245 -5.006 1.00 63.45 O ATOM 1020 CB GLU X 493 13.613 1.795 -8.306 1.00 63.11 C ATOM 1021 CG GLU X 493 12.682 1.895 -9.504 1.00 11.52 C ATOM 1022 CD GLU X 493 12.812 3.218 -10.234 1.00 74.15 C ATOM 1023 OE1 GLU X 493 13.800 3.940 -9.985 1.00 62.13 O ATOM 1024 OE2 GLU X 493 11.923 3.531 -11.054 1.00 70.23 O ATOM 0 H GLU X 493 11.642 2.086 -6.636 1.00 41.10 H new ATOM 0 HA GLU X 493 13.133 -0.213 -7.714 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.693 2.775 -7.836 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.610 1.525 -8.653 1.00 63.11 H new ATOM 0 HG2 GLU X 493 12.897 1.080 -10.195 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.652 1.768 -9.171 1.00 11.52 H new