USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1058 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: B 581 GLN : amide:sc= -1.46! K(o=-7.3!,f=-6.7) USER MOD Set 1.2: B 626 GLN : amide:sc= 0 X(o=-7.3,f=-7.3) USER MOD Set 1.3: B 629 GLN : amide:sc= -5.82! C(o=-7.3!,f=-10!) USER MOD Set 2.1: B 590 LYS NZ :NH3+ 149:sc= -1.97! (180deg=-3.84!) USER MOD Set 2.2: B 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 545 MET CE :methyl 172:sc= -1.45 (180deg=-1.43) USER MOD Set 3.2: B 568 LYS NZ :NH3+ 153:sc= -0.019 (180deg=0) USER MOD Set 4.1: B 505 SER OG : rot -41:sc= 0.716 USER MOD Set 4.2: B 550 GLN : amide:sc= 0 K(o=0.72,f=-0.021) USER MOD Single : B 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 514 LYS NZ :NH3+ -134:sc= -1.02 (180deg=-3.35!) USER MOD Single : B 519 THR OG1 : rot -14:sc= 1.02 USER MOD Single : B 522 LYS NZ :NH3+ 166:sc= -0.0458 (180deg=-0.248) USER MOD Single : B 528 CYS SG : rot 180:sc= -0.34 USER MOD Single : B 530 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 531 LYS NZ :NH3+ -162:sc= -0.078 (180deg=-0.464) USER MOD Single : B 534 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : B 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 542 SER OG : rot -33:sc= 1.25 USER MOD Single : B 543 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 HIS : no HE2:sc= -1.86! C(o=-1.9!,f=-4!) USER MOD Single : B 560 LYS NZ :NH3+ 136:sc= -1.18 (180deg=-3.59!) USER MOD Single : B 563 LYS NZ :NH3+ 149:sc= -2.8 (180deg=-4.43!) USER MOD Single : B 564 THR OG1 : rot 102:sc= 1.29 USER MOD Single : B 567 ASN : amide:sc= -0.789 K(o=-0.79,f=0) USER MOD Single : B 573 MET CE :methyl -152:sc= -0.946 (180deg=-4.52!) USER MOD Single : B 574 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2.9) USER MOD Single : B 576 THR OG1 : rot -20:sc= 0.248 USER MOD Single : B 577 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1.6) USER MOD Single : B 583 MET CE :methyl -118:sc= -0.877 (180deg=-2.62!) USER MOD Single : B 585 CYS SG : rot 144:sc= 0.156 USER MOD Single : B 587 THR OG1 : rot 76:sc= 0.44 USER MOD Single : B 593 GLN : amide:sc= 0.249 K(o=0.25,f=-4.6!) USER MOD Single : B 595 CYS SG : rot 180:sc= 0 USER MOD Single : B 598 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-3.8!) USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 603 GLN : amide:sc= -4.95! K(o=-4.9!,f=-2.2) USER MOD Single : B 608 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 616 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 617 ASN : amide:sc= -2.25! K(o=-2.3!,f=-0.35) USER MOD Single : B 619 ASN : amide:sc= -2.06 K(o=-2.1,f=-2.9) USER MOD Single : B 620 THR OG1 : rot -14:sc= 0.0423 USER MOD Single : B 623 CYS SG : rot -108:sc= 0.0412 USER MOD Single : B 628 GLN : amide:sc= -3.07! K(o=-3.1!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 382 N ILE B 504 6.402 10.439 -13.691 1.00 0.00 N ATOM 383 CA ILE B 504 7.761 10.964 -13.586 1.00 0.00 C ATOM 384 C ILE B 504 8.642 10.156 -12.644 1.00 0.00 C ATOM 385 O ILE B 504 9.749 10.579 -12.299 1.00 0.00 O ATOM 386 CB ILE B 504 7.766 12.440 -13.126 1.00 0.03 C ATOM 387 CG1 ILE B 504 7.175 12.580 -11.711 1.00 1.30 C ATOM 388 CG2 ILE B 504 7.012 13.310 -14.123 1.00 1.33 C ATOM 389 CD1 ILE B 504 5.661 12.493 -11.648 1.00 2.13 C ATOM 0 HA ILE B 504 8.176 10.887 -14.591 1.00 0.00 H new ATOM 0 HB ILE B 504 8.800 12.783 -13.087 1.00 0.03 H new ATOM 0 HG12 ILE B 504 7.597 11.801 -11.076 1.00 1.30 H new ATOM 0 HG13 ILE B 504 7.489 13.537 -11.293 1.00 1.30 H new ATOM 0 HG21 ILE B 504 7.025 14.346 -13.784 1.00 1.33 H new ATOM 0 HG22 ILE B 504 7.490 13.242 -15.100 1.00 1.33 H new ATOM 0 HG23 ILE B 504 5.981 12.966 -14.199 1.00 1.33 H new ATOM 0 HD11 ILE B 504 5.333 12.602 -10.614 1.00 2.13 H new ATOM 0 HD12 ILE B 504 5.225 13.289 -12.253 1.00 2.13 H new ATOM 0 HD13 ILE B 504 5.336 11.526 -12.032 1.00 2.13 H new ATOM 403 N SER B 505 8.155 8.985 -12.248 1.00 0.00 N ATOM 404 CA SER B 505 8.934 8.045 -11.436 1.00 0.00 C ATOM 405 C SER B 505 10.341 7.806 -12.001 1.00 0.00 C ATOM 406 O SER B 505 10.503 7.337 -13.130 1.00 0.00 O ATOM 407 CB SER B 505 8.191 6.715 -11.314 1.00 0.00 C ATOM 408 OG SER B 505 6.987 6.872 -10.584 1.00 1.29 O ATOM 0 H SER B 505 7.216 8.658 -12.477 1.00 0.00 H new ATOM 0 HA SER B 505 9.052 8.495 -10.450 1.00 0.00 H new ATOM 0 HB2 SER B 505 7.970 6.325 -12.308 1.00 0.00 H new ATOM 0 HB3 SER B 505 8.828 5.982 -10.819 1.00 0.00 H new ATOM 0 HG SER B 505 7.140 7.474 -9.826 1.00 1.29 H new ATOM 414 N GLY B 506 11.358 8.140 -11.217 1.00 0.00 N ATOM 415 CA GLY B 506 12.728 7.975 -11.662 1.00 0.00 C ATOM 416 C GLY B 506 13.332 9.211 -12.323 1.00 0.00 C ATOM 417 O GLY B 506 14.478 9.167 -12.766 1.00 0.00 O ATOM 0 H GLY B 506 11.258 8.524 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY B 506 13.344 7.699 -10.806 1.00 0.00 H new ATOM 0 HA3 GLY B 506 12.770 7.144 -12.367 1.00 0.00 H new ATOM 421 N ALA B 507 12.573 10.303 -12.397 1.00 0.00 N ATOM 422 CA ALA B 507 13.104 11.546 -12.957 1.00 0.00 C ATOM 423 C ALA B 507 13.664 12.492 -11.869 1.00 0.00 C ATOM 424 O ALA B 507 14.277 13.522 -12.175 1.00 0.00 O ATOM 425 CB ALA B 507 12.027 12.256 -13.762 1.00 0.02 C ATOM 0 H ALA B 507 11.604 10.354 -12.082 1.00 0.00 H new ATOM 0 HA ALA B 507 13.935 11.278 -13.609 1.00 0.00 H new ATOM 0 HB1 ALA B 507 12.431 13.180 -14.175 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.695 11.610 -14.575 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.182 12.487 -13.114 1.00 0.02 H new ATOM 431 N MET B 508 13.446 12.127 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.016 12.841 -9.465 1.00 0.00 C ATOM 433 C MET B 508 15.054 12.004 -8.718 1.00 0.00 C ATOM 434 O MET B 508 15.078 10.780 -8.820 1.00 0.00 O ATOM 435 CB MET B 508 12.903 13.255 -8.500 1.00 0.01 C ATOM 436 CG MET B 508 11.945 14.284 -9.077 1.00 0.47 C ATOM 437 SD MET B 508 12.724 15.889 -9.345 1.00 1.65 S ATOM 438 CE MET B 508 11.323 16.856 -9.901 1.00 2.21 C ATOM 0 H MET B 508 12.869 11.327 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.521 13.724 -9.856 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.338 12.369 -8.209 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.352 13.659 -7.593 1.00 0.01 H new ATOM 0 HG2 MET B 508 11.549 13.915 -10.023 1.00 0.47 H new ATOM 0 HG3 MET B 508 11.098 14.404 -8.402 1.00 0.47 H new ATOM 0 HE1 MET B 508 11.645 17.877 -10.108 1.00 2.21 H new ATOM 0 HE2 MET B 508 10.913 16.414 -10.809 1.00 2.21 H new ATOM 0 HE3 MET B 508 10.558 16.867 -9.125 1.00 2.21 H new ATOM 448 N HIS B 509 15.907 12.683 -7.950 1.00 0.00 N ATOM 449 CA HIS B 509 16.893 12.034 -7.079 1.00 0.00 C ATOM 450 C HIS B 509 16.163 11.350 -5.921 1.00 0.00 C ATOM 451 O HIS B 509 15.268 11.946 -5.317 1.00 0.00 O ATOM 452 CB HIS B 509 17.902 13.051 -6.544 1.00 0.00 C ATOM 453 CG HIS B 509 18.715 13.709 -7.617 1.00 1.05 C ATOM 454 ND1 HIS B 509 19.988 13.298 -7.956 1.00 2.01 N ATOM 455 CD2 HIS B 509 18.433 14.756 -8.427 1.00 1.87 C ATOM 456 CE1 HIS B 509 20.452 14.063 -8.927 1.00 2.67 C ATOM 457 NE2 HIS B 509 19.528 14.956 -9.231 1.00 2.55 N ATOM 0 H HIS B 509 15.935 13.702 -7.913 1.00 0.00 H new ATOM 0 HA HIS B 509 17.444 11.291 -7.656 1.00 0.00 H new ATOM 0 HB2 HIS B 509 17.369 13.818 -5.981 1.00 0.00 H new ATOM 0 HB3 HIS B 509 18.573 12.552 -5.845 1.00 0.00 H new ATOM 0 HD2 HIS B 509 17.517 15.328 -8.439 1.00 1.87 H new ATOM 0 HE1 HIS B 509 21.422 13.974 -9.393 1.00 2.67 H new ATOM 0 HE2 HIS B 509 19.614 15.677 -9.947 1.00 2.55 H new ATOM 466 N GLU B 510 16.541 10.105 -5.621 1.00 0.00 N ATOM 467 CA GLU B 510 15.835 9.284 -4.638 1.00 0.00 C ATOM 468 C GLU B 510 15.424 10.057 -3.386 1.00 0.00 C ATOM 469 O GLU B 510 14.347 9.832 -2.816 1.00 0.00 O ATOM 470 CB GLU B 510 16.699 8.084 -4.240 1.00 0.01 C ATOM 471 CG GLU B 510 17.973 8.458 -3.497 1.00 1.38 C ATOM 472 CD GLU B 510 18.954 9.230 -4.360 1.00 2.04 C ATOM 473 OE1 GLU B 510 19.749 8.587 -5.077 1.00 2.52 O ATOM 474 OE2 GLU B 510 18.926 10.478 -4.319 1.00 2.66 O ATOM 0 H GLU B 510 17.341 9.641 -6.051 1.00 0.00 H new ATOM 0 HA GLU B 510 14.916 8.949 -5.119 1.00 0.00 H new ATOM 0 HB2 GLU B 510 16.108 7.416 -3.614 1.00 0.01 H new ATOM 0 HB3 GLU B 510 16.965 7.527 -5.138 1.00 0.01 H new ATOM 0 HG2 GLU B 510 17.716 9.057 -2.623 1.00 1.38 H new ATOM 0 HG3 GLU B 510 18.454 7.551 -3.131 1.00 1.38 H new ATOM 481 N GLU B 511 16.274 10.994 -2.988 1.00 0.00 N ATOM 482 CA GLU B 511 16.077 11.778 -1.770 1.00 0.00 C ATOM 483 C GLU B 511 14.973 12.820 -1.930 1.00 0.00 C ATOM 484 O GLU B 511 14.160 13.019 -1.025 1.00 0.00 O ATOM 485 CB GLU B 511 17.382 12.467 -1.369 1.00 0.01 C ATOM 486 CG GLU B 511 18.509 11.498 -1.050 1.00 1.31 C ATOM 487 CD GLU B 511 18.179 10.581 0.111 1.00 1.88 C ATOM 488 OE1 GLU B 511 18.469 10.956 1.267 1.00 2.44 O ATOM 489 OE2 GLU B 511 17.628 9.487 -0.135 1.00 2.41 O ATOM 0 H GLU B 511 17.123 11.235 -3.500 1.00 0.00 H new ATOM 0 HA GLU B 511 15.770 11.086 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU B 511 17.699 13.126 -2.178 1.00 0.01 H new ATOM 0 HB3 GLU B 511 17.198 13.097 -0.498 1.00 0.01 H new ATOM 0 HG2 GLU B 511 18.727 10.897 -1.933 1.00 1.31 H new ATOM 0 HG3 GLU B 511 19.413 12.061 -0.818 1.00 1.31 H new ATOM 496 N ASP B 512 14.947 13.487 -3.079 1.00 0.00 N ATOM 497 CA ASP B 512 13.830 14.365 -3.417 1.00 0.00 C ATOM 498 C ASP B 512 12.544 13.569 -3.576 1.00 0.00 C ATOM 499 O ASP B 512 11.475 13.995 -3.146 1.00 0.00 O ATOM 500 CB ASP B 512 14.128 15.138 -4.702 1.00 0.00 C ATOM 501 CG ASP B 512 15.327 16.056 -4.560 1.00 1.11 C ATOM 502 OD1 ASP B 512 15.150 17.194 -4.076 1.00 1.03 O ATOM 503 OD2 ASP B 512 16.443 15.638 -4.933 1.00 2.08 O ATOM 0 H ASP B 512 15.679 13.438 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 512 13.699 15.074 -2.600 1.00 0.00 H new ATOM 0 HB2 ASP B 512 14.308 14.433 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP B 512 13.254 15.727 -4.979 1.00 0.00 H new ATOM 508 N GLU B 513 12.672 12.403 -4.198 1.00 0.00 N ATOM 509 CA GLU B 513 11.566 11.494 -4.387 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.180 -3.058 1.00 0.00 C ATOM 511 O GLU B 513 9.657 11.244 -2.951 1.00 0.00 O ATOM 512 CB GLU B 513 12.047 10.199 -5.044 1.00 0.01 C ATOM 513 CG GLU B 513 10.925 9.222 -5.357 1.00 1.13 C ATOM 514 CD GLU B 513 11.426 7.938 -5.988 1.00 1.38 C ATOM 515 OE1 GLU B 513 11.615 7.917 -7.222 1.00 1.92 O ATOM 516 OE2 GLU B 513 11.633 6.953 -5.249 1.00 1.88 O ATOM 0 H GLU B 513 13.554 12.067 -4.585 1.00 0.00 H new ATOM 0 HA GLU B 513 10.842 11.979 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.573 10.443 -5.967 1.00 0.01 H new ATOM 0 HB3 GLU B 513 12.767 9.713 -4.386 1.00 0.01 H new ATOM 0 HG2 GLU B 513 10.388 8.985 -4.438 1.00 1.13 H new ATOM 0 HG3 GLU B 513 10.211 9.698 -6.029 1.00 1.13 H new ATOM 523 N LYS B 514 11.665 10.835 -2.052 1.00 0.00 N ATOM 524 CA LYS B 514 11.135 10.514 -0.728 1.00 0.00 C ATOM 525 C LYS B 514 10.272 11.633 -0.178 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.408 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.277 10.224 0.245 1.00 0.03 C ATOM 528 CG LYS B 514 13.016 8.930 -0.047 1.00 1.17 C ATOM 529 CD LYS B 514 14.275 8.798 0.798 1.00 1.23 C ATOM 530 CE LYS B 514 13.951 8.560 2.267 1.00 2.02 C ATOM 531 NZ LYS B 514 13.566 9.817 2.969 1.00 2.73 N ATOM 0 H LYS B 514 12.680 10.769 -2.124 1.00 0.00 H new ATOM 0 HA LYS B 514 10.510 9.627 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS B 514 12.986 11.051 0.216 1.00 0.03 H new ATOM 0 HB3 LYS B 514 11.877 10.183 1.258 1.00 0.03 H new ATOM 0 HG2 LYS B 514 12.357 8.083 0.146 1.00 1.17 H new ATOM 0 HG3 LYS B 514 13.281 8.893 -1.104 1.00 1.17 H new ATOM 0 HD2 LYS B 514 14.880 7.973 0.421 1.00 1.23 H new ATOM 0 HD3 LYS B 514 14.874 9.703 0.700 1.00 1.23 H new ATOM 0 HE2 LYS B 514 13.138 7.838 2.346 1.00 2.02 H new ATOM 0 HE3 LYS B 514 14.817 8.120 2.762 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 14.067 9.874 3.878 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 13.822 10.636 2.381 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 12.540 9.820 3.139 1.00 2.73 H new ATOM 545 N ARG B 515 10.864 12.826 -0.071 1.00 0.00 N ATOM 546 CA ARG B 515 10.194 14.011 0.492 1.00 0.00 C ATOM 547 C ARG B 515 8.922 14.318 -0.249 1.00 0.00 C ATOM 548 O ARG B 515 7.935 14.767 0.328 1.00 0.00 O ATOM 549 CB ARG B 515 11.132 15.220 0.455 1.00 0.02 C ATOM 550 CG ARG B 515 12.412 15.015 1.252 1.00 1.32 C ATOM 551 CD ARG B 515 13.309 16.240 1.196 1.00 1.65 C ATOM 552 NE ARG B 515 12.675 17.409 1.797 1.00 2.20 N ATOM 553 CZ ARG B 515 13.284 18.580 1.957 1.00 2.85 C ATOM 554 NH1 ARG B 515 14.542 18.737 1.566 1.00 3.02 N ATOM 555 NH2 ARG B 515 12.636 19.594 2.510 1.00 3.75 N ATOM 0 H ARG B 515 11.823 13.002 -0.372 1.00 0.00 H new ATOM 0 HA ARG B 515 9.938 13.792 1.529 1.00 0.00 H new ATOM 0 HB2 ARG B 515 11.389 15.440 -0.581 1.00 0.02 H new ATOM 0 HB3 ARG B 515 10.606 16.091 0.845 1.00 0.02 H new ATOM 0 HG2 ARG B 515 12.163 14.793 2.290 1.00 1.32 H new ATOM 0 HG3 ARG B 515 12.950 14.151 0.861 1.00 1.32 H new ATOM 0 HD2 ARG B 515 14.245 16.028 1.714 1.00 1.65 H new ATOM 0 HD3 ARG B 515 13.561 16.458 0.158 1.00 1.65 H new ATOM 0 HE ARG B 515 11.709 17.323 2.113 1.00 2.20 H new ATOM 0 HH11 ARG B 515 15.045 17.958 1.141 1.00 3.02 H new ATOM 0 HH12 ARG B 515 15.006 19.637 1.690 1.00 3.02 H new ATOM 0 HH21 ARG B 515 11.669 19.477 2.813 1.00 3.75 H new ATOM 0 HH22 ARG B 515 13.104 20.492 2.633 1.00 3.75 H new ATOM 569 N PHE B 516 8.959 14.084 -1.550 1.00 0.00 N ATOM 570 CA PHE B 516 7.869 14.458 -2.417 1.00 0.00 C ATOM 571 C PHE B 516 6.700 13.479 -2.263 1.00 0.00 C ATOM 572 O PHE B 516 5.544 13.889 -2.145 1.00 0.00 O ATOM 573 CB PHE B 516 8.337 14.503 -3.874 1.00 0.01 C ATOM 574 CG PHE B 516 7.288 14.993 -4.832 1.00 0.66 C ATOM 575 CD1 PHE B 516 7.083 16.350 -5.025 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.503 14.094 -5.539 1.00 1.15 C ATOM 577 CE1 PHE B 516 6.118 16.801 -5.905 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.536 14.539 -6.420 1.00 1.70 C ATOM 579 CZ PHE B 516 5.349 15.904 -6.605 1.00 1.89 C ATOM 0 H PHE B 516 9.741 13.633 -2.026 1.00 0.00 H new ATOM 0 HA PHE B 516 7.527 15.453 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.212 15.150 -3.945 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.653 13.504 -4.175 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.685 17.063 -4.481 1.00 1.12 H new ATOM 0 HD2 PHE B 516 6.649 13.033 -5.399 1.00 1.15 H new ATOM 0 HE1 PHE B 516 5.968 17.862 -6.043 1.00 1.67 H new ATOM 0 HE2 PHE B 516 4.928 13.830 -6.962 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.600 16.258 -7.298 1.00 1.89 H new ATOM 589 N LEU B 517 7.023 12.190 -2.258 1.00 0.00 N ATOM 590 CA LEU B 517 6.045 11.145 -2.061 1.00 0.00 C ATOM 591 C LEU B 517 5.449 11.159 -0.668 1.00 0.00 C ATOM 592 O LEU B 517 4.298 10.791 -0.495 1.00 0.00 O ATOM 593 CB LEU B 517 6.674 9.779 -2.349 1.00 0.02 C ATOM 594 CG LEU B 517 5.686 8.615 -2.453 1.00 1.00 C ATOM 595 CD1 LEU B 517 6.195 7.573 -3.436 1.00 1.77 C ATOM 596 CD2 LEU B 517 5.456 7.983 -1.089 1.00 1.90 C ATOM 0 H LEU B 517 7.975 11.848 -2.391 1.00 0.00 H new ATOM 0 HA LEU B 517 5.230 11.332 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU B 517 7.233 9.844 -3.282 1.00 0.02 H new ATOM 0 HB3 LEU B 517 7.393 9.555 -1.561 1.00 0.02 H new ATOM 0 HG LEU B 517 4.736 9.005 -2.818 1.00 1.00 H new ATOM 0 HD11 LEU B 517 5.481 6.752 -3.498 1.00 1.77 H new ATOM 0 HD12 LEU B 517 6.312 8.027 -4.420 1.00 1.77 H new ATOM 0 HD13 LEU B 517 7.158 7.191 -3.096 1.00 1.77 H new ATOM 0 HD21 LEU B 517 4.751 7.158 -1.185 1.00 1.90 H new ATOM 0 HD22 LEU B 517 6.402 7.609 -0.697 1.00 1.90 H new ATOM 0 HD23 LEU B 517 5.051 8.729 -0.406 1.00 1.90 H new ATOM 608 N VAL B 518 6.219 11.560 0.339 1.00 0.00 N ATOM 609 CA VAL B 518 5.647 11.607 1.673 1.00 0.00 C ATOM 610 C VAL B 518 4.590 12.697 1.722 1.00 0.00 C ATOM 611 O VAL B 518 3.570 12.542 2.392 1.00 0.00 O ATOM 612 CB VAL B 518 6.724 11.883 2.745 1.00 0.03 C ATOM 613 CG1 VAL B 518 6.086 12.227 4.082 1.00 1.40 C ATOM 614 CG2 VAL B 518 7.652 10.686 2.887 1.00 1.40 C ATOM 0 H VAL B 518 7.196 11.844 0.263 1.00 0.00 H new ATOM 0 HA VAL B 518 5.202 10.636 1.889 1.00 0.00 H new ATOM 0 HB VAL B 518 7.313 12.742 2.422 1.00 0.03 H new ATOM 0 HG11 VAL B 518 6.866 12.417 4.819 1.00 1.40 H new ATOM 0 HG12 VAL B 518 5.467 13.117 3.971 1.00 1.40 H new ATOM 0 HG13 VAL B 518 5.467 11.394 4.415 1.00 1.40 H new ATOM 0 HG21 VAL B 518 8.405 10.897 3.646 1.00 1.40 H new ATOM 0 HG22 VAL B 518 7.074 9.811 3.183 1.00 1.40 H new ATOM 0 HG23 VAL B 518 8.143 10.491 1.934 1.00 1.40 H new ATOM 624 N THR B 519 4.830 13.783 0.992 1.00 0.00 N ATOM 625 CA THR B 519 3.884 14.893 0.921 1.00 0.00 C ATOM 626 C THR B 519 2.639 14.551 0.081 1.00 0.00 C ATOM 627 O THR B 519 1.527 14.985 0.376 1.00 0.00 O ATOM 628 CB THR B 519 4.535 16.175 0.365 1.00 0.02 C ATOM 629 OG1 THR B 519 5.035 15.949 -0.956 1.00 1.10 O ATOM 630 CG2 THR B 519 5.666 16.642 1.269 1.00 1.18 C ATOM 0 H THR B 519 5.676 13.918 0.439 1.00 0.00 H new ATOM 0 HA THR B 519 3.570 15.074 1.949 1.00 0.00 H new ATOM 0 HB THR B 519 3.772 16.952 0.329 1.00 0.02 H new ATOM 0 HG1 THR B 519 5.064 14.986 -1.134 1.00 1.10 H new ATOM 0 HG21 THR B 519 6.111 17.548 0.857 1.00 1.18 H new ATOM 0 HG22 THR B 519 5.274 16.851 2.264 1.00 1.18 H new ATOM 0 HG23 THR B 519 6.425 15.863 1.334 1.00 1.18 H new ATOM 638 N VAL B 520 2.837 13.786 -0.984 1.00 0.00 N ATOM 639 CA VAL B 520 1.761 13.501 -1.911 1.00 0.00 C ATOM 640 C VAL B 520 0.731 12.563 -1.304 1.00 0.00 C ATOM 641 O VAL B 520 -0.474 12.779 -1.459 1.00 0.00 O ATOM 642 CB VAL B 520 2.273 12.932 -3.254 1.00 0.03 C ATOM 643 CG1 VAL B 520 2.764 11.505 -3.100 1.00 1.21 C ATOM 644 CG2 VAL B 520 1.185 13.014 -4.314 1.00 1.22 C ATOM 0 H VAL B 520 3.730 13.355 -1.223 1.00 0.00 H new ATOM 0 HA VAL B 520 1.281 14.457 -2.118 1.00 0.00 H new ATOM 0 HB VAL B 520 3.119 13.539 -3.574 1.00 0.03 H new ATOM 0 HG11 VAL B 520 3.117 11.136 -4.063 1.00 1.21 H new ATOM 0 HG12 VAL B 520 3.581 11.477 -2.379 1.00 1.21 H new ATOM 0 HG13 VAL B 520 1.947 10.875 -2.747 1.00 1.21 H new ATOM 0 HG21 VAL B 520 1.561 12.610 -5.254 1.00 1.22 H new ATOM 0 HG22 VAL B 520 0.319 12.437 -3.991 1.00 1.22 H new ATOM 0 HG23 VAL B 520 0.895 14.055 -4.457 1.00 1.22 H new ATOM 654 N ILE B 521 1.209 11.535 -0.601 1.00 0.00 N ATOM 655 CA ILE B 521 0.331 10.516 -0.062 1.00 0.00 C ATOM 656 C ILE B 521 -0.191 10.779 1.352 1.00 0.00 C ATOM 657 O ILE B 521 -1.278 10.309 1.712 1.00 0.00 O ATOM 658 CB ILE B 521 1.007 9.128 -0.065 1.00 0.02 C ATOM 659 CG1 ILE B 521 2.138 9.078 0.969 1.00 1.41 C ATOM 660 CG2 ILE B 521 1.533 8.791 -1.452 1.00 1.40 C ATOM 661 CD1 ILE B 521 2.771 7.710 1.109 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.393 -0.396 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.527 10.545 -0.734 1.00 0.00 H new ATOM 0 HB ILE B 521 0.260 8.382 0.207 1.00 0.02 H new ATOM 0 HG12 ILE B 521 2.907 9.798 0.689 1.00 1.41 H new ATOM 0 HG13 ILE B 521 1.747 9.389 1.938 1.00 1.41 H new ATOM 0 HG21 ILE B 521 2.006 7.809 -1.433 1.00 1.40 H new ATOM 0 HG22 ILE B 521 0.706 8.782 -2.162 1.00 1.40 H new ATOM 0 HG23 ILE B 521 2.264 9.540 -1.756 1.00 1.40 H new ATOM 0 HD11 ILE B 521 3.563 7.750 1.857 1.00 1.98 H new ATOM 0 HD12 ILE B 521 2.015 6.989 1.419 1.00 1.98 H new ATOM 0 HD13 ILE B 521 3.192 7.404 0.151 1.00 1.98 H new ATOM 673 N LYS B 522 0.554 11.556 2.141 1.00 0.00 N ATOM 674 CA LYS B 522 0.085 11.987 3.460 1.00 0.00 C ATOM 675 C LYS B 522 -1.188 12.800 3.282 1.00 0.00 C ATOM 676 O LYS B 522 -2.117 12.738 4.095 1.00 0.00 O ATOM 677 CB LYS B 522 1.155 12.818 4.173 1.00 0.01 C ATOM 678 CG LYS B 522 0.733 13.314 5.549 1.00 1.10 C ATOM 679 CD LYS B 522 0.485 12.162 6.515 1.00 1.37 C ATOM 680 CE LYS B 522 1.766 11.404 6.828 1.00 2.02 C ATOM 681 NZ LYS B 522 2.768 12.263 7.519 1.00 2.57 N ATOM 0 H LYS B 522 1.482 11.899 1.891 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.119 11.112 4.077 1.00 0.00 H new ATOM 0 HB2 LYS B 522 2.059 12.218 4.275 1.00 0.01 H new ATOM 0 HB3 LYS B 522 1.410 13.676 3.551 1.00 0.01 H new ATOM 0 HG2 LYS B 522 1.507 13.967 5.953 1.00 1.10 H new ATOM 0 HG3 LYS B 522 -0.173 13.913 5.457 1.00 1.10 H new ATOM 0 HD2 LYS B 522 0.056 12.548 7.439 1.00 1.37 H new ATOM 0 HD3 LYS B 522 -0.247 11.478 6.085 1.00 1.37 H new ATOM 0 HE2 LYS B 522 1.534 10.543 7.454 1.00 2.02 H new ATOM 0 HE3 LYS B 522 2.195 11.019 5.903 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 3.518 11.666 7.923 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 3.185 12.928 6.836 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 2.302 12.796 8.281 1.00 2.57 H new ATOM 695 N ASP B 523 -1.243 13.555 2.197 1.00 0.00 N ATOM 696 CA ASP B 523 -2.403 14.404 1.966 1.00 0.00 C ATOM 697 C ASP B 523 -3.521 13.763 1.120 1.00 0.00 C ATOM 698 O ASP B 523 -4.666 14.192 1.202 1.00 0.00 O ATOM 699 CB ASP B 523 -1.963 15.713 1.311 1.00 0.01 C ATOM 700 CG ASP B 523 -1.096 16.553 2.228 1.00 1.28 C ATOM 701 OD1 ASP B 523 -1.654 17.377 2.983 1.00 1.70 O ATOM 702 OD2 ASP B 523 0.141 16.388 2.193 1.00 2.17 O ATOM 0 H ASP B 523 -0.520 13.599 1.479 1.00 0.00 H new ATOM 0 HA ASP B 523 -2.836 14.576 2.952 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.413 15.492 0.396 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -2.844 16.286 1.022 1.00 0.01 H new ATOM 707 N LEU B 524 -3.192 12.737 0.330 1.00 0.00 N ATOM 708 CA LEU B 524 -4.218 11.916 -0.325 1.00 0.00 C ATOM 709 C LEU B 524 -4.932 11.068 0.726 1.00 0.00 C ATOM 710 O LEU B 524 -6.147 11.005 0.749 1.00 0.00 O ATOM 711 CB LEU B 524 -3.591 11.016 -1.395 1.00 0.04 C ATOM 712 CG LEU B 524 -3.096 11.739 -2.650 1.00 0.63 C ATOM 713 CD1 LEU B 524 -2.317 10.784 -3.544 1.00 1.48 C ATOM 714 CD2 LEU B 524 -4.265 12.349 -3.412 1.00 1.36 C ATOM 0 H LEU B 524 -2.232 12.456 0.129 1.00 0.00 H new ATOM 0 HA LEU B 524 -4.938 12.572 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.753 10.480 -0.950 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -4.325 10.268 -1.693 1.00 0.04 H new ATOM 0 HG LEU B 524 -2.429 12.544 -2.342 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -1.973 11.315 -4.431 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -1.458 10.394 -2.998 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -2.962 9.958 -3.843 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -3.894 12.859 -4.301 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -4.957 11.561 -3.708 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -4.782 13.065 -2.773 1.00 1.36 H new ATOM 726 N LEU B 525 -4.164 10.452 1.615 1.00 0.00 N ATOM 727 CA LEU B 525 -4.709 9.802 2.783 1.00 0.00 C ATOM 728 C LEU B 525 -5.630 10.755 3.564 1.00 0.00 C ATOM 729 O LEU B 525 -6.736 10.377 3.995 1.00 0.00 O ATOM 730 CB LEU B 525 -3.581 9.310 3.696 1.00 0.02 C ATOM 731 CG LEU B 525 -3.156 7.850 3.503 1.00 1.09 C ATOM 732 CD1 LEU B 525 -4.314 6.909 3.802 1.00 1.76 C ATOM 733 CD2 LEU B 525 -2.633 7.620 2.093 1.00 1.95 C ATOM 0 H LEU B 525 -3.148 10.393 1.540 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.297 8.948 2.447 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -2.710 9.946 3.540 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -3.893 9.444 4.732 1.00 0.02 H new ATOM 0 HG LEU B 525 -2.350 7.638 4.205 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -3.991 5.878 3.659 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -4.639 7.048 4.833 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -5.143 7.126 3.128 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -2.338 6.577 1.980 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -3.416 7.856 1.372 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -1.771 8.263 1.915 1.00 1.95 H new ATOM 745 N GLY B 526 -5.169 11.989 3.758 1.00 0.00 N ATOM 746 CA GLY B 526 -5.937 12.958 4.506 1.00 0.00 C ATOM 747 C GLY B 526 -7.212 13.327 3.768 1.00 0.00 C ATOM 748 O GLY B 526 -8.279 13.479 4.377 1.00 0.00 O ATOM 0 H GLY B 526 -4.274 12.331 3.407 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.185 12.552 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.337 13.853 4.673 1.00 0.00 H new ATOM 752 N LEU B 527 -7.095 13.477 2.452 1.00 0.00 N ATOM 753 CA LEU B 527 -8.249 13.740 1.597 1.00 0.00 C ATOM 754 C LEU B 527 -9.243 12.570 1.619 1.00 0.00 C ATOM 755 O LEU B 527 -10.462 12.768 1.561 1.00 0.00 O ATOM 756 CB LEU B 527 -7.794 14.010 0.158 1.00 0.01 C ATOM 757 CG LEU B 527 -7.754 15.485 -0.255 1.00 0.98 C ATOM 758 CD1 LEU B 527 -9.140 16.105 -0.171 1.00 1.57 C ATOM 759 CD2 LEU B 527 -6.770 16.262 0.607 1.00 1.67 C ATOM 0 H LEU B 527 -6.208 13.421 1.952 1.00 0.00 H new ATOM 0 HA LEU B 527 -8.756 14.623 1.987 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -6.799 13.586 0.025 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -8.461 13.478 -0.521 1.00 0.01 H new ATOM 0 HG LEU B 527 -7.416 15.536 -1.290 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -9.089 17.152 -0.468 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -9.818 15.571 -0.837 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -9.508 16.036 0.853 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -6.759 17.306 0.295 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -7.073 16.199 1.652 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -5.772 15.838 0.492 1.00 1.67 H new ATOM 771 N CYS B 528 -8.711 11.353 1.696 1.00 0.00 N ATOM 772 CA CYS B 528 -9.542 10.171 1.622 1.00 0.00 C ATOM 773 C CYS B 528 -10.503 10.116 2.796 1.00 0.00 C ATOM 774 O CYS B 528 -11.700 9.880 2.623 1.00 0.00 O ATOM 775 CB CYS B 528 -8.683 8.907 1.601 1.00 0.04 C ATOM 776 SG CYS B 528 -9.643 7.376 1.615 1.00 0.59 S ATOM 0 H CYS B 528 -7.714 11.168 1.809 1.00 0.00 H new ATOM 0 HA CYS B 528 -10.116 10.224 0.697 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -8.052 8.922 0.712 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.018 8.916 2.464 1.00 0.04 H new ATOM 0 HG CYS B 528 -8.836 6.357 1.594 1.00 0.59 H new ATOM 782 N GLU B 529 -9.963 10.339 3.988 1.00 0.00 N ATOM 783 CA GLU B 529 -10.765 10.452 5.194 1.00 0.00 C ATOM 784 C GLU B 529 -11.754 11.634 5.139 1.00 0.00 C ATOM 785 O GLU B 529 -12.832 11.585 5.741 1.00 0.00 O ATOM 786 CB GLU B 529 -9.860 10.609 6.415 1.00 0.02 C ATOM 787 CG GLU B 529 -8.798 9.531 6.530 1.00 1.29 C ATOM 788 CD GLU B 529 -7.949 9.683 7.777 1.00 1.85 C ATOM 789 OE1 GLU B 529 -7.038 10.537 7.775 1.00 2.50 O ATOM 790 OE2 GLU B 529 -8.194 8.946 8.755 1.00 2.25 O ATOM 0 H GLU B 529 -8.960 10.446 4.143 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.348 9.534 5.271 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -9.373 11.583 6.372 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -10.474 10.599 7.315 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -9.278 8.552 6.538 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -8.155 9.564 5.650 1.00 1.29 H new ATOM 797 N GLN B 530 -11.385 12.683 4.409 1.00 0.00 N ATOM 798 CA GLN B 530 -12.203 13.892 4.305 1.00 0.00 C ATOM 799 C GLN B 530 -13.468 13.697 3.474 1.00 0.00 C ATOM 800 O GLN B 530 -14.574 13.994 3.922 1.00 0.00 O ATOM 801 CB GLN B 530 -11.372 15.034 3.719 1.00 0.01 C ATOM 802 CG GLN B 530 -12.076 16.381 3.757 1.00 0.99 C ATOM 803 CD GLN B 530 -11.189 17.517 3.285 1.00 1.50 C ATOM 804 OE1 GLN B 530 -9.968 17.472 3.438 1.00 2.15 O ATOM 805 NE2 GLN B 530 -11.800 18.545 2.709 1.00 2.24 N ATOM 0 H GLN B 530 -10.517 12.721 3.875 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.526 14.137 5.317 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.434 15.108 4.268 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -11.119 14.795 2.686 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -12.968 16.338 3.132 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -12.409 16.584 4.775 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -12.814 18.541 2.602 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -11.255 19.339 2.373 1.00 2.24 H new ATOM 814 N LYS B 531 -13.290 13.226 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.046 1.331 1.00 0.00 C ATOM 816 C LYS B 531 -15.316 11.917 1.796 1.00 0.00 C ATOM 817 O LYS B 531 -14.850 10.864 2.246 1.00 0.00 O ATOM 818 CB LYS B 531 -13.889 12.752 -0.080 1.00 0.03 C ATOM 819 CG LYS B 531 -13.178 13.929 -0.727 1.00 0.77 C ATOM 820 CD LYS B 531 -12.723 13.597 -2.138 1.00 1.35 C ATOM 821 CE LYS B 531 -12.142 14.816 -2.837 1.00 1.81 C ATOM 822 NZ LYS B 531 -13.130 15.927 -2.930 1.00 2.28 N ATOM 0 H LYS B 531 -12.382 12.962 1.865 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.977 13.972 1.316 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -13.206 11.903 -0.040 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -14.729 12.456 -0.708 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -13.846 14.790 -0.752 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -12.316 14.212 -0.123 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -11.975 12.805 -2.103 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -13.566 13.214 -2.713 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -11.260 15.159 -2.296 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -11.813 14.538 -3.838 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -12.823 16.604 -3.657 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -14.062 15.542 -3.186 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -13.196 16.411 -2.012 1.00 2.28 H new ATOM 836 N ARG B 532 -16.622 12.149 1.690 1.00 0.00 N ATOM 837 CA ARG B 532 -17.590 11.144 2.065 1.00 0.00 C ATOM 838 C ARG B 532 -18.045 10.366 0.835 1.00 0.00 C ATOM 839 O ARG B 532 -17.884 10.828 -0.303 1.00 0.00 O ATOM 840 CB ARG B 532 -18.793 11.805 2.742 1.00 0.01 C ATOM 841 CG ARG B 532 -19.759 10.822 3.382 1.00 1.32 C ATOM 842 CD ARG B 532 -21.036 11.514 3.831 1.00 1.86 C ATOM 843 NE ARG B 532 -21.899 10.626 4.605 1.00 2.54 N ATOM 844 CZ ARG B 532 -23.222 10.757 4.673 1.00 3.32 C ATOM 845 NH1 ARG B 532 -23.830 11.726 4.002 1.00 3.60 N ATOM 846 NH2 ARG B 532 -23.936 9.917 5.410 1.00 4.21 N ATOM 0 H ARG B 532 -17.024 13.022 1.349 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.125 10.451 2.766 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -18.434 12.495 3.506 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -19.331 12.399 2.004 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -20.002 10.032 2.671 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -19.281 10.345 4.238 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -20.783 12.387 4.432 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -21.579 11.875 2.957 1.00 1.86 H new ATOM 0 HE ARG B 532 -21.464 9.862 5.123 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -23.284 12.372 3.433 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -24.844 11.825 4.055 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -23.472 9.169 5.926 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -24.950 10.018 5.461 1.00 4.21 H new ATOM 860 N GLY B 533 -18.610 9.183 1.069 1.00 0.00 N ATOM 861 CA GLY B 533 -19.097 8.353 -0.009 1.00 0.00 C ATOM 862 C GLY B 533 -18.046 7.431 -0.600 1.00 0.00 C ATOM 863 O GLY B 533 -17.036 7.882 -1.130 1.00 0.00 O ATOM 0 H GLY B 533 -18.738 8.785 2.000 1.00 0.00 H new ATOM 0 HA2 GLY B 533 -19.929 7.752 0.356 1.00 0.00 H new ATOM 0 HA3 GLY B 533 -19.489 8.994 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.311 6.129 -0.518 1.00 0.00 N ATOM 868 CA LYS B 534 -17.434 5.113 -1.089 1.00 0.00 C ATOM 869 C LYS B 534 -16.995 5.432 -2.531 1.00 0.00 C ATOM 870 O LYS B 534 -15.867 5.161 -2.906 1.00 0.00 O ATOM 871 CB LYS B 534 -18.126 3.747 -1.053 1.00 0.02 C ATOM 872 CG LYS B 534 -19.513 3.740 -1.681 1.00 1.17 C ATOM 873 CD LYS B 534 -20.588 4.131 -0.678 1.00 1.67 C ATOM 874 CE LYS B 534 -21.978 4.051 -1.291 1.00 2.37 C ATOM 875 NZ LYS B 534 -23.036 4.445 -0.319 1.00 2.95 N ATOM 0 H LYS B 534 -19.137 5.751 -0.055 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.532 5.099 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -17.500 3.020 -1.571 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -18.206 3.418 -0.017 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -19.534 4.430 -2.524 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -19.728 2.747 -2.076 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -20.534 3.474 0.190 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -20.404 5.145 -0.322 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -22.028 4.701 -2.165 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -22.164 3.035 -1.638 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -23.968 4.377 -0.774 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -23.006 3.810 0.504 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -22.873 5.424 -0.007 1.00 2.95 H new ATOM 889 N ASP B 535 -17.881 6.013 -3.334 1.00 0.00 N ATOM 890 CA ASP B 535 -17.493 6.446 -4.670 1.00 0.00 C ATOM 891 C ASP B 535 -16.216 7.299 -4.618 1.00 0.00 C ATOM 892 O ASP B 535 -15.264 7.030 -5.340 1.00 0.00 O ATOM 893 CB ASP B 535 -18.622 7.251 -5.316 1.00 0.01 C ATOM 894 CG ASP B 535 -19.916 6.466 -5.407 1.00 1.35 C ATOM 895 OD1 ASP B 535 -20.122 5.778 -6.429 1.00 1.82 O ATOM 896 OD2 ASP B 535 -20.722 6.536 -4.455 1.00 2.20 O ATOM 0 H ASP B 535 -18.855 6.192 -3.089 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.297 5.557 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -18.792 8.160 -4.739 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -18.317 7.560 -6.316 1.00 0.01 H new ATOM 901 N ASN B 536 -16.210 8.326 -3.768 1.00 0.00 N ATOM 902 CA ASN B 536 -15.037 9.193 -3.600 1.00 0.00 C ATOM 903 C ASN B 536 -13.855 8.463 -2.993 1.00 0.00 C ATOM 904 O ASN B 536 -12.711 8.628 -3.432 1.00 0.00 O ATOM 905 CB ASN B 536 -15.398 10.399 -2.731 1.00 0.07 C ATOM 906 CG ASN B 536 -16.435 11.290 -3.384 1.00 0.63 C ATOM 907 OD1 ASN B 536 -16.096 12.223 -4.112 1.00 1.38 O ATOM 908 ND2 ASN B 536 -17.705 11.007 -3.126 1.00 1.47 N ATOM 0 H ASN B 536 -17.005 8.581 -3.182 1.00 0.00 H new ATOM 0 HA ASN B 536 -14.740 9.523 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -15.775 10.051 -1.769 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -14.498 10.980 -2.529 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -18.447 11.573 -3.537 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -17.939 10.224 -2.516 1.00 1.47 H new ATOM 915 N LYS B 537 -14.118 7.680 -1.955 1.00 0.00 N ATOM 916 CA LYS B 537 -13.035 7.022 -1.233 1.00 0.00 C ATOM 917 C LYS B 537 -12.376 5.965 -2.114 1.00 0.00 C ATOM 918 O LYS B 537 -11.169 5.734 -2.026 1.00 0.00 O ATOM 919 CB LYS B 537 -13.565 6.378 0.050 1.00 0.03 C ATOM 920 CG LYS B 537 -14.197 7.373 1.011 1.00 0.81 C ATOM 921 CD LYS B 537 -14.789 6.678 2.227 1.00 1.12 C ATOM 922 CE LYS B 537 -15.429 7.676 3.179 1.00 1.82 C ATOM 923 NZ LYS B 537 -16.054 7.004 4.351 1.00 2.50 N ATOM 0 H LYS B 537 -15.054 7.487 -1.598 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.291 7.773 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.302 5.619 -0.211 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.746 5.866 0.556 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -13.447 8.095 1.333 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -14.977 7.933 0.495 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -15.534 5.950 1.905 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -14.008 6.125 2.748 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -14.674 8.382 3.525 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -16.185 8.253 2.646 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -16.479 7.719 4.975 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -16.792 6.349 4.023 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -15.329 6.474 4.875 1.00 2.50 H new ATOM 937 N ALA B 538 -13.176 5.357 -2.987 1.00 0.00 N ATOM 938 CA ALA B 538 -12.693 4.350 -3.922 1.00 0.00 C ATOM 939 C ALA B 538 -11.768 4.968 -4.968 1.00 0.00 C ATOM 940 O ALA B 538 -10.697 4.443 -5.242 1.00 0.00 O ATOM 941 CB ALA B 538 -13.862 3.652 -4.593 1.00 0.04 C ATOM 0 H ALA B 538 -14.175 5.550 -3.064 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.119 3.613 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.487 2.902 -5.289 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.480 3.168 -3.836 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.460 4.384 -5.136 1.00 0.04 H new ATOM 947 N ILE B 539 -12.188 6.086 -5.547 1.00 0.00 N ATOM 948 CA ILE B 539 -11.334 6.843 -6.453 1.00 0.00 C ATOM 949 C ILE B 539 -10.028 7.272 -5.761 1.00 0.00 C ATOM 950 O ILE B 539 -8.925 6.984 -6.230 1.00 0.00 O ATOM 951 CB ILE B 539 -12.046 8.056 -7.109 1.00 0.05 C ATOM 952 CG1 ILE B 539 -11.141 8.692 -8.169 1.00 1.15 C ATOM 953 CG2 ILE B 539 -12.465 9.092 -6.083 1.00 1.12 C ATOM 954 CD1 ILE B 539 -10.844 7.780 -9.340 1.00 1.82 C ATOM 0 H ILE B 539 -13.115 6.488 -5.405 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.087 6.163 -7.269 1.00 0.00 H new ATOM 0 HB ILE B 539 -12.953 7.685 -7.586 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -11.613 9.602 -8.539 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -10.201 8.988 -7.702 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -12.959 9.923 -6.586 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -13.153 8.639 -5.369 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -11.584 9.459 -5.556 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -10.198 8.297 -10.050 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -10.343 6.880 -8.983 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -11.777 7.504 -9.832 1.00 1.82 H new ATOM 966 N ILE B 540 -10.147 7.956 -4.633 1.00 0.00 N ATOM 967 CA ILE B 540 -8.960 8.425 -3.926 1.00 0.00 C ATOM 968 C ILE B 540 -8.036 7.255 -3.593 1.00 0.00 C ATOM 969 O ILE B 540 -6.836 7.307 -3.846 1.00 0.00 O ATOM 970 CB ILE B 540 -9.303 9.230 -2.651 1.00 0.06 C ATOM 971 CG1 ILE B 540 -8.050 9.906 -2.091 1.00 1.12 C ATOM 972 CG2 ILE B 540 -9.939 8.346 -1.597 1.00 1.11 C ATOM 973 CD1 ILE B 540 -7.529 11.032 -2.958 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.196 -4.192 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.441 9.108 -4.598 1.00 0.00 H new ATOM 0 HB ILE B 540 -10.025 9.999 -2.926 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -8.271 10.296 -1.098 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -7.266 9.158 -1.972 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -10.168 8.941 -0.713 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -10.858 7.913 -1.992 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -9.248 7.547 -1.327 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -6.640 11.464 -2.498 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -7.275 10.644 -3.945 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -8.296 11.800 -3.056 1.00 1.85 H new ATOM 985 N ALA B 541 -8.617 6.197 -3.038 1.00 0.00 N ATOM 986 CA ALA B 541 -7.883 4.992 -2.670 1.00 0.00 C ATOM 987 C ALA B 541 -7.139 4.344 -3.846 1.00 0.00 C ATOM 988 O ALA B 541 -5.985 3.915 -3.706 1.00 0.00 O ATOM 989 CB ALA B 541 -8.823 3.981 -2.035 1.00 0.02 C ATOM 0 H ALA B 541 -9.614 6.151 -2.830 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.123 5.303 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.264 3.085 -1.764 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.272 4.413 -1.141 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.608 3.719 -2.744 1.00 0.02 H new ATOM 995 N SER B 542 -7.806 4.248 -4.993 1.00 0.00 N ATOM 996 CA SER B 542 -7.190 3.623 -6.163 1.00 0.00 C ATOM 997 C SER B 542 -5.933 4.382 -6.567 1.00 0.00 C ATOM 998 O SER B 542 -4.944 3.784 -6.958 1.00 0.00 O ATOM 999 CB SER B 542 -8.177 3.581 -7.332 1.00 0.01 C ATOM 1000 OG SER B 542 -8.526 4.888 -7.754 1.00 1.20 O ATOM 0 H SER B 542 -8.757 4.588 -5.138 1.00 0.00 H new ATOM 0 HA SER B 542 -6.916 2.601 -5.902 1.00 0.00 H new ATOM 0 HB2 SER B 542 -7.736 3.033 -8.164 1.00 0.01 H new ATOM 0 HB3 SER B 542 -9.075 3.040 -7.034 1.00 0.01 H new ATOM 0 HG SER B 542 -8.534 5.490 -6.981 1.00 1.20 H new ATOM 1006 N ASN B 543 -6.006 5.706 -6.462 1.00 0.00 N ATOM 1007 CA ASN B 543 -4.957 6.613 -6.889 1.00 0.00 C ATOM 1008 C ASN B 543 -3.684 6.555 -6.034 1.00 0.00 C ATOM 1009 O ASN B 543 -2.564 6.476 -6.541 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.490 8.047 -6.904 1.00 0.01 C ATOM 1011 CG ASN B 543 -4.460 9.040 -7.405 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -3.682 9.590 -6.626 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -4.450 9.273 -8.711 1.00 1.80 N ATOM 0 H ASN B 543 -6.816 6.184 -6.068 1.00 0.00 H new ATOM 0 HA ASN B 543 -4.670 6.287 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -6.376 8.096 -7.537 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -5.801 8.327 -5.898 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -3.778 9.931 -9.107 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -5.114 8.794 -9.320 1.00 1.80 H new ATOM 1020 N ILE B 544 -3.867 6.582 -4.732 1.00 0.00 N ATOM 1021 CA ILE B 544 -2.780 6.321 -3.817 1.00 0.00 C ATOM 1022 C ILE B 544 -2.125 4.981 -4.206 1.00 0.00 C ATOM 1023 O ILE B 544 -0.899 4.863 -4.295 1.00 0.00 O ATOM 1024 CB ILE B 544 -3.275 6.252 -2.358 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -4.074 7.510 -2.010 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -2.098 6.086 -1.407 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -4.887 7.381 -0.739 1.00 1.81 C ATOM 0 H ILE B 544 -4.761 6.783 -4.283 1.00 0.00 H new ATOM 0 HA ILE B 544 -2.059 7.136 -3.884 1.00 0.00 H new ATOM 0 HB ILE B 544 -3.929 5.386 -2.251 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -3.387 8.350 -1.908 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -4.744 7.745 -2.837 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -2.463 6.039 -0.381 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -1.565 5.166 -1.645 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -1.422 6.935 -1.513 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -5.426 8.310 -0.556 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -5.599 6.563 -0.844 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -4.221 7.177 0.100 1.00 1.81 H new ATOM 1039 N MET B 545 -2.943 3.969 -4.459 1.00 0.00 N ATOM 1040 CA MET B 545 -2.395 2.674 -4.846 1.00 0.00 C ATOM 1041 C MET B 545 -1.647 2.722 -6.184 1.00 0.00 C ATOM 1042 O MET B 545 -0.568 2.139 -6.321 1.00 0.00 O ATOM 1043 CB MET B 545 -3.513 1.633 -4.919 1.00 0.04 C ATOM 1044 CG MET B 545 -4.190 1.366 -3.584 1.00 0.88 C ATOM 1045 SD MET B 545 -3.588 -0.133 -2.781 1.00 1.81 S ATOM 1046 CE MET B 545 -1.888 0.316 -2.438 1.00 2.60 C ATOM 0 H MET B 545 -3.961 4.014 -4.406 1.00 0.00 H new ATOM 0 HA MET B 545 -1.671 2.395 -4.080 1.00 0.00 H new ATOM 0 HB2 MET B 545 -4.263 1.968 -5.636 1.00 0.04 H new ATOM 0 HB3 MET B 545 -3.102 0.698 -5.301 1.00 0.04 H new ATOM 0 HG2 MET B 545 -4.027 2.217 -2.923 1.00 0.88 H new ATOM 0 HG3 MET B 545 -5.266 1.283 -3.738 1.00 0.88 H new ATOM 0 HE1 MET B 545 -1.427 -0.453 -1.818 1.00 2.60 H new ATOM 0 HE2 MET B 545 -1.339 0.404 -3.375 1.00 2.60 H new ATOM 0 HE3 MET B 545 -1.863 1.270 -1.912 1.00 2.60 H new ATOM 1056 N TYR B 546 -2.206 3.423 -7.163 1.00 0.00 N ATOM 1057 CA TYR B 546 -1.506 3.562 -8.421 1.00 0.00 C ATOM 1058 C TYR B 546 -0.143 4.209 -8.187 1.00 0.00 C ATOM 1059 O TYR B 546 0.868 3.697 -8.655 1.00 0.00 O ATOM 1060 CB TYR B 546 -2.328 4.397 -9.403 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.718 4.482 -10.784 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.897 3.461 -11.709 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -0.961 5.584 -11.164 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -1.340 3.537 -12.973 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.402 5.668 -12.425 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.596 4.634 -13.327 1.00 1.57 C ATOM 1067 OH TYR B 546 -0.039 4.721 -14.582 1.00 2.08 O ATOM 0 H TYR B 546 -3.112 3.888 -7.110 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.360 2.572 -8.852 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.328 3.970 -9.482 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.443 5.404 -9.003 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.480 2.594 -11.437 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -0.807 6.389 -10.461 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -1.491 2.734 -13.680 1.00 1.00 H new ATOM 0 HE2 TYR B 546 0.181 6.533 -12.705 1.00 1.68 H new ATOM 0 HH TYR B 546 0.454 5.564 -14.663 1.00 2.08 H new ATOM 1077 N ILE B 547 -0.134 5.313 -7.439 1.00 0.00 N ATOM 1078 CA ILE B 547 1.092 6.045 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.148 5.160 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.251 4.976 -6.968 1.00 0.00 O ATOM 1081 CB ILE B 547 0.795 7.260 -6.196 1.00 0.06 C ATOM 1082 CG1 ILE B 547 -0.103 8.267 -6.926 1.00 0.74 C ATOM 1083 CG2 ILE B 547 2.090 7.928 -5.748 1.00 0.78 C ATOM 1084 CD1 ILE B 547 0.514 8.844 -8.185 1.00 1.50 C ATOM 0 H ILE B 547 -0.979 5.727 -7.045 1.00 0.00 H new ATOM 0 HA ILE B 547 1.496 6.394 -8.056 1.00 0.00 H new ATOM 0 HB ILE B 547 0.270 6.904 -5.309 1.00 0.06 H new ATOM 0 HG12 ILE B 547 -1.043 7.779 -7.185 1.00 0.74 H new ATOM 0 HG13 ILE B 547 -0.345 9.083 -6.245 1.00 0.74 H new ATOM 0 HG21 ILE B 547 1.858 8.780 -5.109 1.00 0.78 H new ATOM 0 HG22 ILE B 547 2.695 7.212 -5.192 1.00 0.78 H new ATOM 0 HG23 ILE B 547 2.644 8.270 -6.622 1.00 0.78 H new ATOM 0 HD11 ILE B 547 -0.183 9.547 -8.642 1.00 1.50 H new ATOM 0 HD12 ILE B 547 1.439 9.362 -7.932 1.00 1.50 H new ATOM 0 HD13 ILE B 547 0.730 8.038 -8.887 1.00 1.50 H new ATOM 1096 N VAL B 548 1.820 4.605 -5.290 1.00 0.00 N ATOM 1097 CA VAL B 548 2.743 3.686 -4.640 1.00 0.00 C ATOM 1098 C VAL B 548 3.289 2.643 -5.630 1.00 0.00 C ATOM 1099 O VAL B 548 4.478 2.341 -5.636 1.00 0.00 O ATOM 1100 CB VAL B 548 2.067 2.959 -3.460 1.00 0.03 C ATOM 1101 CG1 VAL B 548 3.031 1.982 -2.804 1.00 1.40 C ATOM 1102 CG2 VAL B 548 1.546 3.961 -2.440 1.00 1.39 C ATOM 0 H VAL B 548 0.944 4.767 -4.793 1.00 0.00 H new ATOM 0 HA VAL B 548 3.573 4.285 -4.264 1.00 0.00 H new ATOM 0 HB VAL B 548 1.221 2.393 -3.850 1.00 0.03 H new ATOM 0 HG11 VAL B 548 2.533 1.481 -1.974 1.00 1.40 H new ATOM 0 HG12 VAL B 548 3.352 1.241 -3.536 1.00 1.40 H new ATOM 0 HG13 VAL B 548 3.900 2.524 -2.431 1.00 1.40 H new ATOM 0 HG21 VAL B 548 1.073 3.428 -1.615 1.00 1.39 H new ATOM 0 HG22 VAL B 548 2.375 4.557 -2.059 1.00 1.39 H new ATOM 0 HG23 VAL B 548 0.816 4.617 -2.914 1.00 1.39 H new ATOM 1112 N GLY B 549 2.416 2.077 -6.461 1.00 0.00 N ATOM 1113 CA GLY B 549 2.816 1.046 -7.407 1.00 0.00 C ATOM 1114 C GLY B 549 3.916 1.501 -8.346 1.00 0.00 C ATOM 1115 O GLY B 549 4.729 0.701 -8.825 1.00 0.00 O ATOM 0 H GLY B 549 1.426 2.318 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.155 0.168 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.949 0.741 -7.992 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.807 -8.597 1.00 0.00 N ATOM 1120 CA GLN B 550 4.882 3.390 -9.553 1.00 0.00 C ATOM 1121 C GLN B 550 6.223 3.728 -8.929 1.00 0.00 C ATOM 1122 O GLN B 550 7.179 4.047 -9.636 1.00 0.00 O ATOM 1123 CB GLN B 550 4.266 4.642 -10.180 1.00 0.01 C ATOM 1124 CG GLN B 550 4.826 4.971 -11.554 1.00 1.12 C ATOM 1125 CD GLN B 550 4.196 6.211 -12.159 1.00 1.59 C ATOM 1126 OE1 GLN B 550 3.040 6.532 -11.882 1.00 2.25 O ATOM 1127 NE2 GLN B 550 4.954 6.913 -12.993 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.486 -8.145 1.00 0.00 H new ATOM 0 HA GLN B 550 5.066 2.641 -10.323 1.00 0.00 H new ATOM 0 HB2 GLN B 550 3.187 4.506 -10.259 1.00 0.01 H new ATOM 0 HB3 GLN B 550 4.432 5.490 -9.516 1.00 0.01 H new ATOM 0 HG2 GLN B 550 5.904 5.116 -11.478 1.00 1.12 H new ATOM 0 HG3 GLN B 550 4.664 4.124 -12.221 1.00 1.12 H new ATOM 0 HE21 GLN B 550 5.907 6.610 -13.194 1.00 2.27 H new ATOM 0 HE22 GLN B 550 4.583 7.755 -13.433 1.00 2.27 H new ATOM 1136 N TYR B 551 6.301 3.639 -7.605 1.00 0.00 N ATOM 1137 CA TYR B 551 7.520 4.004 -6.906 1.00 0.00 C ATOM 1138 C TYR B 551 8.132 2.857 -6.087 1.00 0.00 C ATOM 1139 O TYR B 551 8.289 2.969 -4.872 1.00 0.00 O ATOM 1140 CB TYR B 551 7.258 5.202 -5.990 1.00 0.08 C ATOM 1141 CG TYR B 551 6.957 6.483 -6.735 1.00 0.90 C ATOM 1142 CD1 TYR B 551 7.977 7.240 -7.294 1.00 1.80 C ATOM 1143 CD2 TYR B 551 5.649 6.935 -6.879 1.00 1.10 C ATOM 1144 CE1 TYR B 551 7.707 8.411 -7.976 1.00 2.65 C ATOM 1145 CE2 TYR B 551 5.371 8.105 -7.560 1.00 1.91 C ATOM 1146 CZ TYR B 551 6.401 8.838 -8.107 1.00 2.65 C ATOM 1147 OH TYR B 551 6.129 10.006 -8.784 1.00 3.53 O ATOM 0 H TYR B 551 5.541 3.320 -7.003 1.00 0.00 H new ATOM 0 HA TYR B 551 8.247 4.259 -7.677 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.420 4.969 -5.333 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.129 5.358 -5.353 1.00 0.08 H new ATOM 0 HD1 TYR B 551 9.000 6.908 -7.194 1.00 1.80 H new ATOM 0 HD2 TYR B 551 4.839 6.363 -6.452 1.00 1.10 H new ATOM 0 HE1 TYR B 551 8.513 8.989 -8.404 1.00 2.65 H new ATOM 0 HE2 TYR B 551 4.350 8.443 -7.663 1.00 1.91 H new ATOM 0 HH TYR B 551 5.162 10.165 -8.787 1.00 3.53 H new ATOM 1157 N PRO B 552 8.484 1.747 -6.754 1.00 0.00 N ATOM 1158 CA PRO B 552 9.115 0.635 -6.028 1.00 0.00 C ATOM 1159 C PRO B 552 10.380 1.051 -5.272 1.00 0.00 C ATOM 1160 O PRO B 552 10.616 0.551 -4.181 1.00 0.00 O ATOM 1161 CB PRO B 552 9.460 -0.368 -7.139 1.00 0.01 C ATOM 1162 CG PRO B 552 9.364 0.400 -8.419 1.00 0.46 C ATOM 1163 CD PRO B 552 8.341 1.476 -8.188 1.00 0.02 C ATOM 0 HA PRO B 552 8.454 0.236 -5.259 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.461 -0.776 -7.001 1.00 0.01 H new ATOM 0 HB3 PRO B 552 8.769 -1.211 -7.135 1.00 0.01 H new ATOM 0 HG2 PRO B 552 10.328 0.831 -8.687 1.00 0.46 H new ATOM 0 HG3 PRO B 552 9.066 -0.250 -9.241 1.00 0.46 H new ATOM 0 HD2 PRO B 552 8.541 2.362 -8.790 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.335 1.140 -8.439 1.00 0.02 H new ATOM 1171 N ARG B 553 11.202 1.915 -5.861 1.00 0.00 N ATOM 1172 CA ARG B 553 12.483 2.259 -5.259 1.00 0.00 C ATOM 1173 C ARG B 553 12.267 2.791 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.957 2.403 -2.912 1.00 0.00 O ATOM 1175 CB ARG B 553 13.215 3.301 -6.110 1.00 0.01 C ATOM 1176 CG ARG B 553 14.645 3.557 -5.662 1.00 1.17 C ATOM 1177 CD ARG B 553 15.359 4.519 -6.598 1.00 1.73 C ATOM 1178 NE ARG B 553 16.763 4.695 -6.233 1.00 2.26 N ATOM 1179 CZ ARG B 553 17.534 5.674 -6.699 1.00 3.06 C ATOM 1180 NH1 ARG B 553 17.041 6.564 -7.550 1.00 3.50 N ATOM 1181 NH2 ARG B 553 18.799 5.762 -6.313 1.00 3.87 N ATOM 0 H ARG B 553 11.006 2.384 -6.745 1.00 0.00 H new ATOM 0 HA ARG B 553 13.098 1.361 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG B 553 13.222 2.970 -7.148 1.00 0.01 H new ATOM 0 HB3 ARG B 553 12.660 4.239 -6.078 1.00 0.01 H new ATOM 0 HG2 ARG B 553 14.643 3.965 -4.651 1.00 1.17 H new ATOM 0 HG3 ARG B 553 15.190 2.614 -5.624 1.00 1.17 H new ATOM 0 HD2 ARG B 553 15.294 4.146 -7.620 1.00 1.73 H new ATOM 0 HD3 ARG B 553 14.855 5.485 -6.578 1.00 1.73 H new ATOM 0 HE ARG B 553 17.177 4.027 -5.582 1.00 2.26 H new ATOM 0 HH11 ARG B 553 16.068 6.499 -7.849 1.00 3.50 H new ATOM 0 HH12 ARG B 553 17.635 7.313 -7.905 1.00 3.50 H new ATOM 0 HH21 ARG B 553 19.181 5.079 -5.659 1.00 3.87 H new ATOM 0 HH22 ARG B 553 19.390 6.513 -6.670 1.00 3.87 H new ATOM 1195 N PHE B 554 11.304 3.698 -3.717 1.00 0.00 N ATOM 1196 CA PHE B 554 10.769 4.142 -2.433 1.00 0.00 C ATOM 1197 C PHE B 554 10.406 2.963 -1.519 1.00 0.00 C ATOM 1198 O PHE B 554 10.935 2.836 -0.406 1.00 0.00 O ATOM 1199 CB PHE B 554 9.550 5.047 -2.622 1.00 0.03 C ATOM 1200 CG PHE B 554 9.083 5.674 -1.336 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.659 6.845 -0.873 1.00 0.40 C ATOM 1202 CD2 PHE B 554 8.059 5.097 -0.597 1.00 0.59 C ATOM 1203 CE1 PHE B 554 9.226 7.430 0.303 1.00 0.45 C ATOM 1204 CE2 PHE B 554 7.621 5.679 0.579 1.00 0.70 C ATOM 1205 CZ PHE B 554 8.232 6.820 1.052 1.00 0.48 C ATOM 0 H PHE B 554 10.865 4.154 -4.517 1.00 0.00 H new ATOM 0 HA PHE B 554 11.561 4.713 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.794 5.833 -3.336 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.735 4.466 -3.054 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.456 7.307 -1.437 1.00 0.40 H new ATOM 0 HD2 PHE B 554 7.599 4.184 -0.944 1.00 0.59 H new ATOM 0 HE1 PHE B 554 9.661 8.360 0.637 1.00 0.45 H new ATOM 0 HE2 PHE B 554 6.800 5.239 1.126 1.00 0.70 H new ATOM 0 HZ PHE B 554 7.937 7.238 2.003 1.00 0.48 H new ATOM 1215 N LEU B 555 9.492 2.112 -1.987 1.00 0.00 N ATOM 1216 CA LEU B 555 9.029 0.957 -1.221 1.00 0.00 C ATOM 1217 C LEU B 555 10.201 0.114 -0.794 1.00 0.00 C ATOM 1218 O LEU B 555 10.323 -0.251 0.377 1.00 0.00 O ATOM 1219 CB LEU B 555 8.063 0.114 -2.058 1.00 0.03 C ATOM 1220 CG LEU B 555 6.701 0.755 -2.333 1.00 0.54 C ATOM 1221 CD1 LEU B 555 5.881 -0.128 -3.260 1.00 1.49 C ATOM 1222 CD2 LEU B 555 5.955 1.000 -1.030 1.00 1.34 C ATOM 0 H LEU B 555 9.054 2.204 -2.904 1.00 0.00 H new ATOM 0 HA LEU B 555 8.506 1.317 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU B 555 8.538 -0.112 -3.012 1.00 0.03 H new ATOM 0 HB3 LEU B 555 7.902 -0.836 -1.549 1.00 0.03 H new ATOM 0 HG LEU B 555 6.861 1.716 -2.822 1.00 0.54 H new ATOM 0 HD11 LEU B 555 4.914 0.340 -3.447 1.00 1.49 H new ATOM 0 HD12 LEU B 555 6.411 -0.256 -4.204 1.00 1.49 H new ATOM 0 HD13 LEU B 555 5.729 -1.102 -2.794 1.00 1.49 H new ATOM 0 HD21 LEU B 555 4.989 1.456 -1.244 1.00 1.34 H new ATOM 0 HD22 LEU B 555 5.802 0.052 -0.514 1.00 1.34 H new ATOM 0 HD23 LEU B 555 6.539 1.668 -0.396 1.00 1.34 H new ATOM 1234 N ARG B 556 11.072 -0.176 -1.755 1.00 0.00 N ATOM 1235 CA ARG B 556 12.245 -1.010 -1.531 1.00 0.00 C ATOM 1236 C ARG B 556 13.132 -0.534 -0.371 1.00 0.00 C ATOM 1237 O ARG B 556 13.691 -1.351 0.381 1.00 0.00 O ATOM 1238 CB ARG B 556 13.076 -1.078 -2.814 1.00 0.02 C ATOM 1239 CG ARG B 556 14.329 -1.928 -2.686 1.00 1.02 C ATOM 1240 CD ARG B 556 15.130 -1.937 -3.979 1.00 1.14 C ATOM 1241 NE ARG B 556 16.373 -2.692 -3.845 1.00 1.74 N ATOM 1242 CZ ARG B 556 17.346 -2.681 -4.752 1.00 2.13 C ATOM 1243 NH1 ARG B 556 17.222 -1.963 -5.860 1.00 1.99 N ATOM 1244 NH2 ARG B 556 18.448 -3.393 -4.551 1.00 3.09 N ATOM 0 H ARG B 556 10.983 0.162 -2.713 1.00 0.00 H new ATOM 0 HA ARG B 556 11.874 -1.996 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG B 556 12.457 -1.478 -3.617 1.00 0.02 H new ATOM 0 HB3 ARG B 556 13.362 -0.067 -3.105 1.00 0.02 H new ATOM 0 HG2 ARG B 556 14.949 -1.545 -1.875 1.00 1.02 H new ATOM 0 HG3 ARG B 556 14.052 -2.948 -2.421 1.00 1.02 H new ATOM 0 HD2 ARG B 556 14.527 -2.370 -4.777 1.00 1.14 H new ATOM 0 HD3 ARG B 556 15.358 -0.912 -4.272 1.00 1.14 H new ATOM 0 HE ARG B 556 16.502 -3.260 -3.008 1.00 1.74 H new ATOM 0 HH11 ARG B 556 16.377 -1.415 -6.021 1.00 1.99 H new ATOM 0 HH12 ARG B 556 17.972 -1.959 -6.552 1.00 1.99 H new ATOM 0 HH21 ARG B 556 18.549 -3.948 -3.701 1.00 3.09 H new ATOM 0 HH22 ARG B 556 19.194 -3.385 -5.246 1.00 3.09 H new ATOM 1258 N ALA B 557 13.237 0.781 -0.208 1.00 0.00 N ATOM 1259 CA ALA B 557 14.100 1.333 0.837 1.00 0.00 C ATOM 1260 C ALA B 557 13.382 1.434 2.180 1.00 0.00 C ATOM 1261 O ALA B 557 14.029 1.658 3.196 1.00 0.00 O ATOM 1262 CB ALA B 557 14.620 2.698 0.416 1.00 0.00 C ATOM 0 H ALA B 557 12.747 1.475 -0.773 1.00 0.00 H new ATOM 0 HA ALA B 557 14.938 0.648 0.967 1.00 0.00 H new ATOM 0 HB1 ALA B 557 15.261 3.101 1.200 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.192 2.601 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.780 3.373 0.252 1.00 0.00 H new ATOM 1268 N HIS B 558 12.060 1.265 2.190 1.00 0.00 N ATOM 1269 CA HIS B 558 11.289 1.401 3.442 1.00 0.00 C ATOM 1270 C HIS B 558 10.361 0.208 3.752 1.00 0.00 C ATOM 1271 O HIS B 558 9.150 0.300 3.572 1.00 0.00 O ATOM 1272 CB HIS B 558 10.463 2.688 3.395 1.00 0.08 C ATOM 1273 CG HIS B 558 11.294 3.921 3.218 1.00 1.15 C ATOM 1274 ND1 HIS B 558 11.976 4.525 4.253 1.00 2.12 N ATOM 1275 CD2 HIS B 558 11.553 4.664 2.114 1.00 2.10 C ATOM 1276 CE1 HIS B 558 12.619 5.583 3.794 1.00 2.93 C ATOM 1277 NE2 HIS B 558 12.380 5.689 2.500 1.00 2.91 N ATOM 0 H HIS B 558 11.502 1.038 1.367 1.00 0.00 H new ATOM 0 HA HIS B 558 12.024 1.430 4.246 1.00 0.00 H new ATOM 0 HB2 HIS B 558 9.746 2.621 2.577 1.00 0.08 H new ATOM 0 HB3 HIS B 558 9.888 2.776 4.317 1.00 0.08 H new ATOM 0 HD1 HIS B 558 11.983 4.205 5.221 1.00 2.12 H new ATOM 0 HD2 HIS B 558 11.179 4.483 1.117 1.00 2.10 H new ATOM 0 HE1 HIS B 558 13.236 6.249 4.378 1.00 2.93 H new ATOM 1286 N TRP B 559 10.924 -0.884 4.260 1.00 0.00 N ATOM 1287 CA TRP B 559 10.154 -2.120 4.518 1.00 0.00 C ATOM 1288 C TRP B 559 8.849 -1.962 5.322 1.00 0.00 C ATOM 1289 O TRP B 559 7.801 -2.516 4.947 1.00 0.00 O ATOM 1290 CB TRP B 559 11.054 -3.138 5.221 1.00 0.02 C ATOM 1291 CG TRP B 559 11.752 -2.591 6.430 1.00 1.09 C ATOM 1292 CD1 TRP B 559 11.316 -2.646 7.723 1.00 2.27 C ATOM 1293 CD2 TRP B 559 13.014 -1.913 6.460 1.00 1.54 C ATOM 1294 NE1 TRP B 559 12.227 -2.040 8.555 1.00 2.97 N ATOM 1295 CE2 TRP B 559 13.278 -1.583 7.803 1.00 2.47 C ATOM 1296 CE3 TRP B 559 13.945 -1.553 5.483 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 14.432 -0.911 8.192 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 15.092 -0.885 5.871 1.00 2.76 C ATOM 1299 CH2 TRP B 559 15.327 -0.571 7.215 1.00 3.08 C ATOM 0 H TRP B 559 11.912 -0.949 4.505 1.00 0.00 H new ATOM 0 HA TRP B 559 9.833 -2.454 3.531 1.00 0.00 H new ATOM 0 HB2 TRP B 559 10.453 -3.998 5.517 1.00 0.02 H new ATOM 0 HB3 TRP B 559 11.800 -3.499 4.514 1.00 0.02 H new ATOM 0 HD1 TRP B 559 10.390 -3.100 8.045 1.00 2.27 H new ATOM 0 HE1 TRP B 559 12.136 -1.946 9.567 1.00 2.97 H new ATOM 0 HE3 TRP B 559 13.772 -1.792 4.444 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 14.615 -0.666 9.228 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 15.819 -0.601 5.125 1.00 2.76 H new ATOM 0 HH2 TRP B 559 16.233 -0.050 7.486 1.00 3.08 H new ATOM 1310 N LYS B 560 8.926 -1.243 6.438 1.00 0.00 N ATOM 1311 CA LYS B 560 7.766 -1.020 7.282 1.00 0.00 C ATOM 1312 C LYS B 560 6.626 -0.373 6.493 1.00 0.00 C ATOM 1313 O LYS B 560 5.460 -0.680 6.711 1.00 0.00 O ATOM 1314 CB LYS B 560 8.144 -0.141 8.476 1.00 0.01 C ATOM 1315 CG LYS B 560 8.790 1.177 8.081 1.00 1.26 C ATOM 1316 CD LYS B 560 9.336 1.925 9.289 1.00 1.83 C ATOM 1317 CE LYS B 560 8.224 2.540 10.128 1.00 2.58 C ATOM 1318 NZ LYS B 560 7.507 1.523 10.947 1.00 3.32 N ATOM 0 H LYS B 560 9.783 -0.806 6.776 1.00 0.00 H new ATOM 0 HA LYS B 560 7.421 -1.988 7.645 1.00 0.00 H new ATOM 0 HB2 LYS B 560 7.249 0.064 9.063 1.00 0.01 H new ATOM 0 HB3 LYS B 560 8.828 -0.693 9.120 1.00 0.01 H new ATOM 0 HG2 LYS B 560 9.599 0.988 7.375 1.00 1.26 H new ATOM 0 HG3 LYS B 560 8.058 1.801 7.568 1.00 1.26 H new ATOM 0 HD2 LYS B 560 9.920 1.241 9.905 1.00 1.83 H new ATOM 0 HD3 LYS B 560 10.014 2.710 8.954 1.00 1.83 H new ATOM 0 HE2 LYS B 560 8.646 3.301 10.785 1.00 2.58 H new ATOM 0 HE3 LYS B 560 7.513 3.043 9.473 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 7.363 1.891 11.909 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 6.585 1.316 10.513 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 8.073 0.651 10.991 1.00 3.32 H new ATOM 1332 N PHE B 561 6.957 0.519 5.571 1.00 0.00 N ATOM 1333 CA PHE B 561 5.915 1.089 4.729 1.00 0.00 C ATOM 1334 C PHE B 561 5.432 0.093 3.656 1.00 0.00 C ATOM 1335 O PHE B 561 4.233 -0.060 3.440 1.00 0.00 O ATOM 1336 CB PHE B 561 6.409 2.375 4.061 1.00 0.03 C ATOM 1337 CG PHE B 561 5.329 3.405 3.877 1.00 0.40 C ATOM 1338 CD1 PHE B 561 4.166 3.097 3.187 1.00 0.95 C ATOM 1339 CD2 PHE B 561 5.474 4.679 4.402 1.00 0.98 C ATOM 1340 CE1 PHE B 561 3.170 4.041 3.023 1.00 1.18 C ATOM 1341 CE2 PHE B 561 4.481 5.626 4.242 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.327 5.307 3.552 1.00 1.14 C ATOM 0 H PHE B 561 7.903 0.855 5.390 1.00 0.00 H new ATOM 0 HA PHE B 561 5.068 1.320 5.376 1.00 0.00 H new ATOM 0 HB2 PHE B 561 7.211 2.803 4.663 1.00 0.03 H new ATOM 0 HB3 PHE B 561 6.836 2.130 3.089 1.00 0.03 H new ATOM 0 HD1 PHE B 561 4.037 2.108 2.773 1.00 0.95 H new ATOM 0 HD2 PHE B 561 6.373 4.935 4.942 1.00 0.98 H new ATOM 0 HE1 PHE B 561 2.270 3.789 2.482 1.00 1.18 H new ATOM 0 HE2 PHE B 561 4.607 6.616 4.656 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.550 6.046 3.427 1.00 1.14 H new ATOM 1352 N LEU B 562 6.375 -0.578 2.996 1.00 0.00 N ATOM 1353 CA LEU B 562 6.061 -1.622 2.037 1.00 0.00 C ATOM 1354 C LEU B 562 5.078 -2.619 2.644 1.00 0.00 C ATOM 1355 O LEU B 562 3.985 -2.804 2.117 1.00 0.00 O ATOM 1356 CB LEU B 562 7.337 -2.348 1.607 1.00 0.03 C ATOM 1357 CG LEU B 562 7.122 -3.539 0.670 1.00 0.45 C ATOM 1358 CD1 LEU B 562 6.565 -3.075 -0.667 1.00 1.32 C ATOM 1359 CD2 LEU B 562 8.422 -4.304 0.473 1.00 1.23 C ATOM 0 H LEU B 562 7.374 -0.410 3.115 1.00 0.00 H new ATOM 0 HA LEU B 562 5.603 -1.161 1.162 1.00 0.00 H new ATOM 0 HB2 LEU B 562 7.995 -1.632 1.114 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.856 -2.697 2.500 1.00 0.03 H new ATOM 0 HG LEU B 562 6.395 -4.210 1.128 1.00 0.45 H new ATOM 0 HD11 LEU B 562 6.419 -3.936 -1.319 1.00 1.32 H new ATOM 0 HD12 LEU B 562 5.610 -2.574 -0.509 1.00 1.32 H new ATOM 0 HD13 LEU B 562 7.266 -2.382 -1.132 1.00 1.32 H new ATOM 0 HD21 LEU B 562 8.250 -5.147 -0.196 1.00 1.23 H new ATOM 0 HD22 LEU B 562 9.171 -3.642 0.038 1.00 1.23 H new ATOM 0 HD23 LEU B 562 8.778 -4.671 1.436 1.00 1.23 H new ATOM 1371 N LYS B 563 5.467 -3.250 3.752 1.00 0.00 N ATOM 1372 CA LYS B 563 4.599 -4.216 4.445 1.00 0.00 C ATOM 1373 C LYS B 563 3.183 -3.693 4.717 1.00 0.00 C ATOM 1374 O LYS B 563 2.198 -4.432 4.606 1.00 0.00 O ATOM 1375 CB LYS B 563 5.246 -4.640 5.765 1.00 0.03 C ATOM 1376 CG LYS B 563 6.581 -5.347 5.592 1.00 1.29 C ATOM 1377 CD LYS B 563 7.138 -5.843 6.920 1.00 1.53 C ATOM 1378 CE LYS B 563 7.615 -4.696 7.800 1.00 2.10 C ATOM 1379 NZ LYS B 563 6.488 -4.021 8.504 1.00 2.74 N ATOM 0 H LYS B 563 6.377 -3.113 4.193 1.00 0.00 H new ATOM 0 HA LYS B 563 4.493 -5.067 3.772 1.00 0.00 H new ATOM 0 HB2 LYS B 563 5.390 -3.758 6.389 1.00 0.03 H new ATOM 0 HB3 LYS B 563 4.562 -5.300 6.299 1.00 0.03 H new ATOM 0 HG2 LYS B 563 6.460 -6.190 4.912 1.00 1.29 H new ATOM 0 HG3 LYS B 563 7.296 -4.665 5.131 1.00 1.29 H new ATOM 0 HD2 LYS B 563 6.370 -6.409 7.447 1.00 1.53 H new ATOM 0 HD3 LYS B 563 7.967 -6.526 6.734 1.00 1.53 H new ATOM 0 HE2 LYS B 563 8.325 -5.075 8.535 1.00 2.10 H new ATOM 0 HE3 LYS B 563 8.147 -3.968 7.188 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 6.820 -3.654 9.419 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 6.137 -3.234 7.922 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 5.720 -4.703 8.663 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.411 5.074 1.00 0.00 N ATOM 1394 CA THR B 564 1.834 -1.783 5.448 1.00 0.00 C ATOM 1395 C THR B 564 0.949 -1.595 4.221 1.00 0.00 C ATOM 1396 O THR B 564 -0.273 -1.767 4.273 1.00 0.00 O ATOM 1397 CB THR B 564 2.066 -0.418 6.129 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.873 -0.587 7.301 1.00 1.17 O ATOM 1399 CG2 THR B 564 0.745 0.233 6.513 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.782 5.111 1.00 0.00 H new ATOM 0 HA THR B 564 1.336 -2.444 6.158 1.00 0.00 H new ATOM 0 HB THR B 564 2.580 0.231 5.419 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.795 -0.320 7.104 1.00 1.17 H new ATOM 0 HG21 THR B 564 0.938 1.193 6.991 1.00 1.24 H new ATOM 0 HG22 THR B 564 0.142 0.388 5.618 1.00 1.24 H new ATOM 0 HG23 THR B 564 0.208 -0.415 7.205 1.00 1.24 H new ATOM 1407 N VAL B 565 1.574 -1.224 3.117 1.00 0.00 N ATOM 1408 CA VAL B 565 0.882 -1.145 1.840 1.00 0.00 C ATOM 1409 C VAL B 565 0.351 -2.513 1.370 1.00 0.00 C ATOM 1410 O VAL B 565 -0.764 -2.604 0.858 1.00 0.00 O ATOM 1411 CB VAL B 565 1.788 -0.547 0.750 1.00 0.06 C ATOM 1412 CG1 VAL B 565 1.053 -0.481 -0.581 1.00 1.19 C ATOM 1413 CG2 VAL B 565 2.273 0.835 1.171 1.00 1.18 C ATOM 0 H VAL B 565 2.562 -0.972 3.078 1.00 0.00 H new ATOM 0 HA VAL B 565 0.027 -0.488 2.001 1.00 0.00 H new ATOM 0 HB VAL B 565 2.656 -1.194 0.623 1.00 0.06 H new ATOM 0 HG11 VAL B 565 1.710 -0.055 -1.339 1.00 1.19 H new ATOM 0 HG12 VAL B 565 0.755 -1.485 -0.882 1.00 1.19 H new ATOM 0 HG13 VAL B 565 0.167 0.145 -0.477 1.00 1.19 H new ATOM 0 HG21 VAL B 565 2.913 1.249 0.392 1.00 1.18 H new ATOM 0 HG22 VAL B 565 1.416 1.491 1.322 1.00 1.18 H new ATOM 0 HG23 VAL B 565 2.837 0.755 2.100 1.00 1.18 H new ATOM 1423 N VAL B 566 1.147 -3.561 1.549 1.00 0.00 N ATOM 1424 CA VAL B 566 0.756 -4.879 1.066 1.00 0.00 C ATOM 1425 C VAL B 566 -0.385 -5.447 1.904 1.00 0.00 C ATOM 1426 O VAL B 566 -1.413 -5.873 1.369 1.00 0.00 O ATOM 1427 CB VAL B 566 1.942 -5.865 1.088 1.00 0.04 C ATOM 1428 CG1 VAL B 566 1.538 -7.201 0.486 1.00 1.36 C ATOM 1429 CG2 VAL B 566 3.137 -5.284 0.349 1.00 1.36 C ATOM 0 H VAL B 566 2.053 -3.526 2.017 1.00 0.00 H new ATOM 0 HA VAL B 566 0.423 -4.756 0.035 1.00 0.00 H new ATOM 0 HB VAL B 566 2.230 -6.030 2.126 1.00 0.04 H new ATOM 0 HG11 VAL B 566 2.388 -7.883 0.510 1.00 1.36 H new ATOM 0 HG12 VAL B 566 0.715 -7.626 1.061 1.00 1.36 H new ATOM 0 HG13 VAL B 566 1.221 -7.054 -0.546 1.00 1.36 H new ATOM 0 HG21 VAL B 566 3.963 -5.995 0.376 1.00 1.36 H new ATOM 0 HG22 VAL B 566 2.863 -5.086 -0.687 1.00 1.36 H new ATOM 0 HG23 VAL B 566 3.443 -4.354 0.827 1.00 1.36 H new ATOM 1439 N ASN B 567 -0.203 -5.433 3.218 1.00 0.00 N ATOM 1440 CA ASN B 567 -1.296 -5.756 4.118 1.00 0.00 C ATOM 1441 C ASN B 567 -2.564 -4.942 3.802 1.00 0.00 C ATOM 1442 O ASN B 567 -3.674 -5.446 3.906 1.00 0.00 O ATOM 1443 CB ASN B 567 -0.871 -5.505 5.566 1.00 0.01 C ATOM 1444 CG ASN B 567 -1.952 -5.876 6.564 1.00 1.12 C ATOM 1445 OD1 ASN B 567 -2.102 -5.230 7.601 1.00 1.94 O ATOM 1446 ND2 ASN B 567 -2.708 -6.924 6.260 1.00 1.91 N ATOM 0 H ASN B 567 0.679 -5.205 3.677 1.00 0.00 H new ATOM 0 HA ASN B 567 -1.534 -6.810 3.978 1.00 0.00 H new ATOM 0 HB2 ASN B 567 0.030 -6.080 5.781 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -0.614 -4.453 5.688 1.00 0.01 H new ATOM 0 HD21 ASN B 567 -3.447 -7.222 6.897 1.00 1.91 H new ATOM 0 HD22 ASN B 567 -2.550 -7.432 5.390 1.00 1.91 H new ATOM 1453 N LYS B 568 -2.393 -3.681 3.422 1.00 0.00 N ATOM 1454 CA LYS B 568 -3.539 -2.830 3.119 1.00 0.00 C ATOM 1455 C LYS B 568 -4.156 -3.255 1.800 1.00 0.00 C ATOM 1456 O LYS B 568 -5.362 -3.142 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.112 -1.363 3.042 1.00 0.02 C ATOM 1458 CG LYS B 568 -4.215 -0.433 2.557 1.00 0.94 C ATOM 1459 CD LYS B 568 -3.674 0.937 2.178 1.00 1.74 C ATOM 1460 CE LYS B 568 -2.742 0.862 0.978 1.00 2.68 C ATOM 1461 NZ LYS B 568 -2.254 2.208 0.567 1.00 3.53 N ATOM 0 H LYS B 568 -1.485 -3.229 3.317 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.275 -2.937 3.916 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.781 -1.037 4.028 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -2.255 -1.277 2.373 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -4.713 -0.878 1.695 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -4.967 -0.323 3.338 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -4.504 1.606 1.953 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -3.141 1.365 3.027 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -1.891 0.226 1.219 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -3.263 0.394 0.143 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -1.330 2.114 0.099 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -2.934 2.637 -0.092 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -2.157 2.813 1.407 1.00 3.53 H new ATOM 1475 N LEU B 569 -3.316 -3.729 0.890 1.00 0.00 N ATOM 1476 CA LEU B 569 -3.775 -4.229 -0.391 1.00 0.00 C ATOM 1477 C LEU B 569 -4.584 -5.515 -0.158 1.00 0.00 C ATOM 1478 O LEU B 569 -5.572 -5.770 -0.842 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.514 -4.534 -1.211 1.00 0.05 C ATOM 1480 CG LEU B 569 -2.710 -4.761 -2.694 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -3.576 -5.992 -2.929 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -3.303 -3.512 -3.320 1.00 1.89 C ATOM 0 H LEU B 569 -2.306 -3.776 1.021 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.410 -3.512 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -1.815 -3.707 -1.082 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -2.040 -5.421 -0.790 1.00 0.05 H new ATOM 0 HG LEU B 569 -1.749 -4.952 -3.173 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -3.709 -6.144 -4.000 1.00 2.01 H new ATOM 0 HD12 LEU B 569 -3.090 -6.867 -2.496 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -4.549 -5.847 -2.459 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -3.445 -3.673 -4.389 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -4.264 -3.293 -2.855 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -2.626 -2.672 -3.167 1.00 1.89 H new ATOM 1494 N PHE B 570 -4.158 -6.320 0.812 1.00 0.00 N ATOM 1495 CA PHE B 570 -4.869 -7.553 1.146 1.00 0.00 C ATOM 1496 C PHE B 570 -6.245 -7.222 1.698 1.00 0.00 C ATOM 1497 O PHE B 570 -7.226 -7.900 1.395 1.00 0.00 O ATOM 1498 CB PHE B 570 -4.081 -8.377 2.168 1.00 0.02 C ATOM 1499 CG PHE B 570 -2.942 -9.150 1.569 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -3.163 -10.052 0.543 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -1.648 -8.970 2.031 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -2.114 -10.761 -0.010 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -0.596 -9.678 1.483 1.00 3.12 C ATOM 1504 CZ PHE B 570 -0.839 -10.586 0.458 1.00 3.77 C ATOM 0 H PHE B 570 -3.328 -6.143 1.378 1.00 0.00 H new ATOM 0 HA PHE B 570 -4.977 -8.145 0.237 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.691 -7.710 2.937 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -4.760 -9.072 2.663 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -4.166 -10.203 0.171 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -1.460 -8.267 2.829 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -2.300 -11.456 -0.815 1.00 3.25 H new ATOM 0 HE2 PHE B 570 0.409 -9.527 1.848 1.00 3.12 H new ATOM 0 HZ PHE B 570 -0.024 -11.152 0.032 1.00 3.77 H new ATOM 1514 N GLU B 571 -6.312 -6.169 2.507 1.00 0.00 N ATOM 1515 CA GLU B 571 -7.598 -5.734 3.025 1.00 0.00 C ATOM 1516 C GLU B 571 -8.563 -5.413 1.870 1.00 0.00 C ATOM 1517 O GLU B 571 -9.660 -5.949 1.804 1.00 0.00 O ATOM 1518 CB GLU B 571 -7.428 -4.507 3.922 1.00 0.01 C ATOM 1519 CG GLU B 571 -6.588 -4.769 5.162 1.00 1.13 C ATOM 1520 CD GLU B 571 -7.139 -5.895 6.014 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -8.031 -5.628 6.847 1.00 1.97 O ATOM 1522 OE2 GLU B 571 -6.679 -7.044 5.850 1.00 2.47 O ATOM 0 H GLU B 571 -5.511 -5.615 2.810 1.00 0.00 H new ATOM 0 HA GLU B 571 -8.019 -6.545 3.619 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.967 -3.706 3.344 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -8.412 -4.153 4.229 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -5.569 -5.012 4.861 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -6.536 -3.859 5.759 1.00 1.13 H new ATOM 1529 N PHE B 572 -8.131 -4.553 0.952 1.00 0.00 N ATOM 1530 CA PHE B 572 -8.975 -4.133 -0.142 1.00 0.00 C ATOM 1531 C PHE B 572 -9.404 -5.282 -1.087 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.083 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.278 -3.043 -0.959 1.00 0.03 C ATOM 1534 CG PHE B 572 -8.236 -1.703 -0.275 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -9.408 -1.067 0.105 1.00 1.03 C ATOM 1536 CD2 PHE B 572 -7.025 -1.083 -0.009 1.00 1.02 C ATOM 1537 CE1 PHE B 572 -9.372 0.162 0.737 1.00 1.23 C ATOM 1538 CE2 PHE B 572 -6.984 0.145 0.624 1.00 1.21 C ATOM 1539 CZ PHE B 572 -8.159 0.777 0.980 1.00 0.99 C ATOM 0 H PHE B 572 -7.199 -4.138 0.951 1.00 0.00 H new ATOM 0 HA PHE B 572 -9.885 -3.750 0.320 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.258 -3.361 -1.177 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.790 -2.936 -1.916 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -10.360 -1.537 -0.095 1.00 1.03 H new ATOM 0 HD2 PHE B 572 -6.103 -1.565 -0.300 1.00 1.02 H new ATOM 0 HE1 PHE B 572 -10.291 0.641 1.040 1.00 1.23 H new ATOM 0 HE2 PHE B 572 -6.033 0.610 0.840 1.00 1.21 H new ATOM 0 HZ PHE B 572 -8.130 1.750 1.447 1.00 0.99 H new ATOM 1549 N MET B 573 -8.818 -6.466 -0.944 1.00 0.00 N ATOM 1550 CA MET B 573 -9.197 -7.589 -1.780 1.00 0.00 C ATOM 1551 C MET B 573 -10.523 -8.156 -1.303 1.00 0.00 C ATOM 1552 O MET B 573 -11.112 -9.052 -1.931 1.00 0.00 O ATOM 1553 CB MET B 573 -8.124 -8.676 -1.759 1.00 0.03 C ATOM 1554 CG MET B 573 -6.744 -8.182 -2.158 1.00 0.87 C ATOM 1555 SD MET B 573 -5.733 -9.473 -2.907 1.00 1.42 S ATOM 1556 CE MET B 573 -5.877 -10.775 -1.685 1.00 2.11 C ATOM 0 H MET B 573 -8.086 -6.668 -0.263 1.00 0.00 H new ATOM 0 HA MET B 573 -9.300 -7.236 -2.806 1.00 0.00 H new ATOM 0 HB2 MET B 573 -8.072 -9.103 -0.757 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.421 -9.480 -2.433 1.00 0.03 H new ATOM 0 HG2 MET B 573 -6.848 -7.354 -2.860 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.234 -7.791 -1.278 1.00 0.87 H new ATOM 0 HE1 MET B 573 -4.985 -11.401 -1.713 1.00 2.11 H new ATOM 0 HE2 MET B 573 -5.979 -10.334 -0.694 1.00 2.11 H new ATOM 0 HE3 MET B 573 -6.754 -11.384 -1.904 1.00 2.11 H new ATOM 1566 N HIS B 574 -10.995 -7.608 -0.192 1.00 0.00 N ATOM 1567 CA HIS B 574 -12.310 -7.938 0.329 1.00 0.00 C ATOM 1568 C HIS B 574 -13.278 -6.776 0.172 1.00 0.00 C ATOM 1569 O HIS B 574 -14.434 -6.876 0.562 1.00 0.00 O ATOM 1570 CB HIS B 574 -12.208 -8.328 1.805 1.00 0.02 C ATOM 1571 CG HIS B 574 -11.465 -9.605 2.042 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -12.059 -10.732 2.570 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -10.169 -9.932 1.825 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -11.161 -11.695 2.670 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -10.006 -11.236 2.223 1.00 3.20 N ATOM 0 H HIS B 574 -10.481 -6.928 0.368 1.00 0.00 H new ATOM 0 HA HIS B 574 -12.694 -8.781 -0.246 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -11.713 -7.524 2.350 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -13.213 -8.421 2.217 1.00 0.02 H new ATOM 0 HD1 HIS B 574 -13.039 -10.810 2.841 1.00 2.28 H new ATOM 0 HD2 HIS B 574 -9.406 -9.287 1.415 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -11.340 -12.689 3.052 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.670 -0.387 1.00 0.00 N ATOM 1585 CA GLU B 575 -13.612 -4.499 -0.647 1.00 0.00 C ATOM 1586 C GLU B 575 -14.618 -4.804 -1.743 1.00 0.00 C ATOM 1587 O GLU B 575 -14.261 -5.306 -2.811 1.00 0.00 O ATOM 1588 CB GLU B 575 -12.743 -3.307 -1.049 1.00 0.02 C ATOM 1589 CG GLU B 575 -13.521 -2.010 -1.196 1.00 0.96 C ATOM 1590 CD GLU B 575 -14.276 -1.641 0.065 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -13.629 -1.196 1.036 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -15.516 -1.798 0.082 1.00 1.55 O ATOM 0 H GLU B 575 -11.810 -5.564 -0.669 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.149 -4.244 0.267 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -11.961 -3.169 -0.302 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -12.246 -3.532 -1.993 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -12.833 -1.204 -1.453 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -14.225 -2.104 -2.023 1.00 0.96 H new ATOM 1599 N THR B 576 -15.880 -4.491 -1.486 1.00 0.00 N ATOM 1600 CA THR B 576 -16.917 -4.801 -2.451 1.00 0.00 C ATOM 1601 C THR B 576 -17.120 -3.694 -3.488 1.00 0.00 C ATOM 1602 O THR B 576 -17.651 -3.946 -4.569 1.00 0.00 O ATOM 1603 CB THR B 576 -18.262 -5.068 -1.749 1.00 0.00 C ATOM 1604 OG1 THR B 576 -19.274 -5.355 -2.723 1.00 1.33 O ATOM 1605 CG2 THR B 576 -18.683 -3.870 -0.912 1.00 1.40 C ATOM 0 H THR B 576 -16.203 -4.032 -0.634 1.00 0.00 H new ATOM 0 HA THR B 576 -16.576 -5.696 -2.971 1.00 0.00 H new ATOM 0 HB THR B 576 -18.138 -5.927 -1.089 1.00 0.00 H new ATOM 0 HG1 THR B 576 -18.993 -5.012 -3.597 1.00 1.33 H new ATOM 0 HG21 THR B 576 -19.635 -4.082 -0.426 1.00 1.40 H new ATOM 0 HG22 THR B 576 -17.925 -3.671 -0.154 1.00 1.40 H new ATOM 0 HG23 THR B 576 -18.791 -2.997 -1.555 1.00 1.40 H new ATOM 1613 N HIS B 577 -16.701 -2.474 -3.170 1.00 0.00 N ATOM 1614 CA HIS B 577 -16.953 -1.348 -4.069 1.00 0.00 C ATOM 1615 C HIS B 577 -16.316 -1.545 -5.451 1.00 0.00 C ATOM 1616 O HIS B 577 -15.130 -1.834 -5.573 1.00 0.00 O ATOM 1617 CB HIS B 577 -16.450 -0.041 -3.460 1.00 0.04 C ATOM 1618 CG HIS B 577 -16.880 1.163 -4.240 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -16.170 1.663 -5.312 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -17.969 1.955 -4.113 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -16.806 2.709 -5.810 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -17.900 2.907 -5.100 1.00 2.79 N ATOM 0 H HIS B 577 -16.196 -2.239 -2.316 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.034 -1.298 -4.202 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -16.817 0.044 -2.437 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -15.362 -0.065 -3.407 1.00 0.04 H new ATOM 0 HD2 HIS B 577 -18.749 1.857 -3.372 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -16.485 3.301 -6.654 1.00 2.85 H new ATOM 0 HE2 HIS B 577 -18.584 3.647 -5.259 1.00 2.79 H new ATOM 1631 N ASP B 578 -17.138 -1.382 -6.485 1.00 0.00 N ATOM 1632 CA ASP B 578 -16.761 -1.695 -7.860 1.00 0.00 C ATOM 1633 C ASP B 578 -15.362 -1.178 -8.232 1.00 0.00 C ATOM 1634 O ASP B 578 -15.059 -0.002 -8.049 1.00 0.00 O ATOM 1635 CB ASP B 578 -17.794 -1.118 -8.829 1.00 0.00 C ATOM 1636 CG ASP B 578 -19.166 -1.738 -8.650 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -19.918 -1.272 -7.769 1.00 2.04 O ATOM 1638 OD2 ASP B 578 -19.487 -2.692 -9.390 1.00 2.15 O ATOM 0 H ASP B 578 -18.090 -1.027 -6.391 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.733 -2.782 -7.938 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -17.864 -0.040 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -17.457 -1.279 -9.853 1.00 0.00 H new ATOM 1643 N GLY B 579 -14.512 -2.082 -8.724 1.00 0.00 N ATOM 1644 CA GLY B 579 -13.191 -1.721 -9.219 1.00 0.00 C ATOM 1645 C GLY B 579 -12.037 -1.884 -8.242 1.00 0.00 C ATOM 1646 O GLY B 579 -10.927 -2.212 -8.633 1.00 0.00 O ATOM 0 H GLY B 579 -14.723 -3.078 -8.788 1.00 0.00 H new ATOM 0 HA2 GLY B 579 -12.980 -2.325 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY B 579 -13.220 -0.681 -9.544 1.00 0.00 H new ATOM 1650 N VAL B 580 -12.298 -1.635 -6.966 1.00 0.00 N ATOM 1651 CA VAL B 580 -11.264 -1.661 -5.945 1.00 0.00 C ATOM 1652 C VAL B 580 -10.474 -2.960 -5.926 1.00 0.00 C ATOM 1653 O VAL B 580 -9.241 -2.942 -5.857 1.00 0.00 O ATOM 1654 CB VAL B 580 -11.863 -1.424 -4.545 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -10.765 -1.362 -3.492 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -12.697 -0.151 -4.534 1.00 1.29 C ATOM 0 H VAL B 580 -13.228 -1.411 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.578 -0.854 -6.203 1.00 0.00 H new ATOM 0 HB VAL B 580 -12.515 -2.263 -4.302 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -11.210 -1.194 -2.511 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -10.215 -2.303 -3.484 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -10.083 -0.545 -3.725 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -13.113 0.003 -3.538 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -12.068 0.699 -4.799 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -13.508 -0.241 -5.256 1.00 1.29 H new ATOM 1666 N GLN B 581 -11.181 -4.086 -5.981 1.00 0.00 N ATOM 1667 CA GLN B 581 -10.528 -5.395 -5.966 1.00 0.00 C ATOM 1668 C GLN B 581 -9.562 -5.579 -7.142 1.00 0.00 C ATOM 1669 O GLN B 581 -8.472 -6.118 -6.987 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.586 -6.499 -5.989 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.538 -6.399 -7.170 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.690 -7.382 -7.083 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -14.194 -7.855 -8.102 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -14.121 -7.685 -5.864 1.00 1.99 N ATOM 0 H GLN B 581 -12.199 -4.120 -6.036 1.00 0.00 H new ATOM 0 HA GLN B 581 -9.941 -5.456 -5.050 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -11.088 -7.468 -6.014 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -12.161 -6.460 -5.064 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -12.935 -5.385 -7.226 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -11.985 -6.576 -8.092 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -13.674 -7.269 -5.047 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -14.899 -8.333 -5.745 1.00 1.99 H new ATOM 1683 N ASP B 582 -9.981 -5.145 -8.322 1.00 0.00 N ATOM 1684 CA ASP B 582 -9.101 -5.107 -9.474 1.00 0.00 C ATOM 1685 C ASP B 582 -7.887 -4.203 -9.244 1.00 0.00 C ATOM 1686 O ASP B 582 -6.775 -4.569 -9.598 1.00 0.00 O ATOM 1687 CB ASP B 582 -9.875 -4.632 -10.704 1.00 0.00 C ATOM 1688 CG ASP B 582 -9.005 -4.562 -11.944 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -8.401 -3.495 -12.186 1.00 2.23 O ATOM 1690 OD2 ASP B 582 -8.928 -5.573 -12.673 1.00 1.15 O ATOM 0 H ASP B 582 -10.928 -4.814 -8.504 1.00 0.00 H new ATOM 0 HA ASP B 582 -8.731 -6.119 -9.636 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.710 -5.308 -10.887 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -10.299 -3.648 -10.505 1.00 0.00 H new ATOM 1695 N MET B 583 -8.111 -3.035 -8.639 1.00 0.00 N ATOM 1696 CA MET B 583 -7.013 -2.149 -8.291 1.00 0.00 C ATOM 1697 C MET B 583 -6.063 -2.836 -7.325 1.00 0.00 C ATOM 1698 O MET B 583 -4.844 -2.842 -7.539 1.00 0.00 O ATOM 1699 CB MET B 583 -7.543 -0.853 -7.674 1.00 0.02 C ATOM 1700 CG MET B 583 -6.447 0.085 -7.190 1.00 1.14 C ATOM 1701 SD MET B 583 -5.229 0.449 -8.470 1.00 1.87 S ATOM 1702 CE MET B 583 -6.264 1.194 -9.727 1.00 2.58 C ATOM 0 H MET B 583 -9.036 -2.688 -8.384 1.00 0.00 H new ATOM 0 HA MET B 583 -6.469 -1.904 -9.203 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.155 -0.333 -8.411 1.00 0.02 H new ATOM 0 HB3 MET B 583 -8.195 -1.100 -6.836 1.00 0.02 H new ATOM 0 HG2 MET B 583 -6.897 1.017 -6.846 1.00 1.14 H new ATOM 0 HG3 MET B 583 -5.944 -0.362 -6.332 1.00 1.14 H new ATOM 0 HE1 MET B 583 -6.230 0.588 -10.632 1.00 2.58 H new ATOM 0 HE2 MET B 583 -7.291 1.250 -9.366 1.00 2.58 H new ATOM 0 HE3 MET B 583 -5.902 2.198 -9.949 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.622 -3.418 -6.266 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.814 -4.058 -5.233 1.00 0.00 C ATOM 1714 C ALA B 584 -4.912 -5.143 -5.814 1.00 0.00 C ATOM 1715 O ALA B 584 -3.735 -5.231 -5.460 1.00 0.00 O ATOM 1716 CB ALA B 584 -6.714 -4.641 -4.152 1.00 0.03 C ATOM 0 H ALA B 584 -7.628 -3.459 -6.102 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.170 -3.296 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.101 -5.116 -3.386 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.305 -3.844 -3.701 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.381 -5.381 -4.594 1.00 0.03 H new ATOM 1722 N CYS B 585 -5.453 -5.954 -6.719 1.00 0.00 N ATOM 1723 CA CYS B 585 -4.675 -7.046 -7.273 1.00 0.00 C ATOM 1724 C CYS B 585 -3.637 -6.556 -8.267 1.00 0.00 C ATOM 1725 O CYS B 585 -2.510 -7.048 -8.286 1.00 0.00 O ATOM 1726 CB CYS B 585 -5.596 -8.061 -7.950 1.00 0.01 C ATOM 1727 SG CYS B 585 -4.731 -9.473 -8.677 1.00 1.50 S ATOM 0 H CYS B 585 -6.406 -5.876 -7.075 1.00 0.00 H new ATOM 0 HA CYS B 585 -4.149 -7.522 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -6.316 -8.427 -7.218 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -6.164 -7.556 -8.731 1.00 0.01 H new ATOM 0 HG CYS B 585 -5.450 -10.546 -8.528 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.026 -5.592 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.141 -5.026 -10.109 1.00 0.00 C ATOM 1735 C ASP B 586 -1.897 -4.397 -9.488 1.00 0.00 C ATOM 1736 O ASP B 586 -0.785 -4.635 -9.950 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.885 -3.981 -10.944 1.00 0.01 C ATOM 1738 CG ASP B 586 -3.017 -3.397 -12.043 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -2.298 -2.413 -11.770 1.00 1.98 O ATOM 1740 OD2 ASP B 586 -3.057 -3.925 -13.174 1.00 0.87 O ATOM 0 H ASP B 586 -4.961 -5.184 -9.092 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.818 -5.845 -10.752 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.770 -4.437 -11.387 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -4.231 -3.179 -10.293 1.00 0.01 H new ATOM 1745 N THR B 587 -2.103 -3.607 -8.433 1.00 0.00 N ATOM 1746 CA THR B 587 -1.033 -3.003 -7.668 1.00 0.00 C ATOM 1747 C THR B 587 -0.170 -4.074 -7.030 1.00 0.00 C ATOM 1748 O THR B 587 1.061 -3.979 -7.011 1.00 0.00 O ATOM 1749 CB THR B 587 -1.581 -2.070 -6.571 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.452 -1.092 -7.150 1.00 1.24 O ATOM 1751 CG2 THR B 587 -0.447 -1.370 -5.838 1.00 1.30 C ATOM 0 H THR B 587 -3.034 -3.371 -8.089 1.00 0.00 H new ATOM 0 HA THR B 587 -0.432 -2.411 -8.358 1.00 0.00 H new ATOM 0 HB THR B 587 -2.137 -2.676 -5.856 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.312 -1.508 -7.368 1.00 1.24 H new ATOM 0 HG21 THR B 587 -0.859 -0.717 -5.069 1.00 1.30 H new ATOM 0 HG22 THR B 587 0.200 -2.114 -5.374 1.00 1.30 H new ATOM 0 HG23 THR B 587 0.132 -0.776 -6.546 1.00 1.30 H new ATOM 1759 N PHE B 588 -0.813 -5.108 -6.515 1.00 0.00 N ATOM 1760 CA PHE B 588 -0.096 -6.177 -5.828 1.00 0.00 C ATOM 1761 C PHE B 588 0.882 -6.874 -6.766 1.00 0.00 C ATOM 1762 O PHE B 588 1.940 -7.343 -6.346 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.082 -7.192 -5.246 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.422 -8.340 -4.532 1.00 0.16 C ATOM 1765 CD1 PHE B 588 0.010 -8.200 -3.223 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.234 -9.555 -5.170 1.00 0.45 C ATOM 1767 CE1 PHE B 588 0.618 -9.252 -2.563 1.00 0.49 C ATOM 1768 CE2 PHE B 588 0.375 -10.610 -4.516 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.793 -10.463 -3.211 1.00 0.53 C ATOM 0 H PHE B 588 -1.824 -5.233 -6.557 1.00 0.00 H new ATOM 0 HA PHE B 588 0.474 -5.729 -5.014 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.749 -6.680 -4.552 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.702 -7.586 -6.052 1.00 0.02 H new ATOM 0 HD1 PHE B 588 -0.130 -7.259 -2.712 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -0.567 -9.680 -6.190 1.00 0.45 H new ATOM 0 HE1 PHE B 588 0.956 -9.129 -1.544 1.00 0.49 H new ATOM 0 HE2 PHE B 588 0.523 -11.549 -5.028 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.256 -11.291 -2.695 1.00 0.53 H new ATOM 1779 N ILE B 589 0.546 -6.951 -8.043 1.00 0.00 N ATOM 1780 CA ILE B 589 1.425 -7.698 -8.902 1.00 0.00 C ATOM 1781 C ILE B 589 2.628 -6.843 -9.281 1.00 0.00 C ATOM 1782 O ILE B 589 3.743 -7.345 -9.373 1.00 0.00 O ATOM 1783 CB ILE B 589 0.720 -8.215 -10.180 1.00 0.03 C ATOM 1784 CG1 ILE B 589 1.670 -9.091 -10.999 1.00 1.34 C ATOM 1785 CG2 ILE B 589 0.205 -7.062 -11.025 1.00 1.31 C ATOM 1786 CD1 ILE B 589 2.028 -10.397 -10.324 1.00 1.97 C ATOM 0 H ILE B 589 -0.275 -6.533 -8.480 1.00 0.00 H new ATOM 0 HA ILE B 589 1.750 -8.575 -8.342 1.00 0.00 H new ATOM 0 HB ILE B 589 -0.134 -8.818 -9.872 1.00 0.03 H new ATOM 0 HG12 ILE B 589 1.211 -9.305 -11.964 1.00 1.34 H new ATOM 0 HG13 ILE B 589 2.585 -8.532 -11.198 1.00 1.34 H new ATOM 0 HG21 ILE B 589 -0.285 -7.454 -11.916 1.00 1.31 H new ATOM 0 HG22 ILE B 589 -0.509 -6.477 -10.446 1.00 1.31 H new ATOM 0 HG23 ILE B 589 1.040 -6.426 -11.321 1.00 1.31 H new ATOM 0 HD11 ILE B 589 2.704 -10.964 -10.964 1.00 1.97 H new ATOM 0 HD12 ILE B 589 2.516 -10.192 -9.371 1.00 1.97 H new ATOM 0 HD13 ILE B 589 1.122 -10.977 -10.150 1.00 1.97 H new ATOM 1798 N LYS B 590 2.395 -5.545 -9.461 1.00 0.00 N ATOM 1799 CA LYS B 590 3.472 -4.610 -9.741 1.00 0.00 C ATOM 1800 C LYS B 590 4.480 -4.704 -8.596 1.00 0.00 C ATOM 1801 O LYS B 590 5.668 -4.885 -8.812 1.00 0.00 O ATOM 1802 CB LYS B 590 2.934 -3.181 -9.866 1.00 0.01 C ATOM 1803 CG LYS B 590 1.979 -2.984 -11.033 1.00 0.99 C ATOM 1804 CD LYS B 590 2.688 -3.123 -12.374 1.00 1.52 C ATOM 1805 CE LYS B 590 3.440 -1.855 -12.753 1.00 2.04 C ATOM 1806 NZ LYS B 590 4.615 -1.608 -11.871 1.00 2.62 N ATOM 0 H LYS B 590 1.468 -5.121 -9.417 1.00 0.00 H new ATOM 0 HA LYS B 590 3.949 -4.861 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.423 -2.913 -8.941 1.00 0.01 H new ATOM 0 HB3 LYS B 590 3.774 -2.495 -9.976 1.00 0.01 H new ATOM 0 HG2 LYS B 590 1.173 -3.715 -10.970 1.00 0.99 H new ATOM 0 HG3 LYS B 590 1.520 -1.998 -10.965 1.00 0.99 H new ATOM 0 HD2 LYS B 590 3.386 -3.959 -12.331 1.00 1.52 H new ATOM 0 HD3 LYS B 590 1.957 -3.357 -13.148 1.00 1.52 H new ATOM 0 HE2 LYS B 590 3.775 -1.930 -13.788 1.00 2.04 H new ATOM 0 HE3 LYS B 590 2.762 -1.003 -12.698 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 5.357 -1.118 -12.410 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 4.326 -1.018 -11.065 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 4.984 -2.516 -11.521 1.00 2.62 H new ATOM 1820 N ILE B 591 3.973 -4.618 -7.375 1.00 0.00 N ATOM 1821 CA ILE B 591 4.790 -4.623 -6.164 1.00 0.00 C ATOM 1822 C ILE B 591 5.548 -5.936 -5.968 1.00 0.00 C ATOM 1823 O ILE B 591 6.730 -5.936 -5.631 1.00 0.00 O ATOM 1824 CB ILE B 591 3.932 -4.348 -4.912 1.00 0.04 C ATOM 1825 CG1 ILE B 591 3.276 -2.969 -5.014 1.00 1.27 C ATOM 1826 CG2 ILE B 591 4.780 -4.447 -3.650 1.00 1.28 C ATOM 1827 CD1 ILE B 591 2.302 -2.674 -3.893 1.00 1.96 C ATOM 0 H ILE B 591 2.972 -4.542 -7.192 1.00 0.00 H new ATOM 0 HA ILE B 591 5.521 -3.825 -6.295 1.00 0.00 H new ATOM 0 HB ILE B 591 3.147 -5.102 -4.855 1.00 0.04 H new ATOM 0 HG12 ILE B 591 4.054 -2.206 -5.018 1.00 1.27 H new ATOM 0 HG13 ILE B 591 2.752 -2.895 -5.967 1.00 1.27 H new ATOM 0 HG21 ILE B 591 4.158 -4.250 -2.777 1.00 1.28 H new ATOM 0 HG22 ILE B 591 5.204 -5.448 -3.574 1.00 1.28 H new ATOM 0 HG23 ILE B 591 5.585 -3.714 -3.694 1.00 1.28 H new ATOM 0 HD11 ILE B 591 1.877 -1.680 -4.032 1.00 1.96 H new ATOM 0 HD12 ILE B 591 1.502 -3.415 -3.901 1.00 1.96 H new ATOM 0 HD13 ILE B 591 2.824 -2.715 -2.937 1.00 1.96 H new ATOM 1839 N ALA B 592 4.879 -7.057 -6.187 1.00 0.00 N ATOM 1840 CA ALA B 592 5.545 -8.354 -6.071 1.00 0.00 C ATOM 1841 C ALA B 592 6.652 -8.529 -7.105 1.00 0.00 C ATOM 1842 O ALA B 592 7.695 -9.084 -6.796 1.00 0.00 O ATOM 1843 CB ALA B 592 4.527 -9.478 -6.199 1.00 0.00 C ATOM 0 H ALA B 592 3.892 -7.101 -6.442 1.00 0.00 H new ATOM 0 HA ALA B 592 6.011 -8.393 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.033 -10.439 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.783 -9.386 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.035 -9.414 -7.170 1.00 0.00 H new ATOM 1849 N GLN B 593 6.438 -8.064 -8.332 1.00 0.00 N ATOM 1850 CA GLN B 593 7.525 -8.106 -9.312 1.00 0.00 C ATOM 1851 C GLN B 593 8.701 -7.236 -8.825 1.00 0.00 C ATOM 1852 O GLN B 593 9.755 -7.732 -8.459 1.00 0.00 O ATOM 1853 CB GLN B 593 7.029 -7.619 -10.676 1.00 0.01 C ATOM 1854 CG GLN B 593 8.119 -7.538 -11.735 1.00 1.09 C ATOM 1855 CD GLN B 593 8.803 -8.869 -11.975 1.00 1.64 C ATOM 1856 OE1 GLN B 593 9.802 -9.192 -11.334 1.00 2.36 O ATOM 1857 NE2 GLN B 593 8.265 -9.651 -12.905 1.00 2.26 N ATOM 0 H GLN B 593 5.559 -7.668 -8.666 1.00 0.00 H new ATOM 0 HA GLN B 593 7.868 -9.135 -9.418 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.244 -8.289 -11.027 1.00 0.01 H new ATOM 0 HB3 GLN B 593 6.578 -6.634 -10.557 1.00 0.01 H new ATOM 0 HG2 GLN B 593 7.685 -7.183 -12.670 1.00 1.09 H new ATOM 0 HG3 GLN B 593 8.863 -6.802 -11.429 1.00 1.09 H new ATOM 0 HE21 GLN B 593 7.436 -9.343 -13.413 1.00 2.26 H new ATOM 0 HE22 GLN B 593 8.681 -10.559 -13.111 1.00 2.26 H new ATOM 1866 N LYS B 594 8.488 -5.926 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.502 -4.951 -8.485 1.00 0.00 C ATOM 1868 C LYS B 594 10.150 -5.101 -7.091 1.00 0.00 C ATOM 1869 O LYS B 594 11.267 -4.649 -6.894 1.00 0.00 O ATOM 1870 CB LYS B 594 8.919 -3.541 -8.606 1.00 0.01 C ATOM 1871 CG LYS B 594 8.858 -3.014 -10.033 1.00 0.52 C ATOM 1872 CD LYS B 594 7.886 -3.810 -10.890 1.00 1.21 C ATOM 1873 CE LYS B 594 7.755 -3.212 -12.281 1.00 1.59 C ATOM 1874 NZ LYS B 594 6.850 -4.017 -13.148 1.00 2.19 N ATOM 0 H LYS B 594 7.593 -5.510 -9.095 1.00 0.00 H new ATOM 0 HA LYS B 594 10.309 -5.136 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS B 594 7.913 -3.538 -8.186 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.518 -2.859 -8.003 1.00 0.01 H new ATOM 0 HG2 LYS B 594 8.557 -1.966 -10.021 1.00 0.52 H new ATOM 0 HG3 LYS B 594 9.852 -3.055 -10.478 1.00 0.52 H new ATOM 0 HD2 LYS B 594 8.227 -4.842 -10.967 1.00 1.21 H new ATOM 0 HD3 LYS B 594 6.908 -3.833 -10.408 1.00 1.21 H new ATOM 0 HE2 LYS B 594 7.373 -2.194 -12.204 1.00 1.59 H new ATOM 0 HE3 LYS B 594 8.740 -3.149 -12.744 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 6.787 -3.576 -14.088 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 7.227 -4.982 -13.242 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 5.903 -4.056 -12.720 1.00 2.19 H new ATOM 1888 N CYS B 595 9.477 -5.738 -6.134 1.00 0.00 N ATOM 1889 CA CYS B 595 10.052 -5.877 -4.792 1.00 0.00 C ATOM 1890 C CYS B 595 10.209 -7.317 -4.325 1.00 0.00 C ATOM 1891 O CYS B 595 10.280 -7.598 -3.130 1.00 0.00 O ATOM 1892 CB CYS B 595 9.196 -5.110 -3.783 1.00 0.01 C ATOM 1893 SG CYS B 595 9.099 -3.332 -4.102 1.00 1.26 S ATOM 0 H CYS B 595 8.555 -6.158 -6.255 1.00 0.00 H new ATOM 0 HA CYS B 595 11.058 -5.462 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS B 595 8.188 -5.525 -3.787 1.00 0.01 H new ATOM 0 HB3 CYS B 595 9.602 -5.268 -2.784 1.00 0.01 H new ATOM 0 HG CYS B 595 8.352 -2.769 -3.199 1.00 1.26 H new ATOM 1899 N ARG B 596 10.321 -8.220 -5.288 1.00 0.00 N ATOM 1900 CA ARG B 596 10.319 -9.659 -5.026 1.00 0.00 C ATOM 1901 C ARG B 596 11.258 -10.139 -3.902 1.00 0.00 C ATOM 1902 O ARG B 596 10.905 -11.049 -3.147 1.00 0.00 O ATOM 1903 CB ARG B 596 10.659 -10.411 -6.314 1.00 0.01 C ATOM 1904 CG ARG B 596 11.997 -10.012 -6.915 1.00 1.21 C ATOM 1905 CD ARG B 596 12.406 -10.953 -8.036 1.00 1.42 C ATOM 1906 NE ARG B 596 11.398 -11.026 -9.090 1.00 2.09 N ATOM 1907 CZ ARG B 596 11.404 -11.946 -10.050 1.00 2.60 C ATOM 1908 NH1 ARG B 596 12.358 -12.865 -10.087 1.00 2.53 N ATOM 1909 NH2 ARG B 596 10.452 -11.947 -10.974 1.00 3.58 N ATOM 0 H ARG B 596 10.416 -7.980 -6.275 1.00 0.00 H new ATOM 0 HA ARG B 596 9.311 -9.878 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG B 596 10.667 -11.481 -6.109 1.00 0.01 H new ATOM 0 HB3 ARG B 596 9.873 -10.233 -7.048 1.00 0.01 H new ATOM 0 HG2 ARG B 596 11.936 -8.993 -7.298 1.00 1.21 H new ATOM 0 HG3 ARG B 596 12.762 -10.015 -6.138 1.00 1.21 H new ATOM 0 HD2 ARG B 596 13.352 -10.618 -8.462 1.00 1.42 H new ATOM 0 HD3 ARG B 596 12.576 -11.949 -7.628 1.00 1.42 H new ATOM 0 HE ARG B 596 10.649 -10.334 -9.090 1.00 2.09 H new ATOM 0 HH11 ARG B 596 13.091 -12.868 -9.378 1.00 2.53 H new ATOM 0 HH12 ARG B 596 12.359 -13.569 -10.825 1.00 2.53 H new ATOM 0 HH21 ARG B 596 9.715 -11.242 -10.948 1.00 3.58 H new ATOM 0 HH22 ARG B 596 10.457 -12.653 -11.710 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.558 -3.790 1.00 0.00 N ATOM 1924 CA ARG B 597 13.429 -10.038 -2.802 1.00 0.00 C ATOM 1925 C ARG B 597 13.025 -9.745 -1.374 1.00 0.00 C ATOM 1926 O ARG B 597 13.343 -10.504 -0.456 1.00 0.00 O ATOM 1927 CB ARG B 597 14.804 -9.434 -3.082 1.00 0.01 C ATOM 1928 CG ARG B 597 15.912 -10.016 -2.217 1.00 1.27 C ATOM 1929 CD ARG B 597 17.265 -9.422 -2.570 1.00 1.71 C ATOM 1930 NE ARG B 597 17.280 -7.970 -2.426 1.00 2.17 N ATOM 1931 CZ ARG B 597 18.316 -7.206 -2.760 1.00 2.92 C ATOM 1932 NH1 ARG B 597 19.418 -7.755 -3.255 1.00 3.29 N ATOM 1933 NH2 ARG B 597 18.252 -5.891 -2.599 1.00 3.74 N ATOM 0 H ARG B 597 12.766 -8.770 -4.356 1.00 0.00 H new ATOM 0 HA ARG B 597 13.466 -11.122 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG B 597 15.054 -9.590 -4.131 1.00 0.01 H new ATOM 0 HB3 ARG B 597 14.758 -8.357 -2.923 1.00 0.01 H new ATOM 0 HG2 ARG B 597 15.693 -9.825 -1.166 1.00 1.27 H new ATOM 0 HG3 ARG B 597 15.944 -11.098 -2.345 1.00 1.27 H new ATOM 0 HD2 ARG B 597 18.031 -9.858 -1.928 1.00 1.71 H new ATOM 0 HD3 ARG B 597 17.521 -9.687 -3.596 1.00 1.71 H new ATOM 0 HE ARG B 597 16.449 -7.515 -2.048 1.00 2.17 H new ATOM 0 HH11 ARG B 597 19.472 -8.766 -3.380 1.00 3.29 H new ATOM 0 HH12 ARG B 597 20.211 -7.166 -3.510 1.00 3.29 H new ATOM 0 HH21 ARG B 597 17.407 -5.464 -2.218 1.00 3.74 H new ATOM 0 HH22 ARG B 597 19.048 -5.306 -2.856 1.00 3.74 H new ATOM 1947 N HIS B 598 12.337 -8.627 -1.191 1.00 0.00 N ATOM 1948 CA HIS B 598 11.990 -8.130 0.136 1.00 0.00 C ATOM 1949 C HIS B 598 10.947 -8.999 0.816 1.00 0.00 C ATOM 1950 O HIS B 598 10.598 -8.764 1.981 1.00 0.00 O ATOM 1951 CB HIS B 598 11.499 -6.685 0.053 1.00 0.02 C ATOM 1952 CG HIS B 598 12.615 -5.694 -0.048 1.00 0.83 C ATOM 1953 ND1 HIS B 598 13.207 -5.115 1.055 1.00 1.71 N ATOM 1954 CD2 HIS B 598 13.258 -5.189 -1.126 1.00 1.62 C ATOM 1955 CE1 HIS B 598 14.167 -4.300 0.659 1.00 2.14 C ATOM 1956 NE2 HIS B 598 14.220 -4.327 -0.659 1.00 2.04 N ATOM 0 H HIS B 598 12.004 -8.039 -1.955 1.00 0.00 H new ATOM 0 HA HIS B 598 12.895 -8.168 0.742 1.00 0.00 H new ATOM 0 HB2 HIS B 598 10.846 -6.578 -0.813 1.00 0.02 H new ATOM 0 HB3 HIS B 598 10.899 -6.460 0.935 1.00 0.02 H new ATOM 0 HD1 HIS B 598 12.944 -5.289 2.025 1.00 1.71 H new ATOM 0 HD2 HIS B 598 13.053 -5.421 -2.161 1.00 1.62 H new ATOM 0 HE1 HIS B 598 14.802 -3.711 1.305 1.00 2.14 H new ATOM 1965 N PHE B 599 10.462 -10.003 0.091 1.00 0.00 N ATOM 1966 CA PHE B 599 9.402 -10.868 0.596 1.00 0.00 C ATOM 1967 C PHE B 599 9.970 -12.221 0.987 1.00 0.00 C ATOM 1968 O PHE B 599 9.341 -12.989 1.718 1.00 0.00 O ATOM 1969 CB PHE B 599 8.307 -11.044 -0.457 1.00 0.06 C ATOM 1970 CG PHE B 599 7.466 -9.817 -0.664 1.00 1.01 C ATOM 1971 CD1 PHE B 599 7.849 -8.843 -1.570 1.00 1.40 C ATOM 1972 CD2 PHE B 599 6.291 -9.640 0.048 1.00 1.94 C ATOM 1973 CE1 PHE B 599 7.075 -7.713 -1.763 1.00 2.28 C ATOM 1974 CE2 PHE B 599 5.513 -8.513 -0.139 1.00 2.87 C ATOM 1975 CZ PHE B 599 5.906 -7.548 -1.047 1.00 2.95 C ATOM 0 H PHE B 599 10.786 -10.237 -0.847 1.00 0.00 H new ATOM 0 HA PHE B 599 8.965 -10.399 1.478 1.00 0.00 H new ATOM 0 HB2 PHE B 599 8.768 -11.322 -1.405 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.661 -11.871 -0.162 1.00 0.06 H new ATOM 0 HD1 PHE B 599 8.763 -8.967 -2.133 1.00 1.40 H new ATOM 0 HD2 PHE B 599 5.979 -10.392 0.758 1.00 1.94 H new ATOM 0 HE1 PHE B 599 7.385 -6.960 -2.473 1.00 2.28 H new ATOM 0 HE2 PHE B 599 4.600 -8.387 0.423 1.00 2.87 H new ATOM 0 HZ PHE B 599 5.300 -6.667 -1.196 1.00 2.95 H new ATOM 1985 N VAL B 600 11.173 -12.490 0.491 1.00 0.00 N ATOM 1986 CA VAL B 600 11.843 -13.767 0.675 1.00 0.00 C ATOM 1987 C VAL B 600 12.989 -13.655 1.697 1.00 0.00 C ATOM 1988 O VAL B 600 13.376 -14.627 2.344 1.00 0.00 O ATOM 1989 CB VAL B 600 12.407 -14.303 -0.656 1.00 0.01 C ATOM 1990 CG1 VAL B 600 13.031 -15.676 -0.463 1.00 1.42 C ATOM 1991 CG2 VAL B 600 11.316 -14.348 -1.716 1.00 1.42 C ATOM 0 H VAL B 600 11.714 -11.819 -0.055 1.00 0.00 H new ATOM 0 HA VAL B 600 11.094 -14.463 1.051 1.00 0.00 H new ATOM 0 HB VAL B 600 13.188 -13.624 -0.997 1.00 0.01 H new ATOM 0 HG11 VAL B 600 13.422 -16.035 -1.415 1.00 1.42 H new ATOM 0 HG12 VAL B 600 13.843 -15.608 0.261 1.00 1.42 H new ATOM 0 HG13 VAL B 600 12.275 -16.371 -0.096 1.00 1.42 H new ATOM 0 HG21 VAL B 600 11.731 -14.729 -2.649 1.00 1.42 H new ATOM 0 HG22 VAL B 600 10.512 -15.004 -1.383 1.00 1.42 H new ATOM 0 HG23 VAL B 600 10.923 -13.344 -1.876 1.00 1.42 H new ATOM 2001 N GLN B 601 13.523 -12.455 1.865 1.00 0.00 N ATOM 2002 CA GLN B 601 14.551 -12.265 2.866 1.00 0.00 C ATOM 2003 C GLN B 601 13.993 -11.603 4.128 1.00 0.00 C ATOM 2004 O GLN B 601 13.165 -10.691 4.049 1.00 0.00 O ATOM 2005 CB GLN B 601 15.682 -11.412 2.287 1.00 0.01 C ATOM 2006 CG GLN B 601 16.795 -11.113 3.277 1.00 1.31 C ATOM 2007 CD GLN B 601 17.880 -10.236 2.685 1.00 1.73 C ATOM 2008 OE1 GLN B 601 17.819 -9.009 2.771 1.00 2.34 O ATOM 2009 NE2 GLN B 601 18.880 -10.862 2.078 1.00 2.31 N ATOM 0 H GLN B 601 13.268 -11.621 1.335 1.00 0.00 H new ATOM 0 HA GLN B 601 14.935 -13.246 3.146 1.00 0.00 H new ATOM 0 HB2 GLN B 601 16.105 -11.925 1.423 1.00 0.01 H new ATOM 0 HB3 GLN B 601 15.267 -10.471 1.927 1.00 0.01 H new ATOM 0 HG2 GLN B 601 16.374 -10.622 4.154 1.00 1.31 H new ATOM 0 HG3 GLN B 601 17.235 -12.050 3.617 1.00 1.31 H new ATOM 0 HE21 GLN B 601 18.890 -11.881 2.030 1.00 2.31 H new ATOM 0 HE22 GLN B 601 19.639 -10.324 1.659 1.00 2.31 H new ATOM 2018 N VAL B 602 14.446 -12.077 5.288 1.00 0.00 N ATOM 2019 CA VAL B 602 14.008 -11.533 6.566 1.00 0.00 C ATOM 2020 C VAL B 602 14.394 -10.071 6.626 1.00 0.00 C ATOM 2021 O VAL B 602 15.569 -9.735 6.461 1.00 0.00 O ATOM 2022 CB VAL B 602 14.626 -12.293 7.759 1.00 0.01 C ATOM 2023 CG1 VAL B 602 16.141 -12.353 7.639 1.00 1.37 C ATOM 2024 CG2 VAL B 602 14.214 -11.651 9.076 1.00 1.36 C ATOM 0 H VAL B 602 15.119 -12.840 5.365 1.00 0.00 H new ATOM 0 HA VAL B 602 12.926 -11.646 6.640 1.00 0.00 H new ATOM 0 HB VAL B 602 14.246 -13.315 7.743 1.00 0.01 H new ATOM 0 HG11 VAL B 602 16.552 -12.893 8.492 1.00 1.37 H new ATOM 0 HG12 VAL B 602 16.413 -12.868 6.717 1.00 1.37 H new ATOM 0 HG13 VAL B 602 16.545 -11.341 7.622 1.00 1.37 H new ATOM 0 HG21 VAL B 602 14.660 -12.202 9.904 1.00 1.36 H new ATOM 0 HG22 VAL B 602 14.558 -10.617 9.100 1.00 1.36 H new ATOM 0 HG23 VAL B 602 13.128 -11.674 9.168 1.00 1.36 H new ATOM 2034 N GLN B 603 13.400 -9.208 6.829 1.00 0.00 N ATOM 2035 CA GLN B 603 13.615 -7.762 6.860 1.00 0.00 C ATOM 2036 C GLN B 603 13.858 -7.299 8.289 1.00 0.00 C ATOM 2037 O GLN B 603 13.638 -8.053 9.228 1.00 0.00 O ATOM 2038 CB GLN B 603 12.390 -7.043 6.292 1.00 0.02 C ATOM 2039 CG GLN B 603 11.818 -7.700 5.046 1.00 1.20 C ATOM 2040 CD GLN B 603 10.361 -7.341 4.817 1.00 1.93 C ATOM 2041 OE1 GLN B 603 9.593 -8.136 4.276 1.00 2.58 O ATOM 2042 NE2 GLN B 603 9.972 -6.141 5.230 1.00 2.68 N ATOM 0 H GLN B 603 12.430 -9.488 6.976 1.00 0.00 H new ATOM 0 HA GLN B 603 14.489 -7.524 6.254 1.00 0.00 H new ATOM 0 HB2 GLN B 603 11.616 -7.002 7.058 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.660 -6.013 6.057 1.00 0.02 H new ATOM 0 HG2 GLN B 603 12.404 -7.398 4.178 1.00 1.20 H new ATOM 0 HG3 GLN B 603 11.913 -8.782 5.134 1.00 1.20 H new ATOM 0 HE21 GLN B 603 10.642 -5.513 5.674 1.00 2.68 H new ATOM 0 HE22 GLN B 603 9.003 -5.847 5.103 1.00 2.68 H new ATOM 2051 N VAL B 604 14.324 -6.065 8.465 1.00 0.00 N ATOM 2052 CA VAL B 604 14.676 -5.603 9.809 1.00 0.00 C ATOM 2053 C VAL B 604 13.453 -5.354 10.692 1.00 0.00 C ATOM 2054 O VAL B 604 12.527 -4.651 10.309 1.00 0.00 O ATOM 2055 CB VAL B 604 15.506 -4.307 9.740 1.00 0.01 C ATOM 2056 CG1 VAL B 604 15.984 -3.899 11.125 1.00 1.27 C ATOM 2057 CG2 VAL B 604 16.683 -4.476 8.790 1.00 1.27 C ATOM 0 H VAL B 604 14.465 -5.383 7.720 1.00 0.00 H new ATOM 0 HA VAL B 604 15.261 -6.406 10.258 1.00 0.00 H new ATOM 0 HB VAL B 604 14.868 -3.512 9.355 1.00 0.01 H new ATOM 0 HG11 VAL B 604 16.568 -2.982 11.053 1.00 1.27 H new ATOM 0 HG12 VAL B 604 15.123 -3.731 11.772 1.00 1.27 H new ATOM 0 HG13 VAL B 604 16.604 -4.692 11.544 1.00 1.27 H new ATOM 0 HG21 VAL B 604 17.258 -3.550 8.754 1.00 1.27 H new ATOM 0 HG22 VAL B 604 17.322 -5.286 9.142 1.00 1.27 H new ATOM 0 HG23 VAL B 604 16.314 -4.713 7.792 1.00 1.27 H new ATOM 2067 N GLY B 605 13.475 -5.932 11.884 1.00 0.00 N ATOM 2068 CA GLY B 605 12.338 -5.852 12.774 1.00 0.00 C ATOM 2069 C GLY B 605 11.399 -7.023 12.602 1.00 0.00 C ATOM 2070 O GLY B 605 10.309 -7.037 13.157 1.00 0.00 O ATOM 0 H GLY B 605 14.267 -6.459 12.252 1.00 0.00 H new ATOM 0 HA2 GLY B 605 12.688 -5.817 13.806 1.00 0.00 H new ATOM 0 HA3 GLY B 605 11.797 -4.924 12.588 1.00 0.00 H new ATOM 2074 N GLU B 606 11.788 -8.001 11.795 1.00 0.00 N ATOM 2075 CA GLU B 606 10.968 -9.197 11.667 1.00 0.00 C ATOM 2076 C GLU B 606 11.815 -10.449 11.812 1.00 0.00 C ATOM 2077 O GLU B 606 13.029 -10.433 11.609 1.00 0.00 O ATOM 2078 CB GLU B 606 10.252 -9.199 10.313 1.00 0.02 C ATOM 2079 CG GLU B 606 9.208 -10.297 10.174 1.00 1.16 C ATOM 2080 CD GLU B 606 8.073 -10.153 11.171 1.00 1.64 C ATOM 2081 OE1 GLU B 606 8.185 -10.709 12.284 1.00 2.51 O ATOM 2082 OE2 GLU B 606 7.073 -9.483 10.838 1.00 1.84 O ATOM 0 H GLU B 606 12.640 -7.993 11.235 1.00 0.00 H new ATOM 0 HA GLU B 606 10.224 -9.192 12.464 1.00 0.00 H new ATOM 0 HB2 GLU B 606 9.771 -8.232 10.165 1.00 0.02 H new ATOM 0 HB3 GLU B 606 10.992 -9.311 9.521 1.00 0.02 H new ATOM 0 HG2 GLU B 606 8.802 -10.281 9.162 1.00 1.16 H new ATOM 0 HG3 GLU B 606 9.686 -11.267 10.311 1.00 1.16 H new ATOM 2089 N VAL B 607 11.152 -11.538 12.163 1.00 0.00 N ATOM 2090 CA VAL B 607 11.814 -12.798 12.445 1.00 0.00 C ATOM 2091 C VAL B 607 11.681 -13.797 11.303 1.00 0.00 C ATOM 2092 O VAL B 607 12.485 -14.713 11.186 1.00 0.00 O ATOM 2093 CB VAL B 607 11.271 -13.437 13.739 1.00 0.01 C ATOM 2094 CG1 VAL B 607 11.500 -12.513 14.925 1.00 1.40 C ATOM 2095 CG2 VAL B 607 9.794 -13.774 13.596 1.00 1.40 C ATOM 0 H VAL B 607 10.137 -11.572 12.260 1.00 0.00 H new ATOM 0 HA VAL B 607 12.870 -12.560 12.569 1.00 0.00 H new ATOM 0 HB VAL B 607 11.814 -14.365 13.917 1.00 0.01 H new ATOM 0 HG11 VAL B 607 11.111 -12.979 15.830 1.00 1.40 H new ATOM 0 HG12 VAL B 607 12.568 -12.329 15.042 1.00 1.40 H new ATOM 0 HG13 VAL B 607 10.986 -11.567 14.754 1.00 1.40 H new ATOM 0 HG21 VAL B 607 9.432 -14.224 14.521 1.00 1.40 H new ATOM 0 HG22 VAL B 607 9.231 -12.863 13.391 1.00 1.40 H new ATOM 0 HG23 VAL B 607 9.659 -14.477 12.774 1.00 1.40 H new ATOM 2105 N MET B 608 10.663 -13.622 10.463 1.00 0.00 N ATOM 2106 CA MET B 608 10.375 -14.596 9.410 1.00 0.00 C ATOM 2107 C MET B 608 10.042 -13.937 8.078 1.00 0.00 C ATOM 2108 O MET B 608 9.352 -12.928 8.029 1.00 0.00 O ATOM 2109 CB MET B 608 9.216 -15.498 9.836 1.00 0.01 C ATOM 2110 CG MET B 608 7.956 -14.735 10.212 1.00 1.32 C ATOM 2111 SD MET B 608 6.591 -15.828 10.650 1.00 2.02 S ATOM 2112 CE MET B 608 5.316 -14.631 11.040 1.00 2.68 C ATOM 0 H MET B 608 10.029 -12.824 10.489 1.00 0.00 H new ATOM 0 HA MET B 608 11.280 -15.186 9.266 1.00 0.00 H new ATOM 0 HB2 MET B 608 8.985 -16.186 9.023 1.00 0.01 H new ATOM 0 HB3 MET B 608 9.531 -16.103 10.686 1.00 0.01 H new ATOM 0 HG2 MET B 608 8.172 -14.075 11.052 1.00 1.32 H new ATOM 0 HG3 MET B 608 7.656 -14.101 9.377 1.00 1.32 H new ATOM 0 HE1 MET B 608 4.404 -15.152 11.331 1.00 2.68 H new ATOM 0 HE2 MET B 608 5.650 -13.998 11.862 1.00 2.68 H new ATOM 0 HE3 MET B 608 5.117 -14.013 10.164 1.00 2.68 H new ATOM 2122 N PRO B 609 10.502 -14.539 6.984 1.00 0.00 N ATOM 2123 CA PRO B 609 10.221 -13.995 5.651 1.00 0.00 C ATOM 2124 C PRO B 609 8.719 -13.742 5.433 1.00 0.00 C ATOM 2125 O PRO B 609 7.905 -14.633 5.704 1.00 0.00 O ATOM 2126 CB PRO B 609 10.720 -15.095 4.711 1.00 0.01 C ATOM 2127 CG PRO B 609 11.758 -15.825 5.493 1.00 0.43 C ATOM 2128 CD PRO B 609 11.314 -15.769 6.929 1.00 0.02 C ATOM 0 HA PRO B 609 10.700 -13.029 5.491 1.00 0.00 H new ATOM 0 HB2 PRO B 609 9.909 -15.760 4.414 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.138 -14.674 3.796 1.00 0.01 H new ATOM 0 HG2 PRO B 609 11.848 -16.857 5.153 1.00 0.43 H new ATOM 0 HG3 PRO B 609 12.737 -15.362 5.369 1.00 0.43 H new ATOM 0 HD2 PRO B 609 10.732 -16.648 7.205 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.163 -15.722 7.611 1.00 0.02 H new ATOM 2136 N PHE B 610 8.361 -12.550 4.949 1.00 0.00 N ATOM 2137 CA PHE B 610 6.959 -12.148 4.818 1.00 0.00 C ATOM 2138 C PHE B 610 6.160 -13.136 3.949 1.00 0.00 C ATOM 2139 O PHE B 610 4.970 -13.345 4.185 1.00 0.00 O ATOM 2140 CB PHE B 610 6.876 -10.742 4.218 1.00 0.01 C ATOM 2141 CG PHE B 610 5.550 -10.070 4.432 1.00 0.79 C ATOM 2142 CD1 PHE B 610 5.095 -9.798 5.711 1.00 0.80 C ATOM 2143 CD2 PHE B 610 4.755 -9.716 3.352 1.00 1.65 C ATOM 2144 CE1 PHE B 610 3.873 -9.184 5.912 1.00 1.48 C ATOM 2145 CE2 PHE B 610 3.532 -9.104 3.547 1.00 2.37 C ATOM 2146 CZ PHE B 610 3.102 -8.814 4.827 1.00 2.25 C ATOM 0 H PHE B 610 9.028 -11.843 4.640 1.00 0.00 H new ATOM 0 HA PHE B 610 6.517 -12.150 5.815 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.661 -10.124 4.654 1.00 0.01 H new ATOM 0 HB3 PHE B 610 7.074 -10.801 3.148 1.00 0.01 H new ATOM 0 HD1 PHE B 610 5.702 -10.069 6.562 1.00 0.80 H new ATOM 0 HD2 PHE B 610 5.096 -9.921 2.348 1.00 1.65 H new ATOM 0 HE1 PHE B 610 3.522 -8.994 6.915 1.00 1.48 H new ATOM 0 HE2 PHE B 610 2.912 -8.852 2.699 1.00 2.37 H new ATOM 0 HZ PHE B 610 2.165 -8.299 4.979 1.00 2.25 H new ATOM 2156 N ILE B 611 6.821 -13.748 2.965 1.00 0.00 N ATOM 2157 CA ILE B 611 6.180 -14.734 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.443 -15.792 2.936 1.00 0.00 C ATOM 2159 O ILE B 611 4.299 -16.151 2.639 1.00 0.00 O ATOM 2160 CB ILE B 611 7.206 -15.425 1.173 1.00 0.02 C ATOM 2161 CG1 ILE B 611 6.531 -16.529 0.353 1.00 1.20 C ATOM 2162 CG2 ILE B 611 8.362 -15.989 1.987 1.00 1.20 C ATOM 2163 CD1 ILE B 611 7.404 -17.084 -0.752 1.00 1.84 C ATOM 0 H ILE B 611 7.803 -13.576 2.749 1.00 0.00 H new ATOM 0 HA ILE B 611 5.460 -14.203 1.475 1.00 0.00 H new ATOM 0 HB ILE B 611 7.605 -14.682 0.482 1.00 0.02 H new ATOM 0 HG12 ILE B 611 6.244 -17.342 1.020 1.00 1.20 H new ATOM 0 HG13 ILE B 611 5.613 -16.136 -0.084 1.00 1.20 H new ATOM 0 HG21 ILE B 611 9.075 -16.472 1.319 1.00 1.20 H new ATOM 0 HG22 ILE B 611 8.858 -15.180 2.524 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.982 -16.719 2.702 1.00 1.20 H new ATOM 0 HD11 ILE B 611 6.860 -17.861 -1.290 1.00 1.84 H new ATOM 0 HD12 ILE B 611 7.670 -16.283 -1.442 1.00 1.84 H new ATOM 0 HD13 ILE B 611 8.311 -17.508 -0.321 1.00 1.84 H new ATOM 2175 N ASP B 612 6.113 -16.268 3.984 1.00 0.00 N ATOM 2176 CA ASP B 612 5.563 -17.234 4.919 1.00 0.00 C ATOM 2177 C ASP B 612 4.186 -16.838 5.440 1.00 0.00 C ATOM 2178 O ASP B 612 3.239 -17.629 5.394 1.00 0.00 O ATOM 2179 CB ASP B 612 6.522 -17.421 6.097 1.00 0.01 C ATOM 2180 CG ASP B 612 5.953 -18.332 7.165 1.00 1.14 C ATOM 2181 OD1 ASP B 612 6.106 -19.565 7.035 1.00 1.26 O ATOM 2182 OD2 ASP B 612 5.357 -17.815 8.133 1.00 2.15 O ATOM 0 H ASP B 612 7.068 -15.986 4.206 1.00 0.00 H new ATOM 0 HA ASP B 612 5.444 -18.170 4.373 1.00 0.00 H new ATOM 0 HB2 ASP B 612 7.463 -17.834 5.734 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.749 -16.449 6.535 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.621 5.948 1.00 0.00 N ATOM 2188 CA GLU B 613 2.782 -15.154 6.458 1.00 0.00 C ATOM 2189 C GLU B 613 1.739 -15.177 5.355 1.00 0.00 C ATOM 2190 O GLU B 613 0.562 -15.493 5.594 1.00 0.00 O ATOM 2191 CB GLU B 613 2.919 -13.738 7.026 1.00 0.01 C ATOM 2192 CG GLU B 613 1.637 -13.193 7.636 1.00 1.17 C ATOM 2193 CD GLU B 613 1.812 -11.801 8.214 1.00 1.82 C ATOM 2194 OE1 GLU B 613 1.629 -10.819 7.464 1.00 2.66 O ATOM 2195 OE2 GLU B 613 2.134 -11.695 9.416 1.00 2.11 O ATOM 0 H GLU B 613 4.827 -14.946 6.019 1.00 0.00 H new ATOM 0 HA GLU B 613 2.462 -15.821 7.258 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.701 -13.736 7.785 1.00 0.01 H new ATOM 0 HB3 GLU B 613 3.245 -13.068 6.231 1.00 0.01 H new ATOM 0 HG2 GLU B 613 0.857 -13.171 6.875 1.00 1.17 H new ATOM 0 HG3 GLU B 613 1.297 -13.868 8.421 1.00 1.17 H new ATOM 2202 N ILE B 614 2.168 -14.839 4.143 1.00 0.00 N ATOM 2203 CA ILE B 614 1.252 -14.856 3.011 1.00 0.00 C ATOM 2204 C ILE B 614 0.744 -16.287 2.699 1.00 0.00 C ATOM 2205 O ILE B 614 -0.444 -16.498 2.536 1.00 0.00 O ATOM 2206 CB ILE B 614 1.921 -14.283 1.744 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.553 -12.921 2.040 1.00 1.10 C ATOM 2208 CG2 ILE B 614 0.908 -14.167 0.614 1.00 1.11 C ATOM 2209 CD1 ILE B 614 1.596 -11.926 2.657 1.00 1.76 C ATOM 0 H ILE B 614 3.123 -14.556 3.923 1.00 0.00 H new ATOM 0 HA ILE B 614 0.404 -14.233 3.294 1.00 0.00 H new ATOM 0 HB ILE B 614 2.710 -14.967 1.431 1.00 0.05 H new ATOM 0 HG12 ILE B 614 3.399 -13.062 2.712 1.00 1.10 H new ATOM 0 HG13 ILE B 614 2.948 -12.505 1.113 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.396 -13.761 -0.272 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.503 -15.153 0.386 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.098 -13.504 0.918 1.00 1.11 H new ATOM 0 HD11 ILE B 614 2.116 -10.985 2.838 1.00 1.76 H new ATOM 0 HD12 ILE B 614 0.761 -11.754 1.977 1.00 1.76 H new ATOM 0 HD13 ILE B 614 1.220 -12.320 3.601 1.00 1.76 H new ATOM 2221 N LEU B 615 1.670 -17.239 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.306 1.00 0.00 C ATOM 2223 C LEU B 615 0.436 -19.288 3.325 1.00 0.00 C ATOM 2224 O LEU B 615 -0.354 -20.159 2.976 1.00 0.00 O ATOM 2225 CB LEU B 615 2.651 -19.439 2.178 1.00 0.01 C ATOM 2226 CG LEU B 615 2.471 -20.927 1.857 1.00 1.09 C ATOM 2227 CD1 LEU B 615 3.601 -21.419 0.966 1.00 1.70 C ATOM 2228 CD2 LEU B 615 2.410 -21.746 3.140 1.00 1.84 C ATOM 0 H LEU B 615 2.661 -17.070 2.807 1.00 0.00 H new ATOM 0 HA LEU B 615 0.820 -18.621 1.356 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.264 -18.988 1.398 1.00 0.01 H new ATOM 0 HB3 LEU B 615 3.207 -19.351 3.111 1.00 0.01 H new ATOM 0 HG LEU B 615 1.529 -21.053 1.322 1.00 1.09 H new ATOM 0 HD11 LEU B 615 3.458 -22.477 0.748 1.00 1.70 H new ATOM 0 HD12 LEU B 615 3.602 -20.853 0.034 1.00 1.70 H new ATOM 0 HD13 LEU B 615 4.554 -21.280 1.476 1.00 1.70 H new ATOM 0 HD21 LEU B 615 2.282 -22.800 2.893 1.00 1.84 H new ATOM 0 HD22 LEU B 615 3.336 -21.614 3.700 1.00 1.84 H new ATOM 0 HD23 LEU B 615 1.568 -21.411 3.746 1.00 1.84 H new ATOM 2240 N ASN B 616 0.544 -18.866 4.581 1.00 0.00 N ATOM 2241 CA ASN B 616 -0.278 -19.433 5.644 1.00 0.00 C ATOM 2242 C ASN B 616 -1.712 -18.884 5.706 1.00 0.00 C ATOM 2243 O ASN B 616 -2.499 -19.270 6.569 1.00 0.00 O ATOM 2244 CB ASN B 616 0.398 -19.201 6.996 1.00 0.02 C ATOM 2245 CG ASN B 616 1.747 -19.884 7.100 1.00 1.19 C ATOM 2246 OD1 ASN B 616 1.979 -20.927 6.487 1.00 2.06 O ATOM 2247 ND2 ASN B 616 2.646 -19.296 7.881 1.00 1.95 N ATOM 0 H ASN B 616 1.189 -18.137 4.886 1.00 0.00 H new ATOM 0 HA ASN B 616 -0.364 -20.495 5.413 1.00 0.00 H new ATOM 0 HB2 ASN B 616 0.524 -18.130 7.156 1.00 0.02 H new ATOM 0 HB3 ASN B 616 -0.252 -19.567 7.790 1.00 0.02 H new ATOM 0 HD21 ASN B 616 3.573 -19.708 7.992 1.00 1.95 H new ATOM 0 HD22 ASN B 616 2.410 -18.432 8.370 1.00 1.95 H new ATOM 2254 N ASN B 617 -2.039 -18.006 4.771 1.00 0.00 N ATOM 2255 CA ASN B 617 -3.313 -17.301 4.761 1.00 0.00 C ATOM 2256 C ASN B 617 -3.876 -17.110 3.367 1.00 0.00 C ATOM 2257 O ASN B 617 -4.772 -16.273 3.170 1.00 0.00 O ATOM 2258 CB ASN B 617 -3.160 -15.940 5.443 1.00 0.03 C ATOM 2259 CG ASN B 617 -2.933 -16.055 6.940 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -2.214 -15.250 7.532 1.00 1.96 O ATOM 2261 ND2 ASN B 617 -3.551 -17.053 7.561 1.00 1.97 N ATOM 0 H ASN B 617 -1.426 -17.761 3.994 1.00 0.00 H new ATOM 0 HA ASN B 617 -4.020 -17.924 5.309 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -2.324 -15.405 4.993 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -4.054 -15.344 5.260 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -3.439 -17.175 8.567 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -4.138 -17.698 7.032 1.00 1.97 H new ATOM 2268 N ILE B 618 -3.358 -17.845 2.396 1.00 0.00 N ATOM 2269 CA ILE B 618 -3.823 -17.637 1.026 1.00 0.00 C ATOM 2270 C ILE B 618 -5.341 -17.584 0.990 1.00 0.00 C ATOM 2271 O ILE B 618 -5.922 -16.677 0.394 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.306 -18.728 0.055 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -3.899 -20.109 0.379 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -1.785 -18.775 0.083 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -3.485 -20.673 1.723 1.00 2.01 C ATOM 0 H ILE B 618 -2.644 -18.564 2.517 1.00 0.00 H new ATOM 0 HA ILE B 618 -3.415 -16.684 0.689 1.00 0.00 H new ATOM 0 HB ILE B 618 -3.635 -18.464 -0.950 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -4.986 -20.039 0.348 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -3.602 -20.810 -0.401 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -1.432 -19.545 -0.603 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -1.385 -17.808 -0.221 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -1.447 -19.006 1.093 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -3.950 -21.648 1.867 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -2.401 -20.780 1.754 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -3.806 -19.997 2.516 1.00 2.01 H new ATOM 2287 N ASN B 619 -5.975 -18.537 1.658 1.00 0.00 N ATOM 2288 CA ASN B 619 -7.421 -18.616 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.120 -17.401 2.221 1.00 0.00 C ATOM 2290 O ASN B 619 -8.976 -16.784 1.589 1.00 0.00 O ATOM 2291 CB ASN B 619 -7.894 -19.882 2.334 1.00 0.01 C ATOM 2292 CG ASN B 619 -7.369 -19.976 3.754 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -8.011 -19.515 4.698 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -6.196 -20.578 3.911 1.00 2.18 N ATOM 0 H ASN B 619 -5.518 -19.252 2.223 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.694 -18.643 0.563 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -8.984 -19.901 2.351 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -7.569 -20.757 1.771 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -5.792 -20.673 4.843 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -5.699 -20.945 3.100 1.00 2.18 H new ATOM 2301 N THR B 620 -7.735 -17.028 3.435 1.00 0.00 N ATOM 2302 CA THR B 620 -8.360 -15.873 4.060 1.00 0.00 C ATOM 2303 C THR B 620 -8.212 -14.640 3.185 1.00 0.00 C ATOM 2304 O THR B 620 -9.097 -13.802 3.160 1.00 0.00 O ATOM 2305 CB THR B 620 -7.753 -15.585 5.445 1.00 0.02 C ATOM 2306 OG1 THR B 620 -6.345 -15.353 5.323 1.00 1.27 O ATOM 2307 CG2 THR B 620 -7.999 -16.747 6.396 1.00 1.32 C ATOM 0 H THR B 620 -7.016 -17.492 3.991 1.00 0.00 H new ATOM 0 HA THR B 620 -9.417 -16.108 4.182 1.00 0.00 H new ATOM 0 HB THR B 620 -8.235 -14.695 5.851 1.00 0.02 H new ATOM 0 HG1 THR B 620 -6.042 -15.638 4.436 1.00 1.27 H new ATOM 0 HG21 THR B 620 -7.561 -16.521 7.368 1.00 1.32 H new ATOM 0 HG22 THR B 620 -9.072 -16.904 6.509 1.00 1.32 H new ATOM 0 HG23 THR B 620 -7.541 -17.650 5.993 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.110 -14.545 2.430 1.00 0.00 N ATOM 2316 CA ILE B 621 -6.884 -13.378 1.577 1.00 0.00 C ATOM 2317 C ILE B 621 -7.647 -13.377 0.259 1.00 0.00 C ATOM 2318 O ILE B 621 -8.174 -12.334 -0.140 1.00 0.00 O ATOM 2319 CB ILE B 621 -5.382 -13.118 1.309 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -4.752 -14.259 0.520 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -4.642 -12.909 2.622 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -3.365 -13.948 -0.001 1.00 2.00 C ATOM 0 H ILE B 621 -6.374 -15.250 2.394 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.294 -12.560 2.170 1.00 0.00 H new ATOM 0 HB ILE B 621 -5.300 -12.213 0.707 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -4.702 -15.143 1.155 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -5.399 -14.507 -0.321 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -3.586 -12.727 2.420 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -5.064 -12.051 3.145 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -4.744 -13.799 3.243 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -2.982 -14.807 -0.552 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -3.410 -13.083 -0.663 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -2.702 -13.729 0.836 1.00 2.00 H new ATOM 2334 N ILE B 622 -7.707 -14.515 -0.433 1.00 0.00 N ATOM 2335 CA ILE B 622 -8.391 -14.530 -1.731 1.00 0.00 C ATOM 2336 C ILE B 622 -9.900 -14.805 -1.667 1.00 0.00 C ATOM 2337 O ILE B 622 -10.588 -14.712 -2.678 1.00 0.00 O ATOM 2338 CB ILE B 622 -7.737 -15.581 -2.660 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -6.210 -15.473 -2.605 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -8.225 -15.423 -4.094 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -5.674 -14.126 -3.050 1.00 2.09 C ATOM 0 H ILE B 622 -7.309 -15.406 -0.135 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.279 -13.518 -2.120 1.00 0.00 H new ATOM 0 HB ILE B 622 -8.031 -16.569 -2.306 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -5.878 -15.666 -1.585 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -5.777 -16.251 -3.234 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -7.750 -16.174 -4.725 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -9.307 -15.554 -4.127 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -7.969 -14.428 -4.458 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -4.586 -14.127 -2.983 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -5.974 -13.938 -4.081 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -6.076 -13.344 -2.406 1.00 2.09 H new ATOM 2353 N CYS B 623 -10.385 -15.123 -0.472 1.00 0.00 N ATOM 2354 CA CYS B 623 -11.812 -15.425 -0.206 1.00 0.00 C ATOM 2355 C CYS B 623 -12.806 -14.926 -1.220 1.00 0.00 C ATOM 2356 O CYS B 623 -13.595 -15.692 -1.775 1.00 0.00 O ATOM 2357 CB CYS B 623 -12.191 -14.880 1.171 1.00 0.01 C ATOM 2358 SG CYS B 623 -13.902 -15.210 1.651 1.00 1.47 S ATOM 0 H CYS B 623 -9.800 -15.183 0.361 1.00 0.00 H new ATOM 0 HA CYS B 623 -11.878 -16.511 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -11.526 -15.314 1.917 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -12.023 -13.803 1.182 1.00 0.01 H new ATOM 0 HG CYS B 623 -14.588 -14.107 1.599 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.612 -1.404 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.836 -12.879 -2.056 1.00 0.00 C ATOM 2366 C ASP B 624 -13.490 -12.596 -3.497 1.00 0.00 C ATOM 2367 O ASP B 624 -14.323 -12.082 -4.248 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.109 -11.571 -1.314 1.00 0.01 C ATOM 2369 CG ASP B 624 -14.621 -11.804 0.094 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -13.791 -12.051 0.994 1.00 2.07 O ATOM 2371 OD2 ASP B 624 -15.851 -11.736 0.297 1.00 1.01 O ATOM 0 H ASP B 624 -12.004 -13.024 -1.097 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.736 -13.494 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -13.193 -10.982 -1.272 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -14.840 -10.985 -1.872 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.252 -12.908 -3.882 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.755 -12.556 -5.211 1.00 0.00 C ATOM 2378 C LEU B 625 -12.403 -13.418 -6.307 1.00 0.00 C ATOM 2379 O LEU B 625 -12.734 -14.585 -6.068 1.00 0.00 O ATOM 2380 CB LEU B 625 -10.231 -12.695 -5.264 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.447 -11.594 -4.541 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -9.756 -11.597 -3.051 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -7.953 -11.761 -4.776 1.00 1.67 C ATOM 0 H LEU B 625 -11.579 -13.401 -3.296 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.027 -11.517 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.955 -13.657 -4.833 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.920 -12.713 -6.309 1.00 0.06 H new ATOM 0 HG LEU B 625 -9.757 -10.632 -4.950 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -9.188 -10.807 -2.560 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -10.822 -11.425 -2.900 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -9.480 -12.561 -2.624 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -7.412 -10.971 -4.255 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -7.631 -12.731 -4.397 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -7.744 -11.701 -5.844 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.604 -12.839 -7.492 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.106 -13.584 -8.647 1.00 0.00 C ATOM 2397 C GLN B 626 -11.973 -14.417 -9.223 1.00 0.00 C ATOM 2398 O GLN B 626 -10.806 -14.133 -8.969 1.00 0.00 O ATOM 2399 CB GLN B 626 -13.669 -12.625 -9.703 1.00 0.01 C ATOM 2400 CG GLN B 626 -12.667 -11.590 -10.185 1.00 0.94 C ATOM 2401 CD GLN B 626 -13.270 -10.618 -11.179 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -13.795 -9.571 -10.799 1.00 2.35 O ATOM 2403 NE2 GLN B 626 -13.201 -10.962 -12.460 1.00 2.33 N ATOM 0 H GLN B 626 -12.426 -11.852 -7.677 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.916 -14.243 -8.334 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -14.019 -13.204 -10.557 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -14.537 -12.112 -9.289 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -12.281 -11.037 -9.329 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -11.819 -12.097 -10.646 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -12.756 -11.840 -12.729 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -13.593 -10.348 -13.175 1.00 2.33 H new ATOM 2412 N PRO B 627 -12.304 -15.426 -10.033 1.00 0.00 N ATOM 2413 CA PRO B 627 -11.275 -16.305 -10.609 1.00 0.00 C ATOM 2414 C PRO B 627 -10.075 -15.600 -11.242 1.00 0.00 C ATOM 2415 O PRO B 627 -8.930 -16.023 -11.066 1.00 0.00 O ATOM 2416 CB PRO B 627 -12.050 -17.074 -11.679 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.455 -17.107 -11.182 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.668 -15.813 -10.446 1.00 0.01 C ATOM 0 HA PRO B 627 -10.817 -16.908 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.985 -16.578 -12.648 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -11.653 -18.081 -11.809 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -14.159 -17.205 -12.009 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -13.615 -17.961 -10.524 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.124 -15.057 -11.086 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.326 -15.943 -9.587 1.00 0.01 H new ATOM 2426 N GLN B 628 -10.336 -14.549 -12.003 1.00 0.00 N ATOM 2427 CA GLN B 628 -9.275 -13.892 -12.733 1.00 0.00 C ATOM 2428 C GLN B 628 -8.314 -13.216 -11.747 1.00 0.00 C ATOM 2429 O GLN B 628 -7.088 -13.318 -11.878 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.848 -12.858 -13.705 1.00 0.01 C ATOM 2431 CG GLN B 628 -10.416 -13.461 -14.980 1.00 1.30 C ATOM 2432 CD GLN B 628 -11.532 -14.451 -14.714 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -12.703 -14.078 -14.636 1.00 2.62 O ATOM 2434 NE2 GLN B 628 -11.175 -15.722 -14.578 1.00 2.58 N ATOM 0 H GLN B 628 -11.262 -14.140 -12.128 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.731 -14.639 -13.311 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -10.633 -12.295 -13.200 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -9.064 -12.148 -13.968 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -10.790 -12.662 -15.619 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -9.617 -13.960 -15.528 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -10.192 -15.986 -14.650 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -11.883 -16.435 -14.401 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.881 -12.562 -10.738 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.098 -11.896 -9.708 1.00 0.00 C ATOM 2445 C GLN B 629 -7.269 -12.898 -8.924 1.00 0.00 C ATOM 2446 O GLN B 629 -6.118 -12.628 -8.557 1.00 0.00 O ATOM 2447 CB GLN B 629 -9.016 -11.128 -8.759 1.00 0.01 C ATOM 2448 CG GLN B 629 -9.718 -9.948 -9.411 1.00 0.49 C ATOM 2449 CD GLN B 629 -10.751 -9.308 -8.503 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -11.748 -8.760 -8.972 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -10.517 -9.375 -7.198 1.00 2.06 N ATOM 0 H GLN B 629 -9.890 -12.480 -10.613 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.422 -11.195 -10.198 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -9.766 -11.811 -8.361 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.431 -10.769 -7.912 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -8.977 -9.201 -9.695 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -10.203 -10.281 -10.329 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -9.677 -9.840 -6.854 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -11.178 -8.962 -6.540 1.00 2.06 H new ATOM 2460 N VAL B 630 -7.846 -14.067 -8.664 1.00 0.00 N ATOM 2461 CA VAL B 630 -7.111 -15.132 -7.975 1.00 0.00 C ATOM 2462 C VAL B 630 -5.862 -15.525 -8.766 1.00 0.00 C ATOM 2463 O VAL B 630 -4.815 -15.771 -8.132 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.960 -16.395 -7.676 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -9.401 -16.031 -7.372 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -7.880 -17.412 -8.807 1.00 1.30 C ATOM 2467 OXT VAL B 630 -5.940 -15.570 -10.013 1.00 1.10 O ATOM 0 H VAL B 630 -8.806 -14.303 -8.914 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.829 -14.713 -7.009 1.00 0.00 H new ATOM 0 HB VAL B 630 -7.537 -16.863 -6.787 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -9.970 -16.938 -7.167 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -9.435 -15.376 -6.501 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -9.835 -15.517 -8.229 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -8.488 -18.282 -8.558 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -8.250 -16.962 -9.728 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -6.844 -17.722 -8.945 1.00 1.30 H new