USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=21 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= -1.38! K(o=-3.1!,f=-0.63) USER MOD Set 1.2: B 629 GLN : amide:sc= -1.68 K(o=-3.1,f=-6!) USER MOD Set 2.1: B 545 MET CE :methyl 180:sc= -2.75 (180deg=-2.75) USER MOD Set 2.2: B 587 THR OG1 : rot -79:sc=-0.00207 USER MOD Single : B 505 SER OG : rot 34:sc= 0.32 USER MOD Single : B 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 HIS : no HD1:sc= 0.00705 X(o=0.0071,f=-0.36) USER MOD Single : B 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 519 THR OG1 : rot 78:sc= 0.761 USER MOD Single : B 522 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 528 CYS SG : rot 180:sc= 0 USER MOD Single : B 530 GLN : amide:sc= -0.558 K(o=-0.56,f=-2.2) USER MOD Single : B 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 534 LYS NZ :NH3+ -170:sc= -0.0163 (180deg=-0.189) USER MOD Single : B 536 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : B 537 LYS NZ :NH3+ -141:sc= 1.18 (180deg=-0.0117) USER MOD Single : B 542 SER OG : rot 74:sc= 1.2 USER MOD Single : B 543 ASN : amide:sc= -0.972 X(o=-0.97,f=-0.76) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 550 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.97) USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-3.6!) USER MOD Single : B 560 LYS NZ :NH3+ -162:sc= -0.0645 (180deg=-0.481) USER MOD Single : B 563 LYS NZ :NH3+ -116:sc= 0.00982 (180deg=-0.599) USER MOD Single : B 564 THR OG1 : rot 64:sc= 1.31 USER MOD Single : B 567 ASN : amide:sc= -1.01 K(o=-1,f=-0.0009) USER MOD Single : B 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-1.6) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 577 HIS : no HE2:sc= -1.31 X(o=-1.3,f=-1.7) USER MOD Single : B 583 MET CE :methyl 155:sc= -0.508 (180deg=-1.3) USER MOD Single : B 585 CYS SG : rot 143:sc= 0.15 USER MOD Single : B 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 593 GLN : amide:sc= -2.39! K(o=-2.4!,f=-0.0062) USER MOD Single : B 594 LYS NZ :NH3+ -168:sc= -0.0195 (180deg=-0.213) USER MOD Single : B 595 CYS SG : rot 180:sc=-0.00126 USER MOD Single : B 598 HIS : no HE2:sc= -1.99! C(o=-2!,f=-4.3!) USER MOD Single : B 601 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.26) USER MOD Single : B 603 GLN : amide:sc= -2.77! C(o=-2.8!,f=-1.6!) USER MOD Single : B 608 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 616 ASN : amide:sc= -0.518 K(o=-0.52,f=-1) USER MOD Single : B 617 ASN : amide:sc= -7.57! C(o=-7.6!,f=-3.7!) USER MOD Single : B 619 ASN : amide:sc= -0.373 K(o=-0.37,f=-7.2!) USER MOD Single : B 620 THR OG1 : rot -10:sc= -0.842! USER MOD Single : B 623 CYS SG : rot 180:sc= 0 USER MOD Single : B 626 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 628 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 382 N ILE B 504 6.402 10.438 -13.692 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 8.641 10.156 -12.645 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 7.765 12.440 -13.125 1.00 0.03 C ATOM 387 CG1 ILE B 504 7.312 12.570 -11.661 1.00 1.30 C ATOM 388 CG2 ILE B 504 6.886 13.283 -14.040 1.00 1.33 C ATOM 389 CD1 ILE B 504 5.840 12.288 -11.428 1.00 2.13 C ATOM 0 HA ILE B 504 8.176 10.889 -14.591 1.00 0.00 H new ATOM 0 HB ILE B 504 8.788 12.811 -13.187 1.00 0.03 H new ATOM 0 HG12 ILE B 504 7.901 11.886 -11.050 1.00 1.30 H new ATOM 0 HG13 ILE B 504 7.535 13.579 -11.314 1.00 1.30 H new ATOM 0 HG21 ILE B 504 6.899 14.320 -13.703 1.00 1.33 H new ATOM 0 HG22 ILE B 504 7.265 13.229 -15.060 1.00 1.33 H new ATOM 0 HG23 ILE B 504 5.864 12.905 -14.012 1.00 1.33 H new ATOM 0 HD11 ILE B 504 5.611 12.403 -10.369 1.00 2.13 H new ATOM 0 HD12 ILE B 504 5.239 12.989 -12.008 1.00 2.13 H new ATOM 0 HD13 ILE B 504 5.611 11.269 -11.740 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 8.935 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 7.338 -13.130 1.00 0.00 O ATOM 407 CB SER B 505 8.194 6.713 -11.317 1.00 0.00 C ATOM 408 OG SER B 505 7.973 6.133 -12.590 1.00 1.29 O ATOM 0 H SER B 505 7.216 8.658 -12.476 1.00 0.00 H new ATOM 0 HA SER B 505 9.052 8.496 -10.450 1.00 0.00 H new ATOM 0 HB2 SER B 505 8.772 6.027 -10.697 1.00 0.00 H new ATOM 0 HB3 SER B 505 7.239 6.869 -10.815 1.00 0.00 H new ATOM 0 HG SER B 505 8.728 6.341 -13.180 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 12.729 7.975 -11.663 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 8.523 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY B 506 13.345 7.698 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY B 506 12.771 7.145 -12.368 1.00 0.00 H new ATOM 421 N ALA B 507 12.573 10.304 -12.398 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 12.491 -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 12.257 -13.762 1.00 0.02 C ATOM 0 H ALA B 507 11.604 10.355 -12.084 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 12.432 13.181 -14.175 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.695 11.612 -14.575 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.182 12.489 -13.114 1.00 0.02 H new ATOM 431 N MET B 508 13.447 12.126 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.015 12.841 -9.465 1.00 0.00 C ATOM 433 C MET B 508 15.055 12.004 -8.717 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 13.258 -8.503 1.00 0.01 C ATOM 436 CG MET B 508 11.862 14.167 -9.135 1.00 0.47 C ATOM 437 SD MET B 508 10.530 14.594 -7.998 1.00 1.65 S ATOM 438 CE MET B 508 9.545 15.678 -9.027 1.00 2.21 C ATOM 0 H MET B 508 12.872 11.325 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.520 13.724 -9.856 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.409 12.364 -8.122 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.346 13.767 -7.647 1.00 0.01 H new ATOM 0 HG2 MET B 508 12.345 15.080 -9.481 1.00 0.47 H new ATOM 0 HG3 MET B 508 11.442 13.676 -10.013 1.00 0.47 H new ATOM 0 HE1 MET B 508 8.680 16.027 -8.464 1.00 2.21 H new ATOM 0 HE2 MET B 508 10.147 16.533 -9.335 1.00 2.21 H new ATOM 0 HE3 MET B 508 9.208 15.135 -9.910 1.00 2.21 H new ATOM 448 N HIS B 509 15.906 12.683 -7.949 1.00 0.00 N ATOM 449 CA HIS B 509 16.892 12.033 -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 15.267 11.945 -5.318 1.00 0.00 O ATOM 452 CB HIS B 509 17.900 13.055 -6.546 1.00 0.00 C ATOM 453 CG HIS B 509 18.575 13.849 -7.622 1.00 1.05 C ATOM 454 ND1 HIS B 509 18.053 15.019 -8.132 1.00 2.01 N ATOM 455 CD2 HIS B 509 19.737 13.637 -8.285 1.00 1.87 C ATOM 456 CE1 HIS B 509 18.865 15.492 -9.062 1.00 2.67 C ATOM 457 NE2 HIS B 509 19.894 14.672 -9.173 1.00 2.55 N ATOM 0 H HIS B 509 15.933 13.702 -7.911 1.00 0.00 H new ATOM 0 HA HIS B 509 17.442 11.288 -7.654 1.00 0.00 H new ATOM 0 HB2 HIS B 509 17.388 13.738 -5.869 1.00 0.00 H new ATOM 0 HB3 HIS B 509 18.658 12.534 -5.961 1.00 0.00 H new ATOM 0 HD2 HIS B 509 20.414 12.808 -8.142 1.00 1.87 H new ATOM 0 HE1 HIS B 509 18.713 16.395 -9.634 1.00 2.67 H new ATOM 0 HE2 HIS B 509 20.678 14.789 -9.815 1.00 2.55 H new ATOM 466 N GLU B 510 16.540 10.104 -5.622 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 10.058 -3.386 1.00 0.00 C ATOM 469 O GLU B 510 14.346 9.831 -2.815 1.00 0.00 O ATOM 470 CB GLU B 510 16.694 8.079 -4.241 1.00 0.01 C ATOM 471 CG GLU B 510 18.003 8.449 -3.559 1.00 1.38 C ATOM 472 CD GLU B 510 18.984 9.128 -4.495 1.00 2.04 C ATOM 473 OE1 GLU B 510 19.686 8.413 -5.239 1.00 2.52 O ATOM 474 OE2 GLU B 510 19.051 10.376 -4.482 1.00 2.66 O ATOM 0 H GLU B 510 17.339 9.639 -6.054 1.00 0.00 H new ATOM 0 HA GLU B 510 14.916 8.950 -5.119 1.00 0.00 H new ATOM 0 HB2 GLU B 510 16.117 7.439 -3.574 1.00 0.01 H new ATOM 0 HB3 GLU B 510 16.914 7.493 -5.133 1.00 0.01 H new ATOM 0 HG2 GLU B 510 17.794 9.110 -2.718 1.00 1.38 H new ATOM 0 HG3 GLU B 510 18.462 7.548 -3.151 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 16.076 11.778 -1.770 1.00 0.00 C ATOM 483 C GLU B 511 14.973 12.819 -1.931 1.00 0.00 C ATOM 484 O GLU B 511 14.161 13.020 -1.025 1.00 0.00 O ATOM 485 CB GLU B 511 17.381 12.464 -1.358 1.00 0.01 C ATOM 486 CG GLU B 511 17.304 13.139 0.002 1.00 1.31 C ATOM 487 CD GLU B 511 18.630 13.734 0.436 1.00 1.88 C ATOM 488 OE1 GLU B 511 19.426 13.011 1.072 1.00 2.41 O ATOM 489 OE2 GLU B 511 18.872 14.924 0.144 1.00 2.44 O ATOM 0 H GLU B 511 17.123 11.234 -3.499 1.00 0.00 H new ATOM 0 HA GLU B 511 15.767 11.084 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU B 511 18.183 11.725 -1.344 1.00 0.01 H new ATOM 0 HB3 GLU B 511 17.645 13.207 -2.110 1.00 0.01 H new ATOM 0 HG2 GLU B 511 16.550 13.926 -0.030 1.00 1.31 H new ATOM 0 HG3 GLU B 511 16.976 12.413 0.745 1.00 1.31 H new ATOM 496 N ASP B 512 14.948 13.486 -3.078 1.00 0.00 N ATOM 497 CA ASP B 512 13.830 14.365 -3.416 1.00 0.00 C ATOM 498 C ASP B 512 12.545 13.569 -3.577 1.00 0.00 C ATOM 499 O ASP B 512 11.476 13.995 -3.146 1.00 0.00 O ATOM 500 CB ASP B 512 14.124 15.143 -4.701 1.00 0.00 C ATOM 501 CG ASP B 512 13.046 16.161 -5.021 1.00 1.11 C ATOM 502 OD1 ASP B 512 12.021 15.774 -5.620 1.00 2.08 O ATOM 503 OD2 ASP B 512 13.227 17.348 -4.672 1.00 1.03 O ATOM 0 H ASP B 512 15.681 13.438 -3.786 1.00 0.00 H new ATOM 0 HA ASP B 512 13.702 15.072 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP B 512 15.083 15.652 -4.603 1.00 0.00 H new ATOM 0 HB3 ASP B 512 14.218 14.444 -5.532 1.00 0.00 H new ATOM 508 N GLU B 513 12.672 12.404 -4.198 1.00 0.00 N ATOM 509 CA GLU B 513 11.567 11.494 -4.387 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.180 -3.059 1.00 0.00 C ATOM 511 O GLU B 513 9.658 11.244 -2.950 1.00 0.00 O ATOM 512 CB GLU B 513 12.048 10.199 -5.044 1.00 0.01 C ATOM 513 CG GLU B 513 10.925 9.227 -5.369 1.00 1.13 C ATOM 514 CD GLU B 513 11.429 7.946 -6.006 1.00 1.38 C ATOM 515 OE1 GLU B 513 11.576 7.919 -7.246 1.00 1.92 O ATOM 516 OE2 GLU B 513 11.678 6.973 -5.265 1.00 1.88 O ATOM 0 H GLU B 513 13.554 12.068 -4.585 1.00 0.00 H new ATOM 0 HA GLU B 513 10.844 11.979 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.582 10.444 -5.962 1.00 0.01 H new ATOM 0 HB3 GLU B 513 12.761 9.709 -4.381 1.00 0.01 H new ATOM 0 HG2 GLU B 513 10.383 8.985 -4.455 1.00 1.13 H new ATOM 0 HG3 GLU B 513 10.216 9.709 -6.042 1.00 1.13 H new ATOM 523 N LYS B 514 11.665 10.834 -2.052 1.00 0.00 N ATOM 524 CA LYS B 514 11.135 10.513 -0.729 1.00 0.00 C ATOM 525 C LYS B 514 10.272 11.633 -0.177 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.407 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.278 10.210 0.245 1.00 0.03 C ATOM 528 CG LYS B 514 11.804 9.854 1.648 1.00 1.17 C ATOM 529 CD LYS B 514 12.950 9.380 2.531 1.00 1.23 C ATOM 530 CE LYS B 514 13.484 8.029 2.079 1.00 2.02 C ATOM 531 NZ LYS B 514 14.514 7.496 3.014 1.00 2.73 N ATOM 0 H LYS B 514 12.680 10.767 -2.124 1.00 0.00 H new ATOM 0 HA LYS B 514 10.506 9.629 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS B 514 12.871 9.385 -0.149 1.00 0.03 H new ATOM 0 HB3 LYS B 514 12.936 11.077 0.302 1.00 0.03 H new ATOM 0 HG2 LYS B 514 11.331 10.724 2.103 1.00 1.17 H new ATOM 0 HG3 LYS B 514 11.045 9.074 1.588 1.00 1.17 H new ATOM 0 HD2 LYS B 514 13.754 10.115 2.510 1.00 1.23 H new ATOM 0 HD3 LYS B 514 12.609 9.310 3.564 1.00 1.23 H new ATOM 0 HE2 LYS B 514 12.660 7.320 2.005 1.00 2.02 H new ATOM 0 HE3 LYS B 514 13.914 8.124 1.082 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 14.852 6.575 2.670 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 15.313 8.160 3.066 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 14.098 7.381 3.960 1.00 2.73 H new ATOM 545 N ARG B 515 10.865 12.827 -0.071 1.00 0.00 N ATOM 546 CA ARG B 515 10.195 14.011 0.492 1.00 0.00 C ATOM 547 C ARG B 515 8.921 14.317 -0.249 1.00 0.00 C ATOM 548 O ARG B 515 7.935 14.767 0.327 1.00 0.00 O ATOM 549 CB ARG B 515 11.133 15.219 0.432 1.00 0.02 C ATOM 550 CG ARG B 515 12.402 15.051 1.254 1.00 1.32 C ATOM 551 CD ARG B 515 12.111 15.128 2.743 1.00 1.65 C ATOM 552 NE ARG B 515 11.447 16.379 3.103 1.00 2.20 N ATOM 553 CZ ARG B 515 10.763 16.556 4.230 1.00 2.85 C ATOM 554 NH1 ARG B 515 10.657 15.569 5.108 1.00 3.02 N ATOM 555 NH2 ARG B 515 10.182 17.723 4.478 1.00 3.75 N ATOM 0 H ARG B 515 11.823 13.003 -0.372 1.00 0.00 H new ATOM 0 HA ARG B 515 9.943 13.797 1.531 1.00 0.00 H new ATOM 0 HB2 ARG B 515 11.406 15.404 -0.607 1.00 0.02 H new ATOM 0 HB3 ARG B 515 10.598 16.101 0.783 1.00 0.02 H new ATOM 0 HG2 ARG B 515 12.864 14.092 1.021 1.00 1.32 H new ATOM 0 HG3 ARG B 515 13.119 15.825 0.981 1.00 1.32 H new ATOM 0 HD2 ARG B 515 11.483 14.286 3.034 1.00 1.65 H new ATOM 0 HD3 ARG B 515 13.043 15.038 3.301 1.00 1.65 H new ATOM 0 HE ARG B 515 11.512 17.162 2.452 1.00 2.20 H new ATOM 0 HH11 ARG B 515 11.101 14.670 4.921 1.00 3.02 H new ATOM 0 HH12 ARG B 515 10.132 15.708 5.971 1.00 3.02 H new ATOM 0 HH21 ARG B 515 10.260 18.485 3.804 1.00 3.75 H new ATOM 0 HH22 ARG B 515 9.658 17.858 5.342 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 13.888 -2.146 1.00 0.00 O ATOM 573 CB PHE B 516 8.340 14.494 -3.873 1.00 0.01 C ATOM 574 CG PHE B 516 7.307 15.021 -4.829 1.00 0.66 C ATOM 575 CD1 PHE B 516 7.092 16.384 -4.956 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.552 14.152 -5.599 1.00 1.15 C ATOM 577 CE1 PHE B 516 6.142 16.871 -5.835 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.600 14.632 -6.478 1.00 1.70 C ATOM 579 CZ PHE B 516 5.398 15.996 -6.599 1.00 1.89 C ATOM 0 H PHE B 516 9.741 13.634 -2.026 1.00 0.00 H new ATOM 0 HA PHE B 516 7.527 15.453 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.235 15.113 -3.941 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.625 13.487 -4.178 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.673 17.074 -4.362 1.00 1.12 H new ATOM 0 HD2 PHE B 516 6.709 13.087 -5.511 1.00 1.15 H new ATOM 0 HE1 PHE B 516 5.983 17.936 -5.923 1.00 1.67 H new ATOM 0 HE2 PHE B 516 5.014 13.944 -7.070 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.659 16.374 -7.290 1.00 1.89 H new ATOM 589 N LEU B 517 7.023 12.191 -2.257 1.00 0.00 N ATOM 590 CA LEU B 517 6.045 11.145 -2.060 1.00 0.00 C ATOM 591 C LEU B 517 5.450 11.159 -0.667 1.00 0.00 C ATOM 592 O LEU B 517 4.299 10.791 -0.495 1.00 0.00 O ATOM 593 CB LEU B 517 6.698 9.786 -2.327 1.00 0.02 C ATOM 594 CG LEU B 517 5.758 8.678 -2.812 1.00 1.00 C ATOM 595 CD1 LEU B 517 6.556 7.552 -3.443 1.00 1.77 C ATOM 596 CD2 LEU B 517 4.913 8.141 -1.667 1.00 1.90 C ATOM 0 H LEU B 517 7.975 11.849 -2.390 1.00 0.00 H new ATOM 0 HA LEU B 517 5.229 11.323 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU B 517 7.483 9.921 -3.071 1.00 0.02 H new ATOM 0 HB3 LEU B 517 7.182 9.450 -1.410 1.00 0.02 H new ATOM 0 HG LEU B 517 5.089 9.104 -3.560 1.00 1.00 H new ATOM 0 HD11 LEU B 517 5.876 6.771 -3.784 1.00 1.77 H new ATOM 0 HD12 LEU B 517 7.120 7.937 -4.292 1.00 1.77 H new ATOM 0 HD13 LEU B 517 7.245 7.138 -2.707 1.00 1.77 H new ATOM 0 HD21 LEU B 517 4.254 7.356 -2.038 1.00 1.90 H new ATOM 0 HD22 LEU B 517 5.565 7.733 -0.894 1.00 1.90 H new ATOM 0 HD23 LEU B 517 4.314 8.949 -1.247 1.00 1.90 H new ATOM 608 N VAL B 518 6.219 11.560 0.338 1.00 0.00 N ATOM 609 CA VAL B 518 5.646 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 3.569 12.542 2.392 1.00 0.00 O ATOM 612 CB VAL B 518 6.703 11.841 2.775 1.00 0.03 C ATOM 613 CG1 VAL B 518 7.721 10.711 2.785 1.00 1.40 C ATOM 614 CG2 VAL B 518 7.394 13.181 2.602 1.00 1.40 C ATOM 0 H VAL B 518 7.195 11.845 0.261 1.00 0.00 H new ATOM 0 HA VAL B 518 5.200 10.633 1.874 1.00 0.00 H new ATOM 0 HB VAL B 518 6.188 11.854 3.735 1.00 0.03 H new ATOM 0 HG11 VAL B 518 8.458 10.892 3.567 1.00 1.40 H new ATOM 0 HG12 VAL B 518 7.213 9.766 2.977 1.00 1.40 H new ATOM 0 HG13 VAL B 518 8.222 10.664 1.818 1.00 1.40 H new ATOM 0 HG21 VAL B 518 8.132 13.315 3.393 1.00 1.40 H new ATOM 0 HG22 VAL B 518 7.892 13.211 1.633 1.00 1.40 H new ATOM 0 HG23 VAL B 518 6.655 13.981 2.655 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 3.883 14.893 0.921 1.00 0.00 C ATOM 626 C THR B 519 2.638 14.551 0.080 1.00 0.00 C ATOM 627 O THR B 519 1.528 14.986 0.377 1.00 0.00 O ATOM 628 CB THR B 519 4.546 16.151 0.330 1.00 0.02 C ATOM 629 OG1 THR B 519 5.721 16.484 1.079 1.00 1.10 O ATOM 630 CG2 THR B 519 3.583 17.330 0.342 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 3.568 15.085 1.947 1.00 0.00 H new ATOM 0 HB THR B 519 4.820 15.936 -0.703 1.00 0.02 H new ATOM 0 HG1 THR B 519 6.457 15.894 0.813 1.00 1.10 H new ATOM 0 HG21 THR B 519 4.075 18.206 -0.080 1.00 1.18 H new ATOM 0 HG22 THR B 519 2.702 17.087 -0.252 1.00 1.18 H new ATOM 0 HG23 THR B 519 3.281 17.543 1.368 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 1.760 13.501 -1.912 1.00 0.00 C ATOM 640 C VAL B 520 0.731 12.563 -1.305 1.00 0.00 C ATOM 641 O VAL B 520 -0.475 12.780 -1.459 1.00 0.00 O ATOM 642 CB VAL B 520 2.243 12.931 -3.264 1.00 0.03 C ATOM 643 CG1 VAL B 520 3.226 13.879 -3.928 1.00 1.21 C ATOM 644 CG2 VAL B 520 2.849 11.550 -3.094 1.00 1.22 C ATOM 0 H VAL B 520 3.730 13.355 -1.222 1.00 0.00 H new ATOM 0 HA VAL B 520 1.298 14.467 -2.113 1.00 0.00 H new ATOM 0 HB VAL B 520 1.374 12.832 -3.915 1.00 0.03 H new ATOM 0 HG11 VAL B 520 3.553 13.457 -4.878 1.00 1.21 H new ATOM 0 HG12 VAL B 520 2.742 14.840 -4.104 1.00 1.21 H new ATOM 0 HG13 VAL B 520 4.090 14.021 -3.278 1.00 1.21 H new ATOM 0 HG21 VAL B 520 3.179 11.176 -4.063 1.00 1.22 H new ATOM 0 HG22 VAL B 520 3.702 11.608 -2.417 1.00 1.22 H new ATOM 0 HG23 VAL B 520 2.102 10.873 -2.679 1.00 1.22 H new ATOM 654 N ILE B 521 1.209 11.535 -0.602 1.00 0.00 N ATOM 655 CA ILE B 521 0.332 10.516 -0.063 1.00 0.00 C ATOM 656 C ILE B 521 -0.191 10.778 1.353 1.00 0.00 C ATOM 657 O ILE B 521 -1.278 10.309 1.711 1.00 0.00 O ATOM 658 CB ILE B 521 1.006 9.128 -0.060 1.00 0.02 C ATOM 659 CG1 ILE B 521 2.146 9.084 0.963 1.00 1.41 C ATOM 660 CG2 ILE B 521 1.516 8.779 -1.450 1.00 1.40 C ATOM 661 CD1 ILE B 521 2.749 7.707 1.142 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.394 -0.397 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.523 10.547 -0.739 1.00 0.00 H new ATOM 0 HB ILE B 521 0.262 8.385 0.227 1.00 0.02 H new ATOM 0 HG12 ILE B 521 2.928 9.776 0.652 1.00 1.41 H new ATOM 0 HG13 ILE B 521 1.773 9.436 1.925 1.00 1.41 H new ATOM 0 HG21 ILE B 521 1.988 7.797 -1.428 1.00 1.40 H new ATOM 0 HG22 ILE B 521 0.681 8.765 -2.151 1.00 1.40 H new ATOM 0 HG23 ILE B 521 2.244 9.525 -1.768 1.00 1.40 H new ATOM 0 HD11 ILE B 521 3.549 7.753 1.881 1.00 1.98 H new ATOM 0 HD12 ILE B 521 1.980 7.014 1.483 1.00 1.98 H new ATOM 0 HD13 ILE B 521 3.153 7.360 0.191 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 3.283 1.00 0.00 C ATOM 676 O LYS B 522 -2.117 12.738 4.094 1.00 0.00 O ATOM 677 CB LYS B 522 1.155 12.821 4.167 1.00 0.01 C ATOM 678 CG LYS B 522 0.720 13.349 5.524 1.00 1.10 C ATOM 679 CD LYS B 522 1.805 14.203 6.161 1.00 1.37 C ATOM 680 CE LYS B 522 1.347 14.785 7.490 1.00 2.02 C ATOM 681 NZ LYS B 522 2.408 15.608 8.130 1.00 2.57 N ATOM 0 H LYS B 522 1.481 11.899 1.890 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.118 11.112 4.078 1.00 0.00 H new ATOM 0 HB2 LYS B 522 2.051 12.214 4.294 1.00 0.01 H new ATOM 0 HB3 LYS B 522 1.427 13.662 3.530 1.00 0.01 H new ATOM 0 HG2 LYS B 522 -0.190 13.938 5.412 1.00 1.10 H new ATOM 0 HG3 LYS B 522 0.480 12.513 6.181 1.00 1.10 H new ATOM 0 HD2 LYS B 522 2.700 13.601 6.315 1.00 1.37 H new ATOM 0 HD3 LYS B 522 2.078 15.012 5.483 1.00 1.37 H new ATOM 0 HE2 LYS B 522 0.459 15.397 7.332 1.00 2.02 H new ATOM 0 HE3 LYS B 522 1.061 13.976 8.162 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 2.057 15.986 9.033 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 3.247 15.018 8.305 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 2.663 16.396 7.501 1.00 2.57 H new ATOM 695 N ASP B 523 -1.243 13.556 2.198 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 1.201 1.00 0.00 O ATOM 699 CB ASP B 523 -1.961 15.713 1.308 1.00 0.01 C ATOM 700 CG ASP B 523 -3.126 16.640 1.023 1.00 1.28 C ATOM 701 OD1 ASP B 523 -3.490 17.430 1.921 1.00 1.70 O ATOM 702 OD2 ASP B 523 -3.675 16.579 -0.097 1.00 2.17 O ATOM 0 H ASP B 523 -0.519 13.601 1.481 1.00 0.00 H new ATOM 0 HA ASP B 523 -2.837 14.576 2.951 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.248 16.220 1.958 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -1.441 15.490 0.376 1.00 0.01 H new ATOM 707 N LEU B 524 -3.191 12.737 0.330 1.00 0.00 N ATOM 708 CA LEU B 524 -4.218 11.915 -0.325 1.00 0.00 C ATOM 709 C LEU B 524 -4.931 11.067 0.725 1.00 0.00 C ATOM 710 O LEU B 524 -6.148 11.005 0.749 1.00 0.00 O ATOM 711 CB LEU B 524 -3.592 11.023 -1.399 1.00 0.04 C ATOM 712 CG LEU B 524 -3.766 11.516 -2.837 1.00 0.63 C ATOM 713 CD1 LEU B 524 -3.116 12.879 -3.027 1.00 1.48 C ATOM 714 CD2 LEU B 524 -3.188 10.506 -3.816 1.00 1.36 C ATOM 0 H LEU B 524 -2.231 12.456 0.129 1.00 0.00 H new ATOM 0 HA LEU B 524 -4.941 12.569 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.526 10.925 -1.192 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -4.025 10.026 -1.319 1.00 0.04 H new ATOM 0 HG LEU B 524 -4.833 11.621 -3.035 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -3.254 13.207 -4.057 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -3.578 13.600 -2.352 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -2.051 12.808 -2.808 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -3.319 10.871 -4.835 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -2.126 10.370 -3.613 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -3.704 9.553 -3.703 1.00 1.36 H new ATOM 726 N LEU B 525 -4.164 10.453 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 10.756 3.564 1.00 0.00 C ATOM 729 O LEU B 525 -6.737 10.377 3.996 1.00 0.00 O ATOM 730 CB LEU B 525 -3.574 9.319 3.688 1.00 0.02 C ATOM 731 CG LEU B 525 -4.009 8.507 4.910 1.00 1.09 C ATOM 732 CD1 LEU B 525 -4.644 7.194 4.482 1.00 1.76 C ATOM 733 CD2 LEU B 525 -2.821 8.256 5.825 1.00 1.95 C ATOM 0 H LEU B 525 -3.148 10.396 1.542 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.299 8.947 2.454 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -2.892 8.712 3.094 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -3.011 10.187 4.031 1.00 0.02 H new ATOM 0 HG LEU B 525 -4.755 9.081 5.461 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -4.946 6.631 5.365 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -5.519 7.397 3.864 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -3.923 6.611 3.909 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -3.144 7.677 6.690 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -2.055 7.701 5.283 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -2.411 9.209 6.158 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 -5.938 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 4.378 1.00 0.00 O ATOM 0 H GLY B 526 -4.274 12.331 3.408 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.186 12.552 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.338 13.853 4.674 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 14.022 0.162 1.00 0.01 C ATOM 757 CG LEU B 527 -7.129 15.386 -0.052 1.00 0.98 C ATOM 758 CD1 LEU B 527 -6.541 15.482 -1.453 1.00 1.57 C ATOM 759 CD2 LEU B 527 -8.127 16.510 0.183 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 -8.760 14.620 1.988 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -7.095 13.243 -0.141 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -8.658 13.949 -0.498 1.00 0.01 H new ATOM 0 HG LEU B 527 -6.318 15.488 0.669 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -6.073 16.458 -1.585 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -5.794 14.700 -1.588 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -7.334 15.357 -2.190 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -7.637 17.471 0.026 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -8.959 16.409 -0.514 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -8.502 16.456 1.205 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 10.170 1.622 1.00 0.00 C ATOM 773 C CYS B 528 -10.503 10.117 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 -8.682 8.907 1.598 1.00 0.04 C ATOM 776 SG CYS B 528 -9.627 7.381 1.387 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 -10.118 10.220 0.698 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -7.957 8.988 0.788 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.116 8.847 2.528 1.00 0.04 H new ATOM 0 HG CYS B 528 -8.815 6.366 1.377 1.00 0.59 H new ATOM 782 N GLU B 529 -9.963 10.338 3.988 1.00 0.00 N ATOM 783 CA GLU B 529 -10.765 10.452 5.195 1.00 0.00 C ATOM 784 C GLU B 529 -11.754 11.633 5.138 1.00 0.00 C ATOM 785 O GLU B 529 -12.832 11.586 5.741 1.00 0.00 O ATOM 786 CB GLU B 529 -9.877 10.561 6.439 1.00 0.02 C ATOM 787 CG GLU B 529 -9.042 11.826 6.497 1.00 1.29 C ATOM 788 CD GLU B 529 -8.294 11.975 7.807 1.00 1.85 C ATOM 789 OE1 GLU B 529 -8.859 12.573 8.747 1.00 2.25 O ATOM 790 OE2 GLU B 529 -7.146 11.492 7.894 1.00 2.50 O ATOM 0 H GLU B 529 -8.960 10.443 4.143 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.355 9.538 5.262 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -10.507 10.514 7.327 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -9.212 9.698 6.474 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -8.327 11.823 5.674 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -9.690 12.691 6.353 1.00 1.29 H new ATOM 797 N GLN B 530 -11.385 12.682 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 13.698 3.474 1.00 0.00 C ATOM 800 O GLN B 530 -14.574 13.994 3.923 1.00 0.00 O ATOM 801 CB GLN B 530 -11.375 15.037 3.720 1.00 0.01 C ATOM 802 CG GLN B 530 -12.138 16.349 3.622 1.00 0.99 C ATOM 803 CD GLN B 530 -11.278 17.490 3.117 1.00 1.50 C ATOM 804 OE1 GLN B 530 -10.347 17.284 2.339 1.00 2.15 O ATOM 805 NE2 GLN B 530 -11.585 18.703 3.562 1.00 2.24 N ATOM 0 H GLN B 530 -10.516 12.720 3.876 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.524 14.134 5.318 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.489 15.186 4.337 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -11.027 14.753 2.727 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -12.991 16.220 2.955 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -12.537 16.607 4.603 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -12.366 18.827 4.206 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -11.040 19.510 3.259 1.00 2.24 H new ATOM 814 N LYS B 531 -13.291 13.227 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.046 1.332 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 -14.849 10.865 2.246 1.00 0.00 O ATOM 818 CB LYS B 531 -13.892 12.762 -0.083 1.00 0.03 C ATOM 819 CG LYS B 531 -13.157 13.934 -0.718 1.00 0.77 C ATOM 820 CD LYS B 531 -14.075 15.128 -0.928 1.00 1.35 C ATOM 821 CE LYS B 531 -13.317 16.322 -1.487 1.00 1.81 C ATOM 822 NZ LYS B 531 -14.209 17.493 -1.713 1.00 2.28 N ATOM 0 H LYS B 531 -12.383 12.963 1.864 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.979 13.971 1.320 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -13.225 11.900 -0.053 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -14.737 12.489 -0.716 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -12.320 14.226 -0.083 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -12.738 13.625 -1.675 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -14.879 14.854 -1.611 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -14.540 15.402 0.019 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -12.520 16.601 -0.797 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -12.841 16.042 -2.427 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -13.653 18.285 -2.094 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -14.955 17.236 -2.391 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -14.643 17.777 -0.812 1.00 2.28 H new ATOM 836 N ARG B 532 -16.621 12.148 1.690 1.00 0.00 N ATOM 837 CA ARG B 532 -17.591 11.144 2.065 1.00 0.00 C ATOM 838 C ARG B 532 -18.046 10.367 0.834 1.00 0.00 C ATOM 839 O ARG B 532 -17.883 10.828 -0.303 1.00 0.00 O ATOM 840 CB ARG B 532 -18.792 11.799 2.751 1.00 0.01 C ATOM 841 CG ARG B 532 -19.810 10.805 3.287 1.00 1.32 C ATOM 842 CD ARG B 532 -20.993 11.513 3.924 1.00 1.86 C ATOM 843 NE ARG B 532 -22.005 10.571 4.393 1.00 2.54 N ATOM 844 CZ ARG B 532 -23.278 10.897 4.592 1.00 3.32 C ATOM 845 NH1 ARG B 532 -23.695 12.136 4.366 1.00 3.60 N ATOM 846 NH2 ARG B 532 -24.137 9.982 5.020 1.00 4.21 N ATOM 0 H ARG B 532 -17.023 13.021 1.348 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.125 10.450 2.765 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -18.435 12.419 3.574 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -19.286 12.464 2.042 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -20.160 10.167 2.476 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -19.334 10.155 4.021 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -20.646 12.119 4.761 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -21.440 12.195 3.201 1.00 1.86 H new ATOM 0 HE ARG B 532 -21.719 9.610 4.578 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -23.038 12.844 4.038 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -24.673 12.381 4.520 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -23.821 9.028 5.196 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -25.114 10.232 5.173 1.00 4.21 H new ATOM 860 N GLY B 533 -18.610 9.183 1.070 1.00 0.00 N ATOM 861 CA GLY B 533 -19.096 8.353 -0.009 1.00 0.00 C ATOM 862 C GLY B 533 -18.047 7.432 -0.599 1.00 0.00 C ATOM 863 O GLY B 533 -17.036 7.882 -1.131 1.00 0.00 O ATOM 0 H GLY B 533 -18.737 8.786 2.001 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 -19.487 8.994 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.311 6.129 -0.517 1.00 0.00 N ATOM 868 CA LYS B 534 -17.433 5.114 -1.089 1.00 0.00 C ATOM 869 C LYS B 534 -16.995 5.432 -2.532 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 -18.125 3.750 -1.044 1.00 0.02 C ATOM 872 CG LYS B 534 -19.514 3.750 -1.661 1.00 1.17 C ATOM 873 CD LYS B 534 -20.228 2.429 -1.418 1.00 1.67 C ATOM 874 CE LYS B 534 -21.578 2.389 -2.116 1.00 2.37 C ATOM 875 NZ LYS B 534 -22.467 3.498 -1.676 1.00 2.95 N ATOM 0 H LYS B 534 -19.137 5.750 -0.054 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.527 5.101 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -17.505 3.021 -1.565 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -18.198 3.423 -0.007 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -20.101 4.566 -1.240 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -19.438 3.933 -2.733 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -19.608 1.608 -1.776 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -20.366 2.281 -0.347 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -21.430 2.449 -3.194 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -22.063 1.434 -1.913 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -23.427 3.339 -2.043 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -22.494 3.530 -0.637 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -22.102 4.401 -2.041 1.00 2.95 H new ATOM 889 N ASP B 535 -17.882 6.013 -3.334 1.00 0.00 N ATOM 890 CA ASP B 535 -17.493 6.447 -4.670 1.00 0.00 C ATOM 891 C ASP B 535 -16.216 7.298 -4.618 1.00 0.00 C ATOM 892 O ASP B 535 -15.263 7.030 -5.339 1.00 0.00 O ATOM 893 CB ASP B 535 -18.627 7.245 -5.316 1.00 0.01 C ATOM 894 CG ASP B 535 -18.301 7.678 -6.733 1.00 1.35 C ATOM 895 OD1 ASP B 535 -17.680 8.749 -6.899 1.00 2.20 O ATOM 896 OD2 ASP B 535 -18.665 6.945 -7.676 1.00 1.82 O ATOM 0 H ASP B 535 -18.856 6.191 -3.089 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.292 5.561 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -19.534 6.640 -5.324 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -18.838 8.126 -4.710 1.00 0.01 H new ATOM 901 N ASN B 536 -16.210 8.326 -3.769 1.00 0.00 N ATOM 902 CA ASN B 536 -15.037 9.192 -3.599 1.00 0.00 C ATOM 903 C ASN B 536 -13.854 8.463 -2.993 1.00 0.00 C ATOM 904 O ASN B 536 -12.712 8.628 -3.432 1.00 0.00 O ATOM 905 CB ASN B 536 -15.401 10.399 -2.730 1.00 0.07 C ATOM 906 CG ASN B 536 -16.456 11.280 -3.372 1.00 0.63 C ATOM 907 OD1 ASN B 536 -17.653 11.081 -3.169 1.00 1.38 O ATOM 908 ND2 ASN B 536 -16.016 12.260 -4.153 1.00 1.47 N ATOM 0 H ASN B 536 -17.006 8.582 -3.185 1.00 0.00 H new ATOM 0 HA ASN B 536 -14.737 9.522 -4.594 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -15.763 10.050 -1.763 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -14.505 10.990 -2.541 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -16.680 12.884 -4.612 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -15.014 12.389 -4.294 1.00 1.47 H new ATOM 915 N LYS B 537 -14.118 7.681 -1.955 1.00 0.00 N ATOM 916 CA LYS B 537 -13.034 7.021 -1.232 1.00 0.00 C ATOM 917 C LYS B 537 -12.376 5.966 -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 -13.569 6.371 0.046 1.00 0.03 C ATOM 920 CG LYS B 537 -14.285 7.340 0.973 1.00 0.81 C ATOM 921 CD LYS B 537 -14.953 6.613 2.129 1.00 1.12 C ATOM 922 CE LYS B 537 -15.628 7.585 3.084 1.00 1.82 C ATOM 923 NZ LYS B 537 -14.643 8.486 3.744 1.00 2.50 N ATOM 0 H LYS B 537 -15.054 7.489 -1.598 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.290 7.771 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.255 5.568 -0.225 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.739 5.913 0.585 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -13.572 8.067 1.362 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -15.034 7.897 0.411 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -15.691 5.911 1.741 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -14.210 6.027 2.670 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -16.358 8.182 2.538 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -16.176 7.027 3.843 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -14.915 8.629 4.738 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -13.697 8.056 3.703 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -14.628 9.403 3.253 1.00 2.50 H new ATOM 937 N ALA B 538 -13.176 5.357 -2.988 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 4.969 -4.969 1.00 0.00 C ATOM 940 O ALA B 538 -10.697 4.442 -5.242 1.00 0.00 O ATOM 941 CB ALA B 538 -13.861 3.643 -4.588 1.00 0.04 C ATOM 0 H ALA B 538 -14.175 5.550 -3.066 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.116 3.615 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.484 2.893 -5.283 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.474 3.158 -3.828 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.465 4.370 -5.131 1.00 0.04 H new ATOM 947 N ILE B 539 -12.189 6.087 -5.547 1.00 0.00 N ATOM 948 CA ILE B 539 -11.334 6.842 -6.453 1.00 0.00 C ATOM 949 C ILE B 539 -10.027 7.272 -5.761 1.00 0.00 C ATOM 950 O ILE B 539 -8.925 6.984 -6.229 1.00 0.00 O ATOM 951 CB ILE B 539 -12.076 8.062 -7.072 1.00 0.05 C ATOM 952 CG1 ILE B 539 -11.719 8.201 -8.556 1.00 1.15 C ATOM 953 CG2 ILE B 539 -11.777 9.360 -6.331 1.00 1.12 C ATOM 954 CD1 ILE B 539 -10.243 8.432 -8.816 1.00 1.82 C ATOM 0 H ILE B 539 -13.115 6.490 -5.405 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.071 6.177 -7.276 1.00 0.00 H new ATOM 0 HB ILE B 539 -13.145 7.875 -6.972 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -12.033 7.299 -9.081 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -12.286 9.030 -8.980 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -12.318 10.181 -6.802 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -12.092 9.266 -5.292 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -10.707 9.562 -6.369 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -10.072 8.520 -9.889 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -9.926 9.350 -8.322 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -9.669 7.592 -8.425 1.00 1.82 H new ATOM 966 N ILE B 540 -10.147 7.957 -4.633 1.00 0.00 N ATOM 967 CA ILE B 540 -8.959 8.425 -3.926 1.00 0.00 C ATOM 968 C ILE B 540 -8.037 7.255 -3.594 1.00 0.00 C ATOM 969 O ILE B 540 -6.836 7.308 -3.847 1.00 0.00 O ATOM 970 CB ILE B 540 -9.330 9.170 -2.629 1.00 0.06 C ATOM 971 CG1 ILE B 540 -10.223 10.372 -2.952 1.00 1.12 C ATOM 972 CG2 ILE B 540 -8.072 9.618 -1.894 1.00 1.11 C ATOM 973 CD1 ILE B 540 -10.809 11.039 -1.729 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.199 -4.193 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.441 9.120 -4.587 1.00 0.00 H new ATOM 0 HB ILE B 540 -9.881 8.491 -1.978 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -9.642 11.105 -3.512 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -11.035 10.046 -3.602 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -8.352 10.143 -0.980 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -7.468 8.746 -1.642 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -7.495 10.286 -2.534 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -11.429 11.881 -2.036 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -11.418 10.321 -1.180 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -10.003 11.397 -1.088 1.00 1.85 H new ATOM 985 N ALA B 541 -8.616 6.197 -3.037 1.00 0.00 N ATOM 986 CA ALA B 541 -7.883 4.992 -2.671 1.00 0.00 C ATOM 987 C ALA B 541 -7.139 4.343 -3.845 1.00 0.00 C ATOM 988 O ALA B 541 -5.985 3.914 -3.706 1.00 0.00 O ATOM 989 CB ALA B 541 -8.823 3.983 -2.026 1.00 0.02 C ATOM 0 H ALA B 541 -9.613 6.152 -2.826 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.119 5.303 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.265 3.086 -1.756 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.265 4.419 -1.130 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.613 3.721 -2.729 1.00 0.02 H new ATOM 995 N SER B 542 -7.806 4.247 -4.992 1.00 0.00 N ATOM 996 CA SER B 542 -7.189 3.623 -6.163 1.00 0.00 C ATOM 997 C SER B 542 -5.932 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 -8.176 3.587 -7.333 1.00 0.01 C ATOM 1000 OG SER B 542 -9.324 2.823 -7.009 1.00 1.20 O ATOM 0 H SER B 542 -8.757 4.586 -5.137 1.00 0.00 H new ATOM 0 HA SER B 542 -6.916 2.600 -5.903 1.00 0.00 H new ATOM 0 HB2 SER B 542 -8.473 4.603 -7.593 1.00 0.01 H new ATOM 0 HB3 SER B 542 -7.689 3.162 -8.211 1.00 0.01 H new ATOM 0 HG SER B 542 -9.889 3.329 -6.388 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 6.614 -6.889 1.00 0.00 C ATOM 1008 C ASN B 543 -3.683 6.555 -6.034 1.00 0.00 C ATOM 1009 O ASN B 543 -2.564 6.476 -6.540 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.488 8.047 -6.905 1.00 0.01 C ATOM 1011 CG ASN B 543 -4.436 9.051 -7.337 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -3.549 8.735 -8.130 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -4.526 10.267 -6.812 1.00 1.80 N ATOM 0 H ASN B 543 -6.817 6.183 -6.068 1.00 0.00 H new ATOM 0 HA ASN B 543 -4.671 6.288 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -6.342 8.107 -7.580 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -5.849 8.309 -5.910 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -3.843 10.982 -7.062 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -5.278 10.486 -6.158 1.00 1.80 H new ATOM 1020 N ILE B 544 -3.867 6.582 -4.731 1.00 0.00 N ATOM 1021 CA ILE B 544 -2.781 6.321 -3.816 1.00 0.00 C ATOM 1022 C ILE B 544 -2.125 4.982 -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 -3.266 6.235 -2.357 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -4.065 7.486 -1.985 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -2.081 6.052 -1.420 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -4.703 7.414 -0.615 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 -2.071 7.145 -3.883 1.00 0.00 H new ATOM 0 HB ILE B 544 -3.922 5.371 -2.255 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -3.405 8.353 -2.024 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -4.844 7.644 -2.731 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -2.436 5.993 -0.391 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -1.554 5.133 -1.675 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -1.403 6.899 -1.521 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -5.252 8.335 -0.421 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -5.389 6.568 -0.577 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -3.928 7.287 0.141 1.00 1.81 H new ATOM 1039 N MET B 545 -2.944 3.969 -4.459 1.00 0.00 N ATOM 1040 CA MET B 545 -2.395 2.675 -4.846 1.00 0.00 C ATOM 1041 C MET B 545 -1.648 2.722 -6.183 1.00 0.00 C ATOM 1042 O MET B 545 -0.568 2.139 -6.320 1.00 0.00 O ATOM 1043 CB MET B 545 -3.522 1.646 -4.908 1.00 0.04 C ATOM 1044 CG MET B 545 -4.231 1.448 -3.577 1.00 0.88 C ATOM 1045 SD MET B 545 -5.906 0.805 -3.767 1.00 1.81 S ATOM 1046 CE MET B 545 -5.583 -0.734 -4.620 1.00 2.60 C ATOM 0 H MET B 545 -3.962 4.013 -4.406 1.00 0.00 H new ATOM 0 HA MET B 545 -1.663 2.390 -4.090 1.00 0.00 H new ATOM 0 HB2 MET B 545 -4.250 1.960 -5.656 1.00 0.04 H new ATOM 0 HB3 MET B 545 -3.115 0.691 -5.240 1.00 0.04 H new ATOM 0 HG2 MET B 545 -3.651 0.762 -2.960 1.00 0.88 H new ATOM 0 HG3 MET B 545 -4.270 2.399 -3.046 1.00 0.88 H new ATOM 0 HE1 MET B 545 -6.524 -1.250 -4.809 1.00 2.60 H new ATOM 0 HE2 MET B 545 -5.086 -0.527 -5.568 1.00 2.60 H new ATOM 0 HE3 MET B 545 -4.942 -1.364 -4.004 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 3.561 -8.421 1.00 0.00 C ATOM 1058 C TYR B 546 -0.143 4.208 -8.187 1.00 0.00 C ATOM 1059 O TYR B 546 0.868 3.698 -8.654 1.00 0.00 O ATOM 1060 CB TYR B 546 -2.327 4.398 -9.404 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.710 4.497 -10.782 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.781 3.433 -11.673 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -1.055 5.653 -11.189 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -1.217 3.519 -12.932 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.489 5.746 -12.447 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.580 4.679 -13.317 1.00 1.57 C ATOM 1067 OH TYR B 546 -0.010 4.765 -14.566 1.00 2.08 O ATOM 0 H TYR B 546 -3.112 3.889 -7.110 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.361 2.570 -8.852 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.323 3.965 -9.492 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.450 5.402 -8.998 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.285 2.525 -11.377 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -0.987 6.492 -10.512 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -1.275 2.681 -13.611 1.00 1.00 H new ATOM 0 HE2 TYR B 546 0.022 6.649 -12.747 1.00 1.68 H new ATOM 0 HH TYR B 546 0.397 5.649 -14.680 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 1.093 6.044 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.148 5.161 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.250 4.975 -6.967 1.00 0.00 O ATOM 1081 CB ILE B 547 0.793 7.252 -6.188 1.00 0.06 C ATOM 1082 CG1 ILE B 547 -0.096 8.270 -6.913 1.00 0.74 C ATOM 1083 CG2 ILE B 547 2.087 7.907 -5.718 1.00 0.78 C ATOM 1084 CD1 ILE B 547 0.537 8.872 -8.151 1.00 1.50 C ATOM 0 H ILE B 547 -0.979 5.728 -7.046 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 0.257 6.890 -5.311 1.00 0.06 H new ATOM 0 HG12 ILE B 547 -1.030 7.785 -7.195 1.00 0.74 H new ATOM 0 HG13 ILE B 547 -0.350 9.073 -6.221 1.00 0.74 H new ATOM 0 HG21 ILE B 547 1.853 8.754 -5.074 1.00 0.78 H new ATOM 0 HG22 ILE B 547 2.681 7.182 -5.162 1.00 0.78 H new ATOM 0 HG23 ILE B 547 2.654 8.254 -6.582 1.00 0.78 H new ATOM 0 HD11 ILE B 547 -0.155 9.581 -8.605 1.00 1.50 H new ATOM 0 HD12 ILE B 547 1.457 9.388 -7.875 1.00 1.50 H new ATOM 0 HD13 ILE B 547 0.765 8.080 -8.864 1.00 1.50 H new ATOM 1096 N VAL B 548 1.821 4.605 -5.289 1.00 0.00 N ATOM 1097 CA VAL B 548 2.744 3.687 -4.639 1.00 0.00 C ATOM 1098 C VAL B 548 3.289 2.644 -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 2.093 2.978 -3.430 1.00 0.03 C ATOM 1101 CG1 VAL B 548 0.912 2.128 -3.863 1.00 1.40 C ATOM 1102 CG2 VAL B 548 3.117 2.137 -2.688 1.00 1.39 C ATOM 0 H VAL B 548 0.945 4.766 -4.792 1.00 0.00 H new ATOM 0 HA VAL B 548 3.577 4.288 -4.273 1.00 0.00 H new ATOM 0 HB VAL B 548 1.721 3.746 -2.751 1.00 0.03 H new ATOM 0 HG11 VAL B 548 0.475 1.642 -2.991 1.00 1.40 H new ATOM 0 HG12 VAL B 548 0.163 2.761 -4.339 1.00 1.40 H new ATOM 0 HG13 VAL B 548 1.249 1.370 -4.570 1.00 1.40 H new ATOM 0 HG21 VAL B 548 2.639 1.646 -1.840 1.00 1.39 H new ATOM 0 HG22 VAL B 548 3.525 1.383 -3.361 1.00 1.39 H new ATOM 0 HG23 VAL B 548 3.923 2.777 -2.329 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 -7.408 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 -8.824 1.00 0.00 O ATOM 0 H GLY B 549 1.425 2.317 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.154 0.167 -6.859 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.949 0.742 -7.994 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.807 -8.596 1.00 0.00 N ATOM 1120 CA GLN B 550 4.881 3.389 -9.552 1.00 0.00 C ATOM 1121 C GLN B 550 6.224 3.727 -8.929 1.00 0.00 C ATOM 1122 O GLN B 550 7.179 4.047 -9.637 1.00 0.00 O ATOM 1123 CB GLN B 550 4.269 4.626 -10.225 1.00 0.01 C ATOM 1124 CG GLN B 550 4.575 5.945 -9.532 1.00 1.12 C ATOM 1125 CD GLN B 550 4.086 7.143 -10.324 1.00 1.59 C ATOM 1126 OE1 GLN B 550 4.042 7.112 -11.554 1.00 2.25 O ATOM 1127 NE2 GLN B 550 3.714 8.206 -9.620 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.486 -8.143 1.00 0.00 H new ATOM 0 HA GLN B 550 5.066 2.630 -10.312 1.00 0.00 H new ATOM 0 HB2 GLN B 550 4.629 4.679 -11.252 1.00 0.01 H new ATOM 0 HB3 GLN B 550 3.187 4.499 -10.273 1.00 0.01 H new ATOM 0 HG2 GLN B 550 4.110 5.951 -8.546 1.00 1.12 H new ATOM 0 HG3 GLN B 550 5.651 6.030 -9.377 1.00 1.12 H new ATOM 0 HE21 GLN B 550 3.767 8.187 -8.602 1.00 2.27 H new ATOM 0 HE22 GLN B 550 3.375 9.041 -10.098 1.00 2.27 H new ATOM 1136 N TYR B 551 6.301 3.639 -7.604 1.00 0.00 N ATOM 1137 CA TYR B 551 7.521 4.004 -6.906 1.00 0.00 C ATOM 1138 C TYR B 551 8.132 2.858 -6.087 1.00 0.00 C ATOM 1139 O TYR B 551 8.289 2.968 -4.872 1.00 0.00 O ATOM 1140 CB TYR B 551 7.259 5.201 -5.988 1.00 0.08 C ATOM 1141 CG TYR B 551 7.198 6.528 -6.712 1.00 0.90 C ATOM 1142 CD1 TYR B 551 8.333 7.071 -7.299 1.00 1.80 C ATOM 1143 CD2 TYR B 551 6.009 7.243 -6.796 1.00 1.10 C ATOM 1144 CE1 TYR B 551 8.286 8.287 -7.953 1.00 2.65 C ATOM 1145 CE2 TYR B 551 5.954 8.460 -7.451 1.00 1.91 C ATOM 1146 CZ TYR B 551 7.095 8.978 -8.026 1.00 2.65 C ATOM 1147 OH TYR B 551 7.045 10.190 -8.675 1.00 3.53 O ATOM 0 H TYR B 551 5.541 3.322 -7.002 1.00 0.00 H new ATOM 0 HA TYR B 551 8.247 4.260 -7.678 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.318 5.043 -5.461 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.044 5.246 -5.233 1.00 0.08 H new ATOM 0 HD1 TYR B 551 9.268 6.534 -7.243 1.00 1.80 H new ATOM 0 HD2 TYR B 551 5.114 6.842 -6.343 1.00 1.10 H new ATOM 0 HE1 TYR B 551 9.178 8.695 -8.405 1.00 2.65 H new ATOM 0 HE2 TYR B 551 5.022 9.002 -7.512 1.00 1.91 H new ATOM 0 HH TYR B 551 6.132 10.544 -8.636 1.00 3.53 H new ATOM 1157 N PRO B 552 8.484 1.746 -6.754 1.00 0.00 N ATOM 1158 CA PRO B 552 9.115 0.635 -6.029 1.00 0.00 C ATOM 1159 C PRO B 552 10.379 1.051 -5.273 1.00 0.00 C ATOM 1160 O PRO B 552 10.616 0.552 -4.181 1.00 0.00 O ATOM 1161 CB PRO B 552 9.467 -0.357 -7.142 1.00 0.01 C ATOM 1162 CG PRO B 552 8.548 -0.018 -8.268 1.00 0.46 C ATOM 1163 CD PRO B 552 8.318 1.466 -8.189 1.00 0.02 C ATOM 0 HA PRO B 552 8.453 0.233 -5.262 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.511 -0.260 -7.442 1.00 0.01 H new ATOM 0 HB3 PRO B 552 9.324 -1.386 -6.813 1.00 0.01 H new ATOM 0 HG2 PRO B 552 8.988 -0.293 -9.226 1.00 0.46 H new ATOM 0 HG3 PRO B 552 7.608 -0.563 -8.181 1.00 0.46 H new ATOM 0 HD2 PRO B 552 9.036 2.019 -8.795 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.324 1.741 -8.542 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 2.260 -5.259 1.00 0.00 C ATOM 1173 C ARG B 553 12.268 2.791 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.958 2.403 -2.911 1.00 0.00 O ATOM 1175 CB ARG B 553 13.208 3.305 -6.110 1.00 0.01 C ATOM 1176 CG ARG B 553 13.462 2.862 -7.544 1.00 1.17 C ATOM 1177 CD ARG B 553 14.449 1.706 -7.610 1.00 1.73 C ATOM 1178 NE ARG B 553 14.755 1.328 -8.988 1.00 2.26 N ATOM 1179 CZ ARG B 553 15.617 0.371 -9.320 1.00 3.06 C ATOM 1180 NH1 ARG B 553 16.243 -0.322 -8.376 1.00 3.50 N ATOM 1181 NH2 ARG B 553 15.851 0.102 -10.596 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 13.100 1.363 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG B 553 12.619 4.222 -6.122 1.00 0.01 H new ATOM 0 HB3 ARG B 553 14.162 3.545 -5.640 1.00 0.01 H new ATOM 0 HG2 ARG B 553 12.520 2.563 -8.005 1.00 1.17 H new ATOM 0 HG3 ARG B 553 13.847 3.702 -8.122 1.00 1.17 H new ATOM 0 HD2 ARG B 553 15.370 1.985 -7.097 1.00 1.73 H new ATOM 0 HD3 ARG B 553 14.037 0.847 -7.081 1.00 1.73 H new ATOM 0 HE ARG B 553 14.280 1.827 -9.740 1.00 2.26 H new ATOM 0 HH11 ARG B 553 16.064 -0.121 -7.392 1.00 3.50 H new ATOM 0 HH12 ARG B 553 16.903 -1.055 -8.635 1.00 3.50 H new ATOM 0 HH21 ARG B 553 15.370 0.629 -11.325 1.00 3.87 H new ATOM 0 HH22 ARG B 553 16.512 -0.632 -10.850 1.00 3.87 H new ATOM 1195 N PHE B 554 11.304 3.698 -3.716 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 9.547 5.043 -2.626 1.00 0.03 C ATOM 1200 CG PHE B 554 9.100 5.711 -1.353 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.673 6.905 -0.939 1.00 0.40 C ATOM 1202 CD2 PHE B 554 8.098 5.151 -0.574 1.00 0.59 C ATOM 1203 CE1 PHE B 554 9.259 7.524 0.225 1.00 0.45 C ATOM 1204 CE2 PHE B 554 7.679 5.768 0.591 1.00 0.70 C ATOM 1205 CZ PHE B 554 8.290 6.937 1.012 1.00 0.48 C ATOM 0 H PHE B 554 10.865 4.154 -4.516 1.00 0.00 H new ATOM 0 HA PHE B 554 11.560 4.714 -1.948 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.780 5.807 -3.368 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.725 4.450 -3.026 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.453 7.356 -1.534 1.00 0.40 H new ATOM 0 HD2 PHE B 554 7.640 4.222 -0.881 1.00 0.59 H new ATOM 0 HE1 PHE B 554 9.694 8.468 0.519 1.00 0.45 H new ATOM 0 HE2 PHE B 554 6.876 5.338 1.172 1.00 0.70 H new ATOM 0 HZ PHE B 554 8.009 7.387 1.953 1.00 0.48 H new ATOM 1215 N LEU B 555 9.492 2.113 -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 8.058 0.114 -2.050 1.00 0.03 C ATOM 1220 CG LEU B 555 6.691 0.748 -2.298 1.00 0.54 C ATOM 1221 CD1 LEU B 555 5.852 -0.143 -3.199 1.00 1.49 C ATOM 1222 CD2 LEU B 555 5.975 1.004 -0.978 1.00 1.34 C ATOM 0 H LEU B 555 9.054 2.206 -2.903 1.00 0.00 H new ATOM 0 HA LEU B 555 8.507 1.320 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU B 555 8.521 -0.101 -3.013 1.00 0.03 H new ATOM 0 HB3 LEU B 555 7.911 -0.842 -1.547 1.00 0.03 H new ATOM 0 HG LEU B 555 6.837 1.705 -2.799 1.00 0.54 H new ATOM 0 HD11 LEU B 555 4.880 0.321 -3.367 1.00 1.49 H new ATOM 0 HD12 LEU B 555 6.360 -0.277 -4.154 1.00 1.49 H new ATOM 0 HD13 LEU B 555 5.713 -1.114 -2.723 1.00 1.49 H new ATOM 0 HD21 LEU B 555 5.003 1.456 -1.173 1.00 1.34 H new ATOM 0 HD22 LEU B 555 5.837 0.060 -0.450 1.00 1.34 H new ATOM 0 HD23 LEU B 555 6.572 1.679 -0.365 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 12.244 -1.011 -1.531 1.00 0.00 C ATOM 1236 C ARG B 556 13.131 -0.534 -0.371 1.00 0.00 C ATOM 1237 O ARG B 556 13.690 -1.351 0.380 1.00 0.00 O ATOM 1238 CB ARG B 556 13.080 -1.081 -2.811 1.00 0.02 C ATOM 1239 CG ARG B 556 14.298 -1.981 -2.693 1.00 1.02 C ATOM 1240 CD ARG B 556 15.149 -1.942 -3.952 1.00 1.14 C ATOM 1241 NE ARG B 556 15.662 -0.602 -4.225 1.00 1.74 N ATOM 1242 CZ ARG B 556 16.606 -0.344 -5.125 1.00 2.13 C ATOM 1243 NH1 ARG B 556 17.142 -1.329 -5.830 1.00 1.99 N ATOM 1244 NH2 ARG B 556 17.017 0.902 -5.318 1.00 3.09 N ATOM 0 H ARG B 556 10.984 0.163 -2.713 1.00 0.00 H new ATOM 0 HA ARG B 556 11.869 -1.996 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG B 556 12.452 -1.439 -3.626 1.00 0.02 H new ATOM 0 HB3 ARG B 556 13.406 -0.076 -3.078 1.00 0.02 H new ATOM 0 HG2 ARG B 556 14.899 -1.671 -1.838 1.00 1.02 H new ATOM 0 HG3 ARG B 556 13.977 -3.005 -2.502 1.00 1.02 H new ATOM 0 HD2 ARG B 556 15.984 -2.635 -3.847 1.00 1.14 H new ATOM 0 HD3 ARG B 556 14.556 -2.283 -4.801 1.00 1.14 H new ATOM 0 HE ARG B 556 15.275 0.179 -3.696 1.00 1.74 H new ATOM 0 HH11 ARG B 556 16.831 -2.289 -5.683 1.00 1.99 H new ATOM 0 HH12 ARG B 556 17.866 -1.127 -6.520 1.00 1.99 H new ATOM 0 HH21 ARG B 556 16.609 1.663 -4.776 1.00 3.09 H new ATOM 0 HH22 ARG B 556 17.741 1.099 -6.009 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 14.030 1.659 3.197 1.00 0.00 O ATOM 1262 CB ALA B 557 14.621 2.699 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 0.966 1.00 0.00 H new ATOM 0 HB1 ALA B 557 15.262 3.101 1.200 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.194 2.602 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.781 3.374 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 3.443 1.00 0.00 C ATOM 1270 C HIS B 558 10.361 0.208 3.753 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 10.466 2.691 3.403 1.00 0.08 C ATOM 1273 CG HIS B 558 9.888 3.083 4.732 1.00 1.15 C ATOM 1274 ND1 HIS B 558 8.999 4.125 4.886 1.00 2.12 N ATOM 1275 CD2 HIS B 558 10.078 2.570 5.973 1.00 2.10 C ATOM 1276 CE1 HIS B 558 8.667 4.236 6.162 1.00 2.93 C ATOM 1277 NE2 HIS B 558 9.308 3.305 6.841 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 12.025 1.428 4.246 1.00 0.00 H new ATOM 0 HB2 HIS B 558 11.096 3.502 3.038 1.00 0.08 H new ATOM 0 HB3 HIS B 558 9.654 2.571 2.686 1.00 0.08 H new ATOM 0 HD2 HIS B 558 10.716 1.738 6.231 1.00 2.10 H new ATOM 0 HE1 HIS B 558 7.987 4.965 6.577 1.00 2.93 H new ATOM 0 HE2 HIS B 558 9.243 3.155 7.848 1.00 2.91 H new ATOM 1286 N TRP B 559 10.925 -0.884 4.260 1.00 0.00 N ATOM 1287 CA TRP B 559 10.154 -2.119 4.519 1.00 0.00 C ATOM 1288 C TRP B 559 8.849 -1.962 5.321 1.00 0.00 C ATOM 1289 O TRP B 559 7.801 -2.515 4.948 1.00 0.00 O ATOM 1290 CB TRP B 559 11.052 -3.142 5.215 1.00 0.02 C ATOM 1291 CG TRP B 559 11.893 -2.555 6.308 1.00 1.09 C ATOM 1292 CD1 TRP B 559 11.544 -2.398 7.619 1.00 2.27 C ATOM 1293 CD2 TRP B 559 13.227 -2.050 6.184 1.00 1.54 C ATOM 1294 NE1 TRP B 559 12.577 -1.822 8.316 1.00 2.97 N ATOM 1295 CE2 TRP B 559 13.622 -1.599 7.457 1.00 2.47 C ATOM 1296 CE3 TRP B 559 14.124 -1.933 5.118 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 14.876 -1.042 7.693 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 15.369 -1.379 5.354 1.00 2.76 C ATOM 1299 CH2 TRP B 559 15.735 -0.940 6.632 1.00 3.08 C ATOM 0 H TRP B 559 11.913 -0.950 4.503 1.00 0.00 H new ATOM 0 HA TRP B 559 9.832 -2.449 3.531 1.00 0.00 H new ATOM 0 HB2 TRP B 559 10.431 -3.935 5.632 1.00 0.02 H new ATOM 0 HB3 TRP B 559 11.704 -3.604 4.474 1.00 0.02 H new ATOM 0 HD1 TRP B 559 10.594 -2.685 8.045 1.00 2.27 H new ATOM 0 HE1 TRP B 559 12.568 -1.597 9.311 1.00 2.97 H new ATOM 0 HE3 TRP B 559 13.850 -2.269 4.129 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 15.161 -0.703 8.678 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 16.071 -1.283 4.539 1.00 2.76 H new ATOM 0 HH2 TRP B 559 16.715 -0.512 6.784 1.00 3.08 H new ATOM 1310 N LYS B 560 8.927 -1.243 6.437 1.00 0.00 N ATOM 1311 CA LYS B 560 7.765 -1.019 7.283 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 -0.679 6.711 1.00 0.00 O ATOM 1314 CB LYS B 560 8.147 -0.141 8.475 1.00 0.01 C ATOM 1315 CG LYS B 560 7.014 0.061 9.468 1.00 1.26 C ATOM 1316 CD LYS B 560 7.466 0.860 10.681 1.00 1.83 C ATOM 1317 CE LYS B 560 8.471 0.085 11.521 1.00 2.58 C ATOM 1318 NZ LYS B 560 7.946 -1.247 11.927 1.00 3.32 N ATOM 0 H LYS B 560 9.785 -0.806 6.775 1.00 0.00 H new ATOM 0 HA LYS B 560 7.417 -1.985 7.648 1.00 0.00 H new ATOM 0 HB2 LYS B 560 8.995 -0.591 8.991 1.00 0.01 H new ATOM 0 HB3 LYS B 560 8.476 0.831 8.109 1.00 0.01 H new ATOM 0 HG2 LYS B 560 6.189 0.578 8.978 1.00 1.26 H new ATOM 0 HG3 LYS B 560 6.636 -0.909 9.791 1.00 1.26 H new ATOM 0 HD2 LYS B 560 7.912 1.799 10.353 1.00 1.83 H new ATOM 0 HD3 LYS B 560 6.600 1.115 11.292 1.00 1.83 H new ATOM 0 HE2 LYS B 560 9.393 -0.046 10.955 1.00 2.58 H new ATOM 0 HE3 LYS B 560 8.722 0.663 12.411 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 8.504 -1.611 12.726 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 6.950 -1.155 12.213 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 8.017 -1.907 11.126 1.00 3.32 H new ATOM 1332 N PHE B 561 6.958 0.520 5.570 1.00 0.00 N ATOM 1333 CA PHE B 561 5.914 1.090 4.729 1.00 0.00 C ATOM 1334 C PHE B 561 5.431 0.093 3.657 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 6.383 2.391 4.067 1.00 0.03 C ATOM 1337 CG PHE B 561 5.307 3.445 3.976 1.00 0.40 C ATOM 1338 CD1 PHE B 561 3.992 3.106 3.678 1.00 0.95 C ATOM 1339 CD2 PHE B 561 5.613 4.779 4.196 1.00 0.98 C ATOM 1340 CE1 PHE B 561 3.008 4.077 3.601 1.00 1.18 C ATOM 1341 CE2 PHE B 561 4.633 5.753 4.120 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.331 5.402 3.822 1.00 1.14 C ATOM 0 H PHE B 561 7.904 0.855 5.388 1.00 0.00 H new ATOM 0 HA PHE B 561 5.071 1.315 5.382 1.00 0.00 H new ATOM 0 HB2 PHE B 561 7.226 2.792 4.630 1.00 0.03 H new ATOM 0 HB3 PHE B 561 6.747 2.168 3.064 1.00 0.03 H new ATOM 0 HD1 PHE B 561 3.735 2.072 3.504 1.00 0.95 H new ATOM 0 HD2 PHE B 561 6.629 5.062 4.430 1.00 0.98 H new ATOM 0 HE1 PHE B 561 1.990 3.799 3.369 1.00 1.18 H new ATOM 0 HE2 PHE B 561 4.887 6.788 4.294 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.566 6.162 3.762 1.00 1.14 H new ATOM 1352 N LEU B 562 6.374 -0.579 2.996 1.00 0.00 N ATOM 1353 CA LEU B 562 6.060 -1.622 2.038 1.00 0.00 C ATOM 1354 C LEU B 562 5.078 -2.619 2.643 1.00 0.00 C ATOM 1355 O LEU B 562 3.984 -2.804 2.117 1.00 0.00 O ATOM 1356 CB LEU B 562 7.341 -2.334 1.592 1.00 0.03 C ATOM 1357 CG LEU B 562 7.220 -3.151 0.303 1.00 0.45 C ATOM 1358 CD1 LEU B 562 8.576 -3.276 -0.376 1.00 1.32 C ATOM 1359 CD2 LEU B 562 6.643 -4.529 0.590 1.00 1.23 C ATOM 0 H LEU B 562 7.373 -0.411 3.114 1.00 0.00 H new ATOM 0 HA LEU B 562 5.594 -1.166 1.164 1.00 0.00 H new ATOM 0 HB2 LEU B 562 8.124 -1.588 1.458 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.667 -2.997 2.394 1.00 0.03 H new ATOM 0 HG LEU B 562 6.540 -2.628 -0.370 1.00 0.45 H new ATOM 0 HD11 LEU B 562 8.472 -3.860 -1.291 1.00 1.32 H new ATOM 0 HD12 LEU B 562 8.954 -2.283 -0.620 1.00 1.32 H new ATOM 0 HD13 LEU B 562 9.275 -3.775 0.296 1.00 1.32 H new ATOM 0 HD21 LEU B 562 6.566 -5.092 -0.340 1.00 1.23 H new ATOM 0 HD22 LEU B 562 7.296 -5.060 1.283 1.00 1.23 H new ATOM 0 HD23 LEU B 562 5.653 -4.424 1.034 1.00 1.23 H new ATOM 1371 N LYS B 563 5.467 -3.249 3.752 1.00 0.00 N ATOM 1372 CA LYS B 563 4.600 -4.215 4.444 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 5.252 -4.630 5.765 1.00 0.03 C ATOM 1376 CG LYS B 563 4.377 -5.525 6.628 1.00 1.29 C ATOM 1377 CD LYS B 563 5.045 -5.841 7.955 1.00 1.53 C ATOM 1378 CE LYS B 563 4.113 -6.608 8.878 1.00 2.10 C ATOM 1379 NZ LYS B 563 3.691 -7.907 8.287 1.00 2.74 N ATOM 0 H LYS B 563 6.376 -3.111 4.194 1.00 0.00 H new ATOM 0 HA LYS B 563 4.492 -5.068 3.774 1.00 0.00 H new ATOM 0 HB2 LYS B 563 6.186 -5.149 5.551 1.00 0.03 H new ATOM 0 HB3 LYS B 563 5.508 -3.734 6.330 1.00 0.03 H new ATOM 0 HG2 LYS B 563 3.420 -5.036 6.808 1.00 1.29 H new ATOM 0 HG3 LYS B 563 4.166 -6.452 6.095 1.00 1.29 H new ATOM 0 HD2 LYS B 563 5.948 -6.426 7.779 1.00 1.53 H new ATOM 0 HD3 LYS B 563 5.355 -4.914 8.437 1.00 1.53 H new ATOM 0 HE2 LYS B 563 4.612 -6.788 9.830 1.00 2.10 H new ATOM 0 HE3 LYS B 563 3.232 -6.002 9.089 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 2.663 -7.898 8.127 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 4.182 -8.052 7.382 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 3.933 -8.680 8.939 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.411 5.073 1.00 0.00 N ATOM 1394 CA THR B 564 1.834 -1.782 5.449 1.00 0.00 C ATOM 1395 C THR B 564 0.949 -1.595 4.220 1.00 0.00 C ATOM 1396 O THR B 564 -0.273 -1.766 4.273 1.00 0.00 O ATOM 1397 CB THR B 564 2.058 -0.423 6.136 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.952 -0.577 7.243 1.00 1.17 O ATOM 1399 CG2 THR B 564 0.742 0.158 6.627 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.782 5.108 1.00 0.00 H new ATOM 0 HA THR B 564 1.338 -2.444 6.159 1.00 0.00 H new ATOM 0 HB THR B 564 2.492 0.260 5.406 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.832 -0.858 6.916 1.00 1.17 H new ATOM 0 HG21 THR B 564 0.926 1.118 7.109 1.00 1.24 H new ATOM 0 HG22 THR B 564 0.069 0.299 5.782 1.00 1.24 H new ATOM 0 HG23 THR B 564 0.287 -0.526 7.343 1.00 1.24 H new ATOM 1407 N VAL B 565 1.573 -1.224 3.116 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 0.350 -2.513 1.371 1.00 0.00 C ATOM 1410 O VAL B 565 -0.764 -2.605 0.858 1.00 0.00 O ATOM 1411 CB VAL B 565 1.711 -0.471 0.722 1.00 0.06 C ATOM 1412 CG1 VAL B 565 2.304 0.839 1.217 1.00 1.19 C ATOM 1413 CG2 VAL B 565 2.796 -1.382 0.172 1.00 1.18 C ATOM 0 H VAL B 565 2.561 -0.972 3.077 1.00 0.00 H new ATOM 0 HA VAL B 565 0.028 -0.496 2.031 1.00 0.00 H new ATOM 0 HB VAL B 565 1.029 -0.262 -0.102 1.00 0.06 H new ATOM 0 HG11 VAL B 565 2.884 1.301 0.418 1.00 1.19 H new ATOM 0 HG12 VAL B 565 1.501 1.512 1.517 1.00 1.19 H new ATOM 0 HG13 VAL B 565 2.953 0.645 2.071 1.00 1.19 H new ATOM 0 HG21 VAL B 565 3.348 -0.860 -0.610 1.00 1.18 H new ATOM 0 HG22 VAL B 565 3.479 -1.660 0.975 1.00 1.18 H new ATOM 0 HG23 VAL B 565 2.340 -2.281 -0.244 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 -0.384 -5.447 1.905 1.00 0.00 C ATOM 1426 O VAL B 566 -1.412 -5.873 1.369 1.00 0.00 O ATOM 1427 CB VAL B 566 1.942 -5.864 1.103 1.00 0.04 C ATOM 1428 CG1 VAL B 566 1.538 -7.214 0.530 1.00 1.36 C ATOM 1429 CG2 VAL B 566 3.135 -5.295 0.351 1.00 1.36 C ATOM 0 H VAL B 566 2.053 -3.525 2.016 1.00 0.00 H new ATOM 0 HA VAL B 566 0.426 -4.758 0.034 1.00 0.00 H new ATOM 0 HB VAL B 566 2.233 -6.010 2.143 1.00 0.04 H new ATOM 0 HG11 VAL B 566 2.389 -7.894 0.566 1.00 1.36 H new ATOM 0 HG12 VAL B 566 0.718 -7.628 1.117 1.00 1.36 H new ATOM 0 HG13 VAL B 566 1.217 -7.089 -0.504 1.00 1.36 H new ATOM 0 HG21 VAL B 566 3.961 -6.005 0.389 1.00 1.36 H new ATOM 0 HG22 VAL B 566 2.858 -5.115 -0.688 1.00 1.36 H new ATOM 0 HG23 VAL B 566 3.442 -4.356 0.812 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 -1.295 -5.755 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 -5.506 5.566 1.00 0.01 C ATOM 1444 CG ASN B 567 -1.988 -5.775 6.557 1.00 1.12 C ATOM 1445 OD1 ASN B 567 -2.085 -5.118 7.592 1.00 1.94 O ATOM 1446 ND2 ASN B 567 -2.838 -6.747 6.245 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 -1.533 -6.809 3.978 1.00 0.00 H new ATOM 0 HB2 ASN B 567 -0.018 -6.141 5.805 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -0.539 -4.473 5.671 1.00 0.01 H new ATOM 0 HD21 ASN B 567 -3.608 -6.973 6.875 1.00 1.91 H new ATOM 0 HD22 ASN B 567 -2.721 -7.267 5.376 1.00 1.91 H new ATOM 1453 N LYS B 568 -2.393 -3.680 3.421 1.00 0.00 N ATOM 1454 CA LYS B 568 -3.540 -2.831 3.119 1.00 0.00 C ATOM 1455 C LYS B 568 -4.157 -3.254 1.800 1.00 0.00 C ATOM 1456 O LYS B 568 -5.361 -3.142 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.113 -1.362 3.058 1.00 0.02 C ATOM 1458 CG LYS B 568 -4.276 -0.385 3.097 1.00 0.94 C ATOM 1459 CD LYS B 568 -4.936 -0.357 4.466 1.00 1.74 C ATOM 1460 CE LYS B 568 -6.055 0.670 4.523 1.00 2.68 C ATOM 1461 NZ LYS B 568 -6.656 0.758 5.882 1.00 3.53 N ATOM 0 H LYS B 568 -1.485 -3.228 3.315 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.281 -2.942 3.910 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.446 -1.152 3.894 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -2.542 -1.197 2.145 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -3.922 0.614 2.842 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -5.012 -0.664 2.343 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -5.334 -1.344 4.699 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -4.190 -0.126 5.226 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -5.667 1.647 4.233 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -6.827 0.407 3.800 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -7.415 1.469 5.880 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -7.049 -0.167 6.149 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -5.925 1.034 6.568 1.00 3.53 H new ATOM 1475 N LEU B 569 -3.317 -3.729 0.890 1.00 0.00 N ATOM 1476 CA LEU B 569 -3.775 -4.228 -0.392 1.00 0.00 C ATOM 1477 C LEU B 569 -4.585 -5.516 -0.158 1.00 0.00 C ATOM 1478 O LEU B 569 -5.572 -5.770 -0.841 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.596 -4.502 -1.328 1.00 0.05 C ATOM 1480 CG LEU B 569 -1.910 -3.256 -1.890 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -0.681 -3.642 -2.695 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -2.879 -2.452 -2.746 1.00 1.89 C ATOM 0 H LEU B 569 -2.307 -3.778 1.022 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.403 -3.475 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -1.855 -5.094 -0.790 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -2.947 -5.111 -2.161 1.00 0.05 H new ATOM 0 HG LEU B 569 -1.592 -2.633 -1.054 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -0.206 -2.743 -3.087 1.00 2.01 H new ATOM 0 HD12 LEU B 569 0.022 -4.174 -2.054 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -0.976 -4.287 -3.523 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -2.373 -1.569 -3.137 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -3.229 -3.067 -3.575 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -3.730 -2.143 -2.139 1.00 1.89 H new ATOM 1494 N PHE B 570 -4.157 -6.321 0.812 1.00 0.00 N ATOM 1495 CA PHE B 570 -4.869 -7.553 1.147 1.00 0.00 C ATOM 1496 C PHE B 570 -6.244 -7.222 1.698 1.00 0.00 C ATOM 1497 O PHE B 570 -7.227 -7.900 1.395 1.00 0.00 O ATOM 1498 CB PHE B 570 -4.083 -8.383 2.166 1.00 0.02 C ATOM 1499 CG PHE B 570 -2.872 -9.070 1.593 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -2.933 -9.713 0.364 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -1.674 -9.081 2.288 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -1.824 -10.349 -0.157 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -0.561 -9.716 1.770 1.00 3.12 C ATOM 1504 CZ PHE B 570 -0.637 -10.351 0.547 1.00 3.77 C ATOM 0 H PHE B 570 -3.326 -6.145 1.377 1.00 0.00 H new ATOM 0 HA PHE B 570 -4.976 -8.144 0.237 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.767 -7.733 2.982 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -4.745 -9.135 2.595 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -3.859 -9.716 -0.191 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -1.609 -8.587 3.246 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -1.885 -10.845 -1.115 1.00 3.25 H new ATOM 0 HE2 PHE B 570 0.367 -9.715 2.322 1.00 3.12 H new ATOM 0 HZ PHE B 570 0.231 -10.849 0.141 1.00 3.77 H new ATOM 1514 N GLU B 571 -6.313 -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 1.803 1.00 0.00 O ATOM 1518 CB GLU B 571 -7.419 -4.504 3.920 1.00 0.01 C ATOM 1519 CG GLU B 571 -8.587 -4.251 4.865 1.00 1.13 C ATOM 1520 CD GLU B 571 -9.874 -3.913 4.137 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -10.032 -2.746 3.721 1.00 1.97 O ATOM 1522 OE2 GLU B 571 -10.723 -4.816 3.984 1.00 2.47 O ATOM 0 H GLU B 571 -5.512 -5.615 2.810 1.00 0.00 H new ATOM 0 HA GLU B 571 -8.024 -6.543 3.619 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.509 -4.624 4.508 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -7.278 -3.626 3.290 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -8.746 -5.135 5.482 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -8.332 -3.433 5.539 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 -0.141 1.00 0.00 C ATOM 1531 C PHE B 572 -9.403 -5.281 -1.087 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.084 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.272 -3.051 -0.966 1.00 0.03 C ATOM 1534 CG PHE B 572 -7.957 -1.790 -0.205 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -8.867 -1.277 0.706 1.00 1.03 C ATOM 1536 CD2 PHE B 572 -6.753 -1.126 -0.389 1.00 1.02 C ATOM 1537 CE1 PHE B 572 -8.584 -0.125 1.416 1.00 1.23 C ATOM 1538 CE2 PHE B 572 -6.465 0.025 0.320 1.00 1.21 C ATOM 1539 CZ PHE B 572 -7.366 0.549 1.179 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 -9.883 -3.747 0.323 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.344 -3.461 -1.364 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.900 -2.797 -1.820 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -9.808 -1.783 0.863 1.00 1.03 H new ATOM 0 HD2 PHE B 572 -6.032 -1.513 -1.094 1.00 1.02 H new ATOM 0 HE1 PHE B 572 -9.286 0.255 2.143 1.00 1.23 H new ATOM 0 HE2 PHE B 572 -5.510 0.510 0.186 1.00 1.21 H new ATOM 0 HZ PHE B 572 -7.156 1.481 1.683 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 -1.930 1.00 0.00 O ATOM 1553 CB MET B 573 -8.116 -8.672 -1.743 1.00 0.03 C ATOM 1554 CG MET B 573 -6.819 -8.263 -2.423 1.00 0.87 C ATOM 1555 SD MET B 573 -5.570 -9.562 -2.378 1.00 1.42 S ATOM 1556 CE MET B 573 -4.223 -8.770 -3.255 1.00 2.11 C ATOM 0 H MET B 573 -8.087 -6.668 -0.262 1.00 0.00 H new ATOM 0 HA MET B 573 -9.303 -7.244 -2.809 1.00 0.00 H new ATOM 0 HB2 MET B 573 -7.906 -8.929 -0.705 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.499 -9.572 -2.223 1.00 0.03 H new ATOM 0 HG2 MET B 573 -7.025 -7.999 -3.460 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.426 -7.369 -1.938 1.00 0.87 H new ATOM 0 HE1 MET B 573 -3.374 -9.451 -3.310 1.00 2.11 H new ATOM 0 HE2 MET B 573 -4.547 -8.512 -4.263 1.00 2.11 H new ATOM 0 HE3 MET B 573 -3.928 -7.864 -2.726 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 -6.775 0.172 1.00 0.00 C ATOM 1569 O HIS B 574 -14.435 -6.875 0.561 1.00 0.00 O ATOM 1570 CB HIS B 574 -12.211 -8.336 1.801 1.00 0.02 C ATOM 1571 CG HIS B 574 -11.439 -9.598 2.028 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -10.065 -9.630 2.145 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -11.855 -10.880 2.157 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -9.671 -10.876 2.335 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -10.737 -11.653 2.347 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 -8.779 -0.248 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -11.739 -7.526 2.357 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -13.216 -8.457 2.205 1.00 0.02 H new ATOM 0 HD2 HIS B 574 -12.876 -11.229 2.118 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -8.649 -11.203 2.459 1.00 3.20 H new ATOM 0 HE2 HIS B 574 -10.731 -12.665 2.477 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.671 -0.387 1.00 0.00 N ATOM 1585 CA GLU B 575 -13.613 -4.500 -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 -12.749 -3.298 -1.023 1.00 0.02 C ATOM 1589 CG GLU B 575 -12.165 -2.576 0.177 1.00 0.96 C ATOM 1590 CD GLU B 575 -13.235 -2.013 1.089 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -13.989 -1.124 0.642 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -13.324 -2.466 2.249 1.00 1.55 O ATOM 0 H GLU B 575 -11.810 -5.565 -0.669 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.157 -4.250 0.264 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -11.936 -3.632 -1.668 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -13.348 -2.597 -1.603 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -11.536 -3.265 0.741 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -11.522 -1.766 -0.167 1.00 0.96 H new ATOM 1599 N THR B 576 -15.881 -4.491 -1.487 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 -17.121 -3.694 -3.487 1.00 0.00 C ATOM 1602 O THR B 576 -17.652 -3.946 -4.569 1.00 0.00 O ATOM 1603 CB THR B 576 -18.263 -5.072 -1.753 1.00 0.00 C ATOM 1604 OG1 THR B 576 -18.695 -3.901 -1.052 1.00 1.33 O ATOM 1605 CG2 THR B 576 -18.145 -6.236 -0.781 1.00 1.40 C ATOM 0 H THR B 576 -16.205 -4.032 -0.636 1.00 0.00 H new ATOM 0 HA THR B 576 -16.574 -5.696 -2.970 1.00 0.00 H new ATOM 0 HB THR B 576 -18.997 -5.330 -2.516 1.00 0.00 H new ATOM 0 HG1 THR B 576 -19.552 -4.081 -0.612 1.00 1.33 H new ATOM 0 HG21 THR B 576 -19.108 -6.408 -0.301 1.00 1.40 H new ATOM 0 HG22 THR B 576 -17.844 -7.133 -1.322 1.00 1.40 H new ATOM 0 HG23 THR B 576 -17.398 -6.002 -0.023 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 -4.068 1.00 0.00 C ATOM 1615 C HIS B 577 -16.317 -1.545 -5.451 1.00 0.00 C ATOM 1616 O HIS B 577 -15.130 -1.834 -5.574 1.00 0.00 O ATOM 1617 CB HIS B 577 -16.439 -0.044 -3.462 1.00 0.04 C ATOM 1618 CG HIS B 577 -16.817 1.159 -4.271 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -16.157 1.529 -5.424 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -17.811 2.060 -4.103 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -16.729 2.610 -5.928 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -17.735 2.950 -5.146 1.00 2.79 N ATOM 0 H HIS B 577 -16.194 -2.240 -2.316 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.034 -1.296 -4.197 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -16.835 0.063 -2.452 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -15.354 -0.092 -3.375 1.00 0.04 H new ATOM 0 HD1 HIS B 577 -15.354 1.045 -5.825 1.00 2.11 H new ATOM 0 HD2 HIS B 577 -18.531 2.077 -3.298 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -16.424 3.126 -6.826 1.00 2.85 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 -16.760 -1.694 -7.859 1.00 0.00 C ATOM 1633 C ASP B 578 -15.363 -1.179 -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 -17.791 -1.112 -8.829 1.00 0.00 C ATOM 1636 CG ASP B 578 -19.187 -1.650 -8.580 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -19.909 -1.063 -7.747 1.00 2.04 O ATOM 1638 OD2 ASP B 578 -19.558 -2.656 -9.220 1.00 2.15 O ATOM 0 H ASP B 578 -18.090 -1.028 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.734 -2.781 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -17.801 -0.026 -8.736 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -17.493 -1.341 -9.852 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 -12.038 -1.884 -8.242 1.00 0.00 C ATOM 1646 O GLY B 579 -10.927 -2.212 -8.634 1.00 0.00 O ATOM 0 H GLY B 579 -14.722 -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 -1.636 -6.966 1.00 0.00 N ATOM 1651 CA VAL B 580 -11.264 -1.660 -5.944 1.00 0.00 C ATOM 1652 C VAL B 580 -10.473 -2.961 -5.925 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 -11.858 -1.412 -4.545 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -12.596 -0.083 -4.506 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -12.778 -2.549 -4.139 1.00 1.29 C ATOM 0 H VAL B 580 -13.228 -1.413 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.577 -0.855 -6.203 1.00 0.00 H new ATOM 0 HB VAL B 580 -11.037 -1.370 -3.829 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -13.009 0.075 -3.510 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -11.904 0.725 -4.744 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -13.405 -0.095 -5.236 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -13.185 -2.351 -3.147 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -13.594 -2.631 -4.857 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -12.216 -3.483 -4.121 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 -5.396 -5.966 1.00 0.00 C ATOM 1668 C GLN B 581 -9.561 -5.580 -7.143 1.00 0.00 C ATOM 1669 O GLN B 581 -8.471 -6.117 -6.987 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.573 -6.510 -5.984 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.473 -6.520 -4.762 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.398 -7.722 -4.724 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -14.515 -7.644 -4.214 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -12.933 -8.846 -5.259 1.00 1.99 N ATOM 0 H GLN B 581 -12.199 -4.120 -6.037 1.00 0.00 H new ATOM 0 HA GLN B 581 -9.945 -5.449 -5.046 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -12.189 -6.404 -6.877 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -11.065 -7.472 -6.059 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -11.857 -6.512 -3.863 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -13.069 -5.608 -4.748 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -12.000 -8.867 -5.672 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -13.509 -9.688 -5.257 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 -9.102 -5.107 -9.473 1.00 0.00 C ATOM 1685 C ASP B 582 -7.888 -4.203 -9.245 1.00 0.00 C ATOM 1686 O ASP B 582 -6.774 -4.569 -9.598 1.00 0.00 O ATOM 1687 CB ASP B 582 -9.871 -4.636 -10.711 1.00 0.00 C ATOM 1688 CG ASP B 582 -9.005 -4.612 -11.956 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -8.892 -5.662 -12.622 1.00 1.15 O ATOM 1690 OD2 ASP B 582 -8.441 -3.541 -12.265 1.00 2.23 O ATOM 0 H ASP B 582 -10.928 -4.813 -8.503 1.00 0.00 H new ATOM 0 HA ASP B 582 -8.735 -6.121 -9.630 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.724 -5.294 -10.878 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -10.269 -3.638 -10.530 1.00 0.00 H new ATOM 1695 N MET B 583 -8.111 -3.035 -8.640 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 -7.326 1.00 0.00 C ATOM 1698 O MET B 583 -4.845 -2.842 -7.539 1.00 0.00 O ATOM 1699 CB MET B 583 -7.543 -0.855 -7.676 1.00 0.02 C ATOM 1700 CG MET B 583 -6.613 0.329 -7.870 1.00 1.14 C ATOM 1701 SD MET B 583 -6.300 0.682 -9.611 1.00 1.87 S ATOM 1702 CE MET B 583 -5.154 2.050 -9.482 1.00 2.58 C ATOM 0 H MET B 583 -9.036 -2.688 -8.386 1.00 0.00 H new ATOM 0 HA MET B 583 -6.468 -1.903 -9.203 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.512 -0.622 -8.117 1.00 0.02 H new ATOM 0 HB3 MET B 583 -7.706 -1.008 -6.609 1.00 0.02 H new ATOM 0 HG2 MET B 583 -7.047 1.209 -7.396 1.00 1.14 H new ATOM 0 HG3 MET B 583 -5.667 0.130 -7.367 1.00 1.14 H new ATOM 0 HE1 MET B 583 -4.540 2.096 -10.381 1.00 2.58 H new ATOM 0 HE2 MET B 583 -5.710 2.981 -9.374 1.00 2.58 H new ATOM 0 HE3 MET B 583 -4.513 1.907 -8.612 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.623 -3.418 -6.265 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.815 -4.059 -5.234 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 -3.734 -5.231 -5.460 1.00 0.00 O ATOM 1716 CB ALA B 584 -6.712 -4.643 -4.152 1.00 0.03 C ATOM 0 H ALA B 584 -7.629 -3.457 -6.100 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.172 -3.296 -4.795 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.098 -5.119 -3.388 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.302 -3.846 -3.699 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.380 -5.383 -4.593 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 -7.045 -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 -2.511 -7.049 -8.286 1.00 0.00 O ATOM 1726 CB CYS B 585 -5.597 -8.061 -7.947 1.00 0.01 C ATOM 1727 SG CYS B 585 -4.733 -9.465 -8.690 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 -4.147 -7.520 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -6.308 -8.435 -7.210 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -6.175 -7.554 -8.720 1.00 0.01 H new ATOM 0 HG CYS B 585 -5.434 -10.546 -8.519 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.027 -5.592 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.141 -5.025 -10.109 1.00 0.00 C ATOM 1735 C ASP B 586 -1.896 -4.397 -9.488 1.00 0.00 C ATOM 1736 O ASP B 586 -0.785 -4.635 -9.949 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.892 -3.986 -10.945 1.00 0.01 C ATOM 1738 CG ASP B 586 -4.693 -4.617 -12.070 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -5.617 -5.403 -11.774 1.00 1.98 O ATOM 1740 OD2 ASP B 586 -4.395 -4.323 -13.247 1.00 0.87 O ATOM 0 H ASP B 586 -4.962 -5.185 -9.093 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.812 -5.841 -10.752 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.562 -3.420 -10.299 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -3.179 -3.277 -11.364 1.00 0.01 H new ATOM 1745 N THR B 587 -2.103 -3.607 -8.432 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 -0.171 -4.074 -7.030 1.00 0.00 C ATOM 1748 O THR B 587 1.062 -3.978 -7.012 1.00 0.00 O ATOM 1749 CB THR B 587 -1.576 -2.060 -6.583 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.515 -2.753 -5.754 1.00 1.24 O ATOM 1751 CG2 THR B 587 -2.243 -0.850 -7.218 1.00 1.30 C ATOM 0 H THR B 587 -3.034 -3.372 -8.087 1.00 0.00 H new ATOM 0 HA THR B 587 -0.429 -2.415 -8.358 1.00 0.00 H new ATOM 0 HB THR B 587 -0.741 -1.720 -5.970 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.377 -2.813 -6.216 1.00 1.24 H new ATOM 0 HG21 THR B 587 -2.622 -0.192 -6.436 1.00 1.30 H new ATOM 0 HG22 THR B 587 -1.516 -0.311 -7.825 1.00 1.30 H new ATOM 0 HG23 THR B 587 -3.069 -1.179 -7.848 1.00 1.30 H new ATOM 1759 N PHE B 588 -0.814 -5.108 -6.514 1.00 0.00 N ATOM 1760 CA PHE B 588 -0.096 -6.176 -5.828 1.00 0.00 C ATOM 1761 C PHE B 588 0.882 -6.873 -6.766 1.00 0.00 C ATOM 1762 O PHE B 588 1.939 -7.343 -6.346 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.089 -7.195 -5.259 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.435 -8.348 -4.552 1.00 0.16 C ATOM 1765 CD1 PHE B 588 -0.011 -8.222 -3.238 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.243 -9.558 -5.200 1.00 0.45 C ATOM 1767 CE1 PHE B 588 0.591 -9.281 -2.585 1.00 0.49 C ATOM 1768 CE2 PHE B 588 0.358 -10.620 -4.553 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.776 -10.481 -3.243 1.00 0.53 C ATOM 0 H PHE B 588 -1.825 -5.233 -6.555 1.00 0.00 H new ATOM 0 HA PHE B 588 0.473 -5.731 -5.012 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.759 -6.687 -4.565 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.705 -7.581 -6.071 1.00 0.02 H new ATOM 0 HD1 PHE B 588 -0.153 -7.286 -2.719 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -0.567 -9.672 -6.224 1.00 0.45 H new ATOM 0 HE1 PHE B 588 0.916 -9.170 -1.561 1.00 0.49 H new ATOM 0 HE2 PHE B 588 0.501 -11.557 -5.070 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.247 -11.310 -2.735 1.00 0.53 H new ATOM 1779 N ILE B 589 0.546 -6.951 -8.044 1.00 0.00 N ATOM 1780 CA ILE B 589 1.425 -7.698 -8.903 1.00 0.00 C ATOM 1781 C ILE B 589 2.627 -6.843 -9.280 1.00 0.00 C ATOM 1782 O ILE B 589 3.743 -7.345 -9.374 1.00 0.00 O ATOM 1783 CB ILE B 589 0.722 -8.223 -10.177 1.00 0.03 C ATOM 1784 CG1 ILE B 589 1.682 -9.098 -10.989 1.00 1.34 C ATOM 1785 CG2 ILE B 589 0.202 -7.075 -11.024 1.00 1.31 C ATOM 1786 CD1 ILE B 589 1.003 -9.890 -12.086 1.00 1.97 C ATOM 0 H ILE B 589 -0.276 -6.533 -8.481 1.00 0.00 H new ATOM 0 HA ILE B 589 1.751 -8.574 -8.343 1.00 0.00 H new ATOM 0 HB ILE B 589 -0.131 -8.829 -9.872 1.00 0.03 H new ATOM 0 HG12 ILE B 589 2.450 -8.464 -11.433 1.00 1.34 H new ATOM 0 HG13 ILE B 589 2.189 -9.789 -10.315 1.00 1.34 H new ATOM 0 HG21 ILE B 589 -0.288 -7.472 -11.913 1.00 1.31 H new ATOM 0 HG22 ILE B 589 -0.514 -6.491 -10.445 1.00 1.31 H new ATOM 0 HG23 ILE B 589 1.034 -6.437 -11.322 1.00 1.31 H new ATOM 0 HD11 ILE B 589 1.745 -10.485 -12.618 1.00 1.97 H new ATOM 0 HD12 ILE B 589 0.254 -10.550 -11.648 1.00 1.97 H new ATOM 0 HD13 ILE B 589 0.520 -9.206 -12.783 1.00 1.97 H new ATOM 1798 N LYS B 590 2.394 -5.544 -9.460 1.00 0.00 N ATOM 1799 CA LYS B 590 3.472 -4.611 -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 -4.884 -8.812 1.00 0.00 O ATOM 1802 CB LYS B 590 2.937 -3.183 -9.877 1.00 0.01 C ATOM 1803 CG LYS B 590 2.029 -2.988 -11.082 1.00 0.99 C ATOM 1804 CD LYS B 590 2.790 -3.169 -12.388 1.00 1.52 C ATOM 1805 CE LYS B 590 1.881 -2.991 -13.593 1.00 2.04 C ATOM 1806 NZ LYS B 590 2.612 -3.195 -14.875 1.00 2.62 N ATOM 0 H LYS B 590 1.468 -5.119 -9.415 1.00 0.00 H new ATOM 0 HA LYS B 590 3.950 -4.866 -10.687 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.388 -2.921 -8.972 1.00 0.01 H new ATOM 0 HB3 LYS B 590 3.778 -2.494 -9.950 1.00 0.01 H new ATOM 0 HG2 LYS B 590 1.205 -3.701 -11.038 1.00 0.99 H new ATOM 0 HG3 LYS B 590 1.590 -1.991 -11.051 1.00 0.99 H new ATOM 0 HD2 LYS B 590 3.606 -2.448 -12.437 1.00 1.52 H new ATOM 0 HD3 LYS B 590 3.239 -4.162 -12.414 1.00 1.52 H new ATOM 0 HE2 LYS B 590 1.053 -3.697 -13.531 1.00 2.04 H new ATOM 0 HE3 LYS B 590 1.448 -1.991 -13.577 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 1.957 -3.065 -15.672 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 3.386 -2.505 -14.947 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 3.003 -4.158 -14.902 1.00 2.62 H new ATOM 1820 N ILE B 591 3.973 -4.618 -7.374 1.00 0.00 N ATOM 1821 CA ILE B 591 4.791 -4.623 -6.165 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 3.979 -4.290 -4.894 1.00 0.04 C ATOM 1825 CG1 ILE B 591 2.977 -5.394 -4.574 1.00 1.27 C ATOM 1826 CG2 ILE B 591 3.270 -2.954 -5.064 1.00 1.28 C ATOM 1827 CD1 ILE B 591 2.322 -5.244 -3.219 1.00 1.96 C ATOM 0 H ILE B 591 2.973 -4.542 -7.190 1.00 0.00 H new ATOM 0 HA ILE B 591 5.523 -3.830 -6.318 1.00 0.00 H new ATOM 0 HB ILE B 591 4.671 -4.218 -4.055 1.00 0.04 H new ATOM 0 HG12 ILE B 591 2.204 -5.405 -5.342 1.00 1.27 H new ATOM 0 HG13 ILE B 591 3.485 -6.358 -4.618 1.00 1.27 H new ATOM 0 HG21 ILE B 591 2.700 -2.727 -4.163 1.00 1.28 H new ATOM 0 HG22 ILE B 591 4.008 -2.170 -5.234 1.00 1.28 H new ATOM 0 HG23 ILE B 591 2.594 -3.007 -5.917 1.00 1.28 H new ATOM 0 HD11 ILE B 591 1.622 -6.064 -3.060 1.00 1.96 H new ATOM 0 HD12 ILE B 591 3.086 -5.263 -2.442 1.00 1.96 H new ATOM 0 HD13 ILE B 591 1.785 -4.296 -3.177 1.00 1.96 H new ATOM 1839 N ALA B 592 4.879 -7.058 -6.187 1.00 0.00 N ATOM 1840 CA ALA B 592 5.545 -8.355 -6.071 1.00 0.00 C ATOM 1841 C ALA B 592 6.653 -8.529 -7.105 1.00 0.00 C ATOM 1842 O ALA B 592 7.695 -9.084 -6.797 1.00 0.00 O ATOM 1843 CB ALA B 592 4.529 -9.479 -6.198 1.00 0.00 C ATOM 0 H ALA B 592 3.892 -7.102 -6.442 1.00 0.00 H new ATOM 0 HA ALA B 592 6.010 -8.394 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.036 -10.440 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.785 -9.388 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.036 -9.416 -7.168 1.00 0.00 H new ATOM 1849 N GLN B 593 6.438 -8.063 -8.333 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 9.756 -7.732 -8.460 1.00 0.00 O ATOM 1853 CB GLN B 593 7.030 -7.608 -10.672 1.00 0.01 C ATOM 1854 CG GLN B 593 8.093 -7.633 -11.761 1.00 1.09 C ATOM 1855 CD GLN B 593 8.161 -8.962 -12.492 1.00 1.64 C ATOM 1856 OE1 GLN B 593 8.514 -9.015 -13.670 1.00 2.36 O ATOM 1857 NE2 GLN B 593 7.822 -10.044 -11.799 1.00 2.26 N ATOM 0 H GLN B 593 5.560 -7.666 -8.667 1.00 0.00 H new ATOM 0 HA GLN B 593 7.865 -9.136 -9.420 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.186 -8.221 -10.987 1.00 0.01 H new ATOM 0 HB3 GLN B 593 6.660 -6.589 -10.562 1.00 0.01 H new ATOM 0 HG2 GLN B 593 7.888 -6.839 -12.479 1.00 1.09 H new ATOM 0 HG3 GLN B 593 9.065 -7.418 -11.317 1.00 1.09 H new ATOM 0 HE21 GLN B 593 7.535 -9.956 -10.824 1.00 2.26 H new ATOM 0 HE22 GLN B 593 7.849 -10.962 -12.242 1.00 2.26 H new ATOM 1866 N LYS B 594 8.488 -5.925 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.502 -4.951 -8.484 1.00 0.00 C ATOM 1868 C LYS B 594 10.149 -5.100 -7.090 1.00 0.00 C ATOM 1869 O LYS B 594 11.267 -4.649 -6.895 1.00 0.00 O ATOM 1870 CB LYS B 594 8.909 -3.549 -8.601 1.00 0.01 C ATOM 1871 CG LYS B 594 8.418 -3.210 -9.999 1.00 0.52 C ATOM 1872 CD LYS B 594 9.566 -3.139 -10.991 1.00 1.21 C ATOM 1873 CE LYS B 594 9.079 -2.757 -12.379 1.00 1.59 C ATOM 1874 NZ LYS B 594 8.093 -3.737 -12.913 1.00 2.19 N ATOM 0 H LYS B 594 7.594 -5.508 -9.096 1.00 0.00 H new ATOM 0 HA LYS B 594 10.312 -5.133 -9.190 1.00 0.00 H new ATOM 0 HB2 LYS B 594 8.079 -3.455 -7.901 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.662 -2.819 -8.303 1.00 0.01 H new ATOM 0 HG2 LYS B 594 7.700 -3.962 -10.326 1.00 0.52 H new ATOM 0 HG3 LYS B 594 7.893 -2.255 -9.980 1.00 0.52 H new ATOM 0 HD2 LYS B 594 10.300 -2.410 -10.648 1.00 1.21 H new ATOM 0 HD3 LYS B 594 10.071 -4.104 -11.034 1.00 1.21 H new ATOM 0 HE2 LYS B 594 8.624 -1.767 -12.344 1.00 1.59 H new ATOM 0 HE3 LYS B 594 9.930 -2.693 -13.057 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 7.940 -3.559 -13.926 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 8.457 -4.702 -12.783 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 7.192 -3.635 -12.404 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 10.051 -5.878 -4.792 1.00 0.00 C ATOM 1890 C CYS B 595 10.210 -7.318 -4.325 1.00 0.00 C ATOM 1891 O CYS B 595 10.280 -7.598 -3.129 1.00 0.00 O ATOM 1892 CB CYS B 595 9.197 -5.106 -3.786 1.00 0.01 C ATOM 1893 SG CYS B 595 9.046 -3.341 -4.148 1.00 1.26 S ATOM 0 H CYS B 595 8.556 -6.158 -6.255 1.00 0.00 H new ATOM 0 HA CYS B 595 11.059 -5.466 -4.851 1.00 0.00 H new ATOM 0 HB2 CYS B 595 8.201 -5.547 -3.758 1.00 0.01 H new ATOM 0 HB3 CYS B 595 9.627 -5.227 -2.792 1.00 0.01 H new ATOM 0 HG CYS B 595 8.304 -2.774 -3.243 1.00 1.26 H new ATOM 1899 N ARG B 596 10.322 -8.219 -5.289 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 -10.140 -3.901 1.00 0.00 C ATOM 1902 O ARG B 596 10.904 -11.049 -3.147 1.00 0.00 O ATOM 1903 CB ARG B 596 10.662 -10.406 -6.316 1.00 0.01 C ATOM 1904 CG ARG B 596 10.591 -11.920 -6.185 1.00 1.21 C ATOM 1905 CD ARG B 596 11.001 -12.608 -7.476 1.00 1.42 C ATOM 1906 NE ARG B 596 10.899 -14.062 -7.379 1.00 2.09 N ATOM 1907 CZ ARG B 596 11.155 -14.887 -8.389 1.00 2.60 C ATOM 1908 NH1 ARG B 596 11.522 -14.404 -9.567 1.00 2.53 N ATOM 1909 NH2 ARG B 596 11.044 -16.199 -8.222 1.00 3.58 N ATOM 0 H ARG B 596 10.418 -7.978 -6.276 1.00 0.00 H new ATOM 0 HA ARG B 596 9.312 -9.880 -4.672 1.00 0.00 H new ATOM 0 HB2 ARG B 596 9.979 -10.086 -7.103 1.00 0.01 H new ATOM 0 HB3 ARG B 596 11.666 -10.124 -6.632 1.00 0.01 H new ATOM 0 HG2 ARG B 596 11.242 -12.247 -5.374 1.00 1.21 H new ATOM 0 HG3 ARG B 596 9.576 -12.217 -5.919 1.00 1.21 H new ATOM 0 HD2 ARG B 596 10.370 -12.254 -8.291 1.00 1.42 H new ATOM 0 HD3 ARG B 596 12.026 -12.332 -7.724 1.00 1.42 H new ATOM 0 HE ARG B 596 10.616 -14.467 -6.487 1.00 2.09 H new ATOM 0 HH11 ARG B 596 11.609 -13.397 -9.701 1.00 2.53 H new ATOM 0 HH12 ARG B 596 11.718 -15.040 -10.340 1.00 2.53 H new ATOM 0 HH21 ARG B 596 10.762 -16.576 -7.317 1.00 3.58 H new ATOM 0 HH22 ARG B 596 11.241 -16.830 -8.998 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.558 -3.791 1.00 0.00 N ATOM 1924 CA ARG B 597 13.428 -10.039 -2.802 1.00 0.00 C ATOM 1925 C ARG B 597 13.025 -9.746 -1.375 1.00 0.00 C ATOM 1926 O ARG B 597 13.342 -10.505 -0.457 1.00 0.00 O ATOM 1927 CB ARG B 597 14.795 -9.413 -3.082 1.00 0.01 C ATOM 1928 CG ARG B 597 15.893 -9.902 -2.151 1.00 1.27 C ATOM 1929 CD ARG B 597 17.186 -9.134 -2.365 1.00 1.71 C ATOM 1930 NE ARG B 597 17.602 -9.149 -3.765 1.00 2.17 N ATOM 1931 CZ ARG B 597 18.640 -8.463 -4.234 1.00 2.92 C ATOM 1932 NH1 ARG B 597 19.366 -7.712 -3.416 1.00 3.29 N ATOM 1933 NH2 ARG B 597 18.950 -8.526 -5.522 1.00 3.74 N ATOM 0 H ARG B 597 12.766 -8.771 -4.358 1.00 0.00 H new ATOM 0 HA ARG B 597 13.471 -11.123 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG B 597 15.080 -9.630 -4.111 1.00 0.01 H new ATOM 0 HB3 ARG B 597 14.713 -8.330 -2.996 1.00 0.01 H new ATOM 0 HG2 ARG B 597 15.570 -9.792 -1.116 1.00 1.27 H new ATOM 0 HG3 ARG B 597 16.068 -10.965 -2.319 1.00 1.27 H new ATOM 0 HD2 ARG B 597 17.055 -8.103 -2.036 1.00 1.71 H new ATOM 0 HD3 ARG B 597 17.973 -9.568 -1.748 1.00 1.71 H new ATOM 0 HE ARG B 597 17.066 -9.718 -4.420 1.00 2.17 H new ATOM 0 HH11 ARG B 597 19.128 -7.660 -2.425 1.00 3.29 H new ATOM 0 HH12 ARG B 597 20.162 -7.187 -3.778 1.00 3.29 H new ATOM 0 HH21 ARG B 597 18.392 -9.101 -6.153 1.00 3.74 H new ATOM 0 HH22 ARG B 597 19.746 -8.000 -5.881 1.00 3.74 H new ATOM 1947 N HIS B 598 12.337 -8.626 -1.192 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 11.492 -6.689 0.053 1.00 0.02 C ATOM 1952 CG HIS B 598 12.598 -5.686 -0.025 1.00 0.83 C ATOM 1953 ND1 HIS B 598 13.267 -5.218 1.086 1.00 1.71 N ATOM 1954 CD2 HIS B 598 13.160 -5.068 -1.089 1.00 1.62 C ATOM 1955 CE1 HIS B 598 14.192 -4.356 0.710 1.00 2.14 C ATOM 1956 NE2 HIS B 598 14.149 -4.248 -0.605 1.00 2.04 N ATOM 0 H HIS B 598 12.005 -8.037 -1.956 1.00 0.00 H new ATOM 0 HA HIS B 598 12.897 -8.167 0.740 1.00 0.00 H new ATOM 0 HB2 HIS B 598 10.852 -6.583 -0.823 1.00 0.02 H new ATOM 0 HB3 HIS B 598 10.876 -6.474 0.926 1.00 0.02 H new ATOM 0 HD1 HIS B 598 13.076 -5.495 2.049 1.00 1.71 H new ATOM 0 HD2 HIS B 598 12.883 -5.196 -2.125 1.00 1.62 H new ATOM 0 HE1 HIS B 598 14.869 -3.829 1.366 1.00 2.14 H new ATOM 1965 N PHE B 599 10.462 -10.002 0.091 1.00 0.00 N ATOM 1966 CA PHE B 599 9.401 -10.869 0.597 1.00 0.00 C ATOM 1967 C PHE B 599 9.969 -12.220 0.987 1.00 0.00 C ATOM 1968 O PHE B 599 9.341 -12.989 1.717 1.00 0.00 O ATOM 1969 CB PHE B 599 8.303 -11.050 -0.454 1.00 0.06 C ATOM 1970 CG PHE B 599 7.651 -9.763 -0.879 1.00 1.01 C ATOM 1971 CD1 PHE B 599 6.801 -9.085 -0.021 1.00 1.94 C ATOM 1972 CD2 PHE B 599 7.886 -9.235 -2.139 1.00 1.40 C ATOM 1973 CE1 PHE B 599 6.197 -7.905 -0.410 1.00 2.87 C ATOM 1974 CE2 PHE B 599 7.285 -8.055 -2.534 1.00 2.28 C ATOM 1975 CZ PHE B 599 6.440 -7.388 -1.668 1.00 2.95 C ATOM 0 H PHE B 599 10.786 -10.235 -0.848 1.00 0.00 H new ATOM 0 HA PHE B 599 8.965 -10.397 1.478 1.00 0.00 H new ATOM 0 HB2 PHE B 599 8.729 -11.537 -1.331 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.540 -11.719 -0.057 1.00 0.06 H new ATOM 0 HD1 PHE B 599 6.608 -9.484 0.964 1.00 1.94 H new ATOM 0 HD2 PHE B 599 8.546 -9.752 -2.820 1.00 1.40 H new ATOM 0 HE1 PHE B 599 5.535 -7.387 0.269 1.00 2.87 H new ATOM 0 HE2 PHE B 599 7.476 -7.655 -3.519 1.00 2.28 H new ATOM 0 HZ PHE B 599 5.971 -6.465 -1.974 1.00 2.95 H new ATOM 1985 N VAL B 600 11.173 -12.490 0.492 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 12.990 -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 12.398 -14.317 -0.654 1.00 0.01 C ATOM 1990 CG1 VAL B 600 11.267 -14.577 -1.636 1.00 1.42 C ATOM 1991 CG2 VAL B 600 13.419 -13.362 -1.250 1.00 1.42 C ATOM 0 H VAL B 600 11.714 -11.819 -0.053 1.00 0.00 H new ATOM 0 HA VAL B 600 11.092 -14.460 1.053 1.00 0.00 H new ATOM 0 HB VAL B 600 12.900 -15.263 -0.449 1.00 0.01 H new ATOM 0 HG11 VAL B 600 11.677 -14.965 -2.569 1.00 1.42 H new ATOM 0 HG12 VAL B 600 10.577 -15.306 -1.212 1.00 1.42 H new ATOM 0 HG13 VAL B 600 10.735 -13.646 -1.833 1.00 1.42 H new ATOM 0 HG21 VAL B 600 13.796 -13.771 -2.187 1.00 1.42 H new ATOM 0 HG22 VAL B 600 12.948 -12.397 -1.439 1.00 1.42 H new ATOM 0 HG23 VAL B 600 14.246 -13.231 -0.552 1.00 1.42 H new ATOM 2001 N GLN B 601 13.523 -12.455 1.866 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 -11.604 4.127 1.00 0.00 C ATOM 2004 O GLN B 601 13.165 -10.690 4.049 1.00 0.00 O ATOM 2005 CB GLN B 601 15.698 -11.423 2.302 1.00 0.01 C ATOM 2006 CG GLN B 601 15.313 -9.983 2.002 1.00 1.31 C ATOM 2007 CD GLN B 601 16.491 -9.147 1.540 1.00 1.73 C ATOM 2008 OE1 GLN B 601 16.335 -8.218 0.748 1.00 2.34 O ATOM 2009 NE2 GLN B 601 17.681 -9.469 2.037 1.00 2.31 N ATOM 0 H GLN B 601 13.267 -11.621 1.337 1.00 0.00 H new ATOM 0 HA GLN B 601 14.929 -13.251 3.138 1.00 0.00 H new ATOM 0 HB2 GLN B 601 16.524 -11.428 3.014 1.00 0.01 H new ATOM 0 HB3 GLN B 601 16.063 -11.890 1.387 1.00 0.01 H new ATOM 0 HG2 GLN B 601 14.540 -9.970 1.234 1.00 1.31 H new ATOM 0 HG3 GLN B 601 14.881 -9.533 2.896 1.00 1.31 H new ATOM 0 HE21 GLN B 601 17.767 -10.247 2.691 1.00 2.31 H new ATOM 0 HE22 GLN B 601 18.508 -8.938 1.764 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 -10.072 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 14.628 -12.288 7.759 1.00 0.01 C ATOM 2023 CG1 VAL B 602 13.983 -13.655 7.918 1.00 1.37 C ATOM 2024 CG2 VAL B 602 16.133 -12.421 7.589 1.00 1.36 C ATOM 0 H VAL B 602 15.119 -12.839 5.366 1.00 0.00 H new ATOM 0 HA VAL B 602 12.927 -11.649 6.638 1.00 0.00 H new ATOM 0 HB VAL B 602 14.439 -11.711 8.664 1.00 0.01 H new ATOM 0 HG11 VAL B 602 14.433 -14.173 8.765 1.00 1.37 H new ATOM 0 HG12 VAL B 602 12.914 -13.535 8.093 1.00 1.37 H new ATOM 0 HG13 VAL B 602 14.139 -14.239 7.011 1.00 1.37 H new ATOM 0 HG21 VAL B 602 16.550 -12.957 8.442 1.00 1.36 H new ATOM 0 HG22 VAL B 602 16.348 -12.972 6.674 1.00 1.36 H new ATOM 0 HG23 VAL B 602 16.581 -11.429 7.529 1.00 1.36 H new ATOM 2034 N GLN B 603 13.400 -9.208 6.830 1.00 0.00 N ATOM 2035 CA GLN B 603 13.615 -7.762 6.859 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 12.402 -7.038 6.271 1.00 0.02 C ATOM 2039 CG GLN B 603 11.098 -7.368 6.979 1.00 1.20 C ATOM 2040 CD GLN B 603 9.896 -6.714 6.325 1.00 1.93 C ATOM 2041 OE1 GLN B 603 9.281 -7.283 5.423 1.00 2.58 O ATOM 2042 NE2 GLN B 603 9.553 -5.516 6.781 1.00 2.68 N ATOM 0 H GLN B 603 12.430 -9.488 6.979 1.00 0.00 H new ATOM 0 HA GLN B 603 14.492 -7.524 6.257 1.00 0.00 H new ATOM 0 HB2 GLN B 603 12.571 -5.962 6.321 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.310 -7.298 5.216 1.00 0.02 H new ATOM 0 HG2 GLN B 603 10.958 -8.449 6.989 1.00 1.20 H new ATOM 0 HG3 GLN B 603 11.162 -7.045 8.018 1.00 1.20 H new ATOM 0 HE21 GLN B 603 10.092 -5.082 7.530 1.00 2.68 H new ATOM 0 HE22 GLN B 603 8.750 -5.029 6.382 1.00 2.68 H new ATOM 2051 N VAL B 604 14.324 -6.065 8.466 1.00 0.00 N ATOM 2052 CA VAL B 604 14.675 -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 9.744 1.00 0.01 C ATOM 2056 CG1 VAL B 604 15.964 -3.890 11.133 1.00 1.27 C ATOM 2057 CG2 VAL B 604 16.696 -4.483 8.814 1.00 1.27 C ATOM 0 H VAL B 604 14.465 -5.383 7.721 1.00 0.00 H new ATOM 0 HA VAL B 604 15.260 -6.407 10.256 1.00 0.00 H new ATOM 0 HB VAL B 604 14.874 -3.514 9.345 1.00 0.01 H new ATOM 0 HG11 VAL B 604 16.549 -2.973 11.063 1.00 1.27 H new ATOM 0 HG12 VAL B 604 15.094 -3.718 11.767 1.00 1.27 H new ATOM 0 HG13 VAL B 604 16.578 -4.680 11.566 1.00 1.27 H new ATOM 0 HG21 VAL B 604 17.271 -3.558 8.780 1.00 1.27 H new ATOM 0 HG22 VAL B 604 17.329 -5.291 9.182 1.00 1.27 H new ATOM 0 HG23 VAL B 604 16.342 -4.727 7.812 1.00 1.27 H new ATOM 2067 N GLY B 605 13.474 -5.932 11.883 1.00 0.00 N ATOM 2068 CA GLY B 605 12.338 -5.852 12.773 1.00 0.00 C ATOM 2069 C GLY B 605 11.400 -7.023 12.602 1.00 0.00 C ATOM 2070 O GLY B 605 10.308 -7.037 13.157 1.00 0.00 O ATOM 0 H GLY B 605 14.266 -6.459 12.250 1.00 0.00 H new ATOM 0 HA2 GLY B 605 12.688 -5.816 13.805 1.00 0.00 H new ATOM 0 HA3 GLY B 605 11.797 -4.924 12.587 1.00 0.00 H new ATOM 2074 N GLU B 606 11.788 -8.000 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 11.811 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 -9.201 10.315 1.00 0.02 C ATOM 2079 CG GLU B 606 9.190 -10.281 10.186 1.00 1.16 C ATOM 2080 CD GLU B 606 8.060 -10.110 11.182 1.00 1.64 C ATOM 2081 OE1 GLU B 606 8.175 -10.644 12.306 1.00 2.51 O ATOM 2082 OE2 GLU B 606 7.063 -9.442 10.839 1.00 1.84 O ATOM 0 H GLU B 606 12.640 -7.992 11.234 1.00 0.00 H new ATOM 0 HA GLU B 606 10.225 -9.191 12.465 1.00 0.00 H new ATOM 0 HB2 GLU B 606 9.788 -8.227 10.157 1.00 0.02 H new ATOM 0 HB3 GLU B 606 10.990 -9.334 9.524 1.00 0.02 H new ATOM 0 HG2 GLU B 606 8.783 -10.266 9.175 1.00 1.16 H new ATOM 0 HG3 GLU B 606 9.651 -11.258 10.330 1.00 1.16 H new ATOM 2089 N VAL B 607 11.152 -11.537 12.163 1.00 0.00 N ATOM 2090 CA VAL B 607 11.815 -12.798 12.446 1.00 0.00 C ATOM 2091 C VAL B 607 11.680 -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 11.267 -13.434 13.740 1.00 0.01 C ATOM 2094 CG1 VAL B 607 9.803 -13.813 13.579 1.00 1.40 C ATOM 2095 CG2 VAL B 607 12.100 -14.645 14.138 1.00 1.40 C ATOM 0 H VAL B 607 10.137 -11.571 12.261 1.00 0.00 H new ATOM 0 HA VAL B 607 12.872 -12.564 12.570 1.00 0.00 H new ATOM 0 HB VAL B 607 11.338 -12.695 14.538 1.00 0.01 H new ATOM 0 HG11 VAL B 607 9.439 -14.260 14.504 1.00 1.40 H new ATOM 0 HG12 VAL B 607 9.219 -12.921 13.352 1.00 1.40 H new ATOM 0 HG13 VAL B 607 9.700 -14.531 12.765 1.00 1.40 H new ATOM 0 HG21 VAL B 607 11.697 -15.079 15.053 1.00 1.40 H new ATOM 0 HG22 VAL B 607 12.068 -15.387 13.340 1.00 1.40 H new ATOM 0 HG23 VAL B 607 13.132 -14.337 14.306 1.00 1.40 H new ATOM 2105 N MET B 608 10.664 -13.622 10.462 1.00 0.00 N ATOM 2106 CA MET B 608 10.375 -14.596 9.409 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 9.351 -12.928 8.029 1.00 0.00 O ATOM 2109 CB MET B 608 9.226 -15.509 9.837 1.00 0.01 C ATOM 2110 CG MET B 608 9.622 -16.527 10.894 1.00 1.32 C ATOM 2111 SD MET B 608 10.923 -17.641 10.327 1.00 2.02 S ATOM 2112 CE MET B 608 11.125 -18.688 11.766 1.00 2.68 C ATOM 0 H MET B 608 10.031 -12.823 10.487 1.00 0.00 H new ATOM 0 HA MET B 608 11.281 -15.184 9.262 1.00 0.00 H new ATOM 0 HB2 MET B 608 8.410 -14.897 10.221 1.00 0.01 H new ATOM 0 HB3 MET B 608 8.845 -16.035 8.962 1.00 0.01 H new ATOM 0 HG2 MET B 608 9.960 -16.004 11.789 1.00 1.32 H new ATOM 0 HG3 MET B 608 8.746 -17.111 11.178 1.00 1.32 H new ATOM 0 HE1 MET B 608 11.898 -19.431 11.570 1.00 2.68 H new ATOM 0 HE2 MET B 608 11.416 -18.078 12.622 1.00 2.68 H new ATOM 0 HE3 MET B 608 10.184 -19.193 11.984 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 7.906 -14.633 5.703 1.00 0.00 O ATOM 2126 CB PRO B 609 10.728 -15.090 4.697 1.00 0.01 C ATOM 2127 CG PRO B 609 10.960 -16.295 5.550 1.00 0.43 C ATOM 2128 CD PRO B 609 11.291 -15.777 6.919 1.00 0.02 C ATOM 0 HA PRO B 609 10.700 -13.028 5.496 1.00 0.00 H new ATOM 0 HB2 PRO B 609 9.997 -15.298 3.916 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.647 -14.780 4.199 1.00 0.01 H new ATOM 0 HG2 PRO B 609 10.074 -16.930 5.577 1.00 0.43 H new ATOM 0 HG3 PRO B 609 11.775 -16.901 5.155 1.00 0.43 H new ATOM 0 HD2 PRO B 609 11.007 -16.482 7.700 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.358 -15.586 7.035 1.00 0.02 H new ATOM 2136 N PHE B 610 8.362 -12.550 4.949 1.00 0.00 N ATOM 2137 CA PHE B 610 6.960 -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 4.186 1.00 0.00 O ATOM 2140 CB PHE B 610 6.868 -10.741 4.225 1.00 0.01 C ATOM 2141 CG PHE B 610 5.476 -10.175 4.233 1.00 0.79 C ATOM 2142 CD1 PHE B 610 4.837 -9.887 5.428 1.00 0.80 C ATOM 2143 CD2 PHE B 610 4.806 -9.933 3.044 1.00 1.65 C ATOM 2144 CE1 PHE B 610 3.557 -9.369 5.438 1.00 1.48 C ATOM 2145 CE2 PHE B 610 3.525 -9.415 3.048 1.00 2.37 C ATOM 2146 CZ PHE B 610 2.903 -9.124 4.252 1.00 2.25 C ATOM 0 H PHE B 610 9.029 -11.843 4.640 1.00 0.00 H new ATOM 0 HA PHE B 610 6.523 -12.152 5.816 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.525 -10.076 4.785 1.00 0.01 H new ATOM 0 HB3 PHE B 610 7.236 -10.763 3.199 1.00 0.01 H new ATOM 0 HD1 PHE B 610 5.346 -10.070 6.363 1.00 0.80 H new ATOM 0 HD2 PHE B 610 5.291 -10.152 2.104 1.00 1.65 H new ATOM 0 HE1 PHE B 610 3.069 -9.156 6.377 1.00 1.48 H new ATOM 0 HE2 PHE B 610 3.010 -9.237 2.116 1.00 2.37 H new ATOM 0 HZ PHE B 610 1.907 -8.706 4.259 1.00 2.25 H new ATOM 2156 N ILE B 611 6.821 -13.748 2.966 1.00 0.00 N ATOM 2157 CA ILE B 611 6.181 -14.735 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.443 -15.792 2.937 1.00 0.00 C ATOM 2159 O ILE B 611 4.299 -16.152 2.638 1.00 0.00 O ATOM 2160 CB ILE B 611 7.201 -15.426 1.167 1.00 0.02 C ATOM 2161 CG1 ILE B 611 6.506 -16.491 0.312 1.00 1.20 C ATOM 2162 CG2 ILE B 611 8.333 -16.040 1.976 1.00 1.20 C ATOM 2163 CD1 ILE B 611 7.386 -17.066 -0.777 1.00 1.84 C ATOM 0 H ILE B 611 7.803 -13.576 2.751 1.00 0.00 H new ATOM 0 HA ILE B 611 5.463 -14.201 1.475 1.00 0.00 H new ATOM 0 HB ILE B 611 7.627 -14.675 0.502 1.00 0.02 H new ATOM 0 HG12 ILE B 611 6.168 -17.300 0.959 1.00 1.20 H new ATOM 0 HG13 ILE B 611 5.617 -16.055 -0.144 1.00 1.20 H new ATOM 0 HG21 ILE B 611 9.042 -16.522 1.303 1.00 1.20 H new ATOM 0 HG22 ILE B 611 8.843 -15.259 2.540 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.927 -16.780 2.666 1.00 1.20 H new ATOM 0 HD11 ILE B 611 6.827 -17.813 -1.340 1.00 1.84 H new ATOM 0 HD12 ILE B 611 7.703 -16.268 -1.448 1.00 1.84 H new ATOM 0 HD13 ILE B 611 8.263 -17.532 -0.328 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 5.564 -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 3.240 -17.630 5.393 1.00 0.00 O ATOM 2179 CB ASP B 612 6.522 -17.422 6.095 1.00 0.01 C ATOM 2180 CG ASP B 612 5.994 -18.407 7.121 1.00 1.14 C ATOM 2181 OD1 ASP B 612 6.206 -19.623 6.941 1.00 1.26 O ATOM 2182 OD2 ASP B 612 5.369 -17.959 8.106 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 5.445 -18.170 4.374 1.00 0.00 H new ATOM 0 HB2 ASP B 612 7.485 -17.771 5.723 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.696 -16.459 6.576 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.621 5.947 1.00 0.00 N ATOM 2188 CA GLU B 613 2.781 -15.154 6.458 1.00 0.00 C ATOM 2189 C GLU B 613 1.740 -15.176 5.356 1.00 0.00 C ATOM 2190 O GLU B 613 0.561 -15.494 5.594 1.00 0.00 O ATOM 2191 CB GLU B 613 2.916 -13.739 7.023 1.00 0.01 C ATOM 2192 CG GLU B 613 3.951 -13.620 8.129 1.00 1.17 C ATOM 2193 CD GLU B 613 3.606 -14.457 9.345 1.00 1.82 C ATOM 2194 OE1 GLU B 613 4.002 -15.641 9.382 1.00 2.66 O ATOM 2195 OE2 GLU B 613 2.938 -13.929 10.258 1.00 2.11 O ATOM 0 H GLU B 613 4.826 -14.946 6.016 1.00 0.00 H new ATOM 0 HA GLU B 613 2.462 -15.822 7.258 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.181 -13.058 6.214 1.00 0.01 H new ATOM 0 HB3 GLU B 613 1.948 -13.416 7.407 1.00 0.01 H new ATOM 0 HG2 GLU B 613 4.924 -13.928 7.745 1.00 1.17 H new ATOM 0 HG3 GLU B 613 4.041 -12.575 8.426 1.00 1.17 H new ATOM 2202 N ILE B 614 2.168 -14.838 4.144 1.00 0.00 N ATOM 2203 CA ILE B 614 1.253 -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 -0.443 -16.498 2.536 1.00 0.00 O ATOM 2206 CB ILE B 614 1.917 -14.275 1.746 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.404 -12.848 2.007 1.00 1.10 C ATOM 2208 CG2 ILE B 614 0.942 -14.302 0.574 1.00 1.11 C ATOM 2209 CD1 ILE B 614 3.190 -12.254 0.858 1.00 1.76 C ATOM 0 H ILE B 614 3.123 -14.554 3.924 1.00 0.00 H new ATOM 0 HA ILE B 614 0.403 -14.235 3.294 1.00 0.00 H new ATOM 0 HB ILE B 614 2.779 -14.892 1.491 1.00 0.05 H new ATOM 0 HG12 ILE B 614 1.543 -12.212 2.214 1.00 1.10 H new ATOM 0 HG13 ILE B 614 3.026 -12.844 2.902 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.426 -13.889 -0.311 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.640 -15.330 0.376 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.063 -13.706 0.819 1.00 1.11 H new ATOM 0 HD11 ILE B 614 3.502 -11.242 1.115 1.00 1.76 H new ATOM 0 HD12 ILE B 614 4.070 -12.867 0.664 1.00 1.76 H new ATOM 0 HD13 ILE B 614 2.565 -12.225 -0.034 1.00 1.76 H new ATOM 2221 N LEU B 615 1.670 -17.240 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.307 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 -0.355 -20.159 2.976 1.00 0.00 O ATOM 2225 CB LEU B 615 2.647 -19.442 2.174 1.00 0.01 C ATOM 2226 CG LEU B 615 2.457 -20.918 1.817 1.00 1.09 C ATOM 2227 CD1 LEU B 615 1.828 -21.064 0.439 1.00 1.70 C ATOM 2228 CD2 LEU B 615 3.787 -21.654 1.874 1.00 1.84 C ATOM 0 H LEU B 615 2.661 -17.071 2.806 1.00 0.00 H new ATOM 0 HA LEU B 615 0.819 -18.618 1.358 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.271 -18.978 1.411 1.00 0.01 H new ATOM 0 HB3 LEU B 615 3.194 -19.380 3.115 1.00 0.01 H new ATOM 0 HG LEU B 615 1.782 -21.362 2.549 1.00 1.09 H new ATOM 0 HD11 LEU B 615 1.702 -22.121 0.207 1.00 1.70 H new ATOM 0 HD12 LEU B 615 0.855 -20.572 0.429 1.00 1.70 H new ATOM 0 HD13 LEU B 615 2.475 -20.603 -0.307 1.00 1.70 H new ATOM 0 HD21 LEU B 615 3.634 -22.702 1.618 1.00 1.84 H new ATOM 0 HD22 LEU B 615 4.482 -21.205 1.165 1.00 1.84 H new ATOM 0 HD23 LEU B 615 4.199 -21.583 2.881 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 5.707 1.00 0.00 C ATOM 2243 O ASN B 616 -2.500 -19.269 6.569 1.00 0.00 O ATOM 2244 CB ASN B 616 0.416 -19.204 6.990 1.00 0.02 C ATOM 2245 CG ASN B 616 -0.283 -19.901 8.140 1.00 1.19 C ATOM 2246 OD1 ASN B 616 -1.123 -19.312 8.821 1.00 2.06 O ATOM 2247 ND2 ASN B 616 0.060 -21.164 8.361 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 -0.377 -20.495 5.418 1.00 0.00 H new ATOM 0 HB2 ASN B 616 1.445 -19.559 6.928 1.00 0.02 H new ATOM 0 HB3 ASN B 616 0.460 -18.134 7.193 1.00 0.02 H new ATOM 0 HD21 ASN B 616 -0.378 -21.686 9.120 1.00 1.95 H new ATOM 0 HD22 ASN B 616 0.761 -21.613 7.772 1.00 1.95 H new ATOM 2254 N ASN B 617 -2.039 -18.005 4.771 1.00 0.00 N ATOM 2255 CA ASN B 617 -3.313 -17.302 4.762 1.00 0.00 C ATOM 2256 C ASN B 617 -3.877 -17.110 3.368 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 -3.219 -15.956 5.500 1.00 0.03 C ATOM 2259 CG ASN B 617 -2.235 -14.966 4.891 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -1.572 -14.224 5.616 1.00 1.96 O ATOM 2261 ND2 ASN B 617 -2.153 -14.917 3.567 1.00 1.97 N ATOM 0 H ASN B 617 -1.426 -17.759 3.994 1.00 0.00 H new ATOM 0 HA ASN B 617 -4.012 -17.944 5.298 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -4.208 -15.498 5.521 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -2.932 -16.143 6.535 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -1.525 -14.249 3.119 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -2.717 -15.547 2.997 1.00 1.97 H new ATOM 2268 N ILE B 618 -3.357 -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 -17.583 0.989 1.00 0.00 C ATOM 2271 O ILE B 618 -5.922 -16.677 0.393 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.314 -18.751 0.084 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -3.853 -18.547 -1.335 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -3.706 -20.121 0.619 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -3.264 -19.505 -2.351 1.00 2.01 C ATOM 0 H ILE B 618 -2.642 -18.563 2.516 1.00 0.00 H new ATOM 0 HA ILE B 618 -3.420 -16.686 0.678 1.00 0.00 H new ATOM 0 HB ILE B 618 -2.226 -18.698 0.044 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -4.937 -18.664 -1.323 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -3.646 -17.524 -1.650 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -3.340 -20.894 -0.057 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -3.268 -20.265 1.607 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -4.792 -20.187 0.691 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -3.692 -19.302 -3.333 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -2.183 -19.373 -2.392 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -3.493 -20.530 -2.060 1.00 2.01 H new ATOM 2287 N ASN B 619 -5.976 -18.537 1.658 1.00 0.00 N ATOM 2288 CA ASN B 619 -7.422 -18.615 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.120 -17.400 2.222 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 -7.897 -19.884 2.331 1.00 0.01 C ATOM 2292 CG ASN B 619 -7.466 -19.936 3.786 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -6.401 -19.437 4.151 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -8.297 -20.542 4.626 1.00 2.18 N ATOM 0 H ASN B 619 -5.519 -19.253 2.223 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.695 -18.640 0.563 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -8.984 -19.941 2.276 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -7.505 -20.757 1.809 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -8.063 -20.608 5.617 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -9.169 -20.942 4.281 1.00 2.18 H new ATOM 2301 N THR B 620 -7.735 -17.027 3.435 1.00 0.00 N ATOM 2302 CA THR B 620 -8.360 -15.874 4.060 1.00 0.00 C ATOM 2303 C THR B 620 -8.211 -14.641 3.185 1.00 0.00 C ATOM 2304 O THR B 620 -9.098 -13.803 3.160 1.00 0.00 O ATOM 2305 CB THR B 620 -7.757 -15.584 5.447 1.00 0.02 C ATOM 2306 OG1 THR B 620 -6.341 -15.405 5.338 1.00 1.27 O ATOM 2307 CG2 THR B 620 -8.059 -16.718 6.415 1.00 1.32 C ATOM 0 H THR B 620 -7.016 -17.490 3.990 1.00 0.00 H new ATOM 0 HA THR B 620 -9.417 -16.111 4.181 1.00 0.00 H new ATOM 0 HB THR B 620 -8.208 -14.670 5.832 1.00 0.02 H new ATOM 0 HG1 THR B 620 -6.047 -15.661 4.439 1.00 1.27 H new ATOM 0 HG21 THR B 620 -7.623 -16.491 7.388 1.00 1.32 H new ATOM 0 HG22 THR B 620 -9.138 -16.831 6.518 1.00 1.32 H new ATOM 0 HG23 THR B 620 -7.632 -17.645 6.033 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.109 -14.545 2.431 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 -5.383 -13.106 1.313 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -4.749 -14.202 0.459 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -4.637 -12.963 2.631 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -3.377 -13.839 -0.070 1.00 2.00 C ATOM 0 H ILE B 621 -6.372 -15.249 2.396 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.297 -12.563 2.171 1.00 0.00 H new ATOM 0 HB ILE B 621 -5.308 -12.173 0.755 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -4.672 -15.114 1.051 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -5.407 -14.423 -0.382 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -3.582 -12.772 2.433 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -5.056 -12.132 3.198 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -4.737 -13.883 3.207 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -2.988 -14.663 -0.667 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -3.451 -12.945 -0.689 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -2.704 -13.647 0.766 1.00 2.00 H new ATOM 2334 N ILE B 622 -7.706 -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 -7.755 -15.574 -2.669 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -7.950 -16.985 -2.103 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -6.275 -15.272 -2.871 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -7.411 -18.084 -2.996 1.00 2.09 C ATOM 0 H ILE B 622 -7.307 -15.405 -0.136 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.267 -13.516 -2.111 1.00 0.00 H new ATOM 0 HB ILE B 622 -8.250 -15.523 -3.639 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -7.460 -17.047 -1.131 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -9.014 -17.155 -1.936 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -5.839 -16.018 -3.536 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -6.163 -14.282 -3.313 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -5.763 -15.300 -1.909 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -7.586 -19.052 -2.527 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -7.918 -18.051 -3.960 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -6.341 -17.941 -3.143 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 -15.691 -1.775 1.00 0.00 O ATOM 2357 CB CYS B 623 -12.193 -14.881 1.172 1.00 0.01 C ATOM 2358 SG CYS B 623 -13.946 -15.066 1.577 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 -11.877 -16.512 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -11.600 -15.392 1.930 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -11.929 -13.825 1.220 1.00 0.01 H new ATOM 0 HG CYS B 623 -14.171 -14.579 2.761 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.613 -1.403 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.836 -12.879 -2.055 1.00 0.00 C ATOM 2366 C ASP B 624 -13.489 -12.596 -3.497 1.00 0.00 C ATOM 2367 O ASP B 624 -14.324 -12.082 -4.247 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.105 -11.568 -1.313 1.00 0.01 C ATOM 2369 CG ASP B 624 -15.307 -10.824 -1.861 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -16.439 -11.116 -1.419 1.00 1.01 O ATOM 2371 OD2 ASP B 624 -15.118 -9.948 -2.731 1.00 2.07 O ATOM 0 H ASP B 624 -12.004 -13.025 -1.095 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.737 -13.492 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -14.264 -11.779 -0.256 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -13.225 -10.929 -1.381 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.251 -12.907 -3.883 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.756 -12.556 -5.212 1.00 0.00 C ATOM 2378 C LEU B 625 -12.404 -13.418 -6.308 1.00 0.00 C ATOM 2379 O LEU B 625 -12.734 -14.584 -6.069 1.00 0.00 O ATOM 2380 CB LEU B 625 -10.234 -12.716 -5.267 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.449 -11.845 -4.283 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -7.953 -12.065 -4.453 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -9.798 -10.377 -4.476 1.00 1.67 C ATOM 0 H LEU B 625 -11.577 -13.399 -3.297 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.024 -11.516 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.988 -13.761 -5.078 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.897 -12.487 -6.278 1.00 0.06 H new ATOM 0 HG LEU B 625 -9.726 -12.134 -3.269 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -7.410 -11.438 -3.746 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -7.716 -13.112 -4.266 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -7.660 -11.803 -5.470 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -9.231 -9.772 -3.768 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -9.549 -10.074 -5.493 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -10.865 -10.231 -4.305 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.604 -12.840 -7.492 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.106 -13.585 -8.647 1.00 0.00 C ATOM 2397 C GLN B 626 -11.973 -14.417 -9.224 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 -13.656 -12.618 -9.700 1.00 0.01 C ATOM 2400 CG GLN B 626 -14.836 -11.794 -9.208 1.00 0.94 C ATOM 2401 CD GLN B 626 -15.366 -10.845 -10.265 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -14.616 -10.358 -11.110 1.00 2.35 O ATOM 2403 NE2 GLN B 626 -16.666 -10.577 -10.222 1.00 2.33 N ATOM 0 H GLN B 626 -12.425 -11.853 -7.677 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.917 -14.244 -8.338 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -12.859 -11.945 -10.015 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -13.961 -13.185 -10.579 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -15.636 -12.464 -8.893 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -14.534 -11.222 -8.330 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -17.251 -11.003 -9.503 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -17.079 -9.945 -10.908 1.00 2.33 H new ATOM 2412 N PRO B 627 -12.303 -15.427 -10.034 1.00 0.00 N ATOM 2413 CA PRO B 627 -11.276 -16.305 -10.610 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 -16.022 -11.067 1.00 0.00 O ATOM 2416 CB PRO B 627 -12.040 -17.102 -11.680 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.392 -16.468 -11.784 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.652 -15.814 -10.460 1.00 0.01 C ATOM 0 HA PRO B 627 -10.822 -16.902 -9.818 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.519 -17.068 -12.637 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -12.123 -18.152 -11.399 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -13.417 -15.736 -12.591 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -14.155 -17.214 -12.006 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.312 -14.952 -10.555 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.121 -16.498 -9.753 1.00 0.01 H new ATOM 2426 N GLN B 628 -10.335 -14.549 -12.002 1.00 0.00 N ATOM 2427 CA GLN B 628 -9.275 -13.891 -12.732 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 -7.089 -13.319 -11.878 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.851 -12.855 -13.704 1.00 0.01 C ATOM 2431 CG GLN B 628 -10.669 -11.765 -13.025 1.00 1.30 C ATOM 2432 CD GLN B 628 -11.212 -10.743 -14.008 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -11.372 -9.569 -13.673 1.00 2.62 O ATOM 2434 NE2 GLN B 628 -11.506 -11.184 -15.226 1.00 2.58 N ATOM 0 H GLN B 628 -11.261 -14.140 -12.126 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.731 -14.637 -13.312 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -9.032 -12.392 -14.255 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -10.478 -13.365 -14.435 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -11.499 -12.222 -12.486 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -10.049 -11.258 -12.285 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -11.358 -12.165 -15.463 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -11.879 -10.542 -15.925 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.880 -12.562 -10.738 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.097 -11.896 -9.708 1.00 0.00 C ATOM 2445 C GLN B 629 -7.270 -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 -9.018 -11.118 -8.766 1.00 0.01 C ATOM 2448 CG GLN B 629 -9.855 -10.064 -9.474 1.00 0.49 C ATOM 2449 CD GLN B 629 -10.823 -9.361 -8.542 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -10.554 -9.206 -7.352 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -11.957 -8.930 -9.084 1.00 2.06 N ATOM 0 H GLN B 629 -9.889 -12.480 -10.613 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.416 -11.198 -10.194 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -9.682 -11.818 -8.259 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.415 -10.636 -7.996 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -9.194 -9.326 -9.928 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -10.413 -10.533 -10.284 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -12.138 -9.081 -10.076 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -12.647 -8.448 -8.508 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 -7.110 -15.132 -7.975 1.00 0.00 C ATOM 2462 C VAL B 630 -5.861 -15.524 -8.766 1.00 0.00 C ATOM 2463 O VAL B 630 -4.779 -14.976 -8.471 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.990 -16.380 -7.758 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -7.201 -17.480 -7.062 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -9.234 -16.020 -6.956 1.00 1.30 C ATOM 2467 OXT VAL B 630 -5.980 -16.373 -9.675 1.00 1.10 O ATOM 0 H VAL B 630 -8.806 -14.304 -8.914 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.816 -14.742 -7.001 1.00 0.00 H new ATOM 0 HB VAL B 630 -8.305 -16.753 -8.733 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -7.840 -18.351 -6.919 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -6.343 -17.756 -7.675 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -6.854 -17.121 -6.093 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -9.844 -16.911 -6.812 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -8.938 -15.621 -5.986 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -9.811 -15.269 -7.496 1.00 1.30 H new