USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=25 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= -2.37 X(o=-7.2,f=-7.3) USER MOD Set 1.2: B 626 GLN : amide:sc= -2.19 K(o=-7.2,f=-13!) USER MOD Set 1.3: B 629 GLN : amide:sc= -2.68 K(o=-7.2,f=-8.8!) USER MOD Set 2.1: B 616 ASN : amide:sc= -6.37! C(o=-7.7!,f=-17!) USER MOD Set 2.2: B 617 ASN : amide:sc= -1.3 K(o=-7.7,f=-8.8!) USER MOD Single : B 505 SER OG : rot -40:sc= 1.63 USER MOD Single : B 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 514 LYS NZ :NH3+ 166:sc= -0.0735 (180deg=-0.364) USER MOD Single : B 519 THR OG1 : rot 12:sc= 0.915 USER MOD Single : B 522 LYS NZ :NH3+ -136:sc= -0.137 (180deg=-0.685) USER MOD Single : B 528 CYS SG : rot 180:sc= 0 USER MOD Single : B 530 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 531 LYS NZ :NH3+ -165:sc= -0.0654 (180deg=-0.316) USER MOD Single : B 534 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 ASN : amide:sc= -1.38! K(o=-1.4!,f=0.77) USER MOD Single : B 537 LYS NZ :NH3+ 157:sc= -0.122 (180deg=-0.606) USER MOD Single : B 542 SER OG : rot -40:sc= 1.22 USER MOD Single : B 543 ASN : amide:sc= -0.924 K(o=-0.92,f=0) USER MOD Single : B 545 MET CE :methyl 149:sc= -0.494 (180deg=-2.1) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 550 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.23) USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-2.7!) USER MOD Single : B 560 LYS NZ :NH3+ 165:sc= -0.0271 (180deg=-0.287) USER MOD Single : B 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 564 THR OG1 : rot 4:sc= 0.283 USER MOD Single : B 567 ASN : amide:sc= 0.676 K(o=0.68,f=0) USER MOD Single : B 568 LYS NZ :NH3+ -169:sc= -0.0278 (180deg=-0.156) USER MOD Single : B 573 MET CE :methyl -152:sc= 0 (180deg=-0.219) USER MOD Single : B 574 HIS : no HD1:sc= -3.59! C(o=-3.6!,f=-7.5!) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 577 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-3.2!) USER MOD Single : B 583 MET CE :methyl -135:sc= -0.751 (180deg=-3.05!) USER MOD Single : B 585 CYS SG : rot 144:sc= 0.172 USER MOD Single : B 587 THR OG1 : rot -80:sc= -0.0881 USER MOD Single : B 590 LYS NZ :NH3+ 177:sc= -1.85! (180deg=-1.89!) USER MOD Single : B 593 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.072) USER MOD Single : B 594 LYS NZ :NH3+ -166:sc= -0.0437 (180deg=-0.305) USER MOD Single : B 595 CYS SG : rot 180:sc= 0 USER MOD Single : B 598 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.2) USER MOD Single : B 601 GLN : amide:sc= -0.725 K(o=-0.73,f=0) USER MOD Single : B 603 GLN : amide:sc= -3.42! C(o=-3.4!,f=-5.8!) USER MOD Single : B 608 MET CE :methyl -158:sc= -0.146 (180deg=-0.768) USER MOD Single : B 619 ASN : amide:sc= -0.549 K(o=-0.55,f=-2.4!) USER MOD Single : B 620 THR OG1 : rot -21:sc= 0.221 USER MOD Single : B 623 CYS SG : rot 180:sc= 0 USER MOD Single : B 628 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 382 N ILE B 504 6.402 10.439 -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 9.750 10.579 -12.300 1.00 0.00 O ATOM 386 CB ILE B 504 7.697 12.432 -13.106 1.00 0.03 C ATOM 387 CG1 ILE B 504 8.995 13.168 -13.421 1.00 1.30 C ATOM 388 CG2 ILE B 504 7.396 12.496 -11.613 1.00 1.33 C ATOM 389 CD1 ILE B 504 8.907 14.667 -13.232 1.00 2.13 C ATOM 0 HA ILE B 504 8.215 10.896 -14.575 1.00 0.00 H new ATOM 0 HB ILE B 504 6.888 12.927 -13.644 1.00 0.03 H new ATOM 0 HG12 ILE B 504 9.788 12.777 -12.784 1.00 1.30 H new ATOM 0 HG13 ILE B 504 9.281 12.957 -14.451 1.00 1.30 H new ATOM 0 HG21 ILE B 504 7.355 13.538 -11.294 1.00 1.33 H new ATOM 0 HG22 ILE B 504 6.437 12.018 -11.414 1.00 1.33 H new ATOM 0 HG23 ILE B 504 8.181 11.978 -11.061 1.00 1.33 H new ATOM 0 HD11 ILE B 504 9.868 15.121 -13.475 1.00 2.13 H new ATOM 0 HD12 ILE B 504 8.137 15.072 -13.889 1.00 2.13 H new ATOM 0 HD13 ILE B 504 8.652 14.889 -12.196 1.00 2.13 H new ATOM 403 N SER B 505 8.154 8.984 -12.247 1.00 0.00 N ATOM 404 CA SER B 505 8.935 8.046 -11.436 1.00 0.00 C ATOM 405 C SER B 505 10.341 7.806 -12.002 1.00 0.00 C ATOM 406 O SER B 505 10.503 7.337 -13.130 1.00 0.00 O ATOM 407 CB SER B 505 8.197 6.709 -11.329 1.00 0.00 C ATOM 408 OG SER B 505 6.908 6.880 -10.764 1.00 1.29 O ATOM 0 H SER B 505 7.215 8.657 -12.474 1.00 0.00 H new ATOM 0 HA SER B 505 9.049 8.497 -10.450 1.00 0.00 H new ATOM 0 HB2 SER B 505 8.107 6.260 -12.318 1.00 0.00 H new ATOM 0 HB3 SER B 505 8.777 6.018 -10.717 1.00 0.00 H new ATOM 0 HG SER B 505 6.956 7.528 -10.030 1.00 1.29 H new ATOM 414 N GLY B 506 11.358 8.140 -11.218 1.00 0.00 N ATOM 415 CA GLY B 506 12.729 7.974 -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 9.168 -12.766 1.00 0.00 O ATOM 0 H GLY B 506 11.258 8.524 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY B 506 13.345 7.697 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY B 506 12.771 7.144 -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 -12.176 1.00 0.00 O ATOM 425 CB ALA B 507 12.048 12.258 -13.781 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 13.936 11.270 -13.605 1.00 0.00 H new ATOM 0 HB1 ALA B 507 12.464 13.180 -14.188 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.728 11.612 -14.599 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.192 12.494 -13.149 1.00 0.02 H new ATOM 431 N MET B 508 13.446 12.127 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.016 12.841 -9.466 1.00 0.00 C ATOM 433 C MET B 508 15.055 12.004 -8.718 1.00 0.00 C ATOM 434 O MET B 508 15.077 10.781 -8.820 1.00 0.00 O ATOM 435 CB MET B 508 12.903 13.260 -8.502 1.00 0.01 C ATOM 436 CG MET B 508 11.942 14.281 -9.089 1.00 0.47 C ATOM 437 SD MET B 508 12.765 15.820 -9.545 1.00 1.65 S ATOM 438 CE MET B 508 11.382 16.785 -10.147 1.00 2.21 C ATOM 0 H MET B 508 12.868 11.328 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.523 13.723 -9.858 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.341 12.375 -8.202 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.352 13.673 -7.599 1.00 0.01 H new ATOM 0 HG2 MET B 508 11.459 13.857 -9.969 1.00 0.47 H new ATOM 0 HG3 MET B 508 11.156 14.494 -8.365 1.00 0.47 H new ATOM 0 HE1 MET B 508 11.734 17.766 -10.466 1.00 2.21 H new ATOM 0 HE2 MET B 508 10.921 16.273 -10.991 1.00 2.21 H new ATOM 0 HE3 MET B 508 10.648 16.905 -9.350 1.00 2.21 H new ATOM 448 N HIS B 509 15.906 12.683 -7.950 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 15.268 11.946 -5.318 1.00 0.00 O ATOM 452 CB HIS B 509 17.902 13.053 -6.546 1.00 0.00 C ATOM 453 CG HIS B 509 18.737 13.682 -7.617 1.00 1.05 C ATOM 454 ND1 HIS B 509 18.463 14.921 -8.157 1.00 2.01 N ATOM 455 CD2 HIS B 509 19.847 13.235 -8.252 1.00 1.87 C ATOM 456 CE1 HIS B 509 19.367 15.209 -9.076 1.00 2.67 C ATOM 457 NE2 HIS B 509 20.219 14.203 -9.153 1.00 2.55 N ATOM 0 H HIS B 509 15.933 13.702 -7.912 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 17.367 13.835 -6.007 1.00 0.00 H new ATOM 0 HB3 HIS B 509 18.557 12.562 -5.827 1.00 0.00 H new ATOM 0 HD2 HIS B 509 20.347 12.293 -8.082 1.00 1.87 H new ATOM 0 HE1 HIS B 509 19.403 16.114 -9.665 1.00 2.67 H new ATOM 0 HE2 HIS B 509 21.022 14.153 -9.779 1.00 2.55 H new ATOM 466 N GLU B 510 16.541 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 -2.816 1.00 0.00 O ATOM 470 CB GLU B 510 16.706 8.093 -4.240 1.00 0.01 C ATOM 471 CG GLU B 510 15.998 7.091 -3.344 1.00 1.38 C ATOM 472 CD GLU B 510 16.851 5.874 -3.046 1.00 2.04 C ATOM 473 OE1 GLU B 510 17.630 5.920 -2.071 1.00 2.66 O ATOM 474 OE2 GLU B 510 16.739 4.876 -3.788 1.00 2.52 O ATOM 0 H GLU B 510 17.340 9.639 -6.053 1.00 0.00 H new ATOM 0 HA GLU B 510 14.915 8.946 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU B 510 17.045 7.584 -5.143 1.00 0.01 H new ATOM 0 HB3 GLU B 510 17.596 8.460 -3.728 1.00 0.01 H new ATOM 0 HG2 GLU B 510 15.724 7.576 -2.407 1.00 1.38 H new ATOM 0 HG3 GLU B 510 15.071 6.773 -3.822 1.00 1.38 H new ATOM 481 N GLU B 511 16.275 10.994 -2.988 1.00 0.00 N ATOM 482 CA GLU B 511 16.077 11.778 -1.770 1.00 0.00 C ATOM 483 C GLU B 511 14.973 12.819 -1.930 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 17.385 12.467 -1.376 1.00 0.01 C ATOM 486 CG GLU B 511 18.518 11.499 -1.073 1.00 1.31 C ATOM 487 CD GLU B 511 19.844 12.202 -0.849 1.00 1.88 C ATOM 488 OE1 GLU B 511 20.112 12.614 0.300 1.00 2.41 O ATOM 489 OE2 GLU B 511 20.613 12.342 -1.823 1.00 2.44 O ATOM 0 H GLU B 511 17.124 11.234 -3.499 1.00 0.00 H new ATOM 0 HA GLU B 511 15.769 11.089 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU B 511 17.693 13.132 -2.183 1.00 0.01 H new ATOM 0 HB3 GLU B 511 17.207 13.091 -0.500 1.00 0.01 H new ATOM 0 HG2 GLU B 511 18.266 10.917 -0.187 1.00 1.31 H new ATOM 0 HG3 GLU B 511 18.620 10.795 -1.899 1.00 1.31 H new ATOM 496 N ASP B 512 14.948 13.487 -3.079 1.00 0.00 N ATOM 497 CA ASP B 512 13.830 14.365 -3.417 1.00 0.00 C ATOM 498 C ASP B 512 12.545 13.569 -3.576 1.00 0.00 C ATOM 499 O ASP B 512 11.476 13.995 -3.147 1.00 0.00 O ATOM 500 CB ASP B 512 14.131 15.138 -4.701 1.00 0.00 C ATOM 501 CG ASP B 512 13.012 16.089 -5.078 1.00 1.11 C ATOM 502 OD1 ASP B 512 13.010 17.232 -4.575 1.00 1.03 O ATOM 503 OD2 ASP B 512 12.137 15.690 -5.875 1.00 2.08 O ATOM 0 H ASP B 512 15.681 13.439 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 512 13.696 15.074 -2.600 1.00 0.00 H new ATOM 0 HB2 ASP B 512 15.056 15.701 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP B 512 14.296 14.433 -5.516 1.00 0.00 H new ATOM 508 N GLU B 513 12.672 12.404 -4.197 1.00 0.00 N ATOM 509 CA GLU B 513 11.566 11.495 -4.387 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.180 -3.058 1.00 0.00 C ATOM 511 O GLU B 513 9.657 11.244 -2.951 1.00 0.00 O ATOM 512 CB GLU B 513 12.044 10.200 -5.046 1.00 0.01 C ATOM 513 CG GLU B 513 10.936 9.180 -5.249 1.00 1.13 C ATOM 514 CD GLU B 513 11.434 7.904 -5.896 1.00 1.38 C ATOM 515 OE1 GLU B 513 12.168 7.145 -5.227 1.00 1.92 O ATOM 516 OE2 GLU B 513 11.091 7.664 -7.072 1.00 1.88 O ATOM 0 H GLU B 513 13.554 12.067 -4.583 1.00 0.00 H new ATOM 0 HA GLU B 513 10.843 11.982 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.491 10.436 -6.012 1.00 0.01 H new ATOM 0 HB3 GLU B 513 12.828 9.756 -4.432 1.00 0.01 H new ATOM 0 HG2 GLU B 513 10.484 8.943 -4.286 1.00 1.13 H new ATOM 0 HG3 GLU B 513 10.154 9.617 -5.869 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 11.134 10.513 -0.729 1.00 0.00 C ATOM 525 C LYS B 514 10.272 11.633 -0.178 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.407 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.283 10.219 0.239 1.00 0.03 C ATOM 528 CG LYS B 514 11.830 9.955 1.666 1.00 1.17 C ATOM 529 CD LYS B 514 13.012 9.741 2.601 1.00 1.23 C ATOM 530 CE LYS B 514 13.878 10.988 2.709 1.00 2.02 C ATOM 531 NZ LYS B 514 13.099 12.169 3.176 1.00 2.73 N ATOM 0 H LYS B 514 12.680 10.767 -2.123 1.00 0.00 H new ATOM 0 HA LYS B 514 10.504 9.629 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS B 514 12.838 9.353 -0.122 1.00 0.03 H new ATOM 0 HB3 LYS B 514 12.973 11.063 0.237 1.00 0.03 H new ATOM 0 HG2 LYS B 514 11.233 10.796 2.020 1.00 1.17 H new ATOM 0 HG3 LYS B 514 11.186 9.076 1.687 1.00 1.17 H new ATOM 0 HD2 LYS B 514 12.648 9.464 3.590 1.00 1.23 H new ATOM 0 HD3 LYS B 514 13.616 8.909 2.239 1.00 1.23 H new ATOM 0 HE2 LYS B 514 14.700 10.800 3.399 1.00 2.02 H new ATOM 0 HE3 LYS B 514 14.321 11.207 1.738 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 13.753 12.925 3.462 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 12.491 12.511 2.405 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 12.509 11.897 3.988 1.00 2.73 H new ATOM 545 N ARG B 515 10.865 12.826 -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 14.318 -0.250 1.00 0.00 C ATOM 548 O ARG B 515 7.936 14.767 0.327 1.00 0.00 O ATOM 549 CB ARG B 515 11.134 15.220 0.451 1.00 0.02 C ATOM 550 CG ARG B 515 10.541 16.475 1.072 1.00 1.32 C ATOM 551 CD ARG B 515 11.550 17.610 1.109 1.00 1.65 C ATOM 552 NE ARG B 515 12.734 17.266 1.892 1.00 2.20 N ATOM 553 CZ ARG B 515 13.709 18.125 2.174 1.00 2.85 C ATOM 554 NH1 ARG B 515 13.640 19.381 1.750 1.00 3.02 N ATOM 555 NH2 ARG B 515 14.757 17.730 2.885 1.00 3.75 N ATOM 0 H ARG B 515 11.824 13.001 -0.371 1.00 0.00 H new ATOM 0 HA ARG B 515 9.940 13.794 1.529 1.00 0.00 H new ATOM 0 HB2 ARG B 515 12.058 14.969 0.972 1.00 0.02 H new ATOM 0 HB3 ARG B 515 11.399 15.428 -0.586 1.00 0.02 H new ATOM 0 HG2 ARG B 515 9.665 16.785 0.502 1.00 1.32 H new ATOM 0 HG3 ARG B 515 10.202 16.256 2.084 1.00 1.32 H new ATOM 0 HD2 ARG B 515 11.849 17.862 0.092 1.00 1.65 H new ATOM 0 HD3 ARG B 515 11.081 18.498 1.533 1.00 1.65 H new ATOM 0 HE ARG B 515 12.818 16.312 2.243 1.00 2.20 H new ATOM 0 HH11 ARG B 515 12.836 19.692 1.205 1.00 3.02 H new ATOM 0 HH12 ARG B 515 14.391 20.035 1.969 1.00 3.02 H new ATOM 0 HH21 ARG B 515 14.815 16.767 3.216 1.00 3.75 H new ATOM 0 HH22 ARG B 515 15.505 18.389 3.101 1.00 3.75 H new ATOM 569 N PHE B 516 8.960 14.084 -1.550 1.00 0.00 N ATOM 570 CA PHE B 516 7.870 14.458 -2.417 1.00 0.00 C ATOM 571 C PHE B 516 6.701 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 8.339 14.492 -3.872 1.00 0.01 C ATOM 574 CG PHE B 516 7.291 14.972 -4.837 1.00 0.66 C ATOM 575 CD1 PHE B 516 7.084 16.328 -5.037 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.512 14.068 -5.542 1.00 1.15 C ATOM 577 CE1 PHE B 516 6.119 16.773 -5.920 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.547 14.507 -6.427 1.00 1.70 C ATOM 579 CZ PHE B 516 5.356 15.862 -6.623 1.00 1.89 C ATOM 0 H PHE B 516 9.742 13.634 -2.025 1.00 0.00 H new ATOM 0 HA PHE B 516 7.529 15.454 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.212 15.140 -3.947 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.658 13.492 -4.165 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.684 17.045 -4.496 1.00 1.12 H new ATOM 0 HD2 PHE B 516 6.661 13.008 -5.398 1.00 1.15 H new ATOM 0 HE1 PHE B 516 5.962 17.832 -6.060 1.00 1.67 H new ATOM 0 HE2 PHE B 516 4.942 13.792 -6.965 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.611 16.207 -7.325 1.00 1.89 H new ATOM 589 N LEU B 517 7.024 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 5.449 11.159 -0.668 1.00 0.00 C ATOM 592 O LEU B 517 4.298 10.791 -0.495 1.00 0.00 O ATOM 593 CB LEU B 517 6.685 9.781 -2.320 1.00 0.02 C ATOM 594 CG LEU B 517 6.692 9.314 -3.778 1.00 1.00 C ATOM 595 CD1 LEU B 517 7.288 10.371 -4.697 1.00 1.77 C ATOM 596 CD2 LEU B 517 7.464 8.011 -3.897 1.00 1.90 C ATOM 0 H LEU B 517 7.976 11.849 -2.389 1.00 0.00 H new ATOM 0 HA LEU B 517 5.236 11.329 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU B 517 7.714 9.810 -1.963 1.00 0.02 H new ATOM 0 HB3 LEU B 517 6.161 9.035 -1.722 1.00 0.02 H new ATOM 0 HG LEU B 517 5.660 9.151 -4.089 1.00 1.00 H new ATOM 0 HD11 LEU B 517 7.278 10.007 -5.724 1.00 1.77 H new ATOM 0 HD12 LEU B 517 6.699 11.286 -4.630 1.00 1.77 H new ATOM 0 HD13 LEU B 517 8.315 10.578 -4.396 1.00 1.77 H new ATOM 0 HD21 LEU B 517 7.466 7.683 -4.936 1.00 1.90 H new ATOM 0 HD22 LEU B 517 8.490 8.164 -3.563 1.00 1.90 H new ATOM 0 HD23 LEU B 517 6.990 7.250 -3.277 1.00 1.90 H new ATOM 608 N VAL B 518 6.218 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 4.589 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 6.699 11.839 2.777 1.00 0.03 C ATOM 613 CG1 VAL B 518 7.662 10.665 2.848 1.00 1.40 C ATOM 614 CG2 VAL B 518 7.453 13.136 2.554 1.00 1.40 C ATOM 0 H VAL B 518 7.194 11.845 0.261 1.00 0.00 H new ATOM 0 HA VAL B 518 5.202 10.632 1.873 1.00 0.00 H new ATOM 0 HB VAL B 518 6.175 11.918 3.730 1.00 0.03 H new ATOM 0 HG11 VAL B 518 8.398 10.845 3.632 1.00 1.40 H new ATOM 0 HG12 VAL B 518 7.108 9.753 3.073 1.00 1.40 H new ATOM 0 HG13 VAL B 518 8.171 10.554 1.891 1.00 1.40 H new ATOM 0 HG21 VAL B 518 8.187 13.271 3.348 1.00 1.40 H new ATOM 0 HG22 VAL B 518 7.962 13.100 1.591 1.00 1.40 H new ATOM 0 HG23 VAL B 518 6.752 13.971 2.563 1.00 1.40 H new ATOM 624 N THR B 519 4.830 13.783 0.991 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 2.639 14.551 0.081 1.00 0.00 C ATOM 627 O THR B 519 1.527 14.985 0.377 1.00 0.00 O ATOM 628 CB THR B 519 4.537 16.178 0.373 1.00 0.02 C ATOM 629 OG1 THR B 519 5.272 15.898 -0.820 1.00 1.10 O ATOM 630 CG2 THR B 519 5.462 16.799 1.410 1.00 1.18 C ATOM 0 H THR B 519 5.676 13.918 0.437 1.00 0.00 H new ATOM 0 HA THR B 519 3.565 15.072 1.948 1.00 0.00 H new ATOM 0 HB THR B 519 3.741 16.886 0.143 1.00 0.02 H new ATOM 0 HG1 THR B 519 5.045 15.000 -1.141 1.00 1.10 H new ATOM 0 HG21 THR B 519 5.912 17.704 1.001 1.00 1.18 H new ATOM 0 HG22 THR B 519 4.890 17.050 2.304 1.00 1.18 H new ATOM 0 HG23 THR B 519 6.247 16.089 1.669 1.00 1.18 H new ATOM 638 N VAL B 520 2.837 13.785 -0.984 1.00 0.00 N ATOM 639 CA VAL B 520 1.760 13.500 -1.911 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 2.295 12.895 -3.227 1.00 0.03 C ATOM 643 CG1 VAL B 520 1.157 12.357 -4.084 1.00 1.21 C ATOM 644 CG2 VAL B 520 3.098 13.930 -4.000 1.00 1.22 C ATOM 0 H VAL B 520 3.730 13.354 -1.223 1.00 0.00 H new ATOM 0 HA VAL B 520 1.277 14.453 -2.130 1.00 0.00 H new ATOM 0 HB VAL B 520 2.951 12.062 -2.974 1.00 0.03 H new ATOM 0 HG11 VAL B 520 1.562 11.937 -5.005 1.00 1.21 H new ATOM 0 HG12 VAL B 520 0.623 11.581 -3.535 1.00 1.21 H new ATOM 0 HG13 VAL B 520 0.470 13.167 -4.327 1.00 1.21 H new ATOM 0 HG21 VAL B 520 3.468 13.487 -4.925 1.00 1.22 H new ATOM 0 HG22 VAL B 520 2.461 14.783 -4.235 1.00 1.22 H new ATOM 0 HG23 VAL B 520 3.941 14.263 -3.395 1.00 1.22 H new ATOM 654 N ILE B 521 1.209 11.535 -0.601 1.00 0.00 N ATOM 655 CA ILE B 521 0.331 10.516 -0.062 1.00 0.00 C ATOM 656 C ILE B 521 -0.191 10.779 1.352 1.00 0.00 C ATOM 657 O ILE B 521 -1.277 10.309 1.712 1.00 0.00 O ATOM 658 CB ILE B 521 1.018 9.135 -0.081 1.00 0.02 C ATOM 659 CG1 ILE B 521 2.221 9.114 0.867 1.00 1.41 C ATOM 660 CG2 ILE B 521 1.448 8.781 -1.496 1.00 1.40 C ATOM 661 CD1 ILE B 521 1.906 8.552 2.239 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.394 -0.396 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.536 10.541 -0.722 1.00 0.00 H new ATOM 0 HB ILE B 521 0.302 8.389 0.263 1.00 0.02 H new ATOM 0 HG12 ILE B 521 3.018 8.522 0.416 1.00 1.41 H new ATOM 0 HG13 ILE B 521 2.602 10.129 0.979 1.00 1.41 H new ATOM 0 HG21 ILE B 521 1.932 7.804 -1.496 1.00 1.40 H new ATOM 0 HG22 ILE B 521 0.573 8.753 -2.146 1.00 1.40 H new ATOM 0 HG23 ILE B 521 2.148 9.532 -1.862 1.00 1.40 H new ATOM 0 HD11 ILE B 521 2.805 8.569 2.854 1.00 1.98 H new ATOM 0 HD12 ILE B 521 1.132 9.157 2.711 1.00 1.98 H new ATOM 0 HD13 ILE B 521 1.554 7.525 2.140 1.00 1.98 H new ATOM 673 N LYS B 522 0.554 11.555 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 1.159 12.810 4.177 1.00 0.01 C ATOM 678 CG LYS B 522 0.814 13.135 5.623 1.00 1.10 C ATOM 679 CD LYS B 522 0.075 14.459 5.741 1.00 1.37 C ATOM 680 CE LYS B 522 1.008 15.636 5.513 1.00 2.02 C ATOM 681 NZ LYS B 522 2.134 15.647 6.486 1.00 2.57 N ATOM 0 H LYS B 522 1.482 11.897 1.891 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.122 11.113 4.077 1.00 0.00 H new ATOM 0 HB2 LYS B 522 2.101 12.263 4.151 1.00 0.01 H new ATOM 0 HB3 LYS B 522 1.316 13.741 3.632 1.00 0.01 H new ATOM 0 HG2 LYS B 522 0.199 12.337 6.039 1.00 1.10 H new ATOM 0 HG3 LYS B 522 1.728 13.174 6.215 1.00 1.10 H new ATOM 0 HD2 LYS B 522 -0.737 14.490 5.015 1.00 1.37 H new ATOM 0 HD3 LYS B 522 -0.378 14.538 6.729 1.00 1.37 H new ATOM 0 HE2 LYS B 522 1.405 15.594 4.499 1.00 2.02 H new ATOM 0 HE3 LYS B 522 0.446 16.566 5.597 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 2.277 16.614 6.841 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 1.911 15.016 7.282 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 3.002 15.319 6.016 1.00 2.57 H new ATOM 695 N ASP B 523 -1.243 13.555 2.198 1.00 0.00 N ATOM 696 CA ASP B 523 -2.403 14.405 1.966 1.00 0.00 C ATOM 697 C ASP B 523 -3.521 13.764 1.120 1.00 0.00 C ATOM 698 O ASP B 523 -4.666 14.192 1.202 1.00 0.00 O ATOM 699 CB ASP B 523 -1.957 15.709 1.304 1.00 0.01 C ATOM 700 CG ASP B 523 -3.111 16.667 1.073 1.00 1.28 C ATOM 701 OD1 ASP B 523 -3.402 17.475 1.978 1.00 1.70 O ATOM 702 OD2 ASP B 523 -3.724 16.606 -0.014 1.00 2.17 O ATOM 0 H ASP B 523 -0.520 13.599 1.480 1.00 0.00 H new ATOM 0 HA ASP B 523 -2.837 14.580 2.950 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.207 16.193 1.930 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -1.479 15.484 0.350 1.00 0.01 H new ATOM 707 N LEU B 524 -3.191 12.737 0.329 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 0.726 1.00 0.00 C ATOM 710 O LEU B 524 -6.147 11.004 0.748 1.00 0.00 O ATOM 711 CB LEU B 524 -3.593 11.016 -1.393 1.00 0.04 C ATOM 712 CG LEU B 524 -3.262 11.709 -2.716 1.00 0.63 C ATOM 713 CD1 LEU B 524 -2.473 10.775 -3.622 1.00 1.48 C ATOM 714 CD2 LEU B 524 -4.537 12.170 -3.408 1.00 1.36 C ATOM 0 H LEU B 524 -2.231 12.456 0.127 1.00 0.00 H new ATOM 0 HA LEU B 524 -4.938 12.571 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.678 10.582 -0.990 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -4.275 10.190 -1.595 1.00 0.04 H new ATOM 0 HG LEU B 524 -2.648 12.584 -2.504 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -2.246 11.283 -4.559 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -1.544 10.489 -3.129 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -3.064 9.882 -3.828 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -4.284 12.661 -4.348 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -5.174 11.309 -3.609 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -5.068 12.871 -2.764 1.00 1.36 H new ATOM 726 N LEU B 525 -4.164 10.452 1.614 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 3.565 1.00 0.00 C ATOM 729 O LEU B 525 -6.736 10.377 3.995 1.00 0.00 O ATOM 730 CB LEU B 525 -3.575 9.300 3.681 1.00 0.02 C ATOM 731 CG LEU B 525 -3.077 7.879 3.382 1.00 1.09 C ATOM 732 CD1 LEU B 525 -2.778 7.698 1.900 1.00 1.76 C ATOM 733 CD2 LEU B 525 -1.839 7.576 4.206 1.00 1.95 C ATOM 0 H LEU B 525 -3.148 10.393 1.539 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.306 8.950 2.456 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -2.734 9.987 3.593 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -3.911 9.338 4.717 1.00 0.02 H new ATOM 0 HG LEU B 525 -3.868 7.180 3.653 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -2.427 6.682 1.721 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -3.684 7.876 1.322 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -2.008 8.406 1.595 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -1.494 6.566 3.986 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -1.053 8.290 3.958 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -2.079 7.655 5.266 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 13.326 3.768 1.00 0.00 C ATOM 748 O GLY B 526 -8.279 13.479 4.377 1.00 0.00 O ATOM 0 H GLY B 526 -4.274 12.331 3.407 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.186 12.552 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.339 13.853 4.673 1.00 0.00 H new ATOM 752 N LEU B 527 -7.095 13.477 2.452 1.00 0.00 N ATOM 753 CA LEU B 527 -8.249 13.740 1.597 1.00 0.00 C ATOM 754 C LEU B 527 -9.243 12.570 1.619 1.00 0.00 C ATOM 755 O LEU B 527 -10.462 12.768 1.561 1.00 0.00 O ATOM 756 CB LEU B 527 -7.801 13.996 0.155 1.00 0.01 C ATOM 757 CG LEU B 527 -7.194 15.375 -0.112 1.00 0.98 C ATOM 758 CD1 LEU B 527 -6.670 15.455 -1.538 1.00 1.57 C ATOM 759 CD2 LEU B 527 -8.221 16.470 0.137 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 -8.747 14.627 1.988 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -7.069 13.237 -0.120 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -8.660 13.863 -0.503 1.00 0.01 H new ATOM 0 HG LEU B 527 -6.361 15.523 0.575 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -6.241 16.442 -1.713 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -5.904 14.695 -1.687 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -7.489 15.286 -2.237 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -7.770 17.443 -0.058 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -9.074 16.326 -0.526 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -8.555 16.426 1.174 1.00 1.67 H new ATOM 771 N CYS B 528 -8.712 11.353 1.697 1.00 0.00 N ATOM 772 CA CYS B 528 -9.542 10.170 1.623 1.00 0.00 C ATOM 773 C CYS B 528 -10.504 10.116 2.797 1.00 0.00 C ATOM 774 O CYS B 528 -11.700 9.880 2.624 1.00 0.00 O ATOM 775 CB CYS B 528 -8.670 8.914 1.625 1.00 0.04 C ATOM 776 SG CYS B 528 -9.583 7.377 1.358 1.00 0.59 S ATOM 0 H CYS B 528 -7.715 11.168 1.811 1.00 0.00 H new ATOM 0 HA CYS B 528 -10.115 10.214 0.697 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -7.910 9.012 0.849 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.146 8.851 2.579 1.00 0.04 H new ATOM 0 HG CYS B 528 -8.757 6.373 1.375 1.00 0.59 H new ATOM 782 N GLU B 529 -9.963 10.339 3.988 1.00 0.00 N ATOM 783 CA GLU B 529 -10.766 10.452 5.195 1.00 0.00 C ATOM 784 C GLU B 529 -11.754 11.634 5.139 1.00 0.00 C ATOM 785 O GLU B 529 -12.833 11.585 5.741 1.00 0.00 O ATOM 786 CB GLU B 529 -9.881 10.554 6.442 1.00 0.02 C ATOM 787 CG GLU B 529 -8.992 11.782 6.477 1.00 1.29 C ATOM 788 CD GLU B 529 -8.167 11.869 7.748 1.00 1.85 C ATOM 789 OE1 GLU B 529 -8.716 12.296 8.785 1.00 2.25 O ATOM 790 OE2 GLU B 529 -6.972 11.509 7.705 1.00 2.50 O ATOM 0 H GLU B 529 -8.960 10.446 4.142 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.357 9.538 5.259 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -10.518 10.556 7.326 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -9.254 9.664 6.502 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -8.325 11.768 5.615 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -9.609 12.676 6.387 1.00 1.29 H new ATOM 797 N GLN B 530 -11.384 12.683 4.409 1.00 0.00 N ATOM 798 CA GLN B 530 -12.202 13.892 4.306 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 -11.369 15.028 3.710 1.00 0.01 C ATOM 802 CG GLN B 530 -12.071 16.376 3.725 1.00 0.99 C ATOM 803 CD GLN B 530 -11.243 17.470 3.079 1.00 1.50 C ATOM 804 OE1 GLN B 530 -11.347 17.716 1.878 1.00 2.15 O ATOM 805 NE2 GLN B 530 -10.410 18.129 3.877 1.00 2.24 N ATOM 0 H GLN B 530 -10.516 12.721 3.875 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.524 14.139 5.318 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.434 15.110 4.264 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -11.110 14.775 2.682 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -13.025 16.291 3.204 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -12.294 16.654 4.755 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -10.357 17.891 4.867 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -9.823 18.873 3.499 1.00 2.24 H new ATOM 814 N LYS B 531 -13.290 13.226 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.045 1.332 1.00 0.00 C ATOM 816 C LYS B 531 -15.316 11.917 1.795 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 -13.889 12.763 -0.082 1.00 0.03 C ATOM 819 CG LYS B 531 -13.069 13.900 -0.672 1.00 0.77 C ATOM 820 CD LYS B 531 -12.670 13.614 -2.112 1.00 1.35 C ATOM 821 CE LYS B 531 -11.883 14.767 -2.716 1.00 1.81 C ATOM 822 NZ LYS B 531 -12.648 16.045 -2.685 1.00 2.28 N ATOM 0 H LYS B 531 -12.382 12.962 1.865 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.981 13.968 1.320 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -13.281 11.859 -0.065 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -14.739 12.563 -0.734 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -13.645 14.825 -0.630 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -12.174 14.055 -0.070 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -12.070 12.705 -2.150 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -13.564 13.432 -2.708 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -10.948 14.892 -2.171 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -11.622 14.526 -3.746 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -12.198 16.735 -3.320 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -13.625 15.873 -2.998 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -12.656 16.421 -1.715 1.00 2.28 H new ATOM 836 N ARG B 532 -16.622 12.149 1.689 1.00 0.00 N ATOM 837 CA ARG B 532 -17.590 11.144 2.064 1.00 0.00 C ATOM 838 C ARG B 532 -18.046 10.366 0.834 1.00 0.00 C ATOM 839 O ARG B 532 -17.883 10.829 -0.304 1.00 0.00 O ATOM 840 CB ARG B 532 -18.795 11.804 2.740 1.00 0.01 C ATOM 841 CG ARG B 532 -19.480 12.844 1.866 1.00 1.32 C ATOM 842 CD ARG B 532 -20.592 13.562 2.613 1.00 1.86 C ATOM 843 NE ARG B 532 -21.222 14.590 1.789 1.00 2.54 N ATOM 844 CZ ARG B 532 -22.113 15.464 2.249 1.00 3.32 C ATOM 845 NH1 ARG B 532 -22.479 15.436 3.523 1.00 3.60 N ATOM 846 NH2 ARG B 532 -22.639 16.369 1.432 1.00 4.21 N ATOM 0 H ARG B 532 -17.024 13.022 1.348 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.123 10.452 2.765 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -19.518 11.034 3.011 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -18.469 12.276 3.667 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -18.745 13.571 1.521 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -19.890 12.361 0.979 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -21.343 12.839 2.929 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -20.188 14.018 3.517 1.00 1.86 H new ATOM 0 HE ARG B 532 -20.964 14.641 0.804 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -22.077 14.743 4.154 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -23.162 16.108 3.872 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -22.360 16.394 0.451 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -23.322 17.039 1.785 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 -18.046 7.431 -0.600 1.00 0.00 C ATOM 863 O GLY B 533 -17.035 7.883 -1.131 1.00 0.00 O ATOM 0 H GLY B 533 -18.738 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 -19.488 8.994 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.311 6.128 -0.518 1.00 0.00 N ATOM 868 CA LYS B 534 -17.433 5.113 -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 -18.119 3.744 -1.049 1.00 0.02 C ATOM 872 CG LYS B 534 -19.306 3.615 -1.995 1.00 1.17 C ATOM 873 CD LYS B 534 -20.535 4.340 -1.467 1.00 1.67 C ATOM 874 CE LYS B 534 -21.689 4.269 -2.455 1.00 2.37 C ATOM 875 NZ LYS B 534 -22.917 4.922 -1.925 1.00 2.95 N ATOM 0 H LYS B 534 -19.137 5.749 -0.055 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.531 5.102 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -17.387 2.975 -1.295 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -18.456 3.548 -0.031 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -19.038 4.019 -2.971 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -19.541 2.561 -2.140 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -20.839 3.899 -0.518 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -20.287 5.383 -1.269 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -21.397 4.749 -3.389 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -21.904 3.226 -2.687 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -23.679 4.851 -2.629 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -23.211 4.448 -1.047 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -22.720 5.924 -1.728 1.00 2.95 H new ATOM 889 N ASP B 535 -17.881 6.012 -3.333 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 7.299 -4.618 1.00 0.00 C ATOM 892 O ASP B 535 -15.264 7.030 -5.340 1.00 0.00 O ATOM 893 CB ASP B 535 -18.626 7.244 -5.319 1.00 0.01 C ATOM 894 CG ASP B 535 -18.256 7.762 -6.695 1.00 1.35 C ATOM 895 OD1 ASP B 535 -18.444 7.018 -7.680 1.00 1.82 O ATOM 896 OD2 ASP B 535 -17.778 8.911 -6.787 1.00 2.20 O ATOM 0 H ASP B 535 -18.855 6.190 -3.087 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.293 5.560 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -19.511 6.613 -5.398 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -18.889 8.084 -4.677 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 -15.038 9.192 -3.599 1.00 0.00 C ATOM 903 C ASN B 536 -13.855 8.463 -2.993 1.00 0.00 C ATOM 904 O ASN B 536 -12.712 8.628 -3.432 1.00 0.00 O ATOM 905 CB ASN B 536 -15.398 10.403 -2.734 1.00 0.07 C ATOM 906 CG ASN B 536 -16.383 11.333 -3.418 1.00 0.63 C ATOM 907 OD1 ASN B 536 -17.202 11.978 -2.762 1.00 1.38 O ATOM 908 ND2 ASN B 536 -16.305 11.412 -4.742 1.00 1.47 N ATOM 0 H ASN B 536 -17.006 8.581 -3.185 1.00 0.00 H new ATOM 0 HA ASN B 536 -14.740 9.521 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -15.823 10.059 -1.791 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -14.490 10.955 -2.492 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -16.939 12.025 -5.255 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -15.611 10.860 -5.246 1.00 1.47 H new ATOM 915 N LYS B 537 -14.119 7.680 -1.955 1.00 0.00 N ATOM 916 CA LYS B 537 -13.035 7.021 -1.233 1.00 0.00 C ATOM 917 C LYS B 537 -12.375 5.966 -2.114 1.00 0.00 C ATOM 918 O LYS B 537 -11.168 5.733 -2.026 1.00 0.00 O ATOM 919 CB LYS B 537 -13.546 6.375 0.056 1.00 0.03 C ATOM 920 CG LYS B 537 -13.671 7.346 1.221 1.00 0.81 C ATOM 921 CD LYS B 537 -15.075 7.915 1.326 1.00 1.12 C ATOM 922 CE LYS B 537 -16.054 6.882 1.857 1.00 1.82 C ATOM 923 NZ LYS B 537 -15.672 6.402 3.214 1.00 2.50 N ATOM 0 H LYS B 537 -15.055 7.487 -1.598 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.298 7.780 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.520 5.924 -0.136 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.871 5.567 0.339 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -13.414 6.836 2.150 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -12.956 8.160 1.096 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -15.069 8.784 1.984 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -15.404 8.260 0.346 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -17.054 7.314 1.893 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -16.097 6.036 1.171 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -16.512 6.025 3.698 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -14.956 5.653 3.128 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -15.281 7.193 3.765 1.00 2.50 H new ATOM 937 N ALA B 538 -13.175 5.358 -2.988 1.00 0.00 N ATOM 938 CA ALA B 538 -12.693 4.350 -3.921 1.00 0.00 C ATOM 939 C ALA B 538 -11.768 4.968 -4.968 1.00 0.00 C ATOM 940 O ALA B 538 -10.697 4.443 -5.242 1.00 0.00 O ATOM 941 CB ALA B 538 -13.863 3.647 -4.596 1.00 0.04 C ATOM 0 H ALA B 538 -14.173 5.552 -3.067 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.121 3.614 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.485 2.897 -5.290 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.482 3.163 -3.840 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.461 4.377 -5.141 1.00 0.04 H new ATOM 947 N ILE B 539 -12.189 6.086 -5.547 1.00 0.00 N ATOM 948 CA ILE B 539 -11.335 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 -8.926 6.984 -6.229 1.00 0.00 O ATOM 951 CB ILE B 539 -12.057 8.093 -6.995 1.00 0.05 C ATOM 952 CG1 ILE B 539 -13.326 7.685 -7.749 1.00 1.15 C ATOM 953 CG2 ILE B 539 -11.132 8.895 -7.899 1.00 1.12 C ATOM 954 CD1 ILE B 539 -14.191 8.856 -8.165 1.00 1.82 C ATOM 0 H ILE B 539 -13.116 6.488 -5.405 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.097 6.181 -7.286 1.00 0.00 H new ATOM 0 HB ILE B 539 -12.340 8.724 -6.152 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -13.044 7.120 -8.637 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -13.913 7.017 -7.119 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -11.659 9.773 -8.272 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -10.255 9.211 -7.334 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -10.819 8.276 -8.740 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -15.071 8.489 -8.693 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -14.504 9.410 -7.280 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -13.622 9.514 -8.822 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 -8.960 8.425 -3.927 1.00 0.00 C ATOM 968 C ILE B 540 -8.036 7.255 -3.593 1.00 0.00 C ATOM 969 O ILE B 540 -6.836 7.308 -3.846 1.00 0.00 O ATOM 970 CB ILE B 540 -9.316 9.206 -2.642 1.00 0.06 C ATOM 971 CG1 ILE B 540 -9.628 10.669 -2.976 1.00 1.12 C ATOM 972 CG2 ILE B 540 -8.174 9.136 -1.641 1.00 1.11 C ATOM 973 CD1 ILE B 540 -10.848 10.860 -3.851 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.198 -4.193 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.441 9.112 -4.596 1.00 0.00 H new ATOM 0 HB ILE B 540 -10.200 8.748 -2.198 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -9.772 11.219 -2.046 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -8.764 11.108 -3.476 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -8.443 9.692 -0.743 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -7.982 8.095 -1.380 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -7.277 9.571 -2.082 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -10.998 11.923 -4.039 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -10.701 10.341 -4.798 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -11.725 10.454 -3.347 1.00 1.85 H new ATOM 985 N ALA B 541 -8.616 6.198 -3.038 1.00 0.00 N ATOM 986 CA ALA B 541 -7.883 4.991 -2.670 1.00 0.00 C ATOM 987 C ALA B 541 -7.139 4.344 -3.846 1.00 0.00 C ATOM 988 O ALA B 541 -5.986 3.915 -3.706 1.00 0.00 O ATOM 989 CB ALA B 541 -8.823 3.981 -2.030 1.00 0.02 C ATOM 0 H ALA B 541 -9.613 6.153 -2.829 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.122 5.301 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.265 3.085 -1.760 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.268 4.415 -1.135 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.611 3.719 -2.736 1.00 0.02 H new ATOM 995 N SER B 542 -7.807 4.247 -4.992 1.00 0.00 N ATOM 996 CA SER B 542 -7.190 3.622 -6.164 1.00 0.00 C ATOM 997 C SER B 542 -5.933 4.382 -6.567 1.00 0.00 C ATOM 998 O SER B 542 -4.944 3.784 -6.958 1.00 0.00 O ATOM 999 CB SER B 542 -8.179 3.568 -7.331 1.00 0.01 C ATOM 1000 OG SER B 542 -8.514 4.868 -7.781 1.00 1.20 O ATOM 0 H SER B 542 -8.758 4.585 -5.136 1.00 0.00 H new ATOM 0 HA SER B 542 -6.912 2.601 -5.904 1.00 0.00 H new ATOM 0 HB2 SER B 542 -7.745 2.997 -8.152 1.00 0.01 H new ATOM 0 HB3 SER B 542 -9.083 3.044 -7.021 1.00 0.01 H new ATOM 0 HG SER B 542 -8.628 5.462 -7.010 1.00 1.20 H new ATOM 1006 N ASN B 543 -6.007 5.706 -6.462 1.00 0.00 N ATOM 1007 CA ASN B 543 -4.957 6.613 -6.889 1.00 0.00 C ATOM 1008 C ASN B 543 -3.684 6.555 -6.034 1.00 0.00 C ATOM 1009 O ASN B 543 -2.564 6.476 -6.540 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.489 8.048 -6.903 1.00 0.01 C ATOM 1011 CG ASN B 543 -4.468 9.044 -7.420 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -4.434 10.195 -6.984 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -3.634 8.610 -8.358 1.00 1.80 N ATOM 0 H ASN B 543 -6.818 6.184 -6.069 1.00 0.00 H new ATOM 0 HA ASN B 543 -4.671 6.287 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -6.383 8.094 -7.525 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -5.788 8.331 -5.894 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -2.931 9.239 -8.745 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -3.697 7.648 -8.691 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 -3.817 1.00 0.00 C ATOM 1022 C ILE B 544 -2.124 4.981 -4.206 1.00 0.00 C ATOM 1023 O ILE B 544 -0.899 4.863 -4.295 1.00 0.00 O ATOM 1024 CB ILE B 544 -3.276 6.222 -2.359 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -4.155 7.423 -2.006 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -2.095 6.121 -1.404 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -5.019 7.199 -0.782 1.00 1.81 C ATOM 0 H ILE B 544 -4.761 6.783 -4.282 1.00 0.00 H new ATOM 0 HA ILE B 544 -2.071 7.146 -3.882 1.00 0.00 H new ATOM 0 HB ILE B 544 -3.878 5.319 -2.259 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -3.519 8.292 -1.838 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -4.796 7.657 -2.856 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -2.460 6.052 -0.379 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -1.510 5.232 -1.641 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -1.468 7.006 -1.506 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -5.616 8.091 -0.590 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -5.680 6.350 -0.954 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -4.383 6.995 0.080 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 -1.647 2.722 -6.184 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 -3.506 1.628 -4.903 1.00 0.04 C ATOM 1044 CG MET B 545 -4.206 1.405 -3.571 1.00 0.88 C ATOM 1045 SD MET B 545 -3.065 0.963 -2.245 1.00 1.81 S ATOM 1046 CE MET B 545 -2.751 2.568 -1.512 1.00 2.60 C ATOM 0 H MET B 545 -3.962 4.014 -4.406 1.00 0.00 H new ATOM 0 HA MET B 545 -1.666 2.400 -4.084 1.00 0.00 H new ATOM 0 HB2 MET B 545 -4.244 1.934 -5.644 1.00 0.04 H new ATOM 0 HB3 MET B 545 -3.085 0.683 -5.245 1.00 0.04 H new ATOM 0 HG2 MET B 545 -4.745 2.311 -3.293 1.00 0.88 H new ATOM 0 HG3 MET B 545 -4.948 0.615 -3.684 1.00 0.88 H new ATOM 0 HE1 MET B 545 -2.559 2.450 -0.446 1.00 2.60 H new ATOM 0 HE2 MET B 545 -1.883 3.022 -1.989 1.00 2.60 H new ATOM 0 HE3 MET B 545 -3.620 3.210 -1.655 1.00 2.60 H new ATOM 1056 N TYR B 546 -2.207 3.422 -7.164 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 4.209 -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 -2.328 4.398 -9.404 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.728 4.469 -10.791 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.988 3.480 -11.731 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -0.901 5.524 -11.162 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -1.442 3.537 -12.999 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.352 5.589 -12.429 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.625 4.594 -13.343 1.00 1.57 C ATOM 1067 OH TYR B 546 -0.079 4.655 -14.604 1.00 2.08 O ATOM 0 H TYR B 546 -3.114 3.886 -7.112 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.360 2.570 -8.852 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.332 3.979 -9.473 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.430 5.409 -9.010 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.628 2.652 -11.466 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -0.684 6.305 -10.448 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -1.654 2.758 -13.717 1.00 1.00 H new ATOM 0 HE2 TYR B 546 0.288 6.415 -12.701 1.00 1.68 H new ATOM 0 HH TYR B 546 0.470 5.463 -14.684 1.00 2.08 H new ATOM 1077 N ILE B 547 -0.134 5.313 -7.439 1.00 0.00 N ATOM 1078 CA ILE B 547 1.092 6.045 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.148 5.160 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.250 4.976 -6.967 1.00 0.00 O ATOM 1081 CB ILE B 547 0.793 7.257 -6.197 1.00 0.06 C ATOM 1082 CG1 ILE B 547 -0.097 8.268 -6.931 1.00 0.74 C ATOM 1083 CG2 ILE B 547 2.086 7.917 -5.738 1.00 0.78 C ATOM 1084 CD1 ILE B 547 0.525 8.835 -8.192 1.00 1.50 C ATOM 0 H ILE B 547 -0.979 5.727 -7.045 1.00 0.00 H new ATOM 0 HA ILE B 547 1.497 6.395 -8.056 1.00 0.00 H new ATOM 0 HB ILE B 547 0.260 6.902 -5.315 1.00 0.06 H new ATOM 0 HG12 ILE B 547 -1.040 7.787 -7.188 1.00 0.74 H new ATOM 0 HG13 ILE B 547 -0.332 9.089 -6.253 1.00 0.74 H new ATOM 0 HG21 ILE B 547 1.853 8.769 -5.099 1.00 0.78 H new ATOM 0 HG22 ILE B 547 2.684 7.197 -5.179 1.00 0.78 H new ATOM 0 HG23 ILE B 547 2.648 8.259 -6.607 1.00 0.78 H new ATOM 0 HD11 ILE B 547 -0.166 9.541 -8.653 1.00 1.50 H new ATOM 0 HD12 ILE B 547 1.454 9.347 -7.941 1.00 1.50 H new ATOM 0 HD13 ILE B 547 0.735 8.025 -8.890 1.00 1.50 H new ATOM 1096 N VAL B 548 1.820 4.606 -5.289 1.00 0.00 N ATOM 1097 CA VAL B 548 2.743 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 4.477 2.341 -5.636 1.00 0.00 O ATOM 1100 CB VAL B 548 2.055 2.952 -3.472 1.00 0.03 C ATOM 1101 CG1 VAL B 548 3.008 1.964 -2.820 1.00 1.40 C ATOM 1102 CG2 VAL B 548 1.529 3.948 -2.449 1.00 1.39 C ATOM 0 H VAL B 548 0.945 4.769 -4.791 1.00 0.00 H new ATOM 0 HA VAL B 548 3.571 4.284 -4.258 1.00 0.00 H new ATOM 0 HB VAL B 548 1.209 2.393 -3.872 1.00 0.03 H new ATOM 0 HG11 VAL B 548 2.501 1.457 -1.999 1.00 1.40 H new ATOM 0 HG12 VAL B 548 3.330 1.228 -3.557 1.00 1.40 H new ATOM 0 HG13 VAL B 548 3.878 2.497 -2.435 1.00 1.40 H new ATOM 0 HG21 VAL B 548 1.047 3.411 -1.633 1.00 1.39 H new ATOM 0 HG22 VAL B 548 2.357 4.538 -2.056 1.00 1.39 H new ATOM 0 HG23 VAL B 548 0.806 4.610 -2.925 1.00 1.39 H new ATOM 1112 N GLY B 549 2.416 2.077 -6.461 1.00 0.00 N ATOM 1113 CA GLY B 549 2.816 1.046 -7.407 1.00 0.00 C ATOM 1114 C GLY B 549 3.916 1.501 -8.347 1.00 0.00 C ATOM 1115 O GLY B 549 4.729 0.701 -8.825 1.00 0.00 O ATOM 0 H GLY B 549 1.425 2.318 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.155 0.168 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.948 0.741 -7.992 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.807 -8.597 1.00 0.00 N ATOM 1120 CA GLN B 550 4.881 3.390 -9.552 1.00 0.00 C ATOM 1121 C GLN B 550 6.224 3.728 -8.929 1.00 0.00 C ATOM 1122 O GLN B 550 7.178 4.046 -9.636 1.00 0.00 O ATOM 1123 CB GLN B 550 4.272 4.645 -10.177 1.00 0.01 C ATOM 1124 CG GLN B 550 3.032 4.368 -11.011 1.00 1.12 C ATOM 1125 CD GLN B 550 3.306 3.428 -12.169 1.00 1.59 C ATOM 1126 OE1 GLN B 550 3.195 2.210 -12.035 1.00 2.25 O ATOM 1127 NE2 GLN B 550 3.669 3.991 -13.315 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.486 -8.144 1.00 0.00 H new ATOM 0 HA GLN B 550 5.060 2.639 -10.321 1.00 0.00 H new ATOM 0 HB2 GLN B 550 4.017 5.349 -9.384 1.00 0.01 H new ATOM 0 HB3 GLN B 550 5.021 5.129 -10.804 1.00 0.01 H new ATOM 0 HG2 GLN B 550 2.259 3.938 -10.374 1.00 1.12 H new ATOM 0 HG3 GLN B 550 2.640 5.309 -11.397 1.00 1.12 H new ATOM 0 HE21 GLN B 550 3.749 5.006 -13.382 1.00 2.27 H new ATOM 0 HE22 GLN B 550 3.868 3.409 -14.129 1.00 2.27 H new ATOM 1136 N TYR B 551 6.301 3.639 -7.605 1.00 0.00 N ATOM 1137 CA TYR B 551 7.521 4.004 -6.906 1.00 0.00 C ATOM 1138 C TYR B 551 8.132 2.858 -6.086 1.00 0.00 C ATOM 1139 O TYR B 551 8.288 2.969 -4.871 1.00 0.00 O ATOM 1140 CB TYR B 551 7.259 5.210 -6.007 1.00 0.08 C ATOM 1141 CG TYR B 551 6.901 6.464 -6.773 1.00 0.90 C ATOM 1142 CD1 TYR B 551 7.870 7.177 -7.468 1.00 1.80 C ATOM 1143 CD2 TYR B 551 5.595 6.933 -6.805 1.00 1.10 C ATOM 1144 CE1 TYR B 551 7.548 8.322 -8.171 1.00 2.65 C ATOM 1145 CE2 TYR B 551 5.263 8.077 -7.507 1.00 1.91 C ATOM 1146 CZ TYR B 551 6.245 8.773 -8.179 1.00 2.65 C ATOM 1147 OH TYR B 551 5.918 9.907 -8.887 1.00 3.53 O ATOM 0 H TYR B 551 5.541 3.321 -7.003 1.00 0.00 H new ATOM 0 HA TYR B 551 8.255 4.252 -7.673 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.449 4.971 -5.318 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.146 5.403 -5.403 1.00 0.08 H new ATOM 0 HD1 TYR B 551 8.893 6.830 -7.459 1.00 1.80 H new ATOM 0 HD2 TYR B 551 4.825 6.395 -6.272 1.00 1.10 H new ATOM 0 HE1 TYR B 551 8.312 8.861 -8.711 1.00 2.65 H new ATOM 0 HE2 TYR B 551 4.240 8.423 -7.529 1.00 1.91 H new ATOM 0 HH TYR B 551 4.960 10.088 -8.790 1.00 3.53 H new ATOM 1157 N PRO B 552 8.484 1.747 -6.754 1.00 0.00 N ATOM 1158 CA PRO B 552 9.115 0.635 -6.029 1.00 0.00 C ATOM 1159 C PRO B 552 10.379 1.050 -5.272 1.00 0.00 C ATOM 1160 O PRO B 552 10.617 0.552 -4.182 1.00 0.00 O ATOM 1161 CB PRO B 552 9.456 -0.370 -7.138 1.00 0.01 C ATOM 1162 CG PRO B 552 9.363 0.395 -8.420 1.00 0.46 C ATOM 1163 CD PRO B 552 8.351 1.482 -8.191 1.00 0.02 C ATOM 0 HA PRO B 552 8.454 0.237 -5.259 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.456 -0.782 -6.999 1.00 0.01 H new ATOM 0 HB3 PRO B 552 8.762 -1.210 -7.132 1.00 0.01 H new ATOM 0 HG2 PRO B 552 10.331 0.816 -8.692 1.00 0.46 H new ATOM 0 HG3 PRO B 552 9.056 -0.255 -9.239 1.00 0.46 H new ATOM 0 HD2 PRO B 552 8.566 2.368 -8.788 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.343 1.159 -8.452 1.00 0.02 H new ATOM 1171 N ARG B 553 11.202 1.914 -5.860 1.00 0.00 N ATOM 1172 CA ARG B 553 12.483 2.259 -5.259 1.00 0.00 C ATOM 1173 C ARG B 553 12.268 2.790 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.957 2.402 -2.912 1.00 0.00 O ATOM 1175 CB ARG B 553 13.230 3.281 -6.119 1.00 0.01 C ATOM 1176 CG ARG B 553 12.370 4.441 -6.586 1.00 1.17 C ATOM 1177 CD ARG B 553 13.113 5.312 -7.586 1.00 1.73 C ATOM 1178 NE ARG B 553 14.396 5.774 -7.061 1.00 2.26 N ATOM 1179 CZ ARG B 553 15.441 6.073 -7.827 1.00 3.06 C ATOM 1180 NH1 ARG B 553 15.357 5.954 -9.146 1.00 3.50 N ATOM 1181 NH2 ARG B 553 16.573 6.489 -7.276 1.00 3.87 N ATOM 0 H ARG B 553 11.006 2.383 -6.744 1.00 0.00 H new ATOM 0 HA ARG B 553 13.097 1.360 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG B 553 14.073 3.673 -5.549 1.00 0.01 H new ATOM 0 HB3 ARG B 553 13.643 2.774 -6.991 1.00 0.01 H new ATOM 0 HG2 ARG B 553 11.456 4.059 -7.042 1.00 1.17 H new ATOM 0 HG3 ARG B 553 12.071 5.043 -5.728 1.00 1.17 H new ATOM 0 HD2 ARG B 553 13.278 4.749 -8.505 1.00 1.73 H new ATOM 0 HD3 ARG B 553 12.496 6.172 -7.846 1.00 1.73 H new ATOM 0 HE ARG B 553 14.496 5.873 -6.051 1.00 2.26 H new ATOM 0 HH11 ARG B 553 14.489 5.632 -9.575 1.00 3.50 H new ATOM 0 HH12 ARG B 553 16.160 6.184 -9.731 1.00 3.50 H new ATOM 0 HH21 ARG B 553 16.644 6.580 -6.263 1.00 3.87 H new ATOM 0 HH22 ARG B 553 17.373 6.718 -7.866 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 10.770 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 10.934 2.836 -0.406 1.00 0.00 O ATOM 1199 CB PHE B 554 9.541 5.033 -2.639 1.00 0.03 C ATOM 1200 CG PHE B 554 9.070 5.696 -1.373 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.734 6.801 -0.867 1.00 0.40 C ATOM 1202 CD2 PHE B 554 7.968 5.210 -0.686 1.00 0.59 C ATOM 1203 CE1 PHE B 554 9.310 7.411 0.298 1.00 0.45 C ATOM 1204 CE2 PHE B 554 7.539 5.816 0.481 1.00 0.70 C ATOM 1205 CZ PHE B 554 8.211 6.918 0.974 1.00 0.48 C ATOM 0 H PHE B 554 10.864 4.154 -4.516 1.00 0.00 H new ATOM 0 HA PHE B 554 11.557 4.715 -1.944 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.776 5.800 -3.377 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.730 4.432 -3.050 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.595 7.191 -1.390 1.00 0.40 H new ATOM 0 HD2 PHE B 554 7.439 4.349 -1.066 1.00 0.59 H new ATOM 0 HE1 PHE B 554 9.837 8.273 0.680 1.00 0.45 H new ATOM 0 HE2 PHE B 554 6.679 5.428 1.007 1.00 0.70 H new ATOM 0 HZ PHE B 554 7.878 7.392 1.885 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 0.113 -0.795 1.00 0.00 C ATOM 1218 O LEU B 555 10.322 -0.251 0.377 1.00 0.00 O ATOM 1219 CB LEU B 555 8.055 0.113 -2.047 1.00 0.03 C ATOM 1220 CG LEU B 555 6.602 0.591 -2.030 1.00 0.54 C ATOM 1221 CD1 LEU B 555 6.482 1.959 -2.685 1.00 1.49 C ATOM 1222 CD2 LEU B 555 5.704 -0.420 -2.726 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 8.509 1.321 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU B 555 8.402 0.094 -3.080 1.00 0.03 H new ATOM 0 HB3 LEU B 555 8.087 -0.913 -1.680 1.00 0.03 H new ATOM 0 HG LEU B 555 6.279 0.681 -0.993 1.00 0.54 H new ATOM 0 HD11 LEU B 555 5.441 2.283 -2.664 1.00 1.49 H new ATOM 0 HD12 LEU B 555 7.097 2.677 -2.142 1.00 1.49 H new ATOM 0 HD13 LEU B 555 6.822 1.898 -3.719 1.00 1.49 H new ATOM 0 HD21 LEU B 555 4.673 -0.066 -2.706 1.00 1.34 H new ATOM 0 HD22 LEU B 555 6.026 -0.541 -3.760 1.00 1.34 H new ATOM 0 HD23 LEU B 555 5.768 -1.379 -2.211 1.00 1.34 H new ATOM 1234 N ARG B 556 11.072 -0.175 -1.756 1.00 0.00 N ATOM 1235 CA ARG B 556 12.244 -1.010 -1.532 1.00 0.00 C ATOM 1236 C ARG B 556 13.132 -0.534 -0.370 1.00 0.00 C ATOM 1237 O ARG B 556 13.691 -1.351 0.380 1.00 0.00 O ATOM 1238 CB ARG B 556 13.076 -1.090 -2.812 1.00 0.02 C ATOM 1239 CG ARG B 556 12.404 -1.880 -3.924 1.00 1.02 C ATOM 1240 CD ARG B 556 13.198 -1.809 -5.218 1.00 1.14 C ATOM 1241 NE ARG B 556 14.543 -2.356 -5.071 1.00 1.74 N ATOM 1242 CZ ARG B 556 15.428 -2.415 -6.062 1.00 2.13 C ATOM 1243 NH1 ARG B 556 15.104 -1.971 -7.270 1.00 1.99 N ATOM 1244 NH2 ARG B 556 16.635 -2.920 -5.849 1.00 3.09 N ATOM 0 H ARG B 556 10.984 0.165 -2.714 1.00 0.00 H new ATOM 0 HA ARG B 556 11.868 -1.994 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG B 556 13.280 -0.080 -3.167 1.00 0.02 H new ATOM 0 HB3 ARG B 556 14.038 -1.548 -2.582 1.00 0.02 H new ATOM 0 HG2 ARG B 556 12.297 -2.921 -3.618 1.00 1.02 H new ATOM 0 HG3 ARG B 556 11.399 -1.492 -4.091 1.00 1.02 H new ATOM 0 HD2 ARG B 556 12.668 -2.356 -5.998 1.00 1.14 H new ATOM 0 HD3 ARG B 556 13.264 -0.771 -5.545 1.00 1.14 H new ATOM 0 HE ARG B 556 14.820 -2.713 -4.157 1.00 1.74 H new ATOM 0 HH11 ARG B 556 14.176 -1.584 -7.439 1.00 1.99 H new ATOM 0 HH12 ARG B 556 15.783 -2.017 -8.029 1.00 1.99 H new ATOM 0 HH21 ARG B 556 16.887 -3.265 -4.923 1.00 3.09 H new ATOM 0 HH22 ARG B 556 17.311 -2.964 -6.611 1.00 3.09 H new ATOM 1258 N ALA B 557 13.236 0.780 -0.208 1.00 0.00 N ATOM 1259 CA ALA B 557 14.100 1.333 0.837 1.00 0.00 C ATOM 1260 C ALA B 557 13.382 1.434 2.180 1.00 0.00 C ATOM 1261 O ALA B 557 14.029 1.659 3.197 1.00 0.00 O ATOM 1262 CB ALA B 557 14.621 2.699 0.417 1.00 0.00 C ATOM 0 H ALA B 557 12.745 1.473 -0.773 1.00 0.00 H new ATOM 0 HA ALA B 557 14.938 0.648 0.965 1.00 0.00 H new ATOM 0 HB1 ALA B 557 15.262 3.101 1.201 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.193 2.602 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.781 3.374 0.254 1.00 0.00 H new ATOM 1268 N HIS B 558 12.060 1.265 2.189 1.00 0.00 N ATOM 1269 CA HIS B 558 11.289 1.400 3.442 1.00 0.00 C ATOM 1270 C HIS B 558 10.362 0.209 3.752 1.00 0.00 C ATOM 1271 O HIS B 558 9.150 0.300 3.572 1.00 0.00 O ATOM 1272 CB HIS B 558 10.463 2.689 3.403 1.00 0.08 C ATOM 1273 CG HIS B 558 9.922 3.105 4.739 1.00 1.15 C ATOM 1274 ND1 HIS B 558 9.030 4.145 4.895 1.00 2.12 N ATOM 1275 CD2 HIS B 558 10.154 2.622 5.986 1.00 2.10 C ATOM 1276 CE1 HIS B 558 8.739 4.286 6.176 1.00 2.93 C ATOM 1277 NE2 HIS B 558 9.406 3.375 6.858 1.00 2.91 N ATOM 0 H HIS B 558 11.502 1.039 1.365 1.00 0.00 H new ATOM 0 HA HIS B 558 12.027 1.427 4.244 1.00 0.00 H new ATOM 0 HB2 HIS B 558 11.082 3.494 3.006 1.00 0.08 H new ATOM 0 HB3 HIS B 558 9.632 2.555 2.711 1.00 0.08 H new ATOM 0 HD2 HIS B 558 10.805 1.800 6.244 1.00 2.10 H new ATOM 0 HE1 HIS B 558 8.069 5.022 6.594 1.00 2.93 H new ATOM 0 HE2 HIS B 558 9.372 3.250 7.870 1.00 2.91 H new ATOM 1286 N TRP B 559 10.924 -0.884 4.260 1.00 0.00 N ATOM 1287 CA TRP B 559 10.154 -2.119 4.519 1.00 0.00 C ATOM 1288 C TRP B 559 8.849 -1.962 5.322 1.00 0.00 C ATOM 1289 O TRP B 559 7.801 -2.516 4.947 1.00 0.00 O ATOM 1290 CB TRP B 559 11.050 -3.132 5.231 1.00 0.02 C ATOM 1291 CG TRP B 559 12.375 -3.327 4.559 1.00 1.09 C ATOM 1292 CD1 TRP B 559 12.624 -4.051 3.430 1.00 2.27 C ATOM 1293 CD2 TRP B 559 13.635 -2.790 4.978 1.00 1.54 C ATOM 1294 NE1 TRP B 559 13.962 -3.998 3.120 1.00 2.97 N ATOM 1295 CE2 TRP B 559 14.603 -3.230 4.056 1.00 2.47 C ATOM 1296 CE3 TRP B 559 14.037 -1.980 6.043 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 15.948 -2.885 4.167 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 15.372 -1.638 6.152 1.00 2.76 C ATOM 1299 CH2 TRP B 559 16.313 -2.090 5.218 1.00 3.08 C ATOM 0 H TRP B 559 11.912 -0.950 4.505 1.00 0.00 H new ATOM 0 HA TRP B 559 9.838 -2.453 3.531 1.00 0.00 H new ATOM 0 HB2 TRP B 559 11.216 -2.802 6.257 1.00 0.02 H new ATOM 0 HB3 TRP B 559 10.533 -4.090 5.284 1.00 0.02 H new ATOM 0 HD1 TRP B 559 11.878 -4.588 2.862 1.00 2.27 H new ATOM 0 HE1 TRP B 559 14.405 -4.456 2.323 1.00 2.97 H new ATOM 0 HE3 TRP B 559 13.318 -1.628 6.768 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 16.676 -3.233 3.449 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 15.695 -1.012 6.971 1.00 2.76 H new ATOM 0 HH2 TRP B 559 17.349 -1.805 5.330 1.00 3.08 H new ATOM 1310 N LYS B 560 8.926 -1.243 6.437 1.00 0.00 N ATOM 1311 CA LYS B 560 7.765 -1.020 7.282 1.00 0.00 C ATOM 1312 C LYS B 560 6.626 -0.373 6.493 1.00 0.00 C ATOM 1313 O LYS B 560 5.460 -0.679 6.712 1.00 0.00 O ATOM 1314 CB LYS B 560 8.143 -0.132 8.472 1.00 0.01 C ATOM 1315 CG LYS B 560 7.000 0.108 9.449 1.00 1.26 C ATOM 1316 CD LYS B 560 6.542 -1.181 10.117 1.00 1.83 C ATOM 1317 CE LYS B 560 7.633 -1.781 10.990 1.00 2.58 C ATOM 1318 NZ LYS B 560 8.052 -0.850 12.074 1.00 3.32 N ATOM 0 H LYS B 560 9.783 -0.805 6.774 1.00 0.00 H new ATOM 0 HA LYS B 560 7.422 -1.988 7.648 1.00 0.00 H new ATOM 0 HB2 LYS B 560 8.974 -0.592 9.006 1.00 0.01 H new ATOM 0 HB3 LYS B 560 8.497 0.829 8.098 1.00 0.01 H new ATOM 0 HG2 LYS B 560 7.318 0.819 10.212 1.00 1.26 H new ATOM 0 HG3 LYS B 560 6.161 0.561 8.921 1.00 1.26 H new ATOM 0 HD2 LYS B 560 5.659 -0.982 10.724 1.00 1.83 H new ATOM 0 HD3 LYS B 560 6.249 -1.902 9.354 1.00 1.83 H new ATOM 0 HE2 LYS B 560 7.275 -2.712 11.429 1.00 2.58 H new ATOM 0 HE3 LYS B 560 8.496 -2.031 10.372 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 8.598 -1.372 12.788 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 8.642 -0.093 11.673 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 7.209 -0.433 12.519 1.00 3.32 H new ATOM 1332 N PHE B 561 6.958 0.520 5.571 1.00 0.00 N ATOM 1333 CA PHE B 561 5.915 1.090 4.729 1.00 0.00 C ATOM 1334 C PHE B 561 5.432 0.093 3.657 1.00 0.00 C ATOM 1335 O PHE B 561 4.233 -0.060 3.441 1.00 0.00 O ATOM 1336 CB PHE B 561 6.416 2.371 4.058 1.00 0.03 C ATOM 1337 CG PHE B 561 5.314 3.306 3.642 1.00 0.40 C ATOM 1338 CD1 PHE B 561 4.496 3.003 2.564 1.00 0.95 C ATOM 1339 CD2 PHE B 561 5.094 4.487 4.332 1.00 0.98 C ATOM 1340 CE1 PHE B 561 3.481 3.860 2.184 1.00 1.18 C ATOM 1341 CE2 PHE B 561 4.080 5.348 3.957 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.273 5.035 2.881 1.00 1.14 C ATOM 0 H PHE B 561 7.904 0.856 5.390 1.00 0.00 H new ATOM 0 HA PHE B 561 5.068 1.323 5.374 1.00 0.00 H new ATOM 0 HB2 PHE B 561 7.084 2.893 4.744 1.00 0.03 H new ATOM 0 HB3 PHE B 561 7.005 2.105 3.180 1.00 0.03 H new ATOM 0 HD1 PHE B 561 4.654 2.086 2.015 1.00 0.95 H new ATOM 0 HD2 PHE B 561 5.723 4.738 5.173 1.00 0.98 H new ATOM 0 HE1 PHE B 561 2.851 3.612 1.343 1.00 1.18 H new ATOM 0 HE2 PHE B 561 3.919 6.265 4.505 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.481 5.707 2.585 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 6.061 -1.621 2.037 1.00 0.00 C ATOM 1354 C LEU B 562 5.078 -2.619 2.644 1.00 0.00 C ATOM 1355 O LEU B 562 3.985 -2.805 2.118 1.00 0.00 O ATOM 1356 CB LEU B 562 7.343 -2.338 1.598 1.00 0.03 C ATOM 1357 CG LEU B 562 7.229 -3.173 0.318 1.00 0.45 C ATOM 1358 CD1 LEU B 562 8.610 -3.476 -0.240 1.00 1.32 C ATOM 1359 CD2 LEU B 562 6.474 -4.467 0.580 1.00 1.23 C ATOM 0 H LEU B 562 7.373 -0.411 3.115 1.00 0.00 H new ATOM 0 HA LEU B 562 5.599 -1.165 1.162 1.00 0.00 H new ATOM 0 HB2 LEU B 562 8.125 -1.592 1.455 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.669 -2.990 2.408 1.00 0.03 H new ATOM 0 HG LEU B 562 6.671 -2.593 -0.417 1.00 0.45 H new ATOM 0 HD11 LEU B 562 8.513 -4.070 -1.149 1.00 1.32 H new ATOM 0 HD12 LEU B 562 9.123 -2.542 -0.470 1.00 1.32 H new ATOM 0 HD13 LEU B 562 9.186 -4.034 0.498 1.00 1.32 H new ATOM 0 HD21 LEU B 562 6.406 -5.042 -0.343 1.00 1.23 H new ATOM 0 HD22 LEU B 562 7.003 -5.051 1.333 1.00 1.23 H new ATOM 0 HD23 LEU B 562 5.471 -4.237 0.938 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 -3.694 4.718 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 5.243 -4.635 5.767 1.00 0.03 C ATOM 1376 CG LYS B 563 4.465 -5.715 6.506 1.00 1.29 C ATOM 1377 CD LYS B 563 5.074 -6.023 7.865 1.00 1.53 C ATOM 1378 CE LYS B 563 4.919 -4.855 8.828 1.00 2.10 C ATOM 1379 NZ LYS B 563 5.399 -5.195 10.196 1.00 2.74 N ATOM 0 H LYS B 563 6.376 -3.111 4.193 1.00 0.00 H new ATOM 0 HA LYS B 563 4.498 -5.065 3.769 1.00 0.00 H new ATOM 0 HB2 LYS B 563 6.253 -4.995 5.572 1.00 0.03 H new ATOM 0 HB3 LYS B 563 5.335 -3.760 6.411 1.00 0.03 H new ATOM 0 HG2 LYS B 563 3.432 -5.394 6.636 1.00 1.29 H new ATOM 0 HG3 LYS B 563 4.443 -6.623 5.904 1.00 1.29 H new ATOM 0 HD2 LYS B 563 4.596 -6.908 8.286 1.00 1.53 H new ATOM 0 HD3 LYS B 563 6.132 -6.258 7.745 1.00 1.53 H new ATOM 0 HE2 LYS B 563 5.476 -3.997 8.451 1.00 2.10 H new ATOM 0 HE3 LYS B 563 3.871 -4.559 8.874 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 5.276 -4.373 10.821 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 4.851 -5.997 10.567 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 6.406 -5.452 10.157 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.410 5.073 1.00 0.00 N ATOM 1394 CA THR B 564 1.834 -1.783 5.448 1.00 0.00 C ATOM 1395 C THR B 564 0.949 -1.595 4.220 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 2.030 -0.429 6.161 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.919 0.407 5.416 1.00 1.17 O ATOM 1399 CG2 THR B 564 2.572 -0.633 7.568 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.780 5.107 1.00 0.00 H new ATOM 0 HA THR B 564 1.348 -2.456 6.155 1.00 0.00 H new ATOM 0 HB THR B 564 1.058 0.059 6.228 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.167 -0.042 4.581 1.00 1.17 H new ATOM 0 HG21 THR B 564 2.702 0.335 8.052 1.00 1.24 H new ATOM 0 HG22 THR B 564 1.870 -1.235 8.145 1.00 1.24 H new ATOM 0 HG23 THR B 564 3.533 -1.145 7.517 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 1.839 1.00 0.00 C ATOM 1409 C VAL B 565 0.350 -2.512 1.370 1.00 0.00 C ATOM 1410 O VAL B 565 -0.763 -2.604 0.859 1.00 0.00 O ATOM 1411 CB VAL B 565 1.737 -0.499 0.728 1.00 0.06 C ATOM 1412 CG1 VAL B 565 2.414 -1.544 -0.152 1.00 1.19 C ATOM 1413 CG2 VAL B 565 0.865 0.425 -0.110 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 0.029 -0.492 2.021 1.00 0.00 H new ATOM 0 HB VAL B 565 2.531 0.078 1.202 1.00 0.06 H new ATOM 0 HG11 VAL B 565 3.005 -1.045 -0.920 1.00 1.19 H new ATOM 0 HG12 VAL B 565 3.066 -2.168 0.460 1.00 1.19 H new ATOM 0 HG13 VAL B 565 1.656 -2.167 -0.626 1.00 1.19 H new ATOM 0 HG21 VAL B 565 1.468 0.882 -0.895 1.00 1.18 H new ATOM 0 HG22 VAL B 565 0.056 -0.149 -0.562 1.00 1.18 H new ATOM 0 HG23 VAL B 565 0.446 1.205 0.526 1.00 1.18 H new ATOM 1423 N VAL B 566 1.147 -3.562 1.549 1.00 0.00 N ATOM 1424 CA VAL B 566 0.755 -4.879 1.066 1.00 0.00 C ATOM 1425 C VAL B 566 -0.385 -5.447 1.904 1.00 0.00 C ATOM 1426 O VAL B 566 -1.412 -5.873 1.369 1.00 0.00 O ATOM 1427 CB VAL B 566 1.944 -5.861 1.080 1.00 0.04 C ATOM 1428 CG1 VAL B 566 1.506 -7.247 0.634 1.00 1.36 C ATOM 1429 CG2 VAL B 566 3.070 -5.346 0.197 1.00 1.36 C ATOM 0 H VAL B 566 2.053 -3.527 2.017 1.00 0.00 H new ATOM 0 HA VAL B 566 0.417 -4.758 0.037 1.00 0.00 H new ATOM 0 HB VAL B 566 2.313 -5.935 2.103 1.00 0.04 H new ATOM 0 HG11 VAL B 566 2.361 -7.922 0.652 1.00 1.36 H new ATOM 0 HG12 VAL B 566 0.735 -7.620 1.309 1.00 1.36 H new ATOM 0 HG13 VAL B 566 1.107 -7.194 -0.379 1.00 1.36 H new ATOM 0 HG21 VAL B 566 3.901 -6.051 0.219 1.00 1.36 H new ATOM 0 HG22 VAL B 566 2.710 -5.240 -0.827 1.00 1.36 H new ATOM 0 HG23 VAL B 566 3.407 -4.377 0.565 1.00 1.36 H new ATOM 1439 N ASN B 567 -0.203 -5.433 3.217 1.00 0.00 N ATOM 1440 CA ASN B 567 -1.296 -5.756 4.118 1.00 0.00 C ATOM 1441 C ASN B 567 -2.564 -4.942 3.802 1.00 0.00 C ATOM 1442 O ASN B 567 -3.673 -5.446 3.906 1.00 0.00 O ATOM 1443 CB ASN B 567 -0.873 -5.517 5.568 1.00 0.01 C ATOM 1444 CG ASN B 567 -0.182 -6.723 6.174 1.00 1.12 C ATOM 1445 OD1 ASN B 567 -0.825 -7.586 6.771 1.00 1.94 O ATOM 1446 ND2 ASN B 567 1.136 -6.791 6.023 1.00 1.91 N ATOM 0 H ASN B 567 0.679 -5.205 3.676 1.00 0.00 H new ATOM 0 HA ASN B 567 -1.535 -6.810 3.975 1.00 0.00 H new ATOM 0 HB2 ASN B 567 -0.204 -4.658 5.612 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -1.751 -5.267 6.164 1.00 0.01 H new ATOM 0 HD21 ASN B 567 1.654 -7.581 6.409 1.00 1.91 H new ATOM 0 HD22 ASN B 567 1.631 -6.054 5.521 1.00 1.91 H new ATOM 1453 N LYS B 568 -2.392 -3.681 3.422 1.00 0.00 N ATOM 1454 CA LYS B 568 -3.539 -2.830 3.119 1.00 0.00 C ATOM 1455 C LYS B 568 -4.157 -3.255 1.800 1.00 0.00 C ATOM 1456 O LYS B 568 -5.362 -3.142 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.125 -1.358 3.060 1.00 0.02 C ATOM 1458 CG LYS B 568 -3.045 -0.689 4.425 1.00 0.94 C ATOM 1459 CD LYS B 568 -4.417 -0.576 5.070 1.00 1.74 C ATOM 1460 CE LYS B 568 -4.352 0.162 6.397 1.00 2.68 C ATOM 1461 NZ LYS B 568 -3.449 -0.516 7.369 1.00 3.53 N ATOM 0 H LYS B 568 -1.484 -3.229 3.317 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.276 -2.942 3.914 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.154 -1.282 2.571 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -3.838 -0.814 2.440 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -2.383 -1.262 5.074 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -2.608 0.304 4.320 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -5.095 -0.053 4.395 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -4.829 -1.573 5.227 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -4.004 1.181 6.228 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -5.353 0.234 6.821 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -3.574 -0.094 8.311 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -3.681 -1.529 7.410 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -2.461 -0.399 7.065 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 -0.391 1.00 0.00 C ATOM 1477 C LEU B 569 -4.585 -5.515 -0.159 1.00 0.00 C ATOM 1478 O LEU B 569 -5.572 -5.769 -0.842 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.588 -4.519 -1.314 1.00 0.05 C ATOM 1480 CG LEU B 569 -2.340 -3.486 -2.414 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -1.979 -2.135 -1.817 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -1.240 -3.967 -3.348 1.00 1.89 C ATOM 0 H LEU B 569 -2.307 -3.777 1.021 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.399 -3.473 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -1.688 -4.598 -0.705 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -2.744 -5.491 -1.781 1.00 0.05 H new ATOM 0 HG LEU B 569 -3.259 -3.367 -2.987 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -1.807 -1.417 -2.619 1.00 2.01 H new ATOM 0 HD12 LEU B 569 -2.796 -1.786 -1.186 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -1.074 -2.232 -1.217 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -1.073 -3.223 -4.127 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -0.320 -4.113 -2.782 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -1.538 -4.910 -3.806 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 -4.079 -8.375 2.171 1.00 0.02 C ATOM 1499 CG PHE B 570 -2.799 -8.968 1.639 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -2.666 -9.301 0.298 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -1.730 -9.201 2.489 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -1.493 -9.852 -0.181 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -0.554 -9.751 2.016 1.00 3.12 C ATOM 1504 CZ PHE B 570 -0.437 -10.077 0.679 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 -4.978 -8.146 0.239 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.844 -7.740 3.025 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -4.713 -9.181 2.539 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -3.489 -9.127 -0.379 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -1.817 -8.949 3.536 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -1.402 -10.106 -1.227 1.00 3.25 H new ATOM 0 HE2 PHE B 570 0.272 -9.926 2.690 1.00 3.12 H new ATOM 0 HZ PHE B 570 0.481 -10.508 0.306 1.00 3.77 H new ATOM 1514 N GLU B 571 -6.312 -6.169 2.507 1.00 0.00 N ATOM 1515 CA GLU B 571 -7.598 -5.735 3.025 1.00 0.00 C ATOM 1516 C GLU B 571 -8.563 -5.413 1.871 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 -7.427 -4.508 3.924 1.00 0.01 C ATOM 1519 CG GLU B 571 -8.707 -4.090 4.632 1.00 1.13 C ATOM 1520 CD GLU B 571 -8.501 -2.912 5.565 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -8.093 -3.136 6.723 1.00 1.97 O ATOM 1522 OE2 GLU B 571 -8.749 -1.765 5.136 1.00 2.47 O ATOM 0 H GLU B 571 -5.511 -5.614 2.810 1.00 0.00 H new ATOM 0 HA GLU B 571 -8.020 -6.547 3.617 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.661 -4.718 4.670 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -7.065 -3.674 3.322 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -9.461 -3.832 3.888 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -9.096 -4.935 5.200 1.00 1.13 H new ATOM 1529 N PHE B 572 -8.130 -4.553 0.952 1.00 0.00 N ATOM 1530 CA PHE B 572 -8.975 -4.133 -0.142 1.00 0.00 C ATOM 1531 C PHE B 572 -9.404 -5.282 -1.087 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.084 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.271 -3.046 -0.960 1.00 0.03 C ATOM 1534 CG PHE B 572 -7.825 -1.860 -0.149 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -8.657 -1.318 0.817 1.00 1.03 C ATOM 1536 CD2 PHE B 572 -6.577 -1.289 -0.349 1.00 1.02 C ATOM 1537 CE1 PHE B 572 -8.256 -0.230 1.567 1.00 1.23 C ATOM 1538 CE2 PHE B 572 -6.170 -0.201 0.398 1.00 1.21 C ATOM 1539 CZ PHE B 572 -6.995 0.335 1.341 1.00 0.99 C ATOM 0 H PHE B 572 -7.198 -4.139 0.951 1.00 0.00 H new ATOM 0 HA PHE B 572 -9.886 -3.749 0.318 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.403 -3.483 -1.453 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.945 -2.703 -1.745 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -9.632 -1.752 0.986 1.00 1.03 H new ATOM 0 HD2 PHE B 572 -5.916 -1.700 -1.098 1.00 1.02 H new ATOM 0 HE1 PHE B 572 -8.910 0.182 2.322 1.00 1.23 H new ATOM 0 HE2 PHE B 572 -5.192 0.227 0.234 1.00 1.21 H new ATOM 0 HZ PHE B 572 -6.677 1.194 1.913 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 -1.781 1.00 0.00 C ATOM 1551 C MET B 573 -10.523 -8.157 -1.304 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 -8.115 -8.669 -1.764 1.00 0.03 C ATOM 1554 CG MET B 573 -6.856 -8.272 -2.518 1.00 0.87 C ATOM 1555 SD MET B 573 -5.712 -9.648 -2.741 1.00 1.42 S ATOM 1556 CE MET B 573 -4.387 -8.848 -3.641 1.00 2.11 C ATOM 0 H MET B 573 -8.086 -6.668 -0.262 1.00 0.00 H new ATOM 0 HA MET B 573 -9.307 -7.240 -2.808 1.00 0.00 H new ATOM 0 HB2 MET B 573 -7.854 -8.896 -0.730 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.518 -9.584 -2.199 1.00 0.03 H new ATOM 0 HG2 MET B 573 -7.133 -7.874 -3.494 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.352 -7.470 -1.978 1.00 0.87 H new ATOM 0 HE1 MET B 573 -3.878 -9.581 -4.266 1.00 2.11 H new ATOM 0 HE2 MET B 573 -4.799 -8.058 -4.270 1.00 2.11 H new ATOM 0 HE3 MET B 573 -3.677 -8.417 -2.936 1.00 2.11 H new ATOM 1566 N HIS B 574 -10.994 -7.608 -0.192 1.00 0.00 N ATOM 1567 CA HIS B 574 -12.310 -7.939 0.328 1.00 0.00 C ATOM 1568 C HIS B 574 -13.278 -6.776 0.172 1.00 0.00 C ATOM 1569 O HIS B 574 -14.434 -6.876 0.562 1.00 0.00 O ATOM 1570 CB HIS B 574 -12.216 -8.369 1.802 1.00 0.02 C ATOM 1571 CG HIS B 574 -12.360 -7.250 2.796 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -12.056 -5.936 2.510 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -12.782 -7.262 4.084 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -12.282 -5.190 3.577 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -12.723 -5.971 4.544 1.00 3.20 N ATOM 0 H HIS B 574 -10.480 -6.928 0.368 1.00 0.00 H new ATOM 0 HA HIS B 574 -12.697 -8.774 -0.255 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -12.988 -9.113 1.999 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -11.255 -8.857 1.963 1.00 0.02 H new ATOM 0 HD2 HIS B 574 -13.105 -8.127 4.644 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -12.131 -4.123 3.646 1.00 3.20 H new ATOM 0 HE2 HIS B 574 -12.979 -5.664 5.483 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.670 -0.387 1.00 0.00 N ATOM 1585 CA GLU B 575 -13.612 -4.499 -0.647 1.00 0.00 C ATOM 1586 C GLU B 575 -14.619 -4.804 -1.744 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 -12.740 -3.309 -1.048 1.00 0.02 C ATOM 1589 CG GLU B 575 -13.515 -2.011 -1.199 1.00 0.96 C ATOM 1590 CD GLU B 575 -14.233 -1.612 0.075 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -15.394 -2.032 0.259 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -13.634 -0.877 0.888 1.00 1.55 O ATOM 0 H GLU B 575 -11.810 -5.564 -0.669 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.151 -4.243 0.265 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -11.960 -3.172 -0.299 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -12.241 -3.536 -1.990 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -12.830 -1.215 -1.491 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -14.242 -2.117 -2.004 1.00 0.96 H new ATOM 1599 N THR B 576 -15.881 -4.491 -1.486 1.00 0.00 N ATOM 1600 CA THR B 576 -16.918 -4.801 -2.451 1.00 0.00 C ATOM 1601 C THR B 576 -17.120 -3.694 -3.487 1.00 0.00 C ATOM 1602 O THR B 576 -17.651 -3.946 -4.570 1.00 0.00 O ATOM 1603 CB THR B 576 -18.262 -5.079 -1.753 1.00 0.00 C ATOM 1604 OG1 THR B 576 -19.298 -5.242 -2.728 1.00 1.33 O ATOM 1605 CG2 THR B 576 -18.626 -3.949 -0.802 1.00 1.40 C ATOM 0 H THR B 576 -16.204 -4.032 -0.634 1.00 0.00 H new ATOM 0 HA THR B 576 -16.576 -5.695 -2.972 1.00 0.00 H new ATOM 0 HB THR B 576 -18.160 -5.998 -1.175 1.00 0.00 H new ATOM 0 HG1 THR B 576 -20.149 -5.420 -2.275 1.00 1.33 H new ATOM 0 HG21 THR B 576 -19.579 -4.170 -0.322 1.00 1.40 H new ATOM 0 HG22 THR B 576 -17.851 -3.850 -0.042 1.00 1.40 H new ATOM 0 HG23 THR B 576 -18.708 -3.016 -1.360 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 -16.952 -1.349 -4.069 1.00 0.00 C ATOM 1615 C HIS B 577 -16.317 -1.546 -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 -16.429 -0.055 -3.446 1.00 0.04 C ATOM 1618 CG HIS B 577 -16.971 0.204 -2.077 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -16.168 0.396 -0.976 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -18.246 0.304 -1.632 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -16.923 0.601 0.088 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -18.189 0.551 -0.284 1.00 2.79 N ATOM 0 H HIS B 577 -16.196 -2.239 -2.316 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.031 -1.289 -4.210 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -15.341 -0.098 -3.396 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -16.686 0.782 -4.095 1.00 0.04 H new ATOM 0 HD2 HIS B 577 -19.142 0.207 -2.228 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -16.566 0.779 1.092 1.00 2.85 H new ATOM 0 HE2 HIS B 577 -18.993 0.676 0.331 1.00 2.79 H new ATOM 1631 N ASP B 578 -17.139 -1.382 -6.485 1.00 0.00 N ATOM 1632 CA ASP B 578 -16.760 -1.695 -7.860 1.00 0.00 C ATOM 1633 C ASP B 578 -15.362 -1.179 -8.233 1.00 0.00 C ATOM 1634 O ASP B 578 -15.060 -0.002 -8.049 1.00 0.00 O ATOM 1635 CB ASP B 578 -17.794 -1.112 -8.826 1.00 0.00 C ATOM 1636 CG ASP B 578 -19.179 -1.685 -8.605 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -19.919 -1.141 -7.760 1.00 2.04 O ATOM 1638 OD2 ASP B 578 -19.523 -2.681 -9.277 1.00 2.15 O ATOM 0 H ASP B 578 -18.091 -1.027 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.731 -2.782 -7.939 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -17.829 -0.029 -8.707 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -17.481 -1.310 -9.851 1.00 0.00 H new ATOM 1643 N GLY B 579 -14.512 -2.082 -8.723 1.00 0.00 N ATOM 1644 CA GLY B 579 -13.191 -1.721 -9.220 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 -2.213 -8.634 1.00 0.00 O ATOM 0 H GLY B 579 -14.722 -3.078 -8.785 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 -9.545 1.00 0.00 H new ATOM 1650 N VAL B 580 -12.298 -1.635 -6.966 1.00 0.00 N ATOM 1651 CA VAL B 580 -11.264 -1.661 -5.944 1.00 0.00 C ATOM 1652 C VAL B 580 -10.473 -2.960 -5.925 1.00 0.00 C ATOM 1653 O VAL B 580 -9.240 -2.942 -5.857 1.00 0.00 O ATOM 1654 CB VAL B 580 -11.863 -1.418 -4.544 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -10.768 -1.372 -3.489 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -12.683 -0.136 -4.524 1.00 1.29 C ATOM 0 H VAL B 580 -13.228 -1.410 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.576 -0.856 -6.202 1.00 0.00 H new ATOM 0 HB VAL B 580 -12.526 -2.251 -4.310 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -11.214 -1.200 -2.509 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -10.230 -2.320 -3.481 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -10.074 -0.563 -3.719 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -13.096 0.016 -3.527 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -12.045 0.708 -4.785 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -13.496 -0.213 -5.246 1.00 1.29 H new ATOM 1666 N GLN B 581 -11.181 -4.086 -5.981 1.00 0.00 N ATOM 1667 CA GLN B 581 -10.528 -5.395 -5.966 1.00 0.00 C ATOM 1668 C GLN B 581 -9.562 -5.580 -7.143 1.00 0.00 C ATOM 1669 O GLN B 581 -8.472 -6.117 -6.986 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.583 -6.503 -5.973 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.604 -6.367 -7.090 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.753 -7.345 -6.950 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -13.593 -8.433 -6.397 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -14.922 -6.961 -7.450 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 -9.937 -5.453 -5.052 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -11.084 -7.467 -6.065 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -12.103 -6.503 -5.015 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -12.996 -5.350 -7.097 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -12.111 -6.526 -8.049 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -15.010 -6.050 -7.900 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -15.732 -7.577 -7.384 1.00 1.99 H new ATOM 1683 N ASP B 582 -9.981 -5.145 -8.322 1.00 0.00 N ATOM 1684 CA ASP B 582 -9.101 -5.107 -9.474 1.00 0.00 C ATOM 1685 C ASP B 582 -7.888 -4.203 -9.244 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 -9.870 -4.631 -10.706 1.00 0.00 C ATOM 1688 CG ASP B 582 -11.039 -5.537 -11.045 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -12.082 -5.437 -10.365 1.00 2.23 O ATOM 1690 OD2 ASP B 582 -10.910 -6.347 -11.987 1.00 1.15 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 -8.734 -6.121 -9.634 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.236 -3.619 -10.533 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -9.192 -4.583 -11.558 1.00 0.00 H new ATOM 1695 N MET B 583 -8.111 -3.035 -8.639 1.00 0.00 N ATOM 1696 CA MET B 583 -7.013 -2.149 -8.291 1.00 0.00 C ATOM 1697 C MET B 583 -6.063 -2.836 -7.326 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 -7.542 -0.853 -7.673 1.00 0.02 C ATOM 1700 CG MET B 583 -8.328 0.009 -8.647 1.00 1.14 C ATOM 1701 SD MET B 583 -7.369 0.455 -10.110 1.00 1.87 S ATOM 1702 CE MET B 583 -5.971 1.288 -9.361 1.00 2.58 C ATOM 0 H MET B 583 -9.036 -2.688 -8.384 1.00 0.00 H new ATOM 0 HA MET B 583 -6.470 -1.903 -9.204 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.179 -1.099 -6.823 1.00 0.02 H new ATOM 0 HB3 MET B 583 -6.702 -0.276 -7.286 1.00 0.02 H new ATOM 0 HG2 MET B 583 -9.227 -0.525 -8.955 1.00 1.14 H new ATOM 0 HG3 MET B 583 -8.655 0.917 -8.141 1.00 1.14 H new ATOM 0 HE1 MET B 583 -5.759 2.207 -9.908 1.00 2.58 H new ATOM 0 HE2 MET B 583 -6.204 1.528 -8.324 1.00 2.58 H new ATOM 0 HE3 MET B 583 -5.098 0.636 -9.395 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.622 -3.418 -6.266 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.815 -4.059 -5.233 1.00 0.00 C ATOM 1714 C ALA B 584 -4.913 -5.144 -5.815 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 -4.154 1.00 0.03 C ATOM 0 H ALA B 584 -7.628 -3.458 -6.102 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.173 -3.297 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.098 -5.119 -3.389 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.303 -3.847 -3.702 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.379 -5.383 -4.596 1.00 0.03 H new ATOM 1722 N CYS B 585 -5.453 -5.953 -6.719 1.00 0.00 N ATOM 1723 CA CYS B 585 -4.675 -7.046 -7.273 1.00 0.00 C ATOM 1724 C CYS B 585 -3.637 -6.556 -8.266 1.00 0.00 C ATOM 1725 O CYS B 585 -2.510 -7.049 -8.286 1.00 0.00 O ATOM 1726 CB CYS B 585 -5.598 -8.059 -7.951 1.00 0.01 C ATOM 1727 SG CYS B 585 -4.739 -9.489 -8.649 1.00 1.50 S ATOM 0 H CYS B 585 -6.405 -5.874 -7.076 1.00 0.00 H new ATOM 0 HA CYS B 585 -4.149 -7.523 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -6.332 -8.408 -7.225 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -6.150 -7.557 -8.746 1.00 0.01 H new ATOM 0 HG CYS B 585 -5.476 -10.550 -8.506 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.026 -5.592 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.141 -5.025 -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 -0.784 -4.635 -9.950 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.896 -3.981 -10.934 1.00 0.01 C ATOM 1738 CG ASP B 586 -3.031 -3.351 -12.007 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -2.628 -4.072 -12.943 1.00 0.87 O ATOM 1740 OD2 ASP B 586 -2.754 -2.137 -11.910 1.00 1.98 O ATOM 0 H ASP B 586 -4.961 -5.185 -9.093 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.812 -5.838 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.763 -4.449 -11.400 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -4.272 -3.202 -10.271 1.00 0.01 H new ATOM 1745 N THR B 587 -2.104 -3.607 -8.433 1.00 0.00 N ATOM 1746 CA THR B 587 -1.033 -3.003 -7.668 1.00 0.00 C ATOM 1747 C THR B 587 -0.171 -4.074 -7.031 1.00 0.00 C ATOM 1748 O THR B 587 1.061 -3.979 -7.011 1.00 0.00 O ATOM 1749 CB THR B 587 -1.579 -2.059 -6.585 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.551 -2.740 -5.783 1.00 1.24 O ATOM 1751 CG2 THR B 587 -2.209 -0.831 -7.224 1.00 1.30 C ATOM 0 H THR B 587 -3.035 -3.371 -8.089 1.00 0.00 H new ATOM 0 HA THR B 587 -0.426 -2.415 -8.357 1.00 0.00 H new ATOM 0 HB THR B 587 -0.751 -1.742 -5.951 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.409 -2.761 -6.256 1.00 1.24 H new ATOM 0 HG21 THR B 587 -2.591 -0.171 -6.445 1.00 1.30 H new ATOM 0 HG22 THR B 587 -1.459 -0.302 -7.812 1.00 1.30 H new ATOM 0 HG23 THR B 587 -3.028 -1.139 -7.873 1.00 1.30 H new ATOM 1759 N PHE B 588 -0.813 -5.108 -6.515 1.00 0.00 N ATOM 1760 CA PHE B 588 -0.096 -6.177 -5.828 1.00 0.00 C ATOM 1761 C PHE B 588 0.883 -6.873 -6.766 1.00 0.00 C ATOM 1762 O PHE B 588 1.940 -7.343 -6.346 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.082 -7.194 -5.249 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.417 -8.347 -4.552 1.00 0.16 C ATOM 1765 CD1 PHE B 588 0.182 -8.175 -3.314 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.387 -9.603 -5.137 1.00 0.45 C ATOM 1767 CE1 PHE B 588 0.796 -9.234 -2.672 1.00 0.49 C ATOM 1768 CE2 PHE B 588 0.226 -10.665 -4.501 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.819 -10.480 -3.267 1.00 0.53 C ATOM 0 H PHE B 588 -1.824 -5.233 -6.556 1.00 0.00 H new ATOM 0 HA PHE B 588 0.472 -5.729 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.743 -6.687 -4.546 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.708 -7.579 -6.054 1.00 0.02 H new ATOM 0 HD1 PHE B 588 0.169 -7.202 -2.845 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -0.848 -9.753 -6.102 1.00 0.45 H new ATOM 0 HE1 PHE B 588 1.257 -9.087 -1.706 1.00 0.49 H new ATOM 0 HE2 PHE B 588 0.242 -11.639 -4.968 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.300 -11.309 -2.768 1.00 0.53 H new ATOM 1779 N ILE B 589 0.547 -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 -7.346 -9.373 1.00 0.00 O ATOM 1783 CB ILE B 589 0.706 -8.167 -10.185 1.00 0.03 C ATOM 1784 CG1 ILE B 589 -0.510 -9.035 -9.838 1.00 1.34 C ATOM 1785 CG2 ILE B 589 1.667 -8.929 -11.090 1.00 1.31 C ATOM 1786 CD1 ILE B 589 -0.170 -10.292 -9.061 1.00 1.97 C ATOM 0 H ILE B 589 -0.275 -6.533 -8.481 1.00 0.00 H new ATOM 0 HA ILE B 589 1.752 -8.582 -8.356 1.00 0.00 H new ATOM 0 HB ILE B 589 0.355 -7.285 -10.721 1.00 0.03 H new ATOM 0 HG12 ILE B 589 -1.214 -8.440 -9.256 1.00 1.34 H new ATOM 0 HG13 ILE B 589 -1.017 -9.317 -10.761 1.00 1.34 H new ATOM 0 HG21 ILE B 589 1.142 -9.252 -11.989 1.00 1.31 H new ATOM 0 HG22 ILE B 589 2.497 -8.280 -11.368 1.00 1.31 H new ATOM 0 HG23 ILE B 589 2.050 -9.801 -10.561 1.00 1.31 H new ATOM 0 HD11 ILE B 589 -1.083 -10.850 -8.855 1.00 1.97 H new ATOM 0 HD12 ILE B 589 0.509 -10.910 -9.648 1.00 1.97 H new ATOM 0 HD13 ILE B 589 0.309 -10.020 -8.120 1.00 1.97 H new ATOM 1798 N LYS B 590 2.395 -5.545 -9.461 1.00 0.00 N ATOM 1799 CA LYS B 590 3.471 -4.610 -9.741 1.00 0.00 C ATOM 1800 C LYS B 590 4.480 -4.704 -8.596 1.00 0.00 C ATOM 1801 O LYS B 590 5.669 -4.884 -8.812 1.00 0.00 O ATOM 1802 CB LYS B 590 2.940 -3.180 -9.869 1.00 0.01 C ATOM 1803 CG LYS B 590 2.166 -2.930 -11.154 1.00 0.99 C ATOM 1804 CD LYS B 590 1.857 -1.451 -11.342 1.00 1.52 C ATOM 1805 CE LYS B 590 0.853 -0.951 -10.316 1.00 2.04 C ATOM 1806 NZ LYS B 590 -0.489 -1.566 -10.511 1.00 2.62 N ATOM 0 H LYS B 590 1.468 -5.121 -9.418 1.00 0.00 H new ATOM 0 HA LYS B 590 3.944 -4.863 -10.690 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.294 -2.964 -9.018 1.00 0.01 H new ATOM 0 HB3 LYS B 590 3.778 -2.484 -9.818 1.00 0.01 H new ATOM 0 HG2 LYS B 590 2.744 -3.293 -12.004 1.00 0.99 H new ATOM 0 HG3 LYS B 590 1.236 -3.497 -11.136 1.00 0.99 H new ATOM 0 HD2 LYS B 590 2.778 -0.874 -11.261 1.00 1.52 H new ATOM 0 HD3 LYS B 590 1.465 -1.286 -12.345 1.00 1.52 H new ATOM 0 HE2 LYS B 590 1.215 -1.178 -9.313 1.00 2.04 H new ATOM 0 HE3 LYS B 590 0.770 0.133 -10.387 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 -1.133 -1.239 -9.762 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 -0.867 -1.287 -11.439 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 -0.406 -2.602 -10.468 1.00 2.62 H new ATOM 1820 N ILE B 591 3.973 -4.618 -7.375 1.00 0.00 N ATOM 1821 CA ILE B 591 4.790 -4.623 -6.164 1.00 0.00 C ATOM 1822 C ILE B 591 5.548 -5.937 -5.968 1.00 0.00 C ATOM 1823 O ILE B 591 6.729 -5.936 -5.631 1.00 0.00 O ATOM 1824 CB ILE B 591 3.934 -4.346 -4.911 1.00 0.04 C ATOM 1825 CG1 ILE B 591 3.283 -2.964 -5.012 1.00 1.27 C ATOM 1826 CG2 ILE B 591 4.783 -4.450 -3.649 1.00 1.28 C ATOM 1827 CD1 ILE B 591 2.331 -2.653 -3.876 1.00 1.96 C ATOM 0 H ILE B 591 2.972 -4.542 -7.192 1.00 0.00 H new ATOM 0 HA ILE B 591 5.520 -3.825 -6.296 1.00 0.00 H new ATOM 0 HB ILE B 591 3.146 -5.097 -4.853 1.00 0.04 H new ATOM 0 HG12 ILE B 591 4.065 -2.205 -5.037 1.00 1.27 H new ATOM 0 HG13 ILE B 591 2.742 -2.895 -5.956 1.00 1.27 H new ATOM 0 HG21 ILE B 591 4.162 -4.251 -2.775 1.00 1.28 H new ATOM 0 HG22 ILE B 591 5.203 -5.453 -3.575 1.00 1.28 H new ATOM 0 HG23 ILE B 591 5.591 -3.720 -3.693 1.00 1.28 H new ATOM 0 HD11 ILE B 591 1.909 -1.658 -4.017 1.00 1.96 H new ATOM 0 HD12 ILE B 591 1.527 -3.389 -3.863 1.00 1.96 H new ATOM 0 HD13 ILE B 591 2.870 -2.688 -2.929 1.00 1.96 H new ATOM 1839 N ALA B 592 4.878 -7.058 -6.187 1.00 0.00 N ATOM 1840 CA ALA B 592 5.545 -8.354 -6.071 1.00 0.00 C ATOM 1841 C ALA B 592 6.653 -8.529 -7.105 1.00 0.00 C ATOM 1842 O ALA B 592 7.695 -9.085 -6.796 1.00 0.00 O ATOM 1843 CB ALA B 592 4.527 -9.477 -6.198 1.00 0.00 C ATOM 0 H ALA B 592 3.891 -7.102 -6.442 1.00 0.00 H new ATOM 0 HA ALA B 592 6.012 -8.393 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.033 -10.438 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.783 -9.385 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.034 -9.413 -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 -8.107 -9.311 1.00 0.00 C ATOM 1851 C GLN B 593 8.701 -7.236 -8.825 1.00 0.00 C ATOM 1852 O GLN B 593 9.755 -7.732 -8.460 1.00 0.00 O ATOM 1853 CB GLN B 593 7.034 -7.620 -10.678 1.00 0.01 C ATOM 1854 CG GLN B 593 8.080 -7.717 -11.779 1.00 1.09 C ATOM 1855 CD GLN B 593 8.501 -9.147 -12.064 1.00 1.64 C ATOM 1856 OE1 GLN B 593 9.640 -9.403 -12.459 1.00 2.36 O ATOM 1857 NE2 GLN B 593 7.585 -10.089 -11.870 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 -9.138 -9.414 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.160 -8.203 -10.968 1.00 0.01 H new ATOM 0 HB3 GLN B 593 6.710 -6.583 -10.589 1.00 0.01 H new ATOM 0 HG2 GLN B 593 7.684 -7.271 -12.691 1.00 1.09 H new ATOM 0 HG3 GLN B 593 8.956 -7.135 -11.494 1.00 1.09 H new ATOM 0 HE21 GLN B 593 6.653 -9.835 -11.542 1.00 2.26 H new ATOM 0 HE22 GLN B 593 7.813 -11.067 -12.049 1.00 2.26 H new ATOM 1866 N LYS B 594 8.487 -5.926 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.502 -4.951 -8.485 1.00 0.00 C ATOM 1868 C LYS B 594 10.150 -5.100 -7.091 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 8.915 -3.544 -8.603 1.00 0.01 C ATOM 1871 CG LYS B 594 8.397 -3.208 -9.992 1.00 0.52 C ATOM 1872 CD LYS B 594 9.524 -3.140 -11.011 1.00 1.21 C ATOM 1873 CE LYS B 594 9.001 -2.802 -12.397 1.00 1.59 C ATOM 1874 NZ LYS B 594 8.020 -3.812 -12.883 1.00 2.19 N ATOM 0 H LYS B 594 7.592 -5.510 -9.095 1.00 0.00 H new ATOM 0 HA LYS B 594 10.309 -5.135 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS B 594 8.100 -3.440 -7.887 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.679 -2.818 -8.325 1.00 0.01 H new ATOM 0 HG2 LYS B 594 7.671 -3.960 -10.302 1.00 0.52 H new ATOM 0 HG3 LYS B 594 7.873 -2.252 -9.964 1.00 0.52 H new ATOM 0 HD2 LYS B 594 10.251 -2.389 -10.702 1.00 1.21 H new ATOM 0 HD3 LYS B 594 10.047 -4.096 -11.041 1.00 1.21 H new ATOM 0 HE2 LYS B 594 8.530 -1.819 -12.377 1.00 1.59 H new ATOM 0 HE3 LYS B 594 9.836 -2.742 -13.095 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 7.867 -3.685 -13.904 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 8.389 -4.768 -12.705 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 7.118 -3.690 -12.380 1.00 2.19 H new ATOM 1888 N CYS B 595 9.477 -5.739 -6.134 1.00 0.00 N ATOM 1889 CA CYS B 595 10.051 -5.877 -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 -7.597 -3.130 1.00 0.00 O ATOM 1892 CB CYS B 595 9.198 -5.107 -3.783 1.00 0.01 C ATOM 1893 SG CYS B 595 9.073 -3.335 -4.123 1.00 1.26 S ATOM 0 H CYS B 595 8.556 -6.161 -6.255 1.00 0.00 H new ATOM 0 HA CYS B 595 11.057 -5.462 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS B 595 8.196 -5.535 -3.769 1.00 0.01 H new ATOM 0 HB3 CYS B 595 9.618 -5.246 -2.787 1.00 0.01 H new ATOM 0 HG CYS B 595 8.330 -2.771 -3.217 1.00 1.26 H new ATOM 1899 N ARG B 596 10.322 -8.220 -5.288 1.00 0.00 N ATOM 1900 CA ARG B 596 10.319 -9.659 -5.026 1.00 0.00 C ATOM 1901 C ARG B 596 11.258 -10.139 -3.902 1.00 0.00 C ATOM 1902 O ARG B 596 10.904 -11.049 -3.147 1.00 0.00 O ATOM 1903 CB ARG B 596 10.655 -10.411 -6.315 1.00 0.01 C ATOM 1904 CG ARG B 596 12.002 -10.034 -6.909 1.00 1.21 C ATOM 1905 CD ARG B 596 12.301 -10.832 -8.167 1.00 1.42 C ATOM 1906 NE ARG B 596 12.306 -12.271 -7.914 1.00 2.09 N ATOM 1907 CZ ARG B 596 12.674 -13.178 -8.815 1.00 2.60 C ATOM 1908 NH1 ARG B 596 13.072 -12.798 -10.021 1.00 2.53 N ATOM 1909 NH2 ARG B 596 12.648 -14.468 -8.507 1.00 3.58 N ATOM 0 H ARG B 596 10.418 -7.979 -6.275 1.00 0.00 H new ATOM 0 HA ARG B 596 9.312 -9.878 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG B 596 10.644 -11.482 -6.114 1.00 0.01 H new ATOM 0 HB3 ARG B 596 9.876 -10.217 -7.052 1.00 0.01 H new ATOM 0 HG2 ARG B 596 12.013 -8.969 -7.142 1.00 1.21 H new ATOM 0 HG3 ARG B 596 12.787 -10.207 -6.172 1.00 1.21 H new ATOM 0 HD2 ARG B 596 11.557 -10.600 -8.929 1.00 1.42 H new ATOM 0 HD3 ARG B 596 13.270 -10.531 -8.566 1.00 1.42 H new ATOM 0 HE ARG B 596 12.011 -12.599 -6.994 1.00 2.09 H new ATOM 0 HH11 ARG B 596 13.097 -11.807 -10.261 1.00 2.53 H new ATOM 0 HH12 ARG B 596 13.353 -13.497 -10.709 1.00 2.53 H new ATOM 0 HH21 ARG B 596 12.346 -14.765 -7.579 1.00 3.58 H new ATOM 0 HH22 ARG B 596 12.930 -15.163 -9.198 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.557 -3.790 1.00 0.00 N ATOM 1924 CA ARG B 597 13.428 -10.039 -2.801 1.00 0.00 C ATOM 1925 C ARG B 597 13.025 -9.745 -1.374 1.00 0.00 C ATOM 1926 O ARG B 597 13.342 -10.504 -0.457 1.00 0.00 O ATOM 1927 CB ARG B 597 14.798 -9.417 -3.076 1.00 0.01 C ATOM 1928 CG ARG B 597 15.414 -9.853 -4.393 1.00 1.27 C ATOM 1929 CD ARG B 597 16.785 -9.228 -4.597 1.00 1.71 C ATOM 1930 NE ARG B 597 17.655 -9.431 -3.441 1.00 2.17 N ATOM 1931 CZ ARG B 597 18.941 -9.090 -3.412 1.00 2.92 C ATOM 1932 NH1 ARG B 597 19.513 -8.550 -4.479 1.00 3.29 N ATOM 1933 NH2 ARG B 597 19.656 -9.293 -2.314 1.00 3.74 N ATOM 0 H ARG B 597 12.766 -8.769 -4.356 1.00 0.00 H new ATOM 0 HA ARG B 597 13.468 -11.123 -2.908 1.00 0.00 H new ATOM 0 HB2 ARG B 597 14.701 -8.331 -3.072 1.00 0.01 H new ATOM 0 HB3 ARG B 597 15.476 -9.679 -2.264 1.00 0.01 H new ATOM 0 HG2 ARG B 597 15.501 -10.939 -4.414 1.00 1.27 H new ATOM 0 HG3 ARG B 597 14.757 -9.570 -5.215 1.00 1.27 H new ATOM 0 HD2 ARG B 597 17.252 -9.659 -5.483 1.00 1.71 H new ATOM 0 HD3 ARG B 597 16.673 -8.160 -4.784 1.00 1.71 H new ATOM 0 HE ARG B 597 17.253 -9.859 -2.607 1.00 2.17 H new ATOM 0 HH11 ARG B 597 18.967 -8.394 -5.326 1.00 3.29 H new ATOM 0 HH12 ARG B 597 20.499 -8.290 -4.452 1.00 3.29 H new ATOM 0 HH21 ARG B 597 19.220 -9.711 -1.492 1.00 3.74 H new ATOM 0 HH22 ARG B 597 20.642 -9.032 -2.292 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 11.991 -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 11.481 -6.692 0.037 1.00 0.02 C ATOM 1952 CG HIS B 598 12.446 -5.762 -0.629 1.00 0.83 C ATOM 1953 ND1 HIS B 598 12.611 -5.700 -1.997 1.00 1.71 N ATOM 1954 CD2 HIS B 598 13.307 -4.856 -0.108 1.00 1.62 C ATOM 1955 CE1 HIS B 598 13.530 -4.798 -2.288 1.00 2.14 C ATOM 1956 NE2 HIS B 598 13.968 -4.270 -1.160 1.00 2.04 N ATOM 0 H HIS B 598 12.004 -8.038 -1.956 1.00 0.00 H new ATOM 0 HA HIS B 598 12.895 -8.163 0.744 1.00 0.00 H new ATOM 0 HB2 HIS B 598 10.541 -6.685 -0.516 1.00 0.02 H new ATOM 0 HB3 HIS B 598 11.264 -6.322 1.039 1.00 0.02 H new ATOM 0 HD2 HIS B 598 13.448 -4.635 0.940 1.00 1.62 H new ATOM 0 HE1 HIS B 598 13.866 -4.536 -3.280 1.00 2.14 H new ATOM 0 HE2 HIS B 598 14.681 -3.545 -1.082 1.00 2.04 H new ATOM 1965 N PHE B 599 10.462 -10.002 0.092 1.00 0.00 N ATOM 1966 CA PHE B 599 9.401 -10.869 0.596 1.00 0.00 C ATOM 1967 C PHE B 599 9.969 -12.221 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 8.306 -11.050 -0.456 1.00 0.06 C ATOM 1970 CG PHE B 599 7.645 -9.766 -0.870 1.00 1.01 C ATOM 1971 CD1 PHE B 599 6.765 -9.118 -0.018 1.00 1.94 C ATOM 1972 CD2 PHE B 599 7.904 -9.207 -2.111 1.00 1.40 C ATOM 1973 CE1 PHE B 599 6.155 -7.937 -0.396 1.00 2.87 C ATOM 1974 CE2 PHE B 599 7.297 -8.026 -2.494 1.00 2.28 C ATOM 1975 CZ PHE B 599 6.421 -7.391 -1.636 1.00 2.95 C ATOM 0 H PHE B 599 10.786 -10.235 -0.846 1.00 0.00 H new ATOM 0 HA PHE B 599 8.964 -10.398 1.476 1.00 0.00 H new ATOM 0 HB2 PHE B 599 8.736 -11.527 -1.337 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.548 -11.728 -0.065 1.00 0.06 H new ATOM 0 HD1 PHE B 599 6.553 -9.541 0.953 1.00 1.94 H new ATOM 0 HD2 PHE B 599 8.588 -9.700 -2.786 1.00 1.40 H new ATOM 0 HE1 PHE B 599 5.471 -7.442 0.278 1.00 2.87 H new ATOM 0 HE2 PHE B 599 7.508 -7.600 -3.464 1.00 2.28 H new ATOM 0 HZ PHE B 599 5.945 -6.469 -1.934 1.00 2.95 H new ATOM 1985 N VAL B 600 11.172 -12.490 0.491 1.00 0.00 N ATOM 1986 CA VAL B 600 11.843 -13.767 0.675 1.00 0.00 C ATOM 1987 C VAL B 600 12.990 -13.655 1.697 1.00 0.00 C ATOM 1988 O VAL B 600 13.376 -14.626 2.345 1.00 0.00 O ATOM 1989 CB VAL B 600 12.411 -14.295 -0.657 1.00 0.01 C ATOM 1990 CG1 VAL B 600 12.935 -15.714 -0.495 1.00 1.42 C ATOM 1991 CG2 VAL B 600 11.355 -14.232 -1.750 1.00 1.42 C ATOM 0 H VAL B 600 11.712 -11.819 -0.055 1.00 0.00 H new ATOM 0 HA VAL B 600 11.095 -14.465 1.051 1.00 0.00 H new ATOM 0 HB VAL B 600 13.245 -13.658 -0.950 1.00 0.01 H new ATOM 0 HG11 VAL B 600 13.331 -16.067 -1.447 1.00 1.42 H new ATOM 0 HG12 VAL B 600 13.727 -15.726 0.254 1.00 1.42 H new ATOM 0 HG13 VAL B 600 12.123 -16.367 -0.176 1.00 1.42 H new ATOM 0 HG21 VAL B 600 11.774 -14.609 -2.683 1.00 1.42 H new ATOM 0 HG22 VAL B 600 10.499 -14.843 -1.464 1.00 1.42 H new ATOM 0 HG23 VAL B 600 11.034 -13.199 -1.887 1.00 1.42 H new ATOM 2001 N GLN B 601 13.523 -12.456 1.865 1.00 0.00 N ATOM 2002 CA GLN B 601 14.551 -12.265 2.867 1.00 0.00 C ATOM 2003 C GLN B 601 13.992 -11.604 4.127 1.00 0.00 C ATOM 2004 O GLN B 601 13.166 -10.691 4.049 1.00 0.00 O ATOM 2005 CB GLN B 601 15.689 -11.416 2.301 1.00 0.01 C ATOM 2006 CG GLN B 601 16.872 -11.279 3.249 1.00 1.31 C ATOM 2007 CD GLN B 601 17.935 -10.331 2.727 1.00 1.73 C ATOM 2008 OE1 GLN B 601 18.630 -9.674 3.503 1.00 2.34 O ATOM 2009 NE2 GLN B 601 18.071 -10.255 1.408 1.00 2.31 N ATOM 0 H GLN B 601 13.268 -11.623 1.335 1.00 0.00 H new ATOM 0 HA GLN B 601 14.932 -13.249 3.141 1.00 0.00 H new ATOM 0 HB2 GLN B 601 16.032 -11.859 1.366 1.00 0.01 H new ATOM 0 HB3 GLN B 601 15.307 -10.423 2.063 1.00 0.01 H new ATOM 0 HG2 GLN B 601 16.518 -10.923 4.216 1.00 1.31 H new ATOM 0 HG3 GLN B 601 17.316 -12.261 3.413 1.00 1.31 H new ATOM 0 HE21 GLN B 601 17.475 -10.817 0.801 1.00 2.31 H new ATOM 0 HE22 GLN B 601 18.772 -9.635 1.002 1.00 2.31 H new ATOM 2018 N VAL B 602 14.445 -12.078 5.289 1.00 0.00 N ATOM 2019 CA VAL B 602 14.009 -11.533 6.566 1.00 0.00 C ATOM 2020 C VAL B 602 14.395 -10.072 6.626 1.00 0.00 C ATOM 2021 O VAL B 602 15.570 -9.735 6.461 1.00 0.00 O ATOM 2022 CB VAL B 602 14.630 -12.287 7.759 1.00 0.01 C ATOM 2023 CG1 VAL B 602 14.008 -13.668 7.895 1.00 1.37 C ATOM 2024 CG2 VAL B 602 16.141 -12.390 7.607 1.00 1.36 C ATOM 0 H VAL B 602 15.117 -12.842 5.367 1.00 0.00 H new ATOM 0 HA VAL B 602 12.928 -11.649 6.638 1.00 0.00 H new ATOM 0 HB VAL B 602 14.420 -11.723 8.668 1.00 0.01 H new ATOM 0 HG11 VAL B 602 14.457 -14.188 8.742 1.00 1.37 H new ATOM 0 HG12 VAL B 602 12.935 -13.569 8.058 1.00 1.37 H new ATOM 0 HG13 VAL B 602 14.186 -14.239 6.983 1.00 1.37 H new ATOM 0 HG21 VAL B 602 16.557 -12.926 8.460 1.00 1.36 H new ATOM 0 HG22 VAL B 602 16.379 -12.929 6.690 1.00 1.36 H new ATOM 0 HG23 VAL B 602 16.571 -11.389 7.562 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 6.860 1.00 0.00 C ATOM 2036 C GLN B 603 13.858 -7.299 8.288 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 12.398 -7.028 6.288 1.00 0.02 C ATOM 2039 CG GLN B 603 12.066 -7.403 4.853 1.00 1.20 C ATOM 2040 CD GLN B 603 10.792 -6.741 4.358 1.00 1.93 C ATOM 2041 OE1 GLN B 603 10.655 -6.442 3.172 1.00 2.58 O ATOM 2042 NE2 GLN B 603 9.849 -6.511 5.265 1.00 2.68 N ATOM 0 H GLN B 603 12.430 -9.488 6.978 1.00 0.00 H new ATOM 0 HA GLN B 603 14.489 -7.532 6.250 1.00 0.00 H new ATOM 0 HB2 GLN B 603 11.532 -7.237 6.917 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.577 -5.954 6.340 1.00 0.02 H new ATOM 0 HG2 GLN B 603 12.895 -7.118 4.205 1.00 1.20 H new ATOM 0 HG3 GLN B 603 11.962 -8.485 4.779 1.00 1.20 H new ATOM 0 HE21 GLN B 603 10.003 -6.774 6.238 1.00 2.68 H new ATOM 0 HE22 GLN B 603 8.971 -6.071 4.988 1.00 2.68 H new ATOM 2051 N VAL B 604 14.324 -6.065 8.465 1.00 0.00 N ATOM 2052 CA VAL B 604 14.676 -5.602 9.809 1.00 0.00 C ATOM 2053 C VAL B 604 13.454 -5.354 10.693 1.00 0.00 C ATOM 2054 O VAL B 604 12.528 -4.652 10.309 1.00 0.00 O ATOM 2055 CB VAL B 604 15.519 -4.313 9.750 1.00 0.01 C ATOM 2056 CG1 VAL B 604 15.997 -3.922 11.140 1.00 1.27 C ATOM 2057 CG2 VAL B 604 16.698 -4.485 8.802 1.00 1.27 C ATOM 0 H VAL B 604 14.465 -5.383 7.720 1.00 0.00 H new ATOM 0 HA VAL B 604 15.258 -6.408 10.255 1.00 0.00 H new ATOM 0 HB VAL B 604 14.890 -3.509 9.367 1.00 0.01 H new ATOM 0 HG11 VAL B 604 16.590 -3.010 11.077 1.00 1.27 H new ATOM 0 HG12 VAL B 604 15.136 -3.751 11.786 1.00 1.27 H new ATOM 0 HG13 VAL B 604 16.608 -4.724 11.554 1.00 1.27 H new ATOM 0 HG21 VAL B 604 17.280 -3.564 8.775 1.00 1.27 H new ATOM 0 HG22 VAL B 604 17.329 -5.303 9.150 1.00 1.27 H new ATOM 0 HG23 VAL B 604 16.330 -4.712 7.801 1.00 1.27 H new ATOM 2067 N GLY B 605 13.475 -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 11.399 -7.022 12.602 1.00 0.00 C ATOM 2070 O GLY B 605 10.309 -7.037 13.157 1.00 0.00 O ATOM 0 H GLY B 605 14.267 -6.460 12.251 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 11.789 -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 11.816 -10.449 11.811 1.00 0.00 C ATOM 2077 O GLU B 606 13.029 -10.432 11.609 1.00 0.00 O ATOM 2078 CB GLU B 606 10.251 -9.207 10.315 1.00 0.02 C ATOM 2079 CG GLU B 606 9.169 -8.147 10.191 1.00 1.16 C ATOM 2080 CD GLU B 606 7.982 -8.417 11.094 1.00 1.64 C ATOM 2081 OE1 GLU B 606 7.082 -9.179 10.681 1.00 1.84 O ATOM 2082 OE2 GLU B 606 7.951 -7.867 12.215 1.00 2.51 O ATOM 0 H GLU B 606 12.641 -7.992 11.235 1.00 0.00 H new ATOM 0 HA GLU B 606 10.225 -9.186 12.464 1.00 0.00 H new ATOM 0 HB2 GLU B 606 10.985 -9.059 9.523 1.00 0.02 H new ATOM 0 HB3 GLU B 606 9.805 -10.189 10.157 1.00 0.02 H new ATOM 0 HG2 GLU B 606 9.591 -7.172 10.434 1.00 1.16 H new ATOM 0 HG3 GLU B 606 8.830 -8.099 9.156 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 11.814 -12.798 12.446 1.00 0.00 C ATOM 2091 C VAL B 607 11.680 -13.796 11.303 1.00 0.00 C ATOM 2092 O VAL B 607 12.486 -14.712 11.186 1.00 0.00 O ATOM 2093 CB VAL B 607 11.264 -13.431 13.739 1.00 0.01 C ATOM 2094 CG1 VAL B 607 12.061 -14.671 14.118 1.00 1.40 C ATOM 2095 CG2 VAL B 607 11.277 -12.416 14.872 1.00 1.40 C ATOM 0 H VAL B 607 10.137 -11.570 12.261 1.00 0.00 H new ATOM 0 HA VAL B 607 12.872 -12.566 12.571 1.00 0.00 H new ATOM 0 HB VAL B 607 10.233 -13.736 13.559 1.00 0.01 H new ATOM 0 HG11 VAL B 607 11.654 -15.100 15.034 1.00 1.40 H new ATOM 0 HG12 VAL B 607 11.997 -15.404 13.314 1.00 1.40 H new ATOM 0 HG13 VAL B 607 13.104 -14.398 14.278 1.00 1.40 H new ATOM 0 HG21 VAL B 607 10.886 -12.878 15.779 1.00 1.40 H new ATOM 0 HG22 VAL B 607 12.299 -12.080 15.048 1.00 1.40 H new ATOM 0 HG23 VAL B 607 10.656 -11.562 14.603 1.00 1.40 H new ATOM 2105 N MET B 608 10.663 -13.622 10.463 1.00 0.00 N ATOM 2106 CA MET B 608 10.375 -14.596 9.410 1.00 0.00 C ATOM 2107 C MET B 608 10.042 -13.937 8.077 1.00 0.00 C ATOM 2108 O MET B 608 9.352 -12.928 8.030 1.00 0.00 O ATOM 2109 CB MET B 608 9.215 -15.496 9.837 1.00 0.01 C ATOM 2110 CG MET B 608 9.488 -16.278 11.113 1.00 1.32 C ATOM 2111 SD MET B 608 8.093 -17.304 11.614 1.00 2.02 S ATOM 2112 CE MET B 608 6.838 -16.058 11.896 1.00 2.68 C ATOM 0 H MET B 608 10.029 -12.824 10.489 1.00 0.00 H new ATOM 0 HA MET B 608 11.280 -15.187 9.266 1.00 0.00 H new ATOM 0 HB2 MET B 608 8.325 -14.884 9.980 1.00 0.01 H new ATOM 0 HB3 MET B 608 8.994 -16.197 9.032 1.00 0.01 H new ATOM 0 HG2 MET B 608 10.364 -16.910 10.966 1.00 1.32 H new ATOM 0 HG3 MET B 608 9.728 -15.582 11.916 1.00 1.32 H new ATOM 0 HE1 MET B 608 6.072 -16.457 12.561 1.00 2.68 H new ATOM 0 HE2 MET B 608 7.294 -15.179 12.353 1.00 2.68 H new ATOM 0 HE3 MET B 608 6.383 -15.778 10.946 1.00 2.68 H new ATOM 2122 N PRO B 609 10.502 -14.539 6.984 1.00 0.00 N ATOM 2123 CA PRO B 609 10.221 -13.995 5.651 1.00 0.00 C ATOM 2124 C PRO B 609 8.719 -13.742 5.433 1.00 0.00 C ATOM 2125 O PRO B 609 7.905 -14.633 5.704 1.00 0.00 O ATOM 2126 CB PRO B 609 10.732 -15.086 4.695 1.00 0.01 C ATOM 2127 CG PRO B 609 10.969 -16.292 5.545 1.00 0.43 C ATOM 2128 CD PRO B 609 11.287 -15.779 6.920 1.00 0.02 C ATOM 0 HA PRO B 609 10.699 -13.027 5.497 1.00 0.00 H new ATOM 0 HB2 PRO B 609 10.001 -15.295 3.914 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.649 -14.772 4.197 1.00 0.01 H new ATOM 0 HG2 PRO B 609 10.089 -16.935 5.563 1.00 0.43 H new ATOM 0 HG3 PRO B 609 11.792 -16.889 5.152 1.00 0.43 H new ATOM 0 HD2 PRO B 609 10.993 -16.486 7.695 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.353 -15.592 7.047 1.00 0.02 H new ATOM 2136 N PHE B 610 8.362 -12.549 4.949 1.00 0.00 N ATOM 2137 CA PHE B 610 6.959 -12.148 4.818 1.00 0.00 C ATOM 2138 C PHE B 610 6.160 -13.136 3.948 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 6.870 -10.740 4.226 1.00 0.01 C ATOM 2141 CG PHE B 610 5.484 -10.159 4.259 1.00 0.79 C ATOM 2142 CD1 PHE B 610 4.935 -9.708 5.449 1.00 0.80 C ATOM 2143 CD2 PHE B 610 4.731 -10.067 3.100 1.00 1.65 C ATOM 2144 CE1 PHE B 610 3.659 -9.176 5.481 1.00 1.48 C ATOM 2145 CE2 PHE B 610 3.454 -9.536 3.127 1.00 2.37 C ATOM 2146 CZ PHE B 610 2.924 -9.077 4.324 1.00 2.25 C ATOM 0 H PHE B 610 9.029 -11.842 4.640 1.00 0.00 H new ATOM 0 HA PHE B 610 6.519 -12.154 5.815 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.544 -10.081 4.774 1.00 0.01 H new ATOM 0 HB3 PHE B 610 7.219 -10.766 3.194 1.00 0.01 H new ATOM 0 HD1 PHE B 610 5.510 -9.773 6.361 1.00 0.80 H new ATOM 0 HD2 PHE B 610 5.146 -10.414 2.165 1.00 1.65 H new ATOM 0 HE1 PHE B 610 3.239 -8.838 6.417 1.00 1.48 H new ATOM 0 HE2 PHE B 610 2.872 -9.479 2.219 1.00 2.37 H new ATOM 0 HZ PHE B 610 1.935 -8.643 4.347 1.00 2.25 H new ATOM 2156 N ILE B 611 6.821 -13.748 2.965 1.00 0.00 N ATOM 2157 CA ILE B 611 6.180 -14.734 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.443 -15.793 2.936 1.00 0.00 C ATOM 2159 O ILE B 611 4.299 -16.151 2.638 1.00 0.00 O ATOM 2160 CB ILE B 611 7.204 -15.427 1.173 1.00 0.02 C ATOM 2161 CG1 ILE B 611 6.526 -16.511 0.326 1.00 1.20 C ATOM 2162 CG2 ILE B 611 8.346 -16.017 1.987 1.00 1.20 C ATOM 2163 CD1 ILE B 611 5.456 -15.978 -0.604 1.00 1.84 C ATOM 0 H ILE B 611 7.803 -13.577 2.750 1.00 0.00 H new ATOM 0 HA ILE B 611 5.461 -14.201 1.476 1.00 0.00 H new ATOM 0 HB ILE B 611 7.616 -14.677 0.498 1.00 0.02 H new ATOM 0 HG12 ILE B 611 7.284 -17.025 -0.264 1.00 1.20 H new ATOM 0 HG13 ILE B 611 6.081 -17.253 0.990 1.00 1.20 H new ATOM 0 HG21 ILE B 611 9.057 -16.501 1.318 1.00 1.20 H new ATOM 0 HG22 ILE B 611 8.849 -15.222 2.538 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.951 -16.751 2.689 1.00 1.20 H new ATOM 0 HD11 ILE B 611 5.022 -16.802 -1.170 1.00 1.84 H new ATOM 0 HD12 ILE B 611 4.677 -15.489 -0.020 1.00 1.84 H new ATOM 0 HD13 ILE B 611 5.898 -15.258 -1.293 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 4.185 -16.838 5.439 1.00 0.00 C ATOM 2178 O ASP B 612 3.240 -17.629 5.394 1.00 0.00 O ATOM 2179 CB ASP B 612 6.521 -17.423 6.096 1.00 0.01 C ATOM 2180 CG ASP B 612 5.968 -18.366 7.147 1.00 1.14 C ATOM 2181 OD1 ASP B 612 6.177 -19.590 7.014 1.00 1.26 O ATOM 2182 OD2 ASP B 612 5.325 -17.880 8.101 1.00 2.15 O ATOM 0 H ASP B 612 7.067 -15.985 4.206 1.00 0.00 H new ATOM 0 HA ASP B 612 5.447 -18.170 4.373 1.00 0.00 H new ATOM 0 HB2 ASP B 612 7.472 -17.810 5.729 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.726 -16.455 6.553 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.620 5.948 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 1.739 -15.176 5.355 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 2.911 -13.737 7.023 1.00 0.01 C ATOM 2192 CG GLU B 613 3.811 -13.641 8.243 1.00 1.17 C ATOM 2193 CD GLU B 613 3.879 -12.234 8.807 1.00 1.82 C ATOM 2194 OE1 GLU B 613 3.034 -11.896 9.662 1.00 2.11 O ATOM 2195 OE2 GLU B 613 4.777 -11.471 8.394 1.00 2.66 O ATOM 0 H GLU B 613 4.827 -14.945 6.019 1.00 0.00 H new ATOM 0 HA GLU B 613 2.465 -15.823 7.259 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.299 -13.080 6.245 1.00 0.01 H new ATOM 0 HB3 GLU B 613 1.919 -13.369 7.285 1.00 0.01 H new ATOM 0 HG2 GLU B 613 3.446 -14.320 9.014 1.00 1.17 H new ATOM 0 HG3 GLU B 613 4.815 -13.971 7.976 1.00 1.17 H new ATOM 2202 N ILE B 614 2.169 -14.839 4.143 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 0.745 -16.286 2.700 1.00 0.00 C ATOM 2205 O ILE B 614 -0.444 -16.498 2.536 1.00 0.00 O ATOM 2206 CB ILE B 614 1.915 -14.283 1.743 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.472 -12.884 2.016 1.00 1.10 C ATOM 2208 CG2 ILE B 614 0.916 -14.249 0.595 1.00 1.11 C ATOM 2209 CD1 ILE B 614 3.271 -12.315 0.861 1.00 1.76 C ATOM 0 H ILE B 614 3.124 -14.557 3.923 1.00 0.00 H new ATOM 0 HA ILE B 614 0.407 -14.231 3.296 1.00 0.00 H new ATOM 0 HB ILE B 614 2.744 -14.931 1.459 1.00 0.05 H new ATOM 0 HG12 ILE B 614 1.645 -12.210 2.242 1.00 1.10 H new ATOM 0 HG13 ILE B 614 3.105 -12.920 2.902 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.397 -13.842 -0.294 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.566 -15.260 0.387 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.069 -13.621 0.869 1.00 1.11 H new ATOM 0 HD11 ILE B 614 3.635 -11.322 1.125 1.00 1.76 H new ATOM 0 HD12 ILE B 614 4.118 -12.967 0.648 1.00 1.76 H new ATOM 0 HD13 ILE B 614 2.636 -12.246 -0.022 1.00 1.76 H new ATOM 2221 N LEU B 615 1.669 -17.239 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.306 1.00 0.00 C ATOM 2223 C LEU B 615 0.437 -19.288 3.325 1.00 0.00 C ATOM 2224 O LEU B 615 -0.354 -20.159 2.977 1.00 0.00 O ATOM 2225 CB LEU B 615 2.643 -19.446 2.180 1.00 0.01 C ATOM 2226 CG LEU B 615 3.630 -18.943 1.124 1.00 1.09 C ATOM 2227 CD1 LEU B 615 4.918 -19.749 1.175 1.00 1.70 C ATOM 2228 CD2 LEU B 615 3.011 -19.014 -0.264 1.00 1.84 C ATOM 0 H LEU B 615 2.660 -17.070 2.806 1.00 0.00 H new ATOM 0 HA LEU B 615 0.824 -18.614 1.354 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.144 -19.456 3.148 1.00 0.01 H new ATOM 0 HB3 LEU B 615 2.380 -20.478 1.947 1.00 0.01 H new ATOM 0 HG LEU B 615 3.865 -17.901 1.341 1.00 1.09 H new ATOM 0 HD11 LEU B 615 5.609 -19.379 0.418 1.00 1.70 H new ATOM 0 HD12 LEU B 615 5.372 -19.648 2.161 1.00 1.70 H new ATOM 0 HD13 LEU B 615 4.698 -20.799 0.983 1.00 1.70 H new ATOM 0 HD21 LEU B 615 3.728 -18.652 -1.001 1.00 1.84 H new ATOM 0 HD22 LEU B 615 2.746 -20.046 -0.492 1.00 1.84 H new ATOM 0 HD23 LEU B 615 2.115 -18.394 -0.295 1.00 1.84 H new ATOM 2240 N ASN B 616 0.544 -18.867 4.582 1.00 0.00 N ATOM 2241 CA ASN B 616 -0.278 -19.434 5.645 1.00 0.00 C ATOM 2242 C ASN B 616 -1.712 -18.884 5.706 1.00 0.00 C ATOM 2243 O ASN B 616 -2.500 -19.270 6.569 1.00 0.00 O ATOM 2244 CB ASN B 616 0.412 -19.274 7.005 1.00 0.02 C ATOM 2245 CG ASN B 616 0.451 -17.843 7.503 1.00 1.19 C ATOM 2246 OD1 ASN B 616 -0.460 -17.056 7.257 1.00 2.06 O ATOM 2247 ND2 ASN B 616 1.512 -17.500 8.225 1.00 1.95 N ATOM 0 H ASN B 616 1.189 -18.138 4.888 1.00 0.00 H new ATOM 0 HA ASN B 616 -0.378 -20.491 5.399 1.00 0.00 H new ATOM 0 HB2 ASN B 616 -0.105 -19.891 7.740 1.00 0.02 H new ATOM 0 HB3 ASN B 616 1.432 -19.652 6.932 1.00 0.02 H new ATOM 0 HD21 ASN B 616 1.591 -16.554 8.597 1.00 1.95 H new ATOM 0 HD22 ASN B 616 2.247 -18.183 8.407 1.00 1.95 H new ATOM 2254 N ASN B 617 -2.039 -18.006 4.771 1.00 0.00 N ATOM 2255 CA ASN B 617 -3.313 -17.302 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 3.169 1.00 0.00 O ATOM 2258 CB ASN B 617 -3.170 -15.938 5.440 1.00 0.03 C ATOM 2259 CG ASN B 617 -3.049 -16.046 6.948 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -3.566 -16.981 7.560 1.00 1.96 O ATOM 2261 ND2 ASN B 617 -2.367 -15.083 7.555 1.00 1.97 N ATOM 0 H ASN B 617 -1.426 -17.760 3.994 1.00 0.00 H new ATOM 0 HA ASN B 617 -4.013 -17.929 5.314 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -2.291 -15.430 5.044 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -4.033 -15.321 5.192 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -2.254 -15.099 8.569 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -1.955 -14.327 7.008 1.00 1.97 H new ATOM 2268 N ILE B 618 -3.358 -17.845 2.396 1.00 0.00 N ATOM 2269 CA ILE B 618 -3.823 -17.637 1.025 1.00 0.00 C ATOM 2270 C ILE B 618 -5.340 -17.584 0.990 1.00 0.00 C ATOM 2271 O ILE B 618 -5.922 -16.677 0.394 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.314 -18.744 0.078 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -3.918 -18.581 -1.321 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -3.635 -20.119 0.644 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -3.510 -17.297 -2.013 1.00 2.01 C ATOM 0 H ILE B 618 -2.644 -18.563 2.517 1.00 0.00 H new ATOM 0 HA ILE B 618 -3.418 -16.686 0.678 1.00 0.00 H new ATOM 0 HB ILE B 618 -2.231 -18.651 -0.006 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -3.617 -19.428 -1.938 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -5.005 -18.613 -1.244 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -3.269 -20.887 -0.037 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -3.153 -20.235 1.615 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -4.714 -20.222 0.760 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -3.975 -17.251 -2.998 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -3.835 -16.444 -1.418 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -2.426 -17.271 -2.122 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 -7.421 -18.616 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.120 -17.401 2.222 1.00 0.00 C ATOM 2290 O ASN B 619 -8.976 -16.784 1.588 1.00 0.00 O ATOM 2291 CB ASN B 619 -7.892 -19.881 2.335 1.00 0.01 C ATOM 2292 CG ASN B 619 -9.345 -20.209 2.042 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -10.161 -19.319 1.805 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -9.674 -21.496 2.056 1.00 2.18 N ATOM 0 H ASN B 619 -5.519 -19.253 2.224 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.695 -18.643 0.563 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -7.266 -20.720 2.033 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -7.761 -19.756 3.410 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -10.635 -21.779 1.865 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -8.965 -22.201 2.257 1.00 2.18 H new ATOM 2301 N THR B 620 -7.735 -17.028 3.435 1.00 0.00 N ATOM 2302 CA THR B 620 -8.360 -15.874 4.060 1.00 0.00 C ATOM 2303 C THR B 620 -8.211 -14.641 3.184 1.00 0.00 C ATOM 2304 O THR B 620 -9.098 -13.802 3.161 1.00 0.00 O ATOM 2305 CB THR B 620 -7.753 -15.583 5.445 1.00 0.02 C ATOM 2306 OG1 THR B 620 -6.369 -15.239 5.311 1.00 1.27 O ATOM 2307 CG2 THR B 620 -7.893 -16.789 6.360 1.00 1.32 C ATOM 0 H THR B 620 -7.016 -17.492 3.990 1.00 0.00 H new ATOM 0 HA THR B 620 -9.417 -16.111 4.183 1.00 0.00 H new ATOM 0 HB THR B 620 -8.294 -14.746 5.886 1.00 0.02 H new ATOM 0 HG1 THR B 620 -6.028 -15.582 4.459 1.00 1.27 H new ATOM 0 HG21 THR B 620 -7.457 -16.560 7.333 1.00 1.32 H new ATOM 0 HG22 THR B 620 -8.948 -17.032 6.483 1.00 1.32 H new ATOM 0 HG23 THR B 620 -7.374 -17.641 5.921 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.109 -14.545 2.430 1.00 0.00 N ATOM 2316 CA ILE B 621 -6.884 -13.378 1.578 1.00 0.00 C ATOM 2317 C ILE B 621 -7.647 -13.376 0.259 1.00 0.00 C ATOM 2318 O ILE B 621 -8.174 -12.335 -0.140 1.00 0.00 O ATOM 2319 CB ILE B 621 -5.366 -13.182 1.315 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -4.998 -11.697 1.372 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -4.938 -13.782 -0.019 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -5.728 -10.844 0.356 1.00 2.00 C ATOM 0 H ILE B 621 -6.373 -15.250 2.394 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.288 -12.539 2.144 1.00 0.00 H new ATOM 0 HB ILE B 621 -4.829 -13.712 2.102 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -5.212 -11.318 2.371 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -3.924 -11.593 1.215 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -3.869 -13.623 -0.163 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -5.149 -14.851 -0.021 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -5.489 -13.302 -0.828 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -5.413 -9.806 0.460 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -5.494 -11.195 -0.649 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -6.802 -10.916 0.525 1.00 2.00 H new ATOM 2334 N ILE B 622 -7.707 -14.515 -0.433 1.00 0.00 N ATOM 2335 CA ILE B 622 -8.391 -14.530 -1.731 1.00 0.00 C ATOM 2336 C ILE B 622 -9.901 -14.805 -1.667 1.00 0.00 C ATOM 2337 O ILE B 622 -10.587 -14.711 -2.678 1.00 0.00 O ATOM 2338 CB ILE B 622 -7.752 -15.565 -2.677 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -7.896 -16.978 -2.099 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -6.288 -15.226 -2.918 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -7.347 -18.065 -2.998 1.00 2.09 C ATOM 0 H ILE B 622 -7.309 -15.406 -0.135 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.268 -13.515 -2.108 1.00 0.00 H new ATOM 0 HB ILE B 622 -8.273 -15.534 -3.634 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -7.384 -17.021 -1.138 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -8.951 -17.176 -1.907 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -5.849 -15.965 -3.588 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -6.213 -14.237 -3.370 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -5.752 -15.233 -1.969 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -7.485 -19.036 -2.521 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -7.876 -18.050 -3.951 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -6.284 -17.893 -3.170 1.00 2.09 H new ATOM 2353 N CYS B 623 -10.384 -15.123 -0.471 1.00 0.00 N ATOM 2354 CA CYS B 623 -11.812 -15.424 -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 -13.596 -15.691 -1.775 1.00 0.00 O ATOM 2357 CB CYS B 623 -12.195 -14.883 1.171 1.00 0.01 C ATOM 2358 SG CYS B 623 -13.915 -15.198 1.631 1.00 1.47 S ATOM 0 H CYS B 623 -9.798 -15.183 0.362 1.00 0.00 H new ATOM 0 HA CYS B 623 -11.875 -16.511 -0.265 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -11.541 -15.330 1.920 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -12.015 -13.808 1.191 1.00 0.01 H new ATOM 0 HG CYS B 623 -14.146 -14.706 2.812 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.612 -1.404 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.836 -12.879 -2.056 1.00 0.00 C ATOM 2366 C ASP B 624 -13.489 -12.596 -3.497 1.00 0.00 C ATOM 2367 O ASP B 624 -14.323 -12.082 -4.247 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.106 -11.566 -1.318 1.00 0.01 C ATOM 2369 CG ASP B 624 -14.577 -11.786 0.107 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -13.717 -11.919 1.003 1.00 2.07 O ATOM 2371 OD2 ASP B 624 -15.806 -11.824 0.326 1.00 1.01 O ATOM 0 H ASP B 624 -12.004 -13.024 -1.097 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.736 -13.494 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -13.197 -10.965 -1.308 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -14.859 -10.996 -1.862 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.251 -12.908 -3.883 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.756 -12.555 -5.212 1.00 0.00 C ATOM 2378 C LEU B 625 -12.403 -13.418 -6.307 1.00 0.00 C ATOM 2379 O LEU B 625 -12.734 -14.584 -6.068 1.00 0.00 O ATOM 2380 CB LEU B 625 -10.235 -12.704 -5.262 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.464 -11.802 -4.297 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -7.970 -12.059 -4.407 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -9.776 -10.337 -4.569 1.00 1.67 C ATOM 0 H LEU B 625 -11.577 -13.401 -3.297 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.027 -11.516 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.980 -13.742 -5.048 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.898 -12.496 -6.278 1.00 0.06 H new ATOM 0 HG LEU B 625 -9.780 -12.037 -3.280 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -7.437 -11.409 -3.713 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -7.761 -13.100 -4.162 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -7.639 -11.853 -5.425 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -9.218 -9.711 -3.873 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -9.490 -10.088 -5.591 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -10.844 -10.162 -4.439 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.604 -12.839 -7.493 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.107 -13.584 -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 -13.666 -12.629 -9.707 1.00 0.01 C ATOM 2400 CG GLN B 626 -15.024 -12.043 -9.349 1.00 0.94 C ATOM 2401 CD GLN B 626 -14.928 -10.813 -8.466 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -13.991 -10.664 -7.685 1.00 2.35 O ATOM 2403 NE2 GLN B 626 -15.906 -9.922 -8.587 1.00 2.33 N ATOM 0 H GLN B 626 -12.425 -11.852 -7.679 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.919 -14.239 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -12.958 -11.815 -9.859 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -13.748 -13.161 -10.655 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -15.554 -11.784 -10.265 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -15.618 -12.802 -8.840 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -16.665 -10.085 -9.248 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -15.897 -9.075 -8.019 1.00 2.33 H new ATOM 2412 N PRO B 627 -12.303 -15.427 -10.033 1.00 0.00 N ATOM 2413 CA PRO B 627 -11.276 -16.305 -10.609 1.00 0.00 C ATOM 2414 C PRO B 627 -10.075 -15.601 -11.241 1.00 0.00 C ATOM 2415 O PRO B 627 -8.930 -16.023 -11.066 1.00 0.00 O ATOM 2416 CB PRO B 627 -12.052 -17.073 -11.681 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.456 -17.105 -11.184 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.667 -15.812 -10.445 1.00 0.01 C ATOM 0 HA PRO B 627 -10.819 -16.909 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.986 -16.576 -12.649 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -11.655 -18.080 -11.812 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -14.160 -17.201 -12.011 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -13.618 -17.960 -10.527 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.123 -15.055 -11.083 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.324 -15.943 -9.586 1.00 0.01 H new ATOM 2426 N GLN B 628 -10.335 -14.548 -12.003 1.00 0.00 N ATOM 2427 CA GLN B 628 -9.275 -13.892 -12.732 1.00 0.00 C ATOM 2428 C GLN B 628 -8.314 -13.216 -11.746 1.00 0.00 C ATOM 2429 O GLN B 628 -7.088 -13.318 -11.879 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.850 -12.856 -13.702 1.00 0.01 C ATOM 2431 CG GLN B 628 -10.822 -13.444 -14.712 1.00 1.30 C ATOM 2432 CD GLN B 628 -11.349 -12.408 -15.686 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -11.469 -11.230 -15.352 1.00 2.62 O ATOM 2434 NE2 GLN B 628 -11.668 -12.844 -16.899 1.00 2.58 N ATOM 0 H GLN B 628 -11.261 -14.139 -12.128 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.731 -14.638 -13.311 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -10.358 -12.078 -13.131 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -9.030 -12.376 -14.236 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -10.326 -14.240 -15.267 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -11.659 -13.899 -14.183 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -11.552 -13.830 -17.133 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -12.029 -12.193 -17.596 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.881 -12.562 -10.738 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.097 -11.895 -9.708 1.00 0.00 C ATOM 2445 C GLN B 629 -7.270 -12.898 -8.925 1.00 0.00 C ATOM 2446 O GLN B 629 -6.118 -12.628 -8.558 1.00 0.00 O ATOM 2447 CB GLN B 629 -9.022 -11.124 -8.766 1.00 0.01 C ATOM 2448 CG GLN B 629 -9.927 -10.135 -9.483 1.00 0.49 C ATOM 2449 CD GLN B 629 -10.971 -9.525 -8.568 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -10.747 -9.366 -7.369 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -12.122 -9.181 -9.132 1.00 2.06 N ATOM 0 H GLN B 629 -9.890 -12.480 -10.613 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.416 -11.195 -10.192 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -9.638 -11.833 -8.213 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.418 -10.588 -8.034 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -9.319 -9.340 -9.914 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -10.426 -10.640 -10.311 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -12.265 -9.331 -10.131 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -12.863 -8.767 -8.567 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 -5.862 -15.525 -8.767 1.00 0.00 C ATOM 2463 O VAL B 630 -5.922 -15.510 -10.014 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.956 -16.399 -7.673 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -9.403 -16.044 -7.388 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -7.856 -17.425 -8.794 1.00 1.30 C ATOM 2467 OXT VAL B 630 -4.834 -15.839 -8.130 1.00 1.10 O ATOM 0 H VAL B 630 -8.806 -14.304 -8.913 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.829 -14.710 -7.010 1.00 0.00 H new ATOM 0 HB VAL B 630 -7.540 -16.854 -6.774 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -9.967 -16.954 -7.181 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -9.452 -15.382 -6.523 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -9.832 -15.541 -8.255 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -8.462 -18.296 -8.545 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -8.218 -16.985 -9.723 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -6.817 -17.729 -8.917 1.00 1.30 H new