USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1058 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 585 CYS SG : rot -23:sc= -1.13 USER MOD Set 1.2: B 629 GLN : amide:sc= -1.26 K(o=-2.4,f=-0.23) USER MOD Set 2.1: B 505 SER OG : rot 28:sc= 0.379 USER MOD Set 2.2: B 550 GLN : amide:sc= -0.23 X(o=0.15,f=0.22) 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+ 168:sc= -0.0266 (180deg=-0.181) USER MOD Single : B 519 THR OG1 : rot -7:sc= 0.94 USER MOD Single : B 522 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0853) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 534 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.0071) USER MOD Single : B 537 LYS NZ :NH3+ -166:sc= -0.0264 (180deg=-0.219) USER MOD Single : B 542 SER OG : rot -34:sc= 1.25 USER MOD Single : B 543 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.0051) USER MOD Single : B 545 MET CE :methyl -174:sc= -1.48 (180deg=-1.64) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 HIS : no HE2:sc= 0 X(o=0,f=-0.056) USER MOD Single : B 560 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0708) USER MOD Single : B 563 LYS NZ :NH3+ -162:sc= 0.556 (180deg=0.429) USER MOD Single : B 564 THR OG1 : rot 2:sc= 0.298 USER MOD Single : B 567 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : B 568 LYS NZ :NH3+ -158:sc= -0.351 (180deg=-1.21) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.4) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 577 HIS : no HD1:sc= -0.13 K(o=-0.13,f=-1) USER MOD Single : B 581 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.0086) USER MOD Single : B 583 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 587 THR OG1 : rot -80:sc= -0.0245 USER MOD Single : B 590 LYS NZ :NH3+ 175:sc= 0.198 (180deg=0.172) USER MOD Single : B 593 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.17) USER MOD Single : B 594 LYS NZ :NH3+ -166:sc= -0.0379 (180deg=-0.302) USER MOD Single : B 595 CYS SG : rot -58:sc= -2.04 USER MOD Single : B 598 HIS : no HE2:sc= -0.587 K(o=-0.59,f=-3.8!) USER MOD Single : B 601 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.16) USER MOD Single : B 603 GLN : amide:sc= -4.6! C(o=-4.6!,f=-3.6!) USER MOD Single : B 608 MET CE :methyl -169:sc= -0.104 (180deg=-0.35) USER MOD Single : B 616 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 617 ASN : amide:sc= -4.23! C(o=-4.2!,f=-4.5!) USER MOD Single : B 619 ASN : amide:sc= -3.32! K(o=-3.3!,f=-1.9) USER MOD Single : B 620 THR OG1 : rot -11:sc= 0.263 USER MOD Single : B 623 CYS SG : rot 17:sc= 0.356 USER MOD Single : B 626 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 628 GLN : amide:sc= -4.59! K(o=-4.6!,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 382 N ILE B 504 6.402 10.438 -13.692 1.00 0.00 N ATOM 383 CA ILE B 504 7.761 10.964 -13.586 1.00 0.00 C ATOM 384 C ILE B 504 8.640 10.157 -12.645 1.00 0.00 C ATOM 385 O ILE B 504 9.749 10.580 -12.299 1.00 0.00 O ATOM 386 CB ILE B 504 7.762 12.442 -13.130 1.00 0.03 C ATOM 387 CG1 ILE B 504 7.391 12.569 -11.643 1.00 1.30 C ATOM 388 CG2 ILE B 504 6.818 13.263 -13.995 1.00 1.33 C ATOM 389 CD1 ILE B 504 5.973 12.148 -11.312 1.00 2.13 C ATOM 0 HA ILE B 504 8.180 10.887 -14.589 1.00 0.00 H new ATOM 0 HB ILE B 504 8.772 12.832 -13.251 1.00 0.03 H new ATOM 0 HG12 ILE B 504 8.083 11.965 -11.056 1.00 1.30 H new ATOM 0 HG13 ILE B 504 7.531 13.605 -11.334 1.00 1.30 H new ATOM 0 HG21 ILE B 504 6.829 14.301 -13.662 1.00 1.33 H new ATOM 0 HG22 ILE B 504 7.140 13.212 -15.035 1.00 1.33 H new ATOM 0 HG23 ILE B 504 5.807 12.865 -13.909 1.00 1.33 H new ATOM 0 HD11 ILE B 504 5.797 12.270 -10.243 1.00 2.13 H new ATOM 0 HD12 ILE B 504 5.270 12.768 -11.868 1.00 2.13 H new ATOM 0 HD13 ILE B 504 5.830 11.103 -11.586 1.00 2.13 H new ATOM 403 N SER B 505 8.155 8.985 -12.248 1.00 0.00 N ATOM 404 CA SER B 505 8.935 8.045 -11.436 1.00 0.00 C ATOM 405 C SER B 505 10.342 7.806 -12.001 1.00 0.00 C ATOM 406 O SER B 505 10.503 7.338 -13.130 1.00 0.00 O ATOM 407 CB SER B 505 8.196 6.712 -11.325 1.00 0.00 C ATOM 408 OG SER B 505 7.988 6.136 -12.604 1.00 1.29 O ATOM 0 H SER B 505 7.216 8.657 -12.476 1.00 0.00 H new ATOM 0 HA SER B 505 9.050 8.495 -10.450 1.00 0.00 H new ATOM 0 HB2 SER B 505 8.770 6.025 -10.702 1.00 0.00 H new ATOM 0 HB3 SER B 505 7.236 6.865 -10.831 1.00 0.00 H new ATOM 0 HG SER B 505 8.698 6.427 -13.213 1.00 1.29 H new ATOM 414 N GLY B 506 11.359 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 11.259 8.525 -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 -12.175 1.00 0.00 O ATOM 425 CB ALA B 507 12.026 12.257 -13.761 1.00 0.02 C ATOM 0 H ALA B 507 11.604 10.355 -12.084 1.00 0.00 H new ATOM 0 HA ALA B 507 13.935 11.278 -13.610 1.00 0.00 H new ATOM 0 HB1 ALA B 507 12.430 13.181 -14.174 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.693 11.612 -14.574 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.181 12.488 -13.112 1.00 0.02 H new ATOM 431 N MET B 508 13.447 12.127 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.016 12.840 -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 15.078 10.780 -8.820 1.00 0.00 O ATOM 435 CB MET B 508 12.903 13.258 -8.501 1.00 0.01 C ATOM 436 CG MET B 508 11.805 14.080 -9.158 1.00 0.47 C ATOM 437 SD MET B 508 10.553 14.630 -7.984 1.00 1.65 S ATOM 438 CE MET B 508 9.393 15.443 -9.083 1.00 2.21 C ATOM 0 H MET B 508 12.870 11.327 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.522 13.722 -9.858 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.462 12.364 -8.060 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.339 13.835 -7.685 1.00 0.01 H new ATOM 0 HG2 MET B 508 12.248 14.949 -9.644 1.00 0.47 H new ATOM 0 HG3 MET B 508 11.330 13.486 -9.939 1.00 0.47 H new ATOM 0 HE1 MET B 508 8.558 15.838 -8.504 1.00 2.21 H new ATOM 0 HE2 MET B 508 9.894 16.261 -9.601 1.00 2.21 H new ATOM 0 HE3 MET B 508 9.020 14.725 -9.814 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 16.164 11.350 -5.920 1.00 0.00 C ATOM 451 O HIS B 509 15.268 11.945 -5.318 1.00 0.00 O ATOM 452 CB HIS B 509 17.897 13.055 -6.543 1.00 0.00 C ATOM 453 CG HIS B 509 18.617 13.805 -7.620 1.00 1.05 C ATOM 454 ND1 HIS B 509 18.416 15.147 -7.866 1.00 2.01 N ATOM 455 CD2 HIS B 509 19.545 13.395 -8.517 1.00 1.87 C ATOM 456 CE1 HIS B 509 19.187 15.529 -8.869 1.00 2.67 C ATOM 457 NE2 HIS B 509 19.882 14.486 -9.281 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 11.289 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS B 509 17.374 13.766 -5.903 1.00 0.00 H new ATOM 0 HB3 HIS B 509 18.628 12.541 -5.918 1.00 0.00 H new ATOM 0 HD2 HIS B 509 19.945 12.397 -8.614 1.00 1.87 H new ATOM 0 HE1 HIS B 509 19.239 16.526 -9.281 1.00 2.67 H new ATOM 0 HE2 HIS B 509 20.560 14.489 -10.043 1.00 2.55 H new ATOM 466 N GLU B 510 16.541 10.104 -5.621 1.00 0.00 N ATOM 467 CA GLU B 510 15.835 9.284 -4.639 1.00 0.00 C ATOM 468 C GLU B 510 15.424 10.058 -3.386 1.00 0.00 C ATOM 469 O GLU B 510 14.346 9.831 -2.815 1.00 0.00 O ATOM 470 CB GLU B 510 16.699 8.086 -4.241 1.00 0.01 C ATOM 471 CG GLU B 510 18.020 8.473 -3.597 1.00 1.38 C ATOM 472 CD GLU B 510 18.863 7.269 -3.226 1.00 2.04 C ATOM 473 OE1 GLU B 510 18.632 6.694 -2.141 1.00 2.66 O ATOM 474 OE2 GLU B 510 19.754 6.902 -4.018 1.00 2.52 O ATOM 0 H GLU B 510 17.340 9.639 -6.052 1.00 0.00 H new ATOM 0 HA GLU B 510 14.916 8.949 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU B 510 16.138 7.458 -3.549 1.00 0.01 H new ATOM 0 HB3 GLU B 510 16.899 7.483 -5.127 1.00 0.01 H new ATOM 0 HG2 GLU B 510 18.582 9.108 -4.282 1.00 1.38 H new ATOM 0 HG3 GLU B 510 17.824 9.064 -2.703 1.00 1.38 H new ATOM 481 N GLU B 511 16.275 10.994 -2.987 1.00 0.00 N ATOM 482 CA GLU B 511 16.077 11.778 -1.771 1.00 0.00 C ATOM 483 C GLU B 511 14.973 12.819 -1.931 1.00 0.00 C ATOM 484 O GLU B 511 14.161 13.020 -1.025 1.00 0.00 O ATOM 485 CB GLU B 511 17.383 12.467 -1.366 1.00 0.01 C ATOM 486 CG GLU B 511 17.977 13.343 -2.460 1.00 1.31 C ATOM 487 CD GLU B 511 19.207 14.099 -1.998 1.00 1.88 C ATOM 488 OE1 GLU B 511 20.318 13.533 -2.078 1.00 2.41 O ATOM 489 OE2 GLU B 511 19.060 15.258 -1.555 1.00 2.44 O ATOM 0 H GLU B 511 17.125 11.233 -3.498 1.00 0.00 H new ATOM 0 HA GLU B 511 15.769 11.085 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU B 511 17.202 13.078 -0.482 1.00 0.01 H new ATOM 0 HB3 GLU B 511 18.112 11.707 -1.085 1.00 0.01 H new ATOM 0 HG2 GLU B 511 18.238 12.721 -3.317 1.00 1.31 H new ATOM 0 HG3 GLU B 511 17.224 14.054 -2.800 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 -3.416 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 -3.146 1.00 0.00 O ATOM 500 CB ASP B 512 14.130 15.136 -4.702 1.00 0.00 C ATOM 501 CG ASP B 512 15.339 16.039 -4.563 1.00 1.11 C ATOM 502 OD1 ASP B 512 15.177 17.177 -4.073 1.00 1.03 O ATOM 503 OD2 ASP B 512 16.447 15.609 -4.944 1.00 2.08 O ATOM 0 H ASP B 512 15.681 13.440 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 512 13.697 15.074 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP B 512 14.298 14.430 -5.515 1.00 0.00 H new ATOM 0 HB3 ASP B 512 13.261 15.735 -4.975 1.00 0.00 H new ATOM 508 N GLU B 513 12.672 12.403 -4.198 1.00 0.00 N ATOM 509 CA GLU B 513 11.566 11.495 -4.387 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.181 -3.058 1.00 0.00 C ATOM 511 O GLU B 513 9.658 11.243 -2.951 1.00 0.00 O ATOM 512 CB GLU B 513 12.052 10.199 -5.042 1.00 0.01 C ATOM 513 CG GLU B 513 10.925 9.270 -5.462 1.00 1.13 C ATOM 514 CD GLU B 513 10.044 9.874 -6.537 1.00 1.38 C ATOM 515 OE1 GLU B 513 9.053 10.547 -6.184 1.00 1.92 O ATOM 516 OE2 GLU B 513 10.346 9.674 -7.732 1.00 1.88 O ATOM 0 H GLU B 513 13.554 12.066 -4.585 1.00 0.00 H new ATOM 0 HA GLU B 513 10.841 11.979 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.652 10.447 -5.917 1.00 0.01 H new ATOM 0 HB3 GLU B 513 12.705 9.673 -4.346 1.00 0.01 H new ATOM 0 HG2 GLU B 513 11.347 8.334 -5.827 1.00 1.13 H new ATOM 0 HG3 GLU B 513 10.316 9.027 -4.592 1.00 1.13 H new ATOM 523 N LYS B 514 11.666 10.834 -2.052 1.00 0.00 N ATOM 524 CA LYS B 514 11.135 10.513 -0.728 1.00 0.00 C ATOM 525 C LYS B 514 10.272 11.633 -0.177 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.407 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.276 10.221 0.248 1.00 0.03 C ATOM 528 CG LYS B 514 13.000 8.913 -0.024 1.00 1.17 C ATOM 529 CD LYS B 514 14.091 8.664 1.003 1.00 1.23 C ATOM 530 CE LYS B 514 14.851 7.380 0.713 1.00 2.02 C ATOM 531 NZ LYS B 514 15.595 7.452 -0.574 1.00 2.73 N ATOM 0 H LYS B 514 12.681 10.766 -2.124 1.00 0.00 H new ATOM 0 HA LYS B 514 10.510 9.627 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS B 514 12.995 11.039 0.205 1.00 0.03 H new ATOM 0 HB3 LYS B 514 11.877 10.200 1.262 1.00 0.03 H new ATOM 0 HG2 LYS B 514 12.286 8.089 -0.007 1.00 1.17 H new ATOM 0 HG3 LYS B 514 13.436 8.937 -1.023 1.00 1.17 H new ATOM 0 HD2 LYS B 514 14.785 9.505 1.008 1.00 1.23 H new ATOM 0 HD3 LYS B 514 13.649 8.609 1.998 1.00 1.23 H new ATOM 0 HE2 LYS B 514 15.550 7.181 1.525 1.00 2.02 H new ATOM 0 HE3 LYS B 514 14.152 6.544 0.682 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 16.255 6.651 -0.639 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 14.923 7.412 -1.366 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 16.128 8.344 -0.617 1.00 2.73 H new ATOM 545 N ARG B 515 10.864 12.826 -0.071 1.00 0.00 N ATOM 546 CA ARG B 515 10.195 14.011 0.492 1.00 0.00 C ATOM 547 C ARG B 515 8.921 14.317 -0.249 1.00 0.00 C ATOM 548 O ARG B 515 7.936 14.767 0.327 1.00 0.00 O ATOM 549 CB ARG B 515 11.130 15.219 0.441 1.00 0.02 C ATOM 550 CG ARG B 515 10.564 16.458 1.117 1.00 1.32 C ATOM 551 CD ARG B 515 11.570 17.596 1.112 1.00 1.65 C ATOM 552 NE ARG B 515 12.820 17.220 1.765 1.00 2.20 N ATOM 553 CZ ARG B 515 13.893 18.004 1.818 1.00 2.85 C ATOM 554 NH1 ARG B 515 13.873 19.201 1.246 1.00 3.02 N ATOM 555 NH2 ARG B 515 14.987 17.591 2.440 1.00 3.75 N ATOM 0 H ARG B 515 11.822 13.002 -0.373 1.00 0.00 H new ATOM 0 HA ARG B 515 9.944 13.795 1.530 1.00 0.00 H new ATOM 0 HB2 ARG B 515 12.075 14.956 0.916 1.00 0.02 H new ATOM 0 HB3 ARG B 515 11.351 15.453 -0.600 1.00 0.02 H new ATOM 0 HG2 ARG B 515 9.654 16.771 0.605 1.00 1.32 H new ATOM 0 HG3 ARG B 515 10.286 16.220 2.144 1.00 1.32 H new ATOM 0 HD2 ARG B 515 11.773 17.896 0.084 1.00 1.65 H new ATOM 0 HD3 ARG B 515 11.142 18.461 1.618 1.00 1.65 H new ATOM 0 HE ARG B 515 12.874 16.302 2.207 1.00 2.20 H new ATOM 0 HH11 ARG B 515 13.033 19.522 0.764 1.00 3.02 H new ATOM 0 HH12 ARG B 515 14.697 19.800 1.288 1.00 3.02 H new ATOM 0 HH21 ARG B 515 15.007 16.671 2.879 1.00 3.75 H new ATOM 0 HH22 ARG B 515 15.809 18.193 2.480 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 6.700 13.480 -2.263 1.00 0.00 C ATOM 572 O PHE B 516 5.544 13.889 -2.145 1.00 0.00 O ATOM 573 CB PHE B 516 8.343 14.493 -3.873 1.00 0.01 C ATOM 574 CG PHE B 516 7.268 14.877 -4.851 1.00 0.66 C ATOM 575 CD1 PHE B 516 6.916 16.206 -5.029 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.615 13.909 -5.597 1.00 1.15 C ATOM 577 CE1 PHE B 516 5.931 16.561 -5.931 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.629 14.258 -6.500 1.00 1.70 C ATOM 579 CZ PHE B 516 5.287 15.585 -6.667 1.00 1.89 C ATOM 0 H PHE B 516 9.742 13.635 -2.026 1.00 0.00 H new ATOM 0 HA PHE B 516 7.527 15.453 -2.134 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.169 15.199 -3.960 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.733 13.511 -4.142 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.417 16.972 -4.456 1.00 1.12 H new ATOM 0 HD2 PHE B 516 6.880 12.870 -5.471 1.00 1.15 H new ATOM 0 HE1 PHE B 516 5.665 17.600 -6.060 1.00 1.67 H new ATOM 0 HE2 PHE B 516 5.127 13.494 -7.074 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.517 15.860 -7.372 1.00 1.89 H new ATOM 589 N LEU B 517 7.023 12.191 -2.258 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 6.637 9.769 -2.384 1.00 0.02 C ATOM 594 CG LEU B 517 7.896 9.389 -1.610 1.00 1.00 C ATOM 595 CD1 LEU B 517 7.540 8.810 -0.251 1.00 1.77 C ATOM 596 CD2 LEU B 517 8.729 8.404 -2.412 1.00 1.90 C ATOM 0 H LEU B 517 7.974 11.849 -2.392 1.00 0.00 H new ATOM 0 HA LEU B 517 5.230 11.346 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU B 517 5.875 9.013 -2.195 1.00 0.02 H new ATOM 0 HB3 LEU B 517 6.864 9.734 -3.450 1.00 0.02 H new ATOM 0 HG LEU B 517 8.486 10.291 -1.447 1.00 1.00 H new ATOM 0 HD11 LEU B 517 8.453 8.546 0.283 1.00 1.77 H new ATOM 0 HD12 LEU B 517 6.984 9.549 0.325 1.00 1.77 H new ATOM 0 HD13 LEU B 517 6.928 7.918 -0.385 1.00 1.77 H new ATOM 0 HD21 LEU B 517 9.624 8.141 -1.848 1.00 1.90 H new ATOM 0 HD22 LEU B 517 8.144 7.505 -2.604 1.00 1.90 H new ATOM 0 HD23 LEU B 517 9.017 8.858 -3.360 1.00 1.90 H new ATOM 608 N VAL B 518 6.219 11.561 0.338 1.00 0.00 N ATOM 609 CA VAL B 518 5.647 11.607 1.673 1.00 0.00 C ATOM 610 C VAL B 518 4.589 12.697 1.722 1.00 0.00 C ATOM 611 O VAL B 518 3.569 12.541 2.392 1.00 0.00 O ATOM 612 CB VAL B 518 6.700 11.846 2.776 1.00 0.03 C ATOM 613 CG1 VAL B 518 7.481 13.120 2.519 1.00 1.40 C ATOM 614 CG2 VAL B 518 6.037 11.897 4.145 1.00 1.40 C ATOM 0 H VAL B 518 7.195 11.847 0.261 1.00 0.00 H new ATOM 0 HA VAL B 518 5.206 10.631 1.873 1.00 0.00 H new ATOM 0 HB VAL B 518 7.400 11.011 2.758 1.00 0.03 H new ATOM 0 HG11 VAL B 518 8.215 13.263 3.312 1.00 1.40 H new ATOM 0 HG12 VAL B 518 7.993 13.046 1.559 1.00 1.40 H new ATOM 0 HG13 VAL B 518 6.797 13.969 2.501 1.00 1.40 H new ATOM 0 HG21 VAL B 518 6.795 12.066 4.910 1.00 1.40 H new ATOM 0 HG22 VAL B 518 5.311 12.710 4.168 1.00 1.40 H new ATOM 0 HG23 VAL B 518 5.530 10.952 4.339 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 3.884 14.893 0.921 1.00 0.00 C ATOM 626 C THR B 519 2.639 14.551 0.080 1.00 0.00 C ATOM 627 O THR B 519 1.527 14.986 0.376 1.00 0.00 O ATOM 628 CB THR B 519 4.535 16.177 0.368 1.00 0.02 C ATOM 629 OG1 THR B 519 5.107 15.934 -0.918 1.00 1.10 O ATOM 630 CG2 THR B 519 5.608 16.690 1.317 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 3.569 15.073 1.949 1.00 0.00 H new ATOM 0 HB THR B 519 3.757 16.935 0.275 1.00 0.02 H new ATOM 0 HG1 THR B 519 5.056 14.977 -1.123 1.00 1.10 H new ATOM 0 HG21 THR B 519 6.054 17.596 0.907 1.00 1.18 H new ATOM 0 HG22 THR B 519 5.161 16.912 2.286 1.00 1.18 H new ATOM 0 HG23 THR B 519 6.379 15.930 1.439 1.00 1.18 H new ATOM 638 N VAL B 520 2.837 13.786 -0.984 1.00 0.00 N ATOM 639 CA VAL B 520 1.760 13.501 -1.912 1.00 0.00 C ATOM 640 C VAL B 520 0.731 12.563 -1.304 1.00 0.00 C ATOM 641 O VAL B 520 -0.475 12.779 -1.458 1.00 0.00 O ATOM 642 CB VAL B 520 2.294 12.885 -3.224 1.00 0.03 C ATOM 643 CG1 VAL B 520 1.150 12.354 -4.079 1.00 1.21 C ATOM 644 CG2 VAL B 520 3.106 13.909 -4.001 1.00 1.22 C ATOM 0 H VAL B 520 3.730 13.355 -1.223 1.00 0.00 H new ATOM 0 HA VAL B 520 1.281 14.455 -2.134 1.00 0.00 H new ATOM 0 HB VAL B 520 2.944 12.049 -2.967 1.00 0.03 H new ATOM 0 HG11 VAL B 520 1.551 11.925 -4.997 1.00 1.21 H new ATOM 0 HG12 VAL B 520 0.609 11.586 -3.526 1.00 1.21 H new ATOM 0 HG13 VAL B 520 0.471 13.170 -4.326 1.00 1.21 H new ATOM 0 HG21 VAL B 520 3.474 13.458 -4.922 1.00 1.22 H new ATOM 0 HG22 VAL B 520 2.476 14.765 -4.243 1.00 1.22 H new ATOM 0 HG23 VAL B 520 3.950 14.239 -3.396 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 -0.192 10.778 1.353 1.00 0.00 C ATOM 657 O ILE B 521 -1.278 10.309 1.712 1.00 0.00 O ATOM 658 CB ILE B 521 1.044 9.148 -0.062 1.00 0.02 C ATOM 659 CG1 ILE B 521 0.050 8.019 0.226 1.00 1.41 C ATOM 660 CG2 ILE B 521 2.172 9.142 0.963 1.00 1.40 C ATOM 661 CD1 ILE B 521 0.669 6.637 0.165 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.393 -0.396 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.537 10.531 -0.721 1.00 0.00 H new ATOM 0 HB ILE B 521 1.471 8.981 -1.051 1.00 0.02 H new ATOM 0 HG12 ILE B 521 -0.383 8.171 1.215 1.00 1.41 H new ATOM 0 HG13 ILE B 521 -0.768 8.074 -0.492 1.00 1.41 H new ATOM 0 HG21 ILE B 521 2.667 8.171 0.953 1.00 1.40 H new ATOM 0 HG22 ILE B 521 2.894 9.920 0.714 1.00 1.40 H new ATOM 0 HG23 ILE B 521 1.763 9.331 1.956 1.00 1.40 H new ATOM 0 HD11 ILE B 521 -0.093 5.887 0.379 1.00 1.98 H new ATOM 0 HD12 ILE B 521 1.078 6.465 -0.831 1.00 1.98 H new ATOM 0 HD13 ILE B 521 1.468 6.563 0.903 1.00 1.98 H new ATOM 673 N LYS B 522 0.554 11.556 2.141 1.00 0.00 N ATOM 674 CA LYS B 522 0.086 11.987 3.459 1.00 0.00 C ATOM 675 C LYS B 522 -1.188 12.800 3.282 1.00 0.00 C ATOM 676 O LYS B 522 -2.117 12.738 4.095 1.00 0.00 O ATOM 677 CB LYS B 522 1.156 12.820 4.170 1.00 0.01 C ATOM 678 CG LYS B 522 0.846 13.094 5.631 1.00 1.10 C ATOM 679 CD LYS B 522 1.976 13.857 6.304 1.00 1.37 C ATOM 680 CE LYS B 522 1.738 14.008 7.797 1.00 2.02 C ATOM 681 NZ LYS B 522 0.483 14.756 8.088 1.00 2.57 N ATOM 0 H LYS B 522 1.481 11.899 1.890 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.117 11.112 4.076 1.00 0.00 H new ATOM 0 HB2 LYS B 522 2.112 12.301 4.102 1.00 0.01 H new ATOM 0 HB3 LYS B 522 1.271 13.770 3.648 1.00 0.01 H new ATOM 0 HG2 LYS B 522 -0.078 13.667 5.707 1.00 1.10 H new ATOM 0 HG3 LYS B 522 0.680 12.151 6.152 1.00 1.10 H new ATOM 0 HD2 LYS B 522 2.918 13.335 6.136 1.00 1.37 H new ATOM 0 HD3 LYS B 522 2.072 14.843 5.849 1.00 1.37 H new ATOM 0 HE2 LYS B 522 1.688 13.022 8.258 1.00 2.02 H new ATOM 0 HE3 LYS B 522 2.583 14.528 8.248 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 0.426 14.955 9.107 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 0.482 15.652 7.560 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 -0.337 14.184 7.801 1.00 2.57 H new ATOM 695 N ASP B 523 -1.244 13.556 2.198 1.00 0.00 N ATOM 696 CA ASP B 523 -2.403 14.404 1.966 1.00 0.00 C ATOM 697 C ASP B 523 -3.521 13.763 1.120 1.00 0.00 C ATOM 698 O ASP B 523 -4.666 14.192 1.202 1.00 0.00 O ATOM 699 CB ASP B 523 -1.960 15.712 1.309 1.00 0.01 C ATOM 700 CG ASP B 523 -1.095 16.554 2.227 1.00 1.28 C ATOM 701 OD1 ASP B 523 0.129 16.305 2.281 1.00 2.17 O ATOM 702 OD2 ASP B 523 -1.639 17.462 2.889 1.00 1.70 O ATOM 0 H ASP B 523 -0.521 13.601 1.480 1.00 0.00 H new ATOM 0 HA ASP B 523 -2.837 14.576 2.951 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.407 15.488 0.397 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -2.840 16.285 1.016 1.00 0.01 H new ATOM 707 N LEU B 524 -3.192 12.737 0.330 1.00 0.00 N ATOM 708 CA LEU B 524 -4.218 11.915 -0.325 1.00 0.00 C ATOM 709 C LEU B 524 -4.931 11.068 0.725 1.00 0.00 C ATOM 710 O LEU B 524 -6.148 11.005 0.749 1.00 0.00 O ATOM 711 CB LEU B 524 -3.596 11.017 -1.396 1.00 0.04 C ATOM 712 CG LEU B 524 -3.097 11.745 -2.645 1.00 0.63 C ATOM 713 CD1 LEU B 524 -2.303 10.797 -3.530 1.00 1.48 C ATOM 714 CD2 LEU B 524 -4.265 12.342 -3.417 1.00 1.36 C ATOM 0 H LEU B 524 -2.232 12.456 0.129 1.00 0.00 H new ATOM 0 HA LEU B 524 -4.937 12.572 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.761 10.475 -0.953 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -4.334 10.274 -1.698 1.00 0.04 H new ATOM 0 HG LEU B 524 -2.441 12.557 -2.332 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -1.955 11.331 -4.415 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -1.446 10.415 -2.976 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -2.938 9.965 -3.835 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -3.891 12.856 -4.302 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -4.946 11.546 -3.720 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -4.796 13.052 -2.782 1.00 1.36 H new ATOM 726 N LEU B 525 -4.164 10.452 1.615 1.00 0.00 N ATOM 727 CA LEU B 525 -4.709 9.802 2.783 1.00 0.00 C ATOM 728 C LEU B 525 -5.630 10.755 3.564 1.00 0.00 C ATOM 729 O LEU B 525 -6.737 10.378 3.995 1.00 0.00 O ATOM 730 CB LEU B 525 -3.583 9.295 3.687 1.00 0.02 C ATOM 731 CG LEU B 525 -2.799 8.102 3.133 1.00 1.09 C ATOM 732 CD1 LEU B 525 -1.612 7.781 4.027 1.00 1.76 C ATOM 733 CD2 LEU B 525 -3.704 6.886 2.996 1.00 1.95 C ATOM 0 H LEU B 525 -3.148 10.393 1.541 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.302 8.951 2.450 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -2.888 10.114 3.871 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -4.009 9.016 4.651 1.00 0.02 H new ATOM 0 HG LEU B 525 -2.424 8.368 2.144 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -1.067 6.931 3.617 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -0.950 8.646 4.078 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -1.966 7.536 5.028 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -3.130 6.048 2.601 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -4.108 6.621 3.973 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -4.524 7.117 2.316 1.00 1.95 H new ATOM 745 N GLY B 526 -5.169 11.989 3.758 1.00 0.00 N ATOM 746 CA GLY B 526 -5.937 12.958 4.506 1.00 0.00 C ATOM 747 C GLY B 526 -7.212 13.327 3.768 1.00 0.00 C ATOM 748 O GLY B 526 -8.279 13.479 4.378 1.00 0.00 O ATOM 0 H GLY B 526 -4.274 12.331 3.407 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.185 12.552 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.337 13.853 4.673 1.00 0.00 H new ATOM 752 N LEU B 527 -7.095 13.477 2.452 1.00 0.00 N ATOM 753 CA LEU B 527 -8.249 13.740 1.597 1.00 0.00 C ATOM 754 C LEU B 527 -9.243 12.570 1.619 1.00 0.00 C ATOM 755 O LEU B 527 -10.462 12.768 1.561 1.00 0.00 O ATOM 756 CB LEU B 527 -7.801 14.008 0.157 1.00 0.01 C ATOM 757 CG LEU B 527 -7.149 15.370 -0.083 1.00 0.98 C ATOM 758 CD1 LEU B 527 -6.600 15.452 -1.499 1.00 1.57 C ATOM 759 CD2 LEU B 527 -8.147 16.492 0.169 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 -8.751 14.624 1.989 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -7.097 13.230 -0.137 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -8.668 13.918 -0.498 1.00 0.01 H new ATOM 0 HG LEU B 527 -6.321 15.485 0.616 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -6.139 16.427 -1.655 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -5.854 14.671 -1.646 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -7.413 15.317 -2.213 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -7.665 17.454 -0.007 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -8.996 16.383 -0.506 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -8.496 16.444 1.201 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 -10.503 10.116 2.796 1.00 0.00 C ATOM 774 O CYS B 528 -11.699 9.879 2.624 1.00 0.00 O ATOM 775 CB CYS B 528 -8.680 8.909 1.594 1.00 0.04 C ATOM 776 SG CYS B 528 -9.620 7.384 1.348 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 -10.120 10.220 0.700 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -7.943 9.003 0.796 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.128 8.837 2.531 1.00 0.04 H new ATOM 0 HG CYS B 528 -8.807 6.370 1.335 1.00 0.59 H new ATOM 782 N GLU B 529 -9.963 10.338 3.988 1.00 0.00 N ATOM 783 CA GLU B 529 -10.766 10.452 5.194 1.00 0.00 C ATOM 784 C GLU B 529 -11.754 11.634 5.138 1.00 0.00 C ATOM 785 O GLU B 529 -12.832 11.585 5.741 1.00 0.00 O ATOM 786 CB GLU B 529 -9.882 10.554 6.441 1.00 0.02 C ATOM 787 CG GLU B 529 -9.008 11.792 6.486 1.00 1.29 C ATOM 788 CD GLU B 529 -8.244 11.919 7.790 1.00 1.85 C ATOM 789 OE1 GLU B 529 -7.130 11.362 7.882 1.00 2.50 O ATOM 790 OE2 GLU B 529 -8.761 12.575 8.719 1.00 2.25 O ATOM 0 H GLU B 529 -8.960 10.443 4.143 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.357 9.539 5.257 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -10.519 10.541 7.326 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -9.245 9.671 6.494 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -8.302 11.764 5.656 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -9.629 12.676 6.346 1.00 1.29 H new ATOM 797 N GLN B 530 -11.385 12.682 4.409 1.00 0.00 N ATOM 798 CA GLN B 530 -12.202 13.892 4.305 1.00 0.00 C ATOM 799 C GLN B 530 -13.468 13.697 3.474 1.00 0.00 C ATOM 800 O GLN B 530 -14.574 13.994 3.922 1.00 0.00 O ATOM 801 CB GLN B 530 -11.366 15.025 3.708 1.00 0.01 C ATOM 802 CG GLN B 530 -12.109 16.346 3.599 1.00 0.99 C ATOM 803 CD GLN B 530 -11.261 17.438 2.976 1.00 1.50 C ATOM 804 OE1 GLN B 530 -10.562 18.173 3.675 1.00 2.15 O ATOM 805 NE2 GLN B 530 -11.315 17.549 1.653 1.00 2.24 N ATOM 0 H GLN B 530 -10.517 12.720 3.875 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.525 14.142 5.316 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.476 15.169 4.321 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -11.025 14.728 2.716 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -13.010 16.205 3.002 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -12.431 16.662 4.592 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -11.908 16.919 1.112 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -10.764 18.264 1.178 1.00 2.24 H new ATOM 814 N LYS B 531 -13.291 13.227 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.046 1.331 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 -14.850 10.865 2.246 1.00 0.00 O ATOM 818 CB LYS B 531 -13.884 12.749 -0.078 1.00 0.03 C ATOM 819 CG LYS B 531 -12.979 13.836 -0.642 1.00 0.77 C ATOM 820 CD LYS B 531 -13.741 15.126 -0.909 1.00 1.35 C ATOM 821 CE LYS B 531 -14.735 14.964 -2.051 1.00 1.81 C ATOM 822 NZ LYS B 531 -15.453 16.235 -2.347 1.00 2.28 N ATOM 0 H LYS B 531 -12.383 12.964 1.864 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.978 13.971 1.314 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -13.338 11.806 -0.063 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -14.734 12.614 -0.747 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -12.167 14.032 0.058 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -12.523 13.485 -1.568 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -14.270 15.430 -0.006 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -13.037 15.922 -1.149 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -14.209 14.627 -2.945 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -15.458 14.189 -1.796 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -16.120 16.083 -3.130 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -15.975 16.543 -1.502 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -14.765 16.968 -2.616 1.00 2.28 H new ATOM 836 N ARG B 532 -16.621 12.149 1.690 1.00 0.00 N ATOM 837 CA ARG B 532 -17.591 11.144 2.065 1.00 0.00 C ATOM 838 C ARG B 532 -18.045 10.367 0.834 1.00 0.00 C ATOM 839 O ARG B 532 -17.884 10.828 -0.303 1.00 0.00 O ATOM 840 CB ARG B 532 -18.798 11.802 2.738 1.00 0.01 C ATOM 841 CG ARG B 532 -19.475 12.851 1.867 1.00 1.32 C ATOM 842 CD ARG B 532 -20.698 13.445 2.547 1.00 1.86 C ATOM 843 NE ARG B 532 -21.340 14.463 1.716 1.00 2.54 N ATOM 844 CZ ARG B 532 -22.657 14.625 1.628 1.00 3.32 C ATOM 845 NH1 ARG B 532 -23.475 13.839 2.318 1.00 3.60 N ATOM 846 NH2 ARG B 532 -23.159 15.573 0.847 1.00 4.21 N ATOM 0 H ARG B 532 -17.023 13.022 1.349 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.125 10.454 2.768 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -19.524 11.032 2.999 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -18.477 12.266 3.671 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -18.765 13.646 1.637 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -19.769 12.401 0.919 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -21.413 12.652 2.767 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -20.406 13.885 3.501 1.00 1.86 H new ATOM 0 HE ARG B 532 -20.742 15.085 1.172 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -23.094 13.108 2.918 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -24.485 13.966 2.248 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -22.535 16.178 0.314 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -24.169 15.697 0.780 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 8.352 -0.009 1.00 0.00 C ATOM 862 C GLY B 533 -18.046 7.432 -0.600 1.00 0.00 C ATOM 863 O GLY B 533 -17.037 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 -19.928 7.750 0.356 1.00 0.00 H new ATOM 0 HA3 GLY B 533 -19.489 8.993 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.311 6.128 -0.517 1.00 0.00 N ATOM 868 CA LYS B 534 -17.433 5.114 -1.088 1.00 0.00 C ATOM 869 C LYS B 534 -16.994 5.432 -2.531 1.00 0.00 C ATOM 870 O LYS B 534 -15.868 5.161 -2.906 1.00 0.00 O ATOM 871 CB LYS B 534 -18.129 3.753 -1.059 1.00 0.02 C ATOM 872 CG LYS B 534 -18.580 3.331 0.331 1.00 1.17 C ATOM 873 CD LYS B 534 -19.267 1.974 0.311 1.00 1.67 C ATOM 874 CE LYS B 534 -20.595 2.027 -0.429 1.00 2.37 C ATOM 875 NZ LYS B 534 -21.303 0.718 -0.393 1.00 2.95 N ATOM 0 H LYS B 534 -19.137 5.749 -0.054 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.532 5.100 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -18.995 3.783 -1.720 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -17.450 2.998 -1.457 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -17.718 3.293 0.997 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -19.263 4.079 0.735 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -18.614 1.242 -0.165 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -19.433 1.635 1.334 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -21.228 2.795 0.016 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -20.422 2.318 -1.465 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -22.203 0.796 -0.908 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -20.710 -0.010 -0.840 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -21.491 0.452 0.595 1.00 2.95 H new ATOM 889 N ASP B 535 -17.881 6.013 -3.334 1.00 0.00 N ATOM 890 CA ASP B 535 -17.493 6.447 -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 7.029 -5.340 1.00 0.00 O ATOM 893 CB ASP B 535 -18.623 7.249 -5.318 1.00 0.01 C ATOM 894 CG ASP B 535 -19.912 6.457 -5.417 1.00 1.35 C ATOM 895 OD1 ASP B 535 -20.075 5.709 -6.403 1.00 1.82 O ATOM 896 OD2 ASP B 535 -20.760 6.588 -4.508 1.00 2.20 O ATOM 0 H ASP B 535 -18.855 6.191 -3.089 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.296 5.558 -5.270 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -18.800 8.155 -4.738 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -18.316 7.564 -6.315 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 -15.400 10.399 -2.731 1.00 0.07 C ATOM 906 CG ASN B 536 -16.485 11.255 -3.354 1.00 0.63 C ATOM 907 OD1 ASN B 536 -16.200 12.207 -4.082 1.00 1.38 O ATOM 908 ND2 ASN B 536 -17.740 10.921 -3.072 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 9.522 -4.594 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -15.732 10.053 -1.752 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -14.510 11.007 -2.569 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -18.512 11.461 -3.463 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -17.932 10.125 -2.464 1.00 1.47 H new ATOM 915 N LYS B 537 -14.118 7.680 -1.955 1.00 0.00 N ATOM 916 CA LYS B 537 -13.035 7.022 -1.232 1.00 0.00 C ATOM 917 C LYS B 537 -12.376 5.966 -2.114 1.00 0.00 C ATOM 918 O LYS B 537 -11.168 5.734 -2.025 1.00 0.00 O ATOM 919 CB LYS B 537 -13.577 6.351 0.034 1.00 0.03 C ATOM 920 CG LYS B 537 -14.560 7.205 0.819 1.00 0.81 C ATOM 921 CD LYS B 537 -13.859 8.071 1.852 1.00 1.12 C ATOM 922 CE LYS B 537 -13.255 7.238 2.973 1.00 1.82 C ATOM 923 NZ LYS B 537 -14.300 6.552 3.781 1.00 2.50 N ATOM 0 H LYS B 537 -15.054 7.486 -1.599 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.298 7.776 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.065 5.417 -0.244 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.739 6.092 0.682 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -15.119 7.840 0.132 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -15.284 6.560 1.317 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -13.074 8.651 1.367 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -14.569 8.784 2.271 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -12.578 6.496 2.549 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -12.658 7.880 3.621 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -13.879 6.195 4.662 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -15.060 7.225 4.009 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -14.693 5.757 3.238 1.00 2.50 H new ATOM 937 N ALA B 538 -13.175 5.357 -2.987 1.00 0.00 N ATOM 938 CA ALA B 538 -12.693 4.351 -3.922 1.00 0.00 C ATOM 939 C ALA B 538 -11.768 4.969 -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 -13.861 3.643 -4.588 1.00 0.04 C ATOM 0 H ALA B 538 -14.174 5.549 -3.064 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.116 3.616 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.483 2.894 -5.284 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.473 3.157 -3.828 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.466 4.370 -5.130 1.00 0.04 H new ATOM 947 N ILE B 539 -12.188 6.086 -5.547 1.00 0.00 N ATOM 948 CA ILE B 539 -11.334 6.842 -6.454 1.00 0.00 C ATOM 949 C ILE B 539 -10.027 7.272 -5.761 1.00 0.00 C ATOM 950 O ILE B 539 -8.925 6.984 -6.229 1.00 0.00 O ATOM 951 CB ILE B 539 -12.037 8.055 -7.111 1.00 0.05 C ATOM 952 CG1 ILE B 539 -12.587 9.026 -6.072 1.00 1.15 C ATOM 953 CG2 ILE B 539 -13.152 7.572 -8.026 1.00 1.12 C ATOM 954 CD1 ILE B 539 -13.144 10.302 -6.666 1.00 1.82 C ATOM 0 H ILE B 539 -13.114 6.489 -5.405 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.093 6.159 -7.268 1.00 0.00 H new ATOM 0 HB ILE B 539 -11.293 8.595 -7.697 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -13.372 8.528 -5.502 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -11.794 9.279 -5.369 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -13.643 8.430 -8.485 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -12.733 6.934 -8.804 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -13.880 7.006 -7.445 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -13.517 10.943 -5.867 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -12.357 10.823 -7.212 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -13.960 10.060 -7.347 1.00 1.82 H new ATOM 966 N ILE B 540 -10.147 7.956 -4.633 1.00 0.00 N ATOM 967 CA ILE B 540 -8.959 8.425 -3.926 1.00 0.00 C ATOM 968 C ILE B 540 -8.036 7.255 -3.593 1.00 0.00 C ATOM 969 O ILE B 540 -6.836 7.308 -3.847 1.00 0.00 O ATOM 970 CB ILE B 540 -9.335 9.172 -2.631 1.00 0.06 C ATOM 971 CG1 ILE B 540 -10.198 10.390 -2.963 1.00 1.12 C ATOM 972 CG2 ILE B 540 -8.082 9.591 -1.874 1.00 1.11 C ATOM 973 CD1 ILE B 540 -10.817 11.048 -1.748 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.196 -4.192 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.438 9.118 -4.586 1.00 0.00 H new ATOM 0 HB ILE B 540 -9.909 8.501 -1.991 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -9.588 11.123 -3.491 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -10.992 10.086 -3.645 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -8.366 10.117 -0.963 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -7.500 8.706 -1.616 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -7.481 10.250 -2.501 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -11.414 11.904 -2.062 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -11.454 10.331 -1.231 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -10.028 11.384 -1.075 1.00 1.85 H new ATOM 985 N ALA B 541 -8.617 6.197 -3.037 1.00 0.00 N ATOM 986 CA ALA B 541 -7.884 4.992 -2.671 1.00 0.00 C ATOM 987 C ALA B 541 -7.138 4.344 -3.845 1.00 0.00 C ATOM 988 O ALA B 541 -5.985 3.914 -3.706 1.00 0.00 O ATOM 989 CB ALA B 541 -8.808 3.981 -2.012 1.00 0.02 C ATOM 0 H ALA B 541 -9.614 6.152 -2.827 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.121 5.310 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.241 3.089 -1.747 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.241 4.417 -1.112 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.605 3.711 -2.704 1.00 0.02 H new ATOM 995 N SER B 542 -7.806 4.247 -4.992 1.00 0.00 N ATOM 996 CA SER B 542 -7.190 3.623 -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 3.783 -6.958 1.00 0.00 O ATOM 999 CB SER B 542 -8.174 3.582 -7.334 1.00 0.01 C ATOM 1000 OG SER B 542 -8.523 4.888 -7.755 1.00 1.20 O ATOM 0 H SER B 542 -8.757 4.585 -5.136 1.00 0.00 H new ATOM 0 HA SER B 542 -6.918 2.600 -5.903 1.00 0.00 H new ATOM 0 HB2 SER B 542 -7.731 3.035 -8.166 1.00 0.01 H new ATOM 0 HB3 SER B 542 -9.072 3.040 -7.038 1.00 0.01 H new ATOM 0 HG SER B 542 -8.548 5.486 -6.979 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 6.614 -6.889 1.00 0.00 C ATOM 1008 C ASN B 543 -3.683 6.555 -6.034 1.00 0.00 C ATOM 1009 O ASN B 543 -2.564 6.476 -6.540 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.489 8.048 -6.906 1.00 0.01 C ATOM 1011 CG ASN B 543 -4.465 9.041 -7.421 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -4.394 9.311 -8.619 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -3.664 9.590 -6.514 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 -4.670 6.288 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -6.381 8.094 -7.531 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -5.791 8.332 -5.898 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -2.955 10.265 -6.801 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -3.758 9.337 -5.530 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 -2.125 4.981 -4.206 1.00 0.00 C ATOM 1023 O ILE B 544 -0.899 4.864 -4.295 1.00 0.00 O ATOM 1024 CB ILE B 544 -3.214 6.308 -2.331 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -4.214 5.189 -2.051 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -3.806 7.655 -1.945 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -4.481 4.970 -0.578 1.00 1.81 C ATOM 0 H ILE B 544 -4.761 6.783 -4.283 1.00 0.00 H new ATOM 0 HA ILE B 544 -2.067 7.140 -3.905 1.00 0.00 H new ATOM 0 HB ILE B 544 -2.328 6.121 -1.725 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -5.154 5.420 -2.552 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -3.840 4.262 -2.486 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -4.107 7.633 -0.898 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -3.060 8.436 -2.092 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -4.676 7.862 -2.568 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -5.200 4.160 -0.455 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -3.550 4.708 -0.075 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -4.885 5.884 -0.142 1.00 1.81 H new ATOM 1039 N MET B 545 -2.943 3.969 -4.459 1.00 0.00 N ATOM 1040 CA MET B 545 -2.395 2.675 -4.845 1.00 0.00 C ATOM 1041 C MET B 545 -1.647 2.722 -6.183 1.00 0.00 C ATOM 1042 O MET B 545 -0.568 2.139 -6.321 1.00 0.00 O ATOM 1043 CB MET B 545 -3.510 1.628 -4.898 1.00 0.04 C ATOM 1044 CG MET B 545 -4.051 1.254 -3.525 1.00 0.88 C ATOM 1045 SD MET B 545 -5.146 -0.179 -3.570 1.00 1.81 S ATOM 1046 CE MET B 545 -6.556 0.496 -4.445 1.00 2.60 C ATOM 0 H MET B 545 -3.961 4.014 -4.407 1.00 0.00 H new ATOM 0 HA MET B 545 -1.665 2.397 -4.085 1.00 0.00 H new ATOM 0 HB2 MET B 545 -4.327 2.008 -5.511 1.00 0.04 H new ATOM 0 HB3 MET B 545 -3.133 0.731 -5.389 1.00 0.04 H new ATOM 0 HG2 MET B 545 -3.217 1.047 -2.855 1.00 0.88 H new ATOM 0 HG3 MET B 545 -4.590 2.105 -3.108 1.00 0.88 H new ATOM 0 HE1 MET B 545 -7.362 -0.238 -4.458 1.00 2.60 H new ATOM 0 HE2 MET B 545 -6.898 1.400 -3.942 1.00 2.60 H new ATOM 0 HE3 MET B 545 -6.268 0.737 -5.468 1.00 2.60 H new ATOM 1056 N TYR B 546 -2.206 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 -0.144 4.208 -8.187 1.00 0.00 C ATOM 1059 O TYR B 546 0.869 3.697 -8.654 1.00 0.00 O ATOM 1060 CB TYR B 546 -2.331 4.402 -9.400 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.663 4.612 -10.741 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.794 3.675 -11.758 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -0.899 5.747 -10.989 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -1.184 3.863 -12.985 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.286 5.942 -12.212 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.438 5.001 -13.208 1.00 1.57 C ATOM 1067 OH TYR B 546 0.177 5.187 -14.426 1.00 2.08 O ATOM 0 H TYR B 546 -3.113 3.886 -7.112 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.359 2.572 -8.854 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.295 3.918 -9.557 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.532 5.374 -8.949 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.382 2.785 -11.588 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -0.783 6.489 -10.213 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -1.291 3.123 -13.764 1.00 1.00 H new ATOM 0 HE2 TYR B 546 0.309 6.826 -12.387 1.00 1.68 H new ATOM 0 HH TYR B 546 0.662 6.039 -14.421 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 6.044 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.148 5.161 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.251 4.975 -6.967 1.00 0.00 O ATOM 1081 CB ILE B 547 0.788 7.248 -6.188 1.00 0.06 C ATOM 1082 CG1 ILE B 547 -0.009 8.312 -6.950 1.00 0.74 C ATOM 1083 CG2 ILE B 547 2.074 7.841 -5.624 1.00 0.78 C ATOM 1084 CD1 ILE B 547 0.754 8.948 -8.096 1.00 1.50 C ATOM 0 H ILE B 547 -0.978 5.728 -7.045 1.00 0.00 H new ATOM 0 HA ILE B 547 1.497 6.395 -8.055 1.00 0.00 H new ATOM 0 HB ILE B 547 0.185 6.896 -5.351 1.00 0.06 H new ATOM 0 HG12 ILE B 547 -0.920 7.859 -7.340 1.00 0.74 H new ATOM 0 HG13 ILE B 547 -0.314 9.092 -6.253 1.00 0.74 H new ATOM 0 HG21 ILE B 547 1.833 8.687 -4.981 1.00 0.78 H new ATOM 0 HG22 ILE B 547 2.600 7.083 -5.044 1.00 0.78 H new ATOM 0 HG23 ILE B 547 2.709 8.177 -6.443 1.00 0.78 H new ATOM 0 HD11 ILE B 547 0.123 9.690 -8.586 1.00 1.50 H new ATOM 0 HD12 ILE B 547 1.652 9.432 -7.711 1.00 1.50 H new ATOM 0 HD13 ILE B 547 1.036 8.180 -8.816 1.00 1.50 H new ATOM 1096 N VAL B 548 1.821 4.606 -5.289 1.00 0.00 N ATOM 1097 CA VAL B 548 2.743 3.687 -4.640 1.00 0.00 C ATOM 1098 C VAL B 548 3.289 2.643 -5.630 1.00 0.00 C ATOM 1099 O VAL B 548 4.477 2.341 -5.637 1.00 0.00 O ATOM 1100 CB VAL B 548 2.099 2.975 -3.430 1.00 0.03 C ATOM 1101 CG1 VAL B 548 1.661 3.990 -2.387 1.00 1.40 C ATOM 1102 CG2 VAL B 548 0.925 2.113 -3.861 1.00 1.39 C ATOM 0 H VAL B 548 0.946 4.769 -4.791 1.00 0.00 H new ATOM 0 HA VAL B 548 3.573 4.292 -4.275 1.00 0.00 H new ATOM 0 HB VAL B 548 2.850 2.321 -2.986 1.00 0.03 H new ATOM 0 HG11 VAL B 548 1.209 3.471 -1.541 1.00 1.40 H new ATOM 0 HG12 VAL B 548 2.527 4.557 -2.045 1.00 1.40 H new ATOM 0 HG13 VAL B 548 0.932 4.671 -2.826 1.00 1.40 H new ATOM 0 HG21 VAL B 548 0.492 1.625 -2.988 1.00 1.39 H new ATOM 0 HG22 VAL B 548 0.170 2.738 -4.338 1.00 1.39 H new ATOM 0 HG23 VAL B 548 1.269 1.357 -4.567 1.00 1.39 H new ATOM 1112 N GLY B 549 2.416 2.078 -6.461 1.00 0.00 N ATOM 1113 CA GLY B 549 2.816 1.045 -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 0.702 -8.824 1.00 0.00 O ATOM 0 H GLY B 549 1.426 2.320 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.155 0.167 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.949 0.739 -7.992 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.808 -8.596 1.00 0.00 N ATOM 1120 CA GLN B 550 4.882 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 4.047 -9.636 1.00 0.00 O ATOM 1123 CB GLN B 550 4.263 4.644 -10.174 1.00 0.01 C ATOM 1124 CG GLN B 550 5.025 5.172 -11.378 1.00 1.12 C ATOM 1125 CD GLN B 550 5.131 4.154 -12.496 1.00 1.59 C ATOM 1126 OE1 GLN B 550 4.266 4.079 -13.368 1.00 2.25 O ATOM 1127 NE2 GLN B 550 6.197 3.361 -12.475 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.487 -8.143 1.00 0.00 H new ATOM 0 HA GLN B 550 5.068 2.642 -10.322 1.00 0.00 H new ATOM 0 HB2 GLN B 550 3.239 4.422 -10.473 1.00 0.01 H new ATOM 0 HB3 GLN B 550 4.212 5.426 -9.417 1.00 0.01 H new ATOM 0 HG2 GLN B 550 4.529 6.067 -11.753 1.00 1.12 H new ATOM 0 HG3 GLN B 550 6.026 5.470 -11.067 1.00 1.12 H new ATOM 0 HE21 GLN B 550 6.890 3.458 -11.733 1.00 2.27 H new ATOM 0 HE22 GLN B 550 6.322 2.656 -13.201 1.00 2.27 H new ATOM 1136 N TYR B 551 6.301 3.640 -7.604 1.00 0.00 N ATOM 1137 CA TYR B 551 7.521 4.004 -6.906 1.00 0.00 C ATOM 1138 C TYR B 551 8.132 2.858 -6.087 1.00 0.00 C ATOM 1139 O TYR B 551 8.289 2.969 -4.871 1.00 0.00 O ATOM 1140 CB TYR B 551 7.259 5.202 -5.992 1.00 0.08 C ATOM 1141 CG TYR B 551 6.900 6.469 -6.735 1.00 0.90 C ATOM 1142 CD1 TYR B 551 7.848 7.144 -7.495 1.00 1.80 C ATOM 1143 CD2 TYR B 551 5.615 6.993 -6.675 1.00 1.10 C ATOM 1144 CE1 TYR B 551 7.524 8.303 -8.174 1.00 2.65 C ATOM 1145 CE2 TYR B 551 5.284 8.151 -7.352 1.00 1.91 C ATOM 1146 CZ TYR B 551 6.241 8.802 -8.100 1.00 2.65 C ATOM 1147 OH TYR B 551 5.915 9.955 -8.776 1.00 3.53 O ATOM 0 H TYR B 551 5.541 3.323 -7.002 1.00 0.00 H new ATOM 0 HA TYR B 551 8.249 4.258 -7.677 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.450 4.953 -5.305 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.146 5.386 -5.386 1.00 0.08 H new ATOM 0 HD1 TYR B 551 8.854 6.756 -7.556 1.00 1.80 H new ATOM 0 HD2 TYR B 551 4.862 6.487 -6.089 1.00 1.10 H new ATOM 0 HE1 TYR B 551 8.272 8.816 -8.760 1.00 2.65 H new ATOM 0 HE2 TYR B 551 4.280 8.544 -7.295 1.00 1.91 H new ATOM 0 HH TYR B 551 4.972 10.170 -8.620 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 9.116 0.635 -6.028 1.00 0.00 C ATOM 1159 C PRO B 552 10.380 1.051 -5.273 1.00 0.00 C ATOM 1160 O PRO B 552 10.616 0.552 -4.182 1.00 0.00 O ATOM 1161 CB PRO B 552 9.466 -0.365 -7.140 1.00 0.01 C ATOM 1162 CG PRO B 552 9.354 0.398 -8.422 1.00 0.46 C ATOM 1163 CD PRO B 552 8.329 1.470 -8.186 1.00 0.02 C ATOM 0 HA PRO B 552 8.454 0.235 -5.260 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.473 -0.761 -7.007 1.00 0.01 H new ATOM 0 HB3 PRO B 552 8.785 -1.216 -7.130 1.00 0.01 H new ATOM 0 HG2 PRO B 552 10.314 0.832 -8.701 1.00 0.46 H new ATOM 0 HG3 PRO B 552 9.051 -0.257 -9.239 1.00 0.46 H new ATOM 0 HD2 PRO B 552 8.520 2.355 -8.793 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.322 1.129 -8.427 1.00 0.02 H new ATOM 1171 N ARG B 553 11.202 1.915 -5.861 1.00 0.00 N ATOM 1172 CA ARG B 553 12.483 2.260 -5.259 1.00 0.00 C ATOM 1173 C ARG B 553 12.267 2.791 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.957 2.403 -2.912 1.00 0.00 O ATOM 1175 CB ARG B 553 13.221 3.295 -6.113 1.00 0.01 C ATOM 1176 CG ARG B 553 12.400 4.537 -6.418 1.00 1.17 C ATOM 1177 CD ARG B 553 13.182 5.523 -7.273 1.00 1.73 C ATOM 1178 NE ARG B 553 13.563 4.948 -8.560 1.00 2.26 N ATOM 1179 CZ ARG B 553 14.612 5.354 -9.269 1.00 3.06 C ATOM 1180 NH1 ARG B 553 15.386 6.330 -8.813 1.00 3.50 N ATOM 1181 NH2 ARG B 553 14.890 4.782 -10.432 1.00 3.87 N ATOM 0 H ARG B 553 11.006 2.384 -6.745 1.00 0.00 H new ATOM 0 HA ARG B 553 13.098 1.362 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG B 553 14.135 3.592 -5.598 1.00 0.01 H new ATOM 0 HB3 ARG B 553 13.521 2.830 -7.052 1.00 0.01 H new ATOM 0 HG2 ARG B 553 11.484 4.252 -6.935 1.00 1.17 H new ATOM 0 HG3 ARG B 553 12.103 5.017 -5.485 1.00 1.17 H new ATOM 0 HD2 ARG B 553 12.580 6.416 -7.439 1.00 1.73 H new ATOM 0 HD3 ARG B 553 14.077 5.837 -6.737 1.00 1.73 H new ATOM 0 HE ARG B 553 12.992 4.192 -8.937 1.00 2.26 H new ATOM 0 HH11 ARG B 553 15.177 6.770 -7.917 1.00 3.50 H new ATOM 0 HH12 ARG B 553 16.190 6.640 -9.358 1.00 3.50 H new ATOM 0 HH21 ARG B 553 14.299 4.029 -10.784 1.00 3.87 H new ATOM 0 HH22 ARG B 553 15.695 5.095 -10.975 1.00 3.87 H new ATOM 1195 N PHE B 554 11.304 3.698 -3.716 1.00 0.00 N ATOM 1196 CA PHE B 554 10.769 4.142 -2.433 1.00 0.00 C ATOM 1197 C PHE B 554 10.406 2.963 -1.519 1.00 0.00 C ATOM 1198 O PHE B 554 10.934 2.835 -0.407 1.00 0.00 O ATOM 1199 CB PHE B 554 9.537 5.033 -2.596 1.00 0.03 C ATOM 1200 CG PHE B 554 8.849 5.307 -1.280 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.552 5.822 -0.202 1.00 0.40 C ATOM 1202 CD2 PHE B 554 7.490 5.060 -1.131 1.00 0.59 C ATOM 1203 CE1 PHE B 554 8.915 6.083 0.999 1.00 0.45 C ATOM 1204 CE2 PHE B 554 6.848 5.322 0.065 1.00 0.70 C ATOM 1205 CZ PHE B 554 7.602 5.791 1.163 1.00 0.48 C ATOM 0 H PHE B 554 10.865 4.154 -4.516 1.00 0.00 H new ATOM 0 HA PHE B 554 11.568 4.721 -1.971 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.833 5.978 -3.052 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.834 4.555 -3.278 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.609 6.022 -0.300 1.00 0.40 H new ATOM 0 HD2 PHE B 554 6.928 4.658 -1.961 1.00 0.59 H new ATOM 0 HE1 PHE B 554 9.470 6.524 1.814 1.00 0.45 H new ATOM 0 HE2 PHE B 554 5.783 5.170 0.158 1.00 0.70 H new ATOM 0 HZ PHE B 554 7.135 5.916 2.129 1.00 0.48 H new ATOM 1215 N LEU B 555 9.491 2.113 -1.988 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 -0.794 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 8.049 0.115 -2.048 1.00 0.03 C ATOM 1220 CG LEU B 555 6.600 0.618 -2.079 1.00 0.54 C ATOM 1221 CD1 LEU B 555 6.018 0.674 -0.676 1.00 1.49 C ATOM 1222 CD2 LEU B 555 6.514 1.982 -2.744 1.00 1.34 C ATOM 0 H LEU B 555 9.052 2.206 -2.904 1.00 0.00 H new ATOM 0 HA LEU B 555 8.511 1.320 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU B 555 8.418 0.063 -3.072 1.00 0.03 H new ATOM 0 HB3 LEU B 555 8.053 -0.902 -1.656 1.00 0.03 H new ATOM 0 HG LEU B 555 6.013 -0.087 -2.667 1.00 0.54 H new ATOM 0 HD11 LEU B 555 4.990 1.033 -0.723 1.00 1.49 H new ATOM 0 HD12 LEU B 555 6.034 -0.323 -0.235 1.00 1.49 H new ATOM 0 HD13 LEU B 555 6.612 1.352 -0.063 1.00 1.49 H new ATOM 0 HD21 LEU B 555 5.477 2.317 -2.754 1.00 1.34 H new ATOM 0 HD22 LEU B 555 7.121 2.697 -2.188 1.00 1.34 H new ATOM 0 HD23 LEU B 555 6.882 1.912 -3.767 1.00 1.34 H new ATOM 1234 N ARG B 556 11.072 -0.176 -1.756 1.00 0.00 N ATOM 1235 CA ARG B 556 12.244 -1.010 -1.531 1.00 0.00 C ATOM 1236 C ARG B 556 13.132 -0.533 -0.371 1.00 0.00 C ATOM 1237 O ARG B 556 13.690 -1.351 0.381 1.00 0.00 O ATOM 1238 CB ARG B 556 13.080 -1.091 -2.811 1.00 0.02 C ATOM 1239 CG ARG B 556 12.440 -1.932 -3.905 1.00 1.02 C ATOM 1240 CD ARG B 556 13.305 -1.975 -5.154 1.00 1.14 C ATOM 1241 NE ARG B 556 14.649 -2.473 -4.874 1.00 1.74 N ATOM 1242 CZ ARG B 556 15.537 -2.773 -5.818 1.00 2.13 C ATOM 1243 NH1 ARG B 556 15.220 -2.627 -7.098 1.00 1.99 N ATOM 1244 NH2 ARG B 556 16.741 -3.217 -5.482 1.00 3.09 N ATOM 0 H ARG B 556 10.983 0.163 -2.714 1.00 0.00 H new ATOM 0 HA ARG B 556 11.866 -1.994 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG B 556 13.247 -0.083 -3.190 1.00 0.02 H new ATOM 0 HB3 ARG B 556 14.058 -1.507 -2.570 1.00 0.02 H new ATOM 0 HG2 ARG B 556 12.278 -2.946 -3.538 1.00 1.02 H new ATOM 0 HG3 ARG B 556 11.461 -1.523 -4.154 1.00 1.02 H new ATOM 0 HD2 ARG B 556 12.831 -2.612 -5.901 1.00 1.14 H new ATOM 0 HD3 ARG B 556 13.371 -0.975 -5.583 1.00 1.14 H new ATOM 0 HE ARG B 556 14.922 -2.598 -3.899 1.00 1.74 H new ATOM 0 HH11 ARG B 556 14.295 -2.285 -7.359 1.00 1.99 H new ATOM 0 HH12 ARG B 556 15.901 -2.857 -7.822 1.00 1.99 H new ATOM 0 HH21 ARG B 556 16.987 -3.329 -4.498 1.00 3.09 H new ATOM 0 HH22 ARG B 556 17.421 -3.447 -6.207 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 0.838 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 3.196 1.00 0.00 O ATOM 1262 CB ALA B 557 14.621 2.699 0.416 1.00 0.00 C ATOM 0 H ALA B 557 12.745 1.474 -0.772 1.00 0.00 H new ATOM 0 HA ALA B 557 14.938 0.648 0.968 1.00 0.00 H new ATOM 0 HB1 ALA B 557 15.262 3.102 1.200 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.193 2.601 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.781 3.374 0.252 1.00 0.00 H new ATOM 1268 N HIS B 558 12.060 1.265 2.189 1.00 0.00 N ATOM 1269 CA HIS B 558 11.289 1.401 3.442 1.00 0.00 C ATOM 1270 C HIS B 558 10.361 0.208 3.752 1.00 0.00 C ATOM 1271 O HIS B 558 9.150 0.300 3.572 1.00 0.00 O ATOM 1272 CB HIS B 558 10.466 2.690 3.407 1.00 0.08 C ATOM 1273 CG HIS B 558 11.301 3.933 3.440 1.00 1.15 C ATOM 1274 ND1 HIS B 558 11.618 4.595 4.607 1.00 2.12 N ATOM 1275 CD2 HIS B 558 11.885 4.636 2.440 1.00 2.10 C ATOM 1276 CE1 HIS B 558 12.360 5.651 4.326 1.00 2.93 C ATOM 1277 NE2 HIS B 558 12.537 5.698 3.019 1.00 2.91 N ATOM 0 H HIS B 558 11.502 1.038 1.366 1.00 0.00 H new ATOM 0 HA HIS B 558 12.028 1.428 4.243 1.00 0.00 H new ATOM 0 HB2 HIS B 558 9.854 2.697 2.505 1.00 0.08 H new ATOM 0 HB3 HIS B 558 9.782 2.698 4.256 1.00 0.08 H new ATOM 0 HD1 HIS B 558 11.325 4.313 5.542 1.00 2.12 H new ATOM 0 HD2 HIS B 558 11.846 4.405 1.386 1.00 2.10 H new ATOM 0 HE1 HIS B 558 12.754 6.356 5.043 1.00 2.93 H new ATOM 1286 N TRP B 559 10.924 -0.884 4.260 1.00 0.00 N ATOM 1287 CA TRP B 559 10.155 -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 -2.515 4.947 1.00 0.00 O ATOM 1290 CB TRP B 559 11.054 -3.128 5.232 1.00 0.02 C ATOM 1291 CG TRP B 559 12.186 -3.618 4.382 1.00 1.09 C ATOM 1292 CD1 TRP B 559 12.181 -4.709 3.563 1.00 2.27 C ATOM 1293 CD2 TRP B 559 13.490 -3.034 4.267 1.00 1.54 C ATOM 1294 NE1 TRP B 559 13.401 -4.841 2.945 1.00 2.97 N ATOM 1295 CE2 TRP B 559 14.222 -3.825 3.360 1.00 2.47 C ATOM 1296 CE3 TRP B 559 14.109 -1.921 4.841 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 15.539 -3.537 3.015 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 15.418 -1.636 4.499 1.00 2.76 C ATOM 1299 CH2 TRP B 559 16.120 -2.440 3.593 1.00 3.08 C ATOM 0 H TRP B 559 11.912 -0.949 4.504 1.00 0.00 H new ATOM 0 HA TRP B 559 9.838 -2.456 3.532 1.00 0.00 H new ATOM 0 HB2 TRP B 559 11.459 -2.670 6.134 1.00 0.02 H new ATOM 0 HB3 TRP B 559 10.452 -3.980 5.549 1.00 0.02 H new ATOM 0 HD1 TRP B 559 11.341 -5.372 3.421 1.00 2.27 H new ATOM 0 HE1 TRP B 559 13.655 -5.576 2.285 1.00 2.97 H new ATOM 0 HE3 TRP B 559 13.575 -1.294 5.540 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 16.083 -4.156 2.317 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 15.907 -0.779 4.938 1.00 2.76 H new ATOM 0 HH2 TRP B 559 17.141 -2.190 3.345 1.00 3.08 H new ATOM 1310 N LYS B 560 8.926 -1.243 6.438 1.00 0.00 N ATOM 1311 CA LYS B 560 7.765 -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 -0.680 6.711 1.00 0.00 O ATOM 1314 CB LYS B 560 8.138 -0.141 8.479 1.00 0.01 C ATOM 1315 CG LYS B 560 9.168 -0.773 9.400 1.00 1.26 C ATOM 1316 CD LYS B 560 9.368 0.049 10.664 1.00 1.83 C ATOM 1317 CE LYS B 560 10.309 -0.645 11.635 1.00 2.58 C ATOM 1318 NZ LYS B 560 11.680 -0.792 11.073 1.00 3.32 N ATOM 0 H LYS B 560 9.783 -0.806 6.776 1.00 0.00 H new ATOM 0 HA LYS B 560 7.423 -1.989 7.644 1.00 0.00 H new ATOM 0 HB2 LYS B 560 8.525 0.811 8.114 1.00 0.01 H new ATOM 0 HB3 LYS B 560 7.237 0.080 9.052 1.00 0.01 H new ATOM 0 HG2 LYS B 560 8.849 -1.780 9.667 1.00 1.26 H new ATOM 0 HG3 LYS B 560 10.118 -0.869 8.874 1.00 1.26 H new ATOM 0 HD2 LYS B 560 9.770 1.028 10.403 1.00 1.83 H new ATOM 0 HD3 LYS B 560 8.405 0.218 11.146 1.00 1.83 H new ATOM 0 HE2 LYS B 560 10.357 -0.076 12.563 1.00 2.58 H new ATOM 0 HE3 LYS B 560 9.912 -1.629 11.884 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 12.318 -1.161 11.807 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 11.657 -1.453 10.270 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 12.024 0.135 10.749 1.00 3.32 H new ATOM 1332 N PHE B 561 6.958 0.519 5.571 1.00 0.00 N ATOM 1333 CA PHE B 561 5.914 1.090 4.729 1.00 0.00 C ATOM 1334 C PHE B 561 5.432 0.092 3.656 1.00 0.00 C ATOM 1335 O PHE B 561 4.233 -0.060 3.440 1.00 0.00 O ATOM 1336 CB PHE B 561 6.401 2.377 4.062 1.00 0.03 C ATOM 1337 CG PHE B 561 5.287 3.335 3.746 1.00 0.40 C ATOM 1338 CD1 PHE B 561 4.379 3.053 2.738 1.00 0.95 C ATOM 1339 CD2 PHE B 561 5.154 4.522 4.449 1.00 0.98 C ATOM 1340 CE1 PHE B 561 3.357 3.937 2.439 1.00 1.18 C ATOM 1341 CE2 PHE B 561 4.137 5.410 4.153 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.216 5.100 3.175 1.00 1.14 C ATOM 0 H PHE B 561 7.904 0.854 5.389 1.00 0.00 H new ATOM 0 HA PHE B 561 5.069 1.321 5.378 1.00 0.00 H new ATOM 0 HB2 PHE B 561 7.120 2.869 4.717 1.00 0.03 H new ATOM 0 HB3 PHE B 561 6.928 2.125 3.142 1.00 0.03 H new ATOM 0 HD1 PHE B 561 4.470 2.133 2.179 1.00 0.95 H new ATOM 0 HD2 PHE B 561 5.854 4.756 5.238 1.00 0.98 H new ATOM 0 HE1 PHE B 561 2.671 3.720 1.633 1.00 1.18 H new ATOM 0 HE2 PHE B 561 4.064 6.346 4.687 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.386 5.764 2.984 1.00 1.14 H new ATOM 1352 N LEU B 562 6.374 -0.579 2.997 1.00 0.00 N ATOM 1353 CA LEU B 562 6.061 -1.621 2.038 1.00 0.00 C ATOM 1354 C LEU B 562 5.078 -2.619 2.643 1.00 0.00 C ATOM 1355 O LEU B 562 3.985 -2.805 2.117 1.00 0.00 O ATOM 1356 CB LEU B 562 7.334 -2.342 1.586 1.00 0.03 C ATOM 1357 CG LEU B 562 7.299 -2.890 0.156 1.00 0.45 C ATOM 1358 CD1 LEU B 562 8.667 -3.413 -0.248 1.00 1.32 C ATOM 1359 CD2 LEU B 562 6.250 -3.984 0.024 1.00 1.23 C ATOM 0 H LEU B 562 7.373 -0.412 3.117 1.00 0.00 H new ATOM 0 HA LEU B 562 5.600 -1.156 1.166 1.00 0.00 H new ATOM 0 HB2 LEU B 562 8.174 -1.653 1.674 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.527 -3.168 2.270 1.00 0.03 H new ATOM 0 HG LEU B 562 7.029 -2.075 -0.515 1.00 0.45 H new ATOM 0 HD11 LEU B 562 8.623 -3.798 -1.267 1.00 1.32 H new ATOM 0 HD12 LEU B 562 9.395 -2.604 -0.197 1.00 1.32 H new ATOM 0 HD13 LEU B 562 8.965 -4.213 0.430 1.00 1.32 H new ATOM 0 HD21 LEU B 562 6.242 -4.359 -0.999 1.00 1.23 H new ATOM 0 HD22 LEU B 562 6.487 -4.799 0.707 1.00 1.23 H new ATOM 0 HD23 LEU B 562 5.268 -3.578 0.269 1.00 1.23 H new ATOM 1371 N LYS B 563 5.467 -3.249 3.752 1.00 0.00 N ATOM 1372 CA LYS B 563 4.600 -4.215 4.444 1.00 0.00 C ATOM 1373 C LYS B 563 3.183 -3.693 4.717 1.00 0.00 C ATOM 1374 O LYS B 563 2.197 -4.431 4.606 1.00 0.00 O ATOM 1375 CB LYS B 563 5.246 -4.651 5.760 1.00 0.03 C ATOM 1376 CG LYS B 563 6.634 -5.260 5.599 1.00 1.29 C ATOM 1377 CD LYS B 563 6.630 -6.452 4.652 1.00 1.53 C ATOM 1378 CE LYS B 563 7.109 -6.065 3.261 1.00 2.10 C ATOM 1379 NZ LYS B 563 7.172 -7.241 2.350 1.00 2.74 N ATOM 0 H LYS B 563 6.376 -3.111 4.194 1.00 0.00 H new ATOM 0 HA LYS B 563 4.495 -5.063 3.767 1.00 0.00 H new ATOM 0 HB2 LYS B 563 5.314 -3.788 6.423 1.00 0.03 H new ATOM 0 HB3 LYS B 563 4.596 -5.377 6.248 1.00 0.03 H new ATOM 0 HG2 LYS B 563 7.321 -4.502 5.223 1.00 1.29 H new ATOM 0 HG3 LYS B 563 7.007 -5.573 6.574 1.00 1.29 H new ATOM 0 HD2 LYS B 563 7.271 -7.237 5.052 1.00 1.53 H new ATOM 0 HD3 LYS B 563 5.623 -6.864 4.589 1.00 1.53 H new ATOM 0 HE2 LYS B 563 6.438 -5.316 2.841 1.00 2.10 H new ATOM 0 HE3 LYS B 563 8.095 -5.606 3.331 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 7.774 -7.015 1.532 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 7.572 -8.054 2.860 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 6.214 -7.476 2.020 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.410 5.074 1.00 0.00 N ATOM 1394 CA THR B 564 1.834 -1.783 5.448 1.00 0.00 C ATOM 1395 C THR B 564 0.949 -1.595 4.220 1.00 0.00 C ATOM 1396 O THR B 564 -0.272 -1.766 4.273 1.00 0.00 O ATOM 1397 CB THR B 564 2.028 -0.428 6.160 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.917 0.409 5.415 1.00 1.17 O ATOM 1399 CG2 THR B 564 2.570 -0.629 7.568 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.781 5.111 1.00 0.00 H new ATOM 0 HA THR B 564 1.350 -2.456 6.155 1.00 0.00 H new ATOM 0 HB THR B 564 1.054 0.058 6.225 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.192 -0.053 4.596 1.00 1.17 H new ATOM 0 HG21 THR B 564 2.699 0.340 8.050 1.00 1.24 H new ATOM 0 HG22 THR B 564 1.869 -1.231 8.145 1.00 1.24 H new ATOM 0 HG23 THR B 564 3.532 -1.140 7.518 1.00 1.24 H new ATOM 1407 N VAL B 565 1.574 -1.224 3.117 1.00 0.00 N ATOM 1408 CA VAL B 565 0.882 -1.145 1.839 1.00 0.00 C ATOM 1409 C VAL B 565 0.350 -2.513 1.371 1.00 0.00 C ATOM 1410 O VAL B 565 -0.764 -2.604 0.859 1.00 0.00 O ATOM 1411 CB VAL B 565 1.801 -0.564 0.752 1.00 0.06 C ATOM 1412 CG1 VAL B 565 1.085 -0.521 -0.591 1.00 1.19 C ATOM 1413 CG2 VAL B 565 2.282 0.822 1.156 1.00 1.18 C ATOM 0 H VAL B 565 2.562 -0.972 3.079 1.00 0.00 H new ATOM 0 HA VAL B 565 0.029 -0.484 1.994 1.00 0.00 H new ATOM 0 HB VAL B 565 2.671 -1.213 0.647 1.00 0.06 H new ATOM 0 HG11 VAL B 565 1.753 -0.107 -1.346 1.00 1.19 H new ATOM 0 HG12 VAL B 565 0.792 -1.530 -0.880 1.00 1.19 H new ATOM 0 HG13 VAL B 565 0.196 0.105 -0.510 1.00 1.19 H new ATOM 0 HG21 VAL B 565 2.932 1.223 0.378 1.00 1.18 H new ATOM 0 HG22 VAL B 565 1.424 1.481 1.287 1.00 1.18 H new ATOM 0 HG23 VAL B 565 2.835 0.756 2.093 1.00 1.18 H new ATOM 1423 N VAL B 566 1.148 -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 -0.384 -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 1.941 -5.872 1.001 1.00 0.04 C ATOM 1428 CG1 VAL B 566 2.477 -6.210 2.382 1.00 1.36 C ATOM 1429 CG2 VAL B 566 1.531 -7.134 0.259 1.00 1.36 C ATOM 0 H VAL B 566 2.054 -3.527 2.016 1.00 0.00 H new ATOM 0 HA VAL B 566 0.404 -4.745 0.043 1.00 0.00 H new ATOM 0 HB VAL B 566 2.749 -5.386 0.454 1.00 0.04 H new ATOM 0 HG11 VAL B 566 3.308 -6.909 2.289 1.00 1.36 H new ATOM 0 HG12 VAL B 566 2.823 -5.299 2.871 1.00 1.36 H new ATOM 0 HG13 VAL B 566 1.686 -6.664 2.978 1.00 1.36 H new ATOM 0 HG21 VAL B 566 2.374 -7.824 0.221 1.00 1.36 H new ATOM 0 HG22 VAL B 566 0.698 -7.608 0.779 1.00 1.36 H new ATOM 0 HG23 VAL B 566 1.226 -6.877 -0.755 1.00 1.36 H new ATOM 1439 N ASN B 567 -0.204 -5.433 3.218 1.00 0.00 N ATOM 1440 CA ASN B 567 -1.296 -5.756 4.118 1.00 0.00 C ATOM 1441 C ASN B 567 -2.564 -4.942 3.802 1.00 0.00 C ATOM 1442 O ASN B 567 -3.673 -5.446 3.906 1.00 0.00 O ATOM 1443 CB ASN B 567 -0.873 -5.510 5.569 1.00 0.01 C ATOM 1444 CG ASN B 567 -1.951 -5.905 6.560 1.00 1.12 C ATOM 1445 OD1 ASN B 567 -1.994 -7.043 7.027 1.00 1.94 O ATOM 1446 ND2 ASN B 567 -2.825 -4.962 6.889 1.00 1.91 N ATOM 0 H ASN B 567 0.677 -5.204 3.677 1.00 0.00 H new ATOM 0 HA ASN B 567 -1.533 -6.810 3.977 1.00 0.00 H new ATOM 0 HB2 ASN B 567 0.035 -6.074 5.780 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -0.631 -4.455 5.700 1.00 0.01 H new ATOM 0 HD21 ASN B 567 -3.571 -5.167 7.554 1.00 1.91 H new ATOM 0 HD22 ASN B 567 -2.751 -4.032 6.477 1.00 1.91 H new ATOM 1453 N LYS B 568 -2.393 -3.680 3.422 1.00 0.00 N ATOM 1454 CA LYS B 568 -3.540 -2.831 3.119 1.00 0.00 C ATOM 1455 C LYS B 568 -4.157 -3.255 1.801 1.00 0.00 C ATOM 1456 O LYS B 568 -5.362 -3.143 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.107 -1.364 3.053 1.00 0.02 C ATOM 1458 CG LYS B 568 -4.251 -0.387 2.826 1.00 0.94 C ATOM 1459 CD LYS B 568 -4.913 0.022 4.134 1.00 1.74 C ATOM 1460 CE LYS B 568 -5.966 -0.982 4.572 1.00 2.68 C ATOM 1461 NZ LYS B 568 -7.066 -1.102 3.575 1.00 3.53 N ATOM 0 H LYS B 568 -1.485 -3.227 3.317 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.282 -2.939 3.910 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.601 -1.104 3.983 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -2.379 -1.247 2.250 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -3.876 0.500 2.316 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -4.993 -0.842 2.170 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -4.155 0.116 4.911 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -5.373 1.003 4.017 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -5.500 -1.957 4.718 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -6.379 -0.679 5.534 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -7.916 -1.480 4.040 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -7.277 -0.165 3.176 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -6.774 -1.745 2.812 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 -4.229 -0.392 1.00 0.00 C ATOM 1477 C LEU B 569 -4.584 -5.516 -0.158 1.00 0.00 C ATOM 1478 O LEU B 569 -5.572 -5.770 -0.841 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.591 -4.505 -1.325 1.00 0.05 C ATOM 1480 CG LEU B 569 -2.374 -3.470 -2.434 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -2.068 -2.100 -1.849 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -1.252 -3.917 -3.360 1.00 1.89 C ATOM 0 H LEU B 569 -2.307 -3.776 1.021 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.404 -3.478 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -1.683 -4.565 -0.725 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -2.734 -5.482 -1.786 1.00 0.05 H new ATOM 0 HG LEU B 569 -3.295 -3.391 -3.012 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -1.918 -1.384 -2.657 1.00 2.01 H new ATOM 0 HD12 LEU B 569 -2.902 -1.775 -1.227 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -1.164 -2.157 -1.243 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -1.108 -3.173 -4.143 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -0.330 -4.025 -2.789 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -1.513 -4.874 -3.812 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 1.146 1.00 0.00 C ATOM 1496 C PHE B 570 -6.244 -7.222 1.698 1.00 0.00 C ATOM 1497 O PHE B 570 -7.227 -7.900 1.395 1.00 0.00 O ATOM 1498 CB PHE B 570 -4.083 -8.383 2.166 1.00 0.02 C ATOM 1499 CG PHE B 570 -2.872 -9.069 1.593 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -2.968 -9.804 0.422 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -1.639 -8.973 2.220 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -1.859 -10.432 -0.111 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -0.527 -9.600 1.692 1.00 3.12 C ATOM 1504 CZ PHE B 570 -0.633 -10.340 0.544 1.00 3.77 C ATOM 0 H PHE B 570 -3.327 -6.145 1.378 1.00 0.00 H new ATOM 0 HA PHE B 570 -4.976 -8.143 0.236 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.768 -7.733 2.982 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -4.745 -9.135 2.595 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -3.921 -9.887 -0.080 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -1.547 -8.401 3.132 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -1.942 -10.992 -1.031 1.00 3.25 H new ATOM 0 HE2 PHE B 570 0.429 -9.506 2.186 1.00 3.12 H new ATOM 0 HZ PHE B 570 0.232 -10.851 0.148 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 -8.564 -5.413 1.870 1.00 0.00 C ATOM 1517 O GLU B 571 -9.660 -5.950 1.803 1.00 0.00 O ATOM 1518 CB GLU B 571 -7.420 -4.505 3.921 1.00 0.01 C ATOM 1519 CG GLU B 571 -8.624 -4.202 4.803 1.00 1.13 C ATOM 1520 CD GLU B 571 -9.835 -3.741 4.014 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -9.876 -2.555 3.628 1.00 1.97 O ATOM 1522 OE2 GLU B 571 -10.742 -4.568 3.782 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 -8.023 -6.545 3.618 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.546 -4.654 4.555 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -7.215 -3.638 3.294 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -8.885 -5.095 5.371 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -8.354 -3.432 5.526 1.00 1.13 H new ATOM 1529 N PHE B 572 -8.131 -4.553 0.952 1.00 0.00 N ATOM 1530 CA PHE B 572 -8.975 -4.132 -0.141 1.00 0.00 C ATOM 1531 C PHE B 572 -9.403 -5.282 -1.088 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.083 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.279 -3.042 -0.954 1.00 0.03 C ATOM 1534 CG PHE B 572 -8.387 -1.677 -0.337 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -9.603 -1.018 -0.289 1.00 1.03 C ATOM 1536 CD2 PHE B 572 -7.268 -1.056 0.195 1.00 1.02 C ATOM 1537 CE1 PHE B 572 -9.703 0.236 0.280 1.00 1.23 C ATOM 1538 CE2 PHE B 572 -7.361 0.198 0.764 1.00 1.21 C ATOM 1539 CZ PHE B 572 -8.592 0.847 0.800 1.00 0.99 C ATOM 0 H PHE B 572 -7.199 -4.139 0.951 1.00 0.00 H new ATOM 0 HA PHE B 572 -9.886 -3.750 0.319 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.226 -3.299 -1.066 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.709 -3.015 -1.955 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -10.483 -1.490 -0.701 1.00 1.03 H new ATOM 0 HD2 PHE B 572 -6.313 -1.559 0.164 1.00 1.02 H new ATOM 0 HE1 PHE B 572 -10.659 0.737 0.315 1.00 1.23 H new ATOM 0 HE2 PHE B 572 -6.484 0.673 1.179 1.00 1.21 H new ATOM 0 HZ PHE B 572 -8.671 1.831 1.237 1.00 0.99 H new ATOM 1549 N MET B 573 -8.817 -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 -8.156 -1.303 1.00 0.00 C ATOM 1552 O MET B 573 -11.112 -9.052 -1.930 1.00 0.00 O ATOM 1553 CB MET B 573 -8.115 -8.669 -1.749 1.00 0.03 C ATOM 1554 CG MET B 573 -6.821 -8.254 -2.430 1.00 0.87 C ATOM 1555 SD MET B 573 -5.568 -9.551 -2.387 1.00 1.42 S ATOM 1556 CE MET B 573 -4.228 -8.760 -3.276 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 -9.306 -7.244 -2.809 1.00 0.00 H new ATOM 0 HB2 MET B 573 -7.903 -8.929 -0.712 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.497 -9.569 -2.231 1.00 0.03 H new ATOM 0 HG2 MET B 573 -7.029 -7.989 -3.467 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.430 -7.360 -1.945 1.00 0.87 H new ATOM 0 HE1 MET B 573 -3.378 -9.440 -3.333 1.00 2.11 H new ATOM 0 HE2 MET B 573 -4.559 -8.508 -4.283 1.00 2.11 H new ATOM 0 HE3 MET B 573 -3.931 -7.851 -2.753 1.00 2.11 H new ATOM 1566 N HIS B 574 -10.995 -7.608 -0.191 1.00 0.00 N ATOM 1567 CA HIS B 574 -12.309 -7.938 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 -14.435 -6.875 0.562 1.00 0.00 O ATOM 1570 CB HIS B 574 -12.208 -8.333 1.802 1.00 0.02 C ATOM 1571 CG HIS B 574 -11.452 -9.604 2.033 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -12.034 -10.742 2.547 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -10.150 -9.914 1.819 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -11.126 -11.695 2.643 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -9.975 -11.219 2.205 1.00 3.20 N ATOM 0 H HIS B 574 -10.481 -6.929 0.370 1.00 0.00 H new ATOM 0 HA HIS B 574 -12.693 -8.779 -0.250 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -11.723 -7.527 2.353 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -13.213 -8.439 2.211 1.00 0.02 H new ATOM 0 HD1 HIS B 574 -13.015 -10.834 2.812 1.00 2.28 H new ATOM 0 HD2 HIS B 574 -9.392 -9.257 1.419 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -11.296 -12.694 3.016 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.671 -0.387 1.00 0.00 N ATOM 1585 CA GLU B 575 -13.613 -4.500 -0.647 1.00 0.00 C ATOM 1586 C GLU B 575 -14.619 -4.804 -1.743 1.00 0.00 C ATOM 1587 O GLU B 575 -14.261 -5.306 -2.811 1.00 0.00 O ATOM 1588 CB GLU B 575 -12.743 -3.306 -1.045 1.00 0.02 C ATOM 1589 CG GLU B 575 -13.537 -2.037 -1.314 1.00 0.96 C ATOM 1590 CD GLU B 575 -14.443 -1.662 -0.158 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -13.923 -1.202 0.880 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -15.673 -1.825 -0.291 1.00 1.55 O ATOM 0 H GLU B 575 -11.810 -5.565 -0.669 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.152 -4.246 0.266 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -12.022 -3.112 -0.251 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -12.173 -3.564 -1.937 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -12.848 -1.216 -1.512 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -14.138 -2.172 -2.213 1.00 0.96 H new ATOM 1599 N THR B 576 -15.881 -4.490 -1.486 1.00 0.00 N ATOM 1600 CA THR B 576 -16.917 -4.801 -2.450 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 -3.947 -4.570 1.00 0.00 O ATOM 1603 CB THR B 576 -18.263 -5.070 -1.751 1.00 0.00 C ATOM 1604 OG1 THR B 576 -18.678 -3.905 -1.027 1.00 1.33 O ATOM 1605 CG2 THR B 576 -18.153 -6.251 -0.800 1.00 1.40 C ATOM 0 H THR B 576 -16.204 -4.030 -0.635 1.00 0.00 H new ATOM 0 HA THR B 576 -16.575 -5.697 -2.968 1.00 0.00 H new ATOM 0 HB THR B 576 -19.004 -5.308 -2.515 1.00 0.00 H new ATOM 0 HG1 THR B 576 -19.535 -4.082 -0.586 1.00 1.33 H new ATOM 0 HG21 THR B 576 -19.116 -6.421 -0.318 1.00 1.40 H new ATOM 0 HG22 THR B 576 -17.864 -7.142 -1.358 1.00 1.40 H new ATOM 0 HG23 THR B 576 -17.400 -6.038 -0.041 1.00 1.40 H new ATOM 1613 N HIS B 577 -16.701 -2.475 -3.170 1.00 0.00 N ATOM 1614 CA HIS B 577 -16.953 -1.349 -4.069 1.00 0.00 C ATOM 1615 C HIS B 577 -16.317 -1.545 -5.451 1.00 0.00 C ATOM 1616 O HIS B 577 -15.130 -1.835 -5.574 1.00 0.00 O ATOM 1617 CB HIS B 577 -16.446 -0.044 -3.456 1.00 0.04 C ATOM 1618 CG HIS B 577 -16.934 1.171 -4.182 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -16.289 1.704 -5.279 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -18.021 1.951 -3.973 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -16.958 2.757 -5.713 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -18.013 2.927 -4.938 1.00 2.79 N ATOM 0 H HIS B 577 -16.195 -2.240 -2.316 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.033 -1.298 -4.204 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -16.764 0.010 -2.415 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -15.356 -0.048 -3.457 1.00 0.04 H new ATOM 0 HD2 HIS B 577 -18.757 1.828 -3.192 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -16.688 3.374 -6.558 1.00 2.85 H new ATOM 0 HE2 HIS B 577 -18.710 3.665 -5.040 1.00 2.79 H new ATOM 1631 N ASP B 578 -17.138 -1.382 -6.485 1.00 0.00 N ATOM 1632 CA ASP B 578 -16.760 -1.695 -7.859 1.00 0.00 C ATOM 1633 C ASP B 578 -15.362 -1.179 -8.232 1.00 0.00 C ATOM 1634 O ASP B 578 -15.059 -0.002 -8.049 1.00 0.00 O ATOM 1635 CB ASP B 578 -17.795 -1.117 -8.827 1.00 0.00 C ATOM 1636 CG ASP B 578 -17.492 -1.461 -10.273 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -17.910 -2.549 -10.722 1.00 2.04 O ATOM 1638 OD2 ASP B 578 -16.838 -0.645 -10.954 1.00 2.15 O ATOM 0 H ASP B 578 -18.090 -1.027 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.730 -2.782 -7.937 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -18.783 -1.496 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -17.829 -0.033 -8.714 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 -1.883 -8.243 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 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY B 579 -12.980 -2.326 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY B 579 -13.220 -0.681 -9.546 1.00 0.00 H new ATOM 1650 N VAL B 580 -12.299 -1.635 -6.966 1.00 0.00 N ATOM 1651 CA VAL B 580 -11.264 -1.661 -5.945 1.00 0.00 C ATOM 1652 C VAL B 580 -10.473 -2.961 -5.925 1.00 0.00 C ATOM 1653 O VAL B 580 -9.241 -2.942 -5.857 1.00 0.00 O ATOM 1654 CB VAL B 580 -11.861 -1.415 -4.545 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -10.793 -1.547 -3.470 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -12.519 -0.046 -4.483 1.00 1.29 C ATOM 0 H VAL B 580 -13.229 -1.412 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.576 -0.857 -6.205 1.00 0.00 H new ATOM 0 HB VAL B 580 -12.622 -2.173 -4.359 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -11.238 -1.369 -2.491 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -10.370 -2.551 -3.499 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -10.005 -0.816 -3.648 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -12.936 0.113 -3.488 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -11.777 0.724 -4.693 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -13.317 0.008 -5.224 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 -5.965 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 -6.118 -6.986 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.576 -6.510 -5.998 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.490 -6.525 -4.783 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.533 -7.626 -4.847 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -13.959 -8.152 -3.819 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -13.955 -7.978 -6.058 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 -9.950 -5.448 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -12.183 -6.400 -6.897 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -11.068 -7.472 -6.072 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -11.889 -6.652 -3.883 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -12.991 -5.561 -4.698 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -13.576 -7.516 -6.885 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -14.658 -8.710 -6.160 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 -9.473 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 -4.637 -10.710 1.00 0.00 C ATOM 1688 CG ASP B 582 -10.975 -5.598 -11.103 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -10.672 -6.607 -11.775 1.00 1.15 O ATOM 1690 OD2 ASP B 582 -12.142 -5.343 -10.739 1.00 2.23 O ATOM 0 H ASP B 582 -10.928 -4.813 -8.504 1.00 0.00 H new ATOM 0 HA ASP B 582 -8.733 -6.121 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.299 -3.654 -10.516 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -9.177 -4.524 -11.544 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 -7.012 -2.149 -8.291 1.00 0.00 C ATOM 1697 C MET B 583 -6.064 -2.836 -7.326 1.00 0.00 C ATOM 1698 O MET B 583 -4.845 -2.841 -7.538 1.00 0.00 O ATOM 1699 CB MET B 583 -7.545 -0.854 -7.677 1.00 0.02 C ATOM 1700 CG MET B 583 -8.403 -0.041 -8.633 1.00 1.14 C ATOM 1701 SD MET B 583 -7.507 0.447 -10.120 1.00 1.87 S ATOM 1702 CE MET B 583 -8.820 1.206 -11.072 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 -6.465 -1.903 -9.201 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.131 -1.095 -6.790 1.00 0.02 H new ATOM 0 HB3 MET B 583 -6.704 -0.244 -7.347 1.00 0.02 H new ATOM 0 HG2 MET B 583 -9.279 -0.625 -8.916 1.00 1.14 H new ATOM 0 HG3 MET B 583 -8.765 0.851 -8.122 1.00 1.14 H new ATOM 0 HE1 MET B 583 -8.422 1.560 -12.023 1.00 2.58 H new ATOM 0 HE2 MET B 583 -9.605 0.473 -11.257 1.00 2.58 H new ATOM 0 HE3 MET B 583 -9.233 2.048 -10.516 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.622 -3.418 -6.265 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.814 -4.059 -5.234 1.00 0.00 C ATOM 1714 C ALA B 584 -4.913 -5.143 -5.814 1.00 0.00 C ATOM 1715 O ALA B 584 -3.734 -5.231 -5.460 1.00 0.00 O ATOM 1716 CB ALA B 584 -6.712 -4.644 -4.154 1.00 0.03 C ATOM 0 H ALA B 584 -7.628 -3.458 -6.099 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.171 -3.296 -4.795 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.098 -5.120 -3.389 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.303 -3.848 -3.701 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.379 -5.384 -4.597 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 -3.636 -6.556 -8.267 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 -5.592 -8.072 -7.941 1.00 0.01 C ATOM 1727 SG CYS B 585 -6.445 -7.456 -9.410 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 -4.148 -7.519 -6.444 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -5.001 -8.946 -8.217 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -6.335 -8.405 -7.216 1.00 0.01 H new ATOM 0 HG CYS B 585 -6.519 -6.159 -9.357 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.027 -5.592 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.142 -5.025 -10.109 1.00 0.00 C ATOM 1735 C ASP B 586 -1.896 -4.397 -9.488 1.00 0.00 C ATOM 1736 O ASP B 586 -0.785 -4.635 -9.950 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.899 -3.985 -10.935 1.00 0.01 C ATOM 1738 CG ASP B 586 -3.081 -3.454 -12.095 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -2.769 -4.243 -13.010 1.00 0.87 O ATOM 1740 OD2 ASP B 586 -2.747 -2.250 -12.084 1.00 1.98 O ATOM 0 H ASP B 586 -4.963 -5.186 -9.092 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.810 -5.837 -10.755 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.818 -4.429 -11.317 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -4.189 -3.156 -10.290 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 -7.669 1.00 0.00 C ATOM 1747 C THR B 587 -0.170 -4.073 -7.031 1.00 0.00 C ATOM 1748 O THR B 587 1.061 -3.979 -7.012 1.00 0.00 O ATOM 1749 CB THR B 587 -1.574 -2.056 -6.584 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.572 -2.725 -5.803 1.00 1.24 O ATOM 1751 CG2 THR B 587 -2.166 -0.806 -7.214 1.00 1.30 C ATOM 0 H THR B 587 -3.035 -3.372 -8.089 1.00 0.00 H new ATOM 0 HA THR B 587 -0.429 -2.416 -8.361 1.00 0.00 H new ATOM 0 HB THR B 587 -0.747 -1.763 -5.937 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.423 -2.723 -6.289 1.00 1.24 H new ATOM 0 HG21 THR B 587 -2.544 -0.148 -6.431 1.00 1.30 H new ATOM 0 HG22 THR B 587 -1.396 -0.287 -7.785 1.00 1.30 H new ATOM 0 HG23 THR B 587 -2.983 -1.086 -7.879 1.00 1.30 H new ATOM 1759 N PHE B 588 -0.814 -5.108 -6.514 1.00 0.00 N ATOM 1760 CA PHE B 588 -0.097 -6.176 -5.828 1.00 0.00 C ATOM 1761 C PHE B 588 0.882 -6.873 -6.766 1.00 0.00 C ATOM 1762 O PHE B 588 1.940 -7.342 -6.345 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.087 -7.192 -5.251 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.431 -8.343 -4.541 1.00 0.16 C ATOM 1765 CD1 PHE B 588 0.004 -8.209 -3.232 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.245 -9.556 -5.184 1.00 0.45 C ATOM 1767 CE1 PHE B 588 0.608 -9.264 -2.577 1.00 0.49 C ATOM 1768 CE2 PHE B 588 0.360 -10.615 -4.533 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.779 -10.475 -3.231 1.00 0.53 C ATOM 0 H PHE B 588 -1.826 -5.233 -6.555 1.00 0.00 H new ATOM 0 HA PHE B 588 0.473 -5.730 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.754 -6.681 -4.556 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.706 -7.581 -6.059 1.00 0.02 H new ATOM 0 HD1 PHE B 588 -0.131 -7.269 -2.718 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -0.576 -9.676 -6.205 1.00 0.45 H new ATOM 0 HE1 PHE B 588 0.946 -9.146 -1.558 1.00 0.49 H new ATOM 0 HE2 PHE B 588 0.504 -11.553 -5.048 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.240 -11.306 -2.719 1.00 0.53 H new ATOM 1779 N ILE B 589 0.546 -6.952 -8.044 1.00 0.00 N ATOM 1780 CA ILE B 589 1.425 -7.698 -8.903 1.00 0.00 C ATOM 1781 C ILE B 589 2.627 -6.843 -9.280 1.00 0.00 C ATOM 1782 O ILE B 589 3.743 -7.345 -9.373 1.00 0.00 O ATOM 1783 CB ILE B 589 0.706 -8.170 -10.183 1.00 0.03 C ATOM 1784 CG1 ILE B 589 -0.524 -9.007 -9.822 1.00 1.34 C ATOM 1785 CG2 ILE B 589 1.657 -8.968 -11.063 1.00 1.31 C ATOM 1786 CD1 ILE B 589 -1.389 -9.361 -11.014 1.00 1.97 C ATOM 0 H ILE B 589 -0.276 -6.535 -8.481 1.00 0.00 H new ATOM 0 HA ILE B 589 1.754 -8.581 -8.355 1.00 0.00 H new ATOM 0 HB ILE B 589 0.376 -7.294 -10.741 1.00 0.03 H new ATOM 0 HG12 ILE B 589 -0.197 -9.926 -9.335 1.00 1.34 H new ATOM 0 HG13 ILE B 589 -1.126 -8.459 -9.097 1.00 1.34 H new ATOM 0 HG21 ILE B 589 1.134 -9.294 -11.962 1.00 1.31 H new ATOM 0 HG22 ILE B 589 2.505 -8.343 -11.343 1.00 1.31 H new ATOM 0 HG23 ILE B 589 2.014 -9.840 -10.515 1.00 1.31 H new ATOM 0 HD11 ILE B 589 -2.241 -9.954 -10.682 1.00 1.97 H new ATOM 0 HD12 ILE B 589 -1.746 -8.447 -11.489 1.00 1.97 H new ATOM 0 HD13 ILE B 589 -0.803 -9.937 -11.730 1.00 1.97 H new ATOM 1798 N LYS B 590 2.395 -5.545 -9.460 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 5.668 -4.884 -8.812 1.00 0.00 O ATOM 1802 CB LYS B 590 2.940 -3.182 -9.878 1.00 0.01 C ATOM 1803 CG LYS B 590 2.125 -2.959 -11.141 1.00 0.99 C ATOM 1804 CD LYS B 590 1.769 -1.494 -11.326 1.00 1.52 C ATOM 1805 CE LYS B 590 1.112 -1.247 -12.673 1.00 2.04 C ATOM 1806 NZ LYS B 590 -0.139 -2.038 -12.832 1.00 2.62 N ATOM 0 H LYS B 590 1.469 -5.120 -9.415 1.00 0.00 H new ATOM 0 HA LYS B 590 3.946 -4.864 -10.688 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.323 -2.947 -9.010 1.00 0.01 H new ATOM 0 HB3 LYS B 590 3.780 -2.488 -9.869 1.00 0.01 H new ATOM 0 HG2 LYS B 590 2.690 -3.309 -12.005 1.00 0.99 H new ATOM 0 HG3 LYS B 590 1.212 -3.553 -11.095 1.00 0.99 H new ATOM 0 HD2 LYS B 590 1.096 -1.178 -10.529 1.00 1.52 H new ATOM 0 HD3 LYS B 590 2.670 -0.886 -11.242 1.00 1.52 H new ATOM 0 HE2 LYS B 590 0.887 -0.186 -12.778 1.00 2.04 H new ATOM 0 HE3 LYS B 590 1.809 -1.505 -13.470 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 -0.602 -1.779 -13.727 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 0.090 -3.052 -12.842 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 -0.781 -1.836 -12.039 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 -6.165 1.00 0.00 C ATOM 1822 C ILE B 591 5.548 -5.936 -5.968 1.00 0.00 C ATOM 1823 O ILE B 591 6.730 -5.936 -5.631 1.00 0.00 O ATOM 1824 CB ILE B 591 3.936 -4.339 -4.911 1.00 0.04 C ATOM 1825 CG1 ILE B 591 3.247 -2.972 -5.028 1.00 1.27 C ATOM 1826 CG2 ILE B 591 4.791 -4.398 -3.652 1.00 1.28 C ATOM 1827 CD1 ILE B 591 4.210 -1.806 -5.136 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 5.522 -3.827 -6.298 1.00 0.00 H new ATOM 0 HB ILE B 591 3.168 -5.109 -4.840 1.00 0.04 H new ATOM 0 HG12 ILE B 591 2.598 -2.977 -5.904 1.00 1.27 H new ATOM 0 HG13 ILE B 591 2.607 -2.823 -4.158 1.00 1.27 H new ATOM 0 HG21 ILE B 591 4.169 -4.195 -2.780 1.00 1.28 H new ATOM 0 HG22 ILE B 591 5.234 -5.390 -3.559 1.00 1.28 H new ATOM 0 HG23 ILE B 591 5.583 -3.652 -3.715 1.00 1.28 H new ATOM 0 HD11 ILE B 591 3.648 -0.876 -5.215 1.00 1.96 H new ATOM 0 HD12 ILE B 591 4.843 -1.773 -4.249 1.00 1.96 H new ATOM 0 HD13 ILE B 591 4.833 -1.930 -6.022 1.00 1.96 H new ATOM 1839 N ALA B 592 4.879 -7.057 -6.187 1.00 0.00 N ATOM 1840 CA ALA B 592 5.545 -8.354 -6.071 1.00 0.00 C ATOM 1841 C ALA B 592 6.653 -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 4.528 -9.477 -6.199 1.00 0.00 C ATOM 0 H ALA B 592 3.892 -7.101 -6.442 1.00 0.00 H new ATOM 0 HA ALA B 592 6.011 -8.393 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.034 -10.438 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.783 -9.386 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.036 -9.413 -7.170 1.00 0.00 H new ATOM 1849 N GLN B 593 6.438 -8.063 -8.332 1.00 0.00 N ATOM 1850 CA GLN B 593 7.525 -8.106 -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 9.756 -7.732 -8.460 1.00 0.00 O ATOM 1853 CB GLN B 593 7.036 -7.624 -10.679 1.00 0.01 C ATOM 1854 CG GLN B 593 5.999 -8.539 -11.310 1.00 1.09 C ATOM 1855 CD GLN B 593 6.536 -9.931 -11.580 1.00 1.64 C ATOM 1856 OE1 GLN B 593 7.072 -10.204 -12.654 1.00 2.36 O ATOM 1857 NE2 GLN B 593 6.397 -10.820 -10.603 1.00 2.26 N ATOM 0 H GLN B 593 5.560 -7.666 -8.666 1.00 0.00 H new ATOM 0 HA GLN B 593 7.864 -9.137 -9.414 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.611 -6.626 -10.573 1.00 0.01 H new ATOM 0 HB3 GLN B 593 7.890 -7.538 -11.351 1.00 0.01 H new ATOM 0 HG2 GLN B 593 5.133 -8.609 -10.652 1.00 1.09 H new ATOM 0 HG3 GLN B 593 5.653 -8.099 -12.246 1.00 1.09 H new ATOM 0 HE21 GLN B 593 5.946 -10.551 -9.729 1.00 2.26 H new ATOM 0 HE22 GLN B 593 6.741 -11.772 -10.727 1.00 2.26 H new ATOM 1866 N LYS B 594 8.488 -5.926 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.502 -4.952 -8.485 1.00 0.00 C ATOM 1868 C LYS B 594 10.149 -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 8.921 -3.543 -8.614 1.00 0.01 C ATOM 1871 CG LYS B 594 8.904 -3.017 -10.042 1.00 0.52 C ATOM 1872 CD LYS B 594 7.932 -3.793 -10.918 1.00 1.21 C ATOM 1873 CE LYS B 594 7.953 -3.289 -12.351 1.00 1.59 C ATOM 1874 NZ LYS B 594 7.627 -1.838 -12.434 1.00 2.19 N ATOM 0 H LYS B 594 7.593 -5.510 -9.095 1.00 0.00 H new ATOM 0 HA LYS B 594 10.311 -5.140 -9.191 1.00 0.00 H new ATOM 0 HB2 LYS B 594 7.903 -3.542 -8.224 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.502 -2.862 -7.992 1.00 0.01 H new ATOM 0 HG2 LYS B 594 8.627 -1.963 -10.038 1.00 0.52 H new ATOM 0 HG3 LYS B 594 9.906 -3.082 -10.465 1.00 0.52 H new ATOM 0 HD2 LYS B 594 8.189 -4.852 -10.899 1.00 1.21 H new ATOM 0 HD3 LYS B 594 6.924 -3.703 -10.514 1.00 1.21 H new ATOM 0 HE2 LYS B 594 8.938 -3.465 -12.783 1.00 1.59 H new ATOM 0 HE3 LYS B 594 7.237 -3.857 -12.946 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 7.419 -1.585 -13.421 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 6.797 -1.634 -11.842 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 8.438 -1.280 -12.097 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 10.052 -5.877 -4.792 1.00 0.00 C ATOM 1890 C CYS B 595 10.209 -7.317 -4.326 1.00 0.00 C ATOM 1891 O CYS B 595 10.280 -7.598 -3.130 1.00 0.00 O ATOM 1892 CB CYS B 595 9.226 -5.085 -3.774 1.00 0.01 C ATOM 1893 SG CYS B 595 7.833 -5.992 -3.070 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 11.060 -5.469 -4.860 1.00 0.00 H new ATOM 0 HB2 CYS B 595 9.881 -4.765 -2.964 1.00 0.01 H new ATOM 0 HB3 CYS B 595 8.849 -4.182 -4.255 1.00 0.01 H new ATOM 0 HG CYS B 595 7.046 -6.389 -4.026 1.00 1.26 H new ATOM 1899 N ARG B 596 10.322 -8.219 -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 11.257 -10.139 -3.902 1.00 0.00 C ATOM 1902 O ARG B 596 10.905 -11.049 -3.146 1.00 0.00 O ATOM 1903 CB ARG B 596 10.655 -10.413 -6.315 1.00 0.01 C ATOM 1904 CG ARG B 596 10.597 -11.926 -6.169 1.00 1.21 C ATOM 1905 CD ARG B 596 11.044 -12.626 -7.441 1.00 1.42 C ATOM 1906 NE ARG B 596 10.199 -12.286 -8.583 1.00 2.09 N ATOM 1907 CZ ARG B 596 10.606 -12.359 -9.846 1.00 2.60 C ATOM 1908 NH1 ARG B 596 11.840 -12.755 -10.127 1.00 2.53 N ATOM 1909 NH2 ARG B 596 9.778 -12.037 -10.831 1.00 3.58 N ATOM 0 H ARG B 596 10.419 -7.979 -6.275 1.00 0.00 H new ATOM 0 HA ARG B 596 9.311 -9.877 -4.672 1.00 0.00 H new ATOM 0 HB2 ARG B 596 9.961 -10.105 -7.097 1.00 0.01 H new ATOM 0 HB3 ARG B 596 11.654 -10.126 -6.644 1.00 0.01 H new ATOM 0 HG2 ARG B 596 11.232 -12.237 -5.339 1.00 1.21 H new ATOM 0 HG3 ARG B 596 9.579 -12.230 -5.924 1.00 1.21 H new ATOM 0 HD2 ARG B 596 12.076 -12.353 -7.661 1.00 1.42 H new ATOM 0 HD3 ARG B 596 11.026 -13.705 -7.286 1.00 1.42 H new ATOM 0 HE ARG B 596 9.245 -11.976 -8.401 1.00 2.09 H new ATOM 0 HH11 ARG B 596 12.480 -13.005 -9.373 1.00 2.53 H new ATOM 0 HH12 ARG B 596 12.149 -12.810 -11.097 1.00 2.53 H new ATOM 0 HH21 ARG B 596 8.828 -11.733 -10.619 1.00 3.58 H new ATOM 0 HH22 ARG B 596 10.092 -12.093 -11.800 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.558 -3.791 1.00 0.00 N ATOM 1924 CA ARG B 597 13.428 -10.038 -2.801 1.00 0.00 C ATOM 1925 C ARG B 597 13.025 -9.746 -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 14.802 -9.426 -3.084 1.00 0.01 C ATOM 1928 CG ARG B 597 15.337 -9.749 -4.470 1.00 1.27 C ATOM 1929 CD ARG B 597 16.726 -9.169 -4.682 1.00 1.71 C ATOM 1930 NE ARG B 597 17.229 -9.431 -6.028 1.00 2.17 N ATOM 1931 CZ ARG B 597 18.478 -9.185 -6.410 1.00 2.92 C ATOM 1932 NH1 ARG B 597 19.352 -8.678 -5.550 1.00 3.29 N ATOM 1933 NH2 ARG B 597 18.856 -9.448 -7.654 1.00 3.74 N ATOM 0 H ARG B 597 12.767 -8.771 -4.359 1.00 0.00 H new ATOM 0 HA ARG B 597 13.466 -11.123 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG B 597 14.739 -8.344 -2.971 1.00 0.01 H new ATOM 0 HB3 ARG B 597 15.511 -9.784 -2.337 1.00 0.01 H new ATOM 0 HG2 ARG B 597 15.369 -10.830 -4.606 1.00 1.27 H new ATOM 0 HG3 ARG B 597 14.657 -9.353 -5.225 1.00 1.27 H new ATOM 0 HD2 ARG B 597 16.700 -8.093 -4.508 1.00 1.71 H new ATOM 0 HD3 ARG B 597 17.412 -9.594 -3.949 1.00 1.71 H new ATOM 0 HE ARG B 597 16.585 -9.825 -6.714 1.00 2.17 H new ATOM 0 HH11 ARG B 597 19.066 -8.476 -4.592 1.00 3.29 H new ATOM 0 HH12 ARG B 597 20.310 -8.491 -5.847 1.00 3.29 H new ATOM 0 HH21 ARG B 597 18.188 -9.839 -8.318 1.00 3.74 H new ATOM 0 HH22 ARG B 597 19.815 -9.259 -7.946 1.00 3.74 H new ATOM 1947 N HIS B 598 12.336 -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 -9.000 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 11.475 -6.692 0.040 1.00 0.02 C ATOM 1952 CG HIS B 598 12.380 -5.777 -0.727 1.00 0.83 C ATOM 1953 ND1 HIS B 598 13.166 -4.817 -0.124 1.00 1.71 N ATOM 1954 CD2 HIS B 598 12.617 -5.675 -2.056 1.00 1.62 C ATOM 1955 CE1 HIS B 598 13.847 -4.165 -1.050 1.00 2.14 C ATOM 1956 NE2 HIS B 598 13.532 -4.666 -2.229 1.00 2.04 N ATOM 0 H HIS B 598 12.002 -8.038 -1.956 1.00 0.00 H new ATOM 0 HA HIS B 598 12.897 -8.161 0.741 1.00 0.00 H new ATOM 0 HB2 HIS B 598 10.493 -6.699 -0.434 1.00 0.02 H new ATOM 0 HB3 HIS B 598 11.341 -6.296 1.046 1.00 0.02 H new ATOM 0 HD1 HIS B 598 13.214 -4.638 0.879 1.00 1.71 H new ATOM 0 HD2 HIS B 598 12.170 -6.275 -2.835 1.00 1.62 H new ATOM 0 HE1 HIS B 598 14.543 -3.359 -0.872 1.00 2.14 H new ATOM 1965 N PHE B 599 10.462 -10.003 0.091 1.00 0.00 N ATOM 1966 CA PHE B 599 9.401 -10.868 0.597 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 8.315 -11.069 -0.466 1.00 0.06 C ATOM 1970 CG PHE B 599 7.214 -10.046 -0.433 1.00 1.01 C ATOM 1971 CD1 PHE B 599 6.280 -10.048 0.592 1.00 1.94 C ATOM 1972 CD2 PHE B 599 7.103 -9.094 -1.433 1.00 1.40 C ATOM 1973 CE1 PHE B 599 5.259 -9.116 0.617 1.00 2.87 C ATOM 1974 CE2 PHE B 599 6.082 -8.163 -1.411 1.00 2.28 C ATOM 1975 CZ PHE B 599 5.160 -8.174 -0.384 1.00 2.95 C ATOM 0 H PHE B 599 10.786 -10.237 -0.847 1.00 0.00 H new ATOM 0 HA PHE B 599 8.962 -10.388 1.472 1.00 0.00 H new ATOM 0 HB2 PHE B 599 8.781 -11.051 -1.451 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.878 -12.059 -0.338 1.00 0.06 H new ATOM 0 HD1 PHE B 599 6.351 -10.785 1.378 1.00 1.94 H new ATOM 0 HD2 PHE B 599 7.822 -9.079 -2.239 1.00 1.40 H new ATOM 0 HE1 PHE B 599 4.539 -9.126 1.422 1.00 2.87 H new ATOM 0 HE2 PHE B 599 6.006 -7.427 -2.197 1.00 2.28 H new ATOM 0 HZ PHE B 599 4.363 -7.446 -0.365 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 2.344 1.00 0.00 O ATOM 1989 CB VAL B 600 12.401 -14.312 -0.656 1.00 0.01 C ATOM 1990 CG1 VAL B 600 11.276 -14.519 -1.661 1.00 1.42 C ATOM 1991 CG2 VAL B 600 13.461 -13.380 -1.221 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 11.093 -14.462 1.054 1.00 0.00 H new ATOM 0 HB VAL B 600 12.869 -15.276 -0.460 1.00 0.01 H new ATOM 0 HG11 VAL B 600 11.688 -14.904 -2.594 1.00 1.42 H new ATOM 0 HG12 VAL B 600 10.557 -15.233 -1.260 1.00 1.42 H new ATOM 0 HG13 VAL B 600 10.777 -13.568 -1.849 1.00 1.42 H new ATOM 0 HG21 VAL B 600 13.839 -13.786 -2.159 1.00 1.42 H new ATOM 0 HG22 VAL B 600 13.024 -12.398 -1.400 1.00 1.42 H new ATOM 0 HG23 VAL B 600 14.281 -13.287 -0.509 1.00 1.42 H new ATOM 2001 N GLN B 601 13.524 -12.455 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 13.993 -11.603 4.128 1.00 0.00 C ATOM 2004 O GLN B 601 13.165 -10.691 4.049 1.00 0.00 O ATOM 2005 CB GLN B 601 15.684 -11.408 2.297 1.00 0.01 C ATOM 2006 CG GLN B 601 16.338 -12.003 1.061 1.00 1.31 C ATOM 2007 CD GLN B 601 16.994 -13.341 1.336 1.00 1.73 C ATOM 2008 OE1 GLN B 601 16.364 -14.392 1.214 1.00 2.34 O ATOM 2009 NE2 GLN B 601 18.268 -13.311 1.709 1.00 2.31 N ATOM 0 H GLN B 601 13.270 -11.621 1.335 1.00 0.00 H new ATOM 0 HA GLN B 601 14.933 -13.248 3.141 1.00 0.00 H new ATOM 0 HB2 GLN B 601 15.292 -10.421 2.050 1.00 0.01 H new ATOM 0 HB3 GLN B 601 16.443 -11.267 3.066 1.00 0.01 H new ATOM 0 HG2 GLN B 601 15.587 -12.124 0.280 1.00 1.31 H new ATOM 0 HG3 GLN B 601 17.086 -11.308 0.680 1.00 1.31 H new ATOM 0 HE21 GLN B 601 18.753 -12.418 1.798 1.00 2.31 H new ATOM 0 HE22 GLN B 601 18.762 -14.181 1.907 1.00 2.31 H new ATOM 2018 N VAL B 602 14.445 -12.077 5.288 1.00 0.00 N ATOM 2019 CA VAL B 602 14.008 -11.533 6.566 1.00 0.00 C ATOM 2020 C VAL B 602 14.395 -10.072 6.625 1.00 0.00 C ATOM 2021 O VAL B 602 15.569 -9.735 6.461 1.00 0.00 O ATOM 2022 CB VAL B 602 14.644 -12.283 7.753 1.00 0.01 C ATOM 2023 CG1 VAL B 602 14.096 -11.759 9.072 1.00 1.37 C ATOM 2024 CG2 VAL B 602 14.409 -13.780 7.625 1.00 1.36 C ATOM 0 H VAL B 602 15.117 -12.840 5.365 1.00 0.00 H new ATOM 0 HA VAL B 602 12.927 -11.651 6.643 1.00 0.00 H new ATOM 0 HB VAL B 602 15.719 -12.105 7.738 1.00 0.01 H new ATOM 0 HG11 VAL B 602 14.557 -12.301 9.898 1.00 1.37 H new ATOM 0 HG12 VAL B 602 14.322 -10.697 9.164 1.00 1.37 H new ATOM 0 HG13 VAL B 602 13.016 -11.904 9.101 1.00 1.37 H new ATOM 0 HG21 VAL B 602 14.865 -14.294 8.472 1.00 1.36 H new ATOM 0 HG22 VAL B 602 13.338 -13.980 7.613 1.00 1.36 H new ATOM 0 HG23 VAL B 602 14.856 -14.141 6.698 1.00 1.36 H new ATOM 2034 N GLN B 603 13.399 -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 13.639 -8.053 9.227 1.00 0.00 O ATOM 2038 CB GLN B 603 12.392 -7.043 6.290 1.00 0.02 C ATOM 2039 CG GLN B 603 11.129 -7.283 7.101 1.00 1.20 C ATOM 2040 CD GLN B 603 9.960 -6.442 6.632 1.00 1.93 C ATOM 2041 OE1 GLN B 603 9.842 -6.124 5.449 1.00 2.58 O ATOM 2042 NE2 GLN B 603 9.087 -6.076 7.564 1.00 2.68 N ATOM 0 H GLN B 603 12.429 -9.488 6.978 1.00 0.00 H new ATOM 0 HA GLN B 603 14.489 -7.524 6.254 1.00 0.00 H new ATOM 0 HB2 GLN B 603 12.593 -5.972 6.250 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.227 -7.375 5.265 1.00 0.02 H new ATOM 0 HG2 GLN B 603 10.859 -8.337 7.041 1.00 1.20 H new ATOM 0 HG3 GLN B 603 11.330 -7.065 8.150 1.00 1.20 H new ATOM 0 HE21 GLN B 603 9.225 -6.363 8.533 1.00 2.68 H new ATOM 0 HE22 GLN B 603 8.279 -5.508 7.311 1.00 2.68 H new ATOM 2051 N VAL B 604 14.324 -6.066 8.465 1.00 0.00 N ATOM 2052 CA VAL B 604 14.675 -5.603 9.809 1.00 0.00 C ATOM 2053 C VAL B 604 13.453 -5.353 10.692 1.00 0.00 C ATOM 2054 O VAL B 604 12.528 -4.651 10.309 1.00 0.00 O ATOM 2055 CB VAL B 604 15.516 -4.312 9.753 1.00 0.01 C ATOM 2056 CG1 VAL B 604 16.908 -4.602 9.209 1.00 1.27 C ATOM 2057 CG2 VAL B 604 14.820 -3.255 8.910 1.00 1.27 C ATOM 0 H VAL B 604 14.466 -5.384 7.720 1.00 0.00 H new ATOM 0 HA VAL B 604 15.257 -6.410 10.253 1.00 0.00 H new ATOM 0 HB VAL B 604 15.619 -3.926 10.767 1.00 0.01 H new ATOM 0 HG11 VAL B 604 17.486 -3.678 9.177 1.00 1.27 H new ATOM 0 HG12 VAL B 604 17.409 -5.322 9.857 1.00 1.27 H new ATOM 0 HG13 VAL B 604 16.827 -5.014 8.203 1.00 1.27 H new ATOM 0 HG21 VAL B 604 15.430 -2.352 8.883 1.00 1.27 H new ATOM 0 HG22 VAL B 604 14.683 -3.631 7.896 1.00 1.27 H new ATOM 0 HG23 VAL B 604 13.848 -3.024 9.346 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 12.250 1.00 0.00 H new ATOM 0 HA2 GLY B 605 12.688 -5.816 13.805 1.00 0.00 H new ATOM 0 HA3 GLY B 605 11.797 -4.924 12.587 1.00 0.00 H new ATOM 2074 N GLU B 606 11.788 -8.000 11.795 1.00 0.00 N ATOM 2075 CA GLU B 606 10.968 -9.198 11.667 1.00 0.00 C ATOM 2076 C GLU B 606 11.816 -10.448 11.811 1.00 0.00 C ATOM 2077 O GLU B 606 13.028 -10.433 11.609 1.00 0.00 O ATOM 2078 CB GLU B 606 10.252 -9.200 10.313 1.00 0.02 C ATOM 2079 CG GLU B 606 9.228 -10.314 10.163 1.00 1.16 C ATOM 2080 CD GLU B 606 8.093 -10.204 11.161 1.00 1.64 C ATOM 2081 OE1 GLU B 606 8.219 -10.765 12.270 1.00 2.51 O ATOM 2082 OE2 GLU B 606 7.076 -9.557 10.834 1.00 1.84 O ATOM 0 H GLU B 606 12.640 -7.992 11.234 1.00 0.00 H new ATOM 0 HA GLU B 606 10.225 -9.194 12.464 1.00 0.00 H new ATOM 0 HB2 GLU B 606 9.754 -8.240 10.174 1.00 0.02 H new ATOM 0 HB3 GLU B 606 10.994 -9.292 9.520 1.00 0.02 H new ATOM 0 HG2 GLU B 606 8.821 -10.294 9.152 1.00 1.16 H new ATOM 0 HG3 GLU B 606 9.724 -11.277 10.288 1.00 1.16 H new ATOM 2089 N VAL B 607 11.152 -11.538 12.162 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 -13.797 11.303 1.00 0.00 C ATOM 2092 O VAL B 607 12.485 -14.712 11.186 1.00 0.00 O ATOM 2093 CB VAL B 607 11.253 -13.439 13.730 1.00 0.01 C ATOM 2094 CG1 VAL B 607 12.166 -14.552 14.220 1.00 1.40 C ATOM 2095 CG2 VAL B 607 11.054 -12.388 14.811 1.00 1.40 C ATOM 0 H VAL B 607 10.137 -11.572 12.258 1.00 0.00 H new ATOM 0 HA VAL B 607 12.870 -12.561 12.577 1.00 0.00 H new ATOM 0 HB VAL B 607 10.282 -13.876 13.497 1.00 0.01 H new ATOM 0 HG11 VAL B 607 11.751 -14.990 15.127 1.00 1.40 H new ATOM 0 HG12 VAL B 607 12.249 -15.320 13.451 1.00 1.40 H new ATOM 0 HG13 VAL B 607 13.154 -14.145 14.433 1.00 1.40 H new ATOM 0 HG21 VAL B 607 10.657 -12.861 15.709 1.00 1.40 H new ATOM 0 HG22 VAL B 607 12.010 -11.917 15.041 1.00 1.40 H new ATOM 0 HG23 VAL B 607 10.352 -11.632 14.459 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 -14.595 9.410 1.00 0.00 C ATOM 2107 C MET B 608 10.041 -13.938 8.078 1.00 0.00 C ATOM 2108 O MET B 608 9.351 -12.929 8.029 1.00 0.00 O ATOM 2109 CB MET B 608 9.217 -15.496 9.842 1.00 0.01 C ATOM 2110 CG MET B 608 7.949 -14.731 10.191 1.00 1.32 C ATOM 2111 SD MET B 608 6.701 -15.769 10.977 1.00 2.02 S ATOM 2112 CE MET B 608 6.441 -17.015 9.716 1.00 2.68 C ATOM 0 H MET B 608 10.029 -12.823 10.489 1.00 0.00 H new ATOM 0 HA MET B 608 11.280 -15.184 9.262 1.00 0.00 H new ATOM 0 HB2 MET B 608 8.997 -16.201 9.040 1.00 0.01 H new ATOM 0 HB3 MET B 608 9.527 -16.083 10.707 1.00 0.01 H new ATOM 0 HG2 MET B 608 8.200 -13.905 10.857 1.00 1.32 H new ATOM 0 HG3 MET B 608 7.532 -14.294 9.284 1.00 1.32 H new ATOM 0 HE1 MET B 608 5.564 -17.611 9.969 1.00 2.68 H new ATOM 0 HE2 MET B 608 6.285 -16.530 8.752 1.00 2.68 H new ATOM 0 HE3 MET B 608 7.316 -17.663 9.659 1.00 2.68 H new ATOM 2122 N PRO B 609 10.503 -14.538 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 5.432 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 10.730 -15.084 4.693 1.00 0.01 C ATOM 2127 CG PRO B 609 11.012 -16.281 5.546 1.00 0.43 C ATOM 2128 CD PRO B 609 11.311 -15.762 6.921 1.00 0.02 C ATOM 0 HA PRO B 609 10.700 -13.028 5.499 1.00 0.00 H new ATOM 0 HB2 PRO B 609 9.985 -15.314 3.931 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.629 -14.756 4.171 1.00 0.01 H new ATOM 0 HG2 PRO B 609 10.156 -16.955 5.563 1.00 0.43 H new ATOM 0 HG3 PRO B 609 11.856 -16.848 5.153 1.00 0.43 H new ATOM 0 HD2 PRO B 609 11.027 -16.476 7.694 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.373 -15.554 7.054 1.00 0.02 H new ATOM 2136 N PHE B 610 8.362 -12.550 4.949 1.00 0.00 N ATOM 2137 CA PHE B 610 6.959 -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 4.971 -13.345 4.186 1.00 0.00 O ATOM 2140 CB PHE B 610 6.844 -10.738 4.245 1.00 0.01 C ATOM 2141 CG PHE B 610 5.524 -10.091 4.552 1.00 0.79 C ATOM 2142 CD1 PHE B 610 4.446 -10.248 3.698 1.00 1.65 C ATOM 2143 CD2 PHE B 610 5.360 -9.333 5.701 1.00 0.80 C ATOM 2144 CE1 PHE B 610 3.228 -9.659 3.981 1.00 2.37 C ATOM 2145 CE2 PHE B 610 4.145 -8.741 5.989 1.00 1.48 C ATOM 2146 CZ PHE B 610 3.077 -8.904 5.128 1.00 2.25 C ATOM 0 H PHE B 610 9.029 -11.843 4.640 1.00 0.00 H new ATOM 0 HA PHE B 610 6.531 -12.157 5.820 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.648 -10.121 4.646 1.00 0.01 H new ATOM 0 HB3 PHE B 610 6.982 -10.778 3.164 1.00 0.01 H new ATOM 0 HD1 PHE B 610 4.558 -10.838 2.800 1.00 1.65 H new ATOM 0 HD2 PHE B 610 6.191 -9.204 6.379 1.00 0.80 H new ATOM 0 HE1 PHE B 610 2.395 -9.789 3.306 1.00 2.37 H new ATOM 0 HE2 PHE B 610 4.030 -8.151 6.887 1.00 1.48 H new ATOM 0 HZ PHE B 610 2.126 -8.442 5.351 1.00 2.25 H new ATOM 2156 N ILE B 611 6.821 -13.749 2.966 1.00 0.00 N ATOM 2157 CA ILE B 611 6.181 -14.734 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.443 -15.793 2.937 1.00 0.00 C ATOM 2159 O ILE B 611 4.299 -16.152 2.638 1.00 0.00 O ATOM 2160 CB ILE B 611 7.205 -15.427 1.173 1.00 0.02 C ATOM 2161 CG1 ILE B 611 6.525 -16.516 0.339 1.00 1.20 C ATOM 2162 CG2 ILE B 611 8.352 -16.006 1.988 1.00 1.20 C ATOM 2163 CD1 ILE B 611 7.424 -17.126 -0.716 1.00 1.84 C ATOM 0 H ILE B 611 7.804 -13.579 2.752 1.00 0.00 H new ATOM 0 HA ILE B 611 5.463 -14.201 1.475 1.00 0.00 H new ATOM 0 HB ILE B 611 7.614 -14.683 0.490 1.00 0.02 H new ATOM 0 HG12 ILE B 611 6.174 -17.305 1.004 1.00 1.20 H new ATOM 0 HG13 ILE B 611 5.645 -16.093 -0.146 1.00 1.20 H new ATOM 0 HG21 ILE B 611 9.064 -16.491 1.320 1.00 1.20 H new ATOM 0 HG22 ILE B 611 8.852 -15.205 2.533 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.962 -16.738 2.696 1.00 1.20 H new ATOM 0 HD11 ILE B 611 6.873 -17.889 -1.266 1.00 1.84 H new ATOM 0 HD12 ILE B 611 7.755 -16.349 -1.405 1.00 1.84 H new ATOM 0 HD13 ILE B 611 8.292 -17.579 -0.237 1.00 1.84 H new ATOM 2175 N ASP B 612 6.113 -16.267 3.985 1.00 0.00 N ATOM 2176 CA ASP B 612 5.564 -17.234 4.919 1.00 0.00 C ATOM 2177 C ASP B 612 4.186 -16.838 5.440 1.00 0.00 C ATOM 2178 O ASP B 612 3.240 -17.629 5.394 1.00 0.00 O ATOM 2179 CB ASP B 612 6.523 -17.433 6.094 1.00 0.01 C ATOM 2180 CG ASP B 612 7.775 -18.185 5.695 1.00 1.14 C ATOM 2181 OD1 ASP B 612 8.393 -17.813 4.676 1.00 1.26 O ATOM 2182 OD2 ASP B 612 8.145 -19.142 6.407 1.00 2.15 O ATOM 0 H ASP B 612 7.067 -15.983 4.208 1.00 0.00 H new ATOM 0 HA ASP B 612 5.445 -18.169 4.371 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.801 -16.461 6.502 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.012 -17.978 6.888 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.621 5.948 1.00 0.00 N ATOM 2188 CA GLU B 613 2.782 -15.154 6.458 1.00 0.00 C ATOM 2189 C GLU B 613 1.740 -15.176 5.355 1.00 0.00 C ATOM 2190 O GLU B 613 0.561 -15.493 5.594 1.00 0.00 O ATOM 2191 CB GLU B 613 2.919 -13.739 7.027 1.00 0.01 C ATOM 2192 CG GLU B 613 1.610 -13.151 7.531 1.00 1.17 C ATOM 2193 CD GLU B 613 1.781 -11.760 8.108 1.00 1.82 C ATOM 2194 OE1 GLU B 613 1.678 -10.781 7.339 1.00 2.66 O ATOM 2195 OE2 GLU B 613 2.020 -11.648 9.330 1.00 2.11 O ATOM 0 H GLU B 613 4.827 -14.946 6.019 1.00 0.00 H new ATOM 0 HA GLU B 613 2.461 -15.822 7.257 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.639 -13.755 7.846 1.00 0.01 H new ATOM 0 HB3 GLU B 613 3.327 -13.085 6.256 1.00 0.01 H new ATOM 0 HG2 GLU B 613 0.893 -13.115 6.711 1.00 1.17 H new ATOM 0 HG3 GLU B 613 1.190 -13.808 8.293 1.00 1.17 H new ATOM 2202 N ILE B 614 2.168 -14.839 4.143 1.00 0.00 N ATOM 2203 CA ILE B 614 1.253 -14.856 3.012 1.00 0.00 C ATOM 2204 C ILE B 614 0.745 -16.286 2.699 1.00 0.00 C ATOM 2205 O ILE B 614 -0.444 -16.498 2.536 1.00 0.00 O ATOM 2206 CB ILE B 614 1.919 -14.278 1.747 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.450 -12.869 2.023 1.00 1.10 C ATOM 2208 CG2 ILE B 614 0.932 -14.262 0.588 1.00 1.11 C ATOM 2209 CD1 ILE B 614 3.266 -12.292 0.885 1.00 1.76 C ATOM 0 H ILE B 614 3.123 -14.556 3.922 1.00 0.00 H new ATOM 0 HA ILE B 614 0.404 -14.235 3.296 1.00 0.00 H new ATOM 0 HB ILE B 614 2.760 -14.915 1.473 1.00 0.05 H new ATOM 0 HG12 ILE B 614 1.609 -12.207 2.227 1.00 1.10 H new ATOM 0 HG13 ILE B 614 3.064 -12.892 2.923 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.417 -13.851 -0.297 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.598 -15.279 0.380 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.073 -13.645 0.850 1.00 1.11 H new ATOM 0 HD11 ILE B 614 3.608 -11.292 1.153 1.00 1.76 H new ATOM 0 HD12 ILE B 614 4.128 -12.932 0.694 1.00 1.76 H new ATOM 0 HD13 ILE B 614 2.650 -12.236 -0.013 1.00 1.76 H new ATOM 2221 N LEU B 615 1.670 -17.240 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.306 1.00 0.00 C ATOM 2223 C LEU B 615 0.436 -19.287 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 2.646 -19.442 2.177 1.00 0.01 C ATOM 2226 CG LEU B 615 2.464 -20.898 1.740 1.00 1.09 C ATOM 2227 CD1 LEU B 615 1.836 -20.970 0.356 1.00 1.70 C ATOM 2228 CD2 LEU B 615 3.798 -21.629 1.761 1.00 1.84 C ATOM 0 H LEU B 615 2.661 -17.072 2.807 1.00 0.00 H new ATOM 0 HA LEU B 615 0.821 -18.618 1.356 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.298 -18.944 1.460 1.00 0.01 H new ATOM 0 HB3 LEU B 615 3.161 -19.430 3.138 1.00 0.01 H new ATOM 0 HG LEU B 615 1.791 -21.387 2.445 1.00 1.09 H new ATOM 0 HD11 LEU B 615 1.716 -22.013 0.065 1.00 1.70 H new ATOM 0 HD12 LEU B 615 0.861 -20.483 0.373 1.00 1.70 H new ATOM 0 HD13 LEU B 615 2.481 -20.465 -0.363 1.00 1.70 H new ATOM 0 HD21 LEU B 615 3.651 -22.663 1.448 1.00 1.84 H new ATOM 0 HD22 LEU B 615 4.493 -21.138 1.079 1.00 1.84 H new ATOM 0 HD23 LEU B 615 4.207 -21.610 2.771 1.00 1.84 H new ATOM 2240 N ASN B 616 0.544 -18.867 4.581 1.00 0.00 N ATOM 2241 CA ASN B 616 -0.278 -19.433 5.644 1.00 0.00 C ATOM 2242 C ASN B 616 -1.712 -18.884 5.706 1.00 0.00 C ATOM 2243 O ASN B 616 -2.500 -19.269 6.569 1.00 0.00 O ATOM 2244 CB ASN B 616 0.400 -19.206 6.996 1.00 0.02 C ATOM 2245 CG ASN B 616 1.748 -19.891 7.094 1.00 1.19 C ATOM 2246 OD1 ASN B 616 1.976 -20.932 6.477 1.00 2.06 O ATOM 2247 ND2 ASN B 616 2.652 -19.309 7.876 1.00 1.95 N ATOM 0 H ASN B 616 1.190 -18.139 4.887 1.00 0.00 H new ATOM 0 HA ASN B 616 -0.366 -20.494 5.412 1.00 0.00 H new ATOM 0 HB2 ASN B 616 0.528 -18.136 7.159 1.00 0.02 H new ATOM 0 HB3 ASN B 616 -0.249 -19.574 7.790 1.00 0.02 H new ATOM 0 HD21 ASN B 616 3.577 -19.725 7.983 1.00 1.95 H new ATOM 0 HD22 ASN B 616 2.420 -18.447 8.369 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 4.761 1.00 0.00 C ATOM 2256 C ASN B 617 -3.876 -17.109 3.367 1.00 0.00 C ATOM 2257 O ASN B 617 -4.772 -16.273 3.170 1.00 0.00 O ATOM 2258 CB ASN B 617 -3.193 -15.965 5.515 1.00 0.03 C ATOM 2259 CG ASN B 617 -2.848 -14.771 4.638 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -3.163 -13.632 4.984 1.00 1.96 O ATOM 2261 ND2 ASN B 617 -2.205 -15.016 3.507 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 -4.031 -17.934 5.283 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -4.136 -15.765 6.024 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -2.429 -16.065 6.286 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -1.953 -14.247 2.887 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -1.962 -15.974 3.256 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 -5.341 -17.583 0.990 1.00 0.00 C ATOM 2271 O ILE B 618 -5.922 -16.676 0.393 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.322 -18.745 0.076 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -3.602 -20.130 0.668 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -1.836 -18.567 -0.200 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -3.294 -21.269 -0.279 1.00 2.01 C ATOM 0 H ILE B 618 -2.645 -18.564 2.517 1.00 0.00 H new ATOM 0 HA ILE B 618 -3.413 -16.688 0.681 1.00 0.00 H new ATOM 0 HB ILE B 618 -3.861 -18.666 -0.868 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -3.011 -20.254 1.576 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -4.651 -20.185 0.960 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -1.494 -19.355 -0.871 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -1.666 -17.596 -0.664 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -1.283 -18.623 0.737 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -3.517 -22.218 0.209 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -3.904 -21.171 -1.177 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -2.239 -21.240 -0.552 1.00 2.01 H new ATOM 2287 N ASN B 619 -5.976 -18.537 1.658 1.00 0.00 N ATOM 2288 CA ASN B 619 -7.422 -18.615 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.120 -17.401 2.222 1.00 0.00 C ATOM 2290 O ASN B 619 -8.976 -16.783 1.589 1.00 0.00 O ATOM 2291 CB ASN B 619 -7.893 -19.883 2.332 1.00 0.01 C ATOM 2292 CG ASN B 619 -7.375 -19.972 3.754 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -6.295 -20.508 4.001 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -8.146 -19.447 4.697 1.00 2.18 N ATOM 0 H ASN B 619 -5.519 -19.253 2.223 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.697 -18.640 0.564 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -8.983 -19.907 2.343 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -7.561 -20.757 1.772 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -7.851 -19.478 5.673 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -9.034 -19.012 4.446 1.00 2.18 H new ATOM 2301 N THR B 620 -7.736 -17.027 3.435 1.00 0.00 N ATOM 2302 CA THR B 620 -8.360 -15.873 4.060 1.00 0.00 C ATOM 2303 C THR B 620 -8.211 -14.640 3.185 1.00 0.00 C ATOM 2304 O THR B 620 -9.097 -13.802 3.160 1.00 0.00 O ATOM 2305 CB THR B 620 -7.755 -15.584 5.446 1.00 0.02 C ATOM 2306 OG1 THR B 620 -6.340 -15.393 5.333 1.00 1.27 O ATOM 2307 CG2 THR B 620 -8.043 -16.724 6.412 1.00 1.32 C ATOM 0 H THR B 620 -7.017 -17.491 3.991 1.00 0.00 H new ATOM 0 HA THR B 620 -9.417 -16.109 4.182 1.00 0.00 H new ATOM 0 HB THR B 620 -8.214 -14.675 5.835 1.00 0.02 H new ATOM 0 HG1 THR B 620 -6.045 -15.657 4.436 1.00 1.27 H new ATOM 0 HG21 THR B 620 -7.606 -16.496 7.384 1.00 1.32 H new ATOM 0 HG22 THR B 620 -9.121 -16.847 6.519 1.00 1.32 H new ATOM 0 HG23 THR B 620 -7.609 -17.646 6.026 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.110 -14.545 2.430 1.00 0.00 N ATOM 2316 CA ILE B 621 -6.884 -13.379 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 -5.388 -13.109 1.298 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -4.737 -14.279 0.567 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -4.657 -12.814 2.597 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -3.329 -13.992 0.092 1.00 2.00 C ATOM 0 H ILE B 621 -6.374 -15.251 2.393 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.292 -12.569 2.183 1.00 0.00 H new ATOM 0 HB ILE B 621 -5.318 -12.237 0.648 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -4.718 -15.145 1.229 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -5.353 -14.548 -0.291 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -3.604 -12.625 2.387 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -5.096 -11.935 3.070 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -4.746 -13.669 3.267 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -2.931 -14.869 -0.418 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -3.342 -13.147 -0.596 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -2.698 -13.753 0.948 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 -8.390 -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 -10.588 -14.712 -2.678 1.00 0.00 O ATOM 2338 CB ILE B 622 -7.752 -15.564 -2.677 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -7.877 -16.973 -2.089 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -6.294 -15.211 -2.934 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -7.381 -18.067 -3.010 1.00 2.09 C ATOM 0 H ILE B 622 -7.310 -15.406 -0.135 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.266 -13.515 -2.108 1.00 0.00 H new ATOM 0 HB ILE B 622 -8.282 -15.545 -3.629 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -7.318 -17.017 -1.154 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -8.922 -17.163 -1.845 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -5.854 -15.949 -3.604 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -6.234 -14.224 -3.392 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -5.749 -15.207 -1.990 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -7.502 -19.035 -2.524 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -7.956 -18.052 -3.936 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -6.327 -17.903 -3.235 1.00 2.09 H new ATOM 2353 N CYS B 623 -10.385 -15.122 -0.472 1.00 0.00 N ATOM 2354 CA CYS B 623 -11.812 -15.424 -0.205 1.00 0.00 C ATOM 2355 C CYS B 623 -12.806 -14.927 -1.220 1.00 0.00 C ATOM 2356 O CYS B 623 -13.595 -15.692 -1.776 1.00 0.00 O ATOM 2357 CB CYS B 623 -12.202 -14.873 1.167 1.00 0.01 C ATOM 2358 SG CYS B 623 -11.518 -15.797 2.561 1.00 1.47 S ATOM 0 H CYS B 623 -9.799 -15.181 0.361 1.00 0.00 H new ATOM 0 HA CYS B 623 -11.869 -16.511 -0.257 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -11.872 -13.836 1.236 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -13.289 -14.868 1.248 1.00 0.01 H new ATOM 0 HG CYS B 623 -10.539 -16.545 2.147 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.612 -1.404 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.836 -12.879 -2.056 1.00 0.00 C ATOM 2366 C ASP B 624 -13.490 -12.596 -3.497 1.00 0.00 C ATOM 2367 O ASP B 624 -14.323 -12.081 -4.247 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.110 -11.569 -1.315 1.00 0.01 C ATOM 2369 CG ASP B 624 -14.630 -11.799 0.090 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -13.814 -12.119 0.980 1.00 2.07 O ATOM 2371 OD2 ASP B 624 -15.853 -11.657 0.300 1.00 1.01 O ATOM 0 H ASP B 624 -12.004 -13.024 -1.096 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.736 -13.494 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -13.193 -10.982 -1.269 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -14.836 -10.982 -1.877 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.252 -12.907 -3.882 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.756 -12.555 -5.211 1.00 0.00 C ATOM 2378 C LEU B 625 -12.404 -13.419 -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 -10.234 -12.713 -5.271 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.433 -11.616 -4.566 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -9.721 -11.615 -3.074 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -7.944 -11.797 -4.824 1.00 1.67 C ATOM 0 H LEU B 625 -11.578 -13.399 -3.296 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.024 -11.514 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.968 -13.674 -4.831 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.930 -12.746 -6.317 1.00 0.06 H new ATOM 0 HG LEU B 625 -9.739 -10.652 -4.972 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -9.141 -10.828 -2.592 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -10.783 -11.436 -2.909 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -9.445 -12.580 -2.650 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -7.388 -11.009 -4.316 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -7.625 -12.768 -4.446 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -7.751 -11.744 -5.896 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.603 -12.839 -7.492 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.106 -13.585 -8.647 1.00 0.00 C ATOM 2397 C GLN B 626 -11.974 -14.416 -9.224 1.00 0.00 C ATOM 2398 O GLN B 626 -10.806 -14.132 -8.969 1.00 0.00 O ATOM 2399 CB GLN B 626 -13.656 -12.620 -9.702 1.00 0.01 C ATOM 2400 CG GLN B 626 -14.847 -11.807 -9.221 1.00 0.94 C ATOM 2401 CD GLN B 626 -15.361 -10.847 -10.275 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -16.227 -11.194 -11.079 1.00 2.35 O ATOM 2403 NE2 GLN B 626 -14.830 -9.629 -10.277 1.00 2.33 N ATOM 0 H GLN B 626 -12.423 -11.852 -7.677 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.917 -14.243 -8.336 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -12.862 -11.939 -10.009 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -13.947 -13.188 -10.585 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -15.650 -12.484 -8.929 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -14.563 -11.246 -8.331 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -14.115 -9.383 -9.593 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -15.138 -8.940 -10.963 1.00 2.33 H new ATOM 2412 N PRO B 627 -12.303 -15.426 -10.033 1.00 0.00 N ATOM 2413 CA PRO B 627 -11.275 -16.305 -10.609 1.00 0.00 C ATOM 2414 C PRO B 627 -10.074 -15.600 -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 -12.041 -17.100 -11.681 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.393 -16.468 -11.783 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.653 -15.813 -10.459 1.00 0.01 C ATOM 0 HA PRO B 627 -10.821 -16.902 -9.818 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.521 -17.063 -12.638 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -12.122 -18.151 -11.402 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -13.420 -15.736 -12.591 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -14.156 -17.215 -12.004 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.313 -14.950 -10.554 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.123 -16.497 -9.752 1.00 0.01 H new ATOM 2426 N GLN B 628 -10.336 -14.549 -12.003 1.00 0.00 N ATOM 2427 CA GLN B 628 -9.275 -13.892 -12.733 1.00 0.00 C ATOM 2428 C GLN B 628 -8.314 -13.216 -11.747 1.00 0.00 C ATOM 2429 O GLN B 628 -7.088 -13.318 -11.878 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.844 -12.855 -13.704 1.00 0.01 C ATOM 2431 CG GLN B 628 -10.619 -13.464 -14.862 1.00 1.30 C ATOM 2432 CD GLN B 628 -11.948 -14.056 -14.434 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -12.414 -15.041 -15.008 1.00 2.62 O ATOM 2434 NE2 GLN B 628 -12.572 -13.454 -13.429 1.00 2.58 N ATOM 0 H GLN B 628 -11.262 -14.141 -12.128 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.735 -14.641 -13.312 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -10.499 -12.178 -13.156 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -9.026 -12.255 -14.102 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -10.794 -12.699 -15.618 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -10.014 -14.241 -15.329 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -12.150 -12.640 -12.981 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -13.473 -13.805 -13.105 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.880 -12.562 -10.739 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.098 -11.896 -9.709 1.00 0.00 C ATOM 2445 C GLN B 629 -7.270 -12.898 -8.924 1.00 0.00 C ATOM 2446 O GLN B 629 -6.118 -12.627 -8.557 1.00 0.00 O ATOM 2447 CB GLN B 629 -9.015 -11.125 -8.754 1.00 0.01 C ATOM 2448 CG GLN B 629 -10.262 -10.558 -9.419 1.00 0.49 C ATOM 2449 CD GLN B 629 -9.948 -9.651 -10.593 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -10.715 -9.572 -11.552 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -8.821 -8.954 -10.521 1.00 2.06 N ATOM 0 H GLN B 629 -9.889 -12.480 -10.615 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.424 -11.195 -10.202 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -9.317 -11.787 -7.942 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.451 -10.307 -8.305 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -10.891 -11.380 -9.761 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -10.839 -10.001 -8.681 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -8.213 -9.049 -9.707 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -8.562 -8.323 -11.279 1.00 2.06 H new ATOM 2460 N VAL B 630 -7.846 -14.068 -8.664 1.00 0.00 N ATOM 2461 CA VAL B 630 -7.110 -15.132 -7.975 1.00 0.00 C ATOM 2462 C VAL B 630 -5.861 -15.524 -8.767 1.00 0.00 C ATOM 2463 O VAL B 630 -5.988 -16.340 -9.705 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.989 -16.380 -7.755 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -7.194 -17.489 -7.081 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -9.217 -16.028 -6.932 1.00 1.30 C ATOM 2467 OXT VAL B 630 -4.770 -15.013 -8.439 1.00 1.10 O ATOM 0 H VAL B 630 -8.806 -14.305 -8.914 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.815 -14.741 -7.001 1.00 0.00 H new ATOM 0 HB VAL B 630 -8.318 -16.741 -8.729 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -7.834 -18.359 -6.936 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -6.347 -17.763 -7.709 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -6.831 -17.140 -6.114 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -9.826 -16.920 -6.787 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -8.906 -15.639 -5.962 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -9.801 -15.272 -7.456 1.00 1.30 H new