USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 719 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: A 503 LYS NZ :NH3+ 141:sc= 0.00439 (180deg=0) USER MOD Set 1.2: A 522 GLN : amide:sc= -0.206 X(o=-0.2,f=0) USER MOD Set 2.1: A 518 LYS NZ :NH3+ -159:sc= 0.233 (180deg=-0.243) USER MOD Set 2.2: A 519 SER OG : rot 180:sc= 0.217 USER MOD Single : A 494 THR OG1 : rot 145:sc= 0.697 USER MOD Single : A 497 LYS NZ :NH3+ -170:sc= -0.0971 (180deg=-0.179) USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 501 TYR OH : rot 180:sc= 0 USER MOD Single : A 504 THR OG1 : rot 93:sc= -0.279! USER MOD Single : A 506 SER OG : rot -18:sc= 0.921 USER MOD Single : A 507 LYS NZ :NH3+ 152:sc= -6.65! (180deg=-9.29!) USER MOD Single : A 511 SER OG : rot 97:sc= 1.64 USER MOD Single : A 517 SER OG : rot 180:sc= -2.71! USER MOD Single : A 526 ASN : amide:sc= -0.0896 K(o=-0.09,f=-2.1!) USER MOD Single : A 527 ASN :FLIP amide:sc= -1.72 F(o=-5.1!,f=-1.7) USER MOD Single : A 528 ASN :FLIP amide:sc= -1.89 F(o=-3,f=-1.9) USER MOD Single : A 531 TYR OH : rot -21:sc= 0.0681! USER MOD Single : A 534 SER OG : rot -80:sc= -4.21! USER MOD Single : A 552 THR OG1 : rot -90:sc= -4.99! USER MOD Single : A 554 THR OG1 : rot -130:sc= -4.11! USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 ASN : amide:sc= -2.81 K(o=-2.8,f=-9!) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 THR OG1 : rot 159:sc= 0.838 USER MOD Single : A 565 GLN : amide:sc= -3.69! C(o=-3.7!,f=-4.3!) USER MOD Single : A 577 LYS NZ :NH3+ 160:sc= -1.19 (180deg=-2.38) USER MOD Single : A 580 LYS NZ :NH3+ 176:sc= -1.2 (180deg=-1.24) USER MOD Single : A 582 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0227) USER MOD Single : A 583 MET CE :methyl -143:sc= 0 (180deg=-0.0364) USER MOD Single : A 584 LYS NZ :NH3+ -162:sc= -9.09! (180deg=-10.6!) USER MOD Single : A 587 SER OG : rot 40:sc= -1.68 USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -1.623 8.637 1.034 1.00 0.00 N ATOM 524 CA ALA A 491 -2.259 8.282 2.302 1.00 0.00 C ATOM 525 C ALA A 491 -1.627 7.049 2.943 1.00 0.00 C ATOM 526 O ALA A 491 -1.379 6.044 2.277 1.00 0.00 O ATOM 527 CB ALA A 491 -3.746 8.062 2.084 1.00 0.00 C ATOM 0 HA ALA A 491 -2.107 9.112 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -4.217 7.798 3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -4.196 8.976 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -3.893 7.254 1.367 1.00 0.00 H new ATOM 533 N ARG A 492 -1.388 7.134 4.254 1.00 0.00 N ATOM 534 CA ARG A 492 -0.810 6.036 5.017 1.00 0.00 C ATOM 535 C ARG A 492 -1.545 5.841 6.343 1.00 0.00 C ATOM 536 O ARG A 492 -1.857 6.809 7.038 1.00 0.00 O ATOM 537 CB ARG A 492 0.698 6.274 5.228 1.00 0.00 C ATOM 538 CG ARG A 492 1.177 6.178 6.674 1.00 0.00 C ATOM 539 CD ARG A 492 1.312 4.733 7.131 1.00 0.00 C ATOM 540 NE ARG A 492 1.430 4.632 8.584 1.00 0.00 N ATOM 541 CZ ARG A 492 2.502 5.024 9.270 1.00 0.00 C ATOM 542 NH1 ARG A 492 3.558 5.521 8.636 1.00 0.00 N ATOM 543 NH2 ARG A 492 2.521 4.915 10.590 1.00 0.00 N ATOM 0 H ARG A 492 -1.590 7.965 4.810 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.929 5.113 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 492 1.251 5.549 4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.950 7.262 4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 492 2.139 6.681 6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.476 6.701 7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.445 4.163 6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 492 2.188 4.284 6.663 1.00 0.00 H new ATOM 0 HE ARG A 492 0.645 4.238 9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 492 3.550 5.604 7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 492 4.377 5.820 9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 492 1.714 4.531 11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 492 3.342 5.215 11.115 1.00 0.00 H new ATOM 557 N VAL A 493 -1.808 4.589 6.692 1.00 0.00 N ATOM 558 CA VAL A 493 -2.494 4.270 7.940 1.00 0.00 C ATOM 559 C VAL A 493 -1.784 3.142 8.694 1.00 0.00 C ATOM 560 O VAL A 493 -0.965 2.418 8.118 1.00 0.00 O ATOM 561 CB VAL A 493 -3.953 3.858 7.680 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.656 3.474 8.972 1.00 0.00 C ATOM 563 CG2 VAL A 493 -4.698 4.978 6.974 1.00 0.00 C ATOM 0 H VAL A 493 -1.557 3.776 6.129 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.477 5.173 8.551 1.00 0.00 H new ATOM 0 HB VAL A 493 -3.948 2.980 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.685 3.188 8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -4.136 2.635 9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.652 4.324 9.655 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -5.729 4.673 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -4.686 5.872 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -4.214 5.193 6.021 1.00 0.00 H new ATOM 573 N THR A 494 -2.098 2.984 9.983 1.00 0.00 N ATOM 574 CA THR A 494 -1.482 1.927 10.776 1.00 0.00 C ATOM 575 C THR A 494 -2.510 0.884 11.228 1.00 0.00 C ATOM 576 O THR A 494 -3.607 1.216 11.675 1.00 0.00 O ATOM 577 CB THR A 494 -0.768 2.523 11.990 1.00 0.00 C ATOM 578 OG1 THR A 494 0.206 3.468 11.584 1.00 0.00 O ATOM 579 CG2 THR A 494 -0.073 1.486 12.847 1.00 0.00 C ATOM 0 H THR A 494 -2.765 3.566 10.490 1.00 0.00 H new ATOM 0 HA THR A 494 -0.753 1.422 10.142 1.00 0.00 H new ATOM 0 HB THR A 494 -1.552 2.993 12.584 1.00 0.00 H new ATOM 0 HG1 THR A 494 0.248 4.197 12.238 1.00 0.00 H new ATOM 0 HG21 THR A 494 0.413 1.977 13.690 1.00 0.00 H new ATOM 0 HG22 THR A 494 -0.806 0.770 13.218 1.00 0.00 H new ATOM 0 HG23 THR A 494 0.675 0.964 12.251 1.00 0.00 H new ATOM 587 N LEU A 495 -2.118 -0.380 11.099 1.00 0.00 N ATOM 588 CA LEU A 495 -2.946 -1.524 11.474 1.00 0.00 C ATOM 589 C LEU A 495 -2.117 -2.534 12.272 1.00 0.00 C ATOM 590 O LEU A 495 -0.893 -2.464 12.267 1.00 0.00 O ATOM 591 CB LEU A 495 -3.532 -2.191 10.220 1.00 0.00 C ATOM 592 CG LEU A 495 -2.709 -3.352 9.645 1.00 0.00 C ATOM 593 CD1 LEU A 495 -3.391 -4.680 9.917 1.00 0.00 C ATOM 594 CD2 LEU A 495 -2.480 -3.167 8.156 1.00 0.00 C ATOM 0 H LEU A 495 -1.205 -0.643 10.727 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.768 -1.172 12.098 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.530 -2.559 10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.648 -1.432 9.446 1.00 0.00 H new ATOM 0 HG LEU A 495 -1.739 -3.356 10.142 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -2.791 -5.489 9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -3.496 -4.822 10.993 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -4.377 -4.684 9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.895 -4.002 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -3.440 -3.130 7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -1.940 -2.236 7.984 1.00 0.00 H new ATOM 606 N PRO A 496 -2.761 -3.489 12.967 1.00 0.00 N ATOM 607 CA PRO A 496 -2.039 -4.509 13.742 1.00 0.00 C ATOM 608 C PRO A 496 -1.184 -5.412 12.837 1.00 0.00 C ATOM 609 O PRO A 496 -1.702 -6.077 11.941 1.00 0.00 O ATOM 610 CB PRO A 496 -3.161 -5.326 14.402 1.00 0.00 C ATOM 611 CG PRO A 496 -4.386 -4.482 14.291 1.00 0.00 C ATOM 612 CD PRO A 496 -4.217 -3.663 13.044 1.00 0.00 C ATOM 0 HA PRO A 496 -1.346 -4.066 14.457 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -3.297 -6.284 13.899 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -2.927 -5.544 15.444 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -5.281 -5.101 14.232 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -4.498 -3.841 15.166 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.610 -4.176 12.166 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -4.736 -2.707 13.114 1.00 0.00 H new ATOM 620 N LYS A 497 0.130 -5.412 13.069 1.00 0.00 N ATOM 621 CA LYS A 497 1.076 -6.205 12.274 1.00 0.00 C ATOM 622 C LYS A 497 0.706 -7.684 12.186 1.00 0.00 C ATOM 623 O LYS A 497 1.052 -8.356 11.216 1.00 0.00 O ATOM 624 CB LYS A 497 2.481 -6.080 12.866 1.00 0.00 C ATOM 625 CG LYS A 497 3.552 -6.784 12.049 1.00 0.00 C ATOM 626 CD LYS A 497 3.954 -8.109 12.678 1.00 0.00 C ATOM 627 CE LYS A 497 5.254 -7.987 13.454 1.00 0.00 C ATOM 628 NZ LYS A 497 5.720 -9.305 13.968 1.00 0.00 N ATOM 0 H LYS A 497 0.569 -4.865 13.810 1.00 0.00 H new ATOM 0 HA LYS A 497 1.039 -5.802 11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.737 -5.024 12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 497 2.478 -6.490 13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 497 3.184 -6.957 11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 497 4.428 -6.140 11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 497 3.162 -8.451 13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 497 4.064 -8.864 11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 497 6.022 -7.556 12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 497 5.115 -7.300 14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 6.510 -9.160 14.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 4.938 -9.781 14.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 6.038 -9.895 13.173 1.00 0.00 H new ATOM 642 N SER A 498 0.055 -8.201 13.210 1.00 0.00 N ATOM 643 CA SER A 498 -0.294 -9.619 13.245 1.00 0.00 C ATOM 644 C SER A 498 -1.146 -10.064 12.050 1.00 0.00 C ATOM 645 O SER A 498 -0.855 -11.084 11.426 1.00 0.00 O ATOM 646 CB SER A 498 -1.031 -9.937 14.547 1.00 0.00 C ATOM 647 OG SER A 498 -0.573 -11.156 15.109 1.00 0.00 O ATOM 0 H SER A 498 -0.244 -7.669 14.027 1.00 0.00 H new ATOM 0 HA SER A 498 0.643 -10.174 13.189 1.00 0.00 H new ATOM 0 HB2 SER A 498 -0.882 -9.126 15.260 1.00 0.00 H new ATOM 0 HB3 SER A 498 -2.102 -10.001 14.356 1.00 0.00 H new ATOM 0 HG SER A 498 -1.059 -11.335 15.941 1.00 0.00 H new ATOM 653 N LEU A 499 -2.204 -9.321 11.748 1.00 0.00 N ATOM 654 CA LEU A 499 -3.095 -9.676 10.643 1.00 0.00 C ATOM 655 C LEU A 499 -2.492 -9.392 9.262 1.00 0.00 C ATOM 656 O LEU A 499 -3.066 -9.783 8.245 1.00 0.00 O ATOM 657 CB LEU A 499 -4.422 -8.933 10.788 1.00 0.00 C ATOM 658 CG LEU A 499 -4.345 -7.431 10.521 1.00 0.00 C ATOM 659 CD1 LEU A 499 -4.833 -7.115 9.114 1.00 0.00 C ATOM 660 CD2 LEU A 499 -5.153 -6.660 11.557 1.00 0.00 C ATOM 0 H LEU A 499 -2.468 -8.472 12.248 1.00 0.00 H new ATOM 0 HA LEU A 499 -3.252 -10.753 10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -5.146 -9.373 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -4.802 -9.090 11.797 1.00 0.00 H new ATOM 0 HG LEU A 499 -3.304 -7.119 10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -4.772 -6.041 8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.210 -7.636 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -5.867 -7.441 9.006 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -5.086 -5.592 11.350 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -6.196 -6.973 11.512 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -4.756 -6.862 12.552 1.00 0.00 H new ATOM 672 N VAL A 500 -1.354 -8.707 9.216 1.00 0.00 N ATOM 673 CA VAL A 500 -0.721 -8.380 7.940 1.00 0.00 C ATOM 674 C VAL A 500 -0.028 -9.592 7.327 1.00 0.00 C ATOM 675 O VAL A 500 0.157 -9.678 6.113 1.00 0.00 O ATOM 676 CB VAL A 500 0.292 -7.222 8.092 1.00 0.00 C ATOM 677 CG1 VAL A 500 1.626 -7.715 8.639 1.00 0.00 C ATOM 678 CG2 VAL A 500 0.484 -6.509 6.764 1.00 0.00 C ATOM 0 H VAL A 500 -0.854 -8.369 10.038 1.00 0.00 H new ATOM 0 HA VAL A 500 -1.519 -8.062 7.269 1.00 0.00 H new ATOM 0 HB VAL A 500 -0.115 -6.513 8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 500 2.314 -6.875 8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 500 1.472 -8.169 9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 500 2.048 -8.454 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.200 -5.696 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 500 0.860 -7.215 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.470 -6.104 6.427 1.00 0.00 H new ATOM 688 N TYR A 501 0.369 -10.504 8.191 1.00 0.00 N ATOM 689 CA TYR A 501 1.072 -11.716 7.802 1.00 0.00 C ATOM 690 C TYR A 501 0.345 -12.539 6.730 1.00 0.00 C ATOM 691 O TYR A 501 0.978 -13.297 6.006 1.00 0.00 O ATOM 692 CB TYR A 501 1.334 -12.582 9.039 1.00 0.00 C ATOM 693 CG TYR A 501 0.218 -13.552 9.351 1.00 0.00 C ATOM 694 CD1 TYR A 501 -1.092 -13.110 9.473 1.00 0.00 C ATOM 695 CD2 TYR A 501 0.473 -14.907 9.509 1.00 0.00 C ATOM 696 CE1 TYR A 501 -2.117 -13.991 9.749 1.00 0.00 C ATOM 697 CE2 TYR A 501 -0.548 -15.795 9.783 1.00 0.00 C ATOM 698 CZ TYR A 501 -1.842 -15.333 9.902 1.00 0.00 C ATOM 699 OH TYR A 501 -2.862 -16.215 10.176 1.00 0.00 O ATOM 0 H TYR A 501 0.212 -10.426 9.196 1.00 0.00 H new ATOM 0 HA TYR A 501 2.012 -11.396 7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 501 2.258 -13.141 8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 501 1.489 -11.932 9.900 1.00 0.00 H new ATOM 0 HD1 TYR A 501 -1.312 -12.060 9.350 1.00 0.00 H new ATOM 0 HD2 TYR A 501 1.485 -15.272 9.416 1.00 0.00 H new ATOM 0 HE1 TYR A 501 -3.131 -13.631 9.845 1.00 0.00 H new ATOM 0 HE2 TYR A 501 -0.334 -16.847 9.904 1.00 0.00 H new ATOM 0 HH TYR A 501 -2.499 -17.122 10.253 1.00 0.00 H new ATOM 709 N ASP A 502 -0.981 -12.480 6.695 1.00 0.00 N ATOM 710 CA ASP A 502 -1.748 -13.316 5.759 1.00 0.00 C ATOM 711 C ASP A 502 -1.736 -12.850 4.290 1.00 0.00 C ATOM 712 O ASP A 502 -1.480 -13.662 3.400 1.00 0.00 O ATOM 713 CB ASP A 502 -3.197 -13.416 6.238 1.00 0.00 C ATOM 714 CG ASP A 502 -3.783 -14.798 6.020 1.00 0.00 C ATOM 715 OD1 ASP A 502 -3.478 -15.706 6.821 1.00 0.00 O ATOM 716 OD2 ASP A 502 -4.548 -14.971 5.048 1.00 0.00 O ATOM 0 H ASP A 502 -1.546 -11.875 7.290 1.00 0.00 H new ATOM 0 HA ASP A 502 -1.246 -14.283 5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.245 -13.167 7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -3.803 -12.680 5.710 1.00 0.00 H new ATOM 721 N LYS A 503 -2.021 -11.574 4.013 1.00 0.00 N ATOM 722 CA LYS A 503 -2.040 -11.094 2.637 1.00 0.00 C ATOM 723 C LYS A 503 -1.020 -9.989 2.402 1.00 0.00 C ATOM 724 O LYS A 503 -0.893 -9.055 3.188 1.00 0.00 O ATOM 725 CB LYS A 503 -3.443 -10.621 2.256 1.00 0.00 C ATOM 726 CG LYS A 503 -4.112 -11.491 1.205 1.00 0.00 C ATOM 727 CD LYS A 503 -5.619 -11.290 1.193 1.00 0.00 C ATOM 728 CE LYS A 503 -6.219 -11.655 -0.155 1.00 0.00 C ATOM 729 NZ LYS A 503 -7.639 -12.084 -0.033 1.00 0.00 N ATOM 0 H LYS A 503 -2.238 -10.867 4.716 1.00 0.00 H new ATOM 0 HA LYS A 503 -1.762 -11.931 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -4.066 -10.601 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.385 -9.598 1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -3.704 -11.255 0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -3.885 -12.539 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -6.075 -11.900 1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -5.850 -10.251 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -6.155 -10.797 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -5.635 -12.457 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -8.185 -11.709 -0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -7.689 -13.123 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -8.036 -11.721 0.857 1.00 0.00 H new ATOM 743 N THR A 504 -0.289 -10.112 1.319 1.00 0.00 N ATOM 744 CA THR A 504 0.721 -9.120 0.971 1.00 0.00 C ATOM 745 C THR A 504 0.115 -7.805 0.451 1.00 0.00 C ATOM 746 O THR A 504 0.104 -6.795 1.152 1.00 0.00 O ATOM 747 CB THR A 504 1.651 -9.697 -0.091 1.00 0.00 C ATOM 748 OG1 THR A 504 1.889 -11.072 0.144 1.00 0.00 O ATOM 749 CG2 THR A 504 2.992 -8.998 -0.162 1.00 0.00 C ATOM 0 H THR A 504 -0.369 -10.886 0.659 1.00 0.00 H new ATOM 0 HA THR A 504 1.268 -8.886 1.884 1.00 0.00 H new ATOM 0 HB THR A 504 1.135 -9.544 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.240 -11.607 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.602 -9.460 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.841 -7.945 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.499 -9.086 0.799 1.00 0.00 H new ATOM 757 N PHE A 505 -0.367 -7.831 -0.794 1.00 0.00 N ATOM 758 CA PHE A 505 -0.956 -6.655 -1.441 1.00 0.00 C ATOM 759 C PHE A 505 -2.351 -6.301 -0.927 1.00 0.00 C ATOM 760 O PHE A 505 -2.592 -5.201 -0.428 1.00 0.00 O ATOM 761 CB PHE A 505 -0.996 -6.849 -2.965 1.00 0.00 C ATOM 762 CG PHE A 505 0.215 -6.314 -3.666 1.00 0.00 C ATOM 763 CD1 PHE A 505 0.411 -4.948 -3.800 1.00 0.00 C ATOM 764 CD2 PHE A 505 1.153 -7.179 -4.195 1.00 0.00 C ATOM 765 CE1 PHE A 505 1.527 -4.458 -4.451 1.00 0.00 C ATOM 766 CE2 PHE A 505 2.266 -6.696 -4.847 1.00 0.00 C ATOM 767 CZ PHE A 505 2.456 -5.336 -4.976 1.00 0.00 C ATOM 0 H PHE A 505 -0.360 -8.665 -1.381 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.310 -5.816 -1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -1.094 -7.912 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -1.884 -6.357 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 505 -0.315 -4.261 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 505 1.012 -8.245 -4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 505 1.673 -3.392 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 505 2.991 -7.383 -5.258 1.00 0.00 H new ATOM 0 HZ PHE A 505 3.329 -4.958 -5.486 1.00 0.00 H new ATOM 777 N SER A 506 -3.275 -7.228 -1.143 1.00 0.00 N ATOM 778 CA SER A 506 -4.681 -7.044 -0.809 1.00 0.00 C ATOM 779 C SER A 506 -4.948 -6.532 0.603 1.00 0.00 C ATOM 780 O SER A 506 -5.367 -5.392 0.790 1.00 0.00 O ATOM 781 CB SER A 506 -5.414 -8.375 -0.992 1.00 0.00 C ATOM 782 OG SER A 506 -6.817 -8.184 -1.040 1.00 0.00 O ATOM 0 H SER A 506 -3.068 -8.136 -1.558 1.00 0.00 H new ATOM 0 HA SER A 506 -5.046 -6.270 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 506 -5.078 -8.855 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 506 -5.164 -9.047 -0.171 1.00 0.00 H new ATOM 0 HG SER A 506 -7.041 -7.310 -0.658 1.00 0.00 H new ATOM 788 N LYS A 507 -4.754 -7.388 1.590 1.00 0.00 N ATOM 789 CA LYS A 507 -5.055 -7.025 2.970 1.00 0.00 C ATOM 790 C LYS A 507 -4.461 -5.683 3.367 1.00 0.00 C ATOM 791 O LYS A 507 -5.156 -4.844 3.941 1.00 0.00 O ATOM 792 CB LYS A 507 -4.605 -8.118 3.928 1.00 0.00 C ATOM 793 CG LYS A 507 -3.102 -8.307 3.978 1.00 0.00 C ATOM 794 CD LYS A 507 -2.391 -7.370 4.951 1.00 0.00 C ATOM 795 CE LYS A 507 -3.281 -6.904 6.099 1.00 0.00 C ATOM 796 NZ LYS A 507 -2.637 -5.834 6.907 1.00 0.00 N ATOM 0 H LYS A 507 -4.392 -8.334 1.467 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.138 -6.922 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -4.966 -7.882 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -5.071 -9.059 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -2.885 -9.338 4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -2.693 -8.155 2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -1.518 -7.877 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -2.027 -6.499 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -4.226 -6.536 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -3.516 -7.752 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -3.370 -5.232 7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -2.062 -6.265 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -2.028 -5.255 6.294 1.00 0.00 H new ATOM 810 N VAL A 508 -3.192 -5.477 3.079 1.00 0.00 N ATOM 811 CA VAL A 508 -2.537 -4.228 3.435 1.00 0.00 C ATOM 812 C VAL A 508 -3.297 -3.008 2.927 1.00 0.00 C ATOM 813 O VAL A 508 -3.666 -2.128 3.706 1.00 0.00 O ATOM 814 CB VAL A 508 -1.106 -4.164 2.877 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.459 -2.829 3.215 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.273 -5.318 3.404 1.00 0.00 C ATOM 0 H VAL A 508 -2.594 -6.152 2.602 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.516 -4.209 4.525 1.00 0.00 H new ATOM 0 HB VAL A 508 -1.156 -4.252 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.553 -2.803 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -1.045 -2.020 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.422 -2.707 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.736 -5.254 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -0.229 -5.268 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.727 -6.262 3.102 1.00 0.00 H new ATOM 826 N LEU A 509 -3.481 -2.936 1.622 1.00 0.00 N ATOM 827 CA LEU A 509 -4.133 -1.788 1.004 1.00 0.00 C ATOM 828 C LEU A 509 -5.579 -1.520 1.461 1.00 0.00 C ATOM 829 O LEU A 509 -5.869 -0.437 1.966 1.00 0.00 O ATOM 830 CB LEU A 509 -4.073 -1.914 -0.525 1.00 0.00 C ATOM 831 CG LEU A 509 -5.008 -2.945 -1.148 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.355 -2.319 -1.459 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.387 -3.533 -2.406 1.00 0.00 C ATOM 0 H LEU A 509 -3.189 -3.659 0.965 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.569 -0.921 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.298 -0.940 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.050 -2.161 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.162 -3.752 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -7.011 -3.068 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.803 -1.944 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -6.220 -1.494 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.067 -4.267 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.205 -2.737 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.443 -4.017 -2.154 1.00 0.00 H new ATOM 845 N TRP A 510 -6.496 -2.454 1.229 1.00 0.00 N ATOM 846 CA TRP A 510 -7.906 -2.222 1.565 1.00 0.00 C ATOM 847 C TRP A 510 -8.213 -2.235 3.052 1.00 0.00 C ATOM 848 O TRP A 510 -8.902 -1.358 3.573 1.00 0.00 O ATOM 849 CB TRP A 510 -8.800 -3.249 0.862 1.00 0.00 C ATOM 850 CG TRP A 510 -8.518 -4.663 1.262 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.723 -5.551 0.602 1.00 0.00 C ATOM 852 CD2 TRP A 510 -9.040 -5.360 2.400 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.697 -6.751 1.271 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.502 -6.662 2.376 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.905 -5.010 3.443 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -8.799 -7.610 3.350 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -10.201 -5.954 4.408 1.00 0.00 C ATOM 858 CH2 TRP A 510 -9.648 -7.240 4.357 1.00 0.00 C ATOM 0 H TRP A 510 -6.298 -3.366 0.817 1.00 0.00 H new ATOM 0 HA TRP A 510 -8.117 -1.212 1.213 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.843 -3.020 1.080 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.671 -3.153 -0.216 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.190 -5.342 -0.314 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.165 -7.575 0.990 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -10.334 -4.020 3.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.375 -8.602 3.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -10.870 -5.696 5.215 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -9.897 -7.954 5.128 1.00 0.00 H new ATOM 869 N SER A 511 -7.745 -3.262 3.706 1.00 0.00 N ATOM 870 CA SER A 511 -7.994 -3.468 5.113 1.00 0.00 C ATOM 871 C SER A 511 -7.371 -2.404 5.981 1.00 0.00 C ATOM 872 O SER A 511 -7.982 -1.928 6.939 1.00 0.00 O ATOM 873 CB SER A 511 -7.480 -4.844 5.538 1.00 0.00 C ATOM 874 OG SER A 511 -8.297 -5.405 6.550 1.00 0.00 O ATOM 0 H SER A 511 -7.174 -3.989 3.276 1.00 0.00 H new ATOM 0 HA SER A 511 -9.073 -3.408 5.255 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.457 -5.509 4.675 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.456 -4.757 5.900 1.00 0.00 H new ATOM 0 HG SER A 511 -8.947 -6.016 6.144 1.00 0.00 H new ATOM 880 N ALA A 512 -6.118 -2.116 5.713 1.00 0.00 N ATOM 881 CA ALA A 512 -5.375 -1.209 6.544 1.00 0.00 C ATOM 882 C ALA A 512 -5.742 0.260 6.475 1.00 0.00 C ATOM 883 O ALA A 512 -6.246 0.814 7.453 1.00 0.00 O ATOM 884 CB ALA A 512 -3.892 -1.357 6.252 1.00 0.00 C ATOM 0 H ALA A 512 -5.596 -2.499 4.925 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.645 -1.508 7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -3.327 -0.670 6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.580 -2.380 6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.703 -1.127 5.203 1.00 0.00 H new ATOM 890 N GLY A 513 -5.367 0.926 5.394 1.00 0.00 N ATOM 891 CA GLY A 513 -5.562 2.363 5.375 1.00 0.00 C ATOM 892 C GLY A 513 -6.498 3.024 4.393 1.00 0.00 C ATOM 893 O GLY A 513 -7.010 4.104 4.692 1.00 0.00 O ATOM 0 H GLY A 513 -4.947 0.519 4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.897 2.649 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -4.580 2.813 5.227 1.00 0.00 H new ATOM 897 N LEU A 514 -6.586 2.524 3.171 1.00 0.00 N ATOM 898 CA LEU A 514 -7.311 3.298 2.162 1.00 0.00 C ATOM 899 C LEU A 514 -8.661 2.826 1.655 1.00 0.00 C ATOM 900 O LEU A 514 -9.478 3.685 1.317 1.00 0.00 O ATOM 901 CB LEU A 514 -6.387 3.551 0.963 1.00 0.00 C ATOM 902 CG LEU A 514 -6.346 2.446 -0.095 1.00 0.00 C ATOM 903 CD1 LEU A 514 -6.157 3.044 -1.481 1.00 0.00 C ATOM 904 CD2 LEU A 514 -5.237 1.459 0.213 1.00 0.00 C ATOM 0 H LEU A 514 -6.191 1.637 2.859 1.00 0.00 H new ATOM 0 HA LEU A 514 -7.585 4.190 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -6.696 4.478 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -5.375 3.708 1.336 1.00 0.00 H new ATOM 0 HG LEU A 514 -7.297 1.914 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -6.130 2.245 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -6.985 3.717 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -5.220 3.600 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -5.222 0.680 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -4.279 1.979 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -5.412 1.008 1.190 1.00 0.00 H new ATOM 916 N VAL A 515 -8.905 1.540 1.437 1.00 0.00 N ATOM 917 CA VAL A 515 -10.168 1.244 0.783 1.00 0.00 C ATOM 918 C VAL A 515 -10.814 -0.128 1.044 1.00 0.00 C ATOM 919 O VAL A 515 -10.236 -1.032 1.632 1.00 0.00 O ATOM 920 CB VAL A 515 -9.926 1.464 -0.729 1.00 0.00 C ATOM 921 CG1 VAL A 515 -8.883 0.493 -1.248 1.00 0.00 C ATOM 922 CG2 VAL A 515 -11.207 1.390 -1.549 1.00 0.00 C ATOM 0 H VAL A 515 -8.306 0.750 1.678 1.00 0.00 H new ATOM 0 HA VAL A 515 -10.910 1.912 1.221 1.00 0.00 H new ATOM 0 HB VAL A 515 -9.547 2.479 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -8.726 0.663 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -7.945 0.647 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -9.227 -0.529 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -10.975 1.552 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.662 0.407 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -11.902 2.158 -1.208 1.00 0.00 H new ATOM 932 N ALA A 516 -12.044 -0.222 0.529 1.00 0.00 N ATOM 933 CA ALA A 516 -12.917 -1.385 0.556 1.00 0.00 C ATOM 934 C ALA A 516 -12.370 -2.491 -0.336 1.00 0.00 C ATOM 935 O ALA A 516 -13.045 -3.485 -0.605 1.00 0.00 O ATOM 936 CB ALA A 516 -14.332 -1.006 0.144 1.00 0.00 C ATOM 0 H ALA A 516 -12.479 0.568 0.052 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.952 -1.761 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -14.968 -1.891 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.723 -0.257 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.320 -0.599 -0.867 1.00 0.00 H new ATOM 942 N SER A 517 -11.208 -2.225 -0.912 1.00 0.00 N ATOM 943 CA SER A 517 -10.596 -3.054 -1.909 1.00 0.00 C ATOM 944 C SER A 517 -10.336 -4.497 -1.485 1.00 0.00 C ATOM 945 O SER A 517 -9.743 -5.241 -2.259 1.00 0.00 O ATOM 946 CB SER A 517 -9.270 -2.414 -2.329 1.00 0.00 C ATOM 947 OG SER A 517 -9.415 -1.634 -3.501 1.00 0.00 O ATOM 0 H SER A 517 -10.657 -1.398 -0.683 1.00 0.00 H new ATOM 0 HA SER A 517 -11.311 -3.114 -2.729 1.00 0.00 H new ATOM 0 HB2 SER A 517 -8.895 -1.788 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 517 -8.527 -3.193 -2.500 1.00 0.00 H new ATOM 0 HG SER A 517 -8.551 -1.239 -3.740 1.00 0.00 H new ATOM 953 N LYS A 518 -10.819 -4.959 -0.334 1.00 0.00 N ATOM 954 CA LYS A 518 -10.624 -6.377 -0.052 1.00 0.00 C ATOM 955 C LYS A 518 -11.025 -7.080 -1.348 1.00 0.00 C ATOM 956 O LYS A 518 -10.237 -7.809 -1.950 1.00 0.00 O ATOM 957 CB LYS A 518 -11.502 -6.861 1.115 1.00 0.00 C ATOM 958 CG LYS A 518 -12.752 -6.022 1.350 1.00 0.00 C ATOM 959 CD LYS A 518 -13.949 -6.891 1.700 1.00 0.00 C ATOM 960 CE LYS A 518 -15.238 -6.323 1.127 1.00 0.00 C ATOM 961 NZ LYS A 518 -15.678 -7.059 -0.090 1.00 0.00 N ATOM 0 H LYS A 518 -11.314 -4.417 0.374 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.597 -6.587 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -11.801 -7.892 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -10.904 -6.865 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -12.568 -5.312 2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -12.973 -5.439 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -13.792 -7.899 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -14.036 -6.972 2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -16.022 -6.370 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -15.093 -5.271 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -16.322 -6.459 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -14.848 -7.303 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -16.172 -7.930 0.191 1.00 0.00 H new ATOM 975 N SER A 519 -12.220 -6.737 -1.824 1.00 0.00 N ATOM 976 CA SER A 519 -12.709 -7.197 -3.116 1.00 0.00 C ATOM 977 C SER A 519 -12.008 -6.426 -4.255 1.00 0.00 C ATOM 978 O SER A 519 -11.377 -7.011 -5.148 1.00 0.00 O ATOM 979 CB SER A 519 -14.225 -7.009 -3.212 1.00 0.00 C ATOM 980 OG SER A 519 -14.913 -8.100 -2.623 1.00 0.00 O ATOM 0 H SER A 519 -12.873 -6.134 -1.324 1.00 0.00 H new ATOM 0 HA SER A 519 -12.482 -8.259 -3.214 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.512 -6.083 -2.714 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.517 -6.913 -4.258 1.00 0.00 H new ATOM 0 HG SER A 519 -15.879 -7.955 -2.696 1.00 0.00 H new ATOM 986 N GLU A 520 -12.148 -5.085 -4.203 1.00 0.00 N ATOM 987 CA GLU A 520 -11.573 -4.191 -5.205 1.00 0.00 C ATOM 988 C GLU A 520 -10.071 -4.393 -5.344 1.00 0.00 C ATOM 989 O GLU A 520 -9.541 -4.511 -6.449 1.00 0.00 O ATOM 990 CB GLU A 520 -11.890 -2.732 -4.862 1.00 0.00 C ATOM 991 CG GLU A 520 -12.601 -1.979 -5.973 1.00 0.00 C ATOM 992 CD GLU A 520 -11.799 -1.943 -7.259 1.00 0.00 C ATOM 993 OE1 GLU A 520 -11.667 -3.003 -7.907 1.00 0.00 O ATOM 994 OE2 GLU A 520 -11.302 -0.855 -7.619 1.00 0.00 O ATOM 0 H GLU A 520 -12.662 -4.603 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 520 -12.027 -4.435 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -12.509 -2.706 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -10.961 -2.215 -4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -13.566 -2.447 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -12.801 -0.959 -5.645 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.402 -4.427 -4.210 1.00 0.00 N ATOM 1002 CA GLY A 521 -7.970 -4.608 -4.158 1.00 0.00 C ATOM 1003 C GLY A 521 -7.534 -5.767 -4.989 1.00 0.00 C ATOM 1004 O GLY A 521 -6.714 -5.607 -5.879 1.00 0.00 O ATOM 0 H GLY A 521 -9.841 -4.329 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.475 -3.702 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.659 -4.763 -3.125 1.00 0.00 H new ATOM 1008 N GLN A 522 -8.102 -6.935 -4.726 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.767 -8.120 -5.492 1.00 0.00 C ATOM 1010 C GLN A 522 -7.813 -7.784 -6.977 1.00 0.00 C ATOM 1011 O GLN A 522 -6.887 -8.095 -7.725 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.736 -9.262 -5.174 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.398 -10.008 -3.893 1.00 0.00 C ATOM 1014 CD GLN A 522 -9.455 -11.027 -3.516 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -9.879 -11.100 -2.363 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -9.886 -11.820 -4.491 1.00 0.00 N ATOM 0 H GLN A 522 -8.793 -7.084 -3.991 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.763 -8.448 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.746 -8.859 -5.094 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -8.739 -9.967 -6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.439 -10.512 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -8.282 -9.292 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -9.506 -11.724 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -10.597 -12.525 -4.298 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.889 -7.119 -7.389 1.00 0.00 N ATOM 1026 CA ARG A 523 -9.044 -6.705 -8.781 1.00 0.00 C ATOM 1027 C ARG A 523 -7.796 -5.970 -9.277 1.00 0.00 C ATOM 1028 O ARG A 523 -7.268 -6.284 -10.340 1.00 0.00 O ATOM 1029 CB ARG A 523 -10.269 -5.804 -8.929 1.00 0.00 C ATOM 1030 CG ARG A 523 -10.999 -5.992 -10.246 1.00 0.00 C ATOM 1031 CD ARG A 523 -11.503 -4.669 -10.800 1.00 0.00 C ATOM 1032 NE ARG A 523 -12.571 -4.855 -11.778 1.00 0.00 N ATOM 1033 CZ ARG A 523 -13.843 -5.083 -11.455 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -14.208 -5.158 -10.180 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -14.751 -5.236 -12.408 1.00 0.00 N ATOM 0 H ARG A 523 -9.665 -6.856 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 523 -9.180 -7.601 -9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -10.958 -6.003 -8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -9.958 -4.763 -8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -10.331 -6.459 -10.970 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -11.839 -6.671 -10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -11.866 -4.048 -9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -10.676 -4.132 -11.265 1.00 0.00 H new ATOM 0 HE ARG A 523 -12.329 -4.808 -12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -13.513 -5.041 -9.443 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -15.183 -5.333 -9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -14.476 -5.179 -13.389 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -15.725 -5.411 -12.161 1.00 0.00 H new ATOM 1049 N ILE A 524 -7.331 -4.996 -8.497 1.00 0.00 N ATOM 1050 CA ILE A 524 -6.144 -4.222 -8.852 1.00 0.00 C ATOM 1051 C ILE A 524 -4.941 -5.141 -9.000 1.00 0.00 C ATOM 1052 O ILE A 524 -4.298 -5.186 -10.047 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.835 -3.147 -7.791 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -7.062 -2.262 -7.561 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.641 -2.305 -8.216 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -7.158 -1.715 -6.154 1.00 0.00 C ATOM 0 H ILE A 524 -7.760 -4.724 -7.613 1.00 0.00 H new ATOM 0 HA ILE A 524 -6.347 -3.725 -9.801 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.586 -3.645 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -7.037 -1.430 -8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -7.961 -2.838 -7.780 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -4.438 -1.552 -7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -3.767 -2.946 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -4.861 -1.813 -9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -8.051 -1.097 -6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -7.215 -2.541 -5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -6.276 -1.112 -5.937 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.676 -5.901 -7.952 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.594 -6.863 -7.946 1.00 0.00 C ATOM 1070 C ILE A 525 -3.724 -7.710 -9.205 1.00 0.00 C ATOM 1071 O ILE A 525 -2.771 -7.900 -9.960 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.635 -7.787 -6.704 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.325 -7.119 -5.510 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.233 -8.196 -6.315 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -3.853 -5.704 -5.237 1.00 0.00 C ATOM 0 H ILE A 525 -5.207 -5.867 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.647 -6.325 -7.914 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.217 -8.668 -6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.401 -7.105 -5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -4.156 -7.725 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.273 -8.846 -5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.767 -8.730 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.647 -7.308 -6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.389 -5.301 -4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -2.783 -5.711 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -4.047 -5.081 -6.110 1.00 0.00 H new ATOM 1087 N ASN A 526 -4.957 -8.166 -9.430 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.312 -8.949 -10.609 1.00 0.00 C ATOM 1089 C ASN A 526 -4.935 -8.153 -11.838 1.00 0.00 C ATOM 1090 O ASN A 526 -4.246 -8.632 -12.737 1.00 0.00 O ATOM 1091 CB ASN A 526 -6.809 -9.223 -10.612 1.00 0.00 C ATOM 1092 CG ASN A 526 -7.174 -10.498 -11.340 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -6.305 -11.261 -11.760 1.00 0.00 O ATOM 1094 ND2 ASN A 526 -8.470 -10.732 -11.491 1.00 0.00 N ATOM 0 H ASN A 526 -5.739 -8.001 -8.796 1.00 0.00 H new ATOM 0 HA ASN A 526 -4.782 -9.902 -10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.164 -9.284 -9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -7.326 -8.384 -11.078 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -8.783 -11.575 -11.973 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -9.154 -10.069 -11.125 1.00 0.00 H new ATOM 1101 N ASN A 527 -5.355 -6.898 -11.810 1.00 0.00 N ATOM 1102 CA ASN A 527 -5.043 -5.941 -12.852 1.00 0.00 C ATOM 1103 C ASN A 527 -3.546 -6.017 -13.120 1.00 0.00 C ATOM 1104 O ASN A 527 -3.091 -5.931 -14.260 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.497 -4.529 -12.453 1.00 0.00 C ATOM 1106 CG ASN A 527 -4.380 -3.505 -12.449 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -4.057 -3.005 -11.266 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -3.818 -3.171 -13.492 1.00 0.00 N flip ATOM 0 H ASN A 527 -5.926 -6.515 -11.057 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.582 -6.179 -13.769 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -6.276 -4.200 -13.141 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -5.944 -4.569 -11.460 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -4.103 -3.585 -14.380 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -3.068 -2.480 -13.468 1.00 0.00 H new ATOM 1115 N ASN A 528 -2.791 -6.161 -12.033 1.00 0.00 N ATOM 1116 CA ASN A 528 -1.341 -6.231 -12.096 1.00 0.00 C ATOM 1117 C ASN A 528 -0.737 -4.868 -12.376 1.00 0.00 C ATOM 1118 O ASN A 528 0.239 -4.734 -13.113 1.00 0.00 O ATOM 1119 CB ASN A 528 -0.897 -7.228 -13.169 1.00 0.00 C ATOM 1120 CG ASN A 528 0.553 -7.642 -13.009 1.00 0.00 C ATOM 1121 OD1 ASN A 528 0.772 -8.836 -12.470 1.00 0.00 O flip ATOM 1122 ND2 ASN A 528 1.467 -6.899 -13.366 1.00 0.00 N flip ATOM 0 H ASN A 528 -3.170 -6.232 -11.089 1.00 0.00 H new ATOM 0 HA ASN A 528 -0.984 -6.572 -11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -1.532 -8.113 -13.124 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -1.039 -6.784 -14.154 1.00 0.00 H new ATOM 0 HD21 ASN A 528 1.254 -5.989 -13.776 1.00 0.00 H new ATOM 0 HD22 ASN A 528 2.437 -7.193 -13.252 1.00 0.00 H new ATOM 1129 N GLY A 529 -1.320 -3.862 -11.734 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.828 -2.505 -11.867 1.00 0.00 C ATOM 1131 C GLY A 529 -0.308 -1.967 -10.544 1.00 0.00 C ATOM 1132 O GLY A 529 -0.482 -0.788 -10.234 1.00 0.00 O ATOM 0 H GLY A 529 -2.129 -3.964 -11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 529 -0.031 -2.477 -12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.628 -1.861 -12.233 1.00 0.00 H new ATOM 1136 N ALA A 530 0.320 -2.842 -9.754 1.00 0.00 N ATOM 1137 CA ALA A 530 0.851 -2.459 -8.450 1.00 0.00 C ATOM 1138 C ALA A 530 2.292 -2.957 -8.235 1.00 0.00 C ATOM 1139 O ALA A 530 2.794 -3.813 -8.961 1.00 0.00 O ATOM 1140 CB ALA A 530 -0.057 -2.963 -7.338 1.00 0.00 C ATOM 0 H ALA A 530 0.472 -3.821 -9.998 1.00 0.00 H new ATOM 0 HA ALA A 530 0.880 -1.370 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.353 -2.669 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -1.051 -2.532 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -0.125 -4.050 -7.388 1.00 0.00 H new ATOM 1146 N TYR A 531 2.932 -2.388 -7.225 1.00 0.00 N ATOM 1147 CA TYR A 531 4.300 -2.701 -6.829 1.00 0.00 C ATOM 1148 C TYR A 531 4.351 -2.860 -5.305 1.00 0.00 C ATOM 1149 O TYR A 531 3.574 -2.205 -4.608 1.00 0.00 O ATOM 1150 CB TYR A 531 5.204 -1.550 -7.261 1.00 0.00 C ATOM 1151 CG TYR A 531 6.603 -1.958 -7.628 1.00 0.00 C ATOM 1152 CD1 TYR A 531 7.585 -2.067 -6.657 1.00 0.00 C ATOM 1153 CD2 TYR A 531 6.947 -2.209 -8.949 1.00 0.00 C ATOM 1154 CE1 TYR A 531 8.870 -2.419 -6.991 1.00 0.00 C ATOM 1155 CE2 TYR A 531 8.236 -2.558 -9.293 1.00 0.00 C ATOM 1156 CZ TYR A 531 9.196 -2.663 -8.311 1.00 0.00 C ATOM 1157 OH TYR A 531 10.485 -3.003 -8.650 1.00 0.00 O ATOM 0 H TYR A 531 2.502 -1.673 -6.639 1.00 0.00 H new ATOM 0 HA TYR A 531 4.634 -3.626 -7.299 1.00 0.00 H new ATOM 0 HB2 TYR A 531 4.749 -1.049 -8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 531 5.252 -0.820 -6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 531 7.337 -1.873 -5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 531 6.194 -2.130 -9.719 1.00 0.00 H new ATOM 0 HE1 TYR A 531 9.624 -2.505 -6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 531 8.491 -2.748 -10.325 1.00 0.00 H new ATOM 0 HH TYR A 531 11.097 -2.710 -7.943 1.00 0.00 H new ATOM 1167 N VAL A 532 5.244 -3.699 -4.758 1.00 0.00 N ATOM 1168 CA VAL A 532 5.295 -3.834 -3.299 1.00 0.00 C ATOM 1169 C VAL A 532 6.711 -3.687 -2.756 1.00 0.00 C ATOM 1170 O VAL A 532 7.681 -4.242 -3.292 1.00 0.00 O ATOM 1171 CB VAL A 532 4.656 -5.165 -2.813 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.561 -5.915 -1.838 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.309 -4.891 -2.161 1.00 0.00 C ATOM 0 H VAL A 532 5.911 -4.269 -5.277 1.00 0.00 H new ATOM 0 HA VAL A 532 4.701 -3.013 -2.898 1.00 0.00 H new ATOM 0 HB VAL A 532 4.519 -5.798 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 532 5.073 -6.838 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 532 6.506 -6.151 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 532 5.751 -5.291 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.870 -5.830 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.446 -4.228 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.644 -4.419 -2.884 1.00 0.00 H new ATOM 1183 N GLY A 533 6.797 -2.927 -1.670 1.00 0.00 N ATOM 1184 CA GLY A 533 8.064 -2.686 -1.028 1.00 0.00 C ATOM 1185 C GLY A 533 8.009 -2.867 0.472 1.00 0.00 C ATOM 1186 O GLY A 533 6.989 -2.597 1.109 1.00 0.00 O ATOM 0 H GLY A 533 6.001 -2.472 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.810 -3.363 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.393 -1.672 -1.254 1.00 0.00 H new ATOM 1190 N SER A 534 9.114 -3.321 1.032 1.00 0.00 N ATOM 1191 CA SER A 534 9.213 -3.524 2.476 1.00 0.00 C ATOM 1192 C SER A 534 10.524 -2.974 3.017 1.00 0.00 C ATOM 1193 O SER A 534 11.558 -3.086 2.365 1.00 0.00 O ATOM 1194 CB SER A 534 9.099 -5.003 2.824 1.00 0.00 C ATOM 1195 OG SER A 534 7.774 -5.464 2.643 1.00 0.00 O ATOM 0 H SER A 534 9.960 -3.558 0.514 1.00 0.00 H new ATOM 0 HA SER A 534 8.387 -2.984 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 534 9.778 -5.581 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 534 9.405 -5.162 3.858 1.00 0.00 H new ATOM 0 HG SER A 534 7.230 -5.208 3.417 1.00 0.00 H new ATOM 1201 N ARG A 535 10.493 -2.405 4.219 1.00 0.00 N ATOM 1202 CA ARG A 535 11.715 -1.884 4.823 1.00 0.00 C ATOM 1203 C ARG A 535 11.603 -1.748 6.340 1.00 0.00 C ATOM 1204 O ARG A 535 11.238 -0.691 6.852 1.00 0.00 O ATOM 1205 CB ARG A 535 12.057 -0.531 4.199 1.00 0.00 C ATOM 1206 CG ARG A 535 13.163 0.228 4.921 1.00 0.00 C ATOM 1207 CD ARG A 535 14.428 -0.605 5.042 1.00 0.00 C ATOM 1208 NE ARG A 535 15.299 -0.437 3.879 1.00 0.00 N ATOM 1209 CZ ARG A 535 16.627 -0.364 3.941 1.00 0.00 C ATOM 1210 NH1 ARG A 535 17.257 -0.475 5.104 1.00 0.00 N ATOM 1211 NH2 ARG A 535 17.331 -0.188 2.830 1.00 0.00 N ATOM 0 H ARG A 535 9.652 -2.294 4.785 1.00 0.00 H new ATOM 0 HA ARG A 535 12.512 -2.600 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 535 12.356 -0.687 3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.159 0.086 4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 535 13.384 1.149 4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 535 12.819 0.514 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 535 14.967 -0.319 5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 535 14.162 -1.657 5.149 1.00 0.00 H new ATOM 0 HE ARG A 535 14.860 -0.371 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 535 16.723 -0.618 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 535 18.275 -0.418 5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 535 16.855 -0.109 1.932 1.00 0.00 H new ATOM 0 HH22 ARG A 535 18.348 -0.132 2.875 1.00 0.00 H new ATOM 1401 N ASP A 549 14.913 -7.860 2.321 1.00 0.00 N ATOM 1402 CA ASP A 549 14.069 -7.685 3.485 1.00 0.00 C ATOM 1403 C ASP A 549 13.998 -6.203 3.803 1.00 0.00 C ATOM 1404 O ASP A 549 12.960 -5.681 4.205 1.00 0.00 O ATOM 1405 CB ASP A 549 14.624 -8.461 4.681 1.00 0.00 C ATOM 1406 CG ASP A 549 14.300 -9.941 4.610 1.00 0.00 C ATOM 1407 OD1 ASP A 549 13.207 -10.286 4.114 1.00 0.00 O ATOM 1408 OD2 ASP A 549 15.138 -10.754 5.053 1.00 0.00 O ATOM 0 HA ASP A 549 13.072 -8.072 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 549 15.705 -8.330 4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 549 14.214 -8.046 5.602 1.00 0.00 H new ATOM 1413 N ASP A 550 15.134 -5.534 3.603 1.00 0.00 N ATOM 1414 CA ASP A 550 15.242 -4.111 3.848 1.00 0.00 C ATOM 1415 C ASP A 550 14.460 -3.342 2.794 1.00 0.00 C ATOM 1416 O ASP A 550 13.770 -2.374 3.094 1.00 0.00 O ATOM 1417 CB ASP A 550 16.709 -3.672 3.848 1.00 0.00 C ATOM 1418 CG ASP A 550 17.622 -4.685 4.515 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.747 -4.646 5.757 1.00 0.00 O ATOM 1420 OD2 ASP A 550 18.211 -5.517 3.793 1.00 0.00 O ATOM 0 H ASP A 550 15.995 -5.967 3.269 1.00 0.00 H new ATOM 0 HA ASP A 550 14.821 -3.894 4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 550 17.037 -3.514 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 550 16.798 -2.715 4.362 1.00 0.00 H new ATOM 1425 N LEU A 551 14.563 -3.795 1.554 1.00 0.00 N ATOM 1426 CA LEU A 551 13.844 -3.171 0.455 1.00 0.00 C ATOM 1427 C LEU A 551 13.132 -4.242 -0.356 1.00 0.00 C ATOM 1428 O LEU A 551 13.682 -5.314 -0.588 1.00 0.00 O ATOM 1429 CB LEU A 551 14.801 -2.380 -0.442 1.00 0.00 C ATOM 1430 CG LEU A 551 14.297 -2.133 -1.869 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.257 -1.021 -1.886 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.458 -1.797 -2.794 1.00 0.00 C ATOM 0 H LEU A 551 15.138 -4.593 1.284 1.00 0.00 H new ATOM 0 HA LEU A 551 13.111 -2.476 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.003 -1.417 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.750 -2.914 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 551 13.825 -3.047 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.912 -0.861 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.412 -1.303 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.701 -0.101 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 551 15.082 -1.625 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.960 -0.898 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 551 16.165 -2.627 -2.807 1.00 0.00 H new ATOM 1444 N THR A 552 11.916 -3.959 -0.796 1.00 0.00 N ATOM 1445 CA THR A 552 11.185 -4.931 -1.591 1.00 0.00 C ATOM 1446 C THR A 552 10.557 -4.302 -2.821 1.00 0.00 C ATOM 1447 O THR A 552 10.109 -3.158 -2.801 1.00 0.00 O ATOM 1448 CB THR A 552 10.116 -5.638 -0.761 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.638 -6.007 0.500 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.586 -6.894 -1.419 1.00 0.00 C ATOM 0 H THR A 552 11.423 -3.083 -0.621 1.00 0.00 H new ATOM 0 HA THR A 552 11.913 -5.670 -1.925 1.00 0.00 H new ATOM 0 HB THR A 552 9.298 -4.924 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 552 11.025 -6.906 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.830 -7.349 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 552 9.142 -6.641 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 552 10.404 -7.598 -1.571 1.00 0.00 H new ATOM 1458 N PHE A 553 10.490 -5.101 -3.865 1.00 0.00 N ATOM 1459 CA PHE A 553 9.874 -4.725 -5.116 1.00 0.00 C ATOM 1460 C PHE A 553 8.972 -5.880 -5.516 1.00 0.00 C ATOM 1461 O PHE A 553 9.373 -7.027 -5.386 1.00 0.00 O ATOM 1462 CB PHE A 553 10.955 -4.488 -6.181 1.00 0.00 C ATOM 1463 CG PHE A 553 11.782 -3.237 -5.975 1.00 0.00 C ATOM 1464 CD1 PHE A 553 11.392 -2.258 -5.070 1.00 0.00 C ATOM 1465 CD2 PHE A 553 12.949 -3.038 -6.698 1.00 0.00 C ATOM 1466 CE1 PHE A 553 12.140 -1.113 -4.893 1.00 0.00 C ATOM 1467 CE2 PHE A 553 13.704 -1.892 -6.521 1.00 0.00 C ATOM 1468 CZ PHE A 553 13.297 -0.929 -5.617 1.00 0.00 C ATOM 0 H PHE A 553 10.870 -6.048 -3.866 1.00 0.00 H new ATOM 0 HA PHE A 553 9.302 -3.802 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.623 -5.349 -6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.477 -4.434 -7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 553 10.488 -2.396 -4.495 1.00 0.00 H new ATOM 0 HD2 PHE A 553 13.272 -3.786 -7.407 1.00 0.00 H new ATOM 0 HE1 PHE A 553 11.819 -0.361 -4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 553 14.611 -1.750 -7.089 1.00 0.00 H new ATOM 0 HZ PHE A 553 13.885 -0.034 -5.479 1.00 0.00 H new ATOM 1478 N THR A 554 7.767 -5.624 -5.972 1.00 0.00 N ATOM 1479 CA THR A 554 6.902 -6.739 -6.339 1.00 0.00 C ATOM 1480 C THR A 554 6.187 -6.533 -7.668 1.00 0.00 C ATOM 1481 O THR A 554 5.714 -5.436 -7.963 1.00 0.00 O ATOM 1482 CB THR A 554 5.920 -7.026 -5.214 1.00 0.00 C ATOM 1483 OG1 THR A 554 6.611 -7.117 -3.980 1.00 0.00 O ATOM 1484 CG2 THR A 554 5.155 -8.317 -5.403 1.00 0.00 C ATOM 0 H THR A 554 7.368 -4.694 -6.097 1.00 0.00 H new ATOM 0 HA THR A 554 7.541 -7.610 -6.485 1.00 0.00 H new ATOM 0 HB THR A 554 5.209 -6.200 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 554 6.344 -7.938 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 554 4.472 -8.461 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 554 4.586 -8.270 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 554 5.855 -9.151 -5.448 1.00 0.00 H new ATOM 1492 N PRO A 555 6.081 -7.597 -8.488 1.00 0.00 N ATOM 1493 CA PRO A 555 5.405 -7.535 -9.778 1.00 0.00 C ATOM 1494 C PRO A 555 3.877 -7.565 -9.650 1.00 0.00 C ATOM 1495 O PRO A 555 3.184 -7.714 -10.654 1.00 0.00 O ATOM 1496 CB PRO A 555 5.904 -8.785 -10.523 1.00 0.00 C ATOM 1497 CG PRO A 555 6.904 -9.434 -9.621 1.00 0.00 C ATOM 1498 CD PRO A 555 6.606 -8.942 -8.236 1.00 0.00 C ATOM 0 HA PRO A 555 5.627 -6.601 -10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 555 5.079 -9.463 -10.742 1.00 0.00 H new ATOM 0 HB3 PRO A 555 6.357 -8.515 -11.477 1.00 0.00 H new ATOM 0 HG2 PRO A 555 6.826 -10.520 -9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 555 7.920 -9.173 -9.916 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.878 -9.574 -7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.499 -8.919 -7.612 1.00 0.00 H new ATOM 1506 N ILE A 556 3.357 -7.393 -8.423 1.00 0.00 N ATOM 1507 CA ILE A 556 1.911 -7.354 -8.195 1.00 0.00 C ATOM 1508 C ILE A 556 1.164 -8.636 -8.554 1.00 0.00 C ATOM 1509 O ILE A 556 0.023 -8.581 -9.009 1.00 0.00 O ATOM 1510 CB ILE A 556 1.220 -6.136 -8.815 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.201 -5.979 -8.268 1.00 0.00 C ATOM 1512 CG2 ILE A 556 1.187 -6.253 -10.303 1.00 0.00 C ATOM 1513 CD1 ILE A 556 -0.284 -6.053 -6.762 1.00 0.00 C ATOM 0 H ILE A 556 3.918 -7.279 -7.579 1.00 0.00 H new ATOM 0 HA ILE A 556 1.847 -7.257 -7.111 1.00 0.00 H new ATOM 0 HB ILE A 556 1.794 -5.249 -8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.604 -5.022 -8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.834 -6.756 -8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.692 -5.379 -10.726 1.00 0.00 H new ATOM 0 HG22 ILE A 556 2.206 -6.314 -10.686 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.639 -7.152 -10.585 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -1.321 -5.934 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.088 -7.020 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.321 -5.259 -6.325 1.00 0.00 H new ATOM 1525 N LYS A 557 1.782 -9.784 -8.357 1.00 0.00 N ATOM 1526 CA LYS A 557 1.113 -11.038 -8.677 1.00 0.00 C ATOM 1527 C LYS A 557 0.669 -11.626 -7.357 1.00 0.00 C ATOM 1528 O LYS A 557 1.376 -11.547 -6.363 1.00 0.00 O ATOM 1529 CB LYS A 557 2.057 -11.996 -9.409 1.00 0.00 C ATOM 1530 CG LYS A 557 2.910 -11.320 -10.469 1.00 0.00 C ATOM 1531 CD LYS A 557 3.921 -12.283 -11.069 1.00 0.00 C ATOM 1532 CE LYS A 557 4.396 -11.813 -12.435 1.00 0.00 C ATOM 1533 NZ LYS A 557 4.941 -12.934 -13.250 1.00 0.00 N ATOM 0 H LYS A 557 2.727 -9.879 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 557 0.266 -10.871 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.711 -12.476 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 557 1.469 -12.785 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 557 2.268 -10.927 -11.257 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.432 -10.470 -10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.775 -12.379 -10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.473 -13.273 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 557 3.567 -11.347 -12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 557 5.163 -11.049 -12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 5.254 -12.572 -14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 5.749 -13.363 -12.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 4.202 -13.651 -13.392 1.00 0.00 H new ATOM 1547 N THR A 558 -0.576 -12.069 -7.312 1.00 0.00 N ATOM 1548 CA THR A 558 -1.151 -12.491 -6.050 1.00 0.00 C ATOM 1549 C THR A 558 -0.395 -13.611 -5.343 1.00 0.00 C ATOM 1550 O THR A 558 -0.350 -14.758 -5.790 1.00 0.00 O ATOM 1551 CB THR A 558 -2.605 -12.913 -6.261 1.00 0.00 C ATOM 1552 OG1 THR A 558 -3.139 -13.477 -5.076 1.00 0.00 O ATOM 1553 CG2 THR A 558 -2.778 -13.927 -7.370 1.00 0.00 C ATOM 0 H THR A 558 -1.196 -12.145 -8.118 1.00 0.00 H new ATOM 0 HA THR A 558 -1.080 -11.624 -5.393 1.00 0.00 H new ATOM 0 HB THR A 558 -3.134 -12.001 -6.539 1.00 0.00 H new ATOM 0 HG1 THR A 558 -4.071 -13.740 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 558 -3.833 -14.183 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 558 -2.419 -13.504 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 558 -2.207 -14.825 -7.135 1.00 0.00 H new ATOM 1561 N TRP A 559 0.108 -13.242 -4.170 1.00 0.00 N ATOM 1562 CA TRP A 559 0.786 -14.134 -3.239 1.00 0.00 C ATOM 1563 C TRP A 559 0.316 -13.737 -1.850 1.00 0.00 C ATOM 1564 O TRP A 559 0.598 -12.619 -1.418 1.00 0.00 O ATOM 1565 CB TRP A 559 2.307 -14.021 -3.348 1.00 0.00 C ATOM 1566 CG TRP A 559 2.755 -12.797 -4.074 1.00 0.00 C ATOM 1567 CD1 TRP A 559 2.521 -11.501 -3.719 1.00 0.00 C ATOM 1568 CD2 TRP A 559 3.503 -12.755 -5.292 1.00 0.00 C ATOM 1569 NE1 TRP A 559 3.082 -10.654 -4.640 1.00 0.00 N ATOM 1570 CE2 TRP A 559 3.689 -11.399 -5.616 1.00 0.00 C ATOM 1571 CE3 TRP A 559 4.033 -13.729 -6.140 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 4.379 -10.997 -6.749 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 4.721 -13.324 -7.268 1.00 0.00 C ATOM 1574 CH2 TRP A 559 4.888 -11.968 -7.563 1.00 0.00 C ATOM 0 H TRP A 559 0.053 -12.282 -3.831 1.00 0.00 H new ATOM 0 HA TRP A 559 0.545 -15.173 -3.463 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.737 -14.020 -2.347 1.00 0.00 H new ATOM 0 HB3 TRP A 559 2.695 -14.902 -3.860 1.00 0.00 H new ATOM 0 HD1 TRP A 559 1.974 -11.188 -2.842 1.00 0.00 H new ATOM 0 HE1 TRP A 559 3.052 -9.635 -4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 559 3.908 -14.779 -5.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 4.510 -9.950 -6.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 5.136 -14.067 -7.932 1.00 0.00 H new ATOM 0 HH2 TRP A 559 5.430 -11.683 -8.452 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.437 -14.575 -1.163 1.00 0.00 N ATOM 1586 CA ASN A 560 -0.941 -14.156 0.136 1.00 0.00 C ATOM 1587 C ASN A 560 0.104 -14.235 1.244 1.00 0.00 C ATOM 1588 O ASN A 560 0.619 -13.212 1.683 1.00 0.00 O ATOM 1589 CB ASN A 560 -2.152 -15.005 0.518 1.00 0.00 C ATOM 1590 CG ASN A 560 -3.409 -14.589 -0.222 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -3.544 -13.441 -0.643 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -4.336 -15.525 -0.387 1.00 0.00 N ATOM 0 H ASN A 560 -0.706 -15.512 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 560 -1.221 -13.107 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -1.939 -16.053 0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.323 -14.926 1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -5.202 -15.304 -0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -4.183 -16.465 -0.021 1.00 0.00 H new ATOM 1599 N ALA A 561 0.385 -15.443 1.711 1.00 0.00 N ATOM 1600 CA ALA A 561 1.337 -15.660 2.801 1.00 0.00 C ATOM 1601 C ALA A 561 2.816 -15.524 2.435 1.00 0.00 C ATOM 1602 O ALA A 561 3.570 -14.832 3.119 1.00 0.00 O ATOM 1603 CB ALA A 561 1.069 -16.992 3.454 1.00 0.00 C ATOM 0 H ALA A 561 -0.036 -16.299 1.350 1.00 0.00 H new ATOM 0 HA ALA A 561 1.162 -14.841 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.780 -17.149 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 561 0.055 -17.004 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 561 1.178 -17.787 2.717 1.00 0.00 H new ATOM 1609 N SER A 562 3.246 -16.242 1.413 1.00 0.00 N ATOM 1610 CA SER A 562 4.654 -16.248 1.026 1.00 0.00 C ATOM 1611 C SER A 562 5.256 -14.849 0.896 1.00 0.00 C ATOM 1612 O SER A 562 6.285 -14.544 1.510 1.00 0.00 O ATOM 1613 CB SER A 562 4.830 -17.007 -0.291 1.00 0.00 C ATOM 1614 OG SER A 562 4.544 -18.385 -0.128 1.00 0.00 O ATOM 0 H SER A 562 2.645 -16.829 0.834 1.00 0.00 H new ATOM 0 HA SER A 562 5.192 -16.749 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 562 4.172 -16.583 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 562 5.851 -16.885 -0.651 1.00 0.00 H new ATOM 0 HG SER A 562 4.662 -18.847 -0.984 1.00 0.00 H new ATOM 1620 N LYS A 563 4.636 -14.012 0.085 1.00 0.00 N ATOM 1621 CA LYS A 563 5.147 -12.666 -0.143 1.00 0.00 C ATOM 1622 C LYS A 563 4.978 -11.771 1.074 1.00 0.00 C ATOM 1623 O LYS A 563 5.912 -11.080 1.476 1.00 0.00 O ATOM 1624 CB LYS A 563 4.496 -12.038 -1.373 1.00 0.00 C ATOM 1625 CG LYS A 563 5.316 -12.243 -2.638 1.00 0.00 C ATOM 1626 CD LYS A 563 5.439 -13.717 -2.991 1.00 0.00 C ATOM 1627 CE LYS A 563 6.770 -14.290 -2.529 1.00 0.00 C ATOM 1628 NZ LYS A 563 7.004 -15.657 -3.070 1.00 0.00 N ATOM 0 H LYS A 563 3.782 -14.235 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 563 6.218 -12.758 -0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 563 3.504 -12.468 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 563 4.360 -10.970 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 563 4.850 -11.708 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 563 6.310 -11.817 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 563 4.622 -14.272 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 563 5.341 -13.844 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 563 7.578 -13.631 -2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 563 6.793 -14.322 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 7.921 -16.012 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 6.247 -16.292 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 7.008 -15.623 -4.109 1.00 0.00 H new ATOM 1642 N THR A 564 3.790 -11.769 1.652 1.00 0.00 N ATOM 1643 CA THR A 564 3.514 -10.935 2.815 1.00 0.00 C ATOM 1644 C THR A 564 4.588 -11.107 3.888 1.00 0.00 C ATOM 1645 O THR A 564 5.362 -10.194 4.155 1.00 0.00 O ATOM 1646 CB THR A 564 2.133 -11.251 3.384 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.865 -10.457 4.524 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.951 -12.687 3.778 1.00 0.00 C ATOM 0 H THR A 564 3.000 -12.333 1.338 1.00 0.00 H new ATOM 0 HA THR A 564 3.528 -9.894 2.492 1.00 0.00 H new ATOM 0 HB THR A 564 1.440 -11.030 2.572 1.00 0.00 H new ATOM 0 HG1 THR A 564 0.897 -10.416 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.945 -12.831 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 564 2.093 -13.325 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.682 -12.950 4.543 1.00 0.00 H new ATOM 1656 N GLN A 565 4.640 -12.277 4.495 1.00 0.00 N ATOM 1657 CA GLN A 565 5.621 -12.552 5.526 1.00 0.00 C ATOM 1658 C GLN A 565 7.031 -12.176 5.081 1.00 0.00 C ATOM 1659 O GLN A 565 7.774 -11.551 5.829 1.00 0.00 O ATOM 1660 CB GLN A 565 5.575 -14.018 5.951 1.00 0.00 C ATOM 1661 CG GLN A 565 5.962 -14.230 7.407 1.00 0.00 C ATOM 1662 CD GLN A 565 4.973 -13.600 8.373 1.00 0.00 C ATOM 1663 OE1 GLN A 565 4.123 -14.287 8.940 1.00 0.00 O ATOM 1664 NE2 GLN A 565 5.080 -12.287 8.571 1.00 0.00 N ATOM 0 H GLN A 565 4.012 -13.054 4.291 1.00 0.00 H new ATOM 0 HA GLN A 565 5.364 -11.932 6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.569 -14.406 5.788 1.00 0.00 H new ATOM 0 HB3 GLN A 565 6.246 -14.596 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 565 6.030 -15.299 7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 565 6.952 -13.809 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 565 5.799 -11.754 8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 565 4.443 -11.814 9.213 1.00 0.00 H new ATOM 1673 N GLU A 566 7.413 -12.578 3.875 1.00 0.00 N ATOM 1674 CA GLU A 566 8.758 -12.291 3.381 1.00 0.00 C ATOM 1675 C GLU A 566 9.127 -10.819 3.558 1.00 0.00 C ATOM 1676 O GLU A 566 10.088 -10.489 4.253 1.00 0.00 O ATOM 1677 CB GLU A 566 8.886 -12.677 1.908 1.00 0.00 C ATOM 1678 CG GLU A 566 10.315 -12.609 1.387 1.00 0.00 C ATOM 1679 CD GLU A 566 11.189 -13.717 1.941 1.00 0.00 C ATOM 1680 OE1 GLU A 566 10.911 -14.898 1.644 1.00 0.00 O ATOM 1681 OE2 GLU A 566 12.152 -13.404 2.674 1.00 0.00 O ATOM 0 H GLU A 566 6.821 -13.097 3.227 1.00 0.00 H new ATOM 0 HA GLU A 566 9.450 -12.889 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.505 -13.689 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 566 8.258 -12.016 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 566 10.305 -12.669 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.748 -11.644 1.649 1.00 0.00 H new ATOM 1688 N PHE A 567 8.372 -9.944 2.911 1.00 0.00 N ATOM 1689 CA PHE A 567 8.627 -8.509 2.974 1.00 0.00 C ATOM 1690 C PHE A 567 7.751 -7.824 4.006 1.00 0.00 C ATOM 1691 O PHE A 567 8.229 -7.112 4.890 1.00 0.00 O ATOM 1692 CB PHE A 567 8.370 -7.869 1.613 1.00 0.00 C ATOM 1693 CG PHE A 567 8.321 -8.847 0.490 1.00 0.00 C ATOM 1694 CD1 PHE A 567 9.393 -9.680 0.235 1.00 0.00 C ATOM 1695 CD2 PHE A 567 7.192 -8.940 -0.301 1.00 0.00 C ATOM 1696 CE1 PHE A 567 9.341 -10.589 -0.796 1.00 0.00 C ATOM 1697 CE2 PHE A 567 7.133 -9.847 -1.329 1.00 0.00 C ATOM 1698 CZ PHE A 567 8.208 -10.671 -1.576 1.00 0.00 C ATOM 0 H PHE A 567 7.573 -10.203 2.333 1.00 0.00 H new ATOM 0 HA PHE A 567 9.670 -8.381 3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 567 7.427 -7.324 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 567 9.153 -7.137 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 567 10.279 -9.617 0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 567 6.349 -8.293 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 567 10.184 -11.235 -0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 567 6.246 -9.914 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 567 8.163 -11.385 -2.385 1.00 0.00 H new ATOM 1708 N ILE A 568 6.460 -8.041 3.857 1.00 0.00 N ATOM 1709 CA ILE A 568 5.441 -7.472 4.722 1.00 0.00 C ATOM 1710 C ILE A 568 5.635 -7.795 6.181 1.00 0.00 C ATOM 1711 O ILE A 568 4.781 -7.483 7.006 1.00 0.00 O ATOM 1712 CB ILE A 568 4.021 -7.792 4.226 1.00 0.00 C ATOM 1713 CG1 ILE A 568 3.717 -6.844 3.087 1.00 0.00 C ATOM 1714 CG2 ILE A 568 2.965 -7.670 5.318 1.00 0.00 C ATOM 1715 CD1 ILE A 568 4.669 -7.003 1.925 1.00 0.00 C ATOM 0 H ILE A 568 6.080 -8.630 3.116 1.00 0.00 H new ATOM 0 HA ILE A 568 5.565 -6.391 4.655 1.00 0.00 H new ATOM 0 HB ILE A 568 3.987 -8.832 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 568 2.697 -7.013 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 568 3.764 -5.818 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 568 1.985 -7.908 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 568 3.196 -8.363 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 568 2.958 -6.651 5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 568 4.403 -6.298 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 568 5.688 -6.806 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 568 4.604 -8.020 1.538 1.00 0.00 H new ATOM 1727 N ILE A 569 6.765 -8.376 6.529 1.00 0.00 N ATOM 1728 CA ILE A 569 7.006 -8.646 7.927 1.00 0.00 C ATOM 1729 C ILE A 569 6.829 -7.305 8.602 1.00 0.00 C ATOM 1730 O ILE A 569 6.235 -7.198 9.674 1.00 0.00 O ATOM 1731 CB ILE A 569 8.445 -9.142 8.216 1.00 0.00 C ATOM 1732 CG1 ILE A 569 9.457 -8.492 7.250 1.00 0.00 C ATOM 1733 CG2 ILE A 569 8.522 -10.659 8.154 1.00 0.00 C ATOM 1734 CD1 ILE A 569 10.856 -9.064 7.357 1.00 0.00 C ATOM 0 H ILE A 569 7.506 -8.661 5.888 1.00 0.00 H new ATOM 0 HA ILE A 569 6.335 -9.431 8.276 1.00 0.00 H new ATOM 0 HB ILE A 569 8.709 -8.838 9.229 1.00 0.00 H new ATOM 0 HG12 ILE A 569 9.101 -8.616 6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 569 9.496 -7.421 7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 569 9.543 -10.980 8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 569 7.849 -11.088 8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 569 8.229 -10.998 7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 569 11.511 -8.558 6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 569 11.233 -8.916 8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 569 10.831 -10.130 7.131 1.00 0.00 H new ATOM 1746 N ASP A 570 7.274 -6.276 7.877 1.00 0.00 N ATOM 1747 CA ASP A 570 7.100 -4.896 8.279 1.00 0.00 C ATOM 1748 C ASP A 570 7.165 -4.731 9.770 1.00 0.00 C ATOM 1749 O ASP A 570 6.217 -4.224 10.373 1.00 0.00 O ATOM 1750 CB ASP A 570 5.773 -4.349 7.753 1.00 0.00 C ATOM 1751 CG ASP A 570 4.580 -5.176 8.183 1.00 0.00 C ATOM 1752 OD1 ASP A 570 4.523 -5.578 9.363 1.00 0.00 O ATOM 1753 OD2 ASP A 570 3.692 -5.412 7.339 1.00 0.00 O ATOM 0 H ASP A 570 7.767 -6.387 6.991 1.00 0.00 H new ATOM 0 HA ASP A 570 7.923 -4.329 7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.644 -3.325 8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 570 5.808 -4.311 6.664 1.00 0.00 H new ATOM 1758 N GLY A 571 8.260 -5.136 10.384 1.00 0.00 N ATOM 1759 CA GLY A 571 8.322 -4.966 11.811 1.00 0.00 C ATOM 1760 C GLY A 571 7.971 -3.538 12.124 1.00 0.00 C ATOM 1761 O GLY A 571 7.128 -3.263 12.978 1.00 0.00 O ATOM 0 H GLY A 571 9.075 -5.562 9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 571 7.629 -5.646 12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 571 9.320 -5.203 12.180 1.00 0.00 H new ATOM 1765 N ASP A 572 8.559 -2.626 11.355 1.00 0.00 N ATOM 1766 CA ASP A 572 8.234 -1.225 11.480 1.00 0.00 C ATOM 1767 C ASP A 572 7.680 -0.628 10.176 1.00 0.00 C ATOM 1768 O ASP A 572 7.121 0.469 10.203 1.00 0.00 O ATOM 1769 CB ASP A 572 9.472 -0.440 11.919 1.00 0.00 C ATOM 1770 CG ASP A 572 9.630 -0.407 13.427 1.00 0.00 C ATOM 1771 OD1 ASP A 572 8.772 0.202 14.101 1.00 0.00 O ATOM 1772 OD2 ASP A 572 10.612 -0.989 13.933 1.00 0.00 O ATOM 0 H ASP A 572 9.259 -2.839 10.644 1.00 0.00 H new ATOM 0 HA ASP A 572 7.450 -1.145 12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.360 -0.888 11.473 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.405 0.580 11.541 1.00 0.00 H new ATOM 1777 N LEU A 573 7.867 -1.301 9.015 1.00 0.00 N ATOM 1778 CA LEU A 573 7.394 -0.713 7.762 1.00 0.00 C ATOM 1779 C LEU A 573 6.774 -1.675 6.773 1.00 0.00 C ATOM 1780 O LEU A 573 7.330 -2.719 6.454 1.00 0.00 O ATOM 1781 CB LEU A 573 8.530 0.036 7.073 1.00 0.00 C ATOM 1782 CG LEU A 573 8.083 1.093 6.061 1.00 0.00 C ATOM 1783 CD1 LEU A 573 7.987 2.459 6.722 1.00 0.00 C ATOM 1784 CD2 LEU A 573 9.040 1.137 4.878 1.00 0.00 C ATOM 0 H LEU A 573 8.322 -2.210 8.930 1.00 0.00 H new ATOM 0 HA LEU A 573 6.589 -0.044 8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.142 0.519 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.167 -0.687 6.564 1.00 0.00 H new ATOM 0 HG LEU A 573 7.094 0.820 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.668 3.197 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.262 2.420 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 573 8.962 2.740 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.707 1.894 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 573 10.042 1.385 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 573 9.058 0.163 4.388 1.00 0.00 H new ATOM 1796 N LEU A 574 5.672 -1.235 6.211 1.00 0.00 N ATOM 1797 CA LEU A 574 5.013 -1.948 5.142 1.00 0.00 C ATOM 1798 C LEU A 574 4.625 -0.908 4.094 1.00 0.00 C ATOM 1799 O LEU A 574 4.052 0.118 4.445 1.00 0.00 O ATOM 1800 CB LEU A 574 3.783 -2.688 5.680 1.00 0.00 C ATOM 1801 CG LEU A 574 2.663 -2.974 4.673 1.00 0.00 C ATOM 1802 CD1 LEU A 574 3.232 -3.425 3.334 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.716 -4.024 5.237 1.00 0.00 C ATOM 0 H LEU A 574 5.206 -0.370 6.483 1.00 0.00 H new ATOM 0 HA LEU A 574 5.666 -2.701 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 574 4.113 -3.637 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.364 -2.104 6.499 1.00 0.00 H new ATOM 0 HG LEU A 574 2.107 -2.052 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 574 2.415 -3.621 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 574 3.873 -2.642 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 574 3.815 -4.335 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 574 0.922 -4.223 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 574 2.267 -4.944 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.279 -3.658 6.166 1.00 0.00 H new ATOM 1815 N ILE A 575 4.897 -1.150 2.825 1.00 0.00 N ATOM 1816 CA ILE A 575 4.506 -0.181 1.789 1.00 0.00 C ATOM 1817 C ILE A 575 3.856 -0.855 0.602 1.00 0.00 C ATOM 1818 O ILE A 575 4.305 -1.905 0.133 1.00 0.00 O ATOM 1819 CB ILE A 575 5.667 0.694 1.258 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.030 0.117 1.631 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.528 2.117 1.772 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.184 1.056 1.351 1.00 0.00 C ATOM 0 H ILE A 575 5.374 -1.983 2.481 1.00 0.00 H new ATOM 0 HA ILE A 575 3.798 0.470 2.301 1.00 0.00 H new ATOM 0 HB ILE A 575 5.607 0.702 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.029 -0.138 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.186 -0.810 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.350 2.723 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 575 4.581 2.536 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.553 2.114 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.120 0.579 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.211 1.292 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.053 1.975 1.923 1.00 0.00 H new ATOM 1834 N LEU A 576 2.825 -0.211 0.093 1.00 0.00 N ATOM 1835 CA LEU A 576 2.119 -0.691 -1.065 1.00 0.00 C ATOM 1836 C LEU A 576 1.925 0.456 -2.025 1.00 0.00 C ATOM 1837 O LEU A 576 1.532 1.548 -1.619 1.00 0.00 O ATOM 1838 CB LEU A 576 0.749 -1.259 -0.658 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.485 -0.635 -1.353 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -1.000 -1.554 -2.462 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.574 -0.369 -0.330 1.00 0.00 C ATOM 0 H LEU A 576 2.457 0.660 0.475 1.00 0.00 H new ATOM 0 HA LEU A 576 2.698 -1.484 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.749 -2.330 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.634 -1.136 0.419 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.192 0.311 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.868 -1.098 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -0.216 -1.704 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -1.284 -2.516 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.440 0.070 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.864 -1.306 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.201 0.321 0.427 1.00 0.00 H new ATOM 1853 N LYS A 577 2.143 0.214 -3.287 1.00 0.00 N ATOM 1854 CA LYS A 577 1.921 1.248 -4.274 1.00 0.00 C ATOM 1855 C LYS A 577 0.987 0.721 -5.343 1.00 0.00 C ATOM 1856 O LYS A 577 1.171 -0.390 -5.831 1.00 0.00 O ATOM 1857 CB LYS A 577 3.243 1.687 -4.904 1.00 0.00 C ATOM 1858 CG LYS A 577 4.241 2.246 -3.905 1.00 0.00 C ATOM 1859 CD LYS A 577 5.489 1.378 -3.805 1.00 0.00 C ATOM 1860 CE LYS A 577 5.293 0.237 -2.820 1.00 0.00 C ATOM 1861 NZ LYS A 577 6.530 -0.041 -2.039 1.00 0.00 N ATOM 0 H LYS A 577 2.470 -0.677 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 577 1.473 2.114 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 577 3.692 0.835 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 577 3.040 2.443 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 577 4.524 3.256 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 577 3.771 2.321 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 577 5.733 0.975 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 577 6.335 1.990 -3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 577 4.480 0.483 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 577 4.995 -0.662 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 6.284 -0.563 -1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 7.183 -0.611 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 6.988 0.857 -1.783 1.00 0.00 H new ATOM 1875 N LEU A 578 0.011 1.512 -5.740 1.00 0.00 N ATOM 1876 CA LEU A 578 -0.893 1.088 -6.791 1.00 0.00 C ATOM 1877 C LEU A 578 -0.922 2.161 -7.861 1.00 0.00 C ATOM 1878 O LEU A 578 -1.077 3.358 -7.565 1.00 0.00 O ATOM 1879 CB LEU A 578 -2.294 0.837 -6.220 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.327 0.094 -4.875 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -3.334 0.734 -3.922 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -2.648 -1.383 -5.084 1.00 0.00 C ATOM 0 H LEU A 578 -0.176 2.439 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.547 0.152 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -2.798 1.796 -6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -2.869 0.264 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.338 0.170 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -3.338 0.190 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -3.055 1.772 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -4.329 0.698 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -2.667 -1.891 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -3.622 -1.479 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -1.885 -1.835 -5.718 1.00 0.00 H new ATOM 1894 N GLY A 579 -0.779 1.720 -9.104 1.00 0.00 N ATOM 1895 CA GLY A 579 -0.759 2.636 -10.216 1.00 0.00 C ATOM 1896 C GLY A 579 -2.114 2.895 -10.801 1.00 0.00 C ATOM 1897 O GLY A 579 -2.241 3.705 -11.720 1.00 0.00 O ATOM 0 H GLY A 579 -0.676 0.737 -9.358 1.00 0.00 H new ATOM 0 HA2 GLY A 579 -0.326 3.582 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 579 -0.107 2.238 -10.993 1.00 0.00 H new ATOM 1901 N LYS A 580 -3.142 2.239 -10.280 1.00 0.00 N ATOM 1902 CA LYS A 580 -4.459 2.483 -10.809 1.00 0.00 C ATOM 1903 C LYS A 580 -4.897 3.868 -10.390 1.00 0.00 C ATOM 1904 O LYS A 580 -5.316 4.669 -11.225 1.00 0.00 O ATOM 1905 CB LYS A 580 -5.458 1.425 -10.328 1.00 0.00 C ATOM 1906 CG LYS A 580 -5.369 1.115 -8.842 1.00 0.00 C ATOM 1907 CD LYS A 580 -6.676 1.424 -8.123 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.448 2.284 -6.892 1.00 0.00 C ATOM 1909 NZ LYS A 580 -6.299 1.463 -5.659 1.00 0.00 N ATOM 0 H LYS A 580 -3.087 1.560 -9.520 1.00 0.00 H new ATOM 0 HA LYS A 580 -4.428 2.419 -11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -6.468 1.764 -10.557 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -5.295 0.505 -10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -5.117 0.063 -8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -4.562 1.697 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -7.355 1.937 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -7.161 0.492 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -5.554 2.891 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -7.284 2.972 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -6.078 2.083 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -7.187 0.955 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -5.528 0.777 -5.790 1.00 0.00 H new ATOM 1923 N TRP A 581 -4.744 4.179 -9.104 1.00 0.00 N ATOM 1924 CA TRP A 581 -5.080 5.507 -8.633 1.00 0.00 C ATOM 1925 C TRP A 581 -4.099 6.073 -7.608 1.00 0.00 C ATOM 1926 O TRP A 581 -3.646 7.210 -7.737 1.00 0.00 O ATOM 1927 CB TRP A 581 -6.488 5.515 -8.029 1.00 0.00 C ATOM 1928 CG TRP A 581 -7.581 5.347 -9.041 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -7.578 5.783 -10.333 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -8.845 4.704 -8.836 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -8.757 5.441 -10.949 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -9.552 4.780 -10.051 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -9.446 4.067 -7.747 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -10.829 4.245 -10.205 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -10.714 3.537 -7.900 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -11.393 3.629 -9.122 1.00 0.00 C ATOM 0 H TRP A 581 -4.397 3.540 -8.389 1.00 0.00 H new ATOM 0 HA TRP A 581 -5.027 6.149 -9.512 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -6.562 4.715 -7.292 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -6.640 6.454 -7.497 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -6.767 6.319 -10.803 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -9.001 5.646 -11.918 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -8.929 3.990 -6.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -11.355 4.314 -11.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -11.188 3.044 -7.064 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -12.382 3.205 -9.211 1.00 0.00 H new ATOM 1947 N LYS A 582 -3.850 5.314 -6.540 1.00 0.00 N ATOM 1948 CA LYS A 582 -3.014 5.804 -5.458 1.00 0.00 C ATOM 1949 C LYS A 582 -2.079 4.771 -4.870 1.00 0.00 C ATOM 1950 O LYS A 582 -2.275 3.562 -5.006 1.00 0.00 O ATOM 1951 CB LYS A 582 -3.894 6.380 -4.347 1.00 0.00 C ATOM 1952 CG LYS A 582 -5.085 5.503 -3.997 1.00 0.00 C ATOM 1953 CD LYS A 582 -6.376 6.053 -4.585 1.00 0.00 C ATOM 1954 CE LYS A 582 -7.534 5.922 -3.609 1.00 0.00 C ATOM 1955 NZ LYS A 582 -7.434 6.904 -2.494 1.00 0.00 N ATOM 0 H LYS A 582 -4.213 4.370 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 582 -2.379 6.572 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -3.287 6.527 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -4.254 7.362 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -4.916 4.493 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -5.179 5.431 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -6.239 7.102 -4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -6.613 5.520 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -8.475 6.070 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -7.553 4.911 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -7.932 6.533 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -6.433 7.061 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -7.867 7.804 -2.784 1.00 0.00 H new ATOM 1969 N MET A 583 -1.124 5.266 -4.114 1.00 0.00 N ATOM 1970 CA MET A 583 -0.222 4.429 -3.366 1.00 0.00 C ATOM 1971 C MET A 583 -0.601 4.598 -1.905 1.00 0.00 C ATOM 1972 O MET A 583 -0.801 5.717 -1.420 1.00 0.00 O ATOM 1973 CB MET A 583 1.243 4.831 -3.583 1.00 0.00 C ATOM 1974 CG MET A 583 2.086 4.794 -2.307 1.00 0.00 C ATOM 1975 SD MET A 583 3.821 5.185 -2.599 1.00 0.00 S ATOM 1976 CE MET A 583 4.569 4.525 -1.112 1.00 0.00 C ATOM 0 H MET A 583 -0.953 6.265 -4.003 1.00 0.00 H new ATOM 0 HA MET A 583 -0.307 3.393 -3.693 1.00 0.00 H new ATOM 0 HB2 MET A 583 1.688 4.164 -4.321 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.276 5.837 -4.001 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.676 5.502 -1.586 1.00 0.00 H new ATOM 0 HG3 MET A 583 2.013 3.803 -1.858 1.00 0.00 H new ATOM 0 HE1 MET A 583 5.384 5.176 -0.795 1.00 0.00 H new ATOM 0 HE2 MET A 583 3.820 4.470 -0.322 1.00 0.00 H new ATOM 0 HE3 MET A 583 4.959 3.527 -1.313 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.673 3.495 -1.211 1.00 0.00 N ATOM 1987 CA LYS A 584 -0.998 3.510 0.189 1.00 0.00 C ATOM 1988 C LYS A 584 0.150 2.890 0.944 1.00 0.00 C ATOM 1989 O LYS A 584 0.659 1.831 0.582 1.00 0.00 O ATOM 1990 CB LYS A 584 -2.308 2.738 0.408 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.476 2.121 1.789 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.365 3.169 2.876 1.00 0.00 C ATOM 1993 CE LYS A 584 -3.679 3.901 3.050 1.00 0.00 C ATOM 1994 NZ LYS A 584 -3.705 4.728 4.284 1.00 0.00 N ATOM 0 H LYS A 584 -0.509 2.565 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 584 -1.146 4.527 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -3.144 3.414 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -2.372 1.945 -0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -3.446 1.628 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -1.717 1.354 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -2.079 2.697 3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -1.578 3.880 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -3.854 4.539 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -4.494 3.178 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -4.690 4.960 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -3.272 4.197 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -3.172 5.606 4.125 1.00 0.00 H new ATOM 2008 N LEU A 585 0.544 3.552 1.997 1.00 0.00 N ATOM 2009 CA LEU A 585 1.626 3.087 2.823 1.00 0.00 C ATOM 2010 C LEU A 585 1.073 2.779 4.194 1.00 0.00 C ATOM 2011 O LEU A 585 0.260 3.529 4.729 1.00 0.00 O ATOM 2012 CB LEU A 585 2.724 4.156 2.875 1.00 0.00 C ATOM 2013 CG LEU A 585 3.551 4.216 4.163 1.00 0.00 C ATOM 2014 CD1 LEU A 585 4.094 2.841 4.517 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.684 5.223 4.021 1.00 0.00 C ATOM 0 H LEU A 585 0.125 4.429 2.307 1.00 0.00 H new ATOM 0 HA LEU A 585 2.073 2.180 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 585 3.404 3.990 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.261 5.130 2.720 1.00 0.00 H new ATOM 0 HG LEU A 585 2.901 4.543 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 585 4.678 2.906 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 585 3.265 2.149 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 585 4.729 2.481 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.262 5.253 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 585 5.333 4.927 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 585 4.270 6.211 3.820 1.00 0.00 H new ATOM 2027 N VAL A 586 1.482 1.664 4.746 1.00 0.00 N ATOM 2028 CA VAL A 586 0.987 1.256 6.036 1.00 0.00 C ATOM 2029 C VAL A 586 2.114 0.816 6.958 1.00 0.00 C ATOM 2030 O VAL A 586 3.014 0.083 6.554 1.00 0.00 O ATOM 2031 CB VAL A 586 -0.039 0.112 5.869 1.00 0.00 C ATOM 2032 CG1 VAL A 586 -0.497 -0.434 7.217 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.232 0.593 5.056 1.00 0.00 C ATOM 0 H VAL A 586 2.155 1.024 4.323 1.00 0.00 H new ATOM 0 HA VAL A 586 0.501 2.117 6.495 1.00 0.00 H new ATOM 0 HB VAL A 586 0.451 -0.702 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -1.218 -1.236 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 586 0.363 -0.821 7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.964 0.365 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.948 -0.221 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.709 1.428 5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -0.895 0.917 4.071 1.00 0.00 H new ATOM 2043 N SER A 587 2.036 1.236 8.210 1.00 0.00 N ATOM 2044 CA SER A 587 3.033 0.842 9.198 1.00 0.00 C ATOM 2045 C SER A 587 2.390 -0.174 10.126 1.00 0.00 C ATOM 2046 O SER A 587 1.236 -0.007 10.523 1.00 0.00 O ATOM 2047 CB SER A 587 3.518 2.057 9.993 1.00 0.00 C ATOM 2048 OG SER A 587 4.273 2.934 9.174 1.00 0.00 O ATOM 0 H SER A 587 1.300 1.845 8.567 1.00 0.00 H new ATOM 0 HA SER A 587 3.901 0.408 8.701 1.00 0.00 H new ATOM 0 HB2 SER A 587 2.662 2.589 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 587 4.127 1.726 10.834 1.00 0.00 H new ATOM 0 HG SER A 587 3.857 2.994 8.289 1.00 0.00 H new ATOM 2054 N ILE A 588 3.102 -1.249 10.441 1.00 0.00 N ATOM 2055 CA ILE A 588 2.533 -2.285 11.279 1.00 0.00 C ATOM 2056 C ILE A 588 3.467 -2.733 12.384 1.00 0.00 C ATOM 2057 O ILE A 588 4.661 -2.949 12.173 1.00 0.00 O ATOM 2058 CB ILE A 588 2.097 -3.509 10.436 1.00 0.00 C ATOM 2059 CG1 ILE A 588 2.478 -3.333 8.963 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.601 -3.721 10.551 1.00 0.00 C ATOM 2061 CD1 ILE A 588 1.669 -2.277 8.240 1.00 0.00 C ATOM 0 H ILE A 588 4.059 -1.421 10.132 1.00 0.00 H new ATOM 0 HA ILE A 588 1.658 -1.839 11.752 1.00 0.00 H new ATOM 0 HB ILE A 588 2.619 -4.383 10.826 1.00 0.00 H new ATOM 0 HG12 ILE A 588 3.535 -3.073 8.900 1.00 0.00 H new ATOM 0 HG13 ILE A 588 2.353 -4.286 8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.309 -4.585 9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 588 0.337 -3.896 11.594 1.00 0.00 H new ATOM 0 HG23 ILE A 588 0.079 -2.835 10.188 1.00 0.00 H new ATOM 0 HD11 ILE A 588 1.999 -2.213 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 588 0.613 -2.545 8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 588 1.812 -1.312 8.727 1.00 0.00 H new ATOM 2073 N VAL A 589 2.886 -2.890 13.564 1.00 0.00 N ATOM 2074 CA VAL A 589 3.623 -3.341 14.734 1.00 0.00 C ATOM 2075 C VAL A 589 2.865 -4.451 15.451 1.00 0.00 C ATOM 2076 O VAL A 589 1.647 -4.378 15.616 1.00 0.00 O ATOM 2077 CB VAL A 589 3.888 -2.187 15.719 1.00 0.00 C ATOM 2078 CG1 VAL A 589 4.983 -1.274 15.191 1.00 0.00 C ATOM 2079 CG2 VAL A 589 2.609 -1.405 15.980 1.00 0.00 C ATOM 0 H VAL A 589 1.897 -2.710 13.737 1.00 0.00 H new ATOM 0 HA VAL A 589 4.582 -3.722 14.382 1.00 0.00 H new ATOM 0 HB VAL A 589 4.227 -2.610 16.664 1.00 0.00 H new ATOM 0 HG11 VAL A 589 5.156 -0.465 15.901 1.00 0.00 H new ATOM 0 HG12 VAL A 589 5.902 -1.845 15.061 1.00 0.00 H new ATOM 0 HG13 VAL A 589 4.677 -0.856 14.232 1.00 0.00 H new ATOM 0 HG21 VAL A 589 2.815 -0.594 16.678 1.00 0.00 H new ATOM 0 HG22 VAL A 589 2.238 -0.992 15.042 1.00 0.00 H new ATOM 0 HG23 VAL A 589 1.857 -2.069 16.407 1.00 0.00 H new ATOM 2089 N SER A 590 3.591 -5.480 15.869 1.00 0.00 N ATOM 2090 CA SER A 590 2.983 -6.607 16.564 1.00 0.00 C ATOM 2091 C SER A 590 2.473 -6.190 17.938 1.00 0.00 C ATOM 2092 O SER A 590 2.868 -5.156 18.469 1.00 0.00 O ATOM 2093 CB SER A 590 3.993 -7.747 16.706 1.00 0.00 C ATOM 2094 OG SER A 590 3.560 -8.695 17.667 1.00 0.00 O ATOM 0 H SER A 590 4.600 -5.557 15.739 1.00 0.00 H new ATOM 0 HA SER A 590 2.135 -6.952 15.973 1.00 0.00 H new ATOM 0 HB2 SER A 590 4.130 -8.238 15.742 1.00 0.00 H new ATOM 0 HB3 SER A 590 4.962 -7.344 16.999 1.00 0.00 H new ATOM 0 HG SER A 590 4.222 -9.414 17.738 1.00 0.00 H new