USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 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 497 LYS NZ :NH3+ -149:sc= 0 (180deg=0) USER MOD Set 1.2: A 565 GLN : amide:sc= -3.8! C(o=-3.8!,f=-4.2!) USER MOD Set 2.1: A 534 SER OG : rot -40:sc= -2.95! USER MOD Set 2.2: A 552 THR OG1 : rot -78:sc= -4.11! USER MOD Single : A 494 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 501 TYR OH : rot 44:sc= 0.101 USER MOD Single : A 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 504 THR OG1 : rot 109:sc= -0.221! USER MOD Single : A 506 SER OG : rot 180:sc= 0.12 USER MOD Single : A 507 LYS NZ :NH3+ -121:sc= -5.04! (180deg=-11!) USER MOD Single : A 511 SER OG : rot 84:sc= 0.885 USER MOD Single : A 517 SER OG : rot 180:sc= -4.61! USER MOD Single : A 518 LYS NZ :NH3+ -109:sc= -0.393 (180deg=-1.43!) USER MOD Single : A 519 SER OG : rot 180:sc= -0.464 USER MOD Single : A 522 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 526 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.6!) USER MOD Single : A 527 ASN : amide:sc= -4.68! C(o=-4.7!,f=-4.3!) USER MOD Single : A 528 ASN : amide:sc= -0.841 X(o=-0.84,f=-0.45) USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 THR OG1 : rot 20:sc= -2.78! 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= -3.95 K(o=-4,f=-15!) 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 158:sc= 0.826 USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 LYS NZ :NH3+ 171:sc= -1.18 (180deg=-1.32) USER MOD Single : A 582 LYS NZ :NH3+ -157:sc= -0.0652 (180deg=-0.716) USER MOD Single : A 583 MET CE :methyl -166:sc= -1.3 (180deg=-1.67) USER MOD Single : A 584 LYS NZ :NH3+ -116:sc= -6.22! (180deg=-9.87!) USER MOD Single : A 587 SER OG : rot 180:sc= 0 USER MOD Single : A 590 SER OG : rot -91:sc= 0.0873 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -1.740 8.847 0.724 1.00 0.00 N ATOM 524 CA ALA A 491 -2.441 8.402 1.925 1.00 0.00 C ATOM 525 C ALA A 491 -1.618 7.399 2.732 1.00 0.00 C ATOM 526 O ALA A 491 -1.038 6.467 2.176 1.00 0.00 O ATOM 527 CB ALA A 491 -3.785 7.805 1.546 1.00 0.00 C ATOM 0 HA ALA A 491 -2.597 9.273 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -4.303 7.475 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -4.387 8.558 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -3.631 6.954 0.883 1.00 0.00 H new ATOM 533 N ARG A 492 -1.596 7.586 4.053 1.00 0.00 N ATOM 534 CA ARG A 492 -0.875 6.692 4.945 1.00 0.00 C ATOM 535 C ARG A 492 -1.717 6.342 6.169 1.00 0.00 C ATOM 536 O ARG A 492 -2.305 7.217 6.803 1.00 0.00 O ATOM 537 CB ARG A 492 0.435 7.344 5.390 1.00 0.00 C ATOM 538 CG ARG A 492 1.627 6.405 5.357 1.00 0.00 C ATOM 539 CD ARG A 492 1.582 5.395 6.492 1.00 0.00 C ATOM 540 NE ARG A 492 2.425 5.796 7.618 1.00 0.00 N ATOM 541 CZ ARG A 492 1.990 6.486 8.671 1.00 0.00 C ATOM 542 NH1 ARG A 492 0.719 6.861 8.754 1.00 0.00 N ATOM 543 NH2 ARG A 492 2.831 6.804 9.645 1.00 0.00 N ATOM 0 H ARG A 492 -2.073 8.354 4.525 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.659 5.772 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 492 0.641 8.200 4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.314 7.727 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.649 5.879 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 492 2.548 6.984 5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.553 5.279 6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 492 1.908 4.422 6.124 1.00 0.00 H new ATOM 0 HE ARG A 492 3.409 5.530 7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 492 0.067 6.621 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 492 0.395 7.389 9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 492 3.809 6.520 9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 492 2.500 7.332 10.452 1.00 0.00 H new ATOM 557 N VAL A 493 -1.745 5.063 6.508 1.00 0.00 N ATOM 558 CA VAL A 493 -2.482 4.589 7.669 1.00 0.00 C ATOM 559 C VAL A 493 -1.661 3.576 8.477 1.00 0.00 C ATOM 560 O VAL A 493 -0.700 3.002 7.962 1.00 0.00 O ATOM 561 CB VAL A 493 -3.806 3.936 7.257 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.625 3.558 8.481 1.00 0.00 C ATOM 563 CG2 VAL A 493 -4.591 4.860 6.339 1.00 0.00 C ATOM 0 H VAL A 493 -1.261 4.329 5.991 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.686 5.462 8.289 1.00 0.00 H new ATOM 0 HB VAL A 493 -3.583 3.021 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.560 3.096 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -4.061 2.854 9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.841 4.453 9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -5.528 4.381 6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -4.803 5.794 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -4.005 5.068 5.444 1.00 0.00 H new ATOM 573 N THR A 494 -2.057 3.317 9.725 1.00 0.00 N ATOM 574 CA THR A 494 -1.357 2.320 10.535 1.00 0.00 C ATOM 575 C THR A 494 -2.343 1.275 11.059 1.00 0.00 C ATOM 576 O THR A 494 -3.414 1.609 11.568 1.00 0.00 O ATOM 577 CB THR A 494 -0.629 2.999 11.698 1.00 0.00 C ATOM 578 OG1 THR A 494 0.399 3.848 11.216 1.00 0.00 O ATOM 579 CG2 THR A 494 0.002 2.023 12.669 1.00 0.00 C ATOM 0 H THR A 494 -2.842 3.774 10.189 1.00 0.00 H new ATOM 0 HA THR A 494 -0.619 1.817 9.910 1.00 0.00 H new ATOM 0 HB THR A 494 -1.397 3.563 12.227 1.00 0.00 H new ATOM 0 HG1 THR A 494 0.853 4.275 11.973 1.00 0.00 H new ATOM 0 HG21 THR A 494 0.500 2.574 13.467 1.00 0.00 H new ATOM 0 HG22 THR A 494 -0.771 1.384 13.097 1.00 0.00 H new ATOM 0 HG23 THR A 494 0.732 1.407 12.143 1.00 0.00 H new ATOM 587 N LEU A 495 -1.960 0.006 10.931 1.00 0.00 N ATOM 588 CA LEU A 495 -2.781 -1.112 11.386 1.00 0.00 C ATOM 589 C LEU A 495 -1.924 -2.144 12.122 1.00 0.00 C ATOM 590 O LEU A 495 -0.701 -2.139 11.997 1.00 0.00 O ATOM 591 CB LEU A 495 -3.533 -1.739 10.197 1.00 0.00 C ATOM 592 CG LEU A 495 -3.061 -3.123 9.734 1.00 0.00 C ATOM 593 CD1 LEU A 495 -4.223 -3.909 9.150 1.00 0.00 C ATOM 594 CD2 LEU A 495 -1.942 -2.992 8.713 1.00 0.00 C ATOM 0 H LEU A 495 -1.074 -0.275 10.510 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.524 -0.742 12.092 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.588 -1.811 10.462 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.462 -1.055 9.351 1.00 0.00 H new ATOM 0 HG LEU A 495 -2.675 -3.663 10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -3.873 -4.889 8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -4.996 -4.033 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -4.634 -3.370 8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.620 -3.984 8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -2.302 -2.434 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -1.101 -2.464 9.161 1.00 0.00 H new ATOM 606 N PRO A 496 -2.546 -3.058 12.884 1.00 0.00 N ATOM 607 CA PRO A 496 -1.807 -4.100 13.604 1.00 0.00 C ATOM 608 C PRO A 496 -0.904 -4.902 12.661 1.00 0.00 C ATOM 609 O PRO A 496 -1.382 -5.518 11.708 1.00 0.00 O ATOM 610 CB PRO A 496 -2.910 -4.995 14.177 1.00 0.00 C ATOM 611 CG PRO A 496 -4.123 -4.128 14.232 1.00 0.00 C ATOM 612 CD PRO A 496 -4.001 -3.162 13.085 1.00 0.00 C ATOM 0 HA PRO A 496 -1.146 -3.687 14.366 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -3.077 -5.868 13.546 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -2.644 -5.364 15.167 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -5.032 -4.724 14.144 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -4.180 -3.598 15.183 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.505 -3.532 12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -4.444 -2.195 13.324 1.00 0.00 H new ATOM 620 N LYS A 497 0.401 -4.875 12.921 1.00 0.00 N ATOM 621 CA LYS A 497 1.375 -5.584 12.088 1.00 0.00 C ATOM 622 C LYS A 497 1.149 -7.095 12.086 1.00 0.00 C ATOM 623 O LYS A 497 1.475 -7.778 11.117 1.00 0.00 O ATOM 624 CB LYS A 497 2.794 -5.289 12.580 1.00 0.00 C ATOM 625 CG LYS A 497 3.879 -5.909 11.715 1.00 0.00 C ATOM 626 CD LYS A 497 4.356 -7.235 12.284 1.00 0.00 C ATOM 627 CE LYS A 497 4.610 -8.256 11.187 1.00 0.00 C ATOM 628 NZ LYS A 497 4.088 -9.603 11.550 1.00 0.00 N ATOM 0 H LYS A 497 0.812 -4.368 13.705 1.00 0.00 H new ATOM 0 HA LYS A 497 1.244 -5.225 11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.941 -4.209 12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 497 2.900 -5.657 13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 497 3.498 -6.061 10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 497 4.721 -5.221 11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 497 5.271 -7.078 12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 497 3.610 -7.623 12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 497 4.139 -7.921 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 497 5.681 -8.322 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 4.680 -10.335 11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 4.109 -9.717 12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 3.109 -9.699 11.211 1.00 0.00 H new ATOM 642 N SER A 498 0.626 -7.610 13.188 1.00 0.00 N ATOM 643 CA SER A 498 0.397 -9.049 13.332 1.00 0.00 C ATOM 644 C SER A 498 -0.521 -9.620 12.247 1.00 0.00 C ATOM 645 O SER A 498 -0.220 -10.661 11.662 1.00 0.00 O ATOM 646 CB SER A 498 -0.195 -9.346 14.710 1.00 0.00 C ATOM 647 OG SER A 498 0.826 -9.568 15.668 1.00 0.00 O ATOM 0 H SER A 498 0.350 -7.057 13.999 1.00 0.00 H new ATOM 0 HA SER A 498 1.367 -9.535 13.222 1.00 0.00 H new ATOM 0 HB2 SER A 498 -0.821 -8.512 15.028 1.00 0.00 H new ATOM 0 HB3 SER A 498 -0.839 -10.223 14.651 1.00 0.00 H new ATOM 0 HG SER A 498 0.421 -9.754 16.541 1.00 0.00 H new ATOM 653 N LEU A 499 -1.643 -8.957 11.995 1.00 0.00 N ATOM 654 CA LEU A 499 -2.603 -9.427 10.997 1.00 0.00 C ATOM 655 C LEU A 499 -2.103 -9.225 9.566 1.00 0.00 C ATOM 656 O LEU A 499 -2.730 -9.691 8.613 1.00 0.00 O ATOM 657 CB LEU A 499 -3.944 -8.720 11.186 1.00 0.00 C ATOM 658 CG LEU A 499 -3.959 -7.250 10.768 1.00 0.00 C ATOM 659 CD1 LEU A 499 -4.582 -7.099 9.387 1.00 0.00 C ATOM 660 CD2 LEU A 499 -4.712 -6.410 11.788 1.00 0.00 C ATOM 0 H LEU A 499 -1.913 -8.093 12.466 1.00 0.00 H new ATOM 0 HA LEU A 499 -2.727 -10.499 11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -4.704 -9.253 10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -4.229 -8.787 12.236 1.00 0.00 H new ATOM 0 HG LEU A 499 -2.930 -6.893 10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -4.586 -6.047 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.001 -7.669 8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -5.606 -7.473 9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -4.711 -5.367 11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -5.740 -6.765 11.864 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -4.226 -6.495 12.760 1.00 0.00 H new ATOM 672 N VAL A 500 -0.984 -8.528 9.414 1.00 0.00 N ATOM 673 CA VAL A 500 -0.418 -8.269 8.095 1.00 0.00 C ATOM 674 C VAL A 500 0.242 -9.520 7.521 1.00 0.00 C ATOM 675 O VAL A 500 0.382 -9.671 6.309 1.00 0.00 O ATOM 676 CB VAL A 500 0.628 -7.141 8.155 1.00 0.00 C ATOM 677 CG1 VAL A 500 1.135 -6.810 6.763 1.00 0.00 C ATOM 678 CG2 VAL A 500 0.055 -5.903 8.827 1.00 0.00 C ATOM 0 H VAL A 500 -0.450 -8.132 10.187 1.00 0.00 H new ATOM 0 HA VAL A 500 -1.242 -7.968 7.449 1.00 0.00 H new ATOM 0 HB VAL A 500 1.469 -7.490 8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 500 1.873 -6.011 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 500 1.595 -7.695 6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 500 0.302 -6.486 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 500 0.814 -5.121 8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -0.808 -5.550 8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.252 -6.150 9.843 1.00 0.00 H new ATOM 688 N TYR A 501 0.668 -10.389 8.421 1.00 0.00 N ATOM 689 CA TYR A 501 1.353 -11.628 8.080 1.00 0.00 C ATOM 690 C TYR A 501 0.599 -12.522 7.082 1.00 0.00 C ATOM 691 O TYR A 501 1.220 -13.327 6.400 1.00 0.00 O ATOM 692 CB TYR A 501 1.654 -12.418 9.356 1.00 0.00 C ATOM 693 CG TYR A 501 0.531 -13.336 9.779 1.00 0.00 C ATOM 694 CD1 TYR A 501 -0.762 -12.855 9.926 1.00 0.00 C ATOM 695 CD2 TYR A 501 0.762 -14.684 10.019 1.00 0.00 C ATOM 696 CE1 TYR A 501 -1.794 -13.688 10.302 1.00 0.00 C ATOM 697 CE2 TYR A 501 -0.265 -15.525 10.393 1.00 0.00 C ATOM 698 CZ TYR A 501 -1.542 -15.024 10.534 1.00 0.00 C ATOM 699 OH TYR A 501 -2.569 -15.860 10.908 1.00 0.00 O ATOM 0 H TYR A 501 0.547 -10.254 9.425 1.00 0.00 H new ATOM 0 HA TYR A 501 2.273 -11.331 7.576 1.00 0.00 H new ATOM 0 HB2 TYR A 501 2.557 -13.009 9.203 1.00 0.00 H new ATOM 0 HB3 TYR A 501 1.864 -11.719 10.165 1.00 0.00 H new ATOM 0 HD1 TYR A 501 -0.963 -11.810 9.743 1.00 0.00 H new ATOM 0 HD2 TYR A 501 1.761 -15.080 9.911 1.00 0.00 H new ATOM 0 HE1 TYR A 501 -2.794 -13.297 10.414 1.00 0.00 H new ATOM 0 HE2 TYR A 501 -0.070 -16.572 10.575 1.00 0.00 H new ATOM 0 HH TYR A 501 -3.356 -15.681 10.352 1.00 0.00 H new ATOM 709 N ASP A 502 -0.729 -12.473 7.069 1.00 0.00 N ATOM 710 CA ASP A 502 -1.501 -13.384 6.207 1.00 0.00 C ATOM 711 C ASP A 502 -1.509 -13.027 4.706 1.00 0.00 C ATOM 712 O ASP A 502 -1.243 -13.896 3.877 1.00 0.00 O ATOM 713 CB ASP A 502 -2.944 -13.461 6.710 1.00 0.00 C ATOM 714 CG ASP A 502 -3.133 -14.539 7.758 1.00 0.00 C ATOM 715 OD1 ASP A 502 -2.466 -15.590 7.658 1.00 0.00 O ATOM 716 OD2 ASP A 502 -3.950 -14.333 8.681 1.00 0.00 O ATOM 0 H ASP A 502 -1.290 -11.831 7.629 1.00 0.00 H new ATOM 0 HA ASP A 502 -0.991 -14.345 6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.232 -12.497 7.128 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -3.609 -13.655 5.869 1.00 0.00 H new ATOM 721 N LYS A 503 -1.812 -11.779 4.342 1.00 0.00 N ATOM 722 CA LYS A 503 -1.841 -11.392 2.938 1.00 0.00 C ATOM 723 C LYS A 503 -0.831 -10.293 2.647 1.00 0.00 C ATOM 724 O LYS A 503 -0.700 -9.331 3.401 1.00 0.00 O ATOM 725 CB LYS A 503 -3.246 -10.957 2.526 1.00 0.00 C ATOM 726 CG LYS A 503 -3.949 -11.954 1.621 1.00 0.00 C ATOM 727 CD LYS A 503 -4.784 -12.941 2.421 1.00 0.00 C ATOM 728 CE LYS A 503 -6.094 -13.263 1.718 1.00 0.00 C ATOM 729 NZ LYS A 503 -7.227 -12.468 2.266 1.00 0.00 N ATOM 0 H LYS A 503 -2.038 -11.029 4.995 1.00 0.00 H new ATOM 0 HA LYS A 503 -1.564 -12.265 2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -3.848 -10.805 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.185 -9.996 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -4.589 -11.421 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -3.210 -12.496 1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -4.217 -13.859 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -4.992 -12.527 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -5.992 -13.063 0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -6.311 -14.326 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -8.102 -12.716 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -7.340 -12.678 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -7.032 -11.454 2.142 1.00 0.00 H new ATOM 743 N THR A 504 -0.104 -10.448 1.563 1.00 0.00 N ATOM 744 CA THR A 504 0.898 -9.459 1.191 1.00 0.00 C ATOM 745 C THR A 504 0.284 -8.161 0.646 1.00 0.00 C ATOM 746 O THR A 504 0.243 -7.147 1.340 1.00 0.00 O ATOM 747 CB THR A 504 1.827 -10.055 0.139 1.00 0.00 C ATOM 748 OG1 THR A 504 2.084 -11.420 0.410 1.00 0.00 O ATOM 749 CG2 THR A 504 3.159 -9.343 0.036 1.00 0.00 C ATOM 0 H THR A 504 -0.182 -11.240 0.925 1.00 0.00 H new ATOM 0 HA THR A 504 1.447 -9.201 2.097 1.00 0.00 H new ATOM 0 HB THR A 504 1.301 -9.935 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.629 -11.977 -0.256 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.768 -9.820 -0.731 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.994 -8.299 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.675 -9.397 0.994 1.00 0.00 H new ATOM 757 N PHE A 505 -0.179 -8.198 -0.608 1.00 0.00 N ATOM 758 CA PHE A 505 -0.776 -7.026 -1.250 1.00 0.00 C ATOM 759 C PHE A 505 -2.194 -6.707 -0.777 1.00 0.00 C ATOM 760 O PHE A 505 -2.471 -5.605 -0.310 1.00 0.00 O ATOM 761 CB PHE A 505 -0.727 -7.135 -2.779 1.00 0.00 C ATOM 762 CG PHE A 505 -0.171 -5.895 -3.415 1.00 0.00 C ATOM 763 CD1 PHE A 505 1.195 -5.745 -3.591 1.00 0.00 C ATOM 764 CD2 PHE A 505 -1.010 -4.870 -3.816 1.00 0.00 C ATOM 765 CE1 PHE A 505 1.713 -4.595 -4.155 1.00 0.00 C ATOM 766 CE2 PHE A 505 -0.499 -3.721 -4.385 1.00 0.00 C ATOM 767 CZ PHE A 505 0.864 -3.582 -4.554 1.00 0.00 C ATOM 0 H PHE A 505 -0.151 -9.029 -1.198 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.158 -6.186 -0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -0.116 -7.992 -3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -1.731 -7.319 -3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 505 1.863 -6.536 -3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 505 -2.077 -4.970 -3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 505 2.780 -4.489 -4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 505 -1.165 -2.931 -4.698 1.00 0.00 H new ATOM 0 HZ PHE A 505 1.265 -2.683 -4.997 1.00 0.00 H new ATOM 777 N SER A 506 -3.100 -7.659 -0.982 1.00 0.00 N ATOM 778 CA SER A 506 -4.513 -7.482 -0.669 1.00 0.00 C ATOM 779 C SER A 506 -4.793 -6.927 0.725 1.00 0.00 C ATOM 780 O SER A 506 -5.212 -5.780 0.869 1.00 0.00 O ATOM 781 CB SER A 506 -5.228 -8.827 -0.813 1.00 0.00 C ATOM 782 OG SER A 506 -6.633 -8.657 -0.868 1.00 0.00 O ATOM 0 H SER A 506 -2.874 -8.575 -1.370 1.00 0.00 H new ATOM 0 HA SER A 506 -4.885 -6.739 -1.374 1.00 0.00 H new ATOM 0 HB2 SER A 506 -4.884 -9.330 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 506 -4.970 -9.471 0.028 1.00 0.00 H new ATOM 0 HG SER A 506 -7.065 -9.532 -0.961 1.00 0.00 H new ATOM 788 N LYS A 507 -4.601 -7.746 1.747 1.00 0.00 N ATOM 789 CA LYS A 507 -4.904 -7.325 3.111 1.00 0.00 C ATOM 790 C LYS A 507 -4.294 -5.973 3.440 1.00 0.00 C ATOM 791 O LYS A 507 -4.976 -5.095 3.973 1.00 0.00 O ATOM 792 CB LYS A 507 -4.470 -8.378 4.123 1.00 0.00 C ATOM 793 CG LYS A 507 -2.973 -8.604 4.176 1.00 0.00 C ATOM 794 CD LYS A 507 -2.228 -7.616 5.069 1.00 0.00 C ATOM 795 CE LYS A 507 -3.089 -7.052 6.197 1.00 0.00 C ATOM 796 NZ LYS A 507 -2.388 -5.976 6.948 1.00 0.00 N ATOM 0 H LYS A 507 -4.241 -8.697 1.663 1.00 0.00 H new ATOM 0 HA LYS A 507 -5.987 -7.216 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -4.817 -8.080 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -4.961 -9.321 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -2.781 -9.616 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -2.570 -8.540 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -1.357 -8.111 5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -1.857 -6.793 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -4.018 -6.659 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -3.360 -7.855 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -2.312 -6.245 7.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -1.436 -5.841 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -2.926 -5.089 6.867 1.00 0.00 H new ATOM 810 N VAL A 508 -3.024 -5.800 3.134 1.00 0.00 N ATOM 811 CA VAL A 508 -2.342 -4.548 3.416 1.00 0.00 C ATOM 812 C VAL A 508 -3.104 -3.342 2.872 1.00 0.00 C ATOM 813 O VAL A 508 -3.472 -2.439 3.624 1.00 0.00 O ATOM 814 CB VAL A 508 -0.920 -4.537 2.820 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.317 -3.140 2.874 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.031 -5.534 3.544 1.00 0.00 C ATOM 0 H VAL A 508 -2.441 -6.509 2.690 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.289 -4.473 4.502 1.00 0.00 H new ATOM 0 HB VAL A 508 -0.989 -4.833 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.686 -3.160 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -0.941 -2.452 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.264 -2.806 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.969 -5.512 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 508 0.026 -5.270 4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.449 -6.535 3.442 1.00 0.00 H new ATOM 826 N LEU A 509 -3.293 -3.312 1.567 1.00 0.00 N ATOM 827 CA LEU A 509 -3.945 -2.189 0.906 1.00 0.00 C ATOM 828 C LEU A 509 -5.365 -1.870 1.382 1.00 0.00 C ATOM 829 O LEU A 509 -5.627 -0.748 1.813 1.00 0.00 O ATOM 830 CB LEU A 509 -3.933 -2.392 -0.615 1.00 0.00 C ATOM 831 CG LEU A 509 -4.934 -3.405 -1.160 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.258 -2.729 -1.466 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.380 -4.088 -2.398 1.00 0.00 C ATOM 0 H LEU A 509 -3.003 -4.058 0.935 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.354 -1.319 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.123 -1.430 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -2.932 -2.703 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.106 -4.166 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -6.961 -3.466 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.661 -2.288 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -6.104 -1.947 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.108 -4.807 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.179 -3.341 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.455 -4.606 -2.145 1.00 0.00 H new ATOM 845 N TRP A 510 -6.296 -2.803 1.240 1.00 0.00 N ATOM 846 CA TRP A 510 -7.685 -2.524 1.596 1.00 0.00 C ATOM 847 C TRP A 510 -7.948 -2.432 3.091 1.00 0.00 C ATOM 848 O TRP A 510 -8.564 -1.483 3.576 1.00 0.00 O ATOM 849 CB TRP A 510 -8.621 -3.565 0.970 1.00 0.00 C ATOM 850 CG TRP A 510 -8.337 -4.969 1.399 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.575 -5.886 0.740 1.00 0.00 C ATOM 852 CD2 TRP A 510 -8.826 -5.623 2.577 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.545 -7.067 1.442 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.308 -6.931 2.572 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.647 -5.229 3.638 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -8.584 -7.847 3.585 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -9.922 -6.138 4.643 1.00 0.00 C ATOM 858 CH2 TRP A 510 -9.390 -7.434 4.609 1.00 0.00 C ATOM 0 H TRP A 510 -6.123 -3.744 0.888 1.00 0.00 H new ATOM 0 HA TRP A 510 -7.890 -1.533 1.191 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.650 -3.317 1.230 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.543 -3.504 -0.115 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.068 -5.710 -0.197 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.037 -7.908 1.167 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -10.059 -4.231 3.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.176 -8.847 3.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -10.556 -5.845 5.466 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -9.622 -8.121 5.409 1.00 0.00 H new ATOM 869 N SER A 511 -7.524 -3.442 3.801 1.00 0.00 N ATOM 870 CA SER A 511 -7.750 -3.534 5.226 1.00 0.00 C ATOM 871 C SER A 511 -7.044 -2.449 6.008 1.00 0.00 C ATOM 872 O SER A 511 -7.606 -1.867 6.935 1.00 0.00 O ATOM 873 CB SER A 511 -7.307 -4.905 5.736 1.00 0.00 C ATOM 874 OG SER A 511 -8.050 -5.288 6.881 1.00 0.00 O ATOM 0 H SER A 511 -7.009 -4.231 3.409 1.00 0.00 H new ATOM 0 HA SER A 511 -8.820 -3.398 5.384 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.436 -5.648 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.245 -4.880 5.979 1.00 0.00 H new ATOM 0 HG SER A 511 -8.900 -5.688 6.601 1.00 0.00 H new ATOM 880 N ALA A 512 -5.781 -2.262 5.701 1.00 0.00 N ATOM 881 CA ALA A 512 -4.957 -1.343 6.445 1.00 0.00 C ATOM 882 C ALA A 512 -5.218 0.139 6.269 1.00 0.00 C ATOM 883 O ALA A 512 -5.637 0.806 7.217 1.00 0.00 O ATOM 884 CB ALA A 512 -3.492 -1.632 6.163 1.00 0.00 C ATOM 0 H ALA A 512 -5.302 -2.738 4.937 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.236 -1.533 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -2.869 -0.937 6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.258 -2.653 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.296 -1.513 5.097 1.00 0.00 H new ATOM 890 N GLY A 513 -4.843 0.687 5.127 1.00 0.00 N ATOM 891 CA GLY A 513 -4.927 2.128 4.993 1.00 0.00 C ATOM 892 C GLY A 513 -5.874 2.766 4.016 1.00 0.00 C ATOM 893 O GLY A 513 -6.285 3.905 4.246 1.00 0.00 O ATOM 0 H GLY A 513 -4.492 0.183 4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.171 2.525 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -3.927 2.483 4.745 1.00 0.00 H new ATOM 897 N LEU A 514 -6.102 2.166 2.865 1.00 0.00 N ATOM 898 CA LEU A 514 -6.857 2.900 1.857 1.00 0.00 C ATOM 899 C LEU A 514 -8.284 2.492 1.555 1.00 0.00 C ATOM 900 O LEU A 514 -9.112 3.383 1.352 1.00 0.00 O ATOM 901 CB LEU A 514 -6.062 2.923 0.546 1.00 0.00 C ATOM 902 CG LEU A 514 -5.337 4.242 0.231 1.00 0.00 C ATOM 903 CD1 LEU A 514 -5.004 4.323 -1.250 1.00 0.00 C ATOM 904 CD2 LEU A 514 -6.171 5.445 0.651 1.00 0.00 C ATOM 0 H LEU A 514 -5.798 1.227 2.608 1.00 0.00 H new ATOM 0 HA LEU A 514 -6.978 3.877 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -5.324 2.122 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -6.743 2.699 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 514 -4.409 4.259 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -4.491 5.262 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -4.358 3.489 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -5.924 4.276 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -5.631 6.362 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -7.120 5.435 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -6.359 5.401 1.724 1.00 0.00 H new ATOM 916 N VAL A 515 -8.603 1.217 1.374 1.00 0.00 N ATOM 917 CA VAL A 515 -9.962 0.961 0.925 1.00 0.00 C ATOM 918 C VAL A 515 -10.578 -0.411 1.259 1.00 0.00 C ATOM 919 O VAL A 515 -9.926 -1.326 1.726 1.00 0.00 O ATOM 920 CB VAL A 515 -9.983 1.262 -0.600 1.00 0.00 C ATOM 921 CG1 VAL A 515 -8.812 0.583 -1.293 1.00 0.00 C ATOM 922 CG2 VAL A 515 -11.301 0.910 -1.281 1.00 0.00 C ATOM 0 H VAL A 515 -7.999 0.408 1.516 1.00 0.00 H new ATOM 0 HA VAL A 515 -10.618 1.616 1.498 1.00 0.00 H new ATOM 0 HB VAL A 515 -9.883 2.343 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -8.842 0.804 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -7.877 0.952 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -8.876 -0.495 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -11.237 1.149 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.500 -0.155 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -12.109 1.484 -0.828 1.00 0.00 H new ATOM 932 N ALA A 516 -11.868 -0.503 0.939 1.00 0.00 N ATOM 933 CA ALA A 516 -12.716 -1.681 1.077 1.00 0.00 C ATOM 934 C ALA A 516 -12.268 -2.760 0.096 1.00 0.00 C ATOM 935 O ALA A 516 -12.959 -3.754 -0.127 1.00 0.00 O ATOM 936 CB ALA A 516 -14.178 -1.322 0.863 1.00 0.00 C ATOM 0 H ALA A 516 -12.377 0.292 0.553 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.617 -2.070 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -14.792 -2.216 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.483 -0.581 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.309 -0.911 -0.138 1.00 0.00 H new ATOM 942 N SER A 517 -11.183 -2.450 -0.596 1.00 0.00 N ATOM 943 CA SER A 517 -10.651 -3.206 -1.687 1.00 0.00 C ATOM 944 C SER A 517 -10.297 -4.659 -1.388 1.00 0.00 C ATOM 945 O SER A 517 -9.747 -5.319 -2.264 1.00 0.00 O ATOM 946 CB SER A 517 -9.398 -2.477 -2.186 1.00 0.00 C ATOM 947 OG SER A 517 -9.611 -1.871 -3.448 1.00 0.00 O ATOM 0 H SER A 517 -10.631 -1.618 -0.390 1.00 0.00 H new ATOM 0 HA SER A 517 -11.446 -3.266 -2.430 1.00 0.00 H new ATOM 0 HB2 SER A 517 -9.107 -1.716 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 517 -8.570 -3.183 -2.257 1.00 0.00 H new ATOM 0 HG SER A 517 -8.792 -1.414 -3.734 1.00 0.00 H new ATOM 953 N LYS A 518 -10.647 -5.220 -0.235 1.00 0.00 N ATOM 954 CA LYS A 518 -10.359 -6.640 -0.076 1.00 0.00 C ATOM 955 C LYS A 518 -10.818 -7.266 -1.389 1.00 0.00 C ATOM 956 O LYS A 518 -10.066 -7.968 -2.064 1.00 0.00 O ATOM 957 CB LYS A 518 -11.133 -7.241 1.101 1.00 0.00 C ATOM 958 CG LYS A 518 -10.930 -8.739 1.260 1.00 0.00 C ATOM 959 CD LYS A 518 -12.201 -9.427 1.731 1.00 0.00 C ATOM 960 CE LYS A 518 -13.312 -9.319 0.697 1.00 0.00 C ATOM 961 NZ LYS A 518 -14.332 -8.305 1.080 1.00 0.00 N ATOM 0 H LYS A 518 -11.099 -4.754 0.552 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.305 -6.820 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -10.826 -6.741 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -12.196 -7.039 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -10.614 -9.167 0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -10.128 -8.925 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -11.993 -10.478 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -12.531 -8.980 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -12.883 -9.055 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -13.793 -10.290 0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -15.214 -8.785 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -13.981 -7.746 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -14.515 -7.675 0.273 1.00 0.00 H new ATOM 975 N SER A 519 -12.027 -6.881 -1.792 1.00 0.00 N ATOM 976 CA SER A 519 -12.578 -7.261 -3.084 1.00 0.00 C ATOM 977 C SER A 519 -11.909 -6.444 -4.209 1.00 0.00 C ATOM 978 O SER A 519 -11.319 -6.996 -5.150 1.00 0.00 O ATOM 979 CB SER A 519 -14.092 -7.041 -3.105 1.00 0.00 C ATOM 980 OG SER A 519 -14.409 -5.660 -3.123 1.00 0.00 O ATOM 0 H SER A 519 -12.648 -6.298 -1.231 1.00 0.00 H new ATOM 0 HA SER A 519 -12.377 -8.320 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.521 -7.527 -3.982 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.542 -7.509 -2.229 1.00 0.00 H new ATOM 0 HG SER A 519 -15.382 -5.548 -3.138 1.00 0.00 H new ATOM 986 N GLU A 520 -12.026 -5.104 -4.097 1.00 0.00 N ATOM 987 CA GLU A 520 -11.470 -4.186 -5.090 1.00 0.00 C ATOM 988 C GLU A 520 -9.960 -4.344 -5.222 1.00 0.00 C ATOM 989 O GLU A 520 -9.422 -4.438 -6.323 1.00 0.00 O ATOM 990 CB GLU A 520 -11.851 -2.736 -4.762 1.00 0.00 C ATOM 991 CG GLU A 520 -11.185 -1.699 -5.652 1.00 0.00 C ATOM 992 CD GLU A 520 -12.038 -1.322 -6.847 1.00 0.00 C ATOM 993 OE1 GLU A 520 -12.685 -2.222 -7.423 1.00 0.00 O ATOM 994 OE2 GLU A 520 -12.060 -0.126 -7.208 1.00 0.00 O ATOM 0 H GLU A 520 -12.503 -4.642 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 520 -11.904 -4.442 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -12.933 -2.629 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -11.589 -2.529 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -10.972 -0.805 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -10.228 -2.086 -6.001 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.290 -4.373 -4.091 1.00 0.00 N ATOM 1002 CA GLY A 521 -7.854 -4.521 -4.054 1.00 0.00 C ATOM 1003 C GLY A 521 -7.408 -5.667 -4.901 1.00 0.00 C ATOM 1004 O GLY A 521 -6.601 -5.487 -5.801 1.00 0.00 O ATOM 0 H GLY A 521 -9.726 -4.295 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.382 -3.602 -4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.528 -4.677 -3.026 1.00 0.00 H new ATOM 1008 N GLN A 522 -7.952 -6.848 -4.638 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.613 -8.026 -5.413 1.00 0.00 C ATOM 1010 C GLN A 522 -7.683 -7.698 -6.903 1.00 0.00 C ATOM 1011 O GLN A 522 -6.756 -7.996 -7.655 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.563 -9.179 -5.082 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.192 -9.926 -3.811 1.00 0.00 C ATOM 1014 CD GLN A 522 -8.813 -11.308 -3.746 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -8.107 -12.315 -3.675 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -10.139 -11.364 -3.770 1.00 0.00 N ATOM 0 H GLN A 522 -8.629 -7.012 -3.893 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.599 -8.334 -5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.575 -8.787 -4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -8.574 -9.881 -5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.107 -10.016 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -8.513 -9.346 -2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -10.685 -10.504 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -10.612 -12.267 -3.729 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.774 -7.055 -7.320 1.00 0.00 N ATOM 1026 CA ARG A 523 -8.938 -6.659 -8.717 1.00 0.00 C ATOM 1027 C ARG A 523 -7.701 -5.905 -9.210 1.00 0.00 C ATOM 1028 O ARG A 523 -7.156 -6.222 -10.263 1.00 0.00 O ATOM 1029 CB ARG A 523 -10.199 -5.803 -8.891 1.00 0.00 C ATOM 1030 CG ARG A 523 -10.303 -5.114 -10.244 1.00 0.00 C ATOM 1031 CD ARG A 523 -10.085 -6.089 -11.390 1.00 0.00 C ATOM 1032 NE ARG A 523 -11.238 -6.147 -12.286 1.00 0.00 N ATOM 1033 CZ ARG A 523 -11.229 -6.756 -13.469 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -10.128 -7.358 -13.904 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -12.321 -6.764 -14.220 1.00 0.00 N ATOM 0 H ARG A 523 -9.553 -6.799 -6.713 1.00 0.00 H new ATOM 0 HA ARG A 523 -9.052 -7.561 -9.319 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -11.076 -6.435 -8.749 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -10.222 -5.046 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -11.285 -4.651 -10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -9.566 -4.313 -10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -9.201 -5.793 -11.955 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -9.888 -7.083 -10.988 1.00 0.00 H new ATOM 0 HE ARG A 523 -12.101 -5.694 -11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -9.284 -7.355 -13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -10.126 -7.824 -14.812 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -13.169 -6.303 -13.891 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -12.313 -7.231 -15.127 1.00 0.00 H new ATOM 1049 N ILE A 524 -7.258 -4.917 -8.435 1.00 0.00 N ATOM 1050 CA ILE A 524 -6.075 -4.134 -8.788 1.00 0.00 C ATOM 1051 C ILE A 524 -4.882 -5.056 -8.975 1.00 0.00 C ATOM 1052 O ILE A 524 -4.253 -5.082 -10.031 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.746 -3.087 -7.704 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -6.977 -2.229 -7.398 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.580 -2.214 -8.143 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -7.588 -1.583 -8.623 1.00 0.00 C ATOM 0 H ILE A 524 -7.700 -4.640 -7.559 1.00 0.00 H new ATOM 0 HA ILE A 524 -6.290 -3.608 -9.719 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.457 -3.611 -6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -7.730 -2.850 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -6.699 -1.450 -6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -4.362 -1.481 -7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -3.702 -2.837 -8.311 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -4.840 -1.697 -9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -8.455 -0.992 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -6.851 -0.935 -9.098 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -7.898 -2.356 -9.326 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.612 -5.846 -7.951 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.537 -6.817 -7.989 1.00 0.00 C ATOM 1070 C ILE A 525 -3.696 -7.623 -9.273 1.00 0.00 C ATOM 1071 O ILE A 525 -2.758 -7.806 -10.048 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.562 -7.784 -6.779 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.355 -7.211 -5.602 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.150 -8.105 -6.333 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -3.843 -5.873 -5.115 1.00 0.00 C ATOM 0 H ILE A 525 -5.131 -5.832 -7.073 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.587 -6.285 -7.950 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.061 -8.696 -7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.399 -7.105 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -4.328 -7.922 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.183 -8.785 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.608 -8.576 -7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.642 -7.185 -6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.455 -5.531 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -2.808 -5.976 -4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -3.896 -5.146 -5.925 1.00 0.00 H new ATOM 1087 N ASN A 526 -4.940 -8.051 -9.488 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.335 -8.797 -10.679 1.00 0.00 C ATOM 1089 C ASN A 526 -4.946 -7.994 -11.899 1.00 0.00 C ATOM 1090 O ASN A 526 -4.298 -8.489 -12.823 1.00 0.00 O ATOM 1091 CB ASN A 526 -6.842 -9.013 -10.672 1.00 0.00 C ATOM 1092 CG ASN A 526 -7.250 -10.330 -11.294 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -6.415 -11.194 -11.563 1.00 0.00 O ATOM 1094 ND2 ASN A 526 -8.546 -10.488 -11.526 1.00 0.00 N ATOM 0 H ASN A 526 -5.706 -7.888 -8.835 1.00 0.00 H new ATOM 0 HA ASN A 526 -4.838 -9.767 -10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.205 -8.974 -9.645 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -7.324 -8.197 -11.211 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -8.887 -11.353 -11.944 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -9.201 -9.744 -11.286 1.00 0.00 H new ATOM 1101 N ASN A 527 -5.310 -6.722 -11.844 1.00 0.00 N ATOM 1102 CA ASN A 527 -4.979 -5.766 -12.886 1.00 0.00 C ATOM 1103 C ASN A 527 -3.497 -5.915 -13.198 1.00 0.00 C ATOM 1104 O ASN A 527 -3.073 -5.849 -14.352 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.347 -4.339 -12.456 1.00 0.00 C ATOM 1106 CG ASN A 527 -4.159 -3.401 -12.370 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -3.515 -3.094 -13.373 1.00 0.00 O ATOM 1108 ND2 ASN A 527 -3.869 -2.943 -11.163 1.00 0.00 N ATOM 0 H ASN A 527 -5.845 -6.324 -11.072 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.556 -5.964 -13.789 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -6.070 -3.931 -13.163 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -5.839 -4.378 -11.484 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -3.082 -2.307 -11.034 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -4.432 -3.226 -10.361 1.00 0.00 H new ATOM 1115 N ASN A 528 -2.717 -6.107 -12.136 1.00 0.00 N ATOM 1116 CA ASN A 528 -1.277 -6.256 -12.247 1.00 0.00 C ATOM 1117 C ASN A 528 -0.606 -4.929 -12.551 1.00 0.00 C ATOM 1118 O ASN A 528 0.342 -4.852 -13.332 1.00 0.00 O ATOM 1119 CB ASN A 528 -0.926 -7.276 -13.334 1.00 0.00 C ATOM 1120 CG ASN A 528 0.283 -8.116 -12.971 1.00 0.00 C ATOM 1121 OD1 ASN A 528 0.172 -9.324 -12.756 1.00 0.00 O ATOM 1122 ND2 ASN A 528 1.446 -7.480 -12.899 1.00 0.00 N ATOM 0 H ASN A 528 -3.069 -6.163 -11.180 1.00 0.00 H new ATOM 0 HA ASN A 528 -0.908 -6.614 -11.286 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -1.781 -7.930 -13.504 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -0.733 -6.753 -14.271 1.00 0.00 H new ATOM 0 HD21 ASN A 528 2.294 -7.993 -12.658 1.00 0.00 H new ATOM 0 HD22 ASN A 528 1.492 -6.478 -13.085 1.00 0.00 H new ATOM 1129 N GLY A 529 -1.105 -3.884 -11.897 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.538 -2.556 -12.078 1.00 0.00 C ATOM 1131 C GLY A 529 0.002 -1.968 -10.780 1.00 0.00 C ATOM 1132 O GLY A 529 -0.057 -0.757 -10.573 1.00 0.00 O ATOM 0 H GLY A 529 -1.889 -3.931 -11.247 1.00 0.00 H new ATOM 0 HA2 GLY A 529 0.266 -2.605 -12.812 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.301 -1.892 -12.484 1.00 0.00 H new ATOM 1136 N ALA A 530 0.515 -2.829 -9.899 1.00 0.00 N ATOM 1137 CA ALA A 530 1.047 -2.389 -8.612 1.00 0.00 C ATOM 1138 C ALA A 530 2.417 -3.020 -8.295 1.00 0.00 C ATOM 1139 O ALA A 530 2.816 -4.013 -8.898 1.00 0.00 O ATOM 1140 CB ALA A 530 0.053 -2.721 -7.511 1.00 0.00 C ATOM 0 H ALA A 530 0.572 -3.835 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 530 1.197 -1.311 -8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.451 -2.392 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -0.890 -2.211 -7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -0.115 -3.798 -7.485 1.00 0.00 H new ATOM 1146 N TYR A 531 3.108 -2.442 -7.318 1.00 0.00 N ATOM 1147 CA TYR A 531 4.404 -2.935 -6.848 1.00 0.00 C ATOM 1148 C TYR A 531 4.395 -2.957 -5.317 1.00 0.00 C ATOM 1149 O TYR A 531 3.632 -2.213 -4.696 1.00 0.00 O ATOM 1150 CB TYR A 531 5.558 -2.069 -7.385 1.00 0.00 C ATOM 1151 CG TYR A 531 6.521 -1.559 -6.325 1.00 0.00 C ATOM 1152 CD1 TYR A 531 6.262 -0.375 -5.647 1.00 0.00 C ATOM 1153 CD2 TYR A 531 7.687 -2.253 -6.006 1.00 0.00 C ATOM 1154 CE1 TYR A 531 7.131 0.107 -4.687 1.00 0.00 C ATOM 1155 CE2 TYR A 531 8.559 -1.772 -5.044 1.00 0.00 C ATOM 1156 CZ TYR A 531 8.276 -0.594 -4.391 1.00 0.00 C ATOM 1157 OH TYR A 531 9.143 -0.117 -3.435 1.00 0.00 O ATOM 0 H TYR A 531 2.784 -1.611 -6.824 1.00 0.00 H new ATOM 0 HA TYR A 531 4.565 -3.945 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 531 6.120 -2.650 -8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 531 5.136 -1.214 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 531 5.364 0.180 -5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 531 7.913 -3.178 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 531 6.912 1.030 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 531 9.459 -2.320 -4.807 1.00 0.00 H new ATOM 0 HH TYR A 531 9.902 -0.731 -3.346 1.00 0.00 H new ATOM 1167 N VAL A 532 5.230 -3.796 -4.695 1.00 0.00 N ATOM 1168 CA VAL A 532 5.257 -3.850 -3.235 1.00 0.00 C ATOM 1169 C VAL A 532 6.675 -3.720 -2.687 1.00 0.00 C ATOM 1170 O VAL A 532 7.629 -4.327 -3.194 1.00 0.00 O ATOM 1171 CB VAL A 532 4.577 -5.140 -2.703 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.588 -6.097 -2.082 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.490 -4.790 -1.699 1.00 0.00 C ATOM 0 H VAL A 532 5.877 -4.429 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 532 4.686 -2.994 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 532 4.124 -5.649 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 532 5.073 -6.987 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 532 6.326 -6.383 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 532 6.089 -5.606 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 532 3.023 -5.705 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.929 -4.249 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.738 -4.165 -2.180 1.00 0.00 H new ATOM 1183 N GLY A 533 6.788 -2.908 -1.641 1.00 0.00 N ATOM 1184 CA GLY A 533 8.071 -2.675 -1.017 1.00 0.00 C ATOM 1185 C GLY A 533 8.039 -2.794 0.493 1.00 0.00 C ATOM 1186 O GLY A 533 7.040 -2.476 1.135 1.00 0.00 O ATOM 0 H GLY A 533 6.008 -2.407 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.794 -3.387 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.422 -1.679 -1.288 1.00 0.00 H new ATOM 1190 N SER A 534 9.151 -3.262 1.048 1.00 0.00 N ATOM 1191 CA SER A 534 9.283 -3.427 2.498 1.00 0.00 C ATOM 1192 C SER A 534 10.621 -2.894 3.000 1.00 0.00 C ATOM 1193 O SER A 534 11.659 -3.156 2.396 1.00 0.00 O ATOM 1194 CB SER A 534 9.168 -4.894 2.880 1.00 0.00 C ATOM 1195 OG SER A 534 8.122 -5.529 2.167 1.00 0.00 O ATOM 0 H SER A 534 9.978 -3.536 0.518 1.00 0.00 H new ATOM 0 HA SER A 534 8.477 -2.858 2.961 1.00 0.00 H new ATOM 0 HB2 SER A 534 10.111 -5.401 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 534 8.986 -4.980 3.951 1.00 0.00 H new ATOM 0 HG SER A 534 7.353 -4.924 2.107 1.00 0.00 H new ATOM 1201 N ARG A 535 10.605 -2.174 4.118 1.00 0.00 N ATOM 1202 CA ARG A 535 11.843 -1.656 4.688 1.00 0.00 C ATOM 1203 C ARG A 535 11.686 -1.297 6.163 1.00 0.00 C ATOM 1204 O ARG A 535 11.322 -0.171 6.501 1.00 0.00 O ATOM 1205 CB ARG A 535 12.336 -0.452 3.892 1.00 0.00 C ATOM 1206 CG ARG A 535 11.293 0.626 3.713 1.00 0.00 C ATOM 1207 CD ARG A 535 10.448 0.370 2.476 1.00 0.00 C ATOM 1208 NE ARG A 535 11.188 0.638 1.245 1.00 0.00 N ATOM 1209 CZ ARG A 535 11.447 1.862 0.789 1.00 0.00 C ATOM 1210 NH1 ARG A 535 11.026 2.929 1.458 1.00 0.00 N ATOM 1211 NH2 ARG A 535 12.127 2.021 -0.337 1.00 0.00 N ATOM 0 H ARG A 535 9.761 -1.939 4.640 1.00 0.00 H new ATOM 0 HA ARG A 535 12.588 -2.449 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 535 13.204 -0.026 4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 535 12.670 -0.789 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 535 10.652 0.666 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 535 11.780 1.597 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 535 10.108 -0.666 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 535 9.558 0.998 2.508 1.00 0.00 H new ATOM 0 HE ARG A 535 11.526 -0.158 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 535 10.502 2.813 2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 535 11.227 3.865 1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 535 12.453 1.205 -0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 535 12.325 2.959 -0.685 1.00 0.00 H new ATOM 1401 N ASP A 549 14.924 -7.987 2.591 1.00 0.00 N ATOM 1402 CA ASP A 549 13.875 -7.547 3.491 1.00 0.00 C ATOM 1403 C ASP A 549 13.993 -6.046 3.699 1.00 0.00 C ATOM 1404 O ASP A 549 13.007 -5.361 3.970 1.00 0.00 O ATOM 1405 CB ASP A 549 13.974 -8.277 4.832 1.00 0.00 C ATOM 1406 CG ASP A 549 15.324 -8.090 5.494 1.00 0.00 C ATOM 1407 OD1 ASP A 549 15.606 -6.966 5.961 1.00 0.00 O ATOM 1408 OD2 ASP A 549 16.101 -9.067 5.544 1.00 0.00 O ATOM 0 HA ASP A 549 12.905 -7.779 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 549 13.192 -7.914 5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 549 13.792 -9.341 4.678 1.00 0.00 H new ATOM 1413 N ASP A 550 15.220 -5.539 3.555 1.00 0.00 N ATOM 1414 CA ASP A 550 15.481 -4.121 3.711 1.00 0.00 C ATOM 1415 C ASP A 550 14.640 -3.341 2.716 1.00 0.00 C ATOM 1416 O ASP A 550 13.968 -2.380 3.068 1.00 0.00 O ATOM 1417 CB ASP A 550 16.965 -3.819 3.504 1.00 0.00 C ATOM 1418 CG ASP A 550 17.760 -3.920 4.792 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.835 -5.029 5.358 1.00 0.00 O ATOM 1420 OD2 ASP A 550 18.308 -2.887 5.232 1.00 0.00 O ATOM 0 H ASP A 550 16.044 -6.097 3.330 1.00 0.00 H new ATOM 0 HA ASP A 550 15.214 -3.820 4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 550 17.376 -4.514 2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 550 17.075 -2.817 3.090 1.00 0.00 H new ATOM 1425 N LEU A 551 14.669 -3.791 1.471 1.00 0.00 N ATOM 1426 CA LEU A 551 13.891 -3.177 0.408 1.00 0.00 C ATOM 1427 C LEU A 551 13.149 -4.262 -0.350 1.00 0.00 C ATOM 1428 O LEU A 551 13.681 -5.349 -0.554 1.00 0.00 O ATOM 1429 CB LEU A 551 14.793 -2.397 -0.552 1.00 0.00 C ATOM 1430 CG LEU A 551 14.173 -2.100 -1.924 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.248 -0.895 -1.849 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.258 -1.880 -2.966 1.00 0.00 C ATOM 0 H LEU A 551 15.230 -4.588 1.171 1.00 0.00 H new ATOM 0 HA LEU A 551 13.182 -2.476 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.069 -1.453 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.714 -2.960 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 551 13.581 -2.964 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.820 -0.703 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.447 -1.095 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.813 -0.022 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 551 14.798 -1.671 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.881 -1.036 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 551 15.874 -2.776 -3.044 1.00 0.00 H new ATOM 1444 N THR A 552 11.927 -3.986 -0.769 1.00 0.00 N ATOM 1445 CA THR A 552 11.170 -4.983 -1.504 1.00 0.00 C ATOM 1446 C THR A 552 10.518 -4.411 -2.752 1.00 0.00 C ATOM 1447 O THR A 552 10.083 -3.261 -2.786 1.00 0.00 O ATOM 1448 CB THR A 552 10.120 -5.636 -0.613 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.661 -5.911 0.665 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.584 -6.935 -1.176 1.00 0.00 C ATOM 0 H THR A 552 11.446 -3.100 -0.617 1.00 0.00 H new ATOM 0 HA THR A 552 11.883 -5.742 -1.826 1.00 0.00 H new ATOM 0 HB THR A 552 9.299 -4.922 -0.552 1.00 0.00 H new ATOM 0 HG1 THR A 552 11.217 -6.717 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.841 -7.348 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 552 9.122 -6.748 -2.146 1.00 0.00 H new ATOM 0 HG23 THR A 552 10.402 -7.645 -1.295 1.00 0.00 H new ATOM 1458 N PHE A 553 10.415 -5.260 -3.752 1.00 0.00 N ATOM 1459 CA PHE A 553 9.766 -4.932 -4.996 1.00 0.00 C ATOM 1460 C PHE A 553 8.854 -6.085 -5.346 1.00 0.00 C ATOM 1461 O PHE A 553 9.239 -7.238 -5.207 1.00 0.00 O ATOM 1462 CB PHE A 553 10.792 -4.700 -6.109 1.00 0.00 C ATOM 1463 CG PHE A 553 11.289 -3.283 -6.186 1.00 0.00 C ATOM 1464 CD1 PHE A 553 12.367 -2.871 -5.418 1.00 0.00 C ATOM 1465 CD2 PHE A 553 10.680 -2.366 -7.027 1.00 0.00 C ATOM 1466 CE1 PHE A 553 12.828 -1.570 -5.489 1.00 0.00 C ATOM 1467 CE2 PHE A 553 11.136 -1.064 -7.101 1.00 0.00 C ATOM 1468 CZ PHE A 553 12.212 -0.666 -6.331 1.00 0.00 C ATOM 0 H PHE A 553 10.786 -6.210 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 553 9.197 -4.008 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.641 -5.366 -5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.345 -4.972 -7.065 1.00 0.00 H new ATOM 0 HD1 PHE A 553 12.852 -3.574 -4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 553 9.839 -2.672 -7.632 1.00 0.00 H new ATOM 0 HE1 PHE A 553 13.669 -1.261 -4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 553 10.652 -0.358 -7.760 1.00 0.00 H new ATOM 0 HZ PHE A 553 12.571 0.351 -6.388 1.00 0.00 H new ATOM 1478 N THR A 554 7.657 -5.806 -5.793 1.00 0.00 N ATOM 1479 CA THR A 554 6.753 -6.878 -6.145 1.00 0.00 C ATOM 1480 C THR A 554 6.100 -6.603 -7.485 1.00 0.00 C ATOM 1481 O THR A 554 5.705 -5.476 -7.769 1.00 0.00 O ATOM 1482 CB THR A 554 5.722 -7.072 -5.026 1.00 0.00 C ATOM 1483 OG1 THR A 554 6.242 -7.933 -4.027 1.00 0.00 O ATOM 1484 CG2 THR A 554 4.401 -7.653 -5.478 1.00 0.00 C ATOM 0 H THR A 554 7.287 -4.864 -5.922 1.00 0.00 H new ATOM 0 HA THR A 554 7.311 -7.808 -6.249 1.00 0.00 H new ATOM 0 HB THR A 554 5.530 -6.067 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 554 7.219 -7.964 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.736 -7.754 -4.621 1.00 0.00 H new ATOM 0 HG22 THR A 554 3.945 -6.991 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 554 4.568 -8.633 -5.925 1.00 0.00 H new ATOM 1492 N PRO A 555 5.966 -7.626 -8.332 1.00 0.00 N ATOM 1493 CA PRO A 555 5.344 -7.468 -9.631 1.00 0.00 C ATOM 1494 C PRO A 555 3.822 -7.553 -9.544 1.00 0.00 C ATOM 1495 O PRO A 555 3.147 -7.754 -10.552 1.00 0.00 O ATOM 1496 CB PRO A 555 5.936 -8.622 -10.417 1.00 0.00 C ATOM 1497 CG PRO A 555 6.098 -9.705 -9.409 1.00 0.00 C ATOM 1498 CD PRO A 555 6.408 -9.014 -8.103 1.00 0.00 C ATOM 0 HA PRO A 555 5.530 -6.496 -10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 555 5.278 -8.929 -11.230 1.00 0.00 H new ATOM 0 HB3 PRO A 555 6.891 -8.350 -10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 555 5.190 -10.302 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 555 6.902 -10.384 -9.692 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.875 -9.472 -7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.471 -9.062 -7.866 1.00 0.00 H new ATOM 1506 N ILE A 556 3.298 -7.351 -8.327 1.00 0.00 N ATOM 1507 CA ILE A 556 1.863 -7.333 -8.078 1.00 0.00 C ATOM 1508 C ILE A 556 1.133 -8.642 -8.372 1.00 0.00 C ATOM 1509 O ILE A 556 -0.021 -8.623 -8.799 1.00 0.00 O ATOM 1510 CB ILE A 556 1.158 -6.145 -8.730 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.207 -5.910 -8.090 1.00 0.00 C ATOM 1512 CG2 ILE A 556 1.014 -6.353 -10.202 1.00 0.00 C ATOM 1513 CD1 ILE A 556 -0.169 -5.876 -6.580 1.00 0.00 C ATOM 0 H ILE A 556 3.863 -7.196 -7.492 1.00 0.00 H new ATOM 0 HA ILE A 556 1.800 -7.208 -6.997 1.00 0.00 H new ATOM 0 HB ILE A 556 1.773 -5.259 -8.568 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.613 -4.967 -8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.890 -6.697 -8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.509 -5.494 -10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 556 2.001 -6.465 -10.652 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.427 -7.253 -10.387 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -1.174 -5.705 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.207 -6.827 -6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.488 -5.071 -6.251 1.00 0.00 H new ATOM 1525 N LYS A 557 1.780 -9.773 -8.147 1.00 0.00 N ATOM 1526 CA LYS A 557 1.133 -11.052 -8.407 1.00 0.00 C ATOM 1527 C LYS A 557 0.735 -11.615 -7.059 1.00 0.00 C ATOM 1528 O LYS A 557 1.514 -11.621 -6.115 1.00 0.00 O ATOM 1529 CB LYS A 557 2.078 -12.009 -9.139 1.00 0.00 C ATOM 1530 CG LYS A 557 1.621 -12.357 -10.545 1.00 0.00 C ATOM 1531 CD LYS A 557 2.095 -13.741 -10.959 1.00 0.00 C ATOM 1532 CE LYS A 557 1.035 -14.478 -11.760 1.00 0.00 C ATOM 1533 NZ LYS A 557 1.002 -15.930 -11.435 1.00 0.00 N ATOM 0 H LYS A 557 2.734 -9.835 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 557 0.263 -10.923 -9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.070 -11.560 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.173 -12.927 -8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.533 -12.314 -10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 557 2.003 -11.616 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 557 3.005 -13.652 -11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 557 2.349 -14.320 -10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 557 0.058 -14.039 -11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 557 1.230 -14.349 -12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 0.266 -16.396 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.926 -16.355 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 0.791 -16.055 -10.424 1.00 0.00 H new ATOM 1547 N THR A 558 -0.543 -11.944 -6.945 1.00 0.00 N ATOM 1548 CA THR A 558 -1.105 -12.345 -5.669 1.00 0.00 C ATOM 1549 C THR A 558 -0.437 -13.548 -5.008 1.00 0.00 C ATOM 1550 O THR A 558 -0.491 -14.679 -5.492 1.00 0.00 O ATOM 1551 CB THR A 558 -2.599 -12.627 -5.832 1.00 0.00 C ATOM 1552 OG1 THR A 558 -3.141 -13.163 -4.639 1.00 0.00 O ATOM 1553 CG2 THR A 558 -2.905 -13.597 -6.952 1.00 0.00 C ATOM 0 H THR A 558 -1.207 -11.941 -7.719 1.00 0.00 H new ATOM 0 HA THR A 558 -0.921 -11.504 -5.001 1.00 0.00 H new ATOM 0 HB THR A 558 -3.051 -11.665 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 558 -4.098 -13.335 -4.763 1.00 0.00 H new ATOM 0 HG21 THR A 558 -3.982 -13.753 -7.014 1.00 0.00 H new ATOM 0 HG22 THR A 558 -2.543 -13.189 -7.896 1.00 0.00 H new ATOM 0 HG23 THR A 558 -2.411 -14.548 -6.755 1.00 0.00 H new ATOM 1561 N TRP A 559 0.106 -13.259 -3.831 1.00 0.00 N ATOM 1562 CA TRP A 559 0.720 -14.231 -2.936 1.00 0.00 C ATOM 1563 C TRP A 559 0.263 -13.853 -1.536 1.00 0.00 C ATOM 1564 O TRP A 559 0.321 -12.672 -1.189 1.00 0.00 O ATOM 1565 CB TRP A 559 2.245 -14.211 -3.037 1.00 0.00 C ATOM 1566 CG TRP A 559 2.779 -12.956 -3.644 1.00 0.00 C ATOM 1567 CD1 TRP A 559 2.631 -11.687 -3.164 1.00 0.00 C ATOM 1568 CD2 TRP A 559 3.530 -12.846 -4.855 1.00 0.00 C ATOM 1569 NE1 TRP A 559 3.258 -10.797 -3.995 1.00 0.00 N ATOM 1570 CE2 TRP A 559 3.815 -11.482 -5.041 1.00 0.00 C ATOM 1571 CE3 TRP A 559 3.996 -13.767 -5.799 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 4.540 -11.019 -6.126 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 4.717 -13.300 -6.881 1.00 0.00 C ATOM 1574 CH2 TRP A 559 4.983 -11.937 -7.036 1.00 0.00 C ATOM 0 H TRP A 559 0.131 -12.309 -3.462 1.00 0.00 H new ATOM 0 HA TRP A 559 0.419 -15.245 -3.199 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.670 -14.334 -2.041 1.00 0.00 H new ATOM 0 HB3 TRP A 559 2.574 -15.063 -3.632 1.00 0.00 H new ATOM 0 HD1 TRP A 559 2.098 -11.424 -2.262 1.00 0.00 H new ATOM 0 HE1 TRP A 559 3.303 -9.787 -3.857 1.00 0.00 H new ATOM 0 HE3 TRP A 559 3.796 -14.822 -5.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 4.749 -9.966 -6.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 5.081 -14.000 -7.619 1.00 0.00 H new ATOM 0 HH2 TRP A 559 5.550 -11.602 -7.892 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.236 -14.784 -0.739 1.00 0.00 N ATOM 1586 CA ASN A 560 -0.724 -14.381 0.573 1.00 0.00 C ATOM 1587 C ASN A 560 0.329 -14.447 1.678 1.00 0.00 C ATOM 1588 O ASN A 560 0.827 -13.416 2.117 1.00 0.00 O ATOM 1589 CB ASN A 560 -1.923 -15.247 0.962 1.00 0.00 C ATOM 1590 CG ASN A 560 -3.071 -15.121 -0.021 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -4.037 -14.399 0.224 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -2.970 -15.826 -1.142 1.00 0.00 N ATOM 0 H ASN A 560 -0.313 -15.777 -0.959 1.00 0.00 H new ATOM 0 HA ASN A 560 -1.008 -13.333 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -1.611 -16.290 1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.267 -14.961 1.956 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -3.712 -15.782 -1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -2.151 -16.412 -1.304 1.00 0.00 H new ATOM 1599 N ALA A 561 0.629 -15.651 2.147 1.00 0.00 N ATOM 1600 CA ALA A 561 1.585 -15.852 3.240 1.00 0.00 C ATOM 1601 C ALA A 561 3.066 -15.697 2.885 1.00 0.00 C ATOM 1602 O ALA A 561 3.793 -14.938 3.528 1.00 0.00 O ATOM 1603 CB ALA A 561 1.333 -17.185 3.898 1.00 0.00 C ATOM 0 H ALA A 561 0.222 -16.514 1.787 1.00 0.00 H new ATOM 0 HA ALA A 561 1.396 -15.029 3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 561 2.046 -17.331 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 561 0.319 -17.208 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 561 1.452 -17.982 3.164 1.00 0.00 H new ATOM 1609 N SER A 562 3.529 -16.475 1.923 1.00 0.00 N ATOM 1610 CA SER A 562 4.943 -16.472 1.555 1.00 0.00 C ATOM 1611 C SER A 562 5.507 -15.071 1.339 1.00 0.00 C ATOM 1612 O SER A 562 6.541 -14.711 1.914 1.00 0.00 O ATOM 1613 CB SER A 562 5.157 -17.311 0.294 1.00 0.00 C ATOM 1614 OG SER A 562 6.425 -17.945 0.312 1.00 0.00 O ATOM 0 H SER A 562 2.952 -17.118 1.380 1.00 0.00 H new ATOM 0 HA SER A 562 5.483 -16.905 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 562 4.372 -18.063 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 562 5.077 -16.675 -0.588 1.00 0.00 H new ATOM 0 HG SER A 562 6.537 -18.476 -0.504 1.00 0.00 H new ATOM 1620 N LYS A 563 4.848 -14.290 0.504 1.00 0.00 N ATOM 1621 CA LYS A 563 5.320 -12.945 0.200 1.00 0.00 C ATOM 1622 C LYS A 563 5.153 -11.995 1.375 1.00 0.00 C ATOM 1623 O LYS A 563 6.077 -11.263 1.722 1.00 0.00 O ATOM 1624 CB LYS A 563 4.623 -12.400 -1.042 1.00 0.00 C ATOM 1625 CG LYS A 563 5.443 -12.606 -2.304 1.00 0.00 C ATOM 1626 CD LYS A 563 5.476 -14.068 -2.716 1.00 0.00 C ATOM 1627 CE LYS A 563 6.789 -14.722 -2.318 1.00 0.00 C ATOM 1628 NZ LYS A 563 7.165 -15.825 -3.245 1.00 0.00 N ATOM 0 H LYS A 563 3.989 -14.558 0.025 1.00 0.00 H new ATOM 0 HA LYS A 563 6.389 -13.016 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 563 3.656 -12.889 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 563 4.428 -11.336 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 563 5.023 -12.009 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 563 6.460 -12.250 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 563 4.646 -14.599 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 563 5.339 -14.148 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 563 7.580 -13.972 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 563 6.707 -15.113 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 8.066 -16.244 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 6.423 -16.554 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 7.269 -15.448 -4.209 1.00 0.00 H new ATOM 1642 N THR A 564 3.976 -11.992 1.976 1.00 0.00 N ATOM 1643 CA THR A 564 3.702 -11.108 3.100 1.00 0.00 C ATOM 1644 C THR A 564 4.800 -11.197 4.155 1.00 0.00 C ATOM 1645 O THR A 564 5.570 -10.260 4.343 1.00 0.00 O ATOM 1646 CB THR A 564 2.341 -11.421 3.711 1.00 0.00 C ATOM 1647 OG1 THR A 564 2.088 -10.591 4.830 1.00 0.00 O ATOM 1648 CG2 THR A 564 2.185 -12.844 4.156 1.00 0.00 C ATOM 0 H THR A 564 3.195 -12.590 1.707 1.00 0.00 H new ATOM 0 HA THR A 564 3.684 -10.085 2.724 1.00 0.00 H new ATOM 0 HB THR A 564 1.627 -11.236 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 564 1.123 -10.547 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 564 1.191 -12.986 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 564 2.314 -13.509 3.302 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.937 -13.074 4.911 1.00 0.00 H new ATOM 1656 N GLN A 565 4.877 -12.324 4.838 1.00 0.00 N ATOM 1657 CA GLN A 565 5.884 -12.515 5.863 1.00 0.00 C ATOM 1658 C GLN A 565 7.280 -12.159 5.361 1.00 0.00 C ATOM 1659 O GLN A 565 8.036 -11.484 6.048 1.00 0.00 O ATOM 1660 CB GLN A 565 5.862 -13.944 6.401 1.00 0.00 C ATOM 1661 CG GLN A 565 6.290 -14.038 7.858 1.00 0.00 C ATOM 1662 CD GLN A 565 5.351 -13.301 8.797 1.00 0.00 C ATOM 1663 OE1 GLN A 565 4.528 -13.917 9.474 1.00 0.00 O ATOM 1664 NE2 GLN A 565 5.469 -11.974 8.848 1.00 0.00 N ATOM 0 H GLN A 565 4.254 -13.120 4.701 1.00 0.00 H new ATOM 0 HA GLN A 565 5.638 -11.835 6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.856 -14.350 6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 565 6.521 -14.565 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 565 6.339 -15.087 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 565 7.295 -13.630 7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 565 6.164 -11.501 8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 565 4.864 -11.432 9.465 1.00 0.00 H new ATOM 1673 N GLU A 566 7.634 -12.637 4.177 1.00 0.00 N ATOM 1674 CA GLU A 566 8.963 -12.379 3.628 1.00 0.00 C ATOM 1675 C GLU A 566 9.331 -10.896 3.700 1.00 0.00 C ATOM 1676 O GLU A 566 10.271 -10.514 4.399 1.00 0.00 O ATOM 1677 CB GLU A 566 9.045 -12.860 2.180 1.00 0.00 C ATOM 1678 CG GLU A 566 10.468 -12.997 1.664 1.00 0.00 C ATOM 1679 CD GLU A 566 10.579 -13.981 0.515 1.00 0.00 C ATOM 1680 OE1 GLU A 566 9.740 -13.914 -0.407 1.00 0.00 O ATOM 1681 OE2 GLU A 566 11.505 -14.818 0.539 1.00 0.00 O ATOM 0 H GLU A 566 7.028 -13.201 3.581 1.00 0.00 H new ATOM 0 HA GLU A 566 9.677 -12.934 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.543 -13.824 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 566 8.502 -12.162 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 566 10.828 -12.021 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 566 11.116 -13.320 2.478 1.00 0.00 H new ATOM 1688 N PHE A 567 8.603 -10.075 2.961 1.00 0.00 N ATOM 1689 CA PHE A 567 8.862 -8.638 2.920 1.00 0.00 C ATOM 1690 C PHE A 567 7.955 -7.870 3.862 1.00 0.00 C ATOM 1691 O PHE A 567 8.401 -7.057 4.671 1.00 0.00 O ATOM 1692 CB PHE A 567 8.651 -8.106 1.505 1.00 0.00 C ATOM 1693 CG PHE A 567 8.596 -9.171 0.464 1.00 0.00 C ATOM 1694 CD1 PHE A 567 9.625 -10.084 0.331 1.00 0.00 C ATOM 1695 CD2 PHE A 567 7.503 -9.262 -0.376 1.00 0.00 C ATOM 1696 CE1 PHE A 567 9.562 -11.075 -0.623 1.00 0.00 C ATOM 1697 CE2 PHE A 567 7.435 -10.244 -1.332 1.00 0.00 C ATOM 1698 CZ PHE A 567 8.465 -11.152 -1.455 1.00 0.00 C ATOM 0 H PHE A 567 7.823 -10.377 2.377 1.00 0.00 H new ATOM 0 HA PHE A 567 9.895 -8.492 3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 567 7.723 -7.535 1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 567 9.458 -7.415 1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 567 10.485 -10.020 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 567 6.694 -8.553 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 567 10.367 -11.788 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 567 6.578 -10.305 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 567 8.413 -11.927 -2.206 1.00 0.00 H new ATOM 1708 N ILE A 568 6.675 -8.140 3.722 1.00 0.00 N ATOM 1709 CA ILE A 568 5.627 -7.513 4.511 1.00 0.00 C ATOM 1710 C ILE A 568 5.804 -7.702 5.996 1.00 0.00 C ATOM 1711 O ILE A 568 4.919 -7.352 6.776 1.00 0.00 O ATOM 1712 CB ILE A 568 4.218 -7.920 4.049 1.00 0.00 C ATOM 1713 CG1 ILE A 568 4.170 -7.881 2.530 1.00 0.00 C ATOM 1714 CG2 ILE A 568 3.165 -6.987 4.622 1.00 0.00 C ATOM 1715 CD1 ILE A 568 4.665 -6.574 1.957 1.00 0.00 C ATOM 0 H ILE A 568 6.323 -8.815 3.043 1.00 0.00 H new ATOM 0 HA ILE A 568 5.729 -6.444 4.326 1.00 0.00 H new ATOM 0 HB ILE A 568 4.005 -8.927 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 568 4.773 -8.697 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 568 3.145 -8.051 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 568 2.178 -7.298 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 568 3.199 -7.024 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.361 -5.968 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 568 4.606 -6.608 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 568 4.047 -5.757 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 568 5.700 -6.413 2.259 1.00 0.00 H new ATOM 1727 N ILE A 569 6.951 -8.221 6.407 1.00 0.00 N ATOM 1728 CA ILE A 569 7.188 -8.386 7.822 1.00 0.00 C ATOM 1729 C ILE A 569 6.945 -7.020 8.400 1.00 0.00 C ATOM 1730 O ILE A 569 6.281 -6.861 9.425 1.00 0.00 O ATOM 1731 CB ILE A 569 8.651 -8.780 8.146 1.00 0.00 C ATOM 1732 CG1 ILE A 569 9.625 -8.159 7.121 1.00 0.00 C ATOM 1733 CG2 ILE A 569 8.811 -10.289 8.214 1.00 0.00 C ATOM 1734 CD1 ILE A 569 11.058 -8.618 7.286 1.00 0.00 C ATOM 0 H ILE A 569 7.709 -8.526 5.797 1.00 0.00 H new ATOM 0 HA ILE A 569 6.552 -9.177 8.219 1.00 0.00 H new ATOM 0 HB ILE A 569 8.898 -8.380 9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 569 9.287 -8.408 6.115 1.00 0.00 H new ATOM 0 HG13 ILE A 569 9.588 -7.073 7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 569 9.848 -10.535 8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 569 8.163 -10.689 8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 569 8.537 -10.728 7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 569 11.682 -8.140 6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 569 11.415 -8.345 8.279 1.00 0.00 H new ATOM 0 HD13 ILE A 569 11.109 -9.700 7.167 1.00 0.00 H new ATOM 1746 N ASP A 570 7.398 -6.030 7.640 1.00 0.00 N ATOM 1747 CA ASP A 570 7.152 -4.649 7.955 1.00 0.00 C ATOM 1748 C ASP A 570 7.160 -4.417 9.439 1.00 0.00 C ATOM 1749 O ASP A 570 6.231 -3.816 9.983 1.00 0.00 O ATOM 1750 CB ASP A 570 5.809 -4.247 7.364 1.00 0.00 C ATOM 1751 CG ASP A 570 5.721 -4.583 5.888 1.00 0.00 C ATOM 1752 OD1 ASP A 570 6.761 -4.523 5.201 1.00 0.00 O ATOM 1753 OD2 ASP A 570 4.613 -4.912 5.422 1.00 0.00 O ATOM 0 H ASP A 570 7.945 -6.173 6.791 1.00 0.00 H new ATOM 0 HA ASP A 570 7.947 -4.039 7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.008 -4.756 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 570 5.656 -3.177 7.503 1.00 0.00 H new ATOM 1758 N GLY A 571 8.192 -4.897 10.106 1.00 0.00 N ATOM 1759 CA GLY A 571 8.234 -4.705 11.532 1.00 0.00 C ATOM 1760 C GLY A 571 7.993 -3.253 11.839 1.00 0.00 C ATOM 1761 O GLY A 571 7.174 -2.920 12.695 1.00 0.00 O ATOM 0 H GLY A 571 8.980 -5.402 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 571 7.478 -5.323 12.017 1.00 0.00 H new ATOM 0 HA3 GLY A 571 9.201 -5.017 11.925 1.00 0.00 H new ATOM 1765 N ASP A 572 8.643 -2.377 11.077 1.00 0.00 N ATOM 1766 CA ASP A 572 8.406 -0.962 11.232 1.00 0.00 C ATOM 1767 C ASP A 572 7.844 -0.326 9.954 1.00 0.00 C ATOM 1768 O ASP A 572 7.285 0.769 10.017 1.00 0.00 O ATOM 1769 CB ASP A 572 9.702 -0.253 11.632 1.00 0.00 C ATOM 1770 CG ASP A 572 10.118 -0.571 13.055 1.00 0.00 C ATOM 1771 OD1 ASP A 572 9.706 -1.631 13.571 1.00 0.00 O ATOM 1772 OD2 ASP A 572 10.858 0.239 13.652 1.00 0.00 O ATOM 0 H ASP A 572 9.325 -2.625 10.360 1.00 0.00 H new ATOM 0 HA ASP A 572 7.660 -0.843 12.018 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.499 -0.546 10.949 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.572 0.824 11.526 1.00 0.00 H new ATOM 1777 N LEU A 573 7.979 -0.988 8.782 1.00 0.00 N ATOM 1778 CA LEU A 573 7.450 -0.394 7.559 1.00 0.00 C ATOM 1779 C LEU A 573 6.809 -1.365 6.603 1.00 0.00 C ATOM 1780 O LEU A 573 7.353 -2.416 6.289 1.00 0.00 O ATOM 1781 CB LEU A 573 8.492 0.431 6.818 1.00 0.00 C ATOM 1782 CG LEU A 573 7.877 1.501 5.910 1.00 0.00 C ATOM 1783 CD1 LEU A 573 7.972 2.874 6.556 1.00 0.00 C ATOM 1784 CD2 LEU A 573 8.540 1.506 4.549 1.00 0.00 C ATOM 0 H LEU A 573 8.432 -1.895 8.669 1.00 0.00 H new ATOM 0 HA LEU A 573 6.655 0.258 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.149 0.912 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.113 -0.234 6.217 1.00 0.00 H new ATOM 0 HG LEU A 573 6.823 1.258 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.530 3.619 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.436 2.867 7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.019 3.122 6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.084 2.275 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 573 9.604 1.715 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 573 8.410 0.532 4.077 1.00 0.00 H new ATOM 1796 N LEU A 574 5.693 -0.934 6.069 1.00 0.00 N ATOM 1797 CA LEU A 574 4.994 -1.666 5.045 1.00 0.00 C ATOM 1798 C LEU A 574 4.628 -0.650 3.976 1.00 0.00 C ATOM 1799 O LEU A 574 4.087 0.400 4.303 1.00 0.00 O ATOM 1800 CB LEU A 574 3.718 -2.293 5.622 1.00 0.00 C ATOM 1801 CG LEU A 574 2.705 -2.821 4.599 1.00 0.00 C ATOM 1802 CD1 LEU A 574 3.406 -3.446 3.400 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.769 -3.825 5.261 1.00 0.00 C ATOM 0 H LEU A 574 5.242 -0.059 6.335 1.00 0.00 H new ATOM 0 HA LEU A 574 5.609 -2.471 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 574 4.005 -3.116 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.221 -1.549 6.245 1.00 0.00 H new ATOM 0 HG LEU A 574 2.117 -1.979 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 574 2.661 -3.811 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 574 4.032 -2.698 2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 574 4.027 -4.277 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 574 1.053 -4.194 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 574 2.350 -4.660 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.234 -3.340 6.077 1.00 0.00 H new ATOM 1815 N ILE A 575 4.885 -0.939 2.721 1.00 0.00 N ATOM 1816 CA ILE A 575 4.523 0.004 1.657 1.00 0.00 C ATOM 1817 C ILE A 575 3.857 -0.695 0.498 1.00 0.00 C ATOM 1818 O ILE A 575 4.315 -1.743 0.036 1.00 0.00 O ATOM 1819 CB ILE A 575 5.723 0.802 1.093 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.048 0.231 1.582 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.608 2.272 1.468 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.167 0.355 0.575 1.00 0.00 C ATOM 0 H ILE A 575 5.334 -1.798 2.403 1.00 0.00 H new ATOM 0 HA ILE A 575 3.837 0.701 2.138 1.00 0.00 H new ATOM 0 HB ILE A 575 5.701 0.714 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.338 0.742 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 575 6.911 -0.821 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.460 2.818 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 575 4.686 2.681 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.596 2.371 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.080 -0.072 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 575 7.898 -0.180 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.332 1.407 0.342 1.00 0.00 H new ATOM 1834 N LEU A 576 2.809 -0.081 -0.004 1.00 0.00 N ATOM 1835 CA LEU A 576 2.111 -0.605 -1.146 1.00 0.00 C ATOM 1836 C LEU A 576 1.877 0.515 -2.127 1.00 0.00 C ATOM 1837 O LEU A 576 1.446 1.601 -1.739 1.00 0.00 O ATOM 1838 CB LEU A 576 0.766 -1.207 -0.715 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.496 -0.605 -1.373 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.894 -1.411 -2.605 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.625 -0.585 -0.366 1.00 0.00 C ATOM 0 H LEU A 576 2.423 0.787 0.367 1.00 0.00 H new ATOM 0 HA LEU A 576 2.709 -1.389 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.786 -2.276 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.673 -1.099 0.366 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.281 0.415 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.785 -0.972 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -0.078 -1.398 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -1.104 -2.440 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.517 -0.161 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.836 -1.602 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.337 0.022 0.492 1.00 0.00 H new ATOM 1853 N LYS A 577 2.112 0.263 -3.388 1.00 0.00 N ATOM 1854 CA LYS A 577 1.855 1.287 -4.378 1.00 0.00 C ATOM 1855 C LYS A 577 1.038 0.720 -5.518 1.00 0.00 C ATOM 1856 O LYS A 577 1.336 -0.357 -6.027 1.00 0.00 O ATOM 1857 CB LYS A 577 3.162 1.865 -4.915 1.00 0.00 C ATOM 1858 CG LYS A 577 3.770 2.938 -4.032 1.00 0.00 C ATOM 1859 CD LYS A 577 5.287 2.846 -4.011 1.00 0.00 C ATOM 1860 CE LYS A 577 5.928 4.224 -4.025 1.00 0.00 C ATOM 1861 NZ LYS A 577 7.247 4.218 -4.715 1.00 0.00 N ATOM 0 H LYS A 577 2.472 -0.619 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 577 1.293 2.088 -3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 577 3.883 1.056 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 577 2.983 2.282 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 577 3.469 3.922 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 577 3.384 2.838 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 577 5.608 2.303 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 577 5.630 2.275 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 577 5.262 4.929 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 577 6.056 4.575 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 7.650 5.177 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 7.892 3.565 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 7.122 3.908 -5.700 1.00 0.00 H new ATOM 1875 N LEU A 578 0.033 1.458 -5.948 1.00 0.00 N ATOM 1876 CA LEU A 578 -0.781 1.026 -7.064 1.00 0.00 C ATOM 1877 C LEU A 578 -0.775 2.124 -8.110 1.00 0.00 C ATOM 1878 O LEU A 578 -0.996 3.306 -7.797 1.00 0.00 O ATOM 1879 CB LEU A 578 -2.210 0.725 -6.595 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.312 0.042 -5.221 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -3.082 0.911 -4.231 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -2.965 -1.331 -5.349 1.00 0.00 C ATOM 0 H LEU A 578 -0.237 2.354 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.376 0.110 -7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -2.770 1.660 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -2.694 0.090 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.300 -0.091 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -3.138 0.403 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -2.569 1.865 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -4.089 1.087 -4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -3.028 -1.797 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -3.967 -1.220 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -2.367 -1.958 -6.010 1.00 0.00 H new ATOM 1894 N GLY A 579 -0.532 1.722 -9.350 1.00 0.00 N ATOM 1895 CA GLY A 579 -0.471 2.669 -10.435 1.00 0.00 C ATOM 1896 C GLY A 579 -1.799 2.908 -11.087 1.00 0.00 C ATOM 1897 O GLY A 579 -1.901 3.737 -11.993 1.00 0.00 O ATOM 0 H GLY A 579 -0.376 0.751 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 579 -0.082 3.616 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 579 0.234 2.308 -11.184 1.00 0.00 H new ATOM 1901 N LYS A 580 -2.833 2.211 -10.637 1.00 0.00 N ATOM 1902 CA LYS A 580 -4.128 2.425 -11.228 1.00 0.00 C ATOM 1903 C LYS A 580 -4.656 3.767 -10.773 1.00 0.00 C ATOM 1904 O LYS A 580 -5.068 4.582 -11.597 1.00 0.00 O ATOM 1905 CB LYS A 580 -5.099 1.303 -10.855 1.00 0.00 C ATOM 1906 CG LYS A 580 -5.191 1.037 -9.360 1.00 0.00 C ATOM 1907 CD LYS A 580 -6.459 1.628 -8.768 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.249 2.055 -7.326 1.00 0.00 C ATOM 1909 NZ LYS A 580 -6.184 0.889 -6.402 1.00 0.00 N ATOM 0 H LYS A 580 -2.797 1.517 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 580 -4.032 2.419 -12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -6.091 1.555 -11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -4.790 0.387 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -5.170 -0.038 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -4.321 1.462 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -6.774 2.486 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -7.263 0.894 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -5.326 2.630 -7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -7.062 2.714 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -5.890 1.210 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -7.121 0.443 -6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -5.495 0.198 -6.763 1.00 0.00 H new ATOM 1923 N TRP A 581 -4.596 4.028 -9.468 1.00 0.00 N ATOM 1924 CA TRP A 581 -5.033 5.317 -8.966 1.00 0.00 C ATOM 1925 C TRP A 581 -4.146 5.902 -7.870 1.00 0.00 C ATOM 1926 O TRP A 581 -3.771 7.073 -7.932 1.00 0.00 O ATOM 1927 CB TRP A 581 -6.468 5.227 -8.434 1.00 0.00 C ATOM 1928 CG TRP A 581 -7.491 4.906 -9.482 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -7.489 5.315 -10.783 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -8.676 4.118 -9.310 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -8.590 4.817 -11.434 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -9.336 4.081 -10.552 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -9.242 3.434 -8.228 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -10.530 3.391 -10.743 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -10.428 2.750 -8.419 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -11.060 2.731 -9.668 1.00 0.00 C ATOM 0 H TRP A 581 -4.257 3.378 -8.759 1.00 0.00 H new ATOM 0 HA TRP A 581 -4.969 5.989 -9.822 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -6.509 4.464 -7.656 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -6.730 6.175 -7.964 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -6.732 5.939 -11.235 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -8.816 4.970 -12.417 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -8.761 3.440 -7.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -11.020 3.377 -11.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -10.875 2.221 -7.590 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -11.984 2.185 -9.785 1.00 0.00 H new ATOM 1947 N LYS A 582 -3.897 5.123 -6.815 1.00 0.00 N ATOM 1948 CA LYS A 582 -3.160 5.642 -5.676 1.00 0.00 C ATOM 1949 C LYS A 582 -2.172 4.675 -5.062 1.00 0.00 C ATOM 1950 O LYS A 582 -2.254 3.456 -5.237 1.00 0.00 O ATOM 1951 CB LYS A 582 -4.139 6.117 -4.599 1.00 0.00 C ATOM 1952 CG LYS A 582 -5.334 5.198 -4.403 1.00 0.00 C ATOM 1953 CD LYS A 582 -6.524 5.948 -3.826 1.00 0.00 C ATOM 1954 CE LYS A 582 -7.406 6.522 -4.924 1.00 0.00 C ATOM 1955 NZ LYS A 582 -6.976 7.890 -5.323 1.00 0.00 N ATOM 0 H LYS A 582 -4.191 4.150 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 582 -2.566 6.468 -6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -3.606 6.210 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -4.498 7.112 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -5.612 4.752 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -5.060 4.380 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -7.111 5.275 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -6.171 6.754 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -7.378 5.865 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -8.440 6.552 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -7.777 8.393 -5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -6.653 8.411 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -6.198 7.823 -6.009 1.00 0.00 H new ATOM 1969 N MET A 583 -1.304 5.239 -4.247 1.00 0.00 N ATOM 1970 CA MET A 583 -0.360 4.486 -3.467 1.00 0.00 C ATOM 1971 C MET A 583 -0.743 4.683 -2.010 1.00 0.00 C ATOM 1972 O MET A 583 -0.986 5.806 -1.558 1.00 0.00 O ATOM 1973 CB MET A 583 1.079 4.975 -3.698 1.00 0.00 C ATOM 1974 CG MET A 583 1.873 5.185 -2.406 1.00 0.00 C ATOM 1975 SD MET A 583 3.542 5.803 -2.694 1.00 0.00 S ATOM 1976 CE MET A 583 4.391 5.171 -1.248 1.00 0.00 C ATOM 0 H MET A 583 -1.239 6.248 -4.110 1.00 0.00 H new ATOM 0 HA MET A 583 -0.390 3.435 -3.755 1.00 0.00 H new ATOM 0 HB2 MET A 583 1.603 4.252 -4.323 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.050 5.913 -4.253 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.337 5.887 -1.767 1.00 0.00 H new ATOM 0 HG3 MET A 583 1.930 4.241 -1.864 1.00 0.00 H new ATOM 0 HE1 MET A 583 5.357 5.667 -1.147 1.00 0.00 H new ATOM 0 HE2 MET A 583 3.790 5.364 -0.360 1.00 0.00 H new ATOM 0 HE3 MET A 583 4.544 4.097 -1.356 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.753 3.600 -1.280 1.00 0.00 N ATOM 1987 CA LYS A 584 -1.054 3.643 0.130 1.00 0.00 C ATOM 1988 C LYS A 584 0.142 3.084 0.866 1.00 0.00 C ATOM 1989 O LYS A 584 0.683 2.042 0.501 1.00 0.00 O ATOM 1990 CB LYS A 584 -2.321 2.826 0.419 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.815 2.901 1.859 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.160 1.846 2.712 1.00 0.00 C ATOM 1993 CE LYS A 584 -2.802 0.497 2.470 1.00 0.00 C ATOM 1994 NZ LYS A 584 -1.892 -0.621 2.846 1.00 0.00 N ATOM 0 H LYS A 584 -0.554 2.667 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 584 -1.245 4.664 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -3.117 3.170 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -2.128 1.783 0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -2.602 3.888 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -3.897 2.772 1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -1.095 1.795 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -2.248 2.114 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -3.725 0.425 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -3.074 0.407 1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -1.653 -1.174 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -1.021 -0.235 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.365 -1.236 3.539 1.00 0.00 H new ATOM 2008 N LEU A 585 0.542 3.774 1.899 1.00 0.00 N ATOM 2009 CA LEU A 585 1.669 3.359 2.701 1.00 0.00 C ATOM 2010 C LEU A 585 1.173 3.118 4.102 1.00 0.00 C ATOM 2011 O LEU A 585 0.365 3.885 4.620 1.00 0.00 O ATOM 2012 CB LEU A 585 2.762 4.436 2.666 1.00 0.00 C ATOM 2013 CG LEU A 585 3.745 4.437 3.845 1.00 0.00 C ATOM 2014 CD1 LEU A 585 4.256 3.035 4.127 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.901 5.386 3.567 1.00 0.00 C ATOM 0 H LEU A 585 0.100 4.638 2.211 1.00 0.00 H new ATOM 0 HA LEU A 585 2.109 2.441 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 585 3.332 4.317 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.280 5.413 2.620 1.00 0.00 H new ATOM 0 HG LEU A 585 3.216 4.785 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 585 4.951 3.063 4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 585 3.417 2.384 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 585 4.768 2.650 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.590 5.377 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 585 5.426 5.066 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 585 4.516 6.396 3.424 1.00 0.00 H new ATOM 2027 N VAL A 586 1.613 2.039 4.701 1.00 0.00 N ATOM 2028 CA VAL A 586 1.160 1.701 6.027 1.00 0.00 C ATOM 2029 C VAL A 586 2.304 1.325 6.950 1.00 0.00 C ATOM 2030 O VAL A 586 3.192 0.563 6.581 1.00 0.00 O ATOM 2031 CB VAL A 586 0.143 0.538 5.956 1.00 0.00 C ATOM 2032 CG1 VAL A 586 0.139 -0.286 7.239 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.249 1.072 5.660 1.00 0.00 C ATOM 0 H VAL A 586 2.280 1.383 4.294 1.00 0.00 H new ATOM 0 HA VAL A 586 0.683 2.589 6.442 1.00 0.00 H new ATOM 0 HB VAL A 586 0.449 -0.122 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -0.588 -1.093 7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 586 1.131 -0.707 7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.129 0.353 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.955 0.242 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.550 1.760 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -1.242 1.597 4.705 1.00 0.00 H new ATOM 2043 N SER A 587 2.245 1.825 8.173 1.00 0.00 N ATOM 2044 CA SER A 587 3.248 1.489 9.172 1.00 0.00 C ATOM 2045 C SER A 587 2.585 0.595 10.207 1.00 0.00 C ATOM 2046 O SER A 587 1.461 0.870 10.629 1.00 0.00 O ATOM 2047 CB SER A 587 3.789 2.754 9.839 1.00 0.00 C ATOM 2048 OG SER A 587 4.396 3.613 8.890 1.00 0.00 O ATOM 0 H SER A 587 1.517 2.462 8.498 1.00 0.00 H new ATOM 0 HA SER A 587 4.088 0.977 8.703 1.00 0.00 H new ATOM 0 HB2 SER A 587 2.977 3.279 10.342 1.00 0.00 H new ATOM 0 HB3 SER A 587 4.515 2.482 10.605 1.00 0.00 H new ATOM 0 HG SER A 587 4.732 4.415 9.342 1.00 0.00 H new ATOM 2054 N ILE A 588 3.246 -0.482 10.602 1.00 0.00 N ATOM 2055 CA ILE A 588 2.649 -1.387 11.566 1.00 0.00 C ATOM 2056 C ILE A 588 3.595 -1.811 12.667 1.00 0.00 C ATOM 2057 O ILE A 588 4.812 -1.868 12.494 1.00 0.00 O ATOM 2058 CB ILE A 588 2.071 -2.636 10.879 1.00 0.00 C ATOM 2059 CG1 ILE A 588 3.182 -3.424 10.182 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.979 -2.242 9.891 1.00 0.00 C ATOM 2061 CD1 ILE A 588 3.709 -2.753 8.932 1.00 0.00 C ATOM 0 H ILE A 588 4.176 -0.746 10.277 1.00 0.00 H new ATOM 0 HA ILE A 588 1.845 -0.817 12.032 1.00 0.00 H new ATOM 0 HB ILE A 588 1.625 -3.278 11.639 1.00 0.00 H new ATOM 0 HG12 ILE A 588 4.006 -3.570 10.881 1.00 0.00 H new ATOM 0 HG13 ILE A 588 2.806 -4.413 9.922 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.580 -3.137 9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 588 0.178 -1.726 10.421 1.00 0.00 H new ATOM 0 HG23 ILE A 588 1.397 -1.581 9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 588 4.494 -3.369 8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 588 2.897 -2.632 8.214 1.00 0.00 H new ATOM 0 HD13 ILE A 588 4.116 -1.775 9.188 1.00 0.00 H new ATOM 2073 N VAL A 589 2.994 -2.127 13.801 1.00 0.00 N ATOM 2074 CA VAL A 589 3.732 -2.580 14.972 1.00 0.00 C ATOM 2075 C VAL A 589 3.242 -3.950 15.423 1.00 0.00 C ATOM 2076 O VAL A 589 2.041 -4.223 15.423 1.00 0.00 O ATOM 2077 CB VAL A 589 3.613 -1.589 16.146 1.00 0.00 C ATOM 2078 CG1 VAL A 589 4.668 -1.883 17.202 1.00 0.00 C ATOM 2079 CG2 VAL A 589 3.729 -0.154 15.653 1.00 0.00 C ATOM 0 H VAL A 589 1.984 -2.078 13.938 1.00 0.00 H new ATOM 0 HA VAL A 589 4.780 -2.643 14.678 1.00 0.00 H new ATOM 0 HB VAL A 589 2.630 -1.713 16.601 1.00 0.00 H new ATOM 0 HG11 VAL A 589 4.569 -1.173 18.023 1.00 0.00 H new ATOM 0 HG12 VAL A 589 4.532 -2.896 17.580 1.00 0.00 H new ATOM 0 HG13 VAL A 589 5.660 -1.790 16.761 1.00 0.00 H new ATOM 0 HG21 VAL A 589 3.642 0.529 16.498 1.00 0.00 H new ATOM 0 HG22 VAL A 589 4.696 -0.012 15.170 1.00 0.00 H new ATOM 0 HG23 VAL A 589 2.932 0.051 14.938 1.00 0.00 H new ATOM 2089 N SER A 590 4.180 -4.810 15.800 1.00 0.00 N ATOM 2090 CA SER A 590 3.848 -6.156 16.247 1.00 0.00 C ATOM 2091 C SER A 590 3.099 -6.126 17.574 1.00 0.00 C ATOM 2092 O SER A 590 3.377 -5.294 18.439 1.00 0.00 O ATOM 2093 CB SER A 590 5.120 -6.996 16.387 1.00 0.00 C ATOM 2094 OG SER A 590 6.238 -6.183 16.697 1.00 0.00 O ATOM 0 H SER A 590 5.178 -4.598 15.805 1.00 0.00 H new ATOM 0 HA SER A 590 3.199 -6.608 15.497 1.00 0.00 H new ATOM 0 HB2 SER A 590 4.982 -7.743 17.169 1.00 0.00 H new ATOM 0 HB3 SER A 590 5.306 -7.537 15.459 1.00 0.00 H new ATOM 0 HG SER A 590 6.678 -5.901 15.868 1.00 0.00 H new