USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 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+ -139:sc=-0.00586 (180deg=0) USER MOD Set 1.2: A 522 GLN : amide:sc= -0.122 K(o=-0.81,f=-2.7!) USER MOD Set 1.3: A 560 ASN : amide:sc= -0.68 K(o=-0.81,f=-2.1) USER MOD Single : A 494 THR OG1 : rot 180:sc= 0 USER MOD Single : A 497 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.35) 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 108:sc= -3.61! USER MOD Single : A 506 SER OG : rot 180:sc= 0.378 USER MOD Single : A 507 LYS NZ :NH3+ -110:sc= -7.72! (180deg=-10.9!) USER MOD Single : A 511 SER OG : rot 104:sc= 1.85 USER MOD Single : A 517 SER OG : rot 180:sc= -8.35! USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 SER OG : rot 180:sc= -0.47 USER MOD Single : A 526 ASN :FLIP amide:sc= -0.0728 F(o=-0.97,f=-0.073) USER MOD Single : A 527 ASN :FLIP amide:sc= -2.39 F(o=-4.4!,f=-2.4) USER MOD Single : A 528 ASN :FLIP amide:sc= 0.748 F(o=-0.61,f=0.75) USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 SER OG : rot -129:sc= -1.86 USER MOD Single : A 552 THR OG1 : rot -100:sc= -2.88! USER MOD Single : A 554 THR OG1 : rot -113:sc= 0.158! USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0.00311 USER MOD Single : A 562 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 563 LYS NZ :NH3+ -145:sc= 0.14 (180deg=0) USER MOD Single : A 564 THR OG1 : rot -137:sc= -1.53 USER MOD Single : A 565 GLN :FLIP amide:sc= -2.1 F(o=-4.7!,f=-2.1) USER MOD Single : A 577 LYS NZ :NH3+ -158:sc= 0.0658 (180deg=0.0365) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= -2.5! (180deg=-2.5!) USER MOD Single : A 582 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 584 LYS NZ :NH3+ -179:sc= -1.86 (180deg=-1.88) USER MOD Single : A 587 SER OG : rot 180:sc= 0 USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -1.880 8.278 0.994 1.00 0.00 N ATOM 524 CA ALA A 491 -2.611 7.726 2.131 1.00 0.00 C ATOM 525 C ALA A 491 -1.701 6.900 3.037 1.00 0.00 C ATOM 526 O ALA A 491 -0.931 6.070 2.556 1.00 0.00 O ATOM 527 CB ALA A 491 -3.780 6.884 1.643 1.00 0.00 C ATOM 0 HA ALA A 491 -2.993 8.560 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -4.318 6.477 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -4.454 7.505 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -3.407 6.066 1.027 1.00 0.00 H new ATOM 533 N ARG A 492 -1.822 7.090 4.349 1.00 0.00 N ATOM 534 CA ARG A 492 -1.038 6.312 5.299 1.00 0.00 C ATOM 535 C ARG A 492 -1.907 5.843 6.464 1.00 0.00 C ATOM 536 O ARG A 492 -2.619 6.641 7.076 1.00 0.00 O ATOM 537 CB ARG A 492 0.119 7.162 5.833 1.00 0.00 C ATOM 538 CG ARG A 492 1.486 6.689 5.376 1.00 0.00 C ATOM 539 CD ARG A 492 1.974 5.515 6.209 1.00 0.00 C ATOM 540 NE ARG A 492 2.979 5.914 7.193 1.00 0.00 N ATOM 541 CZ ARG A 492 4.140 6.493 6.885 1.00 0.00 C ATOM 542 NH1 ARG A 492 4.456 6.742 5.619 1.00 0.00 N ATOM 543 NH2 ARG A 492 4.990 6.820 7.847 1.00 0.00 N ATOM 0 H ARG A 492 -2.451 7.771 4.774 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.644 5.436 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.023 8.195 5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.088 7.158 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.440 6.398 4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 492 2.200 7.510 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.127 5.059 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 492 2.395 4.755 5.551 1.00 0.00 H new ATOM 0 HE ARG A 492 2.779 5.738 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 492 3.808 6.490 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 492 5.346 7.185 5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 492 4.756 6.629 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 492 5.879 7.263 7.614 1.00 0.00 H new ATOM 557 N VAL A 493 -1.812 4.566 6.798 1.00 0.00 N ATOM 558 CA VAL A 493 -2.555 4.016 7.929 1.00 0.00 C ATOM 559 C VAL A 493 -1.692 3.056 8.754 1.00 0.00 C ATOM 560 O VAL A 493 -0.680 2.543 8.264 1.00 0.00 O ATOM 561 CB VAL A 493 -3.846 3.313 7.468 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.452 2.455 8.573 1.00 0.00 C ATOM 563 CG2 VAL A 493 -4.853 4.349 6.990 1.00 0.00 C ATOM 0 H VAL A 493 -1.230 3.889 6.305 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.833 4.856 8.565 1.00 0.00 H new ATOM 0 HB VAL A 493 -3.589 2.647 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.360 1.977 8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -3.736 1.690 8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.693 3.083 9.430 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -5.765 3.847 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -5.086 5.033 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -4.430 4.910 6.156 1.00 0.00 H new ATOM 573 N THR A 494 -2.119 2.760 9.982 1.00 0.00 N ATOM 574 CA THR A 494 -1.395 1.800 10.802 1.00 0.00 C ATOM 575 C THR A 494 -2.345 0.715 11.315 1.00 0.00 C ATOM 576 O THR A 494 -3.440 1.005 11.796 1.00 0.00 O ATOM 577 CB THR A 494 -0.710 2.502 11.975 1.00 0.00 C ATOM 578 OG1 THR A 494 -1.645 3.258 12.723 1.00 0.00 O ATOM 579 CG2 THR A 494 0.400 3.438 11.548 1.00 0.00 C ATOM 0 H THR A 494 -2.946 3.164 10.421 1.00 0.00 H new ATOM 0 HA THR A 494 -0.628 1.331 10.185 1.00 0.00 H new ATOM 0 HB THR A 494 -0.278 1.702 12.576 1.00 0.00 H new ATOM 0 HG1 THR A 494 -1.187 3.698 13.470 1.00 0.00 H new ATOM 0 HG21 THR A 494 0.843 3.903 12.429 1.00 0.00 H new ATOM 0 HG22 THR A 494 1.164 2.875 11.011 1.00 0.00 H new ATOM 0 HG23 THR A 494 -0.007 4.211 10.896 1.00 0.00 H new ATOM 587 N LEU A 495 -1.905 -0.535 11.201 1.00 0.00 N ATOM 588 CA LEU A 495 -2.683 -1.692 11.640 1.00 0.00 C ATOM 589 C LEU A 495 -1.797 -2.677 12.400 1.00 0.00 C ATOM 590 O LEU A 495 -0.574 -2.603 12.318 1.00 0.00 O ATOM 591 CB LEU A 495 -3.345 -2.378 10.439 1.00 0.00 C ATOM 592 CG LEU A 495 -2.461 -3.372 9.677 1.00 0.00 C ATOM 593 CD1 LEU A 495 -2.990 -4.789 9.827 1.00 0.00 C ATOM 594 CD2 LEU A 495 -2.368 -2.991 8.210 1.00 0.00 C ATOM 0 H LEU A 495 -0.998 -0.776 10.801 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.466 -1.346 12.314 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.235 -2.903 10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.680 -1.609 9.743 1.00 0.00 H new ATOM 0 HG LEU A 495 -1.460 -3.334 10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -2.347 -5.477 9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -2.999 -5.064 10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -4.003 -4.843 9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.736 -3.709 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -3.365 -2.996 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -1.936 -1.994 8.120 1.00 0.00 H new ATOM 606 N PRO A 496 -2.386 -3.629 13.140 1.00 0.00 N ATOM 607 CA PRO A 496 -1.604 -4.628 13.872 1.00 0.00 C ATOM 608 C PRO A 496 -0.767 -5.487 12.915 1.00 0.00 C ATOM 609 O PRO A 496 -1.307 -6.158 12.036 1.00 0.00 O ATOM 610 CB PRO A 496 -2.666 -5.486 14.574 1.00 0.00 C ATOM 611 CG PRO A 496 -3.917 -4.672 14.541 1.00 0.00 C ATOM 612 CD PRO A 496 -3.833 -3.828 13.301 1.00 0.00 C ATOM 0 HA PRO A 496 -0.896 -4.174 14.565 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -2.803 -6.438 14.062 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -2.372 -5.714 15.599 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -4.798 -5.313 14.517 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -4.000 -4.049 15.432 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.270 -4.331 12.439 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -4.361 -2.882 13.419 1.00 0.00 H new ATOM 620 N LYS A 497 0.552 -5.441 13.084 1.00 0.00 N ATOM 621 CA LYS A 497 1.481 -6.190 12.232 1.00 0.00 C ATOM 622 C LYS A 497 1.138 -7.676 12.134 1.00 0.00 C ATOM 623 O LYS A 497 1.449 -8.326 11.136 1.00 0.00 O ATOM 624 CB LYS A 497 2.905 -6.043 12.776 1.00 0.00 C ATOM 625 CG LYS A 497 3.982 -6.407 11.766 1.00 0.00 C ATOM 626 CD LYS A 497 5.160 -7.097 12.435 1.00 0.00 C ATOM 627 CE LYS A 497 5.918 -6.146 13.348 1.00 0.00 C ATOM 628 NZ LYS A 497 6.936 -6.859 14.168 1.00 0.00 N ATOM 0 H LYS A 497 1.008 -4.888 13.810 1.00 0.00 H new ATOM 0 HA LYS A 497 1.398 -5.770 11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 497 3.056 -5.014 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 497 3.016 -6.675 13.657 1.00 0.00 H new ATOM 0 HG2 LYS A 497 3.561 -7.061 11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 497 4.327 -5.506 11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 497 4.803 -7.950 13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 497 5.835 -7.487 11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 497 6.407 -5.379 12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 497 5.214 -5.636 14.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 7.200 -6.270 14.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 6.541 -7.760 14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 7.779 -7.046 13.589 1.00 0.00 H new ATOM 642 N SER A 498 0.549 -8.216 13.186 1.00 0.00 N ATOM 643 CA SER A 498 0.221 -9.643 13.232 1.00 0.00 C ATOM 644 C SER A 498 -0.702 -10.099 12.095 1.00 0.00 C ATOM 645 O SER A 498 -0.443 -11.118 11.456 1.00 0.00 O ATOM 646 CB SER A 498 -0.423 -9.981 14.578 1.00 0.00 C ATOM 647 OG SER A 498 0.048 -11.222 15.071 1.00 0.00 O ATOM 0 H SER A 498 0.285 -7.695 14.022 1.00 0.00 H new ATOM 0 HA SER A 498 1.161 -10.180 13.106 1.00 0.00 H new ATOM 0 HB2 SER A 498 -0.203 -9.193 15.298 1.00 0.00 H new ATOM 0 HB3 SER A 498 -1.507 -10.018 14.467 1.00 0.00 H new ATOM 0 HG SER A 498 -0.377 -11.414 15.933 1.00 0.00 H new ATOM 653 N LEU A 499 -1.784 -9.366 11.861 1.00 0.00 N ATOM 654 CA LEU A 499 -2.745 -9.731 10.817 1.00 0.00 C ATOM 655 C LEU A 499 -2.217 -9.460 9.405 1.00 0.00 C ATOM 656 O LEU A 499 -2.849 -9.841 8.419 1.00 0.00 O ATOM 657 CB LEU A 499 -4.062 -8.990 11.035 1.00 0.00 C ATOM 658 CG LEU A 499 -4.015 -7.495 10.731 1.00 0.00 C ATOM 659 CD1 LEU A 499 -4.597 -7.221 9.353 1.00 0.00 C ATOM 660 CD2 LEU A 499 -4.765 -6.709 11.796 1.00 0.00 C ATOM 0 H LEU A 499 -2.021 -8.518 12.376 1.00 0.00 H new ATOM 0 HA LEU A 499 -2.908 -10.806 10.895 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -4.828 -9.449 10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -4.372 -9.126 12.071 1.00 0.00 H new ATOM 0 HG LEU A 499 -2.974 -7.171 10.739 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -4.558 -6.151 9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.018 -7.756 8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -5.633 -7.559 9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -4.720 -5.645 11.562 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -5.806 -7.032 11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -4.307 -6.886 12.769 1.00 0.00 H new ATOM 672 N VAL A 500 -1.073 -8.796 9.309 1.00 0.00 N ATOM 673 CA VAL A 500 -0.481 -8.471 8.016 1.00 0.00 C ATOM 674 C VAL A 500 0.147 -9.702 7.362 1.00 0.00 C ATOM 675 O VAL A 500 0.303 -9.772 6.144 1.00 0.00 O ATOM 676 CB VAL A 500 0.597 -7.383 8.162 1.00 0.00 C ATOM 677 CG1 VAL A 500 1.107 -6.954 6.799 1.00 0.00 C ATOM 678 CG2 VAL A 500 0.061 -6.192 8.940 1.00 0.00 C ATOM 0 H VAL A 500 -0.535 -8.471 10.112 1.00 0.00 H new ATOM 0 HA VAL A 500 -1.288 -8.104 7.383 1.00 0.00 H new ATOM 0 HB VAL A 500 1.433 -7.801 8.723 1.00 0.00 H new ATOM 0 HG11 VAL A 500 1.869 -6.184 6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 500 1.539 -7.813 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 500 0.281 -6.556 6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 500 0.841 -5.436 9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -0.795 -5.769 8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.248 -6.516 9.934 1.00 0.00 H new ATOM 688 N TYR A 501 0.527 -10.648 8.202 1.00 0.00 N ATOM 689 CA TYR A 501 1.172 -11.883 7.781 1.00 0.00 C ATOM 690 C TYR A 501 0.402 -12.661 6.706 1.00 0.00 C ATOM 691 O TYR A 501 0.999 -13.447 5.974 1.00 0.00 O ATOM 692 CB TYR A 501 1.403 -12.784 8.995 1.00 0.00 C ATOM 693 CG TYR A 501 2.686 -12.485 9.743 1.00 0.00 C ATOM 694 CD1 TYR A 501 3.217 -11.201 9.766 1.00 0.00 C ATOM 695 CD2 TYR A 501 3.363 -13.487 10.426 1.00 0.00 C ATOM 696 CE1 TYR A 501 4.387 -10.925 10.448 1.00 0.00 C ATOM 697 CE2 TYR A 501 4.533 -13.219 11.110 1.00 0.00 C ATOM 698 CZ TYR A 501 5.041 -11.938 11.118 1.00 0.00 C ATOM 699 OH TYR A 501 6.206 -11.667 11.798 1.00 0.00 O ATOM 0 H TYR A 501 0.395 -10.581 9.211 1.00 0.00 H new ATOM 0 HA TYR A 501 2.117 -11.588 7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 501 0.561 -12.678 9.679 1.00 0.00 H new ATOM 0 HB3 TYR A 501 1.419 -13.823 8.667 1.00 0.00 H new ATOM 0 HD1 TYR A 501 2.707 -10.406 9.242 1.00 0.00 H new ATOM 0 HD2 TYR A 501 2.968 -14.492 10.422 1.00 0.00 H new ATOM 0 HE1 TYR A 501 4.787 -9.922 10.456 1.00 0.00 H new ATOM 0 HE2 TYR A 501 5.047 -14.010 11.636 1.00 0.00 H new ATOM 0 HH TYR A 501 6.539 -12.488 12.216 1.00 0.00 H new ATOM 709 N ASP A 502 -0.920 -12.541 6.681 1.00 0.00 N ATOM 710 CA ASP A 502 -1.730 -13.335 5.745 1.00 0.00 C ATOM 711 C ASP A 502 -1.728 -12.873 4.269 1.00 0.00 C ATOM 712 O ASP A 502 -1.528 -13.702 3.385 1.00 0.00 O ATOM 713 CB ASP A 502 -3.174 -13.387 6.246 1.00 0.00 C ATOM 714 CG ASP A 502 -3.872 -14.677 5.865 1.00 0.00 C ATOM 715 OD1 ASP A 502 -3.749 -15.664 6.621 1.00 0.00 O ATOM 716 OD2 ASP A 502 -4.542 -14.701 4.811 1.00 0.00 O ATOM 0 H ASP A 502 -1.453 -11.915 7.284 1.00 0.00 H new ATOM 0 HA ASP A 502 -1.253 -14.315 5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.183 -13.279 7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -3.728 -12.543 5.836 1.00 0.00 H new ATOM 721 N LYS A 503 -1.975 -11.587 3.977 1.00 0.00 N ATOM 722 CA LYS A 503 -2.012 -11.127 2.593 1.00 0.00 C ATOM 723 C LYS A 503 -0.979 -10.045 2.306 1.00 0.00 C ATOM 724 O LYS A 503 -0.794 -9.116 3.089 1.00 0.00 O ATOM 725 CB LYS A 503 -3.414 -10.637 2.230 1.00 0.00 C ATOM 726 CG LYS A 503 -4.139 -11.541 1.247 1.00 0.00 C ATOM 727 CD LYS A 503 -5.619 -11.654 1.581 1.00 0.00 C ATOM 728 CE LYS A 503 -6.479 -11.602 0.328 1.00 0.00 C ATOM 729 NZ LYS A 503 -6.933 -12.956 -0.091 1.00 0.00 N ATOM 0 H LYS A 503 -2.149 -10.862 4.673 1.00 0.00 H new ATOM 0 HA LYS A 503 -1.757 -11.983 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -4.008 -10.554 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.341 -9.636 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -4.022 -11.150 0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -3.685 -12.532 1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -5.803 -12.588 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -5.904 -10.845 2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -7.347 -10.968 0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -5.913 -11.142 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -6.873 -13.038 -1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -6.326 -13.677 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -7.918 -13.101 0.211 1.00 0.00 H new ATOM 743 N THR A 504 -0.313 -10.171 1.179 1.00 0.00 N ATOM 744 CA THR A 504 0.694 -9.189 0.782 1.00 0.00 C ATOM 745 C THR A 504 0.081 -7.861 0.309 1.00 0.00 C ATOM 746 O THR A 504 0.089 -6.867 1.034 1.00 0.00 O ATOM 747 CB THR A 504 1.537 -9.775 -0.352 1.00 0.00 C ATOM 748 OG1 THR A 504 2.337 -10.839 0.121 1.00 0.00 O ATOM 749 CG2 THR A 504 2.452 -8.767 -1.022 1.00 0.00 C ATOM 0 H THR A 504 -0.444 -10.937 0.518 1.00 0.00 H new ATOM 0 HA THR A 504 1.301 -8.973 1.661 1.00 0.00 H new ATOM 0 HB THR A 504 0.815 -10.119 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.982 -11.689 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.016 -9.258 -1.815 1.00 0.00 H new ATOM 0 HG22 THR A 504 1.855 -7.960 -1.448 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.143 -8.357 -0.285 1.00 0.00 H new ATOM 757 N PHE A 505 -0.432 -7.858 -0.924 1.00 0.00 N ATOM 758 CA PHE A 505 -1.036 -6.666 -1.526 1.00 0.00 C ATOM 759 C PHE A 505 -2.433 -6.334 -0.998 1.00 0.00 C ATOM 760 O PHE A 505 -2.686 -5.235 -0.503 1.00 0.00 O ATOM 761 CB PHE A 505 -1.051 -6.776 -3.058 1.00 0.00 C ATOM 762 CG PHE A 505 -0.342 -5.635 -3.727 1.00 0.00 C ATOM 763 CD1 PHE A 505 1.034 -5.654 -3.882 1.00 0.00 C ATOM 764 CD2 PHE A 505 -1.050 -4.538 -4.188 1.00 0.00 C ATOM 765 CE1 PHE A 505 1.691 -4.598 -4.487 1.00 0.00 C ATOM 766 CE2 PHE A 505 -0.399 -3.483 -4.794 1.00 0.00 C ATOM 767 CZ PHE A 505 0.972 -3.512 -4.943 1.00 0.00 C ATOM 0 H PHE A 505 -0.441 -8.678 -1.531 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.400 -5.834 -1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -0.583 -7.714 -3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -2.083 -6.811 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 505 1.600 -6.502 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 505 -2.123 -4.508 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 505 2.765 -4.623 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 505 -0.963 -2.634 -5.152 1.00 0.00 H new ATOM 0 HZ PHE A 505 1.482 -2.686 -5.416 1.00 0.00 H new ATOM 777 N SER A 506 -3.348 -7.279 -1.192 1.00 0.00 N ATOM 778 CA SER A 506 -4.753 -7.115 -0.839 1.00 0.00 C ATOM 779 C SER A 506 -4.999 -6.581 0.569 1.00 0.00 C ATOM 780 O SER A 506 -5.447 -5.450 0.743 1.00 0.00 O ATOM 781 CB SER A 506 -5.464 -8.460 -0.985 1.00 0.00 C ATOM 782 OG SER A 506 -6.869 -8.293 -1.058 1.00 0.00 O ATOM 0 H SER A 506 -3.133 -8.188 -1.602 1.00 0.00 H new ATOM 0 HA SER A 506 -5.147 -6.364 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 506 -5.108 -8.966 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 506 -5.215 -9.100 -0.138 1.00 0.00 H new ATOM 0 HG SER A 506 -7.298 -9.169 -1.152 1.00 0.00 H new ATOM 788 N LYS A 507 -4.759 -7.411 1.569 1.00 0.00 N ATOM 789 CA LYS A 507 -5.034 -7.025 2.946 1.00 0.00 C ATOM 790 C LYS A 507 -4.463 -5.659 3.291 1.00 0.00 C ATOM 791 O LYS A 507 -5.168 -4.821 3.854 1.00 0.00 O ATOM 792 CB LYS A 507 -4.528 -8.076 3.920 1.00 0.00 C ATOM 793 CG LYS A 507 -3.025 -8.280 3.887 1.00 0.00 C ATOM 794 CD LYS A 507 -2.260 -7.339 4.814 1.00 0.00 C ATOM 795 CE LYS A 507 -3.044 -6.975 6.070 1.00 0.00 C ATOM 796 NZ LYS A 507 -2.298 -6.026 6.940 1.00 0.00 N ATOM 0 H LYS A 507 -4.377 -8.350 1.457 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.118 -6.955 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -4.823 -7.792 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -5.017 -9.025 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -2.800 -9.310 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -2.670 -8.139 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -1.319 -7.807 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -2.009 -6.427 4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -3.998 -6.532 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -3.269 -7.881 6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -1.995 -6.515 7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -1.463 -5.672 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -2.915 -5.227 7.191 1.00 0.00 H new ATOM 810 N VAL A 508 -3.210 -5.423 2.967 1.00 0.00 N ATOM 811 CA VAL A 508 -2.593 -4.141 3.273 1.00 0.00 C ATOM 812 C VAL A 508 -3.418 -2.967 2.749 1.00 0.00 C ATOM 813 O VAL A 508 -3.800 -2.081 3.512 1.00 0.00 O ATOM 814 CB VAL A 508 -1.178 -4.034 2.687 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.543 -2.705 3.066 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.316 -5.197 3.151 1.00 0.00 C ATOM 0 H VAL A 508 -2.600 -6.091 2.496 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.544 -4.091 4.361 1.00 0.00 H new ATOM 0 HB VAL A 508 -1.251 -4.079 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.459 -2.647 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -1.150 -1.888 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.483 -2.627 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.683 -5.102 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -0.248 -5.188 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.763 -6.135 2.823 1.00 0.00 H new ATOM 826 N LEU A 509 -3.661 -2.944 1.450 1.00 0.00 N ATOM 827 CA LEU A 509 -4.392 -1.843 0.829 1.00 0.00 C ATOM 828 C LEU A 509 -5.821 -1.619 1.360 1.00 0.00 C ATOM 829 O LEU A 509 -6.108 -0.561 1.920 1.00 0.00 O ATOM 830 CB LEU A 509 -4.407 -2.011 -0.698 1.00 0.00 C ATOM 831 CG LEU A 509 -5.301 -3.124 -1.240 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.647 -2.563 -1.660 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.623 -3.837 -2.401 1.00 0.00 C ATOM 0 H LEU A 509 -3.365 -3.673 0.801 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.845 -0.943 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.723 -1.068 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.387 -2.196 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.468 -3.853 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -7.273 -3.368 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -7.134 -2.104 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -6.502 -1.814 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.275 -4.627 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.424 -3.123 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.683 -4.273 -2.062 1.00 0.00 H new ATOM 845 N TRP A 510 -6.730 -2.567 1.135 1.00 0.00 N ATOM 846 CA TRP A 510 -8.132 -2.397 1.545 1.00 0.00 C ATOM 847 C TRP A 510 -8.367 -2.507 3.041 1.00 0.00 C ATOM 848 O TRP A 510 -9.037 -1.678 3.657 1.00 0.00 O ATOM 849 CB TRP A 510 -9.025 -3.416 0.825 1.00 0.00 C ATOM 850 CG TRP A 510 -8.656 -4.841 1.101 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.837 -5.637 0.353 1.00 0.00 C ATOM 852 CD2 TRP A 510 -9.097 -5.645 2.202 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.737 -6.882 0.926 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.500 -6.912 2.062 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.937 -5.415 3.297 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -8.717 -7.943 2.972 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -10.151 -6.439 4.200 1.00 0.00 C ATOM 858 CH2 TRP A 510 -9.542 -7.689 4.033 1.00 0.00 C ATOM 0 H TRP A 510 -6.528 -3.455 0.675 1.00 0.00 H new ATOM 0 HA TRP A 510 -8.391 -1.377 1.261 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -10.061 -3.254 1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.972 -3.238 -0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.340 -5.333 -0.556 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.184 -7.658 0.563 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -10.410 -4.454 3.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.251 -8.909 2.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -10.798 -6.273 5.048 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -9.728 -8.469 4.757 1.00 0.00 H new ATOM 869 N SER A 511 -7.854 -3.567 3.589 1.00 0.00 N ATOM 870 CA SER A 511 -8.015 -3.893 4.982 1.00 0.00 C ATOM 871 C SER A 511 -7.415 -2.864 5.900 1.00 0.00 C ATOM 872 O SER A 511 -7.996 -2.524 6.931 1.00 0.00 O ATOM 873 CB SER A 511 -7.409 -5.265 5.277 1.00 0.00 C ATOM 874 OG SER A 511 -8.204 -5.986 6.203 1.00 0.00 O ATOM 0 H SER A 511 -7.298 -4.248 3.072 1.00 0.00 H new ATOM 0 HA SER A 511 -9.087 -3.909 5.176 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.319 -5.833 4.351 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.402 -5.143 5.675 1.00 0.00 H new ATOM 0 HG SER A 511 -8.710 -6.679 5.730 1.00 0.00 H new ATOM 880 N ALA A 512 -6.204 -2.452 5.591 1.00 0.00 N ATOM 881 CA ALA A 512 -5.503 -1.570 6.472 1.00 0.00 C ATOM 882 C ALA A 512 -6.015 -0.153 6.546 1.00 0.00 C ATOM 883 O ALA A 512 -6.562 0.248 7.575 1.00 0.00 O ATOM 884 CB ALA A 512 -4.026 -1.550 6.120 1.00 0.00 C ATOM 0 H ALA A 512 -5.698 -2.715 4.745 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.681 -1.987 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -3.500 -0.876 6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.615 -2.555 6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.901 -1.205 5.094 1.00 0.00 H new ATOM 890 N GLY A 513 -5.747 0.646 5.525 1.00 0.00 N ATOM 891 CA GLY A 513 -6.121 2.040 5.654 1.00 0.00 C ATOM 892 C GLY A 513 -7.143 2.679 4.742 1.00 0.00 C ATOM 893 O GLY A 513 -7.843 3.591 5.183 1.00 0.00 O ATOM 0 H GLY A 513 -5.300 0.375 4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -6.480 2.177 6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -5.205 2.622 5.557 1.00 0.00 H new ATOM 897 N LEU A 514 -7.139 2.357 3.457 1.00 0.00 N ATOM 898 CA LEU A 514 -8.001 3.130 2.555 1.00 0.00 C ATOM 899 C LEU A 514 -9.199 2.490 1.874 1.00 0.00 C ATOM 900 O LEU A 514 -10.157 3.211 1.591 1.00 0.00 O ATOM 901 CB LEU A 514 -7.152 3.849 1.506 1.00 0.00 C ATOM 902 CG LEU A 514 -6.204 2.989 0.679 1.00 0.00 C ATOM 903 CD1 LEU A 514 -6.955 2.271 -0.427 1.00 0.00 C ATOM 904 CD2 LEU A 514 -5.106 3.864 0.097 1.00 0.00 C ATOM 0 H LEU A 514 -6.588 1.614 3.028 1.00 0.00 H new ATOM 0 HA LEU A 514 -8.490 3.789 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -7.825 4.367 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -6.562 4.613 2.012 1.00 0.00 H new ATOM 0 HG LEU A 514 -5.757 2.233 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -6.259 1.663 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -7.720 1.630 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -7.426 3.004 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -4.427 3.250 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -5.550 4.630 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -4.553 4.340 0.907 1.00 0.00 H new ATOM 916 N VAL A 515 -9.142 1.234 1.455 1.00 0.00 N ATOM 917 CA VAL A 515 -10.251 0.753 0.646 1.00 0.00 C ATOM 918 C VAL A 515 -10.975 -0.523 1.101 1.00 0.00 C ATOM 919 O VAL A 515 -10.513 -1.290 1.936 1.00 0.00 O ATOM 920 CB VAL A 515 -9.733 0.610 -0.800 1.00 0.00 C ATOM 921 CG1 VAL A 515 -8.790 -0.571 -0.922 1.00 0.00 C ATOM 922 CG2 VAL A 515 -10.875 0.539 -1.806 1.00 0.00 C ATOM 0 H VAL A 515 -8.393 0.568 1.645 1.00 0.00 H new ATOM 0 HA VAL A 515 -11.039 1.498 0.753 1.00 0.00 H new ATOM 0 HB VAL A 515 -9.165 1.508 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -8.438 -0.651 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -7.938 -0.427 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -9.315 -1.486 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -10.468 0.439 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.504 -0.322 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -11.471 1.450 -1.745 1.00 0.00 H new ATOM 932 N ALA A 516 -12.140 -0.700 0.473 1.00 0.00 N ATOM 933 CA ALA A 516 -13.060 -1.816 0.651 1.00 0.00 C ATOM 934 C ALA A 516 -12.707 -2.916 -0.343 1.00 0.00 C ATOM 935 O ALA A 516 -13.420 -3.908 -0.498 1.00 0.00 O ATOM 936 CB ALA A 516 -14.503 -1.365 0.483 1.00 0.00 C ATOM 0 H ALA A 516 -12.482 -0.027 -0.212 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.962 -2.206 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -15.169 -2.217 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.734 -0.600 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.642 -0.954 -0.517 1.00 0.00 H new ATOM 942 N SER A 517 -11.665 -2.623 -1.101 1.00 0.00 N ATOM 943 CA SER A 517 -11.189 -3.389 -2.210 1.00 0.00 C ATOM 944 C SER A 517 -10.766 -4.817 -1.880 1.00 0.00 C ATOM 945 O SER A 517 -10.212 -5.483 -2.747 1.00 0.00 O ATOM 946 CB SER A 517 -10.014 -2.621 -2.834 1.00 0.00 C ATOM 947 OG SER A 517 -10.198 -2.396 -4.217 1.00 0.00 O ATOM 0 H SER A 517 -11.102 -1.788 -0.937 1.00 0.00 H new ATOM 0 HA SER A 517 -12.024 -3.506 -2.900 1.00 0.00 H new ATOM 0 HB2 SER A 517 -9.896 -1.665 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 517 -9.092 -3.181 -2.678 1.00 0.00 H new ATOM 0 HG SER A 517 -9.429 -1.904 -4.573 1.00 0.00 H new ATOM 953 N LYS A 518 -11.035 -5.345 -0.687 1.00 0.00 N ATOM 954 CA LYS A 518 -10.655 -6.737 -0.464 1.00 0.00 C ATOM 955 C LYS A 518 -11.071 -7.471 -1.734 1.00 0.00 C ATOM 956 O LYS A 518 -10.269 -8.165 -2.361 1.00 0.00 O ATOM 957 CB LYS A 518 -11.385 -7.336 0.749 1.00 0.00 C ATOM 958 CG LYS A 518 -12.759 -6.733 1.008 1.00 0.00 C ATOM 959 CD LYS A 518 -13.819 -7.809 1.182 1.00 0.00 C ATOM 960 CE LYS A 518 -15.218 -7.254 0.965 1.00 0.00 C ATOM 961 NZ LYS A 518 -16.199 -7.834 1.922 1.00 0.00 N ATOM 0 H LYS A 518 -11.485 -4.867 0.094 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.589 -6.824 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -11.494 -8.410 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -10.767 -7.198 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -12.721 -6.111 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -13.034 -6.082 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -13.635 -8.620 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -13.746 -8.234 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -15.200 -6.170 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -15.538 -7.465 -0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -17.140 -7.430 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -16.235 -8.866 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -15.908 -7.611 2.895 1.00 0.00 H new ATOM 975 N SER A 519 -12.294 -7.195 -2.169 1.00 0.00 N ATOM 976 CA SER A 519 -12.792 -7.697 -3.438 1.00 0.00 C ATOM 977 C SER A 519 -12.144 -6.907 -4.593 1.00 0.00 C ATOM 978 O SER A 519 -11.519 -7.472 -5.503 1.00 0.00 O ATOM 979 CB SER A 519 -14.316 -7.573 -3.503 1.00 0.00 C ATOM 980 OG SER A 519 -14.714 -6.215 -3.562 1.00 0.00 O ATOM 0 H SER A 519 -12.962 -6.621 -1.655 1.00 0.00 H new ATOM 0 HA SER A 519 -12.531 -8.751 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.690 -8.103 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.760 -8.048 -2.628 1.00 0.00 H new ATOM 0 HG SER A 519 -15.692 -6.162 -3.605 1.00 0.00 H new ATOM 986 N GLU A 520 -12.316 -5.570 -4.537 1.00 0.00 N ATOM 987 CA GLU A 520 -11.785 -4.673 -5.558 1.00 0.00 C ATOM 988 C GLU A 520 -10.263 -4.735 -5.632 1.00 0.00 C ATOM 989 O GLU A 520 -9.685 -4.839 -6.711 1.00 0.00 O ATOM 990 CB GLU A 520 -12.275 -3.237 -5.346 1.00 0.00 C ATOM 991 CG GLU A 520 -13.679 -2.991 -5.869 1.00 0.00 C ATOM 992 CD GLU A 520 -13.707 -2.719 -7.361 1.00 0.00 C ATOM 993 OE1 GLU A 520 -13.497 -3.672 -8.142 1.00 0.00 O ATOM 994 OE2 GLU A 520 -13.935 -1.554 -7.749 1.00 0.00 O ATOM 0 H GLU A 520 -12.822 -5.096 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 520 -12.168 -5.016 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -12.247 -3.006 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -11.587 -2.551 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -14.301 -3.859 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -14.116 -2.144 -5.341 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.627 -4.666 -4.479 1.00 0.00 N ATOM 1002 CA GLY A 521 -8.188 -4.710 -4.393 1.00 0.00 C ATOM 1003 C GLY A 521 -7.643 -5.852 -5.186 1.00 0.00 C ATOM 1004 O GLY A 521 -6.803 -5.653 -6.050 1.00 0.00 O ATOM 0 H GLY A 521 -10.097 -4.578 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.769 -3.773 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.884 -4.808 -3.351 1.00 0.00 H new ATOM 1008 N GLN A 522 -8.152 -7.049 -4.926 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.731 -8.223 -5.665 1.00 0.00 C ATOM 1010 C GLN A 522 -7.763 -7.903 -7.156 1.00 0.00 C ATOM 1011 O GLN A 522 -6.804 -8.164 -7.881 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.640 -9.413 -5.356 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.109 -10.314 -4.253 1.00 0.00 C ATOM 1014 CD GLN A 522 -8.388 -11.781 -4.514 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -9.135 -12.130 -5.427 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -7.787 -12.649 -3.708 1.00 0.00 N ATOM 0 H GLN A 522 -8.855 -7.228 -4.210 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.718 -8.493 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.624 -9.043 -5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -8.773 -10.003 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.034 -10.165 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -8.561 -10.025 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -7.175 -12.315 -2.963 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -7.937 -13.650 -3.834 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.870 -7.305 -7.599 1.00 0.00 N ATOM 1026 CA ARG A 523 -9.021 -6.913 -8.998 1.00 0.00 C ATOM 1027 C ARG A 523 -7.806 -6.116 -9.474 1.00 0.00 C ATOM 1028 O ARG A 523 -7.240 -6.409 -10.523 1.00 0.00 O ATOM 1029 CB ARG A 523 -10.293 -6.085 -9.188 1.00 0.00 C ATOM 1030 CG ARG A 523 -10.675 -5.894 -10.643 1.00 0.00 C ATOM 1031 CD ARG A 523 -10.737 -7.222 -11.379 1.00 0.00 C ATOM 1032 NE ARG A 523 -11.825 -7.259 -12.353 1.00 0.00 N ATOM 1033 CZ ARG A 523 -11.866 -6.505 -13.448 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -10.882 -5.655 -13.714 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -12.894 -6.601 -14.281 1.00 0.00 N ATOM 0 H ARG A 523 -9.672 -7.083 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 523 -9.097 -7.822 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -11.116 -6.572 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -10.154 -5.108 -8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -11.643 -5.397 -10.704 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -9.950 -5.241 -11.128 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -9.789 -7.399 -11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -10.868 -8.030 -10.659 1.00 0.00 H new ATOM 0 HE ARG A 523 -12.599 -7.901 -12.183 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -10.089 -5.577 -13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -10.919 -5.079 -14.555 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -13.653 -7.253 -14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -12.926 -6.023 -15.121 1.00 0.00 H new ATOM 1049 N ILE A 524 -7.405 -5.113 -8.698 1.00 0.00 N ATOM 1050 CA ILE A 524 -6.248 -4.294 -9.043 1.00 0.00 C ATOM 1051 C ILE A 524 -5.023 -5.181 -9.196 1.00 0.00 C ATOM 1052 O ILE A 524 -4.364 -5.191 -10.234 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.970 -3.223 -7.968 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -7.216 -2.363 -7.736 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.787 -2.356 -8.372 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -7.824 -1.812 -9.010 1.00 0.00 C ATOM 0 H ILE A 524 -7.864 -4.848 -7.827 1.00 0.00 H new ATOM 0 HA ILE A 524 -6.466 -3.786 -9.982 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.721 -3.727 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -7.965 -2.959 -7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -6.956 -1.533 -7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -4.606 -1.606 -7.602 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -3.901 -2.980 -8.487 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -5.006 -1.859 -9.317 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -8.702 -1.214 -8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -7.092 -1.189 -9.523 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -8.117 -2.637 -9.660 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.762 -5.958 -8.160 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.661 -6.897 -8.158 1.00 0.00 C ATOM 1070 C ILE A 525 -3.743 -7.725 -9.437 1.00 0.00 C ATOM 1071 O ILE A 525 -2.769 -7.882 -10.172 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.705 -7.847 -6.937 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.414 -7.210 -5.739 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.303 -8.253 -6.543 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -3.922 -5.818 -5.405 1.00 0.00 C ATOM 0 H ILE A 525 -5.308 -5.954 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.728 -6.336 -8.102 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.275 -8.728 -7.231 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.484 -7.168 -5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -4.281 -7.851 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.346 -8.921 -5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.825 -8.766 -7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.726 -7.365 -6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.472 -5.434 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -2.859 -5.855 -5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -4.081 -5.161 -6.260 1.00 0.00 H new ATOM 1087 N ASN A 526 -4.960 -8.210 -9.699 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.268 -8.989 -10.899 1.00 0.00 C ATOM 1089 C ASN A 526 -4.924 -8.158 -12.114 1.00 0.00 C ATOM 1090 O ASN A 526 -4.234 -8.603 -13.031 1.00 0.00 O ATOM 1091 CB ASN A 526 -6.746 -9.359 -10.931 1.00 0.00 C ATOM 1092 CG ASN A 526 -7.057 -10.591 -10.106 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -7.917 -10.431 -9.108 1.00 0.00 O flip ATOM 1094 ND2 ASN A 526 -6.531 -11.675 -10.363 1.00 0.00 N flip ATOM 0 H ASN A 526 -5.761 -8.072 -9.082 1.00 0.00 H new ATOM 0 HA ASN A 526 -4.685 -9.910 -10.894 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.335 -8.520 -10.560 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -7.051 -9.531 -11.963 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -5.875 -11.752 -11.140 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -6.751 -12.495 -9.798 1.00 0.00 H new ATOM 1101 N ASN A 527 -5.381 -6.917 -12.064 1.00 0.00 N ATOM 1102 CA ASN A 527 -5.113 -5.936 -13.100 1.00 0.00 C ATOM 1103 C ASN A 527 -3.625 -5.987 -13.413 1.00 0.00 C ATOM 1104 O ASN A 527 -3.207 -5.875 -14.566 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.568 -4.537 -12.658 1.00 0.00 C ATOM 1106 CG ASN A 527 -4.451 -3.512 -12.628 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -4.143 -3.024 -11.437 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -3.875 -3.167 -13.660 1.00 0.00 N flip ATOM 0 H ASN A 527 -5.952 -6.561 -11.298 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.678 -6.165 -14.004 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -6.350 -4.189 -13.333 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -6.012 -4.606 -11.665 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -4.148 -3.571 -14.556 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -3.125 -2.477 -13.619 1.00 0.00 H new ATOM 1115 N ASN A 528 -2.836 -6.148 -12.356 1.00 0.00 N ATOM 1116 CA ASN A 528 -1.390 -6.205 -12.468 1.00 0.00 C ATOM 1117 C ASN A 528 -0.798 -4.832 -12.734 1.00 0.00 C ATOM 1118 O ASN A 528 0.144 -4.678 -13.511 1.00 0.00 O ATOM 1119 CB ASN A 528 -0.976 -7.173 -13.580 1.00 0.00 C ATOM 1120 CG ASN A 528 0.442 -7.682 -13.405 1.00 0.00 C ATOM 1121 OD1 ASN A 528 0.576 -8.972 -13.118 1.00 0.00 O flip ATOM 1122 ND2 ASN A 528 1.405 -6.926 -13.528 1.00 0.00 N flip ATOM 0 H ASN A 528 -3.183 -6.242 -11.402 1.00 0.00 H new ATOM 0 HA ASN A 528 -1.001 -6.565 -11.515 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -1.663 -8.019 -13.596 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -1.063 -6.673 -14.545 1.00 0.00 H new ATOM 0 HD21 ASN A 528 1.256 -5.942 -13.749 1.00 0.00 H new ATOM 0 HD22 ASN A 528 2.353 -7.284 -13.409 1.00 0.00 H new ATOM 1129 N GLY A 529 -1.357 -3.839 -12.050 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.870 -2.474 -12.188 1.00 0.00 C ATOM 1131 C GLY A 529 -0.321 -1.916 -10.881 1.00 0.00 C ATOM 1132 O GLY A 529 -0.422 -0.717 -10.624 1.00 0.00 O ATOM 0 H GLY A 529 -2.137 -3.952 -11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 529 -0.089 -2.445 -12.948 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.681 -1.836 -12.540 1.00 0.00 H new ATOM 1136 N ALA A 530 0.245 -2.791 -10.048 1.00 0.00 N ATOM 1137 CA ALA A 530 0.792 -2.385 -8.755 1.00 0.00 C ATOM 1138 C ALA A 530 2.193 -2.978 -8.501 1.00 0.00 C ATOM 1139 O ALA A 530 2.606 -3.934 -9.152 1.00 0.00 O ATOM 1140 CB ALA A 530 -0.159 -2.817 -7.653 1.00 0.00 C ATOM 0 H ALA A 530 0.336 -3.787 -10.248 1.00 0.00 H new ATOM 0 HA ALA A 530 0.898 -1.300 -8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.244 -2.517 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -1.130 -2.345 -7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -0.275 -3.901 -7.677 1.00 0.00 H new ATOM 1146 N TYR A 531 2.899 -2.412 -7.526 1.00 0.00 N ATOM 1147 CA TYR A 531 4.227 -2.883 -7.120 1.00 0.00 C ATOM 1148 C TYR A 531 4.288 -2.950 -5.588 1.00 0.00 C ATOM 1149 O TYR A 531 3.576 -2.200 -4.917 1.00 0.00 O ATOM 1150 CB TYR A 531 5.329 -1.970 -7.685 1.00 0.00 C ATOM 1151 CG TYR A 531 6.300 -1.425 -6.653 1.00 0.00 C ATOM 1152 CD1 TYR A 531 7.427 -2.147 -6.268 1.00 0.00 C ATOM 1153 CD2 TYR A 531 6.088 -0.183 -6.069 1.00 0.00 C ATOM 1154 CE1 TYR A 531 8.309 -1.640 -5.328 1.00 0.00 C ATOM 1155 CE2 TYR A 531 6.965 0.327 -5.133 1.00 0.00 C ATOM 1156 CZ TYR A 531 8.073 -0.404 -4.766 1.00 0.00 C ATOM 1157 OH TYR A 531 8.948 0.102 -3.834 1.00 0.00 O ATOM 0 H TYR A 531 2.567 -1.610 -6.991 1.00 0.00 H new ATOM 0 HA TYR A 531 4.398 -3.880 -7.525 1.00 0.00 H new ATOM 0 HB2 TYR A 531 5.892 -2.526 -8.434 1.00 0.00 H new ATOM 0 HB3 TYR A 531 4.858 -1.131 -8.198 1.00 0.00 H new ATOM 0 HD1 TYR A 531 7.616 -3.115 -6.708 1.00 0.00 H new ATOM 0 HD2 TYR A 531 5.221 0.395 -6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 531 9.178 -2.211 -5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 531 6.783 1.295 -4.690 1.00 0.00 H new ATOM 0 HH TYR A 531 8.637 0.983 -3.538 1.00 0.00 H new ATOM 1167 N VAL A 532 5.129 -3.825 -5.019 1.00 0.00 N ATOM 1168 CA VAL A 532 5.212 -3.903 -3.559 1.00 0.00 C ATOM 1169 C VAL A 532 6.646 -3.768 -3.058 1.00 0.00 C ATOM 1170 O VAL A 532 7.587 -4.371 -3.592 1.00 0.00 O ATOM 1171 CB VAL A 532 4.565 -5.206 -3.018 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.592 -6.118 -2.353 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.441 -4.875 -2.047 1.00 0.00 C ATOM 0 H VAL A 532 5.739 -4.465 -5.527 1.00 0.00 H new ATOM 0 HA VAL A 532 4.646 -3.056 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 532 4.152 -5.746 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 532 5.097 -7.018 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 532 6.358 -6.393 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 532 6.056 -5.595 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.997 -5.799 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.840 -4.303 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.680 -4.286 -2.559 1.00 0.00 H new ATOM 1183 N GLY A 533 6.785 -2.960 -2.011 1.00 0.00 N ATOM 1184 CA GLY A 533 8.076 -2.722 -1.416 1.00 0.00 C ATOM 1185 C GLY A 533 8.068 -2.815 0.094 1.00 0.00 C ATOM 1186 O GLY A 533 7.054 -2.556 0.742 1.00 0.00 O ATOM 0 H GLY A 533 6.014 -2.464 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.790 -3.444 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.426 -1.733 -1.710 1.00 0.00 H new ATOM 1190 N SER A 534 9.214 -3.186 0.648 1.00 0.00 N ATOM 1191 CA SER A 534 9.373 -3.304 2.097 1.00 0.00 C ATOM 1192 C SER A 534 10.675 -2.657 2.559 1.00 0.00 C ATOM 1193 O SER A 534 11.710 -2.833 1.922 1.00 0.00 O ATOM 1194 CB SER A 534 9.343 -4.769 2.519 1.00 0.00 C ATOM 1195 OG SER A 534 8.129 -5.080 3.182 1.00 0.00 O ATOM 0 H SER A 534 10.054 -3.412 0.115 1.00 0.00 H new ATOM 0 HA SER A 534 8.541 -2.781 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 534 9.457 -5.407 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 534 10.186 -4.979 3.177 1.00 0.00 H new ATOM 0 HG SER A 534 8.326 -5.521 4.035 1.00 0.00 H new ATOM 1201 N ARG A 535 10.634 -1.920 3.667 1.00 0.00 N ATOM 1202 CA ARG A 535 11.842 -1.279 4.178 1.00 0.00 C ATOM 1203 C ARG A 535 11.739 -0.919 5.661 1.00 0.00 C ATOM 1204 O ARG A 535 11.324 0.185 6.010 1.00 0.00 O ATOM 1205 CB ARG A 535 12.145 -0.031 3.354 1.00 0.00 C ATOM 1206 CG ARG A 535 13.291 0.809 3.898 1.00 0.00 C ATOM 1207 CD ARG A 535 14.569 -0.003 4.022 1.00 0.00 C ATOM 1208 NE ARG A 535 15.619 0.738 4.719 1.00 0.00 N ATOM 1209 CZ ARG A 535 16.923 0.545 4.526 1.00 0.00 C ATOM 1210 NH1 ARG A 535 17.346 -0.366 3.659 1.00 0.00 N ATOM 1211 NH2 ARG A 535 17.806 1.265 5.203 1.00 0.00 N ATOM 0 H ARG A 535 9.793 -1.754 4.220 1.00 0.00 H new ATOM 0 HA ARG A 535 12.656 -1.997 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 535 12.381 -0.331 2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.248 0.586 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 535 13.463 1.661 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 535 13.018 1.210 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 535 14.361 -0.929 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 535 14.920 -0.282 3.028 1.00 0.00 H new ATOM 0 HE ARG A 535 15.336 1.447 5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 535 16.671 -0.924 3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 535 18.346 -0.509 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 535 17.487 1.966 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 535 18.805 1.118 5.056 1.00 0.00 H new ATOM 1401 N ASP A 549 14.999 -7.790 1.995 1.00 0.00 N ATOM 1402 CA ASP A 549 14.251 -7.545 3.211 1.00 0.00 C ATOM 1403 C ASP A 549 14.217 -6.048 3.467 1.00 0.00 C ATOM 1404 O ASP A 549 13.221 -5.500 3.940 1.00 0.00 O ATOM 1405 CB ASP A 549 14.887 -8.277 4.396 1.00 0.00 C ATOM 1406 CG ASP A 549 13.860 -8.989 5.255 1.00 0.00 C ATOM 1407 OD1 ASP A 549 12.985 -9.677 4.686 1.00 0.00 O ATOM 1408 OD2 ASP A 549 13.930 -8.859 6.494 1.00 0.00 O ATOM 0 HA ASP A 549 13.235 -7.923 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 549 15.612 -9.002 4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 549 15.436 -7.562 5.009 1.00 0.00 H new ATOM 1413 N ASP A 550 15.333 -5.395 3.139 1.00 0.00 N ATOM 1414 CA ASP A 550 15.465 -3.962 3.314 1.00 0.00 C ATOM 1415 C ASP A 550 14.629 -3.225 2.277 1.00 0.00 C ATOM 1416 O ASP A 550 13.955 -2.246 2.583 1.00 0.00 O ATOM 1417 CB ASP A 550 16.934 -3.544 3.209 1.00 0.00 C ATOM 1418 CG ASP A 550 17.500 -3.064 4.533 1.00 0.00 C ATOM 1419 OD1 ASP A 550 16.848 -3.285 5.575 1.00 0.00 O ATOM 1420 OD2 ASP A 550 18.597 -2.466 4.528 1.00 0.00 O ATOM 0 H ASP A 550 16.160 -5.847 2.748 1.00 0.00 H new ATOM 0 HA ASP A 550 15.101 -3.698 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 550 17.523 -4.388 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 550 17.030 -2.751 2.468 1.00 0.00 H new ATOM 1425 N LEU A 551 14.674 -3.718 1.048 1.00 0.00 N ATOM 1426 CA LEU A 551 13.910 -3.135 -0.045 1.00 0.00 C ATOM 1427 C LEU A 551 13.169 -4.236 -0.784 1.00 0.00 C ATOM 1428 O LEU A 551 13.710 -5.316 -0.990 1.00 0.00 O ATOM 1429 CB LEU A 551 14.830 -2.379 -1.011 1.00 0.00 C ATOM 1430 CG LEU A 551 14.279 -2.199 -2.431 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.159 -1.170 -2.444 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.391 -1.796 -3.388 1.00 0.00 C ATOM 0 H LEU A 551 15.236 -4.526 0.782 1.00 0.00 H new ATOM 0 HA LEU A 551 13.193 -2.424 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.040 -1.395 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.781 -2.909 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 551 13.870 -3.153 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.781 -1.056 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.352 -1.503 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.541 -0.212 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 551 14.981 -1.673 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.832 -0.855 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 551 16.158 -2.571 -3.402 1.00 0.00 H new ATOM 1444 N THR A 552 11.940 -3.973 -1.191 1.00 0.00 N ATOM 1445 CA THR A 552 11.180 -4.977 -1.917 1.00 0.00 C ATOM 1446 C THR A 552 10.512 -4.398 -3.155 1.00 0.00 C ATOM 1447 O THR A 552 10.086 -3.244 -3.178 1.00 0.00 O ATOM 1448 CB THR A 552 10.143 -5.645 -1.014 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.750 -6.119 0.173 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.450 -6.818 -1.672 1.00 0.00 C ATOM 0 H THR A 552 11.453 -3.090 -1.036 1.00 0.00 H new ATOM 0 HA THR A 552 11.890 -5.735 -2.247 1.00 0.00 H new ATOM 0 HB THR A 552 9.401 -4.876 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 552 10.911 -7.083 0.096 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.726 -7.248 -0.980 1.00 0.00 H new ATOM 0 HG22 THR A 552 8.935 -6.479 -2.571 1.00 0.00 H new ATOM 0 HG23 THR A 552 10.189 -7.573 -1.940 1.00 0.00 H new ATOM 1458 N PHE A 553 10.392 -5.238 -4.162 1.00 0.00 N ATOM 1459 CA PHE A 553 9.730 -4.887 -5.398 1.00 0.00 C ATOM 1460 C PHE A 553 8.801 -6.024 -5.764 1.00 0.00 C ATOM 1461 O PHE A 553 9.175 -7.184 -5.657 1.00 0.00 O ATOM 1462 CB PHE A 553 10.750 -4.650 -6.515 1.00 0.00 C ATOM 1463 CG PHE A 553 11.253 -3.237 -6.582 1.00 0.00 C ATOM 1464 CD1 PHE A 553 10.515 -2.253 -7.221 1.00 0.00 C ATOM 1465 CD2 PHE A 553 12.467 -2.892 -6.007 1.00 0.00 C ATOM 1466 CE1 PHE A 553 10.977 -0.952 -7.285 1.00 0.00 C ATOM 1467 CE2 PHE A 553 12.934 -1.593 -6.068 1.00 0.00 C ATOM 1468 CZ PHE A 553 12.188 -0.622 -6.708 1.00 0.00 C ATOM 0 H PHE A 553 10.755 -6.191 -4.144 1.00 0.00 H new ATOM 0 HA PHE A 553 9.168 -3.962 -5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.596 -5.321 -6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.296 -4.911 -7.471 1.00 0.00 H new ATOM 0 HD1 PHE A 553 9.568 -2.506 -7.674 1.00 0.00 H new ATOM 0 HD2 PHE A 553 13.054 -3.647 -5.506 1.00 0.00 H new ATOM 0 HE1 PHE A 553 10.392 -0.194 -7.785 1.00 0.00 H new ATOM 0 HE2 PHE A 553 13.881 -1.337 -5.616 1.00 0.00 H new ATOM 0 HZ PHE A 553 12.551 0.394 -6.757 1.00 0.00 H new ATOM 1478 N THR A 554 7.603 -5.721 -6.193 1.00 0.00 N ATOM 1479 CA THR A 554 6.681 -6.773 -6.565 1.00 0.00 C ATOM 1480 C THR A 554 6.014 -6.446 -7.891 1.00 0.00 C ATOM 1481 O THR A 554 5.627 -5.306 -8.130 1.00 0.00 O ATOM 1482 CB THR A 554 5.674 -6.996 -5.428 1.00 0.00 C ATOM 1483 OG1 THR A 554 5.990 -8.178 -4.714 1.00 0.00 O ATOM 1484 CG2 THR A 554 4.226 -7.108 -5.853 1.00 0.00 C ATOM 0 H THR A 554 7.243 -4.772 -6.294 1.00 0.00 H new ATOM 0 HA THR A 554 7.219 -7.709 -6.712 1.00 0.00 H new ATOM 0 HB THR A 554 5.766 -6.097 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 554 5.287 -8.845 -4.858 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.600 -7.264 -4.974 1.00 0.00 H new ATOM 0 HG22 THR A 554 3.923 -6.190 -6.356 1.00 0.00 H new ATOM 0 HG23 THR A 554 4.111 -7.951 -6.535 1.00 0.00 H new ATOM 1492 N PRO A 555 5.850 -7.440 -8.769 1.00 0.00 N ATOM 1493 CA PRO A 555 5.207 -7.234 -10.047 1.00 0.00 C ATOM 1494 C PRO A 555 3.693 -7.373 -9.927 1.00 0.00 C ATOM 1495 O PRO A 555 2.994 -7.569 -10.918 1.00 0.00 O ATOM 1496 CB PRO A 555 5.818 -8.331 -10.899 1.00 0.00 C ATOM 1497 CG PRO A 555 6.045 -9.460 -9.951 1.00 0.00 C ATOM 1498 CD PRO A 555 6.262 -8.841 -8.589 1.00 0.00 C ATOM 0 HA PRO A 555 5.358 -6.239 -10.465 1.00 0.00 H new ATOM 0 HB2 PRO A 555 5.150 -8.622 -11.710 1.00 0.00 H new ATOM 0 HB3 PRO A 555 6.751 -8.004 -11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 555 5.189 -10.134 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 555 6.911 -10.050 -10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.665 -9.338 -7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.304 -8.914 -8.278 1.00 0.00 H new ATOM 1506 N ILE A 556 3.208 -7.226 -8.688 1.00 0.00 N ATOM 1507 CA ILE A 556 1.787 -7.270 -8.379 1.00 0.00 C ATOM 1508 C ILE A 556 1.106 -8.600 -8.668 1.00 0.00 C ATOM 1509 O ILE A 556 -0.059 -8.630 -9.063 1.00 0.00 O ATOM 1510 CB ILE A 556 0.996 -6.095 -8.949 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.374 -5.991 -8.280 1.00 0.00 C ATOM 1512 CG2 ILE A 556 0.848 -6.223 -10.428 1.00 0.00 C ATOM 1513 CD1 ILE A 556 -0.322 -6.073 -6.770 1.00 0.00 C ATOM 0 H ILE A 556 3.800 -7.073 -7.872 1.00 0.00 H new ATOM 0 HA ILE A 556 1.771 -7.166 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 556 1.551 -5.180 -8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.838 -5.048 -8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.014 -6.789 -8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.281 -5.375 -10.812 1.00 0.00 H new ATOM 0 HG22 ILE A 556 1.834 -6.240 -10.892 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.320 -7.148 -10.662 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -1.331 -5.992 -6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.112 -7.027 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.290 -5.259 -6.382 1.00 0.00 H new ATOM 1525 N LYS A 557 1.812 -9.698 -8.466 1.00 0.00 N ATOM 1526 CA LYS A 557 1.226 -11.005 -8.706 1.00 0.00 C ATOM 1527 C LYS A 557 0.888 -11.553 -7.338 1.00 0.00 C ATOM 1528 O LYS A 557 1.713 -11.554 -6.423 1.00 0.00 O ATOM 1529 CB LYS A 557 2.205 -11.927 -9.437 1.00 0.00 C ATOM 1530 CG LYS A 557 1.954 -12.017 -10.934 1.00 0.00 C ATOM 1531 CD LYS A 557 2.721 -13.172 -11.557 1.00 0.00 C ATOM 1532 CE LYS A 557 4.050 -12.712 -12.134 1.00 0.00 C ATOM 1533 NZ LYS A 557 5.173 -12.926 -11.180 1.00 0.00 N ATOM 0 H LYS A 557 2.779 -9.713 -8.141 1.00 0.00 H new ATOM 0 HA LYS A 557 0.344 -10.935 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.221 -11.571 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.141 -12.926 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.887 -12.145 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 557 2.250 -11.083 -11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 557 2.897 -13.941 -10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 557 2.120 -13.627 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 557 4.251 -13.253 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 557 3.988 -11.654 -12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 6.062 -12.600 -11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 4.994 -12.390 -10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 5.249 -13.938 -10.955 1.00 0.00 H new ATOM 1547 N THR A 558 -0.393 -11.860 -7.172 1.00 0.00 N ATOM 1548 CA THR A 558 -0.925 -12.228 -5.876 1.00 0.00 C ATOM 1549 C THR A 558 -0.251 -13.412 -5.201 1.00 0.00 C ATOM 1550 O THR A 558 -0.307 -14.554 -5.654 1.00 0.00 O ATOM 1551 CB THR A 558 -2.423 -12.510 -6.001 1.00 0.00 C ATOM 1552 OG1 THR A 558 -3.068 -11.481 -6.730 1.00 0.00 O ATOM 1553 CG2 THR A 558 -3.122 -12.631 -4.663 1.00 0.00 C ATOM 0 H THR A 558 -1.081 -11.860 -7.925 1.00 0.00 H new ATOM 0 HA THR A 558 -0.721 -11.372 -5.233 1.00 0.00 H new ATOM 0 HB THR A 558 -2.495 -13.466 -6.519 1.00 0.00 H new ATOM 0 HG1 THR A 558 -4.025 -11.680 -6.801 1.00 0.00 H new ATOM 0 HG21 THR A 558 -4.182 -12.831 -4.823 1.00 0.00 H new ATOM 0 HG22 THR A 558 -2.680 -13.449 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 558 -3.008 -11.700 -4.108 1.00 0.00 H new ATOM 1561 N TRP A 559 0.308 -13.084 -4.042 1.00 0.00 N ATOM 1562 CA TRP A 559 0.940 -14.022 -3.132 1.00 0.00 C ATOM 1563 C TRP A 559 0.495 -13.607 -1.738 1.00 0.00 C ATOM 1564 O TRP A 559 0.831 -12.509 -1.293 1.00 0.00 O ATOM 1565 CB TRP A 559 2.461 -13.977 -3.255 1.00 0.00 C ATOM 1566 CG TRP A 559 2.970 -12.682 -3.807 1.00 0.00 C ATOM 1567 CD1 TRP A 559 2.648 -11.425 -3.383 1.00 0.00 C ATOM 1568 CD2 TRP A 559 3.881 -12.519 -4.895 1.00 0.00 C ATOM 1569 NE1 TRP A 559 3.313 -10.490 -4.136 1.00 0.00 N ATOM 1570 CE2 TRP A 559 4.076 -11.138 -5.070 1.00 0.00 C ATOM 1571 CE3 TRP A 559 4.555 -13.408 -5.737 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 4.916 -10.626 -6.048 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 5.389 -12.895 -6.711 1.00 0.00 C ATOM 1574 CH2 TRP A 559 5.564 -11.517 -6.858 1.00 0.00 C ATOM 0 H TRP A 559 0.333 -12.123 -3.701 1.00 0.00 H new ATOM 0 HA TRP A 559 0.650 -15.048 -3.358 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.904 -14.145 -2.273 1.00 0.00 H new ATOM 0 HB3 TRP A 559 2.791 -14.793 -3.897 1.00 0.00 H new ATOM 0 HD1 TRP A 559 1.969 -11.199 -2.574 1.00 0.00 H new ATOM 0 HE1 TRP A 559 3.249 -9.479 -4.019 1.00 0.00 H new ATOM 0 HE3 TRP A 559 4.426 -14.475 -5.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 5.053 -9.561 -6.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 5.915 -13.570 -7.370 1.00 0.00 H new ATOM 0 HH2 TRP A 559 6.225 -11.147 -7.628 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.310 -14.411 -1.070 1.00 0.00 N ATOM 1586 CA ASN A 560 -0.817 -13.991 0.228 1.00 0.00 C ATOM 1587 C ASN A 560 0.167 -14.191 1.375 1.00 0.00 C ATOM 1588 O ASN A 560 0.716 -13.230 1.901 1.00 0.00 O ATOM 1589 CB ASN A 560 -2.116 -14.735 0.536 1.00 0.00 C ATOM 1590 CG ASN A 560 -3.207 -14.436 -0.472 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -3.033 -13.606 -1.364 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -4.341 -15.114 -0.335 1.00 0.00 N ATOM 0 H ASN A 560 -0.621 -15.329 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 560 -0.987 -12.917 0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -1.922 -15.808 0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.461 -14.460 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -5.111 -14.956 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -4.441 -15.793 0.420 1.00 0.00 H new ATOM 1599 N ALA A 561 0.338 -15.428 1.796 1.00 0.00 N ATOM 1600 CA ALA A 561 1.203 -15.740 2.929 1.00 0.00 C ATOM 1601 C ALA A 561 2.706 -15.653 2.673 1.00 0.00 C ATOM 1602 O ALA A 561 3.406 -14.862 3.302 1.00 0.00 O ATOM 1603 CB ALA A 561 0.836 -17.095 3.480 1.00 0.00 C ATOM 0 H ALA A 561 -0.110 -16.240 1.372 1.00 0.00 H new ATOM 0 HA ALA A 561 1.017 -14.950 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.481 -17.330 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -0.204 -17.085 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 561 0.965 -17.850 2.705 1.00 0.00 H new ATOM 1609 N SER A 562 3.209 -16.521 1.815 1.00 0.00 N ATOM 1610 CA SER A 562 4.642 -16.597 1.550 1.00 0.00 C ATOM 1611 C SER A 562 5.278 -15.245 1.260 1.00 0.00 C ATOM 1612 O SER A 562 6.292 -14.882 1.867 1.00 0.00 O ATOM 1613 CB SER A 562 4.906 -17.550 0.383 1.00 0.00 C ATOM 1614 OG SER A 562 3.847 -17.511 -0.558 1.00 0.00 O ATOM 0 H SER A 562 2.647 -17.188 1.285 1.00 0.00 H new ATOM 0 HA SER A 562 5.105 -16.972 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 562 5.842 -17.280 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 562 5.025 -18.566 0.759 1.00 0.00 H new ATOM 0 HG SER A 562 4.041 -18.128 -1.295 1.00 0.00 H new ATOM 1620 N LYS A 563 4.710 -14.513 0.324 1.00 0.00 N ATOM 1621 CA LYS A 563 5.270 -13.224 -0.050 1.00 0.00 C ATOM 1622 C LYS A 563 5.079 -12.167 1.028 1.00 0.00 C ATOM 1623 O LYS A 563 6.025 -11.469 1.386 1.00 0.00 O ATOM 1624 CB LYS A 563 4.681 -12.740 -1.371 1.00 0.00 C ATOM 1625 CG LYS A 563 5.260 -11.413 -1.836 1.00 0.00 C ATOM 1626 CD LYS A 563 6.771 -11.361 -1.666 1.00 0.00 C ATOM 1627 CE LYS A 563 7.460 -12.443 -2.481 1.00 0.00 C ATOM 1628 NZ LYS A 563 8.824 -12.031 -2.912 1.00 0.00 N ATOM 0 H LYS A 563 3.870 -14.781 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 563 6.343 -13.374 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 563 4.857 -13.494 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 563 3.601 -12.640 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 563 5.007 -11.254 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 563 4.803 -10.600 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 563 7.139 -10.382 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 563 7.024 -11.481 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 563 7.527 -13.356 -1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 563 6.857 -12.676 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 9.023 -12.422 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 8.877 -10.993 -2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 9.526 -12.389 -2.233 1.00 0.00 H new ATOM 1642 N THR A 564 3.860 -12.032 1.534 1.00 0.00 N ATOM 1643 CA THR A 564 3.577 -11.029 2.557 1.00 0.00 C ATOM 1644 C THR A 564 4.595 -11.119 3.693 1.00 0.00 C ATOM 1645 O THR A 564 5.368 -10.195 3.912 1.00 0.00 O ATOM 1646 CB THR A 564 2.127 -11.145 3.049 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.674 -9.915 3.590 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.887 -12.201 4.091 1.00 0.00 C ATOM 0 H THR A 564 3.057 -12.597 1.257 1.00 0.00 H new ATOM 0 HA THR A 564 3.679 -10.037 2.118 1.00 0.00 H new ATOM 0 HB THR A 564 1.575 -11.430 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 564 1.169 -10.086 4.412 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.834 -12.202 4.372 1.00 0.00 H new ATOM 0 HG22 THR A 564 2.157 -13.177 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.496 -11.990 4.970 1.00 0.00 H new ATOM 1656 N GLN A 565 4.630 -12.248 4.382 1.00 0.00 N ATOM 1657 CA GLN A 565 5.583 -12.453 5.464 1.00 0.00 C ATOM 1658 C GLN A 565 7.005 -12.084 5.032 1.00 0.00 C ATOM 1659 O GLN A 565 7.720 -11.396 5.757 1.00 0.00 O ATOM 1660 CB GLN A 565 5.541 -13.908 5.939 1.00 0.00 C ATOM 1661 CG GLN A 565 5.448 -14.053 7.450 1.00 0.00 C ATOM 1662 CD GLN A 565 6.495 -13.237 8.182 1.00 0.00 C ATOM 1663 OE1 GLN A 565 6.161 -11.990 8.496 1.00 0.00 O flip ATOM 1664 NE2 GLN A 565 7.592 -13.721 8.463 1.00 0.00 N flip ATOM 0 H GLN A 565 4.009 -13.039 4.212 1.00 0.00 H new ATOM 0 HA GLN A 565 5.299 -11.798 6.288 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.686 -14.406 5.481 1.00 0.00 H new ATOM 0 HB3 GLN A 565 6.436 -14.422 5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 565 4.456 -13.744 7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 565 5.560 -15.104 7.718 1.00 0.00 H new ATOM 0 HE21 GLN A 565 7.807 -14.684 8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 565 8.286 -13.159 8.956 1.00 0.00 H new ATOM 1673 N GLU A 566 7.418 -12.569 3.862 1.00 0.00 N ATOM 1674 CA GLU A 566 8.767 -12.313 3.351 1.00 0.00 C ATOM 1675 C GLU A 566 9.144 -10.831 3.399 1.00 0.00 C ATOM 1676 O GLU A 566 10.172 -10.471 3.970 1.00 0.00 O ATOM 1677 CB GLU A 566 8.893 -12.827 1.912 1.00 0.00 C ATOM 1678 CG GLU A 566 10.157 -12.359 1.199 1.00 0.00 C ATOM 1679 CD GLU A 566 10.806 -13.459 0.383 1.00 0.00 C ATOM 1680 OE1 GLU A 566 11.155 -14.506 0.967 1.00 0.00 O ATOM 1681 OE2 GLU A 566 10.967 -13.273 -0.842 1.00 0.00 O ATOM 0 H GLU A 566 6.839 -13.142 3.249 1.00 0.00 H new ATOM 0 HA GLU A 566 9.458 -12.848 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.876 -13.917 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 566 8.023 -12.500 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 566 9.912 -11.522 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.870 -11.989 1.936 1.00 0.00 H new ATOM 1688 N PHE A 567 8.337 -9.985 2.769 1.00 0.00 N ATOM 1689 CA PHE A 567 8.623 -8.554 2.719 1.00 0.00 C ATOM 1690 C PHE A 567 7.862 -7.780 3.800 1.00 0.00 C ATOM 1691 O PHE A 567 8.423 -6.940 4.503 1.00 0.00 O ATOM 1692 CB PHE A 567 8.286 -8.015 1.316 1.00 0.00 C ATOM 1693 CG PHE A 567 6.896 -7.444 1.173 1.00 0.00 C ATOM 1694 CD1 PHE A 567 5.791 -8.278 1.155 1.00 0.00 C ATOM 1695 CD2 PHE A 567 6.699 -6.078 1.054 1.00 0.00 C ATOM 1696 CE1 PHE A 567 4.517 -7.763 1.024 1.00 0.00 C ATOM 1697 CE2 PHE A 567 5.425 -5.556 0.922 1.00 0.00 C ATOM 1698 CZ PHE A 567 4.334 -6.401 0.908 1.00 0.00 C ATOM 0 H PHE A 567 7.482 -10.263 2.287 1.00 0.00 H new ATOM 0 HA PHE A 567 9.685 -8.409 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 567 9.009 -7.242 1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 567 8.408 -8.822 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 567 5.928 -9.346 1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 567 7.550 -5.413 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 567 3.664 -8.426 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 567 5.284 -4.489 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 567 3.338 -5.996 0.806 1.00 0.00 H new ATOM 1708 N ILE A 568 6.587 -8.094 3.917 1.00 0.00 N ATOM 1709 CA ILE A 568 5.673 -7.483 4.879 1.00 0.00 C ATOM 1710 C ILE A 568 6.098 -7.628 6.314 1.00 0.00 C ATOM 1711 O ILE A 568 5.320 -7.307 7.211 1.00 0.00 O ATOM 1712 CB ILE A 568 4.225 -7.975 4.697 1.00 0.00 C ATOM 1713 CG1 ILE A 568 3.260 -6.802 4.787 1.00 0.00 C ATOM 1714 CG2 ILE A 568 3.856 -9.044 5.724 1.00 0.00 C ATOM 1715 CD1 ILE A 568 3.594 -5.671 3.847 1.00 0.00 C ATOM 0 H ILE A 568 6.140 -8.800 3.332 1.00 0.00 H new ATOM 0 HA ILE A 568 5.714 -6.418 4.652 1.00 0.00 H new ATOM 0 HB ILE A 568 4.150 -8.429 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 568 2.251 -7.155 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 568 3.255 -6.424 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 568 2.827 -9.365 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 568 4.524 -9.899 5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.954 -8.633 6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 568 2.864 -4.871 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 568 4.590 -5.291 4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 568 3.570 -6.033 2.819 1.00 0.00 H new ATOM 1727 N ILE A 569 7.301 -8.099 6.564 1.00 0.00 N ATOM 1728 CA ILE A 569 7.717 -8.222 7.938 1.00 0.00 C ATOM 1729 C ILE A 569 7.532 -6.842 8.527 1.00 0.00 C ATOM 1730 O ILE A 569 7.008 -6.685 9.629 1.00 0.00 O ATOM 1731 CB ILE A 569 9.197 -8.642 8.085 1.00 0.00 C ATOM 1732 CG1 ILE A 569 10.102 -7.844 7.116 1.00 0.00 C ATOM 1733 CG2 ILE A 569 9.348 -10.146 7.892 1.00 0.00 C ATOM 1734 CD1 ILE A 569 10.523 -8.600 5.871 1.00 0.00 C ATOM 0 H ILE A 569 7.982 -8.392 5.863 1.00 0.00 H new ATOM 0 HA ILE A 569 7.135 -8.996 8.438 1.00 0.00 H new ATOM 0 HB ILE A 569 9.524 -8.404 9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 569 9.577 -6.938 6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 569 10.997 -7.529 7.653 1.00 0.00 H new ATOM 0 HG21 ILE A 569 10.397 -10.423 7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 569 8.756 -10.670 8.642 1.00 0.00 H new ATOM 0 HG23 ILE A 569 9.000 -10.422 6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 569 11.154 -7.961 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 569 11.080 -9.492 6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 569 9.638 -8.891 5.305 1.00 0.00 H new ATOM 1746 N ASP A 570 7.866 -5.846 7.706 1.00 0.00 N ATOM 1747 CA ASP A 570 7.636 -4.451 8.027 1.00 0.00 C ATOM 1748 C ASP A 570 7.729 -4.181 9.511 1.00 0.00 C ATOM 1749 O ASP A 570 6.757 -3.698 10.096 1.00 0.00 O ATOM 1750 CB ASP A 570 6.272 -4.004 7.497 1.00 0.00 C ATOM 1751 CG ASP A 570 5.150 -4.917 7.931 1.00 0.00 C ATOM 1752 OD1 ASP A 570 5.208 -5.438 9.062 1.00 0.00 O ATOM 1753 OD2 ASP A 570 4.205 -5.106 7.140 1.00 0.00 O ATOM 0 H ASP A 570 8.305 -5.993 6.797 1.00 0.00 H new ATOM 0 HA ASP A 570 8.423 -3.875 7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 570 6.066 -2.992 7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 570 6.304 -3.967 6.408 1.00 0.00 H new ATOM 1758 N GLY A 571 8.853 -4.479 10.145 1.00 0.00 N ATOM 1759 CA GLY A 571 8.904 -4.212 11.561 1.00 0.00 C ATOM 1760 C GLY A 571 8.482 -2.789 11.801 1.00 0.00 C ATOM 1761 O GLY A 571 7.636 -2.514 12.652 1.00 0.00 O ATOM 0 H GLY A 571 9.692 -4.882 9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.247 -4.896 12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 571 9.913 -4.376 11.940 1.00 0.00 H new ATOM 1765 N ASP A 572 9.014 -1.886 10.986 1.00 0.00 N ATOM 1766 CA ASP A 572 8.617 -0.500 11.056 1.00 0.00 C ATOM 1767 C ASP A 572 8.003 0.000 9.741 1.00 0.00 C ATOM 1768 O ASP A 572 7.376 1.060 9.731 1.00 0.00 O ATOM 1769 CB ASP A 572 9.820 0.371 11.426 1.00 0.00 C ATOM 1770 CG ASP A 572 10.564 -0.156 12.637 1.00 0.00 C ATOM 1771 OD1 ASP A 572 9.898 -0.551 13.618 1.00 0.00 O ATOM 1772 OD2 ASP A 572 11.812 -0.173 12.607 1.00 0.00 O ATOM 0 H ASP A 572 9.716 -2.094 10.276 1.00 0.00 H new ATOM 0 HA ASP A 572 7.850 -0.424 11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.502 0.423 10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.481 1.388 11.625 1.00 0.00 H new ATOM 1777 N LEU A 573 8.203 -0.718 8.614 1.00 0.00 N ATOM 1778 CA LEU A 573 7.663 -0.226 7.350 1.00 0.00 C ATOM 1779 C LEU A 573 7.073 -1.274 6.436 1.00 0.00 C ATOM 1780 O LEU A 573 7.674 -2.306 6.164 1.00 0.00 O ATOM 1781 CB LEU A 573 8.732 0.544 6.586 1.00 0.00 C ATOM 1782 CG LEU A 573 8.203 1.451 5.473 1.00 0.00 C ATOM 1783 CD1 LEU A 573 8.178 2.902 5.929 1.00 0.00 C ATOM 1784 CD2 LEU A 573 9.047 1.299 4.216 1.00 0.00 C ATOM 0 H LEU A 573 8.712 -1.600 8.561 1.00 0.00 H new ATOM 0 HA LEU A 573 6.832 0.415 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.296 1.153 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.432 -0.170 6.151 1.00 0.00 H new ATOM 0 HG LEU A 573 7.182 1.149 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.799 3.530 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.530 2.999 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.188 3.218 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.657 1.951 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 573 10.079 1.573 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 573 9.011 0.264 3.876 1.00 0.00 H new ATOM 1796 N LEU A 574 5.941 -0.916 5.884 1.00 0.00 N ATOM 1797 CA LEU A 574 5.277 -1.708 4.880 1.00 0.00 C ATOM 1798 C LEU A 574 4.853 -0.730 3.792 1.00 0.00 C ATOM 1799 O LEU A 574 4.284 0.315 4.105 1.00 0.00 O ATOM 1800 CB LEU A 574 4.063 -2.431 5.479 1.00 0.00 C ATOM 1801 CG LEU A 574 2.766 -2.386 4.656 1.00 0.00 C ATOM 1802 CD1 LEU A 574 3.008 -2.845 3.223 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.693 -3.237 5.317 1.00 0.00 C ATOM 0 H LEU A 574 5.449 -0.055 6.123 1.00 0.00 H new ATOM 0 HA LEU A 574 5.931 -2.482 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 574 4.331 -3.476 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.860 -2.002 6.460 1.00 0.00 H new ATOM 0 HG LEU A 574 2.421 -1.353 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 574 2.073 -2.803 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 574 3.742 -2.192 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 574 3.382 -3.869 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 574 0.780 -3.196 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 574 2.037 -4.269 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.492 -2.856 6.318 1.00 0.00 H new ATOM 1815 N ILE A 575 5.085 -1.045 2.536 1.00 0.00 N ATOM 1816 CA ILE A 575 4.663 -0.140 1.465 1.00 0.00 C ATOM 1817 C ILE A 575 3.963 -0.887 0.357 1.00 0.00 C ATOM 1818 O ILE A 575 4.431 -1.927 -0.112 1.00 0.00 O ATOM 1819 CB ILE A 575 5.827 0.654 0.820 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.169 0.270 1.433 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.592 2.150 0.956 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.334 1.067 0.885 1.00 0.00 C ATOM 0 H ILE A 575 5.551 -1.897 2.226 1.00 0.00 H new ATOM 0 HA ILE A 575 3.990 0.563 1.956 1.00 0.00 H new ATOM 0 HB ILE A 575 5.857 0.398 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.119 0.410 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.350 -0.790 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.419 2.691 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 575 4.661 2.419 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.527 2.414 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.256 0.741 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.410 0.908 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.176 2.127 1.085 1.00 0.00 H new ATOM 1834 N LEU A 576 2.874 -0.313 -0.095 1.00 0.00 N ATOM 1835 CA LEU A 576 2.123 -0.861 -1.189 1.00 0.00 C ATOM 1836 C LEU A 576 1.798 0.263 -2.134 1.00 0.00 C ATOM 1837 O LEU A 576 1.366 1.327 -1.695 1.00 0.00 O ATOM 1838 CB LEU A 576 0.828 -1.505 -0.668 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.496 -0.959 -1.250 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.901 -1.747 -2.494 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.583 -1.040 -0.194 1.00 0.00 C ATOM 0 H LEU A 576 2.486 0.549 0.289 1.00 0.00 H new ATOM 0 HA LEU A 576 2.702 -1.630 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.874 -2.575 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.799 -1.386 0.415 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.355 0.082 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.835 -1.348 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -0.121 -1.660 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -1.037 -2.796 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.517 -0.655 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.720 -2.078 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.294 -0.445 0.672 1.00 0.00 H new ATOM 1853 N LYS A 577 1.956 0.052 -3.414 1.00 0.00 N ATOM 1854 CA LYS A 577 1.604 1.104 -4.345 1.00 0.00 C ATOM 1855 C LYS A 577 0.759 0.553 -5.473 1.00 0.00 C ATOM 1856 O LYS A 577 1.081 -0.481 -6.053 1.00 0.00 O ATOM 1857 CB LYS A 577 2.859 1.778 -4.897 1.00 0.00 C ATOM 1858 CG LYS A 577 3.484 2.778 -3.938 1.00 0.00 C ATOM 1859 CD LYS A 577 4.891 2.364 -3.537 1.00 0.00 C ATOM 1860 CE LYS A 577 5.215 2.787 -2.114 1.00 0.00 C ATOM 1861 NZ LYS A 577 6.196 3.906 -2.076 1.00 0.00 N ATOM 0 H LYS A 577 2.314 -0.807 -3.831 1.00 0.00 H new ATOM 0 HA LYS A 577 1.020 1.853 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 577 3.595 1.012 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 577 2.608 2.287 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 577 3.513 3.762 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 577 2.862 2.866 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 577 4.992 1.282 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 577 5.611 2.810 -4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 577 4.298 3.091 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 577 5.615 1.935 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 6.668 3.922 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 6.906 3.771 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 5.700 4.808 -2.228 1.00 0.00 H new ATOM 1875 N LEU A 578 -0.300 1.266 -5.811 1.00 0.00 N ATOM 1876 CA LEU A 578 -1.156 0.860 -6.906 1.00 0.00 C ATOM 1877 C LEU A 578 -1.212 1.999 -7.907 1.00 0.00 C ATOM 1878 O LEU A 578 -1.431 3.164 -7.538 1.00 0.00 O ATOM 1879 CB LEU A 578 -2.565 0.523 -6.387 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.615 -0.162 -5.009 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -3.422 0.668 -4.008 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -3.199 -1.566 -5.128 1.00 0.00 C ATOM 0 H LEU A 578 -0.586 2.126 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.758 -0.035 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -3.145 1.444 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -3.056 -0.124 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.593 -0.240 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -3.440 0.159 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -2.960 1.648 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -4.442 0.788 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -3.226 -2.033 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -4.211 -1.506 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -2.578 -2.163 -5.796 1.00 0.00 H new ATOM 1894 N GLY A 579 -1.019 1.650 -9.173 1.00 0.00 N ATOM 1895 CA GLY A 579 -1.017 2.643 -10.220 1.00 0.00 C ATOM 1896 C GLY A 579 -2.373 2.890 -10.810 1.00 0.00 C ATOM 1897 O GLY A 579 -2.519 3.752 -11.679 1.00 0.00 O ATOM 0 H GLY A 579 -0.864 0.693 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 579 -0.626 3.579 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 579 -0.337 2.325 -11.011 1.00 0.00 H new ATOM 1901 N LYS A 580 -3.381 2.162 -10.352 1.00 0.00 N ATOM 1902 CA LYS A 580 -4.700 2.381 -10.887 1.00 0.00 C ATOM 1903 C LYS A 580 -5.233 3.696 -10.359 1.00 0.00 C ATOM 1904 O LYS A 580 -5.692 4.534 -11.134 1.00 0.00 O ATOM 1905 CB LYS A 580 -5.642 1.229 -10.527 1.00 0.00 C ATOM 1906 CG LYS A 580 -5.699 0.917 -9.041 1.00 0.00 C ATOM 1907 CD LYS A 580 -6.951 1.490 -8.399 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.727 1.806 -6.931 1.00 0.00 C ATOM 1909 NZ LYS A 580 -6.336 0.599 -6.154 1.00 0.00 N ATOM 0 H LYS A 580 -3.309 1.440 -9.635 1.00 0.00 H new ATOM 0 HA LYS A 580 -4.641 2.422 -11.975 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -6.646 1.472 -10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -5.326 0.334 -11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -5.675 -0.163 -8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -4.817 1.326 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -7.250 2.396 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -7.771 0.778 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -5.950 2.564 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -7.638 2.230 -6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -6.193 0.859 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -7.089 -0.116 -6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -5.453 0.209 -6.540 1.00 0.00 H new ATOM 1923 N TRP A 581 -5.126 3.909 -9.049 1.00 0.00 N ATOM 1924 CA TRP A 581 -5.566 5.169 -8.480 1.00 0.00 C ATOM 1925 C TRP A 581 -4.641 5.730 -7.402 1.00 0.00 C ATOM 1926 O TRP A 581 -4.292 6.909 -7.433 1.00 0.00 O ATOM 1927 CB TRP A 581 -6.973 5.027 -7.887 1.00 0.00 C ATOM 1928 CG TRP A 581 -8.040 4.752 -8.901 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -8.091 5.212 -10.185 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -9.220 3.960 -8.711 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -9.222 4.742 -10.809 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -9.932 3.975 -9.925 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -9.741 3.237 -7.634 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -11.135 3.294 -10.091 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -10.937 2.563 -7.800 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -11.621 2.594 -9.021 1.00 0.00 C ATOM 0 H TRP A 581 -4.747 3.239 -8.380 1.00 0.00 H new ATOM 0 HA TRP A 581 -5.556 5.874 -9.311 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -6.967 4.220 -7.154 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -7.224 5.942 -7.351 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -7.351 5.851 -10.643 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -9.489 4.934 -11.775 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -9.219 3.205 -6.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -11.666 3.318 -11.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -11.350 2.003 -6.974 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -12.551 2.054 -9.120 1.00 0.00 H new ATOM 1947 N LYS A 582 -4.328 4.914 -6.393 1.00 0.00 N ATOM 1948 CA LYS A 582 -3.546 5.399 -5.270 1.00 0.00 C ATOM 1949 C LYS A 582 -2.508 4.429 -4.757 1.00 0.00 C ATOM 1950 O LYS A 582 -2.574 3.219 -4.988 1.00 0.00 O ATOM 1951 CB LYS A 582 -4.480 5.791 -4.126 1.00 0.00 C ATOM 1952 CG LYS A 582 -5.498 4.719 -3.775 1.00 0.00 C ATOM 1953 CD LYS A 582 -6.835 5.326 -3.380 1.00 0.00 C ATOM 1954 CE LYS A 582 -6.705 6.209 -2.150 1.00 0.00 C ATOM 1955 NZ LYS A 582 -7.545 7.434 -2.253 1.00 0.00 N ATOM 0 H LYS A 582 -4.601 3.933 -6.336 1.00 0.00 H new ATOM 0 HA LYS A 582 -2.993 6.259 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -3.883 6.016 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -5.007 6.706 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -5.637 4.055 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -5.118 4.110 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -7.229 5.913 -4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -7.553 4.530 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -6.996 5.643 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -5.662 6.495 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -7.428 8.009 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -7.251 7.988 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -8.544 7.163 -2.354 1.00 0.00 H new ATOM 1969 N MET A 583 -1.610 4.972 -3.960 1.00 0.00 N ATOM 1970 CA MET A 583 -0.612 4.203 -3.271 1.00 0.00 C ATOM 1971 C MET A 583 -0.952 4.284 -1.797 1.00 0.00 C ATOM 1972 O MET A 583 -1.253 5.357 -1.270 1.00 0.00 O ATOM 1973 CB MET A 583 0.801 4.756 -3.525 1.00 0.00 C ATOM 1974 CG MET A 583 1.627 4.966 -2.255 1.00 0.00 C ATOM 1975 SD MET A 583 3.261 5.650 -2.592 1.00 0.00 S ATOM 1976 CE MET A 583 2.885 7.400 -2.670 1.00 0.00 C ATOM 0 H MET A 583 -1.558 5.974 -3.775 1.00 0.00 H new ATOM 0 HA MET A 583 -0.611 3.173 -3.627 1.00 0.00 H new ATOM 0 HB2 MET A 583 1.335 4.071 -4.184 1.00 0.00 H new ATOM 0 HB3 MET A 583 0.718 5.706 -4.053 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.089 5.635 -1.583 1.00 0.00 H new ATOM 0 HG3 MET A 583 1.736 4.014 -1.736 1.00 0.00 H new ATOM 0 HE1 MET A 583 3.798 7.960 -2.873 1.00 0.00 H new ATOM 0 HE2 MET A 583 2.163 7.582 -3.466 1.00 0.00 H new ATOM 0 HE3 MET A 583 2.464 7.725 -1.718 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.894 3.158 -1.142 1.00 0.00 N ATOM 1987 CA LYS A 584 -1.180 3.082 0.270 1.00 0.00 C ATOM 1988 C LYS A 584 0.067 2.626 0.990 1.00 0.00 C ATOM 1989 O LYS A 584 0.718 1.667 0.583 1.00 0.00 O ATOM 1990 CB LYS A 584 -2.333 2.091 0.480 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.383 1.430 1.848 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.407 2.461 2.958 1.00 0.00 C ATOM 1993 CE LYS A 584 -3.816 2.939 3.225 1.00 0.00 C ATOM 1994 NZ LYS A 584 -3.835 4.310 3.801 1.00 0.00 N ATOM 0 H LYS A 584 -0.647 2.265 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 584 -1.476 4.053 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -3.274 2.614 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -2.263 1.312 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -3.269 0.798 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -1.517 0.780 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -1.987 2.031 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -1.778 3.308 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -4.386 2.927 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -4.310 2.250 3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -4.818 4.595 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -3.298 4.320 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -3.402 4.975 3.129 1.00 0.00 H new ATOM 2008 N LEU A 585 0.382 3.293 2.073 1.00 0.00 N ATOM 2009 CA LEU A 585 1.532 2.940 2.864 1.00 0.00 C ATOM 2010 C LEU A 585 1.062 2.633 4.259 1.00 0.00 C ATOM 2011 O LEU A 585 0.213 3.336 4.807 1.00 0.00 O ATOM 2012 CB LEU A 585 2.549 4.077 2.871 1.00 0.00 C ATOM 2013 CG LEU A 585 3.983 3.656 3.186 1.00 0.00 C ATOM 2014 CD1 LEU A 585 4.972 4.638 2.577 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.201 3.543 4.688 1.00 0.00 C ATOM 0 H LEU A 585 -0.147 4.089 2.428 1.00 0.00 H new ATOM 0 HA LEU A 585 2.026 2.066 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 585 2.535 4.564 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.235 4.821 3.603 1.00 0.00 H new ATOM 0 HG LEU A 585 4.152 2.674 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 585 5.989 4.323 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 585 4.840 4.664 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 585 4.797 5.632 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.230 3.242 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 585 4.009 4.508 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 585 3.520 2.798 5.099 1.00 0.00 H new ATOM 2027 N VAL A 586 1.578 1.569 4.819 1.00 0.00 N ATOM 2028 CA VAL A 586 1.167 1.161 6.135 1.00 0.00 C ATOM 2029 C VAL A 586 2.351 0.823 7.028 1.00 0.00 C ATOM 2030 O VAL A 586 3.276 0.125 6.614 1.00 0.00 O ATOM 2031 CB VAL A 586 0.225 -0.060 6.026 1.00 0.00 C ATOM 2032 CG1 VAL A 586 0.106 -0.803 7.351 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.146 0.378 5.532 1.00 0.00 C ATOM 0 H VAL A 586 2.282 0.972 4.385 1.00 0.00 H new ATOM 0 HA VAL A 586 0.643 1.999 6.594 1.00 0.00 H new ATOM 0 HB VAL A 586 0.659 -0.752 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -0.565 -1.654 7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 586 1.090 -1.157 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.292 -0.131 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.801 -0.490 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.572 1.097 6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -1.048 0.842 4.551 1.00 0.00 H new ATOM 2043 N SER A 587 2.289 1.277 8.271 1.00 0.00 N ATOM 2044 CA SER A 587 3.330 0.964 9.241 1.00 0.00 C ATOM 2045 C SER A 587 2.720 0.010 10.259 1.00 0.00 C ATOM 2046 O SER A 587 1.584 0.218 10.690 1.00 0.00 O ATOM 2047 CB SER A 587 3.828 2.235 9.933 1.00 0.00 C ATOM 2048 OG SER A 587 4.417 3.126 9.000 1.00 0.00 O ATOM 0 H SER A 587 1.534 1.860 8.631 1.00 0.00 H new ATOM 0 HA SER A 587 4.188 0.509 8.747 1.00 0.00 H new ATOM 0 HB2 SER A 587 2.997 2.728 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 587 4.556 1.974 10.701 1.00 0.00 H new ATOM 0 HG SER A 587 4.726 3.931 9.466 1.00 0.00 H new ATOM 2054 N ILE A 588 3.427 -1.052 10.621 1.00 0.00 N ATOM 2055 CA ILE A 588 2.868 -2.015 11.554 1.00 0.00 C ATOM 2056 C ILE A 588 3.822 -2.441 12.650 1.00 0.00 C ATOM 2057 O ILE A 588 5.015 -2.648 12.428 1.00 0.00 O ATOM 2058 CB ILE A 588 2.355 -3.268 10.825 1.00 0.00 C ATOM 2059 CG1 ILE A 588 3.320 -3.674 9.717 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.960 -3.035 10.264 1.00 0.00 C ATOM 2061 CD1 ILE A 588 3.279 -2.761 8.510 1.00 0.00 C ATOM 0 H ILE A 588 4.368 -1.264 10.290 1.00 0.00 H new ATOM 0 HA ILE A 588 2.041 -1.489 12.031 1.00 0.00 H new ATOM 0 HB ILE A 588 2.297 -4.083 11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 588 4.334 -3.688 10.117 1.00 0.00 H new ATOM 0 HG13 ILE A 588 3.089 -4.691 9.400 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.618 -3.935 9.753 1.00 0.00 H new ATOM 0 HG22 ILE A 588 0.275 -2.798 11.078 1.00 0.00 H new ATOM 0 HG23 ILE A 588 0.986 -2.205 9.558 1.00 0.00 H new ATOM 0 HD11 ILE A 588 3.992 -3.112 7.764 1.00 0.00 H new ATOM 0 HD12 ILE A 588 2.276 -2.766 8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 588 3.540 -1.747 8.812 1.00 0.00 H new ATOM 2073 N VAL A 589 3.251 -2.605 13.831 1.00 0.00 N ATOM 2074 CA VAL A 589 3.992 -3.053 14.998 1.00 0.00 C ATOM 2075 C VAL A 589 3.231 -4.155 15.719 1.00 0.00 C ATOM 2076 O VAL A 589 2.016 -4.071 15.896 1.00 0.00 O ATOM 2077 CB VAL A 589 4.268 -1.898 15.979 1.00 0.00 C ATOM 2078 CG1 VAL A 589 5.371 -0.996 15.445 1.00 0.00 C ATOM 2079 CG2 VAL A 589 2.997 -1.103 16.238 1.00 0.00 C ATOM 0 H VAL A 589 2.262 -2.432 14.008 1.00 0.00 H new ATOM 0 HA VAL A 589 4.949 -3.437 14.644 1.00 0.00 H new ATOM 0 HB VAL A 589 4.604 -2.321 16.926 1.00 0.00 H new ATOM 0 HG11 VAL A 589 5.552 -0.186 16.151 1.00 0.00 H new ATOM 0 HG12 VAL A 589 6.285 -1.576 15.316 1.00 0.00 H new ATOM 0 HG13 VAL A 589 5.067 -0.579 14.485 1.00 0.00 H new ATOM 0 HG21 VAL A 589 3.211 -0.291 16.933 1.00 0.00 H new ATOM 0 HG22 VAL A 589 2.629 -0.689 15.299 1.00 0.00 H new ATOM 0 HG23 VAL A 589 2.239 -1.758 16.667 1.00 0.00 H new ATOM 2089 N SER A 590 3.952 -5.187 16.135 1.00 0.00 N ATOM 2090 CA SER A 590 3.342 -6.302 16.838 1.00 0.00 C ATOM 2091 C SER A 590 3.169 -5.970 18.312 1.00 0.00 C ATOM 2092 O SER A 590 4.131 -5.611 18.992 1.00 0.00 O ATOM 2093 CB SER A 590 4.194 -7.563 16.682 1.00 0.00 C ATOM 2094 OG SER A 590 3.382 -8.723 16.615 1.00 0.00 O ATOM 0 H SER A 590 4.959 -5.273 15.997 1.00 0.00 H new ATOM 0 HA SER A 590 2.360 -6.486 16.402 1.00 0.00 H new ATOM 0 HB2 SER A 590 4.800 -7.487 15.779 1.00 0.00 H new ATOM 0 HB3 SER A 590 4.883 -7.646 17.522 1.00 0.00 H new ATOM 0 HG SER A 590 3.950 -9.515 16.514 1.00 0.00 H new