USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=25 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 501 TYR OH : rot 180:sc= 0 USER MOD Single : A 494 THR OG1 : rot 34:sc= 0.118 USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 504 THR OG1 : rot 92:sc= -4.87! USER MOD Single : A 506 SER OG : rot -17:sc= 0.764 USER MOD Single : A 507 LYS NZ :NH3+ -111:sc= -10.1! (180deg=-15.1!) USER MOD Single : A 511 SER OG : rot 100:sc= 1.39 USER MOD Single : A 517 SER OG : rot 180:sc= -3.05! USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 SER OG : rot 180:sc= 0.0695 USER MOD Single : A 522 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.075) USER MOD Single : A 526 ASN :FLIP amide:sc= -0.0304 F(o=-0.7,f=-0.03) USER MOD Single : A 527 ASN : amide:sc= -4.87! C(o=-4.9!,f=-4.6!) USER MOD Single : A 528 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.33) USER MOD Single : A 531 TYR OH : rot -23:sc=0.000791 USER MOD Single : A 534 SER OG : rot -134:sc= -2.1! USER MOD Single : A 552 THR OG1 : rot -95:sc= -3.98! USER MOD Single : A 554 THR OG1 : rot 32:sc= -3.1! 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= 0.599 K(o=0.6,f=-7.3!) USER MOD Single : A 562 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 563 LYS NZ :NH3+ 141:sc= 0.14 (180deg=-0.00109) USER MOD Single : A 564 THR OG1 : rot -132:sc= -0.769 USER MOD Single : A 565 GLN :FLIP amide:sc= -1.59 F(o=-4.2!,f=-1.6) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 LYS NZ :NH3+ -107:sc= -2.65 (180deg=-7.59!) USER MOD Single : A 582 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00225) USER MOD Single : A 583 MET CE :methyl 165:sc= -3.54 (180deg=-3.8!) USER MOD Single : A 584 LYS NZ :NH3+ -123:sc= -11.4! (180deg=-16.1!) USER MOD Single : A 587 SER OG : rot -43:sc= 1.16 USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -0.895 8.643 1.156 1.00 0.00 N ATOM 524 CA ALA A 491 -1.654 8.047 2.256 1.00 0.00 C ATOM 525 C ALA A 491 -0.778 7.247 3.217 1.00 0.00 C ATOM 526 O ALA A 491 0.036 6.430 2.783 1.00 0.00 O ATOM 527 CB ALA A 491 -2.761 7.166 1.704 1.00 0.00 C ATOM 0 HA ALA A 491 -2.083 8.869 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -3.321 6.726 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -3.432 7.767 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -2.326 6.372 1.097 1.00 0.00 H new ATOM 533 N ARG A 492 -1.002 7.412 4.520 1.00 0.00 N ATOM 534 CA ARG A 492 -0.288 6.626 5.514 1.00 0.00 C ATOM 535 C ARG A 492 -1.267 6.158 6.584 1.00 0.00 C ATOM 536 O ARG A 492 -2.049 6.948 7.114 1.00 0.00 O ATOM 537 CB ARG A 492 0.845 7.438 6.144 1.00 0.00 C ATOM 538 CG ARG A 492 1.615 6.675 7.210 1.00 0.00 C ATOM 539 CD ARG A 492 2.381 5.497 6.623 1.00 0.00 C ATOM 540 NE ARG A 492 3.744 5.422 7.148 1.00 0.00 N ATOM 541 CZ ARG A 492 4.395 4.285 7.378 1.00 0.00 C ATOM 542 NH1 ARG A 492 3.822 3.115 7.126 1.00 0.00 N ATOM 543 NH2 ARG A 492 5.629 4.317 7.865 1.00 0.00 N ATOM 0 H ARG A 492 -1.669 8.080 4.906 1.00 0.00 H new ATOM 0 HA ARG A 492 0.157 5.759 5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 492 1.536 7.751 5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.431 8.345 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 492 2.312 7.350 7.707 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.922 6.315 7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.853 4.571 6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 492 2.414 5.589 5.537 1.00 0.00 H new ATOM 0 HE ARG A 492 4.226 6.298 7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 492 2.874 3.082 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 492 4.330 2.249 7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 492 6.076 5.212 8.062 1.00 0.00 H new ATOM 0 HH22 ARG A 492 6.130 3.446 8.042 1.00 0.00 H new ATOM 557 N VAL A 493 -1.213 4.882 6.902 1.00 0.00 N ATOM 558 CA VAL A 493 -2.080 4.295 7.909 1.00 0.00 C ATOM 559 C VAL A 493 -1.327 3.293 8.790 1.00 0.00 C ATOM 560 O VAL A 493 -0.264 2.807 8.402 1.00 0.00 O ATOM 561 CB VAL A 493 -3.275 3.605 7.249 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.333 4.627 6.858 1.00 0.00 C ATOM 563 CG2 VAL A 493 -2.804 2.815 6.046 1.00 0.00 C ATOM 0 H VAL A 493 -0.568 4.220 6.471 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.435 5.106 8.545 1.00 0.00 H new ATOM 0 HB VAL A 493 -3.731 2.916 7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.175 4.118 6.390 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -4.677 5.154 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -3.906 5.342 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.656 2.324 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -2.334 3.489 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -2.082 2.063 6.364 1.00 0.00 H new ATOM 573 N THR A 494 -1.898 2.929 9.941 1.00 0.00 N ATOM 574 CA THR A 494 -1.268 1.918 10.793 1.00 0.00 C ATOM 575 C THR A 494 -2.285 0.847 11.201 1.00 0.00 C ATOM 576 O THR A 494 -3.392 1.159 11.640 1.00 0.00 O ATOM 577 CB THR A 494 -0.676 2.577 12.040 1.00 0.00 C ATOM 578 OG1 THR A 494 -1.685 3.225 12.793 1.00 0.00 O ATOM 579 CG2 THR A 494 0.392 3.601 11.725 1.00 0.00 C ATOM 0 H THR A 494 -2.775 3.309 10.298 1.00 0.00 H new ATOM 0 HA THR A 494 -0.468 1.440 10.227 1.00 0.00 H new ATOM 0 HB THR A 494 -0.222 1.765 12.607 1.00 0.00 H new ATOM 0 HG1 THR A 494 -2.522 2.721 12.720 1.00 0.00 H new ATOM 0 HG21 THR A 494 0.770 4.030 12.653 1.00 0.00 H new ATOM 0 HG22 THR A 494 1.210 3.120 11.188 1.00 0.00 H new ATOM 0 HG23 THR A 494 -0.033 4.391 11.106 1.00 0.00 H new ATOM 587 N LEU A 495 -1.882 -0.418 11.069 1.00 0.00 N ATOM 588 CA LEU A 495 -2.725 -1.555 11.436 1.00 0.00 C ATOM 589 C LEU A 495 -1.909 -2.610 12.185 1.00 0.00 C ATOM 590 O LEU A 495 -0.680 -2.602 12.124 1.00 0.00 O ATOM 591 CB LEU A 495 -3.394 -2.160 10.194 1.00 0.00 C ATOM 592 CG LEU A 495 -2.505 -3.058 9.331 1.00 0.00 C ATOM 593 CD1 LEU A 495 -2.473 -4.473 9.888 1.00 0.00 C ATOM 594 CD2 LEU A 495 -2.997 -3.065 7.890 1.00 0.00 C ATOM 0 H LEU A 495 -0.966 -0.682 10.706 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.511 -1.198 12.101 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.260 -2.739 10.516 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.768 -1.346 9.573 1.00 0.00 H new ATOM 0 HG LEU A 495 -1.491 -2.658 9.350 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -1.836 -5.097 9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -2.077 -4.455 10.903 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -3.483 -4.882 9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -2.354 -3.708 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -4.020 -3.441 7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -2.970 -2.051 7.491 1.00 0.00 H new ATOM 606 N PRO A 496 -2.568 -3.547 12.890 1.00 0.00 N ATOM 607 CA PRO A 496 -1.863 -4.608 13.620 1.00 0.00 C ATOM 608 C PRO A 496 -1.079 -5.522 12.672 1.00 0.00 C ATOM 609 O PRO A 496 -1.654 -6.157 11.789 1.00 0.00 O ATOM 610 CB PRO A 496 -2.986 -5.392 14.314 1.00 0.00 C ATOM 611 CG PRO A 496 -4.194 -4.515 14.241 1.00 0.00 C ATOM 612 CD PRO A 496 -4.027 -3.657 13.018 1.00 0.00 C ATOM 0 HA PRO A 496 -1.128 -4.205 14.317 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -3.163 -6.346 13.817 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -2.726 -5.616 15.349 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -5.103 -5.112 14.174 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -4.282 -3.900 15.137 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.476 -4.117 12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -4.496 -2.681 13.142 1.00 0.00 H new ATOM 620 N LYS A 497 0.238 -5.570 12.856 1.00 0.00 N ATOM 621 CA LYS A 497 1.121 -6.381 12.015 1.00 0.00 C ATOM 622 C LYS A 497 0.737 -7.861 11.993 1.00 0.00 C ATOM 623 O LYS A 497 0.997 -8.561 11.015 1.00 0.00 O ATOM 624 CB LYS A 497 2.562 -6.249 12.515 1.00 0.00 C ATOM 625 CG LYS A 497 3.577 -6.974 11.645 1.00 0.00 C ATOM 626 CD LYS A 497 4.828 -7.331 12.431 1.00 0.00 C ATOM 627 CE LYS A 497 4.635 -8.604 13.237 1.00 0.00 C ATOM 628 NZ LYS A 497 5.906 -9.066 13.862 1.00 0.00 N ATOM 0 H LYS A 497 0.723 -5.051 13.588 1.00 0.00 H new ATOM 0 HA LYS A 497 1.021 -6.005 10.997 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.826 -5.192 12.563 1.00 0.00 H new ATOM 0 HB3 LYS A 497 2.622 -6.639 13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 497 3.129 -7.881 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 497 3.846 -6.345 10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 497 5.666 -7.457 11.745 1.00 0.00 H new ATOM 0 HD3 LYS A 497 5.085 -6.510 13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 497 3.890 -8.432 14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 497 4.244 -9.388 12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 5.730 -9.937 14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 6.609 -9.255 13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 6.267 -8.329 14.501 1.00 0.00 H new ATOM 642 N SER A 498 0.166 -8.342 13.086 1.00 0.00 N ATOM 643 CA SER A 498 -0.199 -9.755 13.203 1.00 0.00 C ATOM 644 C SER A 498 -1.124 -10.244 12.082 1.00 0.00 C ATOM 645 O SER A 498 -0.886 -11.302 11.498 1.00 0.00 O ATOM 646 CB SER A 498 -0.864 -10.005 14.559 1.00 0.00 C ATOM 647 OG SER A 498 -1.513 -11.264 14.587 1.00 0.00 O ATOM 0 H SER A 498 -0.057 -7.779 13.907 1.00 0.00 H new ATOM 0 HA SER A 498 0.727 -10.323 13.115 1.00 0.00 H new ATOM 0 HB2 SER A 498 -0.114 -9.962 15.348 1.00 0.00 H new ATOM 0 HB3 SER A 498 -1.587 -9.215 14.763 1.00 0.00 H new ATOM 0 HG SER A 498 -1.928 -11.399 15.465 1.00 0.00 H new ATOM 653 N LEU A 499 -2.184 -9.496 11.797 1.00 0.00 N ATOM 654 CA LEU A 499 -3.144 -9.887 10.760 1.00 0.00 C ATOM 655 C LEU A 499 -2.588 -9.701 9.348 1.00 0.00 C ATOM 656 O LEU A 499 -3.216 -10.108 8.371 1.00 0.00 O ATOM 657 CB LEU A 499 -4.436 -9.089 10.915 1.00 0.00 C ATOM 658 CG LEU A 499 -4.278 -7.577 10.744 1.00 0.00 C ATOM 659 CD1 LEU A 499 -5.028 -7.092 9.512 1.00 0.00 C ATOM 660 CD2 LEU A 499 -4.763 -6.847 11.987 1.00 0.00 C ATOM 0 H LEU A 499 -2.404 -8.617 12.266 1.00 0.00 H new ATOM 0 HA LEU A 499 -3.345 -10.950 10.894 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -5.160 -9.450 10.184 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -4.854 -9.288 11.902 1.00 0.00 H new ATOM 0 HG LEU A 499 -3.219 -7.358 10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -4.902 -6.014 9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.633 -7.589 8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -6.088 -7.325 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -4.643 -5.773 11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -5.815 -7.076 12.156 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -4.179 -7.169 12.849 1.00 0.00 H new ATOM 672 N VAL A 500 -1.427 -9.071 9.243 1.00 0.00 N ATOM 673 CA VAL A 500 -0.805 -8.814 7.950 1.00 0.00 C ATOM 674 C VAL A 500 -0.196 -10.079 7.353 1.00 0.00 C ATOM 675 O VAL A 500 -0.024 -10.195 6.140 1.00 0.00 O ATOM 676 CB VAL A 500 0.279 -7.734 8.069 1.00 0.00 C ATOM 677 CG1 VAL A 500 0.717 -7.271 6.694 1.00 0.00 C ATOM 678 CG2 VAL A 500 -0.220 -6.560 8.898 1.00 0.00 C ATOM 0 H VAL A 500 -0.894 -8.726 10.041 1.00 0.00 H new ATOM 0 HA VAL A 500 -1.593 -8.463 7.284 1.00 0.00 H new ATOM 0 HB VAL A 500 1.141 -8.166 8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 500 1.486 -6.505 6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 500 1.119 -8.117 6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.138 -6.857 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 500 0.564 -5.806 8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.099 -6.126 8.421 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.483 -6.906 9.898 1.00 0.00 H new ATOM 688 N TYR A 501 0.147 -11.007 8.229 1.00 0.00 N ATOM 689 CA TYR A 501 0.766 -12.269 7.849 1.00 0.00 C ATOM 690 C TYR A 501 -0.019 -13.050 6.786 1.00 0.00 C ATOM 691 O TYR A 501 0.560 -13.856 6.063 1.00 0.00 O ATOM 692 CB TYR A 501 0.959 -13.146 9.088 1.00 0.00 C ATOM 693 CG TYR A 501 2.256 -12.882 9.821 1.00 0.00 C ATOM 694 CD1 TYR A 501 2.768 -11.595 9.929 1.00 0.00 C ATOM 695 CD2 TYR A 501 2.967 -13.923 10.406 1.00 0.00 C ATOM 696 CE1 TYR A 501 3.953 -11.352 10.598 1.00 0.00 C ATOM 697 CE2 TYR A 501 4.152 -13.687 11.078 1.00 0.00 C ATOM 698 CZ TYR A 501 4.640 -12.401 11.171 1.00 0.00 C ATOM 699 OH TYR A 501 5.819 -12.163 11.838 1.00 0.00 O ATOM 0 H TYR A 501 0.003 -10.907 9.234 1.00 0.00 H new ATOM 0 HA TYR A 501 1.726 -12.014 7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 501 0.126 -12.983 9.771 1.00 0.00 H new ATOM 0 HB3 TYR A 501 0.927 -14.194 8.790 1.00 0.00 H new ATOM 0 HD1 TYR A 501 2.231 -10.771 9.483 1.00 0.00 H new ATOM 0 HD2 TYR A 501 2.588 -14.932 10.335 1.00 0.00 H new ATOM 0 HE1 TYR A 501 4.339 -10.346 10.671 1.00 0.00 H new ATOM 0 HE2 TYR A 501 4.693 -14.506 11.528 1.00 0.00 H new ATOM 0 HH TYR A 501 6.176 -13.008 12.183 1.00 0.00 H new ATOM 709 N ASP A 502 -1.341 -12.898 6.757 1.00 0.00 N ATOM 710 CA ASP A 502 -2.169 -13.682 5.829 1.00 0.00 C ATOM 711 C ASP A 502 -2.147 -13.221 4.354 1.00 0.00 C ATOM 712 O ASP A 502 -1.955 -14.051 3.467 1.00 0.00 O ATOM 713 CB ASP A 502 -3.615 -13.691 6.324 1.00 0.00 C ATOM 714 CG ASP A 502 -3.803 -14.576 7.542 1.00 0.00 C ATOM 715 OD1 ASP A 502 -2.895 -14.606 8.399 1.00 0.00 O ATOM 716 OD2 ASP A 502 -4.857 -15.238 7.637 1.00 0.00 O ATOM 0 H ASP A 502 -1.860 -12.252 7.352 1.00 0.00 H new ATOM 0 HA ASP A 502 -1.725 -14.677 5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.919 -12.673 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -4.268 -14.036 5.523 1.00 0.00 H new ATOM 721 N LYS A 503 -2.358 -11.929 4.071 1.00 0.00 N ATOM 722 CA LYS A 503 -2.370 -11.453 2.692 1.00 0.00 C ATOM 723 C LYS A 503 -1.293 -10.408 2.442 1.00 0.00 C ATOM 724 O LYS A 503 -1.089 -9.498 3.243 1.00 0.00 O ATOM 725 CB LYS A 503 -3.748 -10.898 2.328 1.00 0.00 C ATOM 726 CG LYS A 503 -4.575 -11.842 1.471 1.00 0.00 C ATOM 727 CD LYS A 503 -4.998 -13.076 2.250 1.00 0.00 C ATOM 728 CE LYS A 503 -5.557 -14.150 1.331 1.00 0.00 C ATOM 729 NZ LYS A 503 -7.043 -14.099 1.254 1.00 0.00 N ATOM 0 H LYS A 503 -2.520 -11.207 4.773 1.00 0.00 H new ATOM 0 HA LYS A 503 -2.152 -12.307 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -4.296 -10.678 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.622 -9.954 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -5.460 -11.321 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -3.997 -12.143 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -4.143 -13.473 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -5.750 -12.801 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -5.138 -14.027 0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -5.246 -15.131 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -7.384 -14.848 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -7.445 -14.242 2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -7.340 -13.172 0.888 1.00 0.00 H new ATOM 743 N THR A 504 -0.598 -10.549 1.332 1.00 0.00 N ATOM 744 CA THR A 504 0.460 -9.609 0.985 1.00 0.00 C ATOM 745 C THR A 504 -0.076 -8.245 0.525 1.00 0.00 C ATOM 746 O THR A 504 -0.029 -7.274 1.270 1.00 0.00 O ATOM 747 CB THR A 504 1.311 -10.206 -0.129 1.00 0.00 C ATOM 748 OG1 THR A 504 1.832 -11.459 0.260 1.00 0.00 O ATOM 749 CG2 THR A 504 2.472 -9.328 -0.542 1.00 0.00 C ATOM 0 H THR A 504 -0.741 -11.299 0.655 1.00 0.00 H new ATOM 0 HA THR A 504 1.048 -9.440 1.887 1.00 0.00 H new ATOM 0 HB THR A 504 0.639 -10.304 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.222 -12.170 -0.027 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.033 -9.817 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.095 -8.370 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.126 -9.164 0.314 1.00 0.00 H new ATOM 757 N PHE A 505 -0.566 -8.186 -0.717 1.00 0.00 N ATOM 758 CA PHE A 505 -1.099 -6.947 -1.292 1.00 0.00 C ATOM 759 C PHE A 505 -2.488 -6.565 -0.773 1.00 0.00 C ATOM 760 O PHE A 505 -2.701 -5.463 -0.271 1.00 0.00 O ATOM 761 CB PHE A 505 -1.097 -7.011 -2.829 1.00 0.00 C ATOM 762 CG PHE A 505 -0.457 -5.809 -3.463 1.00 0.00 C ATOM 763 CD1 PHE A 505 0.919 -5.738 -3.612 1.00 0.00 C ATOM 764 CD2 PHE A 505 -1.230 -4.749 -3.904 1.00 0.00 C ATOM 765 CE1 PHE A 505 1.510 -4.629 -4.189 1.00 0.00 C ATOM 766 CE2 PHE A 505 -0.643 -3.640 -4.482 1.00 0.00 C ATOM 767 CZ PHE A 505 0.727 -3.579 -4.624 1.00 0.00 C ATOM 0 H PHE A 505 -0.605 -8.987 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.426 -6.157 -0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -0.569 -7.909 -3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -2.123 -7.100 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 505 1.536 -6.557 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 505 -2.304 -4.789 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 505 2.583 -4.585 -4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 505 -1.258 -2.820 -4.823 1.00 0.00 H new ATOM 0 HZ PHE A 505 1.186 -2.712 -5.075 1.00 0.00 H new ATOM 777 N SER A 506 -3.439 -7.468 -0.987 1.00 0.00 N ATOM 778 CA SER A 506 -4.841 -7.253 -0.649 1.00 0.00 C ATOM 779 C SER A 506 -5.115 -6.731 0.762 1.00 0.00 C ATOM 780 O SER A 506 -5.559 -5.599 0.929 1.00 0.00 O ATOM 781 CB SER A 506 -5.603 -8.567 -0.836 1.00 0.00 C ATOM 782 OG SER A 506 -7.003 -8.346 -0.863 1.00 0.00 O ATOM 0 H SER A 506 -3.256 -8.380 -1.405 1.00 0.00 H new ATOM 0 HA SER A 506 -5.178 -6.465 -1.323 1.00 0.00 H new ATOM 0 HB2 SER A 506 -5.289 -9.044 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 506 -5.356 -9.253 -0.026 1.00 0.00 H new ATOM 0 HG SER A 506 -7.202 -7.464 -0.484 1.00 0.00 H new ATOM 788 N LYS A 507 -4.928 -7.570 1.766 1.00 0.00 N ATOM 789 CA LYS A 507 -5.274 -7.190 3.135 1.00 0.00 C ATOM 790 C LYS A 507 -4.753 -5.823 3.548 1.00 0.00 C ATOM 791 O LYS A 507 -5.508 -5.018 4.100 1.00 0.00 O ATOM 792 CB LYS A 507 -4.798 -8.239 4.131 1.00 0.00 C ATOM 793 CG LYS A 507 -3.318 -8.572 4.031 1.00 0.00 C ATOM 794 CD LYS A 507 -2.410 -7.651 4.849 1.00 0.00 C ATOM 795 CE LYS A 507 -3.114 -6.999 6.039 1.00 0.00 C ATOM 796 NZ LYS A 507 -3.722 -8.003 6.958 1.00 0.00 N ATOM 0 H LYS A 507 -4.543 -8.510 1.667 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.362 -7.130 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -5.012 -7.888 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -5.375 -9.152 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -3.165 -9.600 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -3.017 -8.525 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -1.557 -8.224 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -2.016 -6.870 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -2.399 -6.390 6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -3.891 -6.326 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -4.759 -7.944 6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -3.413 -8.957 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -3.419 -7.809 7.934 1.00 0.00 H new ATOM 810 N VAL A 508 -3.486 -5.556 3.315 1.00 0.00 N ATOM 811 CA VAL A 508 -2.918 -4.275 3.718 1.00 0.00 C ATOM 812 C VAL A 508 -3.552 -3.112 2.972 1.00 0.00 C ATOM 813 O VAL A 508 -3.946 -2.122 3.590 1.00 0.00 O ATOM 814 CB VAL A 508 -1.379 -4.236 3.550 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.930 -5.091 2.383 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.865 -2.813 3.389 1.00 0.00 C ATOM 0 H VAL A 508 -2.834 -6.193 2.857 1.00 0.00 H new ATOM 0 HA VAL A 508 -3.145 -4.168 4.779 1.00 0.00 H new ATOM 0 HB VAL A 508 -0.951 -4.647 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.155 -5.042 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -1.234 -6.124 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -1.388 -4.723 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.219 -2.828 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -1.317 -2.360 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -1.128 -2.229 4.271 1.00 0.00 H new ATOM 826 N LEU A 509 -3.632 -3.210 1.660 1.00 0.00 N ATOM 827 CA LEU A 509 -4.184 -2.130 0.857 1.00 0.00 C ATOM 828 C LEU A 509 -5.606 -1.705 1.254 1.00 0.00 C ATOM 829 O LEU A 509 -5.827 -0.543 1.600 1.00 0.00 O ATOM 830 CB LEU A 509 -4.111 -2.483 -0.637 1.00 0.00 C ATOM 831 CG LEU A 509 -5.253 -3.336 -1.187 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.440 -2.460 -1.551 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.785 -4.133 -2.392 1.00 0.00 C ATOM 0 H LEU A 509 -3.324 -4.022 1.126 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.560 -1.260 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.072 -1.554 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.173 -3.008 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.568 -4.037 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -7.245 -3.082 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.788 -1.931 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -6.140 -1.737 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.610 -4.736 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.446 -3.450 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.963 -4.786 -2.099 1.00 0.00 H new ATOM 845 N TRP A 510 -6.574 -2.606 1.149 1.00 0.00 N ATOM 846 CA TRP A 510 -7.965 -2.263 1.443 1.00 0.00 C ATOM 847 C TRP A 510 -8.277 -2.080 2.923 1.00 0.00 C ATOM 848 O TRP A 510 -8.922 -1.115 3.328 1.00 0.00 O ATOM 849 CB TRP A 510 -8.907 -3.320 0.853 1.00 0.00 C ATOM 850 CG TRP A 510 -8.639 -4.709 1.340 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.881 -5.657 0.721 1.00 0.00 C ATOM 852 CD2 TRP A 510 -9.141 -5.311 2.541 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.867 -6.810 1.470 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.634 -6.623 2.590 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.963 -4.867 3.580 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -8.925 -7.495 3.637 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -10.250 -5.734 4.618 1.00 0.00 C ATOM 858 CH2 TRP A 510 -9.731 -7.034 4.640 1.00 0.00 C ATOM 0 H TRP A 510 -6.427 -3.574 0.865 1.00 0.00 H new ATOM 0 HA TRP A 510 -8.125 -1.291 0.976 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.935 -3.052 1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.821 -3.303 -0.233 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.367 -5.523 -0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.367 -7.666 1.231 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -10.367 -3.865 3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.528 -8.499 3.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -10.886 -5.403 5.426 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -9.972 -7.686 5.466 1.00 0.00 H new ATOM 869 N SER A 511 -7.866 -3.042 3.708 1.00 0.00 N ATOM 870 CA SER A 511 -8.146 -3.055 5.129 1.00 0.00 C ATOM 871 C SER A 511 -7.514 -1.900 5.873 1.00 0.00 C ATOM 872 O SER A 511 -8.130 -1.294 6.750 1.00 0.00 O ATOM 873 CB SER A 511 -7.676 -4.375 5.740 1.00 0.00 C ATOM 874 OG SER A 511 -8.558 -4.807 6.761 1.00 0.00 O ATOM 0 H SER A 511 -7.325 -3.844 3.383 1.00 0.00 H new ATOM 0 HA SER A 511 -9.226 -2.948 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.613 -5.137 4.963 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.673 -4.253 6.149 1.00 0.00 H new ATOM 0 HG SER A 511 -9.156 -5.497 6.406 1.00 0.00 H new ATOM 880 N ALA A 512 -6.249 -1.681 5.603 1.00 0.00 N ATOM 881 CA ALA A 512 -5.484 -0.696 6.328 1.00 0.00 C ATOM 882 C ALA A 512 -5.796 0.769 6.078 1.00 0.00 C ATOM 883 O ALA A 512 -6.288 1.455 6.976 1.00 0.00 O ATOM 884 CB ALA A 512 -4.004 -0.938 6.086 1.00 0.00 C ATOM 0 H ALA A 512 -5.725 -2.176 4.881 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.783 -0.850 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -3.420 -0.197 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.737 -1.936 6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.791 -0.855 5.020 1.00 0.00 H new ATOM 890 N GLY A 513 -5.393 1.284 4.930 1.00 0.00 N ATOM 891 CA GLY A 513 -5.537 2.715 4.721 1.00 0.00 C ATOM 892 C GLY A 513 -6.457 3.245 3.663 1.00 0.00 C ATOM 893 O GLY A 513 -6.935 4.375 3.792 1.00 0.00 O ATOM 0 H GLY A 513 -4.981 0.761 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.856 3.147 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -4.543 3.110 4.509 1.00 0.00 H new ATOM 897 N LEU A 514 -6.576 2.562 2.543 1.00 0.00 N ATOM 898 CA LEU A 514 -7.291 3.179 1.438 1.00 0.00 C ATOM 899 C LEU A 514 -8.706 2.738 1.140 1.00 0.00 C ATOM 900 O LEU A 514 -9.536 3.604 0.855 1.00 0.00 O ATOM 901 CB LEU A 514 -6.455 3.002 0.167 1.00 0.00 C ATOM 902 CG LEU A 514 -5.490 4.147 -0.176 1.00 0.00 C ATOM 903 CD1 LEU A 514 -6.053 5.001 -1.300 1.00 0.00 C ATOM 904 CD2 LEU A 514 -5.181 5.010 1.042 1.00 0.00 C ATOM 0 H LEU A 514 -6.209 1.626 2.373 1.00 0.00 H new ATOM 0 HA LEU A 514 -7.417 4.210 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -5.876 2.083 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -7.135 2.864 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 514 -4.554 3.697 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -5.356 5.807 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -6.199 4.385 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -7.009 5.425 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -4.495 5.808 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -6.105 5.444 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -4.721 4.396 1.816 1.00 0.00 H new ATOM 916 N VAL A 515 -9.011 1.454 1.063 1.00 0.00 N ATOM 917 CA VAL A 515 -10.358 1.155 0.621 1.00 0.00 C ATOM 918 C VAL A 515 -10.959 -0.201 1.032 1.00 0.00 C ATOM 919 O VAL A 515 -10.291 -1.090 1.530 1.00 0.00 O ATOM 920 CB VAL A 515 -10.372 1.374 -0.918 1.00 0.00 C ATOM 921 CG1 VAL A 515 -9.184 0.679 -1.564 1.00 0.00 C ATOM 922 CG2 VAL A 515 -11.680 0.966 -1.586 1.00 0.00 C ATOM 0 H VAL A 515 -8.404 0.664 1.280 1.00 0.00 H new ATOM 0 HA VAL A 515 -11.030 1.831 1.150 1.00 0.00 H new ATOM 0 HB VAL A 515 -10.288 2.449 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -9.209 0.842 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -8.259 1.086 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -9.232 -0.390 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -11.613 1.148 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.864 -0.094 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -12.500 1.551 -1.169 1.00 0.00 H new ATOM 932 N ALA A 516 -12.251 -0.321 0.723 1.00 0.00 N ATOM 933 CA ALA A 516 -13.084 -1.502 0.915 1.00 0.00 C ATOM 934 C ALA A 516 -12.626 -2.611 -0.027 1.00 0.00 C ATOM 935 O ALA A 516 -13.301 -3.624 -0.210 1.00 0.00 O ATOM 936 CB ALA A 516 -14.553 -1.171 0.693 1.00 0.00 C ATOM 0 H ALA A 516 -12.772 0.451 0.308 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.977 -1.847 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -15.155 -2.068 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.864 -0.404 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.694 -0.804 -0.324 1.00 0.00 H new ATOM 942 N SER A 517 -11.549 -2.307 -0.734 1.00 0.00 N ATOM 943 CA SER A 517 -11.001 -3.086 -1.801 1.00 0.00 C ATOM 944 C SER A 517 -10.618 -4.520 -1.455 1.00 0.00 C ATOM 945 O SER A 517 -10.056 -5.197 -2.310 1.00 0.00 O ATOM 946 CB SER A 517 -9.759 -2.352 -2.313 1.00 0.00 C ATOM 947 OG SER A 517 -9.999 -1.729 -3.561 1.00 0.00 O ATOM 0 H SER A 517 -11.013 -1.458 -0.557 1.00 0.00 H new ATOM 0 HA SER A 517 -11.792 -3.183 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 517 -9.453 -1.602 -1.584 1.00 0.00 H new ATOM 0 HB3 SER A 517 -8.933 -3.057 -2.410 1.00 0.00 H new ATOM 0 HG SER A 517 -9.187 -1.268 -3.858 1.00 0.00 H new ATOM 953 N LYS A 518 -10.951 -5.049 -0.284 1.00 0.00 N ATOM 954 CA LYS A 518 -10.633 -6.456 -0.083 1.00 0.00 C ATOM 955 C LYS A 518 -11.084 -7.136 -1.373 1.00 0.00 C ATOM 956 O LYS A 518 -10.320 -7.850 -2.023 1.00 0.00 O ATOM 957 CB LYS A 518 -11.380 -7.032 1.124 1.00 0.00 C ATOM 958 CG LYS A 518 -10.872 -8.396 1.560 1.00 0.00 C ATOM 959 CD LYS A 518 -11.571 -9.518 0.810 1.00 0.00 C ATOM 960 CE LYS A 518 -13.065 -9.532 1.094 1.00 0.00 C ATOM 961 NZ LYS A 518 -13.615 -10.916 1.107 1.00 0.00 N ATOM 0 H LYS A 518 -11.408 -4.567 0.490 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.574 -6.609 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -11.293 -6.337 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -12.440 -7.109 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -9.797 -8.457 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -11.031 -8.519 2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -11.404 -9.400 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -11.136 -10.475 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -13.256 -9.056 2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -13.584 -8.942 0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -14.636 -10.882 1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -13.456 -11.362 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -13.138 -11.472 1.845 1.00 0.00 H new ATOM 975 N SER A 519 -12.296 -6.781 -1.792 1.00 0.00 N ATOM 976 CA SER A 519 -12.837 -7.212 -3.073 1.00 0.00 C ATOM 977 C SER A 519 -12.172 -6.418 -4.221 1.00 0.00 C ATOM 978 O SER A 519 -11.550 -6.987 -5.131 1.00 0.00 O ATOM 979 CB SER A 519 -14.354 -7.014 -3.108 1.00 0.00 C ATOM 980 OG SER A 519 -14.739 -5.883 -2.345 1.00 0.00 O ATOM 0 H SER A 519 -12.927 -6.188 -1.253 1.00 0.00 H new ATOM 0 HA SER A 519 -12.623 -8.273 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.684 -6.890 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.849 -7.904 -2.720 1.00 0.00 H new ATOM 0 HG SER A 519 -15.712 -5.777 -2.385 1.00 0.00 H new ATOM 986 N GLU A 520 -12.328 -5.078 -4.159 1.00 0.00 N ATOM 987 CA GLU A 520 -11.779 -4.178 -5.174 1.00 0.00 C ATOM 988 C GLU A 520 -10.270 -4.325 -5.301 1.00 0.00 C ATOM 989 O GLU A 520 -9.730 -4.433 -6.402 1.00 0.00 O ATOM 990 CB GLU A 520 -12.154 -2.719 -4.885 1.00 0.00 C ATOM 991 CG GLU A 520 -13.400 -2.256 -5.622 1.00 0.00 C ATOM 992 CD GLU A 520 -13.182 -2.135 -7.117 1.00 0.00 C ATOM 993 OE1 GLU A 520 -13.145 -3.182 -7.798 1.00 0.00 O ATOM 994 OE2 GLU A 520 -13.049 -0.994 -7.608 1.00 0.00 O ATOM 0 H GLU A 520 -12.833 -4.603 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 520 -12.223 -4.464 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -12.309 -2.598 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -11.318 -2.076 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -14.212 -2.958 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -13.715 -1.291 -5.225 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.605 -4.324 -4.163 1.00 0.00 N ATOM 1002 CA GLY A 521 -8.167 -4.453 -4.107 1.00 0.00 C ATOM 1003 C GLY A 521 -7.698 -5.599 -4.941 1.00 0.00 C ATOM 1004 O GLY A 521 -6.873 -5.414 -5.824 1.00 0.00 O ATOM 0 H GLY A 521 -10.050 -4.233 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.702 -3.531 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.852 -4.598 -3.074 1.00 0.00 H new ATOM 1008 N GLN A 522 -8.251 -6.778 -4.697 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.897 -7.950 -5.475 1.00 0.00 C ATOM 1010 C GLN A 522 -7.946 -7.590 -6.956 1.00 0.00 C ATOM 1011 O GLN A 522 -7.014 -7.873 -7.707 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.853 -9.108 -5.177 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.550 -9.826 -3.872 1.00 0.00 C ATOM 1014 CD GLN A 522 -7.717 -11.077 -4.075 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -6.643 -11.224 -3.490 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -8.209 -11.987 -4.908 1.00 0.00 N ATOM 0 H GLN A 522 -8.944 -6.946 -3.968 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.891 -8.271 -5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.873 -8.726 -5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -8.808 -9.826 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -8.022 -9.147 -3.202 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -9.487 -10.093 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -9.103 -11.824 -5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -7.693 -12.849 -5.084 1.00 0.00 H new ATOM 1025 N ARG A 523 -9.031 -6.930 -7.358 1.00 0.00 N ATOM 1026 CA ARG A 523 -9.196 -6.488 -8.741 1.00 0.00 C ATOM 1027 C ARG A 523 -7.957 -5.730 -9.221 1.00 0.00 C ATOM 1028 O ARG A 523 -7.426 -6.013 -10.290 1.00 0.00 O ATOM 1029 CB ARG A 523 -10.433 -5.601 -8.870 1.00 0.00 C ATOM 1030 CG ARG A 523 -11.152 -5.757 -10.198 1.00 0.00 C ATOM 1031 CD ARG A 523 -11.688 -4.427 -10.705 1.00 0.00 C ATOM 1032 NE ARG A 523 -11.448 -4.249 -12.134 1.00 0.00 N ATOM 1033 CZ ARG A 523 -12.181 -4.819 -13.087 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -13.200 -5.608 -12.766 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -11.896 -4.603 -14.364 1.00 0.00 N ATOM 0 H ARG A 523 -9.810 -6.690 -6.744 1.00 0.00 H new ATOM 0 HA ARG A 523 -9.325 -7.371 -9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -11.125 -5.836 -8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -10.138 -4.559 -8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -10.469 -6.179 -10.935 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -11.975 -6.463 -10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -12.758 -4.368 -10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -11.217 -3.613 -10.154 1.00 0.00 H new ATOM 0 HE ARG A 523 -10.672 -3.652 -12.419 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -13.423 -5.779 -11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -13.759 -6.043 -13.500 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -11.114 -3.999 -14.617 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -12.459 -5.041 -15.093 1.00 0.00 H new ATOM 1049 N ILE A 524 -7.496 -4.773 -8.422 1.00 0.00 N ATOM 1050 CA ILE A 524 -6.312 -3.989 -8.764 1.00 0.00 C ATOM 1051 C ILE A 524 -5.128 -4.919 -8.973 1.00 0.00 C ATOM 1052 O ILE A 524 -4.500 -4.932 -10.029 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.960 -2.966 -7.664 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -7.212 -2.223 -7.192 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.917 -1.982 -8.171 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -6.943 -1.249 -6.066 1.00 0.00 C ATOM 0 H ILE A 524 -7.924 -4.521 -7.531 1.00 0.00 H new ATOM 0 HA ILE A 524 -6.534 -3.440 -9.679 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.545 -3.507 -6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -7.644 -1.683 -8.034 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -7.955 -2.950 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -4.679 -1.267 -7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -4.014 -2.523 -8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -5.309 -1.450 -9.038 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -7.873 -0.757 -5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -6.539 -1.787 -5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -6.223 -0.500 -6.397 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.869 -5.729 -7.964 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.806 -6.711 -8.013 1.00 0.00 C ATOM 1070 C ILE A 525 -3.961 -7.505 -9.306 1.00 0.00 C ATOM 1071 O ILE A 525 -3.018 -7.683 -10.076 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.845 -7.689 -6.811 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.610 -7.108 -5.621 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.438 -8.046 -6.383 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -4.085 -5.769 -5.154 1.00 0.00 C ATOM 0 H ILE A 525 -5.391 -5.724 -7.088 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.852 -6.186 -7.970 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.371 -8.585 -7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.660 -7.001 -5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -4.565 -7.815 -4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.478 -8.733 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.915 -8.521 -7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.906 -7.141 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.677 -5.421 -4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -3.043 -5.873 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -4.155 -5.047 -5.967 1.00 0.00 H new ATOM 1087 N ASN A 526 -5.204 -7.929 -9.536 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.587 -8.664 -10.739 1.00 0.00 C ATOM 1089 C ASN A 526 -5.212 -7.835 -11.945 1.00 0.00 C ATOM 1090 O ASN A 526 -4.566 -8.308 -12.882 1.00 0.00 O ATOM 1091 CB ASN A 526 -7.085 -8.929 -10.741 1.00 0.00 C ATOM 1092 CG ASN A 526 -7.492 -9.947 -11.786 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -7.477 -9.529 -13.045 1.00 0.00 O flip ATOM 1094 ND2 ASN A 526 -7.814 -11.091 -11.467 1.00 0.00 N flip ATOM 0 H ASN A 526 -5.976 -7.771 -8.889 1.00 0.00 H new ATOM 0 HA ASN A 526 -5.069 -9.623 -10.765 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.390 -9.283 -9.756 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -7.616 -7.994 -10.922 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -7.810 -11.367 -10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -8.085 -11.763 -12.185 1.00 0.00 H new ATOM 1101 N ASN A 527 -5.585 -6.567 -11.867 1.00 0.00 N ATOM 1102 CA ASN A 527 -5.265 -5.591 -12.894 1.00 0.00 C ATOM 1103 C ASN A 527 -3.786 -5.739 -13.222 1.00 0.00 C ATOM 1104 O ASN A 527 -3.372 -5.650 -14.378 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.619 -4.169 -12.433 1.00 0.00 C ATOM 1106 CG ASN A 527 -4.423 -3.240 -12.345 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -3.770 -2.947 -13.346 1.00 0.00 O ATOM 1108 ND2 ASN A 527 -4.136 -2.776 -11.140 1.00 0.00 N ATOM 0 H ASN A 527 -6.120 -6.186 -11.087 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.856 -5.769 -13.792 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -6.348 -3.744 -13.123 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -6.099 -4.222 -11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -3.344 -2.147 -11.011 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -4.707 -3.047 -10.340 1.00 0.00 H new ATOM 1115 N ASN A 528 -3.000 -5.956 -12.171 1.00 0.00 N ATOM 1116 CA ASN A 528 -1.562 -6.108 -12.297 1.00 0.00 C ATOM 1117 C ASN A 528 -0.888 -4.779 -12.575 1.00 0.00 C ATOM 1118 O ASN A 528 0.056 -4.689 -13.361 1.00 0.00 O ATOM 1119 CB ASN A 528 -1.224 -7.106 -13.408 1.00 0.00 C ATOM 1120 CG ASN A 528 0.007 -7.931 -13.088 1.00 0.00 C ATOM 1121 OD1 ASN A 528 -0.087 -8.999 -12.483 1.00 0.00 O ATOM 1122 ND2 ASN A 528 1.171 -7.439 -13.494 1.00 0.00 N ATOM 0 H ASN A 528 -3.345 -6.030 -11.214 1.00 0.00 H new ATOM 0 HA ASN A 528 -1.186 -6.489 -11.347 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -2.073 -7.771 -13.566 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -1.064 -6.566 -14.341 1.00 0.00 H new ATOM 0 HD21 ASN A 528 2.034 -7.950 -13.308 1.00 0.00 H new ATOM 0 HD22 ASN A 528 1.203 -6.550 -13.993 1.00 0.00 H new ATOM 1129 N GLY A 529 -1.377 -3.747 -11.894 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.806 -2.420 -12.049 1.00 0.00 C ATOM 1131 C GLY A 529 -0.218 -1.879 -10.752 1.00 0.00 C ATOM 1132 O GLY A 529 -0.238 -0.671 -10.515 1.00 0.00 O ATOM 0 H GLY A 529 -2.157 -3.805 -11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 529 -0.028 -2.450 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.576 -1.737 -12.407 1.00 0.00 H new ATOM 1136 N ALA A 530 0.290 -2.775 -9.903 1.00 0.00 N ATOM 1137 CA ALA A 530 0.862 -2.377 -8.619 1.00 0.00 C ATOM 1138 C ALA A 530 2.221 -3.051 -8.343 1.00 0.00 C ATOM 1139 O ALA A 530 2.583 -4.040 -8.974 1.00 0.00 O ATOM 1140 CB ALA A 530 -0.116 -2.701 -7.503 1.00 0.00 C ATOM 0 H ALA A 530 0.316 -3.779 -10.083 1.00 0.00 H new ATOM 0 HA ALA A 530 1.041 -1.303 -8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.312 -2.403 -6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -1.048 -2.160 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -0.315 -3.773 -7.494 1.00 0.00 H new ATOM 1146 N TYR A 531 2.946 -2.507 -7.372 1.00 0.00 N ATOM 1147 CA TYR A 531 4.240 -3.039 -6.937 1.00 0.00 C ATOM 1148 C TYR A 531 4.266 -3.078 -5.404 1.00 0.00 C ATOM 1149 O TYR A 531 3.579 -2.280 -4.760 1.00 0.00 O ATOM 1150 CB TYR A 531 5.396 -2.189 -7.495 1.00 0.00 C ATOM 1151 CG TYR A 531 6.425 -1.748 -6.467 1.00 0.00 C ATOM 1152 CD1 TYR A 531 7.518 -2.550 -6.146 1.00 0.00 C ATOM 1153 CD2 TYR A 531 6.308 -0.519 -5.828 1.00 0.00 C ATOM 1154 CE1 TYR A 531 8.457 -2.132 -5.217 1.00 0.00 C ATOM 1155 CE2 TYR A 531 7.243 -0.102 -4.900 1.00 0.00 C ATOM 1156 CZ TYR A 531 8.313 -0.911 -4.600 1.00 0.00 C ATOM 1157 OH TYR A 531 9.247 -0.497 -3.677 1.00 0.00 O ATOM 0 H TYR A 531 2.653 -1.677 -6.858 1.00 0.00 H new ATOM 0 HA TYR A 531 4.371 -4.050 -7.323 1.00 0.00 H new ATOM 0 HB2 TYR A 531 5.903 -2.759 -8.273 1.00 0.00 H new ATOM 0 HB3 TYR A 531 4.978 -1.302 -7.971 1.00 0.00 H new ATOM 0 HD1 TYR A 531 7.635 -3.510 -6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 531 5.471 0.122 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 531 9.300 -2.763 -4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 531 7.134 0.855 -4.412 1.00 0.00 H new ATOM 0 HH TYR A 531 9.706 -1.278 -3.303 1.00 0.00 H new ATOM 1167 N VAL A 532 5.048 -3.986 -4.804 1.00 0.00 N ATOM 1168 CA VAL A 532 5.099 -4.045 -3.344 1.00 0.00 C ATOM 1169 C VAL A 532 6.528 -3.951 -2.825 1.00 0.00 C ATOM 1170 O VAL A 532 7.455 -4.588 -3.343 1.00 0.00 O ATOM 1171 CB VAL A 532 4.407 -5.321 -2.801 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.420 -6.313 -2.248 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.382 -4.955 -1.738 1.00 0.00 C ATOM 0 H VAL A 532 5.633 -4.666 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 532 4.550 -3.179 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 532 3.894 -5.803 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 532 4.899 -7.195 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 532 6.111 -6.606 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 532 5.976 -5.849 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.904 -5.861 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.879 -4.443 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.627 -4.299 -2.171 1.00 0.00 H new ATOM 1183 N GLY A 533 6.684 -3.137 -1.787 1.00 0.00 N ATOM 1184 CA GLY A 533 7.984 -2.939 -1.192 1.00 0.00 C ATOM 1185 C GLY A 533 7.983 -3.024 0.317 1.00 0.00 C ATOM 1186 O GLY A 533 6.978 -2.749 0.971 1.00 0.00 O ATOM 0 H GLY A 533 5.928 -2.611 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.672 -3.686 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.366 -1.963 -1.491 1.00 0.00 H new ATOM 1190 N SER A 534 9.129 -3.407 0.860 1.00 0.00 N ATOM 1191 CA SER A 534 9.308 -3.523 2.307 1.00 0.00 C ATOM 1192 C SER A 534 10.619 -2.885 2.745 1.00 0.00 C ATOM 1193 O SER A 534 11.627 -3.005 2.053 1.00 0.00 O ATOM 1194 CB SER A 534 9.283 -4.986 2.736 1.00 0.00 C ATOM 1195 OG SER A 534 8.050 -5.303 3.352 1.00 0.00 O ATOM 0 H SER A 534 9.959 -3.646 0.317 1.00 0.00 H new ATOM 0 HA SER A 534 8.483 -2.996 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 534 9.438 -5.628 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 534 10.102 -5.182 3.428 1.00 0.00 H new ATOM 0 HG SER A 534 8.216 -5.807 4.176 1.00 0.00 H new ATOM 1201 N ARG A 535 10.616 -2.219 3.896 1.00 0.00 N ATOM 1202 CA ARG A 535 11.836 -1.592 4.396 1.00 0.00 C ATOM 1203 C ARG A 535 11.786 -1.328 5.900 1.00 0.00 C ATOM 1204 O ARG A 535 11.376 -0.253 6.333 1.00 0.00 O ATOM 1205 CB ARG A 535 12.084 -0.283 3.655 1.00 0.00 C ATOM 1206 CG ARG A 535 13.555 0.095 3.518 1.00 0.00 C ATOM 1207 CD ARG A 535 14.350 -0.215 4.780 1.00 0.00 C ATOM 1208 NE ARG A 535 14.046 0.720 5.861 1.00 0.00 N ATOM 1209 CZ ARG A 535 14.557 1.945 5.947 1.00 0.00 C ATOM 1210 NH1 ARG A 535 15.398 2.389 5.019 1.00 0.00 N ATOM 1211 NH2 ARG A 535 14.228 2.732 6.962 1.00 0.00 N ATOM 0 H ARG A 535 9.797 -2.100 4.492 1.00 0.00 H new ATOM 0 HA ARG A 535 12.654 -2.290 4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 535 11.646 -0.355 2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.562 0.520 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 535 13.990 -0.443 2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 535 13.635 1.158 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 535 14.130 -1.231 5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 535 15.416 -0.176 4.556 1.00 0.00 H new ATOM 0 HE ARG A 535 13.404 0.415 6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 535 15.655 1.789 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 535 15.786 3.329 5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 535 13.583 2.398 7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 535 14.620 3.671 7.027 1.00 0.00 H new ATOM 1401 N ASP A 549 15.030 -8.300 2.350 1.00 0.00 N ATOM 1402 CA ASP A 549 13.761 -7.851 2.885 1.00 0.00 C ATOM 1403 C ASP A 549 13.832 -6.352 3.155 1.00 0.00 C ATOM 1404 O ASP A 549 12.806 -5.683 3.275 1.00 0.00 O ATOM 1405 CB ASP A 549 13.423 -8.605 4.173 1.00 0.00 C ATOM 1406 CG ASP A 549 13.217 -10.088 3.936 1.00 0.00 C ATOM 1407 OD1 ASP A 549 12.373 -10.443 3.087 1.00 0.00 O ATOM 1408 OD2 ASP A 549 13.901 -10.896 4.601 1.00 0.00 O ATOM 0 HA ASP A 549 12.975 -8.053 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 549 14.227 -8.463 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 549 12.520 -8.181 4.613 1.00 0.00 H new ATOM 1413 N ASP A 550 15.061 -5.827 3.229 1.00 0.00 N ATOM 1414 CA ASP A 550 15.272 -4.409 3.462 1.00 0.00 C ATOM 1415 C ASP A 550 14.507 -3.618 2.415 1.00 0.00 C ATOM 1416 O ASP A 550 13.901 -2.592 2.703 1.00 0.00 O ATOM 1417 CB ASP A 550 16.761 -4.067 3.404 1.00 0.00 C ATOM 1418 CG ASP A 550 17.593 -4.951 4.312 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.191 -5.151 5.477 1.00 0.00 O ATOM 1420 OD2 ASP A 550 18.647 -5.443 3.858 1.00 0.00 O ATOM 0 H ASP A 550 15.919 -6.370 3.130 1.00 0.00 H new ATOM 0 HA ASP A 550 14.908 -4.149 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 550 17.115 -4.169 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 550 16.903 -3.024 3.687 1.00 0.00 H new ATOM 1425 N LEU A 551 14.520 -4.144 1.202 1.00 0.00 N ATOM 1426 CA LEU A 551 13.803 -3.549 0.091 1.00 0.00 C ATOM 1427 C LEU A 551 13.006 -4.639 -0.602 1.00 0.00 C ATOM 1428 O LEU A 551 13.498 -5.749 -0.772 1.00 0.00 O ATOM 1429 CB LEU A 551 14.776 -2.904 -0.898 1.00 0.00 C ATOM 1430 CG LEU A 551 14.198 -2.627 -2.291 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.183 -1.494 -2.238 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.311 -2.303 -3.277 1.00 0.00 C ATOM 0 H LEU A 551 15.028 -4.995 0.961 1.00 0.00 H new ATOM 0 HA LEU A 551 13.136 -2.770 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.130 -1.964 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.645 -3.553 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 551 13.687 -3.527 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.786 -1.314 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.368 -1.766 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.667 -0.589 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 551 14.881 -2.109 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.852 -1.420 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 551 15.998 -3.147 -3.341 1.00 0.00 H new ATOM 1444 N THR A 552 11.788 -4.339 -1.009 1.00 0.00 N ATOM 1445 CA THR A 552 10.984 -5.339 -1.687 1.00 0.00 C ATOM 1446 C THR A 552 10.319 -4.789 -2.935 1.00 0.00 C ATOM 1447 O THR A 552 9.908 -3.630 -2.992 1.00 0.00 O ATOM 1448 CB THR A 552 9.941 -5.945 -0.750 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.558 -6.413 0.435 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.193 -7.110 -1.364 1.00 0.00 C ATOM 0 H THR A 552 11.340 -3.431 -0.886 1.00 0.00 H new ATOM 0 HA THR A 552 11.668 -6.129 -1.998 1.00 0.00 H new ATOM 0 HB THR A 552 9.230 -5.145 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 552 10.754 -7.369 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.467 -7.495 -0.647 1.00 0.00 H new ATOM 0 HG22 THR A 552 8.674 -6.776 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 552 9.899 -7.899 -1.625 1.00 0.00 H new ATOM 1458 N PHE A 553 10.181 -5.656 -3.911 1.00 0.00 N ATOM 1459 CA PHE A 553 9.516 -5.334 -5.147 1.00 0.00 C ATOM 1460 C PHE A 553 8.571 -6.467 -5.476 1.00 0.00 C ATOM 1461 O PHE A 553 8.932 -7.626 -5.353 1.00 0.00 O ATOM 1462 CB PHE A 553 10.530 -5.134 -6.277 1.00 0.00 C ATOM 1463 CG PHE A 553 11.095 -3.744 -6.343 1.00 0.00 C ATOM 1464 CD1 PHE A 553 12.165 -3.378 -5.541 1.00 0.00 C ATOM 1465 CD2 PHE A 553 10.558 -2.803 -7.207 1.00 0.00 C ATOM 1466 CE1 PHE A 553 12.688 -2.101 -5.600 1.00 0.00 C ATOM 1467 CE2 PHE A 553 11.076 -1.523 -7.269 1.00 0.00 C ATOM 1468 CZ PHE A 553 12.142 -1.172 -6.465 1.00 0.00 C ATOM 0 H PHE A 553 10.531 -6.613 -3.867 1.00 0.00 H new ATOM 0 HA PHE A 553 8.963 -4.401 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.348 -5.843 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.051 -5.368 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 553 12.595 -4.100 -4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 553 9.725 -3.073 -7.839 1.00 0.00 H new ATOM 0 HE1 PHE A 553 13.523 -1.829 -4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 553 10.647 -0.798 -7.946 1.00 0.00 H new ATOM 0 HZ PHE A 553 12.549 -0.173 -6.512 1.00 0.00 H new ATOM 1478 N THR A 554 7.379 -6.158 -5.906 1.00 0.00 N ATOM 1479 CA THR A 554 6.444 -7.203 -6.262 1.00 0.00 C ATOM 1480 C THR A 554 5.802 -6.875 -7.590 1.00 0.00 C ATOM 1481 O THR A 554 5.454 -5.725 -7.848 1.00 0.00 O ATOM 1482 CB THR A 554 5.412 -7.402 -5.148 1.00 0.00 C ATOM 1483 OG1 THR A 554 5.966 -8.198 -4.112 1.00 0.00 O ATOM 1484 CG2 THR A 554 4.129 -8.074 -5.589 1.00 0.00 C ATOM 0 H THR A 554 7.030 -5.206 -6.019 1.00 0.00 H new ATOM 0 HA THR A 554 6.973 -8.150 -6.373 1.00 0.00 H new ATOM 0 HB THR A 554 5.162 -6.394 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 554 6.929 -8.030 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.458 -8.173 -4.736 1.00 0.00 H new ATOM 0 HG22 THR A 554 3.649 -7.471 -6.360 1.00 0.00 H new ATOM 0 HG23 THR A 554 4.355 -9.062 -5.990 1.00 0.00 H new ATOM 1492 N PRO A 555 5.627 -7.870 -8.458 1.00 0.00 N ATOM 1493 CA PRO A 555 5.014 -7.647 -9.750 1.00 0.00 C ATOM 1494 C PRO A 555 3.495 -7.642 -9.655 1.00 0.00 C ATOM 1495 O PRO A 555 2.805 -7.802 -10.659 1.00 0.00 O ATOM 1496 CB PRO A 555 5.532 -8.819 -10.564 1.00 0.00 C ATOM 1497 CG PRO A 555 5.650 -9.930 -9.576 1.00 0.00 C ATOM 1498 CD PRO A 555 6.005 -9.283 -8.260 1.00 0.00 C ATOM 0 HA PRO A 555 5.259 -6.680 -10.189 1.00 0.00 H new ATOM 0 HB2 PRO A 555 4.847 -9.076 -11.372 1.00 0.00 H new ATOM 0 HB3 PRO A 555 6.494 -8.591 -11.023 1.00 0.00 H new ATOM 0 HG2 PRO A 555 4.714 -10.484 -9.498 1.00 0.00 H new ATOM 0 HG3 PRO A 555 6.417 -10.642 -9.880 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.458 -9.733 -7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.066 -9.387 -8.035 1.00 0.00 H new ATOM 1506 N ILE A 556 2.992 -7.431 -8.432 1.00 0.00 N ATOM 1507 CA ILE A 556 1.566 -7.353 -8.175 1.00 0.00 C ATOM 1508 C ILE A 556 0.816 -8.632 -8.507 1.00 0.00 C ATOM 1509 O ILE A 556 -0.349 -8.593 -8.904 1.00 0.00 O ATOM 1510 CB ILE A 556 0.901 -6.137 -8.813 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.455 -5.865 -8.164 1.00 0.00 C ATOM 1512 CG2 ILE A 556 0.747 -6.330 -10.286 1.00 0.00 C ATOM 1513 CD1 ILE A 556 -0.416 -5.874 -6.652 1.00 0.00 C ATOM 0 H ILE A 556 3.570 -7.311 -7.600 1.00 0.00 H new ATOM 0 HA ILE A 556 1.495 -7.222 -7.095 1.00 0.00 H new ATOM 0 HB ILE A 556 1.543 -5.272 -8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.823 -4.897 -8.504 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.169 -6.615 -8.505 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.271 -5.451 -10.720 1.00 0.00 H new ATOM 0 HG22 ILE A 556 1.728 -6.472 -10.739 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.129 -7.208 -10.475 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -1.414 -5.674 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -0.078 -6.850 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.272 -5.105 -6.301 1.00 0.00 H new ATOM 1525 N LYS A 557 1.469 -9.765 -8.337 1.00 0.00 N ATOM 1526 CA LYS A 557 0.830 -11.035 -8.616 1.00 0.00 C ATOM 1527 C LYS A 557 0.496 -11.613 -7.267 1.00 0.00 C ATOM 1528 O LYS A 557 1.342 -11.681 -6.375 1.00 0.00 O ATOM 1529 CB LYS A 557 1.762 -11.967 -9.396 1.00 0.00 C ATOM 1530 CG LYS A 557 1.039 -12.852 -10.398 1.00 0.00 C ATOM 1531 CD LYS A 557 2.016 -13.659 -11.237 1.00 0.00 C ATOM 1532 CE LYS A 557 1.428 -15.001 -11.641 1.00 0.00 C ATOM 1533 NZ LYS A 557 1.839 -15.396 -13.017 1.00 0.00 N ATOM 0 H LYS A 557 2.433 -9.832 -8.010 1.00 0.00 H new ATOM 0 HA LYS A 557 -0.057 -10.911 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.504 -11.367 -9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.304 -12.598 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.367 -13.528 -9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.421 -12.235 -11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 557 2.283 -13.094 -12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 557 2.936 -13.818 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.748 -15.765 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.340 -14.952 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.417 -16.317 -13.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.512 -14.680 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.876 -15.468 -13.062 1.00 0.00 H new ATOM 1547 N THR A 558 -0.787 -11.876 -7.077 1.00 0.00 N ATOM 1548 CA THR A 558 -1.267 -12.267 -5.776 1.00 0.00 C ATOM 1549 C THR A 558 -0.588 -13.493 -5.198 1.00 0.00 C ATOM 1550 O THR A 558 -0.721 -14.615 -5.686 1.00 0.00 O ATOM 1551 CB THR A 558 -2.778 -12.498 -5.828 1.00 0.00 C ATOM 1552 OG1 THR A 558 -3.264 -12.929 -4.570 1.00 0.00 O ATOM 1553 CG2 THR A 558 -3.190 -13.527 -6.858 1.00 0.00 C ATOM 0 H THR A 558 -1.502 -11.825 -7.803 1.00 0.00 H new ATOM 0 HA THR A 558 -1.019 -11.441 -5.109 1.00 0.00 H new ATOM 0 HB THR A 558 -3.208 -11.536 -6.107 1.00 0.00 H new ATOM 0 HG1 THR A 558 -4.232 -13.070 -4.624 1.00 0.00 H new ATOM 0 HG21 THR A 558 -4.274 -13.643 -6.843 1.00 0.00 H new ATOM 0 HG22 THR A 558 -2.874 -13.198 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 558 -2.720 -14.483 -6.626 1.00 0.00 H new ATOM 1561 N TRP A 559 0.061 -13.224 -4.077 1.00 0.00 N ATOM 1562 CA TRP A 559 0.730 -14.205 -3.246 1.00 0.00 C ATOM 1563 C TRP A 559 0.352 -13.818 -1.825 1.00 0.00 C ATOM 1564 O TRP A 559 0.698 -12.725 -1.381 1.00 0.00 O ATOM 1565 CB TRP A 559 2.247 -14.159 -3.458 1.00 0.00 C ATOM 1566 CG TRP A 559 2.654 -14.047 -4.901 1.00 0.00 C ATOM 1567 CD1 TRP A 559 2.044 -14.621 -5.981 1.00 0.00 C ATOM 1568 CD2 TRP A 559 3.769 -13.312 -5.421 1.00 0.00 C ATOM 1569 NE1 TRP A 559 2.711 -14.290 -7.134 1.00 0.00 N ATOM 1570 CE2 TRP A 559 3.771 -13.486 -6.818 1.00 0.00 C ATOM 1571 CE3 TRP A 559 4.762 -12.523 -4.841 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 4.731 -12.901 -7.640 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 5.712 -11.942 -5.657 1.00 0.00 C ATOM 1574 CH2 TRP A 559 5.691 -12.134 -7.043 1.00 0.00 C ATOM 0 H TRP A 559 0.138 -12.276 -3.708 1.00 0.00 H new ATOM 0 HA TRP A 559 0.433 -15.227 -3.483 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.656 -13.312 -2.908 1.00 0.00 H new ATOM 0 HB3 TRP A 559 2.691 -15.059 -3.033 1.00 0.00 H new ATOM 0 HD1 TRP A 559 1.164 -15.245 -5.934 1.00 0.00 H new ATOM 0 HE1 TRP A 559 2.457 -14.594 -8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 559 4.787 -12.369 -3.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 4.717 -13.048 -8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 6.485 -11.329 -5.218 1.00 0.00 H new ATOM 0 HH2 TRP A 559 6.449 -11.666 -7.653 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.435 -14.634 -1.145 1.00 0.00 N ATOM 1586 CA ASN A 560 -0.914 -14.233 0.177 1.00 0.00 C ATOM 1587 C ASN A 560 0.073 -14.444 1.322 1.00 0.00 C ATOM 1588 O ASN A 560 0.618 -13.483 1.855 1.00 0.00 O ATOM 1589 CB ASN A 560 -2.221 -14.962 0.506 1.00 0.00 C ATOM 1590 CG ASN A 560 -2.271 -16.380 -0.036 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -1.304 -17.133 0.075 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -3.403 -16.749 -0.623 1.00 0.00 N ATOM 0 H ASN A 560 -0.750 -15.549 -1.467 1.00 0.00 H new ATOM 0 HA ASN A 560 -1.061 -13.155 0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -2.351 -14.989 1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -3.058 -14.395 0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -3.496 -17.690 -1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -4.179 -16.091 -0.693 1.00 0.00 H new ATOM 1599 N ALA A 561 0.252 -15.682 1.739 1.00 0.00 N ATOM 1600 CA ALA A 561 1.119 -15.980 2.872 1.00 0.00 C ATOM 1601 C ALA A 561 2.612 -15.845 2.599 1.00 0.00 C ATOM 1602 O ALA A 561 3.299 -15.063 3.253 1.00 0.00 O ATOM 1603 CB ALA A 561 0.795 -17.351 3.417 1.00 0.00 C ATOM 0 H ALA A 561 -0.188 -16.499 1.315 1.00 0.00 H new ATOM 0 HA ALA A 561 0.906 -15.212 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.446 -17.569 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -0.245 -17.377 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 561 0.950 -18.098 2.638 1.00 0.00 H new ATOM 1609 N SER A 562 3.124 -16.641 1.680 1.00 0.00 N ATOM 1610 CA SER A 562 4.551 -16.637 1.382 1.00 0.00 C ATOM 1611 C SER A 562 5.104 -15.233 1.157 1.00 0.00 C ATOM 1612 O SER A 562 6.125 -14.855 1.742 1.00 0.00 O ATOM 1613 CB SER A 562 4.835 -17.505 0.156 1.00 0.00 C ATOM 1614 OG SER A 562 4.162 -17.007 -0.989 1.00 0.00 O ATOM 0 H SER A 562 2.577 -17.299 1.125 1.00 0.00 H new ATOM 0 HA SER A 562 5.056 -17.047 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 562 5.908 -17.533 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 562 4.518 -18.530 0.351 1.00 0.00 H new ATOM 0 HG SER A 562 4.361 -17.578 -1.760 1.00 0.00 H new ATOM 1620 N LYS A 563 4.447 -14.470 0.302 1.00 0.00 N ATOM 1621 CA LYS A 563 4.912 -13.124 -0.009 1.00 0.00 C ATOM 1622 C LYS A 563 4.718 -12.153 1.148 1.00 0.00 C ATOM 1623 O LYS A 563 5.634 -11.413 1.500 1.00 0.00 O ATOM 1624 CB LYS A 563 4.218 -12.592 -1.258 1.00 0.00 C ATOM 1625 CG LYS A 563 4.674 -11.197 -1.648 1.00 0.00 C ATOM 1626 CD LYS A 563 6.123 -11.192 -2.111 1.00 0.00 C ATOM 1627 CE LYS A 563 7.063 -10.760 -0.996 1.00 0.00 C ATOM 1628 NZ LYS A 563 8.452 -10.548 -1.491 1.00 0.00 N ATOM 0 H LYS A 563 3.598 -14.753 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 563 5.984 -13.199 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 563 4.405 -13.274 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 563 3.141 -12.582 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 563 4.036 -10.814 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 563 4.561 -10.525 -0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 563 6.399 -12.188 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 563 6.232 -10.519 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 563 6.693 -9.838 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 563 7.069 -11.517 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 8.865 -9.718 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 9.028 -11.388 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 8.434 -10.390 -2.519 1.00 0.00 H new ATOM 1642 N THR A 564 3.523 -12.133 1.719 1.00 0.00 N ATOM 1643 CA THR A 564 3.223 -11.216 2.811 1.00 0.00 C ATOM 1644 C THR A 564 4.236 -11.354 3.948 1.00 0.00 C ATOM 1645 O THR A 564 5.009 -10.438 4.206 1.00 0.00 O ATOM 1646 CB THR A 564 1.774 -11.395 3.283 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.306 -10.227 3.937 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.542 -12.554 4.215 1.00 0.00 C ATOM 0 H THR A 564 2.748 -12.738 1.447 1.00 0.00 H new ATOM 0 HA THR A 564 3.316 -10.194 2.442 1.00 0.00 H new ATOM 0 HB THR A 564 1.226 -11.598 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 564 0.870 -10.476 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.488 -12.594 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 564 1.823 -13.482 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.147 -12.426 5.113 1.00 0.00 H new ATOM 1656 N GLN A 565 4.266 -12.502 4.601 1.00 0.00 N ATOM 1657 CA GLN A 565 5.209 -12.736 5.684 1.00 0.00 C ATOM 1658 C GLN A 565 6.631 -12.348 5.278 1.00 0.00 C ATOM 1659 O GLN A 565 7.336 -11.678 6.027 1.00 0.00 O ATOM 1660 CB GLN A 565 5.170 -14.202 6.121 1.00 0.00 C ATOM 1661 CG GLN A 565 5.175 -14.384 7.632 1.00 0.00 C ATOM 1662 CD GLN A 565 6.265 -13.579 8.316 1.00 0.00 C ATOM 1663 OE1 GLN A 565 5.960 -12.328 8.646 1.00 0.00 O flip ATOM 1664 NE2 GLN A 565 7.368 -14.076 8.545 1.00 0.00 N flip ATOM 0 H GLN A 565 3.648 -13.289 4.401 1.00 0.00 H new ATOM 0 HA GLN A 565 4.912 -12.107 6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.277 -14.672 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 565 6.029 -14.722 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 565 4.205 -14.088 8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 565 5.308 -15.440 7.866 1.00 0.00 H new ATOM 0 HE21 GLN A 565 7.559 -15.041 8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 565 8.091 -13.523 9.005 1.00 0.00 H new ATOM 1673 N GLU A 566 7.055 -12.791 4.097 1.00 0.00 N ATOM 1674 CA GLU A 566 8.402 -12.506 3.608 1.00 0.00 C ATOM 1675 C GLU A 566 8.754 -11.022 3.711 1.00 0.00 C ATOM 1676 O GLU A 566 9.653 -10.639 4.460 1.00 0.00 O ATOM 1677 CB GLU A 566 8.542 -12.974 2.155 1.00 0.00 C ATOM 1678 CG GLU A 566 9.785 -12.441 1.451 1.00 0.00 C ATOM 1679 CD GLU A 566 10.243 -13.339 0.319 1.00 0.00 C ATOM 1680 OE1 GLU A 566 10.297 -14.570 0.523 1.00 0.00 O ATOM 1681 OE2 GLU A 566 10.548 -12.811 -0.771 1.00 0.00 O ATOM 0 H GLU A 566 6.485 -13.349 3.461 1.00 0.00 H new ATOM 0 HA GLU A 566 9.100 -13.053 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.564 -14.064 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 566 7.659 -12.663 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 566 9.577 -11.445 1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.592 -12.336 2.176 1.00 0.00 H new ATOM 1688 N PHE A 567 8.071 -10.197 2.926 1.00 0.00 N ATOM 1689 CA PHE A 567 8.343 -8.766 2.902 1.00 0.00 C ATOM 1690 C PHE A 567 7.560 -8.003 3.973 1.00 0.00 C ATOM 1691 O PHE A 567 8.095 -7.125 4.648 1.00 0.00 O ATOM 1692 CB PHE A 567 8.046 -8.215 1.494 1.00 0.00 C ATOM 1693 CG PHE A 567 6.733 -7.486 1.353 1.00 0.00 C ATOM 1694 CD1 PHE A 567 5.531 -8.169 1.431 1.00 0.00 C ATOM 1695 CD2 PHE A 567 6.705 -6.117 1.138 1.00 0.00 C ATOM 1696 CE1 PHE A 567 4.328 -7.502 1.302 1.00 0.00 C ATOM 1697 CE2 PHE A 567 5.505 -5.445 1.007 1.00 0.00 C ATOM 1698 CZ PHE A 567 4.317 -6.139 1.089 1.00 0.00 C ATOM 0 H PHE A 567 7.325 -10.495 2.298 1.00 0.00 H new ATOM 0 HA PHE A 567 9.397 -8.617 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 567 8.851 -7.538 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 567 8.061 -9.044 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 567 5.534 -9.237 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 567 7.633 -5.569 1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 567 3.398 -8.047 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 567 5.498 -4.378 0.841 1.00 0.00 H new ATOM 0 HZ PHE A 567 3.378 -5.616 0.987 1.00 0.00 H new ATOM 1708 N ILE A 568 6.297 -8.352 4.114 1.00 0.00 N ATOM 1709 CA ILE A 568 5.391 -7.731 5.079 1.00 0.00 C ATOM 1710 C ILE A 568 5.812 -7.912 6.513 1.00 0.00 C ATOM 1711 O ILE A 568 5.061 -7.561 7.426 1.00 0.00 O ATOM 1712 CB ILE A 568 3.930 -8.176 4.876 1.00 0.00 C ATOM 1713 CG1 ILE A 568 3.005 -6.964 4.865 1.00 0.00 C ATOM 1714 CG2 ILE A 568 3.487 -9.170 5.948 1.00 0.00 C ATOM 1715 CD1 ILE A 568 3.449 -5.864 3.928 1.00 0.00 C ATOM 0 H ILE A 568 5.858 -9.085 3.557 1.00 0.00 H new ATOM 0 HA ILE A 568 5.454 -6.662 4.873 1.00 0.00 H new ATOM 0 HB ILE A 568 3.870 -8.681 3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 568 2.003 -7.286 4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 568 2.937 -6.562 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 568 2.451 -9.460 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 568 4.123 -10.054 5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.570 -8.706 6.931 1.00 0.00 H new ATOM 0 HD11 ILE A 568 2.741 -5.037 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 568 4.438 -5.512 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 568 3.489 -6.248 2.909 1.00 0.00 H new ATOM 1727 N ILE A 569 6.998 -8.432 6.735 1.00 0.00 N ATOM 1728 CA ILE A 569 7.451 -8.601 8.093 1.00 0.00 C ATOM 1729 C ILE A 569 7.333 -7.234 8.718 1.00 0.00 C ATOM 1730 O ILE A 569 6.803 -7.072 9.817 1.00 0.00 O ATOM 1731 CB ILE A 569 8.923 -9.053 8.154 1.00 0.00 C ATOM 1732 CG1 ILE A 569 9.799 -8.133 7.276 1.00 0.00 C ATOM 1733 CG2 ILE A 569 9.049 -10.509 7.729 1.00 0.00 C ATOM 1734 CD1 ILE A 569 11.097 -8.765 6.817 1.00 0.00 C ATOM 0 H ILE A 569 7.650 -8.738 6.013 1.00 0.00 H new ATOM 0 HA ILE A 569 6.863 -9.364 8.603 1.00 0.00 H new ATOM 0 HB ILE A 569 9.277 -8.975 9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 569 9.225 -7.831 6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 569 10.027 -7.226 7.835 1.00 0.00 H new ATOM 0 HG21 ILE A 569 10.095 -10.813 7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 569 8.458 -11.135 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 569 8.685 -10.623 6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 569 11.652 -8.053 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 569 11.694 -9.041 7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 569 10.880 -9.656 6.228 1.00 0.00 H new ATOM 1746 N ASP A 570 7.714 -6.245 7.920 1.00 0.00 N ATOM 1747 CA ASP A 570 7.541 -4.854 8.277 1.00 0.00 C ATOM 1748 C ASP A 570 7.688 -4.603 9.756 1.00 0.00 C ATOM 1749 O ASP A 570 6.741 -4.112 10.378 1.00 0.00 O ATOM 1750 CB ASP A 570 6.156 -4.401 7.844 1.00 0.00 C ATOM 1751 CG ASP A 570 5.778 -4.927 6.482 1.00 0.00 C ATOM 1752 OD1 ASP A 570 6.608 -4.842 5.554 1.00 0.00 O ATOM 1753 OD2 ASP A 570 4.648 -5.430 6.347 1.00 0.00 O ATOM 0 H ASP A 570 8.150 -6.390 7.010 1.00 0.00 H new ATOM 0 HA ASP A 570 8.325 -4.292 7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.422 -4.736 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 570 6.120 -3.312 7.832 1.00 0.00 H new ATOM 1758 N GLY A 571 8.828 -4.905 10.351 1.00 0.00 N ATOM 1759 CA GLY A 571 8.919 -4.629 11.761 1.00 0.00 C ATOM 1760 C GLY A 571 8.513 -3.197 11.984 1.00 0.00 C ATOM 1761 O GLY A 571 7.691 -2.897 12.850 1.00 0.00 O ATOM 0 H GLY A 571 9.651 -5.315 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.270 -5.301 12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 571 9.936 -4.796 12.117 1.00 0.00 H new ATOM 1765 N ASP A 572 9.038 -2.318 11.133 1.00 0.00 N ATOM 1766 CA ASP A 572 8.666 -0.922 11.176 1.00 0.00 C ATOM 1767 C ASP A 572 8.044 -0.424 9.860 1.00 0.00 C ATOM 1768 O ASP A 572 7.472 0.666 9.842 1.00 0.00 O ATOM 1769 CB ASP A 572 9.888 -0.069 11.519 1.00 0.00 C ATOM 1770 CG ASP A 572 10.317 -0.229 12.965 1.00 0.00 C ATOM 1771 OD1 ASP A 572 10.828 -1.313 13.317 1.00 0.00 O ATOM 1772 OD2 ASP A 572 10.142 0.730 13.746 1.00 0.00 O ATOM 0 H ASP A 572 9.719 -2.555 10.411 1.00 0.00 H new ATOM 0 HA ASP A 572 7.904 -0.823 11.949 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.715 -0.344 10.865 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.662 0.979 11.324 1.00 0.00 H new ATOM 1777 N LEU A 573 8.196 -1.160 8.734 1.00 0.00 N ATOM 1778 CA LEU A 573 7.665 -0.643 7.471 1.00 0.00 C ATOM 1779 C LEU A 573 6.999 -1.646 6.554 1.00 0.00 C ATOM 1780 O LEU A 573 7.528 -2.715 6.266 1.00 0.00 O ATOM 1781 CB LEU A 573 8.766 0.070 6.697 1.00 0.00 C ATOM 1782 CG LEU A 573 8.275 1.097 5.676 1.00 0.00 C ATOM 1783 CD1 LEU A 573 8.206 2.483 6.301 1.00 0.00 C ATOM 1784 CD2 LEU A 573 9.178 1.106 4.452 1.00 0.00 C ATOM 0 H LEU A 573 8.659 -2.067 8.680 1.00 0.00 H new ATOM 0 HA LEU A 573 6.868 0.033 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.423 0.571 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.368 -0.677 6.179 1.00 0.00 H new ATOM 0 HG LEU A 573 7.271 0.814 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.855 3.200 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.517 2.468 7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.197 2.776 6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.813 1.843 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 573 10.194 1.363 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 573 9.175 0.119 3.990 1.00 0.00 H new ATOM 1796 N LEU A 574 5.883 -1.206 6.016 1.00 0.00 N ATOM 1797 CA LEU A 574 5.150 -1.936 5.009 1.00 0.00 C ATOM 1798 C LEU A 574 4.772 -0.910 3.942 1.00 0.00 C ATOM 1799 O LEU A 574 4.269 0.156 4.286 1.00 0.00 O ATOM 1800 CB LEU A 574 3.899 -2.580 5.627 1.00 0.00 C ATOM 1801 CG LEU A 574 2.582 -2.402 4.862 1.00 0.00 C ATOM 1802 CD1 LEU A 574 2.706 -2.922 3.436 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.457 -3.116 5.598 1.00 0.00 C ATOM 0 H LEU A 574 5.454 -0.317 6.271 1.00 0.00 H new ATOM 0 HA LEU A 574 5.741 -2.745 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 574 4.086 -3.648 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.767 -2.173 6.630 1.00 0.00 H new ATOM 0 HG LEU A 574 2.351 -1.338 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 574 1.759 -2.784 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 574 3.490 -2.372 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 574 2.958 -3.982 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 574 0.524 -2.986 5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 574 1.689 -4.178 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.352 -2.695 6.598 1.00 0.00 H new ATOM 1815 N ILE A 575 4.973 -1.199 2.671 1.00 0.00 N ATOM 1816 CA ILE A 575 4.593 -0.239 1.622 1.00 0.00 C ATOM 1817 C ILE A 575 3.861 -0.914 0.482 1.00 0.00 C ATOM 1818 O ILE A 575 4.270 -1.974 0.002 1.00 0.00 O ATOM 1819 CB ILE A 575 5.791 0.526 1.002 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.117 0.077 1.608 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.613 2.027 1.171 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.323 0.767 1.007 1.00 0.00 C ATOM 0 H ILE A 575 5.387 -2.067 2.332 1.00 0.00 H new ATOM 0 HA ILE A 575 3.950 0.472 2.140 1.00 0.00 H new ATOM 0 HB ILE A 575 5.815 0.292 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.099 0.266 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.221 -1.000 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.464 2.546 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 575 4.697 2.343 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.551 2.269 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.230 0.398 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.367 0.558 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.242 1.843 1.163 1.00 0.00 H new ATOM 1834 N LEU A 576 2.820 -0.260 0.009 1.00 0.00 N ATOM 1835 CA LEU A 576 2.070 -0.752 -1.119 1.00 0.00 C ATOM 1836 C LEU A 576 1.860 0.388 -2.080 1.00 0.00 C ATOM 1837 O LEU A 576 1.481 1.484 -1.669 1.00 0.00 O ATOM 1838 CB LEU A 576 0.708 -1.296 -0.662 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.541 -0.668 -1.326 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.891 -1.406 -2.613 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.708 -0.716 -0.360 1.00 0.00 C ATOM 0 H LEU A 576 2.475 0.619 0.394 1.00 0.00 H new ATOM 0 HA LEU A 576 2.620 -1.561 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.690 -2.370 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.629 -1.156 0.416 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.324 0.370 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.772 -0.950 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -0.053 -1.344 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -1.099 -2.452 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.587 -0.273 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.920 -1.752 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.457 -0.157 0.541 1.00 0.00 H new ATOM 1853 N LYS A 577 2.058 0.149 -3.352 1.00 0.00 N ATOM 1854 CA LYS A 577 1.820 1.206 -4.311 1.00 0.00 C ATOM 1855 C LYS A 577 1.000 0.693 -5.473 1.00 0.00 C ATOM 1856 O LYS A 577 1.281 -0.369 -6.021 1.00 0.00 O ATOM 1857 CB LYS A 577 3.138 1.790 -4.808 1.00 0.00 C ATOM 1858 CG LYS A 577 3.896 2.571 -3.751 1.00 0.00 C ATOM 1859 CD LYS A 577 5.398 2.498 -3.979 1.00 0.00 C ATOM 1860 CE LYS A 577 5.997 3.873 -4.223 1.00 0.00 C ATOM 1861 NZ LYS A 577 6.913 3.878 -5.397 1.00 0.00 N ATOM 0 H LYS A 577 2.374 -0.739 -3.743 1.00 0.00 H new ATOM 0 HA LYS A 577 1.259 1.997 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 577 3.770 0.980 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 577 2.938 2.444 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 577 3.574 3.612 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 577 3.657 2.177 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 577 5.876 2.042 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 577 5.605 1.854 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 577 5.196 4.595 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 577 6.542 4.194 -3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 7.301 4.834 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 7.691 3.208 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 6.387 3.596 -6.249 1.00 0.00 H new ATOM 1875 N LEU A 578 0.011 1.468 -5.877 1.00 0.00 N ATOM 1876 CA LEU A 578 -0.806 1.098 -7.010 1.00 0.00 C ATOM 1877 C LEU A 578 -0.749 2.230 -8.019 1.00 0.00 C ATOM 1878 O LEU A 578 -0.926 3.408 -7.668 1.00 0.00 O ATOM 1879 CB LEU A 578 -2.249 0.833 -6.558 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.386 0.135 -5.194 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -3.148 1.010 -4.202 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -3.069 -1.221 -5.345 1.00 0.00 C ATOM 0 H LEU A 578 -0.243 2.353 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.434 0.181 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -2.781 1.783 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -2.744 0.222 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.382 -0.027 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -3.229 0.491 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -2.614 1.949 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -4.146 1.215 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -3.155 -1.696 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -4.063 -1.082 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -2.477 -1.855 -6.006 1.00 0.00 H new ATOM 1894 N GLY A 579 -0.504 1.860 -9.270 1.00 0.00 N ATOM 1895 CA GLY A 579 -0.390 2.838 -10.322 1.00 0.00 C ATOM 1896 C GLY A 579 -1.697 3.163 -10.980 1.00 0.00 C ATOM 1897 O GLY A 579 -1.746 4.022 -11.862 1.00 0.00 O ATOM 0 H GLY A 579 -0.382 0.893 -9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 579 0.039 3.753 -9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 579 0.306 2.470 -11.076 1.00 0.00 H new ATOM 1901 N LYS A 580 -2.769 2.505 -10.564 1.00 0.00 N ATOM 1902 CA LYS A 580 -4.044 2.800 -11.163 1.00 0.00 C ATOM 1903 C LYS A 580 -4.540 4.132 -10.644 1.00 0.00 C ATOM 1904 O LYS A 580 -4.938 4.993 -11.429 1.00 0.00 O ATOM 1905 CB LYS A 580 -5.064 1.692 -10.886 1.00 0.00 C ATOM 1906 CG LYS A 580 -5.048 1.167 -9.459 1.00 0.00 C ATOM 1907 CD LYS A 580 -6.458 0.880 -8.961 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.781 1.673 -7.705 1.00 0.00 C ATOM 1909 NZ LYS A 580 -8.031 1.195 -7.051 1.00 0.00 N ATOM 0 H LYS A 580 -2.777 1.788 -9.838 1.00 0.00 H new ATOM 0 HA LYS A 580 -3.920 2.856 -12.244 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -6.062 2.069 -11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -4.876 0.863 -11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -4.450 0.257 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -4.570 1.897 -8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -7.177 1.126 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -6.562 -0.185 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -5.951 1.594 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -6.885 2.728 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -8.791 1.888 -7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -8.309 0.280 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -7.867 1.082 -6.030 1.00 0.00 H new ATOM 1923 N TRP A 581 -4.483 4.327 -9.328 1.00 0.00 N ATOM 1924 CA TRP A 581 -4.905 5.596 -8.771 1.00 0.00 C ATOM 1925 C TRP A 581 -4.024 6.125 -7.643 1.00 0.00 C ATOM 1926 O TRP A 581 -3.649 7.298 -7.647 1.00 0.00 O ATOM 1927 CB TRP A 581 -6.346 5.491 -8.268 1.00 0.00 C ATOM 1928 CG TRP A 581 -7.366 5.444 -9.365 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -7.274 6.022 -10.598 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -8.638 4.786 -9.323 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -8.408 5.756 -11.328 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -9.260 5.001 -10.567 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -9.309 4.033 -8.356 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -10.520 4.492 -10.868 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -10.561 3.528 -8.655 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -11.155 3.759 -9.903 1.00 0.00 C ATOM 0 H TRP A 581 -4.157 3.639 -8.649 1.00 0.00 H new ATOM 0 HA TRP A 581 -4.817 6.311 -9.589 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -6.443 4.595 -7.655 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -6.559 6.343 -7.622 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -6.434 6.603 -10.949 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -8.586 6.070 -12.282 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -8.858 3.849 -7.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -10.980 4.669 -11.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -11.090 2.946 -7.915 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -12.134 3.350 -10.107 1.00 0.00 H new ATOM 1947 N LYS A 582 -3.783 5.301 -6.620 1.00 0.00 N ATOM 1948 CA LYS A 582 -3.056 5.775 -5.453 1.00 0.00 C ATOM 1949 C LYS A 582 -2.060 4.791 -4.878 1.00 0.00 C ATOM 1950 O LYS A 582 -2.127 3.582 -5.106 1.00 0.00 O ATOM 1951 CB LYS A 582 -4.040 6.202 -4.354 1.00 0.00 C ATOM 1952 CG LYS A 582 -5.501 5.906 -4.672 1.00 0.00 C ATOM 1953 CD LYS A 582 -6.438 6.672 -3.752 1.00 0.00 C ATOM 1954 CE LYS A 582 -7.050 7.874 -4.454 1.00 0.00 C ATOM 1955 NZ LYS A 582 -6.022 8.895 -4.804 1.00 0.00 N ATOM 0 H LYS A 582 -4.075 4.325 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 582 -2.470 6.622 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -3.772 5.696 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -3.928 7.272 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -5.710 6.171 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -5.686 4.836 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -7.231 6.009 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -5.892 7.004 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -7.559 7.545 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -7.805 8.325 -3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -6.481 9.706 -5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -5.542 9.215 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -5.324 8.477 -5.452 1.00 0.00 H new ATOM 1969 N MET A 583 -1.204 5.333 -4.031 1.00 0.00 N ATOM 1970 CA MET A 583 -0.255 4.561 -3.277 1.00 0.00 C ATOM 1971 C MET A 583 -0.656 4.687 -1.821 1.00 0.00 C ATOM 1972 O MET A 583 -0.939 5.780 -1.318 1.00 0.00 O ATOM 1973 CB MET A 583 1.179 5.076 -3.479 1.00 0.00 C ATOM 1974 CG MET A 583 1.978 5.219 -2.182 1.00 0.00 C ATOM 1975 SD MET A 583 3.633 5.878 -2.453 1.00 0.00 S ATOM 1976 CE MET A 583 4.604 4.760 -1.448 1.00 0.00 C ATOM 0 H MET A 583 -1.154 6.336 -3.851 1.00 0.00 H new ATOM 0 HA MET A 583 -0.264 3.523 -3.608 1.00 0.00 H new ATOM 0 HB2 MET A 583 1.708 4.395 -4.146 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.139 6.044 -3.978 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.438 5.874 -1.498 1.00 0.00 H new ATOM 0 HG3 MET A 583 2.054 4.245 -1.698 1.00 0.00 H new ATOM 0 HE1 MET A 583 5.658 4.857 -1.710 1.00 0.00 H new ATOM 0 HE2 MET A 583 4.467 5.006 -0.395 1.00 0.00 H new ATOM 0 HE3 MET A 583 4.279 3.735 -1.626 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.656 3.568 -1.157 1.00 0.00 N ATOM 1987 CA LYS A 584 -0.997 3.509 0.239 1.00 0.00 C ATOM 1988 C LYS A 584 0.169 2.869 0.965 1.00 0.00 C ATOM 1989 O LYS A 584 0.720 1.866 0.520 1.00 0.00 O ATOM 1990 CB LYS A 584 -2.282 2.685 0.385 1.00 0.00 C ATOM 1991 CG LYS A 584 -3.080 2.955 1.647 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.691 1.978 2.718 1.00 0.00 C ATOM 1993 CE LYS A 584 -3.266 0.614 2.414 1.00 0.00 C ATOM 1994 NZ LYS A 584 -2.347 -0.468 2.848 1.00 0.00 N ATOM 0 H LYS A 584 -0.419 2.665 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 584 -1.178 4.496 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -2.919 2.879 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -2.022 1.627 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -2.900 3.974 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -4.147 2.872 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -1.605 1.916 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -3.052 2.325 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -4.227 0.502 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -3.454 0.527 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -2.117 -1.075 2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -1.473 -0.050 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.806 -1.038 3.587 1.00 0.00 H new ATOM 2008 N LEU A 585 0.549 3.460 2.070 1.00 0.00 N ATOM 2009 CA LEU A 585 1.661 2.966 2.853 1.00 0.00 C ATOM 2010 C LEU A 585 1.170 2.640 4.240 1.00 0.00 C ATOM 2011 O LEU A 585 0.390 3.387 4.822 1.00 0.00 O ATOM 2012 CB LEU A 585 2.775 4.020 2.894 1.00 0.00 C ATOM 2013 CG LEU A 585 3.714 3.957 4.106 1.00 0.00 C ATOM 2014 CD1 LEU A 585 4.661 2.775 3.995 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.497 5.253 4.240 1.00 0.00 C ATOM 0 H LEU A 585 0.101 4.293 2.453 1.00 0.00 H new ATOM 0 HA LEU A 585 2.071 2.062 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 585 3.375 3.922 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.315 5.008 2.866 1.00 0.00 H new ATOM 0 HG LEU A 585 3.106 3.824 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 585 5.317 2.751 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 585 4.085 1.851 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 585 5.262 2.874 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.158 5.191 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 585 5.091 5.414 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 585 3.805 6.084 4.371 1.00 0.00 H new ATOM 2027 N VAL A 586 1.610 1.519 4.759 1.00 0.00 N ATOM 2028 CA VAL A 586 1.192 1.094 6.072 1.00 0.00 C ATOM 2029 C VAL A 586 2.376 0.678 6.931 1.00 0.00 C ATOM 2030 O VAL A 586 3.245 -0.064 6.482 1.00 0.00 O ATOM 2031 CB VAL A 586 0.221 -0.102 5.962 1.00 0.00 C ATOM 2032 CG1 VAL A 586 0.163 -0.895 7.263 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.166 0.359 5.562 1.00 0.00 C ATOM 0 H VAL A 586 2.258 0.885 4.292 1.00 0.00 H new ATOM 0 HA VAL A 586 0.696 1.943 6.542 1.00 0.00 H new ATOM 0 HB VAL A 586 0.604 -0.761 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -0.530 -1.729 7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 586 1.156 -1.277 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.179 -0.246 8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.830 -0.503 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.549 1.052 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -1.118 0.860 4.595 1.00 0.00 H new ATOM 2043 N SER A 587 2.371 1.099 8.185 1.00 0.00 N ATOM 2044 CA SER A 587 3.412 0.693 9.115 1.00 0.00 C ATOM 2045 C SER A 587 2.752 -0.209 10.144 1.00 0.00 C ATOM 2046 O SER A 587 1.665 0.106 10.629 1.00 0.00 O ATOM 2047 CB SER A 587 4.037 1.914 9.798 1.00 0.00 C ATOM 2048 OG SER A 587 5.428 1.993 9.537 1.00 0.00 O ATOM 0 H SER A 587 1.663 1.718 8.581 1.00 0.00 H new ATOM 0 HA SER A 587 4.214 0.172 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 587 3.546 2.821 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 587 3.869 1.858 10.874 1.00 0.00 H new ATOM 0 HG SER A 587 5.827 1.101 9.614 1.00 0.00 H new ATOM 2054 N ILE A 588 3.367 -1.338 10.464 1.00 0.00 N ATOM 2055 CA ILE A 588 2.758 -2.245 11.417 1.00 0.00 C ATOM 2056 C ILE A 588 3.721 -2.778 12.454 1.00 0.00 C ATOM 2057 O ILE A 588 4.905 -2.993 12.193 1.00 0.00 O ATOM 2058 CB ILE A 588 2.055 -3.419 10.714 1.00 0.00 C ATOM 2059 CG1 ILE A 588 3.041 -4.187 9.831 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.872 -2.912 9.899 1.00 0.00 C ATOM 2061 CD1 ILE A 588 3.451 -3.440 8.581 1.00 0.00 C ATOM 0 H ILE A 588 4.265 -1.641 10.087 1.00 0.00 H new ATOM 0 HA ILE A 588 2.019 -1.642 11.945 1.00 0.00 H new ATOM 0 HB ILE A 588 1.679 -4.106 11.472 1.00 0.00 H new ATOM 0 HG12 ILE A 588 3.933 -4.418 10.414 1.00 0.00 H new ATOM 0 HG13 ILE A 588 2.593 -5.138 9.544 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.383 -3.752 9.406 1.00 0.00 H new ATOM 0 HG22 ILE A 588 0.162 -2.415 10.559 1.00 0.00 H new ATOM 0 HG23 ILE A 588 1.224 -2.206 9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 588 4.150 -4.048 8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 588 2.569 -3.232 7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 588 3.930 -2.501 8.859 1.00 0.00 H new ATOM 2073 N VAL A 589 3.168 -3.008 13.629 1.00 0.00 N ATOM 2074 CA VAL A 589 3.918 -3.549 14.751 1.00 0.00 C ATOM 2075 C VAL A 589 3.151 -4.694 15.397 1.00 0.00 C ATOM 2076 O VAL A 589 1.919 -4.699 15.404 1.00 0.00 O ATOM 2077 CB VAL A 589 4.218 -2.473 15.810 1.00 0.00 C ATOM 2078 CG1 VAL A 589 5.293 -1.519 15.315 1.00 0.00 C ATOM 2079 CG2 VAL A 589 2.949 -1.716 16.175 1.00 0.00 C ATOM 0 H VAL A 589 2.186 -2.826 13.835 1.00 0.00 H new ATOM 0 HA VAL A 589 4.867 -3.916 14.359 1.00 0.00 H new ATOM 0 HB VAL A 589 4.591 -2.967 16.707 1.00 0.00 H new ATOM 0 HG11 VAL A 589 5.491 -0.766 16.078 1.00 0.00 H new ATOM 0 HG12 VAL A 589 6.207 -2.076 15.110 1.00 0.00 H new ATOM 0 HG13 VAL A 589 4.953 -1.030 14.402 1.00 0.00 H new ATOM 0 HG21 VAL A 589 3.180 -0.959 16.925 1.00 0.00 H new ATOM 0 HG22 VAL A 589 2.544 -1.234 15.285 1.00 0.00 H new ATOM 0 HG23 VAL A 589 2.213 -2.412 16.577 1.00 0.00 H new ATOM 2089 N SER A 590 3.880 -5.667 15.934 1.00 0.00 N ATOM 2090 CA SER A 590 3.261 -6.822 16.577 1.00 0.00 C ATOM 2091 C SER A 590 2.137 -6.389 17.512 1.00 0.00 C ATOM 2092 O SER A 590 2.211 -5.332 18.138 1.00 0.00 O ATOM 2093 CB SER A 590 4.309 -7.619 17.357 1.00 0.00 C ATOM 2094 OG SER A 590 3.877 -8.951 17.576 1.00 0.00 O ATOM 0 H SER A 590 4.900 -5.679 15.937 1.00 0.00 H new ATOM 0 HA SER A 590 2.837 -7.455 15.798 1.00 0.00 H new ATOM 0 HB2 SER A 590 5.250 -7.624 16.807 1.00 0.00 H new ATOM 0 HB3 SER A 590 4.502 -7.134 18.314 1.00 0.00 H new ATOM 0 HG SER A 590 4.564 -9.440 18.075 1.00 0.00 H new