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 Single : A 494 THR OG1 : rot 180:sc= 0 USER MOD Single : A 497 LYS NZ :NH3+ -176:sc= 0.668 (180deg=0.657) 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 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 504 THR OG1 : rot 121:sc= -3.13! USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 507 LYS NZ :NH3+ -113:sc= -7.12! (180deg=-12.7!) USER MOD Single : A 511 SER OG : rot 83:sc= 1.83 USER MOD Single : A 517 SER OG : rot 180:sc= -3.4! USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 SER OG : rot 180:sc= -0.972 USER MOD Single : A 522 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 526 ASN :FLIP amide:sc= -0.0438 F(o=-0.85,f=-0.044) USER MOD Single : A 527 ASN :FLIP amide:sc= -1.4 F(o=-4!,f=-1.4) USER MOD Single : A 528 ASN : amide:sc= -3.38! C(o=-3.4!,f=-5.3!) USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 534 SER OG : rot 114:sc= 0.897 USER MOD Single : A 552 THR OG1 : rot -120:sc= -2.1! USER MOD Single : A 554 THR OG1 : rot 12:sc= -3.65! USER MOD Single : A 557 LYS NZ :NH3+ -108:sc= -0.0265 (180deg=-0.205) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 ASN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 144:sc= -3.21! (180deg=-5.78!) USER MOD Single : A 564 THR OG1 : rot 165:sc= -0.498 USER MOD Single : A 565 GLN :FLIP amide:sc= -0.423 F(o=-2.4,f=-0.42) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 LYS NZ :NH3+ 143:sc= -1.73 (180deg=-2.64!) USER MOD Single : A 582 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 MET CE :methyl -141:sc= -0.141 (180deg=-0.863) USER MOD Single : A 584 LYS NZ :NH3+ -175:sc= -4.95! (180deg=-5.38!) USER MOD Single : A 587 SER OG : rot -83:sc= 1.03 USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -0.839 8.348 1.019 1.00 0.00 N ATOM 524 CA ALA A 491 -1.632 7.898 2.160 1.00 0.00 C ATOM 525 C ALA A 491 -0.873 6.896 3.028 1.00 0.00 C ATOM 526 O ALA A 491 -0.242 5.972 2.516 1.00 0.00 O ATOM 527 CB ALA A 491 -2.940 7.307 1.668 1.00 0.00 C ATOM 0 HA ALA A 491 -1.840 8.763 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -3.531 6.971 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -3.497 8.064 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -2.733 6.460 1.014 1.00 0.00 H new ATOM 533 N ARG A 492 -0.964 7.071 4.348 1.00 0.00 N ATOM 534 CA ARG A 492 -0.322 6.175 5.296 1.00 0.00 C ATOM 535 C ARG A 492 -1.281 5.851 6.438 1.00 0.00 C ATOM 536 O ARG A 492 -1.923 6.741 6.994 1.00 0.00 O ATOM 537 CB ARG A 492 0.958 6.816 5.842 1.00 0.00 C ATOM 538 CG ARG A 492 1.615 6.031 6.969 1.00 0.00 C ATOM 539 CD ARG A 492 2.831 5.257 6.483 1.00 0.00 C ATOM 540 NE ARG A 492 4.066 5.730 7.108 1.00 0.00 N ATOM 541 CZ ARG A 492 4.806 6.733 6.636 1.00 0.00 C ATOM 542 NH1 ARG A 492 4.442 7.378 5.535 1.00 0.00 N ATOM 543 NH2 ARG A 492 5.913 7.093 7.270 1.00 0.00 N ATOM 0 H ARG A 492 -1.483 7.835 4.782 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.058 5.249 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 492 1.672 6.927 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.725 7.819 6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.913 6.715 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.892 5.339 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 492 2.697 4.197 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 492 2.913 5.352 5.400 1.00 0.00 H new ATOM 0 HE ARG A 492 4.381 5.263 7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 492 3.590 7.107 5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 492 5.014 8.145 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 492 6.198 6.603 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 492 6.480 7.860 6.910 1.00 0.00 H new ATOM 557 N VAL A 493 -1.359 4.583 6.789 1.00 0.00 N ATOM 558 CA VAL A 493 -2.218 4.138 7.871 1.00 0.00 C ATOM 559 C VAL A 493 -1.513 3.130 8.778 1.00 0.00 C ATOM 560 O VAL A 493 -0.511 2.526 8.383 1.00 0.00 O ATOM 561 CB VAL A 493 -3.491 3.497 7.328 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.417 4.552 6.739 1.00 0.00 C ATOM 563 CG2 VAL A 493 -3.138 2.421 6.313 1.00 0.00 C ATOM 0 H VAL A 493 -0.833 3.835 6.336 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.469 5.025 8.454 1.00 0.00 H new ATOM 0 HB VAL A 493 -4.029 3.021 8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.319 4.073 6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -4.688 5.271 7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -3.909 5.069 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -4.052 1.968 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -2.581 2.867 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -2.527 1.656 6.792 1.00 0.00 H new ATOM 573 N THR A 494 -2.061 2.902 9.974 1.00 0.00 N ATOM 574 CA THR A 494 -1.487 1.911 10.880 1.00 0.00 C ATOM 575 C THR A 494 -2.515 0.823 11.197 1.00 0.00 C ATOM 576 O THR A 494 -3.670 1.113 11.514 1.00 0.00 O ATOM 577 CB THR A 494 -1.019 2.579 12.173 1.00 0.00 C ATOM 578 OG1 THR A 494 -0.389 1.639 13.025 1.00 0.00 O ATOM 579 CG2 THR A 494 -2.143 3.225 12.954 1.00 0.00 C ATOM 0 H THR A 494 -2.887 3.382 10.331 1.00 0.00 H new ATOM 0 HA THR A 494 -0.628 1.453 10.390 1.00 0.00 H new ATOM 0 HB THR A 494 -0.322 3.356 11.860 1.00 0.00 H new ATOM 0 HG1 THR A 494 -0.095 2.087 13.846 1.00 0.00 H new ATOM 0 HG21 THR A 494 -1.742 3.680 13.860 1.00 0.00 H new ATOM 0 HG22 THR A 494 -2.618 3.992 12.342 1.00 0.00 H new ATOM 0 HG23 THR A 494 -2.880 2.469 13.224 1.00 0.00 H new ATOM 587 N LEU A 495 -2.076 -0.430 11.115 1.00 0.00 N ATOM 588 CA LEU A 495 -2.928 -1.584 11.396 1.00 0.00 C ATOM 589 C LEU A 495 -2.186 -2.617 12.251 1.00 0.00 C ATOM 590 O LEU A 495 -0.958 -2.586 12.336 1.00 0.00 O ATOM 591 CB LEU A 495 -3.416 -2.212 10.085 1.00 0.00 C ATOM 592 CG LEU A 495 -2.418 -3.141 9.392 1.00 0.00 C ATOM 593 CD1 LEU A 495 -2.449 -4.518 10.030 1.00 0.00 C ATOM 594 CD2 LEU A 495 -2.716 -3.237 7.904 1.00 0.00 C ATOM 0 H LEU A 495 -1.121 -0.675 10.852 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.795 -1.244 11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.328 -2.773 10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.681 -1.411 9.395 1.00 0.00 H new ATOM 0 HG LEU A 495 -1.418 -2.724 9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -1.734 -5.168 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -2.186 -4.436 11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -3.450 -4.939 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.994 -3.903 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -3.722 -3.631 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -2.646 -2.247 7.454 1.00 0.00 H new ATOM 606 N PRO A 496 -2.911 -3.561 12.884 1.00 0.00 N ATOM 607 CA PRO A 496 -2.290 -4.607 13.708 1.00 0.00 C ATOM 608 C PRO A 496 -1.460 -5.588 12.869 1.00 0.00 C ATOM 609 O PRO A 496 -1.980 -6.255 11.975 1.00 0.00 O ATOM 610 CB PRO A 496 -3.485 -5.330 14.351 1.00 0.00 C ATOM 611 CG PRO A 496 -4.671 -4.456 14.097 1.00 0.00 C ATOM 612 CD PRO A 496 -4.372 -3.695 12.839 1.00 0.00 C ATOM 0 HA PRO A 496 -1.595 -4.188 14.435 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -3.626 -6.318 13.914 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -3.327 -5.474 15.420 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -5.576 -5.052 13.985 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -4.839 -3.776 14.932 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.702 -4.234 11.951 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -4.868 -2.724 12.825 1.00 0.00 H new ATOM 620 N LYS A 497 -0.164 -5.655 13.166 1.00 0.00 N ATOM 621 CA LYS A 497 0.775 -6.526 12.451 1.00 0.00 C ATOM 622 C LYS A 497 0.314 -7.980 12.367 1.00 0.00 C ATOM 623 O LYS A 497 0.675 -8.698 11.433 1.00 0.00 O ATOM 624 CB LYS A 497 2.137 -6.472 13.152 1.00 0.00 C ATOM 625 CG LYS A 497 3.171 -7.424 12.569 1.00 0.00 C ATOM 626 CD LYS A 497 4.587 -6.965 12.878 1.00 0.00 C ATOM 627 CE LYS A 497 5.502 -8.143 13.177 1.00 0.00 C ATOM 628 NZ LYS A 497 6.935 -7.802 12.960 1.00 0.00 N ATOM 0 H LYS A 497 0.268 -5.107 13.910 1.00 0.00 H new ATOM 0 HA LYS A 497 0.836 -6.155 11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.523 -5.454 13.096 1.00 0.00 H new ATOM 0 HB3 LYS A 497 2.000 -6.703 14.208 1.00 0.00 H new ATOM 0 HG2 LYS A 497 3.015 -8.424 12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 497 3.037 -7.492 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 497 4.981 -6.402 12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 497 4.573 -6.288 13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 497 5.357 -8.462 14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 497 5.229 -8.985 12.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 7.520 -8.649 13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 7.066 -7.457 11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 7.221 -7.062 13.632 1.00 0.00 H new ATOM 642 N SER A 498 -0.428 -8.427 13.362 1.00 0.00 N ATOM 643 CA SER A 498 -0.874 -9.820 13.418 1.00 0.00 C ATOM 644 C SER A 498 -1.743 -10.249 12.227 1.00 0.00 C ATOM 645 O SER A 498 -1.514 -11.307 11.642 1.00 0.00 O ATOM 646 CB SER A 498 -1.641 -10.056 14.720 1.00 0.00 C ATOM 647 OG SER A 498 -2.363 -11.274 14.676 1.00 0.00 O ATOM 0 H SER A 498 -0.738 -7.852 14.145 1.00 0.00 H new ATOM 0 HA SER A 498 0.027 -10.432 13.374 1.00 0.00 H new ATOM 0 HB2 SER A 498 -0.944 -10.074 15.558 1.00 0.00 H new ATOM 0 HB3 SER A 498 -2.329 -9.229 14.895 1.00 0.00 H new ATOM 0 HG SER A 498 -2.843 -11.401 15.521 1.00 0.00 H new ATOM 653 N LEU A 499 -2.748 -9.451 11.887 1.00 0.00 N ATOM 654 CA LEU A 499 -3.656 -9.787 10.785 1.00 0.00 C ATOM 655 C LEU A 499 -3.021 -9.597 9.406 1.00 0.00 C ATOM 656 O LEU A 499 -3.612 -9.968 8.393 1.00 0.00 O ATOM 657 CB LEU A 499 -4.923 -8.941 10.881 1.00 0.00 C ATOM 658 CG LEU A 499 -4.717 -7.455 10.600 1.00 0.00 C ATOM 659 CD1 LEU A 499 -5.202 -7.103 9.202 1.00 0.00 C ATOM 660 CD2 LEU A 499 -5.430 -6.606 11.644 1.00 0.00 C ATOM 0 H LEU A 499 -2.959 -8.569 12.353 1.00 0.00 H new ATOM 0 HA LEU A 499 -3.894 -10.846 10.887 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -5.659 -9.332 10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -5.345 -9.054 11.880 1.00 0.00 H new ATOM 0 HG LEU A 499 -3.650 -7.241 10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -5.047 -6.040 9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.644 -7.682 8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -6.264 -7.335 9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -5.270 -5.550 11.425 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -6.498 -6.824 11.622 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -5.033 -6.836 12.633 1.00 0.00 H new ATOM 672 N VAL A 500 -1.840 -9.003 9.365 1.00 0.00 N ATOM 673 CA VAL A 500 -1.158 -8.748 8.102 1.00 0.00 C ATOM 674 C VAL A 500 -0.544 -10.010 7.514 1.00 0.00 C ATOM 675 O VAL A 500 -0.331 -10.110 6.306 1.00 0.00 O ATOM 676 CB VAL A 500 -0.054 -7.692 8.272 1.00 0.00 C ATOM 677 CG1 VAL A 500 0.460 -7.243 6.918 1.00 0.00 C ATOM 678 CG2 VAL A 500 -0.558 -6.500 9.068 1.00 0.00 C ATOM 0 H VAL A 500 -1.331 -8.687 10.191 1.00 0.00 H new ATOM 0 HA VAL A 500 -1.919 -8.379 7.415 1.00 0.00 H new ATOM 0 HB VAL A 500 0.767 -8.147 8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 500 1.241 -6.495 7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.868 -8.100 6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.359 -6.811 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 500 0.243 -5.768 9.174 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.400 -6.044 8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.879 -6.831 10.056 1.00 0.00 H new ATOM 688 N TYR A 501 -0.235 -10.952 8.384 1.00 0.00 N ATOM 689 CA TYR A 501 0.396 -12.207 8.001 1.00 0.00 C ATOM 690 C TYR A 501 -0.351 -12.976 6.902 1.00 0.00 C ATOM 691 O TYR A 501 0.262 -13.746 6.169 1.00 0.00 O ATOM 692 CB TYR A 501 0.553 -13.104 9.229 1.00 0.00 C ATOM 693 CG TYR A 501 1.806 -12.824 10.027 1.00 0.00 C ATOM 694 CD1 TYR A 501 2.081 -11.546 10.499 1.00 0.00 C ATOM 695 CD2 TYR A 501 2.714 -13.836 10.309 1.00 0.00 C ATOM 696 CE1 TYR A 501 3.225 -11.286 11.229 1.00 0.00 C ATOM 697 CE2 TYR A 501 3.860 -13.585 11.039 1.00 0.00 C ATOM 698 CZ TYR A 501 4.111 -12.308 11.496 1.00 0.00 C ATOM 699 OH TYR A 501 5.251 -12.054 12.222 1.00 0.00 O ATOM 0 H TYR A 501 -0.415 -10.870 9.385 1.00 0.00 H new ATOM 0 HA TYR A 501 1.367 -11.939 7.585 1.00 0.00 H new ATOM 0 HB2 TYR A 501 -0.315 -12.976 9.875 1.00 0.00 H new ATOM 0 HB3 TYR A 501 0.561 -14.146 8.909 1.00 0.00 H new ATOM 0 HD1 TYR A 501 1.389 -10.743 10.292 1.00 0.00 H new ATOM 0 HD2 TYR A 501 2.521 -14.837 9.952 1.00 0.00 H new ATOM 0 HE1 TYR A 501 3.424 -10.287 11.589 1.00 0.00 H new ATOM 0 HE2 TYR A 501 4.555 -14.384 11.251 1.00 0.00 H new ATOM 0 HH TYR A 501 5.766 -12.881 12.322 1.00 0.00 H new ATOM 709 N ASP A 502 -1.670 -12.847 6.841 1.00 0.00 N ATOM 710 CA ASP A 502 -2.456 -13.627 5.871 1.00 0.00 C ATOM 711 C ASP A 502 -2.385 -13.135 4.413 1.00 0.00 C ATOM 712 O ASP A 502 -2.140 -13.939 3.514 1.00 0.00 O ATOM 713 CB ASP A 502 -3.919 -13.665 6.315 1.00 0.00 C ATOM 714 CG ASP A 502 -4.568 -15.009 6.051 1.00 0.00 C ATOM 715 OD1 ASP A 502 -4.684 -15.391 4.868 1.00 0.00 O ATOM 716 OD2 ASP A 502 -4.960 -15.680 7.029 1.00 0.00 O ATOM 0 H ASP A 502 -2.217 -12.225 7.436 1.00 0.00 H new ATOM 0 HA ASP A 502 -2.003 -14.618 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.979 -13.439 7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -4.475 -12.887 5.792 1.00 0.00 H new ATOM 721 N LYS A 503 -2.605 -11.843 4.159 1.00 0.00 N ATOM 722 CA LYS A 503 -2.564 -11.331 2.798 1.00 0.00 C ATOM 723 C LYS A 503 -1.486 -10.270 2.626 1.00 0.00 C ATOM 724 O LYS A 503 -1.349 -9.356 3.436 1.00 0.00 O ATOM 725 CB LYS A 503 -3.930 -10.786 2.384 1.00 0.00 C ATOM 726 CG LYS A 503 -4.642 -11.646 1.353 1.00 0.00 C ATOM 727 CD LYS A 503 -5.431 -12.766 2.012 1.00 0.00 C ATOM 728 CE LYS A 503 -6.665 -12.234 2.722 1.00 0.00 C ATOM 729 NZ LYS A 503 -7.814 -13.176 2.620 1.00 0.00 N ATOM 0 H LYS A 503 -2.811 -11.144 4.872 1.00 0.00 H new ATOM 0 HA LYS A 503 -2.310 -12.164 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -4.560 -10.698 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.804 -9.781 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -5.315 -11.025 0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -3.911 -12.070 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -5.729 -13.495 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -4.795 -13.289 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -6.432 -12.058 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -6.945 -11.272 2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -8.636 -12.776 3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -8.053 -13.325 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -7.556 -14.086 3.053 1.00 0.00 H new ATOM 743 N THR A 504 -0.712 -10.412 1.577 1.00 0.00 N ATOM 744 CA THR A 504 0.364 -9.474 1.288 1.00 0.00 C ATOM 745 C THR A 504 -0.141 -8.112 0.775 1.00 0.00 C ATOM 746 O THR A 504 -0.132 -7.115 1.496 1.00 0.00 O ATOM 747 CB THR A 504 1.276 -10.099 0.236 1.00 0.00 C ATOM 748 OG1 THR A 504 1.505 -11.464 0.526 1.00 0.00 O ATOM 749 CG2 THR A 504 2.618 -9.416 0.107 1.00 0.00 C ATOM 0 H THR A 504 -0.802 -11.171 0.901 1.00 0.00 H new ATOM 0 HA THR A 504 0.895 -9.282 2.220 1.00 0.00 H new ATOM 0 HB THR A 504 0.747 -9.978 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.201 -12.014 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.209 -9.917 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.470 -8.373 -0.173 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.144 -9.465 1.060 1.00 0.00 H new ATOM 757 N PHE A 505 -0.561 -8.097 -0.489 1.00 0.00 N ATOM 758 CA PHE A 505 -1.061 -6.889 -1.165 1.00 0.00 C ATOM 759 C PHE A 505 -2.465 -6.479 -0.725 1.00 0.00 C ATOM 760 O PHE A 505 -2.692 -5.372 -0.235 1.00 0.00 O ATOM 761 CB PHE A 505 -1.033 -7.062 -2.701 1.00 0.00 C ATOM 762 CG PHE A 505 -0.357 -8.320 -3.160 1.00 0.00 C ATOM 763 CD1 PHE A 505 -1.016 -9.535 -3.087 1.00 0.00 C ATOM 764 CD2 PHE A 505 0.939 -8.289 -3.646 1.00 0.00 C ATOM 765 CE1 PHE A 505 -0.395 -10.697 -3.489 1.00 0.00 C ATOM 766 CE2 PHE A 505 1.565 -9.450 -4.054 1.00 0.00 C ATOM 767 CZ PHE A 505 0.898 -10.655 -3.974 1.00 0.00 C ATOM 0 H PHE A 505 -0.566 -8.927 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.384 -6.088 -0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -2.056 -7.054 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -0.524 -6.206 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 505 -2.028 -9.572 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 505 1.465 -7.348 -3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 505 -0.918 -11.640 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 505 2.575 -9.415 -4.435 1.00 0.00 H new ATOM 0 HZ PHE A 505 1.386 -11.565 -4.290 1.00 0.00 H new ATOM 777 N SER A 506 -3.409 -7.372 -0.996 1.00 0.00 N ATOM 778 CA SER A 506 -4.825 -7.144 -0.743 1.00 0.00 C ATOM 779 C SER A 506 -5.155 -6.625 0.651 1.00 0.00 C ATOM 780 O SER A 506 -5.548 -5.472 0.817 1.00 0.00 O ATOM 781 CB SER A 506 -5.584 -8.452 -0.968 1.00 0.00 C ATOM 782 OG SER A 506 -5.488 -8.876 -2.318 1.00 0.00 O ATOM 0 H SER A 506 -3.209 -8.286 -1.403 1.00 0.00 H new ATOM 0 HA SER A 506 -5.128 -6.360 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 506 -5.184 -9.225 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 506 -6.632 -8.318 -0.700 1.00 0.00 H new ATOM 0 HG SER A 506 -5.981 -9.715 -2.433 1.00 0.00 H new ATOM 788 N LYS A 507 -5.049 -7.488 1.645 1.00 0.00 N ATOM 789 CA LYS A 507 -5.421 -7.117 3.004 1.00 0.00 C ATOM 790 C LYS A 507 -4.818 -5.792 3.445 1.00 0.00 C ATOM 791 O LYS A 507 -5.530 -4.939 3.979 1.00 0.00 O ATOM 792 CB LYS A 507 -5.061 -8.218 3.988 1.00 0.00 C ATOM 793 CG LYS A 507 -3.574 -8.491 4.091 1.00 0.00 C ATOM 794 CD LYS A 507 -2.858 -7.594 5.094 1.00 0.00 C ATOM 795 CE LYS A 507 -3.729 -7.233 6.291 1.00 0.00 C ATOM 796 NZ LYS A 507 -3.014 -6.356 7.257 1.00 0.00 N ATOM 0 H LYS A 507 -4.711 -8.445 1.541 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.503 -6.986 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -5.439 -7.948 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -5.569 -9.136 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -3.423 -9.533 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -3.120 -8.359 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -1.957 -8.096 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -2.539 -6.680 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -4.631 -6.730 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -4.047 -8.145 6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -2.857 -6.874 8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -2.098 -6.071 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -3.587 -5.509 7.447 1.00 0.00 H new ATOM 810 N VAL A 508 -3.529 -5.610 3.240 1.00 0.00 N ATOM 811 CA VAL A 508 -2.878 -4.374 3.651 1.00 0.00 C ATOM 812 C VAL A 508 -3.560 -3.140 3.067 1.00 0.00 C ATOM 813 O VAL A 508 -3.963 -2.236 3.802 1.00 0.00 O ATOM 814 CB VAL A 508 -1.399 -4.344 3.232 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.739 -3.059 3.709 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.661 -5.560 3.765 1.00 0.00 C ATOM 0 H VAL A 508 -2.914 -6.292 2.796 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.957 -4.350 4.738 1.00 0.00 H new ATOM 0 HB VAL A 508 -1.350 -4.373 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.308 -3.053 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -1.250 -2.203 3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.801 -3.000 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.383 -5.516 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -0.717 -5.571 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -1.119 -6.466 3.369 1.00 0.00 H new ATOM 826 N LEU A 509 -3.642 -3.089 1.749 1.00 0.00 N ATOM 827 CA LEU A 509 -4.211 -1.939 1.055 1.00 0.00 C ATOM 828 C LEU A 509 -5.673 -1.612 1.405 1.00 0.00 C ATOM 829 O LEU A 509 -5.958 -0.516 1.887 1.00 0.00 O ATOM 830 CB LEU A 509 -4.053 -2.117 -0.464 1.00 0.00 C ATOM 831 CG LEU A 509 -5.050 -3.053 -1.141 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.279 -2.281 -1.590 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.401 -3.759 -2.319 1.00 0.00 C ATOM 0 H LEU A 509 -3.320 -3.834 1.131 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.642 -1.079 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.131 -1.136 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.047 -2.487 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.362 -3.808 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -6.981 -2.962 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.756 -1.820 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -5.984 -1.506 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.126 -4.423 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.061 -3.020 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.549 -4.342 -1.969 1.00 0.00 H new ATOM 845 N TRP A 510 -6.602 -2.514 1.105 1.00 0.00 N ATOM 846 CA TRP A 510 -8.024 -2.245 1.333 1.00 0.00 C ATOM 847 C TRP A 510 -8.436 -2.266 2.795 1.00 0.00 C ATOM 848 O TRP A 510 -9.133 -1.375 3.281 1.00 0.00 O ATOM 849 CB TRP A 510 -8.887 -3.240 0.548 1.00 0.00 C ATOM 850 CG TRP A 510 -8.695 -4.662 0.974 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.882 -5.585 0.389 1.00 0.00 C ATOM 852 CD2 TRP A 510 -9.337 -5.328 2.068 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.959 -6.780 1.065 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.851 -6.648 2.096 1.00 0.00 C ATOM 855 CE3 TRP A 510 -10.272 -4.935 3.031 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -9.267 -7.576 3.048 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -10.686 -5.856 3.974 1.00 0.00 C ATOM 858 CH2 TRP A 510 -10.183 -7.163 3.977 1.00 0.00 C ATOM 0 H TRP A 510 -6.402 -3.431 0.707 1.00 0.00 H new ATOM 0 HA TRP A 510 -8.188 -1.227 0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.937 -2.972 0.668 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.654 -3.152 -0.513 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.266 -5.405 -0.480 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.437 -7.626 0.836 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -10.664 -3.929 3.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.881 -8.585 3.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -11.409 -5.563 4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -10.525 -7.860 4.728 1.00 0.00 H new ATOM 869 N SER A 511 -8.044 -3.312 3.468 1.00 0.00 N ATOM 870 CA SER A 511 -8.402 -3.521 4.849 1.00 0.00 C ATOM 871 C SER A 511 -7.858 -2.450 5.758 1.00 0.00 C ATOM 872 O SER A 511 -8.555 -1.961 6.647 1.00 0.00 O ATOM 873 CB SER A 511 -7.910 -4.892 5.317 1.00 0.00 C ATOM 874 OG SER A 511 -8.820 -5.475 6.232 1.00 0.00 O ATOM 0 H SER A 511 -7.462 -4.051 3.073 1.00 0.00 H new ATOM 0 HA SER A 511 -9.490 -3.474 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.783 -5.549 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.932 -4.790 5.787 1.00 0.00 H new ATOM 0 HG SER A 511 -9.546 -5.911 5.739 1.00 0.00 H new ATOM 880 N ALA A 512 -6.585 -2.160 5.602 1.00 0.00 N ATOM 881 CA ALA A 512 -5.936 -1.235 6.487 1.00 0.00 C ATOM 882 C ALA A 512 -6.304 0.234 6.342 1.00 0.00 C ATOM 883 O ALA A 512 -6.949 0.796 7.228 1.00 0.00 O ATOM 884 CB ALA A 512 -4.430 -1.389 6.357 1.00 0.00 C ATOM 0 H ALA A 512 -5.987 -2.551 4.874 1.00 0.00 H new ATOM 0 HA ALA A 512 -6.304 -1.508 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -3.933 -0.688 7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -4.144 -2.407 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -4.130 -1.182 5.330 1.00 0.00 H new ATOM 890 N GLY A 513 -5.801 0.888 5.302 1.00 0.00 N ATOM 891 CA GLY A 513 -6.019 2.321 5.208 1.00 0.00 C ATOM 892 C GLY A 513 -6.792 2.907 4.062 1.00 0.00 C ATOM 893 O GLY A 513 -7.355 3.995 4.197 1.00 0.00 O ATOM 0 H GLY A 513 -5.262 0.470 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -6.522 2.629 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -5.037 2.795 5.208 1.00 0.00 H new ATOM 897 N LEU A 514 -6.654 2.329 2.891 1.00 0.00 N ATOM 898 CA LEU A 514 -7.176 2.995 1.715 1.00 0.00 C ATOM 899 C LEU A 514 -8.534 2.617 1.190 1.00 0.00 C ATOM 900 O LEU A 514 -9.268 3.520 0.786 1.00 0.00 O ATOM 901 CB LEU A 514 -6.143 2.860 0.590 1.00 0.00 C ATOM 902 CG LEU A 514 -5.413 4.147 0.169 1.00 0.00 C ATOM 903 CD1 LEU A 514 -5.822 4.559 -1.236 1.00 0.00 C ATOM 904 CD2 LEU A 514 -5.652 5.294 1.148 1.00 0.00 C ATOM 0 H LEU A 514 -6.201 1.430 2.726 1.00 0.00 H new ATOM 0 HA LEU A 514 -7.344 4.015 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -5.395 2.130 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -6.645 2.450 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 514 -4.346 3.927 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -5.295 5.471 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -5.568 3.764 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -6.897 4.738 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -5.116 6.180 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -6.719 5.512 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -5.292 5.010 2.137 1.00 0.00 H new ATOM 916 N VAL A 515 -8.869 1.350 1.043 1.00 0.00 N ATOM 917 CA VAL A 515 -10.130 1.100 0.373 1.00 0.00 C ATOM 918 C VAL A 515 -10.883 -0.186 0.750 1.00 0.00 C ATOM 919 O VAL A 515 -10.372 -1.088 1.393 1.00 0.00 O ATOM 920 CB VAL A 515 -9.820 1.074 -1.147 1.00 0.00 C ATOM 921 CG1 VAL A 515 -11.074 1.002 -2.006 1.00 0.00 C ATOM 922 CG2 VAL A 515 -8.978 2.271 -1.570 1.00 0.00 C ATOM 0 H VAL A 515 -8.336 0.536 1.350 1.00 0.00 H new ATOM 0 HA VAL A 515 -10.806 1.894 0.690 1.00 0.00 H new ATOM 0 HB VAL A 515 -9.250 0.160 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -10.793 0.987 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -11.629 0.095 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -11.700 1.873 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -8.782 2.218 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -9.516 3.192 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -8.033 2.261 -1.027 1.00 0.00 H new ATOM 932 N ALA A 516 -12.106 -0.234 0.226 1.00 0.00 N ATOM 933 CA ALA A 516 -13.041 -1.345 0.315 1.00 0.00 C ATOM 934 C ALA A 516 -12.560 -2.464 -0.607 1.00 0.00 C ATOM 935 O ALA A 516 -13.266 -3.437 -0.871 1.00 0.00 O ATOM 936 CB ALA A 516 -14.452 -0.903 -0.049 1.00 0.00 C ATOM 0 H ALA A 516 -12.490 0.549 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 516 -13.076 -1.710 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -15.130 -1.753 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.776 -0.119 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.461 -0.520 -1.070 1.00 0.00 H new ATOM 942 N SER A 517 -11.407 -2.199 -1.208 1.00 0.00 N ATOM 943 CA SER A 517 -10.798 -2.982 -2.240 1.00 0.00 C ATOM 944 C SER A 517 -10.500 -4.433 -1.889 1.00 0.00 C ATOM 945 O SER A 517 -9.876 -5.116 -2.696 1.00 0.00 O ATOM 946 CB SER A 517 -9.492 -2.285 -2.646 1.00 0.00 C ATOM 947 OG SER A 517 -9.600 -1.683 -3.922 1.00 0.00 O ATOM 0 H SER A 517 -10.850 -1.380 -0.963 1.00 0.00 H new ATOM 0 HA SER A 517 -11.528 -3.038 -3.047 1.00 0.00 H new ATOM 0 HB2 SER A 517 -9.238 -1.527 -1.905 1.00 0.00 H new ATOM 0 HB3 SER A 517 -8.678 -3.010 -2.652 1.00 0.00 H new ATOM 0 HG SER A 517 -8.753 -1.246 -4.150 1.00 0.00 H new ATOM 953 N LYS A 518 -10.966 -4.969 -0.764 1.00 0.00 N ATOM 954 CA LYS A 518 -10.714 -6.387 -0.549 1.00 0.00 C ATOM 955 C LYS A 518 -11.044 -7.041 -1.890 1.00 0.00 C ATOM 956 O LYS A 518 -10.227 -7.754 -2.472 1.00 0.00 O ATOM 957 CB LYS A 518 -11.610 -6.960 0.559 1.00 0.00 C ATOM 958 CG LYS A 518 -13.058 -6.500 0.481 1.00 0.00 C ATOM 959 CD LYS A 518 -13.938 -7.543 -0.191 1.00 0.00 C ATOM 960 CE LYS A 518 -15.143 -6.904 -0.862 1.00 0.00 C ATOM 961 NZ LYS A 518 -16.279 -6.730 0.085 1.00 0.00 N ATOM 0 H LYS A 518 -11.485 -4.482 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.688 -6.569 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -11.582 -8.048 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -11.200 -6.675 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -13.432 -6.299 1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -13.114 -5.563 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -13.355 -8.090 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -14.274 -8.269 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -14.859 -5.934 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -15.461 -7.522 -1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -17.081 -6.291 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -16.567 -7.658 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -15.984 -6.119 0.873 1.00 0.00 H new ATOM 975 N SER A 519 -12.207 -6.672 -2.420 1.00 0.00 N ATOM 976 CA SER A 519 -12.624 -7.084 -3.752 1.00 0.00 C ATOM 977 C SER A 519 -11.851 -6.283 -4.824 1.00 0.00 C ATOM 978 O SER A 519 -11.201 -6.849 -5.714 1.00 0.00 O ATOM 979 CB SER A 519 -14.130 -6.877 -3.927 1.00 0.00 C ATOM 980 OG SER A 519 -14.834 -8.095 -3.760 1.00 0.00 O ATOM 0 H SER A 519 -12.884 -6.080 -1.938 1.00 0.00 H new ATOM 0 HA SER A 519 -12.401 -8.144 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.486 -6.145 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.332 -6.469 -4.918 1.00 0.00 H new ATOM 0 HG SER A 519 -15.794 -7.936 -3.875 1.00 0.00 H new ATOM 986 N GLU A 520 -11.957 -4.941 -4.729 1.00 0.00 N ATOM 987 CA GLU A 520 -11.316 -4.031 -5.681 1.00 0.00 C ATOM 988 C GLU A 520 -9.802 -4.202 -5.712 1.00 0.00 C ATOM 989 O GLU A 520 -9.197 -4.294 -6.781 1.00 0.00 O ATOM 990 CB GLU A 520 -11.690 -2.574 -5.396 1.00 0.00 C ATOM 991 CG GLU A 520 -12.845 -2.069 -6.245 1.00 0.00 C ATOM 992 CD GLU A 520 -12.392 -1.549 -7.595 1.00 0.00 C ATOM 993 OE1 GLU A 520 -12.190 -2.374 -8.511 1.00 0.00 O ATOM 994 OE2 GLU A 520 -12.240 -0.318 -7.737 1.00 0.00 O ATOM 0 H GLU A 520 -12.485 -4.469 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 520 -11.693 -4.295 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -11.952 -2.474 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -10.819 -1.943 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -13.563 -2.876 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -13.365 -1.275 -5.709 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.202 -4.238 -4.537 1.00 0.00 N ATOM 1002 CA GLY A 521 -7.771 -4.390 -4.412 1.00 0.00 C ATOM 1003 C GLY A 521 -7.276 -5.525 -5.252 1.00 0.00 C ATOM 1004 O GLY A 521 -6.406 -5.335 -6.093 1.00 0.00 O ATOM 0 H GLY A 521 -9.694 -4.163 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.276 -3.467 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.510 -4.565 -3.368 1.00 0.00 H new ATOM 1008 N GLN A 522 -7.858 -6.699 -5.058 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.492 -7.862 -5.842 1.00 0.00 C ATOM 1010 C GLN A 522 -7.485 -7.485 -7.320 1.00 0.00 C ATOM 1011 O GLN A 522 -6.533 -7.778 -8.041 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.466 -9.015 -5.591 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.303 -9.660 -4.224 1.00 0.00 C ATOM 1014 CD GLN A 522 -9.415 -10.642 -3.909 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -10.242 -10.959 -4.764 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -9.441 -11.129 -2.673 1.00 0.00 N ATOM 0 H GLN A 522 -8.586 -6.868 -4.363 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.497 -8.195 -5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.487 -8.646 -5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -8.325 -9.773 -6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.344 -10.176 -4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -8.281 -8.883 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -8.736 -10.839 -1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -10.166 -11.793 -2.402 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.547 -6.807 -7.755 1.00 0.00 N ATOM 1026 CA ARG A 523 -8.656 -6.358 -9.142 1.00 0.00 C ATOM 1027 C ARG A 523 -7.384 -5.627 -9.576 1.00 0.00 C ATOM 1028 O ARG A 523 -6.822 -5.923 -10.624 1.00 0.00 O ATOM 1029 CB ARG A 523 -9.869 -5.444 -9.311 1.00 0.00 C ATOM 1030 CG ARG A 523 -10.521 -5.548 -10.681 1.00 0.00 C ATOM 1031 CD ARG A 523 -10.961 -4.186 -11.196 1.00 0.00 C ATOM 1032 NE ARG A 523 -10.674 -4.020 -12.619 1.00 0.00 N ATOM 1033 CZ ARG A 523 -10.624 -2.840 -13.232 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -10.842 -1.721 -12.552 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -10.355 -2.778 -14.529 1.00 0.00 N ATOM 0 H ARG A 523 -9.343 -6.557 -7.168 1.00 0.00 H new ATOM 0 HA ARG A 523 -8.784 -7.236 -9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -10.607 -5.688 -8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -9.563 -4.412 -9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -9.820 -5.995 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -11.383 -6.212 -10.625 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -12.030 -4.062 -11.025 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -10.455 -3.404 -10.630 1.00 0.00 H new ATOM 0 HE ARG A 523 -10.502 -4.858 -13.175 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -11.049 -1.763 -11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -10.802 -0.819 -13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -10.187 -3.635 -15.056 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -10.317 -1.874 -14.999 1.00 0.00 H new ATOM 1049 N ILE A 524 -6.930 -4.680 -8.757 1.00 0.00 N ATOM 1050 CA ILE A 524 -5.714 -3.928 -9.053 1.00 0.00 C ATOM 1051 C ILE A 524 -4.547 -4.886 -9.222 1.00 0.00 C ATOM 1052 O ILE A 524 -3.893 -4.922 -10.263 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.381 -2.924 -7.934 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -6.611 -2.084 -7.580 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.223 -2.030 -8.351 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -7.239 -1.394 -8.772 1.00 0.00 C ATOM 0 H ILE A 524 -7.386 -4.416 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 524 -5.885 -3.372 -9.975 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.083 -3.482 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -7.355 -2.726 -7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -6.327 -1.332 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -4.000 -1.326 -7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -3.344 -2.643 -8.551 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -4.494 -1.480 -9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -8.104 -0.818 -8.445 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -6.511 -0.725 -9.231 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -7.555 -2.141 -9.500 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.328 -5.694 -8.196 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.284 -6.698 -8.212 1.00 0.00 C ATOM 1070 C ILE A 525 -3.415 -7.506 -9.501 1.00 0.00 C ATOM 1071 O ILE A 525 -2.449 -7.708 -10.237 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.378 -7.646 -6.993 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -3.896 -6.917 -5.747 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.025 -8.257 -6.699 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -3.292 -5.544 -5.542 1.00 0.00 C ATOM 0 H ILE A 525 -4.870 -5.670 -7.332 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.317 -6.198 -8.162 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.088 -8.434 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -4.979 -6.819 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -3.690 -7.528 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.105 -8.922 -5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.686 -8.824 -7.566 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.308 -7.466 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -3.709 -5.094 -4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -2.211 -5.634 -5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -3.521 -4.914 -6.402 1.00 0.00 H new ATOM 1087 N ASN A 526 -4.655 -7.918 -9.776 1.00 0.00 N ATOM 1088 CA ASN A 526 -4.991 -8.661 -10.991 1.00 0.00 C ATOM 1089 C ASN A 526 -4.585 -7.831 -12.189 1.00 0.00 C ATOM 1090 O ASN A 526 -3.896 -8.295 -13.098 1.00 0.00 O ATOM 1091 CB ASN A 526 -6.488 -8.945 -11.043 1.00 0.00 C ATOM 1092 CG ASN A 526 -6.879 -10.164 -10.234 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -7.774 -9.972 -9.271 1.00 0.00 O flip ATOM 1094 ND2 ASN A 526 -6.383 -11.267 -10.469 1.00 0.00 N flip ATOM 0 H ASN A 526 -5.452 -7.746 -9.163 1.00 0.00 H new ATOM 0 HA ASN A 526 -4.461 -9.614 -10.996 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.032 -8.077 -10.670 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -6.791 -9.090 -12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -5.699 -11.369 -11.219 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -6.657 -12.078 -9.914 1.00 0.00 H new ATOM 1101 N ASN A 527 -4.981 -6.568 -12.128 1.00 0.00 N ATOM 1102 CA ASN A 527 -4.642 -5.584 -13.140 1.00 0.00 C ATOM 1103 C ASN A 527 -3.147 -5.693 -13.410 1.00 0.00 C ATOM 1104 O ASN A 527 -2.688 -5.583 -14.546 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.054 -4.174 -12.688 1.00 0.00 C ATOM 1106 CG ASN A 527 -3.907 -3.182 -12.659 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -3.553 -2.740 -11.462 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -3.352 -2.820 -13.696 1.00 0.00 N flip ATOM 0 H ASN A 527 -5.551 -6.197 -11.368 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.187 -5.775 -14.064 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -5.829 -3.800 -13.357 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -5.494 -4.236 -11.693 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -3.661 -3.189 -14.595 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -2.583 -2.151 -13.656 1.00 0.00 H new ATOM 1115 N ASN A 528 -2.402 -5.898 -12.328 1.00 0.00 N ATOM 1116 CA ASN A 528 -0.955 -6.013 -12.385 1.00 0.00 C ATOM 1117 C ASN A 528 -0.298 -4.671 -12.608 1.00 0.00 C ATOM 1118 O ASN A 528 0.694 -4.549 -13.325 1.00 0.00 O ATOM 1119 CB ASN A 528 -0.537 -6.994 -13.485 1.00 0.00 C ATOM 1120 CG ASN A 528 0.855 -7.552 -13.268 1.00 0.00 C ATOM 1121 OD1 ASN A 528 1.022 -8.630 -12.696 1.00 0.00 O ATOM 1122 ND2 ASN A 528 1.865 -6.822 -13.727 1.00 0.00 N ATOM 0 H ASN A 528 -2.788 -5.989 -11.388 1.00 0.00 H new ATOM 0 HA ASN A 528 -0.619 -6.395 -11.421 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -1.252 -7.816 -13.525 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -0.576 -6.490 -14.451 1.00 0.00 H new ATOM 0 HD21 ASN A 528 2.824 -7.149 -13.612 1.00 0.00 H new ATOM 0 HD22 ASN A 528 1.681 -5.934 -14.195 1.00 0.00 H new ATOM 1129 N GLY A 529 -0.853 -3.674 -11.937 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.306 -2.335 -12.010 1.00 0.00 C ATOM 1131 C GLY A 529 0.248 -1.895 -10.668 1.00 0.00 C ATOM 1132 O GLY A 529 0.307 -0.700 -10.374 1.00 0.00 O ATOM 0 H GLY A 529 -1.675 -3.768 -11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 529 0.484 -2.302 -12.761 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.081 -1.640 -12.332 1.00 0.00 H new ATOM 1136 N ALA A 530 0.642 -2.869 -9.841 1.00 0.00 N ATOM 1137 CA ALA A 530 1.175 -2.581 -8.517 1.00 0.00 C ATOM 1138 C ALA A 530 2.457 -3.376 -8.226 1.00 0.00 C ATOM 1139 O ALA A 530 2.709 -4.412 -8.828 1.00 0.00 O ATOM 1140 CB ALA A 530 0.124 -2.895 -7.462 1.00 0.00 C ATOM 0 H ALA A 530 0.600 -3.862 -10.071 1.00 0.00 H new ATOM 0 HA ALA A 530 1.430 -1.522 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.526 -2.678 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -0.761 -2.283 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -0.147 -3.949 -7.521 1.00 0.00 H new ATOM 1146 N TYR A 531 3.232 -2.890 -7.265 1.00 0.00 N ATOM 1147 CA TYR A 531 4.460 -3.545 -6.821 1.00 0.00 C ATOM 1148 C TYR A 531 4.472 -3.562 -5.292 1.00 0.00 C ATOM 1149 O TYR A 531 3.777 -2.758 -4.665 1.00 0.00 O ATOM 1150 CB TYR A 531 5.705 -2.834 -7.381 1.00 0.00 C ATOM 1151 CG TYR A 531 6.603 -2.208 -6.329 1.00 0.00 C ATOM 1152 CD1 TYR A 531 6.296 -0.970 -5.782 1.00 0.00 C ATOM 1153 CD2 TYR A 531 7.755 -2.853 -5.882 1.00 0.00 C ATOM 1154 CE1 TYR A 531 7.104 -0.389 -4.825 1.00 0.00 C ATOM 1155 CE2 TYR A 531 8.567 -2.275 -4.922 1.00 0.00 C ATOM 1156 CZ TYR A 531 8.237 -1.044 -4.399 1.00 0.00 C ATOM 1157 OH TYR A 531 9.044 -0.468 -3.445 1.00 0.00 O ATOM 0 H TYR A 531 3.026 -2.024 -6.767 1.00 0.00 H new ATOM 0 HA TYR A 531 4.487 -4.567 -7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 531 6.289 -3.552 -7.957 1.00 0.00 H new ATOM 0 HB3 TYR A 531 5.382 -2.057 -8.073 1.00 0.00 H new ATOM 0 HD1 TYR A 531 5.408 -0.451 -6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 531 8.018 -3.818 -6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 531 6.848 0.576 -4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 531 9.456 -2.787 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 531 9.801 -1.061 -3.256 1.00 0.00 H new ATOM 1167 N VAL A 532 5.243 -4.464 -4.679 1.00 0.00 N ATOM 1168 CA VAL A 532 5.272 -4.509 -3.219 1.00 0.00 C ATOM 1169 C VAL A 532 6.696 -4.428 -2.662 1.00 0.00 C ATOM 1170 O VAL A 532 7.629 -5.079 -3.153 1.00 0.00 O ATOM 1171 CB VAL A 532 4.530 -5.768 -2.701 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.491 -6.791 -2.110 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.473 -5.378 -1.678 1.00 0.00 C ATOM 0 H VAL A 532 5.834 -5.148 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 532 4.749 -3.626 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 532 4.041 -6.235 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 532 4.930 -7.657 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 532 6.203 -7.105 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 532 6.029 -6.344 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.961 -6.273 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.949 -4.876 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.750 -4.705 -2.140 1.00 0.00 H new ATOM 1183 N GLY A 533 6.837 -3.599 -1.626 1.00 0.00 N ATOM 1184 CA GLY A 533 8.125 -3.402 -0.995 1.00 0.00 C ATOM 1185 C GLY A 533 8.086 -3.453 0.519 1.00 0.00 C ATOM 1186 O GLY A 533 7.060 -3.176 1.141 1.00 0.00 O ATOM 0 H GLY A 533 6.075 -3.060 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.815 -4.165 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.526 -2.437 -1.305 1.00 0.00 H new ATOM 1190 N SER A 534 9.224 -3.813 1.105 1.00 0.00 N ATOM 1191 CA SER A 534 9.360 -3.902 2.561 1.00 0.00 C ATOM 1192 C SER A 534 10.643 -3.241 3.039 1.00 0.00 C ATOM 1193 O SER A 534 11.700 -3.443 2.447 1.00 0.00 O ATOM 1194 CB SER A 534 9.382 -5.355 3.013 1.00 0.00 C ATOM 1195 OG SER A 534 9.547 -5.441 4.418 1.00 0.00 O ATOM 0 H SER A 534 10.073 -4.050 0.592 1.00 0.00 H new ATOM 0 HA SER A 534 8.501 -3.387 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 534 8.454 -5.846 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 534 10.194 -5.884 2.514 1.00 0.00 H new ATOM 0 HG SER A 534 8.734 -5.812 4.821 1.00 0.00 H new ATOM 1201 N ARG A 535 10.567 -2.481 4.126 1.00 0.00 N ATOM 1202 CA ARG A 535 11.763 -1.849 4.666 1.00 0.00 C ATOM 1203 C ARG A 535 11.594 -1.432 6.128 1.00 0.00 C ATOM 1204 O ARG A 535 11.193 -0.306 6.414 1.00 0.00 O ATOM 1205 CB ARG A 535 12.144 -0.654 3.798 1.00 0.00 C ATOM 1206 CG ARG A 535 13.169 0.285 4.425 1.00 0.00 C ATOM 1207 CD ARG A 535 14.259 -0.473 5.171 1.00 0.00 C ATOM 1208 NE ARG A 535 15.595 0.010 4.827 1.00 0.00 N ATOM 1209 CZ ARG A 535 16.138 -0.109 3.618 1.00 0.00 C ATOM 1210 NH1 ARG A 535 15.464 -0.693 2.635 1.00 0.00 N ATOM 1211 NH2 ARG A 535 17.358 0.357 3.390 1.00 0.00 N ATOM 0 H ARG A 535 9.708 -2.290 4.641 1.00 0.00 H new ATOM 0 HA ARG A 535 12.568 -2.584 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 535 12.539 -1.021 2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.242 -0.086 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 535 13.622 0.898 3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 535 12.665 0.964 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 535 14.102 -0.371 6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 535 14.186 -1.535 4.938 1.00 0.00 H new ATOM 0 HE ARG A 535 16.143 0.465 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 535 14.525 -1.053 2.804 1.00 0.00 H new ATOM 0 HH12 ARG A 535 15.885 -0.781 1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 535 17.881 0.807 4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 535 17.774 0.266 2.463 1.00 0.00 H new ATOM 1401 N ASP A 549 14.966 -8.355 2.826 1.00 0.00 N ATOM 1402 CA ASP A 549 13.872 -7.904 3.664 1.00 0.00 C ATOM 1403 C ASP A 549 13.974 -6.398 3.853 1.00 0.00 C ATOM 1404 O ASP A 549 12.975 -5.718 4.087 1.00 0.00 O ATOM 1405 CB ASP A 549 13.904 -8.612 5.020 1.00 0.00 C ATOM 1406 CG ASP A 549 15.245 -8.473 5.712 1.00 0.00 C ATOM 1407 OD1 ASP A 549 16.281 -8.691 5.050 1.00 0.00 O ATOM 1408 OD2 ASP A 549 15.259 -8.146 6.918 1.00 0.00 O ATOM 0 HA ASP A 549 12.927 -8.147 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 549 13.123 -8.201 5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 549 13.678 -9.669 4.880 1.00 0.00 H new ATOM 1413 N ASP A 550 15.199 -5.880 3.730 1.00 0.00 N ATOM 1414 CA ASP A 550 15.438 -4.456 3.867 1.00 0.00 C ATOM 1415 C ASP A 550 14.623 -3.709 2.824 1.00 0.00 C ATOM 1416 O ASP A 550 13.931 -2.741 3.124 1.00 0.00 O ATOM 1417 CB ASP A 550 16.926 -4.139 3.705 1.00 0.00 C ATOM 1418 CG ASP A 550 17.669 -4.168 5.026 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.229 -4.895 5.940 1.00 0.00 O ATOM 1420 OD2 ASP A 550 18.694 -3.463 5.146 1.00 0.00 O ATOM 0 H ASP A 550 16.035 -6.432 3.536 1.00 0.00 H new ATOM 0 HA ASP A 550 15.133 -4.138 4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 550 17.376 -4.859 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 550 17.038 -3.155 3.250 1.00 0.00 H new ATOM 1425 N LEU A 551 14.693 -4.200 1.597 1.00 0.00 N ATOM 1426 CA LEU A 551 13.941 -3.629 0.494 1.00 0.00 C ATOM 1427 C LEU A 551 13.233 -4.746 -0.251 1.00 0.00 C ATOM 1428 O LEU A 551 13.802 -5.814 -0.455 1.00 0.00 O ATOM 1429 CB LEU A 551 14.868 -2.873 -0.460 1.00 0.00 C ATOM 1430 CG LEU A 551 14.264 -2.554 -1.833 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.228 -1.446 -1.720 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.356 -2.166 -2.819 1.00 0.00 C ATOM 0 H LEU A 551 15.270 -5.001 1.340 1.00 0.00 H new ATOM 0 HA LEU A 551 13.210 -2.923 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.169 -1.939 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.773 -3.462 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 551 13.767 -3.450 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.812 -1.235 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.429 -1.762 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.699 -0.546 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 551 14.909 -1.943 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.882 -1.285 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 551 16.060 -2.991 -2.926 1.00 0.00 H new ATOM 1444 N THR A 552 12.002 -4.514 -0.667 1.00 0.00 N ATOM 1445 CA THR A 552 11.276 -5.537 -1.399 1.00 0.00 C ATOM 1446 C THR A 552 10.596 -4.975 -2.636 1.00 0.00 C ATOM 1447 O THR A 552 10.136 -3.835 -2.658 1.00 0.00 O ATOM 1448 CB THR A 552 10.252 -6.241 -0.506 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.853 -6.679 0.698 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.621 -7.449 -1.162 1.00 0.00 C ATOM 0 H THR A 552 11.491 -3.644 -0.515 1.00 0.00 H new ATOM 0 HA THR A 552 12.013 -6.271 -1.726 1.00 0.00 H new ATOM 0 HB THR A 552 9.477 -5.499 -0.315 1.00 0.00 H new ATOM 0 HG1 THR A 552 10.766 -7.652 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.905 -7.903 -0.477 1.00 0.00 H new ATOM 0 HG22 THR A 552 9.107 -7.142 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 552 10.396 -8.175 -1.410 1.00 0.00 H new ATOM 1458 N PHE A 553 10.502 -5.814 -3.641 1.00 0.00 N ATOM 1459 CA PHE A 553 9.828 -5.481 -4.873 1.00 0.00 C ATOM 1460 C PHE A 553 8.949 -6.655 -5.248 1.00 0.00 C ATOM 1461 O PHE A 553 9.380 -7.795 -5.160 1.00 0.00 O ATOM 1462 CB PHE A 553 10.836 -5.185 -5.987 1.00 0.00 C ATOM 1463 CG PHE A 553 11.203 -3.733 -6.097 1.00 0.00 C ATOM 1464 CD1 PHE A 553 12.178 -3.187 -5.277 1.00 0.00 C ATOM 1465 CD2 PHE A 553 10.574 -2.913 -7.021 1.00 0.00 C ATOM 1466 CE1 PHE A 553 12.519 -1.852 -5.376 1.00 0.00 C ATOM 1467 CE2 PHE A 553 10.911 -1.577 -7.124 1.00 0.00 C ATOM 1468 CZ PHE A 553 11.884 -1.046 -6.301 1.00 0.00 C ATOM 0 H PHE A 553 10.895 -6.755 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 553 9.226 -4.582 -4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.741 -5.767 -5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.422 -5.519 -6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 553 12.677 -3.813 -4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 553 9.812 -3.323 -7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 553 13.281 -1.439 -4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 553 10.414 -0.949 -7.848 1.00 0.00 H new ATOM 0 HZ PHE A 553 12.148 -0.002 -6.380 1.00 0.00 H new ATOM 1478 N THR A 554 7.742 -6.408 -5.681 1.00 0.00 N ATOM 1479 CA THR A 554 6.884 -7.503 -6.079 1.00 0.00 C ATOM 1480 C THR A 554 6.239 -7.183 -7.407 1.00 0.00 C ATOM 1481 O THR A 554 5.824 -6.051 -7.644 1.00 0.00 O ATOM 1482 CB THR A 554 5.848 -7.808 -4.993 1.00 0.00 C ATOM 1483 OG1 THR A 554 6.451 -8.549 -3.946 1.00 0.00 O ATOM 1484 CG2 THR A 554 4.655 -8.608 -5.477 1.00 0.00 C ATOM 0 H THR A 554 7.332 -5.478 -5.768 1.00 0.00 H new ATOM 0 HA THR A 554 7.483 -8.406 -6.202 1.00 0.00 H new ATOM 0 HB THR A 554 5.488 -6.834 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 554 7.425 -8.541 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.971 -8.780 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 554 4.140 -8.055 -6.262 1.00 0.00 H new ATOM 0 HG23 THR A 554 4.995 -9.566 -5.871 1.00 0.00 H new ATOM 1492 N PRO A 555 6.143 -8.166 -8.302 1.00 0.00 N ATOM 1493 CA PRO A 555 5.540 -7.951 -9.598 1.00 0.00 C ATOM 1494 C PRO A 555 4.028 -8.065 -9.544 1.00 0.00 C ATOM 1495 O PRO A 555 3.383 -8.264 -10.570 1.00 0.00 O ATOM 1496 CB PRO A 555 6.164 -9.052 -10.437 1.00 0.00 C ATOM 1497 CG PRO A 555 6.351 -10.182 -9.483 1.00 0.00 C ATOM 1498 CD PRO A 555 6.614 -9.557 -8.135 1.00 0.00 C ATOM 0 HA PRO A 555 5.717 -6.952 -9.997 1.00 0.00 H new ATOM 0 HB2 PRO A 555 5.516 -9.335 -11.267 1.00 0.00 H new ATOM 0 HB3 PRO A 555 7.113 -8.734 -10.868 1.00 0.00 H new ATOM 0 HG2 PRO A 555 5.465 -10.816 -9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 555 7.185 -10.815 -9.788 1.00 0.00 H new ATOM 0 HD2 PRO A 555 6.072 -10.072 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.672 -9.594 -7.875 1.00 0.00 H new ATOM 1506 N ILE A 556 3.464 -7.886 -8.343 1.00 0.00 N ATOM 1507 CA ILE A 556 2.026 -7.911 -8.168 1.00 0.00 C ATOM 1508 C ILE A 556 1.384 -9.266 -8.494 1.00 0.00 C ATOM 1509 O ILE A 556 0.247 -9.318 -8.966 1.00 0.00 O ATOM 1510 CB ILE A 556 1.351 -6.781 -8.951 1.00 0.00 C ATOM 1511 CG1 ILE A 556 0.168 -6.211 -8.171 1.00 0.00 C ATOM 1512 CG2 ILE A 556 0.907 -7.270 -10.297 1.00 0.00 C ATOM 1513 CD1 ILE A 556 0.512 -5.779 -6.760 1.00 0.00 C ATOM 0 H ILE A 556 3.991 -7.723 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 556 1.858 -7.750 -7.103 1.00 0.00 H new ATOM 0 HB ILE A 556 2.079 -5.983 -9.095 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.234 -5.356 -8.714 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.621 -6.961 -8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.429 -6.455 -10.841 1.00 0.00 H new ATOM 0 HG22 ILE A 556 1.771 -7.624 -10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.197 -8.087 -10.171 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.380 -5.386 -6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.885 -6.635 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 556 1.278 -5.005 -6.793 1.00 0.00 H new ATOM 1525 N LYS A 557 2.091 -10.358 -8.247 1.00 0.00 N ATOM 1526 CA LYS A 557 1.539 -11.676 -8.540 1.00 0.00 C ATOM 1527 C LYS A 557 1.126 -12.280 -7.219 1.00 0.00 C ATOM 1528 O LYS A 557 1.905 -12.346 -6.269 1.00 0.00 O ATOM 1529 CB LYS A 557 2.575 -12.561 -9.239 1.00 0.00 C ATOM 1530 CG LYS A 557 1.976 -13.481 -10.290 1.00 0.00 C ATOM 1531 CD LYS A 557 2.895 -14.654 -10.591 1.00 0.00 C ATOM 1532 CE LYS A 557 2.105 -15.923 -10.865 1.00 0.00 C ATOM 1533 NZ LYS A 557 1.449 -16.447 -9.635 1.00 0.00 N ATOM 0 H LYS A 557 3.031 -10.362 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 557 0.687 -11.595 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.326 -11.926 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 557 3.090 -13.164 -8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.012 -13.852 -9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 557 1.791 -12.918 -11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 557 3.518 -14.418 -11.454 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.567 -14.817 -9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.348 -15.722 -11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 557 2.771 -16.684 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.937 -17.310 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.498 -15.730 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 0.453 -16.667 -9.839 1.00 0.00 H new ATOM 1547 N THR A 558 -0.168 -12.575 -7.135 1.00 0.00 N ATOM 1548 CA THR A 558 -0.764 -13.006 -5.889 1.00 0.00 C ATOM 1549 C THR A 558 -0.159 -14.248 -5.256 1.00 0.00 C ATOM 1550 O THR A 558 -0.291 -15.370 -5.744 1.00 0.00 O ATOM 1551 CB THR A 558 -2.261 -13.233 -6.095 1.00 0.00 C ATOM 1552 OG1 THR A 558 -2.874 -13.664 -4.893 1.00 0.00 O ATOM 1553 CG2 THR A 558 -2.571 -14.262 -7.161 1.00 0.00 C ATOM 0 H THR A 558 -0.818 -12.521 -7.919 1.00 0.00 H new ATOM 0 HA THR A 558 -0.559 -12.197 -5.188 1.00 0.00 H new ATOM 0 HB THR A 558 -2.656 -12.269 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 558 -3.832 -13.802 -5.046 1.00 0.00 H new ATOM 0 HG21 THR A 558 -3.651 -14.374 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 558 -2.155 -13.935 -8.114 1.00 0.00 H new ATOM 0 HG23 THR A 558 -2.130 -15.219 -6.882 1.00 0.00 H new ATOM 1561 N TRP A 559 0.389 -13.992 -4.075 1.00 0.00 N ATOM 1562 CA TRP A 559 0.931 -14.986 -3.170 1.00 0.00 C ATOM 1563 C TRP A 559 0.452 -14.523 -1.799 1.00 0.00 C ATOM 1564 O TRP A 559 0.837 -13.440 -1.357 1.00 0.00 O ATOM 1565 CB TRP A 559 2.463 -15.053 -3.254 1.00 0.00 C ATOM 1566 CG TRP A 559 3.001 -14.822 -4.641 1.00 0.00 C ATOM 1567 CD1 TRP A 559 2.507 -15.325 -5.811 1.00 0.00 C ATOM 1568 CD2 TRP A 559 4.139 -14.030 -5.001 1.00 0.00 C ATOM 1569 NE1 TRP A 559 3.257 -14.880 -6.873 1.00 0.00 N ATOM 1570 CE2 TRP A 559 4.267 -14.087 -6.401 1.00 0.00 C ATOM 1571 CE3 TRP A 559 5.058 -13.275 -4.273 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 5.276 -13.417 -7.085 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 6.063 -12.611 -4.953 1.00 0.00 C ATOM 1574 CH2 TRP A 559 6.164 -12.684 -6.347 1.00 0.00 C ATOM 0 H TRP A 559 0.469 -13.043 -3.710 1.00 0.00 H new ATOM 0 HA TRP A 559 0.600 -15.998 -3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.888 -14.310 -2.580 1.00 0.00 H new ATOM 0 HB3 TRP A 559 2.796 -16.030 -2.902 1.00 0.00 H new ATOM 0 HD1 TRP A 559 1.651 -15.978 -5.890 1.00 0.00 H new ATOM 0 HE1 TRP A 559 3.088 -15.104 -7.854 1.00 0.00 H new ATOM 0 HE3 TRP A 559 4.986 -13.210 -3.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 5.355 -13.474 -8.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 6.782 -12.026 -4.399 1.00 0.00 H new ATOM 0 HH2 TRP A 559 6.958 -12.152 -6.849 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.452 -15.252 -1.166 1.00 0.00 N ATOM 1586 CA ASN A 560 -1.014 -14.763 0.090 1.00 0.00 C ATOM 1587 C ASN A 560 -0.032 -14.741 1.256 1.00 0.00 C ATOM 1588 O ASN A 560 0.429 -13.676 1.660 1.00 0.00 O ATOM 1589 CB ASN A 560 -2.233 -15.605 0.470 1.00 0.00 C ATOM 1590 CG ASN A 560 -3.335 -15.529 -0.569 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -3.831 -16.552 -1.040 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -3.724 -14.312 -0.931 1.00 0.00 N ATOM 0 H ASN A 560 -0.806 -16.155 -1.484 1.00 0.00 H new ATOM 0 HA ASN A 560 -1.291 -13.725 -0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -1.928 -16.644 0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.620 -15.266 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -4.462 -14.198 -1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -3.285 -13.491 -0.514 1.00 0.00 H new ATOM 1599 N ALA A 561 0.250 -15.904 1.816 1.00 0.00 N ATOM 1600 CA ALA A 561 1.138 -16.010 2.969 1.00 0.00 C ATOM 1601 C ALA A 561 2.624 -15.825 2.666 1.00 0.00 C ATOM 1602 O ALA A 561 3.323 -15.098 3.376 1.00 0.00 O ATOM 1603 CB ALA A 561 0.881 -17.303 3.698 1.00 0.00 C ATOM 0 H ALA A 561 -0.124 -16.796 1.491 1.00 0.00 H new ATOM 0 HA ALA A 561 0.892 -15.164 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.548 -17.375 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -0.154 -17.329 4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 561 1.063 -18.142 3.026 1.00 0.00 H new ATOM 1609 N SER A 562 3.120 -16.516 1.656 1.00 0.00 N ATOM 1610 CA SER A 562 4.538 -16.451 1.316 1.00 0.00 C ATOM 1611 C SER A 562 5.054 -15.015 1.212 1.00 0.00 C ATOM 1612 O SER A 562 6.039 -14.647 1.863 1.00 0.00 O ATOM 1613 CB SER A 562 4.799 -17.189 0.002 1.00 0.00 C ATOM 1614 OG SER A 562 6.024 -17.900 0.052 1.00 0.00 O ATOM 0 H SER A 562 2.568 -17.128 1.056 1.00 0.00 H new ATOM 0 HA SER A 562 5.081 -16.933 2.129 1.00 0.00 H new ATOM 0 HB2 SER A 562 3.981 -17.881 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 562 4.822 -16.475 -0.821 1.00 0.00 H new ATOM 0 HG SER A 562 6.167 -18.365 -0.799 1.00 0.00 H new ATOM 1620 N LYS A 563 4.402 -14.212 0.384 1.00 0.00 N ATOM 1621 CA LYS A 563 4.825 -12.832 0.185 1.00 0.00 C ATOM 1622 C LYS A 563 4.581 -11.978 1.414 1.00 0.00 C ATOM 1623 O LYS A 563 5.458 -11.235 1.843 1.00 0.00 O ATOM 1624 CB LYS A 563 4.125 -12.210 -1.024 1.00 0.00 C ATOM 1625 CG LYS A 563 5.003 -11.249 -1.818 1.00 0.00 C ATOM 1626 CD LYS A 563 5.729 -10.259 -0.919 1.00 0.00 C ATOM 1627 CE LYS A 563 7.106 -10.773 -0.525 1.00 0.00 C ATOM 1628 NZ LYS A 563 8.199 -9.983 -1.157 1.00 0.00 N ATOM 0 H LYS A 563 3.583 -14.489 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 563 5.899 -12.859 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 563 3.786 -13.007 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 563 3.237 -11.678 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 563 5.733 -11.818 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 563 4.388 -10.704 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 563 5.829 -9.304 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 563 5.137 -10.077 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 563 7.211 -10.734 0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 563 7.200 -11.819 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 8.996 -9.901 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 8.517 -10.462 -2.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 7.848 -9.033 -1.395 1.00 0.00 H new ATOM 1642 N THR A 564 3.384 -12.058 1.965 1.00 0.00 N ATOM 1643 CA THR A 564 3.031 -11.257 3.130 1.00 0.00 C ATOM 1644 C THR A 564 4.084 -11.366 4.230 1.00 0.00 C ATOM 1645 O THR A 564 4.828 -10.425 4.478 1.00 0.00 O ATOM 1646 CB THR A 564 1.653 -11.653 3.652 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.341 -10.932 4.821 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.513 -13.110 3.971 1.00 0.00 C ATOM 0 H THR A 564 2.639 -12.667 1.628 1.00 0.00 H new ATOM 0 HA THR A 564 2.997 -10.213 2.818 1.00 0.00 H new ATOM 0 HB THR A 564 0.969 -11.419 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 564 0.383 -11.014 5.010 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.505 -13.307 4.336 1.00 0.00 H new ATOM 0 HG22 THR A 564 1.695 -13.698 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.237 -13.386 4.738 1.00 0.00 H new ATOM 1656 N GLN A 565 4.156 -12.513 4.880 1.00 0.00 N ATOM 1657 CA GLN A 565 5.123 -12.726 5.946 1.00 0.00 C ATOM 1658 C GLN A 565 6.530 -12.297 5.526 1.00 0.00 C ATOM 1659 O GLN A 565 7.234 -11.629 6.282 1.00 0.00 O ATOM 1660 CB GLN A 565 5.131 -14.195 6.374 1.00 0.00 C ATOM 1661 CG GLN A 565 5.120 -14.387 7.883 1.00 0.00 C ATOM 1662 CD GLN A 565 6.178 -13.559 8.587 1.00 0.00 C ATOM 1663 OE1 GLN A 565 5.830 -12.324 8.935 1.00 0.00 O flip ATOM 1664 NE2 GLN A 565 7.295 -14.022 8.816 1.00 0.00 N flip ATOM 0 H GLN A 565 3.555 -13.315 4.689 1.00 0.00 H new ATOM 0 HA GLN A 565 4.821 -12.107 6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.262 -14.695 5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 565 6.015 -14.681 5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 565 4.137 -14.120 8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 565 5.278 -15.441 8.112 1.00 0.00 H new ATOM 0 HE21 GLN A 565 7.520 -14.975 8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 565 7.996 -13.452 9.290 1.00 0.00 H new ATOM 1673 N GLU A 566 6.948 -12.711 4.335 1.00 0.00 N ATOM 1674 CA GLU A 566 8.287 -12.398 3.838 1.00 0.00 C ATOM 1675 C GLU A 566 8.633 -10.910 3.953 1.00 0.00 C ATOM 1676 O GLU A 566 9.605 -10.541 4.611 1.00 0.00 O ATOM 1677 CB GLU A 566 8.427 -12.843 2.378 1.00 0.00 C ATOM 1678 CG GLU A 566 9.699 -12.344 1.702 1.00 0.00 C ATOM 1679 CD GLU A 566 10.297 -13.369 0.757 1.00 0.00 C ATOM 1680 OE1 GLU A 566 10.821 -14.392 1.245 1.00 0.00 O ATOM 1681 OE2 GLU A 566 10.240 -13.148 -0.471 1.00 0.00 O ATOM 0 H GLU A 566 6.380 -13.265 3.694 1.00 0.00 H new ATOM 0 HA GLU A 566 8.988 -12.945 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.408 -13.932 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 566 7.564 -12.487 1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 566 9.478 -11.431 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.434 -12.085 2.464 1.00 0.00 H new ATOM 1688 N PHE A 567 7.869 -10.071 3.268 1.00 0.00 N ATOM 1689 CA PHE A 567 8.133 -8.638 3.246 1.00 0.00 C ATOM 1690 C PHE A 567 7.295 -7.854 4.258 1.00 0.00 C ATOM 1691 O PHE A 567 7.723 -6.824 4.772 1.00 0.00 O ATOM 1692 CB PHE A 567 7.898 -8.111 1.823 1.00 0.00 C ATOM 1693 CG PHE A 567 6.579 -7.411 1.628 1.00 0.00 C ATOM 1694 CD1 PHE A 567 5.385 -8.072 1.866 1.00 0.00 C ATOM 1695 CD2 PHE A 567 6.538 -6.094 1.215 1.00 0.00 C ATOM 1696 CE1 PHE A 567 4.176 -7.428 1.692 1.00 0.00 C ATOM 1697 CE2 PHE A 567 5.333 -5.443 1.038 1.00 0.00 C ATOM 1698 CZ PHE A 567 4.150 -6.112 1.278 1.00 0.00 C ATOM 0 H PHE A 567 7.059 -10.358 2.719 1.00 0.00 H new ATOM 0 HA PHE A 567 9.172 -8.488 3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 567 8.703 -7.422 1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 567 7.959 -8.946 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 567 5.400 -9.102 2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 567 7.461 -5.566 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 567 3.252 -7.954 1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 567 5.316 -4.413 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 567 3.205 -5.606 1.142 1.00 0.00 H new ATOM 1708 N ILE A 568 6.105 -8.342 4.522 1.00 0.00 N ATOM 1709 CA ILE A 568 5.182 -7.702 5.451 1.00 0.00 C ATOM 1710 C ILE A 568 5.584 -7.858 6.885 1.00 0.00 C ATOM 1711 O ILE A 568 4.828 -7.483 7.781 1.00 0.00 O ATOM 1712 CB ILE A 568 3.722 -8.145 5.233 1.00 0.00 C ATOM 1713 CG1 ILE A 568 2.821 -6.923 5.169 1.00 0.00 C ATOM 1714 CG2 ILE A 568 3.247 -9.099 6.325 1.00 0.00 C ATOM 1715 CD1 ILE A 568 3.292 -5.884 4.184 1.00 0.00 C ATOM 0 H ILE A 568 5.742 -9.197 4.101 1.00 0.00 H new ATOM 0 HA ILE A 568 5.240 -6.638 5.222 1.00 0.00 H new ATOM 0 HB ILE A 568 3.672 -8.686 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 568 1.813 -7.238 4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 568 2.761 -6.473 6.160 1.00 0.00 H new ATOM 0 HG21 ILE A 568 2.213 -9.386 6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 568 3.876 -9.989 6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.312 -8.604 7.294 1.00 0.00 H new ATOM 0 HD11 ILE A 568 2.603 -5.039 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 568 4.288 -5.542 4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 568 3.326 -6.319 3.185 1.00 0.00 H new ATOM 1727 N ILE A 569 6.768 -8.374 7.127 1.00 0.00 N ATOM 1728 CA ILE A 569 7.196 -8.511 8.492 1.00 0.00 C ATOM 1729 C ILE A 569 7.037 -7.131 9.084 1.00 0.00 C ATOM 1730 O ILE A 569 6.513 -6.962 10.185 1.00 0.00 O ATOM 1731 CB ILE A 569 8.672 -8.944 8.585 1.00 0.00 C ATOM 1732 CG1 ILE A 569 9.567 -7.992 7.772 1.00 0.00 C ATOM 1733 CG2 ILE A 569 8.839 -10.378 8.105 1.00 0.00 C ATOM 1734 CD1 ILE A 569 10.085 -6.819 8.573 1.00 0.00 C ATOM 0 H ILE A 569 7.429 -8.695 6.420 1.00 0.00 H new ATOM 0 HA ILE A 569 6.616 -9.273 9.012 1.00 0.00 H new ATOM 0 HB ILE A 569 8.980 -8.894 9.629 1.00 0.00 H new ATOM 0 HG12 ILE A 569 10.413 -8.552 7.375 1.00 0.00 H new ATOM 0 HG13 ILE A 569 9.003 -7.618 6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 569 9.888 -10.666 8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 569 8.236 -11.042 8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 569 8.513 -10.455 7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 569 10.708 -6.191 7.937 1.00 0.00 H new ATOM 0 HD12 ILE A 569 9.245 -6.235 8.948 1.00 0.00 H new ATOM 0 HD13 ILE A 569 10.676 -7.184 9.413 1.00 0.00 H new ATOM 1746 N ASP A 570 7.369 -6.141 8.257 1.00 0.00 N ATOM 1747 CA ASP A 570 7.143 -4.750 8.585 1.00 0.00 C ATOM 1748 C ASP A 570 7.287 -4.488 10.071 1.00 0.00 C ATOM 1749 O ASP A 570 6.329 -4.047 10.709 1.00 0.00 O ATOM 1750 CB ASP A 570 5.745 -4.343 8.078 1.00 0.00 C ATOM 1751 CG ASP A 570 5.226 -3.037 8.659 1.00 0.00 C ATOM 1752 OD1 ASP A 570 6.030 -2.265 9.211 1.00 0.00 O ATOM 1753 OD2 ASP A 570 4.005 -2.796 8.573 1.00 0.00 O ATOM 0 H ASP A 570 7.801 -6.289 7.345 1.00 0.00 H new ATOM 0 HA ASP A 570 7.902 -4.142 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.776 -4.257 6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 570 5.039 -5.139 8.315 1.00 0.00 H new ATOM 1758 N GLY A 571 8.450 -4.745 10.653 1.00 0.00 N ATOM 1759 CA GLY A 571 8.548 -4.466 12.061 1.00 0.00 C ATOM 1760 C GLY A 571 8.163 -3.029 12.272 1.00 0.00 C ATOM 1761 O GLY A 571 7.317 -2.713 13.110 1.00 0.00 O ATOM 0 H GLY A 571 9.283 -5.121 10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 571 7.890 -5.125 12.628 1.00 0.00 H new ATOM 0 HA3 GLY A 571 9.563 -4.646 12.416 1.00 0.00 H new ATOM 1765 N ASP A 572 8.720 -2.163 11.429 1.00 0.00 N ATOM 1766 CA ASP A 572 8.357 -0.765 11.448 1.00 0.00 C ATOM 1767 C ASP A 572 7.791 -0.288 10.102 1.00 0.00 C ATOM 1768 O ASP A 572 7.183 0.781 10.045 1.00 0.00 O ATOM 1769 CB ASP A 572 9.572 0.085 11.825 1.00 0.00 C ATOM 1770 CG ASP A 572 9.849 0.069 13.315 1.00 0.00 C ATOM 1771 OD1 ASP A 572 8.915 0.355 14.095 1.00 0.00 O ATOM 1772 OD2 ASP A 572 10.998 -0.228 13.703 1.00 0.00 O ATOM 0 H ASP A 572 9.420 -2.412 10.730 1.00 0.00 H new ATOM 0 HA ASP A 572 7.571 -0.647 12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.449 -0.282 11.291 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.408 1.112 11.500 1.00 0.00 H new ATOM 1777 N LEU A 573 8.014 -1.040 8.997 1.00 0.00 N ATOM 1778 CA LEU A 573 7.523 -0.576 7.702 1.00 0.00 C ATOM 1779 C LEU A 573 6.952 -1.636 6.786 1.00 0.00 C ATOM 1780 O LEU A 573 7.538 -2.689 6.565 1.00 0.00 O ATOM 1781 CB LEU A 573 8.620 0.173 6.962 1.00 0.00 C ATOM 1782 CG LEU A 573 8.142 0.984 5.754 1.00 0.00 C ATOM 1783 CD1 LEU A 573 8.249 2.474 6.032 1.00 0.00 C ATOM 1784 CD2 LEU A 573 8.939 0.611 4.512 1.00 0.00 C ATOM 0 H LEU A 573 8.510 -1.931 8.984 1.00 0.00 H new ATOM 0 HA LEU A 573 6.684 0.072 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.116 0.847 7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.368 -0.545 6.627 1.00 0.00 H new ATOM 0 HG LEU A 573 7.094 0.746 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.905 3.032 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.632 2.729 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.287 2.732 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.586 1.197 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 573 9.996 0.819 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 573 8.807 -0.450 4.300 1.00 0.00 H new ATOM 1796 N LEU A 574 5.850 -1.269 6.177 1.00 0.00 N ATOM 1797 CA LEU A 574 5.213 -2.068 5.162 1.00 0.00 C ATOM 1798 C LEU A 574 4.857 -1.095 4.047 1.00 0.00 C ATOM 1799 O LEU A 574 4.316 -0.024 4.325 1.00 0.00 O ATOM 1800 CB LEU A 574 3.972 -2.778 5.727 1.00 0.00 C ATOM 1801 CG LEU A 574 2.678 -2.673 4.905 1.00 0.00 C ATOM 1802 CD1 LEU A 574 2.914 -3.047 3.445 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.599 -3.557 5.518 1.00 0.00 C ATOM 0 H LEU A 574 5.365 -0.394 6.377 1.00 0.00 H new ATOM 0 HA LEU A 574 5.862 -2.862 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 574 4.212 -3.834 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.776 -2.378 6.722 1.00 0.00 H new ATOM 0 HG LEU A 574 2.343 -1.636 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 574 1.979 -2.962 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 574 3.654 -2.374 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 574 3.278 -4.073 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 574 0.685 -3.477 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 574 1.937 -4.593 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.402 -3.234 6.540 1.00 0.00 H new ATOM 1815 N ILE A 575 5.129 -1.431 2.803 1.00 0.00 N ATOM 1816 CA ILE A 575 4.786 -0.521 1.707 1.00 0.00 C ATOM 1817 C ILE A 575 4.095 -1.241 0.576 1.00 0.00 C ATOM 1818 O ILE A 575 4.517 -2.315 0.141 1.00 0.00 O ATOM 1819 CB ILE A 575 6.005 0.222 1.103 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.317 -0.276 1.705 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.867 1.722 1.300 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.531 0.502 1.241 1.00 0.00 C ATOM 0 H ILE A 575 5.575 -2.303 2.520 1.00 0.00 H new ATOM 0 HA ILE A 575 4.122 0.210 2.169 1.00 0.00 H new ATOM 0 HB ILE A 575 6.026 0.009 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.253 -0.219 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.449 -1.327 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.732 2.227 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 575 4.960 2.072 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.810 1.945 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.426 0.093 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.620 0.425 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.421 1.549 1.522 1.00 0.00 H new ATOM 1834 N LEU A 576 3.062 -0.606 0.068 1.00 0.00 N ATOM 1835 CA LEU A 576 2.327 -1.123 -1.052 1.00 0.00 C ATOM 1836 C LEU A 576 2.132 0.002 -2.033 1.00 0.00 C ATOM 1837 O LEU A 576 1.766 1.109 -1.637 1.00 0.00 O ATOM 1838 CB LEU A 576 0.963 -1.657 -0.591 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.280 -1.016 -1.252 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.757 -1.862 -2.430 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.382 -0.865 -0.223 1.00 0.00 C ATOM 0 H LEU A 576 2.712 0.284 0.424 1.00 0.00 H new ATOM 0 HA LEU A 576 2.874 -1.944 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.935 -2.731 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.887 -1.518 0.487 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.012 -0.030 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.632 -1.395 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 576 0.039 -1.935 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -1.019 -2.860 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.257 -0.413 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.647 -1.845 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.035 -0.228 0.590 1.00 0.00 H new ATOM 1853 N LYS A 577 2.335 -0.256 -3.298 1.00 0.00 N ATOM 1854 CA LYS A 577 2.116 0.791 -4.274 1.00 0.00 C ATOM 1855 C LYS A 577 1.240 0.294 -5.402 1.00 0.00 C ATOM 1856 O LYS A 577 1.460 -0.789 -5.940 1.00 0.00 O ATOM 1857 CB LYS A 577 3.448 1.291 -4.824 1.00 0.00 C ATOM 1858 CG LYS A 577 4.303 2.001 -3.793 1.00 0.00 C ATOM 1859 CD LYS A 577 5.501 2.680 -4.438 1.00 0.00 C ATOM 1860 CE LYS A 577 5.126 4.025 -5.040 1.00 0.00 C ATOM 1861 NZ LYS A 577 5.614 4.162 -6.440 1.00 0.00 N ATOM 0 H LYS A 577 2.643 -1.153 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 577 1.607 1.618 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 577 4.006 0.445 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 577 3.256 1.970 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 577 3.701 2.743 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 577 4.647 1.284 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 577 6.285 2.820 -3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 577 5.911 2.035 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 577 4.043 4.142 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 577 5.544 4.825 -4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 5.338 5.092 -6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 6.650 4.076 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 5.195 3.414 -7.028 1.00 0.00 H new ATOM 1875 N LEU A 578 0.273 1.107 -5.790 1.00 0.00 N ATOM 1876 CA LEU A 578 -0.593 0.755 -6.891 1.00 0.00 C ATOM 1877 C LEU A 578 -0.541 1.878 -7.910 1.00 0.00 C ATOM 1878 O LEU A 578 -0.673 3.063 -7.562 1.00 0.00 O ATOM 1879 CB LEU A 578 -2.026 0.530 -6.388 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.139 -0.176 -5.024 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -3.082 0.580 -4.088 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -2.605 -1.619 -5.202 1.00 0.00 C ATOM 0 H LEU A 578 0.072 2.009 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.261 -0.174 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -2.527 1.496 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -2.566 -0.059 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.149 -0.185 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -3.142 0.058 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -2.703 1.589 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -4.074 0.632 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -2.678 -2.101 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -3.582 -1.629 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -1.888 -2.159 -5.820 1.00 0.00 H new ATOM 1894 N GLY A 579 -0.350 1.493 -9.164 1.00 0.00 N ATOM 1895 CA GLY A 579 -0.246 2.460 -10.228 1.00 0.00 C ATOM 1896 C GLY A 579 -1.561 2.786 -10.870 1.00 0.00 C ATOM 1897 O GLY A 579 -1.616 3.633 -11.762 1.00 0.00 O ATOM 0 H GLY A 579 -0.265 0.521 -9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 579 0.194 3.376 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 579 0.436 2.080 -10.988 1.00 0.00 H new ATOM 1901 N LYS A 580 -2.632 2.141 -10.431 1.00 0.00 N ATOM 1902 CA LYS A 580 -3.911 2.441 -11.016 1.00 0.00 C ATOM 1903 C LYS A 580 -4.358 3.804 -10.534 1.00 0.00 C ATOM 1904 O LYS A 580 -4.727 4.655 -11.341 1.00 0.00 O ATOM 1905 CB LYS A 580 -4.944 1.363 -10.676 1.00 0.00 C ATOM 1906 CG LYS A 580 -5.127 1.128 -9.187 1.00 0.00 C ATOM 1907 CD LYS A 580 -6.357 1.848 -8.664 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.529 1.663 -7.168 1.00 0.00 C ATOM 1909 NZ LYS A 580 -5.405 2.257 -6.393 1.00 0.00 N ATOM 0 H LYS A 580 -2.636 1.432 -9.697 1.00 0.00 H new ATOM 0 HA LYS A 580 -3.819 2.455 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -5.904 1.645 -11.109 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -4.645 0.427 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -5.218 0.059 -8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -4.244 1.475 -8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -6.279 2.911 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -7.242 1.476 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -7.467 2.121 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -6.602 0.599 -6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -5.772 2.677 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -4.714 1.515 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -4.942 2.994 -6.962 1.00 0.00 H new ATOM 1923 N TRP A 581 -4.268 4.042 -9.225 1.00 0.00 N ATOM 1924 CA TRP A 581 -4.621 5.347 -8.697 1.00 0.00 C ATOM 1925 C TRP A 581 -3.677 5.858 -7.611 1.00 0.00 C ATOM 1926 O TRP A 581 -3.234 7.005 -7.658 1.00 0.00 O ATOM 1927 CB TRP A 581 -6.041 5.330 -8.117 1.00 0.00 C ATOM 1928 CG TRP A 581 -7.125 5.081 -9.122 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -7.131 5.438 -10.437 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -8.374 4.421 -8.879 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -8.299 5.026 -11.030 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -9.080 4.404 -10.095 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -8.961 3.839 -7.751 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -10.342 3.828 -10.216 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -10.215 3.270 -7.871 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -10.893 3.266 -9.096 1.00 0.00 C ATOM 0 H TRP A 581 -3.960 3.362 -8.530 1.00 0.00 H new ATOM 0 HA TRP A 581 -4.546 6.023 -9.549 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -6.095 4.561 -7.347 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -6.230 6.285 -7.628 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -6.334 5.967 -10.939 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -8.545 5.162 -12.011 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -8.444 3.834 -6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -10.867 3.825 -11.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -10.679 2.821 -7.005 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -11.870 2.810 -9.159 1.00 0.00 H new ATOM 1947 N LYS A 582 -3.461 5.045 -6.576 1.00 0.00 N ATOM 1948 CA LYS A 582 -2.677 5.492 -5.436 1.00 0.00 C ATOM 1949 C LYS A 582 -1.744 4.451 -4.857 1.00 0.00 C ATOM 1950 O LYS A 582 -1.902 3.244 -5.056 1.00 0.00 O ATOM 1951 CB LYS A 582 -3.612 6.002 -4.331 1.00 0.00 C ATOM 1952 CG LYS A 582 -5.062 6.153 -4.771 1.00 0.00 C ATOM 1953 CD LYS A 582 -5.978 6.444 -3.592 1.00 0.00 C ATOM 1954 CE LYS A 582 -6.909 7.610 -3.882 1.00 0.00 C ATOM 1955 NZ LYS A 582 -8.108 7.185 -4.657 1.00 0.00 N ATOM 0 H LYS A 582 -3.813 4.090 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 582 -2.038 6.288 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -3.569 5.315 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -3.248 6.966 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -5.139 6.959 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -5.388 5.240 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -6.567 5.556 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -5.377 6.668 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -7.226 8.064 -2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -6.369 8.375 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -8.717 8.009 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -7.808 6.775 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -8.638 6.473 -4.114 1.00 0.00 H new ATOM 1969 N MET A 583 -0.835 4.942 -4.036 1.00 0.00 N ATOM 1970 CA MET A 583 0.059 4.107 -3.281 1.00 0.00 C ATOM 1971 C MET A 583 -0.386 4.213 -1.831 1.00 0.00 C ATOM 1972 O MET A 583 -0.640 5.309 -1.320 1.00 0.00 O ATOM 1973 CB MET A 583 1.520 4.569 -3.416 1.00 0.00 C ATOM 1974 CG MET A 583 2.292 4.574 -2.096 1.00 0.00 C ATOM 1975 SD MET A 583 4.004 5.106 -2.284 1.00 0.00 S ATOM 1976 CE MET A 583 4.737 4.428 -0.797 1.00 0.00 C ATOM 0 H MET A 583 -0.701 5.941 -3.878 1.00 0.00 H new ATOM 0 HA MET A 583 0.021 3.081 -3.648 1.00 0.00 H new ATOM 0 HB2 MET A 583 2.033 3.917 -4.123 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.536 5.574 -3.839 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.788 5.233 -1.389 1.00 0.00 H new ATOM 0 HG3 MET A 583 2.274 3.572 -1.667 1.00 0.00 H new ATOM 0 HE1 MET A 583 5.460 5.136 -0.392 1.00 0.00 H new ATOM 0 HE2 MET A 583 3.957 4.243 -0.059 1.00 0.00 H new ATOM 0 HE3 MET A 583 5.241 3.491 -1.034 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.456 3.085 -1.177 1.00 0.00 N ATOM 1987 CA LYS A 584 -0.843 3.041 0.214 1.00 0.00 C ATOM 1988 C LYS A 584 0.299 2.430 0.994 1.00 0.00 C ATOM 1989 O LYS A 584 0.867 1.413 0.599 1.00 0.00 O ATOM 1990 CB LYS A 584 -2.140 2.219 0.337 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.466 1.682 1.726 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.303 2.743 2.797 1.00 0.00 C ATOM 1993 CE LYS A 584 -3.585 3.519 2.979 1.00 0.00 C ATOM 1994 NZ LYS A 584 -3.364 4.798 3.704 1.00 0.00 N ATOM 0 H LYS A 584 -0.249 2.174 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 584 -1.042 4.034 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -2.972 2.840 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -2.078 1.376 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -3.490 1.308 1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -1.815 0.837 1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -2.019 2.275 3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -1.496 3.423 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -4.025 3.727 2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -4.302 2.910 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -4.279 5.259 3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -2.891 4.606 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.767 5.425 3.128 1.00 0.00 H new ATOM 2008 N LEU A 585 0.633 3.057 2.095 1.00 0.00 N ATOM 2009 CA LEU A 585 1.706 2.596 2.936 1.00 0.00 C ATOM 2010 C LEU A 585 1.150 2.292 4.299 1.00 0.00 C ATOM 2011 O LEU A 585 0.336 3.046 4.825 1.00 0.00 O ATOM 2012 CB LEU A 585 2.791 3.669 3.026 1.00 0.00 C ATOM 2013 CG LEU A 585 4.164 3.179 3.486 1.00 0.00 C ATOM 2014 CD1 LEU A 585 5.255 4.112 2.985 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.217 3.068 5.002 1.00 0.00 C ATOM 0 H LEU A 585 0.168 3.900 2.432 1.00 0.00 H new ATOM 0 HA LEU A 585 2.152 1.694 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 585 2.900 4.134 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.453 4.446 3.712 1.00 0.00 H new ATOM 0 HG LEU A 585 4.332 2.188 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 585 6.226 3.749 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 585 5.236 4.142 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 585 5.086 5.114 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.203 2.718 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 585 4.026 4.045 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 585 3.460 2.361 5.342 1.00 0.00 H new ATOM 2027 N VAL A 586 1.562 1.184 4.859 1.00 0.00 N ATOM 2028 CA VAL A 586 1.073 0.781 6.152 1.00 0.00 C ATOM 2029 C VAL A 586 2.204 0.341 7.073 1.00 0.00 C ATOM 2030 O VAL A 586 3.101 -0.390 6.663 1.00 0.00 O ATOM 2031 CB VAL A 586 0.050 -0.363 5.992 1.00 0.00 C ATOM 2032 CG1 VAL A 586 -0.370 -0.934 7.343 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.165 0.122 5.213 1.00 0.00 C ATOM 0 H VAL A 586 2.236 0.544 4.439 1.00 0.00 H new ATOM 0 HA VAL A 586 0.591 1.645 6.609 1.00 0.00 H new ATOM 0 HB VAL A 586 0.530 -1.166 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -1.091 -1.737 7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 586 0.506 -1.326 7.861 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.825 -0.147 7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.879 -0.695 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.635 0.947 5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -0.852 0.461 4.225 1.00 0.00 H new ATOM 2043 N SER A 587 2.133 0.761 8.327 1.00 0.00 N ATOM 2044 CA SER A 587 3.126 0.369 9.324 1.00 0.00 C ATOM 2045 C SER A 587 2.441 -0.584 10.303 1.00 0.00 C ATOM 2046 O SER A 587 1.298 -0.340 10.690 1.00 0.00 O ATOM 2047 CB SER A 587 3.662 1.596 10.065 1.00 0.00 C ATOM 2048 OG SER A 587 4.795 2.134 9.406 1.00 0.00 O ATOM 0 H SER A 587 1.399 1.374 8.682 1.00 0.00 H new ATOM 0 HA SER A 587 3.974 -0.118 8.842 1.00 0.00 H new ATOM 0 HB2 SER A 587 2.882 2.354 10.132 1.00 0.00 H new ATOM 0 HB3 SER A 587 3.927 1.321 11.086 1.00 0.00 H new ATOM 0 HG SER A 587 5.596 1.639 9.677 1.00 0.00 H new ATOM 2054 N ILE A 588 3.096 -1.678 10.686 1.00 0.00 N ATOM 2055 CA ILE A 588 2.456 -2.627 11.588 1.00 0.00 C ATOM 2056 C ILE A 588 3.337 -3.075 12.740 1.00 0.00 C ATOM 2057 O ILE A 588 4.510 -3.407 12.571 1.00 0.00 O ATOM 2058 CB ILE A 588 1.944 -3.866 10.825 1.00 0.00 C ATOM 2059 CG1 ILE A 588 3.099 -4.831 10.517 1.00 0.00 C ATOM 2060 CG2 ILE A 588 1.233 -3.444 9.545 1.00 0.00 C ATOM 2061 CD1 ILE A 588 2.741 -5.938 9.547 1.00 0.00 C ATOM 0 H ILE A 588 4.042 -1.924 10.395 1.00 0.00 H new ATOM 0 HA ILE A 588 1.617 -2.082 12.021 1.00 0.00 H new ATOM 0 HB ILE A 588 1.228 -4.390 11.458 1.00 0.00 H new ATOM 0 HG12 ILE A 588 3.934 -4.262 10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 588 3.443 -5.278 11.450 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.877 -4.329 9.018 1.00 0.00 H new ATOM 0 HG22 ILE A 588 0.386 -2.805 9.793 1.00 0.00 H new ATOM 0 HG23 ILE A 588 1.927 -2.896 8.907 1.00 0.00 H new ATOM 0 HD11 ILE A 588 3.611 -6.574 9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 588 1.928 -6.535 9.960 1.00 0.00 H new ATOM 0 HD13 ILE A 588 2.427 -5.503 8.598 1.00 0.00 H new ATOM 2073 N VAL A 589 2.718 -3.110 13.910 1.00 0.00 N ATOM 2074 CA VAL A 589 3.373 -3.551 15.133 1.00 0.00 C ATOM 2075 C VAL A 589 2.477 -4.518 15.892 1.00 0.00 C ATOM 2076 O VAL A 589 1.269 -4.304 15.998 1.00 0.00 O ATOM 2077 CB VAL A 589 3.741 -2.370 16.052 1.00 0.00 C ATOM 2078 CG1 VAL A 589 4.753 -2.806 17.102 1.00 0.00 C ATOM 2079 CG2 VAL A 589 4.278 -1.201 15.239 1.00 0.00 C ATOM 0 H VAL A 589 1.745 -2.833 14.039 1.00 0.00 H new ATOM 0 HA VAL A 589 4.296 -4.051 14.839 1.00 0.00 H new ATOM 0 HB VAL A 589 2.837 -2.040 16.564 1.00 0.00 H new ATOM 0 HG11 VAL A 589 5.001 -1.959 17.742 1.00 0.00 H new ATOM 0 HG12 VAL A 589 4.327 -3.606 17.708 1.00 0.00 H new ATOM 0 HG13 VAL A 589 5.656 -3.166 16.609 1.00 0.00 H new ATOM 0 HG21 VAL A 589 4.531 -0.379 15.908 1.00 0.00 H new ATOM 0 HG22 VAL A 589 5.169 -1.515 14.696 1.00 0.00 H new ATOM 0 HG23 VAL A 589 3.518 -0.871 14.530 1.00 0.00 H new ATOM 2089 N SER A 590 3.069 -5.578 16.423 1.00 0.00 N ATOM 2090 CA SER A 590 2.313 -6.566 17.173 1.00 0.00 C ATOM 2091 C SER A 590 1.811 -5.966 18.477 1.00 0.00 C ATOM 2092 O SER A 590 2.589 -5.419 19.257 1.00 0.00 O ATOM 2093 CB SER A 590 3.177 -7.796 17.459 1.00 0.00 C ATOM 2094 OG SER A 590 3.857 -8.225 16.292 1.00 0.00 O ATOM 0 H SER A 590 4.067 -5.774 16.348 1.00 0.00 H new ATOM 0 HA SER A 590 1.456 -6.873 16.574 1.00 0.00 H new ATOM 0 HB2 SER A 590 3.901 -7.562 18.240 1.00 0.00 H new ATOM 0 HB3 SER A 590 2.551 -8.604 17.836 1.00 0.00 H new ATOM 0 HG SER A 590 4.403 -9.011 16.502 1.00 0.00 H new