USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 503 LYS NZ :NH3+ 169:sc= 0.233 (180deg=-0.0545) USER MOD Set 1.2: A 506 SER OG : rot -23:sc= 0.491 USER MOD Single : A 494 THR OG1 : rot 66:sc= 1.2 USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 501 TYR OH : rot 180:sc= 0 USER MOD Single : A 504 THR OG1 : rot 127:sc= -0.349! USER MOD Single : A 507 LYS NZ :NH3+ -121:sc= -7.9! (180deg=-13.3!) USER MOD Single : A 511 SER OG : rot 102:sc= 1.59 USER MOD Single : A 517 SER OG : rot 180:sc= -4.62! USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 SER OG : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 526 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.4!) USER MOD Single : A 527 ASN :FLIP amide:sc= -1.89 F(o=-4.9!,f=-1.9) USER MOD Single : A 528 ASN :FLIP amide:sc= -0.762 F(o=-1.4,f=-0.76) USER MOD Single : A 531 TYR OH : rot 156:sc= -0.371 USER MOD Single : A 534 SER OG : rot -134:sc= -2.42! USER MOD Single : A 552 THR OG1 : rot -94:sc= -3.84! USER MOD Single : A 554 THR OG1 : rot -141:sc= 1.19 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 X(o=0,f=-0.17) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 136:sc= -0.427 (180deg=-2.39!) USER MOD Single : A 564 THR OG1 : rot 159:sc= -0.132 USER MOD Single : A 565 GLN :FLIP amide:sc= -0.435 F(o=-1.7,f=-0.44) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 LYS NZ :NH3+ 167:sc= -2.17 (180deg=-2.4!) USER MOD Single : A 582 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.062) USER MOD Single : A 583 MET CE :methyl -125:sc= -5.79! (180deg=-12.2!) USER MOD Single : A 584 LYS NZ :NH3+ -117:sc= -6.39! (180deg=-9.82!) USER MOD Single : A 587 SER OG : rot 180:sc= 0 USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -1.130 8.661 1.082 1.00 0.00 N ATOM 524 CA ALA A 491 -1.898 8.302 2.270 1.00 0.00 C ATOM 525 C ALA A 491 -1.245 7.132 3.001 1.00 0.00 C ATOM 526 O ALA A 491 -0.833 6.150 2.383 1.00 0.00 O ATOM 527 CB ALA A 491 -3.328 7.959 1.884 1.00 0.00 C ATOM 0 HA ALA A 491 -1.913 9.158 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -3.892 7.693 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -3.792 8.821 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -3.326 7.117 1.192 1.00 0.00 H new ATOM 533 N ARG A 492 -1.153 7.251 4.324 1.00 0.00 N ATOM 534 CA ARG A 492 -0.553 6.220 5.150 1.00 0.00 C ATOM 535 C ARG A 492 -1.388 5.938 6.392 1.00 0.00 C ATOM 536 O ARG A 492 -1.843 6.856 7.074 1.00 0.00 O ATOM 537 CB ARG A 492 0.865 6.638 5.556 1.00 0.00 C ATOM 538 CG ARG A 492 1.522 5.705 6.564 1.00 0.00 C ATOM 539 CD ARG A 492 2.704 4.972 5.954 1.00 0.00 C ATOM 540 NE ARG A 492 3.963 5.678 6.179 1.00 0.00 N ATOM 541 CZ ARG A 492 5.162 5.145 5.953 1.00 0.00 C ATOM 542 NH1 ARG A 492 5.269 3.903 5.498 1.00 0.00 N ATOM 543 NH2 ARG A 492 6.257 5.856 6.182 1.00 0.00 N ATOM 0 H ARG A 492 -1.491 8.060 4.845 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.511 5.303 4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 492 1.488 6.687 4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.830 7.643 5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.855 6.278 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.790 4.982 6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 492 2.769 3.971 6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 492 2.542 4.852 4.883 1.00 0.00 H new ATOM 0 HE ARG A 492 3.921 6.635 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 492 4.430 3.351 5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 492 6.190 3.500 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 492 6.181 6.811 6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 492 7.176 5.448 6.009 1.00 0.00 H new ATOM 557 N VAL A 493 -1.555 4.661 6.690 1.00 0.00 N ATOM 558 CA VAL A 493 -2.301 4.238 7.864 1.00 0.00 C ATOM 559 C VAL A 493 -1.547 3.144 8.627 1.00 0.00 C ATOM 560 O VAL A 493 -0.639 2.515 8.080 1.00 0.00 O ATOM 561 CB VAL A 493 -3.691 3.714 7.484 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.489 3.352 8.725 1.00 0.00 C ATOM 563 CG2 VAL A 493 -4.430 4.740 6.639 1.00 0.00 C ATOM 0 H VAL A 493 -1.181 3.894 6.131 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.414 5.114 8.502 1.00 0.00 H new ATOM 0 HB VAL A 493 -3.569 2.808 6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.471 2.983 8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -3.962 2.578 9.283 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.606 4.235 9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -5.415 4.354 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -4.541 5.665 7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.864 4.937 5.729 1.00 0.00 H new ATOM 573 N THR A 494 -1.925 2.896 9.883 1.00 0.00 N ATOM 574 CA THR A 494 -1.269 1.847 10.660 1.00 0.00 C ATOM 575 C THR A 494 -2.277 0.819 11.170 1.00 0.00 C ATOM 576 O THR A 494 -3.335 1.169 11.694 1.00 0.00 O ATOM 577 CB THR A 494 -0.507 2.457 11.838 1.00 0.00 C ATOM 578 OG1 THR A 494 0.085 1.444 12.631 1.00 0.00 O ATOM 579 CG2 THR A 494 -1.381 3.297 12.744 1.00 0.00 C ATOM 0 H THR A 494 -2.666 3.396 10.374 1.00 0.00 H new ATOM 0 HA THR A 494 -0.566 1.336 10.002 1.00 0.00 H new ATOM 0 HB THR A 494 0.250 3.101 11.390 1.00 0.00 H new ATOM 0 HG1 THR A 494 0.777 0.985 12.111 1.00 0.00 H new ATOM 0 HG21 THR A 494 -0.779 3.700 13.559 1.00 0.00 H new ATOM 0 HG22 THR A 494 -1.814 4.118 12.173 1.00 0.00 H new ATOM 0 HG23 THR A 494 -2.180 2.679 13.154 1.00 0.00 H new ATOM 587 N LEU A 495 -1.922 -0.455 11.018 1.00 0.00 N ATOM 588 CA LEU A 495 -2.759 -1.562 11.464 1.00 0.00 C ATOM 589 C LEU A 495 -1.913 -2.614 12.187 1.00 0.00 C ATOM 590 O LEU A 495 -0.689 -2.628 12.052 1.00 0.00 O ATOM 591 CB LEU A 495 -3.523 -2.167 10.273 1.00 0.00 C ATOM 592 CG LEU A 495 -2.974 -3.479 9.697 1.00 0.00 C ATOM 593 CD1 LEU A 495 -4.106 -4.319 9.126 1.00 0.00 C ATOM 594 CD2 LEU A 495 -1.927 -3.194 8.629 1.00 0.00 C ATOM 0 H LEU A 495 -1.047 -0.747 10.583 1.00 0.00 H new ATOM 0 HA LEU A 495 -3.496 -1.187 12.175 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.555 -2.336 10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.546 -1.427 9.473 1.00 0.00 H new ATOM 0 HG LEU A 495 -2.499 -4.041 10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -3.702 -5.247 8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -4.822 -4.549 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -4.606 -3.764 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.548 -4.135 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -2.378 -2.614 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -1.105 -2.628 9.067 1.00 0.00 H new ATOM 606 N PRO A 496 -2.546 -3.519 12.953 1.00 0.00 N ATOM 607 CA PRO A 496 -1.825 -4.576 13.675 1.00 0.00 C ATOM 608 C PRO A 496 -1.012 -5.470 12.733 1.00 0.00 C ATOM 609 O PRO A 496 -1.557 -6.100 11.827 1.00 0.00 O ATOM 610 CB PRO A 496 -2.939 -5.381 14.356 1.00 0.00 C ATOM 611 CG PRO A 496 -4.190 -5.007 13.636 1.00 0.00 C ATOM 612 CD PRO A 496 -3.997 -3.594 13.170 1.00 0.00 C ATOM 0 HA PRO A 496 -1.099 -4.165 14.376 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -2.750 -6.452 14.286 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -3.008 -5.138 15.416 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -4.368 -5.674 12.793 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -5.056 -5.085 14.293 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -4.554 -3.390 12.256 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -4.332 -2.873 13.915 1.00 0.00 H new ATOM 620 N LYS A 497 0.298 -5.495 12.954 1.00 0.00 N ATOM 621 CA LYS A 497 1.232 -6.278 12.142 1.00 0.00 C ATOM 622 C LYS A 497 0.914 -7.777 12.110 1.00 0.00 C ATOM 623 O LYS A 497 1.256 -8.465 11.147 1.00 0.00 O ATOM 624 CB LYS A 497 2.648 -6.084 12.691 1.00 0.00 C ATOM 625 CG LYS A 497 3.725 -6.797 11.889 1.00 0.00 C ATOM 626 CD LYS A 497 4.928 -7.138 12.755 1.00 0.00 C ATOM 627 CE LYS A 497 4.958 -8.615 13.113 1.00 0.00 C ATOM 628 NZ LYS A 497 5.888 -9.380 12.237 1.00 0.00 N ATOM 0 H LYS A 497 0.747 -4.971 13.705 1.00 0.00 H new ATOM 0 HA LYS A 497 1.141 -5.915 11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.874 -5.018 12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 497 2.680 -6.441 13.720 1.00 0.00 H new ATOM 0 HG2 LYS A 497 3.315 -7.710 11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 497 4.040 -6.166 11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 497 5.844 -6.872 12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 497 4.901 -6.542 13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 497 5.262 -8.730 14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 497 3.954 -9.030 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 5.880 -10.383 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 5.584 -9.291 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 6.851 -9.001 12.338 1.00 0.00 H new ATOM 642 N SER A 498 0.327 -8.293 13.180 1.00 0.00 N ATOM 643 CA SER A 498 0.048 -9.730 13.279 1.00 0.00 C ATOM 644 C SER A 498 -0.891 -10.269 12.192 1.00 0.00 C ATOM 645 O SER A 498 -0.597 -11.294 11.577 1.00 0.00 O ATOM 646 CB SER A 498 -0.538 -10.047 14.656 1.00 0.00 C ATOM 647 OG SER A 498 -0.023 -11.267 15.161 1.00 0.00 O ATOM 0 H SER A 498 0.034 -7.747 13.990 1.00 0.00 H new ATOM 0 HA SER A 498 1.005 -10.230 13.131 1.00 0.00 H new ATOM 0 HB2 SER A 498 -0.307 -9.237 15.348 1.00 0.00 H new ATOM 0 HB3 SER A 498 -1.624 -10.108 14.587 1.00 0.00 H new ATOM 0 HG SER A 498 -0.412 -11.446 16.043 1.00 0.00 H new ATOM 653 N LEU A 499 -2.020 -9.608 11.966 1.00 0.00 N ATOM 654 CA LEU A 499 -2.982 -10.073 10.962 1.00 0.00 C ATOM 655 C LEU A 499 -2.509 -9.815 9.531 1.00 0.00 C ATOM 656 O LEU A 499 -3.138 -10.267 8.575 1.00 0.00 O ATOM 657 CB LEU A 499 -4.346 -9.423 11.185 1.00 0.00 C ATOM 658 CG LEU A 499 -4.434 -7.957 10.774 1.00 0.00 C ATOM 659 CD1 LEU A 499 -4.689 -7.836 9.281 1.00 0.00 C ATOM 660 CD2 LEU A 499 -5.528 -7.252 11.559 1.00 0.00 C ATOM 0 H LEU A 499 -2.294 -8.757 12.456 1.00 0.00 H new ATOM 0 HA LEU A 499 -3.068 -11.152 11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -5.096 -9.986 10.630 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -4.603 -9.505 12.241 1.00 0.00 H new ATOM 0 HG LEU A 499 -3.482 -7.477 11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -4.749 -6.783 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -3.874 -8.308 8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -5.628 -8.330 9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -5.578 -6.207 11.254 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -6.486 -7.734 11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -5.306 -7.309 12.625 1.00 0.00 H new ATOM 672 N VAL A 500 -1.417 -9.078 9.385 1.00 0.00 N ATOM 673 CA VAL A 500 -0.887 -8.754 8.067 1.00 0.00 C ATOM 674 C VAL A 500 -0.232 -9.967 7.419 1.00 0.00 C ATOM 675 O VAL A 500 -0.128 -10.060 6.198 1.00 0.00 O ATOM 676 CB VAL A 500 0.148 -7.620 8.157 1.00 0.00 C ATOM 677 CG1 VAL A 500 0.578 -7.179 6.768 1.00 0.00 C ATOM 678 CG2 VAL A 500 -0.408 -6.451 8.954 1.00 0.00 C ATOM 0 H VAL A 500 -0.880 -8.693 10.162 1.00 0.00 H new ATOM 0 HA VAL A 500 -1.729 -8.433 7.454 1.00 0.00 H new ATOM 0 HB VAL A 500 1.028 -7.995 8.679 1.00 0.00 H new ATOM 0 HG11 VAL A 500 1.310 -6.376 6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 500 1.023 -8.022 6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.290 -6.822 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 500 0.339 -5.659 9.007 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.306 -6.072 8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.656 -6.783 9.962 1.00 0.00 H new ATOM 688 N TYR A 501 0.225 -10.875 8.262 1.00 0.00 N ATOM 689 CA TYR A 501 0.905 -12.086 7.831 1.00 0.00 C ATOM 690 C TYR A 501 0.110 -12.915 6.812 1.00 0.00 C ATOM 691 O TYR A 501 0.699 -13.666 6.043 1.00 0.00 O ATOM 692 CB TYR A 501 1.250 -12.950 9.048 1.00 0.00 C ATOM 693 CG TYR A 501 0.113 -13.832 9.515 1.00 0.00 C ATOM 694 CD1 TYR A 501 -1.141 -13.298 9.777 1.00 0.00 C ATOM 695 CD2 TYR A 501 0.294 -15.198 9.685 1.00 0.00 C ATOM 696 CE1 TYR A 501 -2.184 -14.100 10.197 1.00 0.00 C ATOM 697 CE2 TYR A 501 -0.743 -16.007 10.104 1.00 0.00 C ATOM 698 CZ TYR A 501 -1.980 -15.454 10.359 1.00 0.00 C ATOM 699 OH TYR A 501 -3.016 -16.258 10.777 1.00 0.00 O ATOM 0 H TYR A 501 0.134 -10.793 9.275 1.00 0.00 H new ATOM 0 HA TYR A 501 1.812 -11.762 7.321 1.00 0.00 H new ATOM 0 HB2 TYR A 501 2.107 -13.577 8.805 1.00 0.00 H new ATOM 0 HB3 TYR A 501 1.553 -12.300 9.869 1.00 0.00 H new ATOM 0 HD1 TYR A 501 -1.304 -12.238 9.650 1.00 0.00 H new ATOM 0 HD2 TYR A 501 1.262 -15.635 9.486 1.00 0.00 H new ATOM 0 HE1 TYR A 501 -3.154 -13.669 10.397 1.00 0.00 H new ATOM 0 HE2 TYR A 501 -0.586 -17.068 10.231 1.00 0.00 H new ATOM 0 HH TYR A 501 -2.706 -17.185 10.839 1.00 0.00 H new ATOM 709 N ASP A 502 -1.216 -12.863 6.863 1.00 0.00 N ATOM 710 CA ASP A 502 -2.028 -13.708 5.973 1.00 0.00 C ATOM 711 C ASP A 502 -2.025 -13.283 4.492 1.00 0.00 C ATOM 712 O ASP A 502 -1.793 -14.120 3.620 1.00 0.00 O ATOM 713 CB ASP A 502 -3.471 -13.747 6.480 1.00 0.00 C ATOM 714 CG ASP A 502 -4.277 -14.862 5.844 1.00 0.00 C ATOM 715 OD1 ASP A 502 -3.872 -15.348 4.767 1.00 0.00 O ATOM 716 OD2 ASP A 502 -5.315 -15.248 6.422 1.00 0.00 O ATOM 0 H ASP A 502 -1.749 -12.263 7.492 1.00 0.00 H new ATOM 0 HA ASP A 502 -1.563 -14.693 6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.470 -13.875 7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -3.952 -12.791 6.273 1.00 0.00 H new ATOM 721 N LYS A 503 -2.277 -12.008 4.191 1.00 0.00 N ATOM 722 CA LYS A 503 -2.288 -11.548 2.810 1.00 0.00 C ATOM 723 C LYS A 503 -1.235 -10.473 2.581 1.00 0.00 C ATOM 724 O LYS A 503 -1.087 -9.548 3.375 1.00 0.00 O ATOM 725 CB LYS A 503 -3.675 -11.038 2.422 1.00 0.00 C ATOM 726 CG LYS A 503 -4.394 -11.930 1.424 1.00 0.00 C ATOM 727 CD LYS A 503 -5.891 -11.668 1.420 1.00 0.00 C ATOM 728 CE LYS A 503 -6.572 -12.345 0.242 1.00 0.00 C ATOM 729 NZ LYS A 503 -7.681 -11.519 -0.310 1.00 0.00 N ATOM 0 H LYS A 503 -2.474 -11.284 4.882 1.00 0.00 H new ATOM 0 HA LYS A 503 -2.044 -12.397 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -4.285 -10.948 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.580 -10.038 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -3.991 -11.759 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -4.207 -12.976 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -6.327 -12.030 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -6.073 -10.594 1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -5.838 -12.536 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -6.962 -13.313 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -7.995 -11.921 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -8.476 -11.513 0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -7.347 -10.546 -0.460 1.00 0.00 H new ATOM 743 N THR A 504 -0.493 -10.608 1.506 1.00 0.00 N ATOM 744 CA THR A 504 0.548 -9.640 1.193 1.00 0.00 C ATOM 745 C THR A 504 -0.013 -8.302 0.691 1.00 0.00 C ATOM 746 O THR A 504 -0.039 -7.315 1.425 1.00 0.00 O ATOM 747 CB THR A 504 1.472 -10.225 0.130 1.00 0.00 C ATOM 748 OG1 THR A 504 1.802 -11.567 0.434 1.00 0.00 O ATOM 749 CG2 THR A 504 2.762 -9.454 -0.038 1.00 0.00 C ATOM 0 H THR A 504 -0.585 -11.370 0.835 1.00 0.00 H new ATOM 0 HA THR A 504 1.090 -9.438 2.117 1.00 0.00 H new ATOM 0 HB THR A 504 0.912 -10.161 -0.803 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.606 -12.136 -0.340 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.370 -9.926 -0.810 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.537 -8.428 -0.330 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.310 -9.451 0.904 1.00 0.00 H new ATOM 757 N PHE A 505 -0.450 -8.278 -0.572 1.00 0.00 N ATOM 758 CA PHE A 505 -0.999 -7.069 -1.186 1.00 0.00 C ATOM 759 C PHE A 505 -2.417 -6.725 -0.730 1.00 0.00 C ATOM 760 O PHE A 505 -2.672 -5.630 -0.235 1.00 0.00 O ATOM 761 CB PHE A 505 -0.926 -7.142 -2.716 1.00 0.00 C ATOM 762 CG PHE A 505 -0.271 -5.931 -3.316 1.00 0.00 C ATOM 763 CD1 PHE A 505 1.108 -5.817 -3.347 1.00 0.00 C ATOM 764 CD2 PHE A 505 -1.035 -4.905 -3.844 1.00 0.00 C ATOM 765 CE1 PHE A 505 1.712 -4.700 -3.893 1.00 0.00 C ATOM 766 CE2 PHE A 505 -0.436 -3.788 -4.392 1.00 0.00 C ATOM 767 CZ PHE A 505 0.939 -3.685 -4.416 1.00 0.00 C ATOM 0 H PHE A 505 -0.433 -9.089 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.366 -6.254 -0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -0.372 -8.034 -3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -1.933 -7.245 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 505 1.719 -6.609 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 505 -2.112 -4.979 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 505 2.789 -4.622 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 505 -1.044 -2.995 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 505 1.409 -2.812 -4.843 1.00 0.00 H new ATOM 777 N SER A 506 -3.344 -7.644 -0.978 1.00 0.00 N ATOM 778 CA SER A 506 -4.759 -7.442 -0.684 1.00 0.00 C ATOM 779 C SER A 506 -5.053 -6.923 0.721 1.00 0.00 C ATOM 780 O SER A 506 -5.450 -5.774 0.893 1.00 0.00 O ATOM 781 CB SER A 506 -5.503 -8.763 -0.883 1.00 0.00 C ATOM 782 OG SER A 506 -6.903 -8.558 -0.954 1.00 0.00 O ATOM 0 H SER A 506 -3.135 -8.553 -1.390 1.00 0.00 H new ATOM 0 HA SER A 506 -5.099 -6.668 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 506 -5.157 -9.244 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 506 -5.273 -9.440 -0.060 1.00 0.00 H new ATOM 0 HG SER A 506 -7.133 -7.715 -0.511 1.00 0.00 H new ATOM 788 N LYS A 507 -4.898 -7.776 1.719 1.00 0.00 N ATOM 789 CA LYS A 507 -5.218 -7.397 3.091 1.00 0.00 C ATOM 790 C LYS A 507 -4.602 -6.062 3.483 1.00 0.00 C ATOM 791 O LYS A 507 -5.288 -5.200 4.039 1.00 0.00 O ATOM 792 CB LYS A 507 -4.812 -8.493 4.067 1.00 0.00 C ATOM 793 CG LYS A 507 -3.317 -8.735 4.134 1.00 0.00 C ATOM 794 CD LYS A 507 -2.579 -7.782 5.072 1.00 0.00 C ATOM 795 CE LYS A 507 -3.459 -7.237 6.193 1.00 0.00 C ATOM 796 NZ LYS A 507 -2.787 -6.149 6.951 1.00 0.00 N ATOM 0 H LYS A 507 -4.555 -8.730 1.610 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.300 -7.273 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -5.172 -8.231 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -5.308 -9.421 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -3.139 -9.760 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -2.898 -8.641 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -1.726 -8.301 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -2.182 -6.948 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -4.392 -6.862 5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -3.720 -8.046 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -2.714 -6.418 7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -1.834 -5.994 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -3.342 -5.273 6.867 1.00 0.00 H new ATOM 810 N VAL A 508 -3.323 -5.886 3.210 1.00 0.00 N ATOM 811 CA VAL A 508 -2.642 -4.648 3.562 1.00 0.00 C ATOM 812 C VAL A 508 -3.342 -3.420 2.984 1.00 0.00 C ATOM 813 O VAL A 508 -3.713 -2.504 3.718 1.00 0.00 O ATOM 814 CB VAL A 508 -1.178 -4.648 3.077 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.570 -3.258 3.200 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.354 -5.662 3.855 1.00 0.00 C ATOM 0 H VAL A 508 -2.734 -6.579 2.748 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.669 -4.594 4.650 1.00 0.00 H new ATOM 0 HB VAL A 508 -1.169 -4.934 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.463 -3.281 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -1.142 -2.556 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.595 -2.941 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.675 -5.646 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -0.374 -5.410 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.772 -6.658 3.711 1.00 0.00 H new ATOM 826 N LEU A 509 -3.472 -3.384 1.673 1.00 0.00 N ATOM 827 CA LEU A 509 -4.062 -2.244 0.985 1.00 0.00 C ATOM 828 C LEU A 509 -5.482 -1.873 1.429 1.00 0.00 C ATOM 829 O LEU A 509 -5.721 -0.734 1.832 1.00 0.00 O ATOM 830 CB LEU A 509 -4.025 -2.466 -0.534 1.00 0.00 C ATOM 831 CG LEU A 509 -5.106 -3.385 -1.101 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.355 -2.589 -1.438 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.590 -4.119 -2.326 1.00 0.00 C ATOM 0 H LEU A 509 -3.175 -4.138 1.054 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.444 -1.392 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.105 -1.496 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.051 -2.877 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.365 -4.125 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -7.115 -3.258 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.735 -2.109 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -6.112 -1.828 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.373 -4.769 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.304 -3.396 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.723 -4.720 -2.052 1.00 0.00 H new ATOM 845 N TRP A 510 -6.436 -2.785 1.290 1.00 0.00 N ATOM 846 CA TRP A 510 -7.826 -2.468 1.612 1.00 0.00 C ATOM 847 C TRP A 510 -8.121 -2.339 3.099 1.00 0.00 C ATOM 848 O TRP A 510 -8.740 -1.374 3.547 1.00 0.00 O ATOM 849 CB TRP A 510 -8.777 -3.500 0.990 1.00 0.00 C ATOM 850 CG TRP A 510 -8.588 -4.896 1.506 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.862 -5.890 0.921 1.00 0.00 C ATOM 852 CD2 TRP A 510 -9.143 -5.458 2.705 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.924 -7.032 1.680 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.701 -6.792 2.782 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.966 -4.963 3.722 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -9.054 -7.635 3.833 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -10.315 -5.801 4.764 1.00 0.00 C ATOM 858 CH2 TRP A 510 -9.859 -7.124 4.813 1.00 0.00 C ATOM 0 H TRP A 510 -6.279 -3.738 0.961 1.00 0.00 H new ATOM 0 HA TRP A 510 -7.995 -1.481 1.180 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.805 -3.191 1.178 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.637 -3.502 -0.091 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -7.317 -5.793 -0.006 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.466 -7.916 1.459 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -10.322 -3.944 3.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.704 -8.656 3.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -10.950 -5.429 5.554 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -10.149 -7.753 5.641 1.00 0.00 H new ATOM 869 N SER A 511 -7.729 -3.340 3.840 1.00 0.00 N ATOM 870 CA SER A 511 -7.995 -3.400 5.261 1.00 0.00 C ATOM 871 C SER A 511 -7.268 -2.332 6.045 1.00 0.00 C ATOM 872 O SER A 511 -7.828 -1.718 6.954 1.00 0.00 O ATOM 873 CB SER A 511 -7.621 -4.779 5.805 1.00 0.00 C ATOM 874 OG SER A 511 -8.485 -5.163 6.860 1.00 0.00 O ATOM 0 H SER A 511 -7.214 -4.143 3.478 1.00 0.00 H new ATOM 0 HA SER A 511 -9.063 -3.219 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.672 -5.516 5.003 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.591 -4.766 6.161 1.00 0.00 H new ATOM 0 HG SER A 511 -9.147 -5.803 6.524 1.00 0.00 H new ATOM 880 N ALA A 512 -5.995 -2.197 5.763 1.00 0.00 N ATOM 881 CA ALA A 512 -5.151 -1.304 6.514 1.00 0.00 C ATOM 882 C ALA A 512 -5.352 0.185 6.322 1.00 0.00 C ATOM 883 O ALA A 512 -5.759 0.874 7.258 1.00 0.00 O ATOM 884 CB ALA A 512 -3.694 -1.651 6.264 1.00 0.00 C ATOM 0 H ALA A 512 -5.519 -2.699 5.013 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.457 -1.475 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -3.056 -0.975 6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.505 -2.678 6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.473 -1.550 5.201 1.00 0.00 H new ATOM 890 N GLY A 513 -4.937 0.710 5.183 1.00 0.00 N ATOM 891 CA GLY A 513 -4.964 2.150 5.042 1.00 0.00 C ATOM 892 C GLY A 513 -5.866 2.821 4.049 1.00 0.00 C ATOM 893 O GLY A 513 -6.240 3.974 4.273 1.00 0.00 O ATOM 0 H GLY A 513 -4.593 0.188 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.210 2.560 6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -3.947 2.465 4.810 1.00 0.00 H new ATOM 897 N LEU A 514 -6.089 2.232 2.892 1.00 0.00 N ATOM 898 CA LEU A 514 -6.795 3.000 1.875 1.00 0.00 C ATOM 899 C LEU A 514 -8.223 2.647 1.523 1.00 0.00 C ATOM 900 O LEU A 514 -9.013 3.574 1.338 1.00 0.00 O ATOM 901 CB LEU A 514 -5.951 3.033 0.594 1.00 0.00 C ATOM 902 CG LEU A 514 -5.187 4.345 0.338 1.00 0.00 C ATOM 903 CD1 LEU A 514 -4.833 4.480 -1.135 1.00 0.00 C ATOM 904 CD2 LEU A 514 -5.988 5.555 0.803 1.00 0.00 C ATOM 0 H LEU A 514 -5.814 1.284 2.636 1.00 0.00 H new ATOM 0 HA LEU A 514 -6.914 3.969 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -5.231 2.215 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -6.605 2.842 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 514 -4.265 4.309 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -4.294 5.413 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -4.205 3.642 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -5.746 4.482 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -5.420 6.464 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -6.934 5.595 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -6.184 5.472 1.872 1.00 0.00 H new ATOM 916 N VAL A 515 -8.579 1.391 1.299 1.00 0.00 N ATOM 917 CA VAL A 515 -9.936 1.183 0.807 1.00 0.00 C ATOM 918 C VAL A 515 -10.598 -0.169 1.128 1.00 0.00 C ATOM 919 O VAL A 515 -9.977 -1.118 1.572 1.00 0.00 O ATOM 920 CB VAL A 515 -9.889 1.394 -0.739 1.00 0.00 C ATOM 921 CG1 VAL A 515 -11.229 1.162 -1.427 1.00 0.00 C ATOM 922 CG2 VAL A 515 -9.385 2.785 -1.093 1.00 0.00 C ATOM 0 H VAL A 515 -8.003 0.560 1.435 1.00 0.00 H new ATOM 0 HA VAL A 515 -10.567 1.897 1.336 1.00 0.00 H new ATOM 0 HB VAL A 515 -9.194 0.640 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -11.121 1.326 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -11.557 0.138 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -11.969 1.855 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -9.364 2.900 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -10.050 3.534 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -8.379 2.920 -0.695 1.00 0.00 H new ATOM 932 N ALA A 516 -11.888 -0.210 0.794 1.00 0.00 N ATOM 933 CA ALA A 516 -12.770 -1.363 0.891 1.00 0.00 C ATOM 934 C ALA A 516 -12.353 -2.408 -0.142 1.00 0.00 C ATOM 935 O ALA A 516 -13.060 -3.384 -0.394 1.00 0.00 O ATOM 936 CB ALA A 516 -14.223 -0.954 0.699 1.00 0.00 C ATOM 0 H ALA A 516 -12.369 0.611 0.427 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.683 -1.795 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -14.862 -1.834 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.503 -0.234 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.347 -0.501 -0.285 1.00 0.00 H new ATOM 942 N SER A 517 -11.273 -2.082 -0.839 1.00 0.00 N ATOM 943 CA SER A 517 -10.763 -2.796 -1.967 1.00 0.00 C ATOM 944 C SER A 517 -10.410 -4.257 -1.712 1.00 0.00 C ATOM 945 O SER A 517 -9.880 -4.900 -2.613 1.00 0.00 O ATOM 946 CB SER A 517 -9.513 -2.050 -2.463 1.00 0.00 C ATOM 947 OG SER A 517 -9.703 -1.514 -3.759 1.00 0.00 O ATOM 0 H SER A 517 -10.709 -1.264 -0.607 1.00 0.00 H new ATOM 0 HA SER A 517 -11.564 -2.827 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 517 -9.270 -1.246 -1.769 1.00 0.00 H new ATOM 0 HB3 SER A 517 -8.662 -2.731 -2.472 1.00 0.00 H new ATOM 0 HG SER A 517 -8.890 -1.046 -4.042 1.00 0.00 H new ATOM 953 N LYS A 518 -10.738 -4.841 -0.564 1.00 0.00 N ATOM 954 CA LYS A 518 -10.449 -6.269 -0.436 1.00 0.00 C ATOM 955 C LYS A 518 -10.942 -6.872 -1.745 1.00 0.00 C ATOM 956 O LYS A 518 -10.223 -7.599 -2.431 1.00 0.00 O ATOM 957 CB LYS A 518 -11.177 -6.931 0.752 1.00 0.00 C ATOM 958 CG LYS A 518 -11.883 -5.969 1.698 1.00 0.00 C ATOM 959 CD LYS A 518 -13.330 -5.747 1.290 1.00 0.00 C ATOM 960 CE LYS A 518 -13.973 -4.636 2.105 1.00 0.00 C ATOM 961 NZ LYS A 518 -15.458 -4.649 1.987 1.00 0.00 N ATOM 0 H LYS A 518 -11.173 -4.390 0.240 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.388 -6.431 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -11.912 -7.635 0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -10.453 -7.511 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -11.847 -6.364 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -11.356 -5.015 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -13.376 -5.496 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -13.893 -6.671 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -13.691 -4.744 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -13.591 -3.672 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -15.858 -3.877 2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -15.728 -4.520 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -15.826 -5.559 2.331 1.00 0.00 H new ATOM 975 N SER A 519 -12.141 -6.445 -2.130 1.00 0.00 N ATOM 976 CA SER A 519 -12.719 -6.804 -3.412 1.00 0.00 C ATOM 977 C SER A 519 -12.019 -6.017 -4.536 1.00 0.00 C ATOM 978 O SER A 519 -11.485 -6.597 -5.491 1.00 0.00 O ATOM 979 CB SER A 519 -14.221 -6.514 -3.423 1.00 0.00 C ATOM 980 OG SER A 519 -14.926 -7.502 -4.156 1.00 0.00 O ATOM 0 H SER A 519 -12.735 -5.842 -1.560 1.00 0.00 H new ATOM 0 HA SER A 519 -12.574 -7.872 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.595 -6.479 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.402 -5.533 -3.862 1.00 0.00 H new ATOM 0 HG SER A 519 -15.884 -7.295 -4.147 1.00 0.00 H new ATOM 986 N GLU A 520 -12.039 -4.672 -4.410 1.00 0.00 N ATOM 987 CA GLU A 520 -11.434 -3.787 -5.408 1.00 0.00 C ATOM 988 C GLU A 520 -9.924 -3.984 -5.507 1.00 0.00 C ATOM 989 O GLU A 520 -9.369 -4.126 -6.596 1.00 0.00 O ATOM 990 CB GLU A 520 -11.767 -2.320 -5.120 1.00 0.00 C ATOM 991 CG GLU A 520 -13.110 -1.879 -5.677 1.00 0.00 C ATOM 992 CD GLU A 520 -13.007 -1.339 -7.090 1.00 0.00 C ATOM 993 OE1 GLU A 520 -12.090 -0.532 -7.352 1.00 0.00 O ATOM 994 OE2 GLU A 520 -13.843 -1.722 -7.935 1.00 0.00 O ATOM 0 H GLU A 520 -12.469 -4.184 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 520 -11.864 -4.056 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -11.760 -2.160 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -10.984 -1.689 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -13.799 -2.723 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -13.534 -1.112 -5.029 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.277 -3.994 -4.361 1.00 0.00 N ATOM 1002 CA GLY A 521 -7.848 -4.177 -4.286 1.00 0.00 C ATOM 1003 C GLY A 521 -7.419 -5.433 -4.983 1.00 0.00 C ATOM 1004 O GLY A 521 -6.568 -5.385 -5.858 1.00 0.00 O ATOM 0 H GLY A 521 -9.730 -3.875 -3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.346 -3.320 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.539 -4.215 -3.241 1.00 0.00 H new ATOM 1008 N GLN A 522 -8.023 -6.560 -4.617 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.697 -7.833 -5.242 1.00 0.00 C ATOM 1010 C GLN A 522 -7.691 -7.673 -6.762 1.00 0.00 C ATOM 1011 O GLN A 522 -6.741 -8.075 -7.433 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.706 -8.907 -4.827 1.00 0.00 C ATOM 1013 CG GLN A 522 -8.182 -9.853 -3.760 1.00 0.00 C ATOM 1014 CD GLN A 522 -7.717 -11.178 -4.333 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -8.386 -12.200 -4.185 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -6.563 -11.165 -4.991 1.00 0.00 N ATOM 0 H GLN A 522 -8.739 -6.615 -3.892 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.707 -8.146 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.610 -8.422 -4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -8.991 -9.486 -5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.354 -9.378 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -8.965 -10.034 -3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -6.042 -10.294 -5.089 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -6.198 -12.026 -5.398 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.743 -7.053 -7.294 1.00 0.00 N ATOM 1026 CA ARG A 523 -8.841 -6.803 -8.727 1.00 0.00 C ATOM 1027 C ARG A 523 -7.563 -6.137 -9.232 1.00 0.00 C ATOM 1028 O ARG A 523 -6.982 -6.570 -10.221 1.00 0.00 O ATOM 1029 CB ARG A 523 -10.066 -5.931 -9.033 1.00 0.00 C ATOM 1030 CG ARG A 523 -10.092 -5.364 -10.445 1.00 0.00 C ATOM 1031 CD ARG A 523 -9.815 -6.437 -11.486 1.00 0.00 C ATOM 1032 NE ARG A 523 -10.702 -6.322 -12.641 1.00 0.00 N ATOM 1033 CZ ARG A 523 -10.916 -7.304 -13.514 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -10.309 -8.475 -13.366 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -11.739 -7.115 -14.536 1.00 0.00 N ATOM 0 H ARG A 523 -9.539 -6.715 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 523 -8.962 -7.755 -9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -10.968 -6.523 -8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -10.097 -5.106 -8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -11.065 -4.912 -10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -9.349 -4.571 -10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -8.779 -6.363 -11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -9.936 -7.421 -11.033 1.00 0.00 H new ATOM 0 HE ARG A 523 -11.186 -5.436 -12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -9.676 -8.625 -12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -10.476 -9.224 -14.037 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -12.208 -6.217 -14.654 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -11.903 -7.868 -15.205 1.00 0.00 H new ATOM 1049 N ILE A 524 -7.127 -5.092 -8.534 1.00 0.00 N ATOM 1050 CA ILE A 524 -5.907 -4.377 -8.898 1.00 0.00 C ATOM 1051 C ILE A 524 -4.738 -5.347 -8.975 1.00 0.00 C ATOM 1052 O ILE A 524 -4.064 -5.457 -9.998 1.00 0.00 O ATOM 1053 CB ILE A 524 -5.580 -3.268 -7.879 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -6.790 -2.353 -7.681 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.369 -2.466 -8.335 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -7.347 -1.793 -8.973 1.00 0.00 C ATOM 0 H ILE A 524 -7.602 -4.721 -7.711 1.00 0.00 H new ATOM 0 HA ILE A 524 -6.071 -3.915 -9.872 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.341 -3.734 -6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -7.575 -2.909 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -6.507 -1.527 -7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -4.152 -1.687 -7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -3.508 -3.128 -8.427 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -4.579 -2.008 -9.302 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -8.202 -1.154 -8.754 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -6.578 -1.209 -9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -7.662 -2.613 -9.619 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.543 -6.081 -7.894 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.503 -7.089 -7.818 1.00 0.00 C ATOM 1070 C ILE A 525 -3.633 -7.974 -9.051 1.00 0.00 C ATOM 1071 O ILE A 525 -2.667 -8.236 -9.767 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.623 -7.968 -6.548 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.426 -7.271 -5.450 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.247 -8.321 -6.024 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -3.866 -5.925 -5.054 1.00 0.00 C ATOM 0 H ILE A 525 -5.101 -5.994 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.535 -6.590 -7.772 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.153 -8.878 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.454 -7.142 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -4.459 -7.915 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -2.345 -8.939 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.697 -8.871 -6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.707 -7.407 -5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.486 -5.489 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -2.848 -6.049 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -3.859 -5.264 -5.921 1.00 0.00 H new ATOM 1087 N ASN A 526 -4.879 -8.382 -9.297 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.237 -9.195 -10.456 1.00 0.00 C ATOM 1089 C ASN A 526 -4.800 -8.466 -11.708 1.00 0.00 C ATOM 1090 O ASN A 526 -4.118 -9.012 -12.576 1.00 0.00 O ATOM 1091 CB ASN A 526 -6.744 -9.408 -10.487 1.00 0.00 C ATOM 1092 CG ASN A 526 -7.139 -10.737 -11.092 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -6.292 -11.589 -11.363 1.00 0.00 O ATOM 1094 ND2 ASN A 526 -8.434 -10.918 -11.306 1.00 0.00 N ATOM 0 H ASN A 526 -5.670 -8.156 -8.694 1.00 0.00 H new ATOM 0 HA ASN A 526 -4.744 -10.166 -10.398 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -7.135 -9.346 -9.472 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -7.208 -8.603 -11.057 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -8.766 -11.793 -11.712 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -9.098 -10.183 -11.065 1.00 0.00 H new ATOM 1101 N ASN A 527 -5.163 -7.194 -11.739 1.00 0.00 N ATOM 1102 CA ASN A 527 -4.793 -6.293 -12.815 1.00 0.00 C ATOM 1103 C ASN A 527 -3.299 -6.446 -13.064 1.00 0.00 C ATOM 1104 O ASN A 527 -2.831 -6.413 -14.202 1.00 0.00 O ATOM 1105 CB ASN A 527 -5.188 -4.848 -12.476 1.00 0.00 C ATOM 1106 CG ASN A 527 -4.023 -3.878 -12.481 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -3.695 -3.360 -11.309 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -3.430 -3.601 -13.524 1.00 0.00 N flip ATOM 0 H ASN A 527 -5.727 -6.755 -11.011 1.00 0.00 H new ATOM 0 HA ASN A 527 -5.330 -6.544 -13.729 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -5.935 -4.508 -13.193 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -5.659 -4.831 -11.493 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -3.720 -4.027 -14.404 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -2.648 -2.946 -13.508 1.00 0.00 H new ATOM 1115 N ASN A 528 -2.559 -6.588 -11.967 1.00 0.00 N ATOM 1116 CA ASN A 528 -1.113 -6.720 -12.017 1.00 0.00 C ATOM 1117 C ASN A 528 -0.451 -5.389 -12.323 1.00 0.00 C ATOM 1118 O ASN A 528 0.533 -5.311 -13.059 1.00 0.00 O ATOM 1119 CB ASN A 528 -0.704 -7.760 -13.065 1.00 0.00 C ATOM 1120 CG ASN A 528 0.337 -8.730 -12.542 1.00 0.00 C ATOM 1121 OD1 ASN A 528 -0.101 -9.686 -11.730 1.00 0.00 O flip ATOM 1122 ND2 ASN A 528 1.520 -8.622 -12.863 1.00 0.00 N flip ATOM 0 H ASN A 528 -2.947 -6.614 -11.024 1.00 0.00 H new ATOM 0 HA ASN A 528 -0.776 -7.053 -11.035 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -1.586 -8.315 -13.385 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -0.312 -7.250 -13.945 1.00 0.00 H new ATOM 0 HD21 ASN A 528 1.812 -7.872 -13.490 1.00 0.00 H new ATOM 0 HD22 ASN A 528 2.209 -9.283 -12.502 1.00 0.00 H new ATOM 1129 N GLY A 529 -0.999 -4.344 -11.709 1.00 0.00 N ATOM 1130 CA GLY A 529 -0.454 -3.008 -11.872 1.00 0.00 C ATOM 1131 C GLY A 529 0.008 -2.420 -10.547 1.00 0.00 C ATOM 1132 O GLY A 529 -0.172 -1.229 -10.293 1.00 0.00 O ATOM 0 H GLY A 529 -1.814 -4.400 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 529 0.385 -3.040 -12.567 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -1.210 -2.359 -12.314 1.00 0.00 H new ATOM 1136 N ALA A 530 0.591 -3.266 -9.694 1.00 0.00 N ATOM 1137 CA ALA A 530 1.065 -2.838 -8.382 1.00 0.00 C ATOM 1138 C ALA A 530 2.490 -3.337 -8.081 1.00 0.00 C ATOM 1139 O ALA A 530 3.019 -4.227 -8.744 1.00 0.00 O ATOM 1140 CB ALA A 530 0.105 -3.301 -7.300 1.00 0.00 C ATOM 0 H ALA A 530 0.745 -4.255 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 530 1.102 -1.749 -8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.470 -2.975 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -0.881 -2.872 -7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 530 0.036 -4.389 -7.316 1.00 0.00 H new ATOM 1146 N TYR A 531 3.084 -2.724 -7.069 1.00 0.00 N ATOM 1147 CA TYR A 531 4.432 -3.018 -6.589 1.00 0.00 C ATOM 1148 C TYR A 531 4.413 -3.093 -5.060 1.00 0.00 C ATOM 1149 O TYR A 531 3.583 -2.442 -4.424 1.00 0.00 O ATOM 1150 CB TYR A 531 5.362 -1.894 -7.040 1.00 0.00 C ATOM 1151 CG TYR A 531 6.754 -2.339 -7.392 1.00 0.00 C ATOM 1152 CD1 TYR A 531 7.068 -2.743 -8.683 1.00 0.00 C ATOM 1153 CD2 TYR A 531 7.758 -2.339 -6.439 1.00 0.00 C ATOM 1154 CE1 TYR A 531 8.349 -3.135 -9.013 1.00 0.00 C ATOM 1155 CE2 TYR A 531 9.035 -2.730 -6.759 1.00 0.00 C ATOM 1156 CZ TYR A 531 9.331 -3.127 -8.047 1.00 0.00 C ATOM 1157 OH TYR A 531 10.611 -3.513 -8.370 1.00 0.00 O ATOM 0 H TYR A 531 2.628 -1.982 -6.539 1.00 0.00 H new ATOM 0 HA TYR A 531 4.781 -3.969 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 531 4.922 -1.401 -7.907 1.00 0.00 H new ATOM 0 HB3 TYR A 531 5.422 -1.149 -6.246 1.00 0.00 H new ATOM 0 HD1 TYR A 531 6.298 -2.750 -9.440 1.00 0.00 H new ATOM 0 HD2 TYR A 531 7.534 -2.027 -5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 531 8.580 -3.446 -10.021 1.00 0.00 H new ATOM 0 HE2 TYR A 531 9.807 -2.727 -6.003 1.00 0.00 H new ATOM 0 HH TYR A 531 11.244 -3.108 -7.741 1.00 0.00 H new ATOM 1167 N VAL A 532 5.326 -3.853 -4.459 1.00 0.00 N ATOM 1168 CA VAL A 532 5.370 -3.937 -2.999 1.00 0.00 C ATOM 1169 C VAL A 532 6.790 -3.781 -2.472 1.00 0.00 C ATOM 1170 O VAL A 532 7.748 -4.367 -2.994 1.00 0.00 O ATOM 1171 CB VAL A 532 4.733 -5.251 -2.466 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.782 -6.208 -1.903 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.686 -4.934 -1.408 1.00 0.00 C ATOM 0 H VAL A 532 6.030 -4.408 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 532 4.773 -3.106 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 532 4.255 -5.750 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 532 5.293 -7.113 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 532 6.494 -6.469 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 532 6.309 -5.727 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 532 3.246 -5.862 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 532 4.155 -4.403 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.906 -4.310 -1.844 1.00 0.00 H new ATOM 1183 N GLY A 533 6.901 -2.979 -1.423 1.00 0.00 N ATOM 1184 CA GLY A 533 8.185 -2.731 -0.813 1.00 0.00 C ATOM 1185 C GLY A 533 8.166 -2.845 0.696 1.00 0.00 C ATOM 1186 O GLY A 533 7.153 -2.576 1.343 1.00 0.00 O ATOM 0 H GLY A 533 6.118 -2.495 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.912 -3.437 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.524 -1.733 -1.090 1.00 0.00 H new ATOM 1190 N SER A 534 9.298 -3.239 1.251 1.00 0.00 N ATOM 1191 CA SER A 534 9.437 -3.371 2.703 1.00 0.00 C ATOM 1192 C SER A 534 10.745 -2.760 3.192 1.00 0.00 C ATOM 1193 O SER A 534 11.791 -2.965 2.581 1.00 0.00 O ATOM 1194 CB SER A 534 9.361 -4.835 3.124 1.00 0.00 C ATOM 1195 OG SER A 534 8.106 -5.123 3.715 1.00 0.00 O ATOM 0 H SER A 534 10.139 -3.475 0.724 1.00 0.00 H new ATOM 0 HA SER A 534 8.610 -2.828 3.160 1.00 0.00 H new ATOM 0 HB2 SER A 534 9.515 -5.476 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 534 10.161 -5.057 3.831 1.00 0.00 H new ATOM 0 HG SER A 534 8.242 -5.644 4.534 1.00 0.00 H new ATOM 1201 N ARG A 535 10.693 -2.029 4.302 1.00 0.00 N ATOM 1202 CA ARG A 535 11.904 -1.427 4.855 1.00 0.00 C ATOM 1203 C ARG A 535 11.746 -1.073 6.333 1.00 0.00 C ATOM 1204 O ARG A 535 11.347 0.039 6.672 1.00 0.00 O ATOM 1205 CB ARG A 535 12.274 -0.185 4.045 1.00 0.00 C ATOM 1206 CG ARG A 535 13.323 0.706 4.701 1.00 0.00 C ATOM 1207 CD ARG A 535 14.509 -0.098 5.214 1.00 0.00 C ATOM 1208 NE ARG A 535 15.611 0.762 5.638 1.00 0.00 N ATOM 1209 CZ ARG A 535 15.582 1.522 6.731 1.00 0.00 C ATOM 1210 NH1 ARG A 535 14.510 1.531 7.513 1.00 0.00 N ATOM 1211 NH2 ARG A 535 16.628 2.274 7.043 1.00 0.00 N ATOM 0 H ARG A 535 9.841 -1.841 4.830 1.00 0.00 H new ATOM 0 HA ARG A 535 12.706 -2.162 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 535 12.642 -0.500 3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.373 0.403 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 535 13.671 1.448 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 535 12.870 1.252 5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 535 14.191 -0.719 6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 535 14.856 -0.772 4.431 1.00 0.00 H new ATOM 0 HE ARG A 535 16.453 0.782 5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 535 13.703 0.954 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 535 14.493 2.115 8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 535 17.455 2.270 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 535 16.606 2.856 7.880 1.00 0.00 H new ATOM 1401 N ASP A 549 14.885 -8.080 2.968 1.00 0.00 N ATOM 1402 CA ASP A 549 13.893 -7.614 3.919 1.00 0.00 C ATOM 1403 C ASP A 549 14.042 -6.113 4.113 1.00 0.00 C ATOM 1404 O ASP A 549 13.088 -5.423 4.472 1.00 0.00 O ATOM 1405 CB ASP A 549 14.049 -8.338 5.258 1.00 0.00 C ATOM 1406 CG ASP A 549 13.268 -9.637 5.311 1.00 0.00 C ATOM 1407 OD1 ASP A 549 12.458 -9.881 4.392 1.00 0.00 O ATOM 1408 OD2 ASP A 549 13.467 -10.410 6.271 1.00 0.00 O ATOM 0 HA ASP A 549 12.899 -7.831 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 549 15.104 -8.545 5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 549 13.714 -7.683 6.062 1.00 0.00 H new ATOM 1413 N ASP A 550 15.249 -5.611 3.854 1.00 0.00 N ATOM 1414 CA ASP A 550 15.519 -4.195 3.981 1.00 0.00 C ATOM 1415 C ASP A 550 14.707 -3.429 2.948 1.00 0.00 C ATOM 1416 O ASP A 550 14.063 -2.430 3.254 1.00 0.00 O ATOM 1417 CB ASP A 550 17.012 -3.911 3.799 1.00 0.00 C ATOM 1418 CG ASP A 550 17.835 -4.350 4.994 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.249 -4.541 6.081 1.00 0.00 O ATOM 1420 OD2 ASP A 550 19.065 -4.502 4.844 1.00 0.00 O ATOM 0 H ASP A 550 16.049 -6.170 3.556 1.00 0.00 H new ATOM 0 HA ASP A 550 15.231 -3.869 4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 550 17.370 -4.424 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 550 17.158 -2.844 3.633 1.00 0.00 H new ATOM 1425 N LEU A 551 14.736 -3.931 1.722 1.00 0.00 N ATOM 1426 CA LEU A 551 13.993 -3.337 0.622 1.00 0.00 C ATOM 1427 C LEU A 551 13.223 -4.423 -0.113 1.00 0.00 C ATOM 1428 O LEU A 551 13.726 -5.528 -0.290 1.00 0.00 O ATOM 1429 CB LEU A 551 14.938 -2.623 -0.346 1.00 0.00 C ATOM 1430 CG LEU A 551 14.310 -2.219 -1.685 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.364 -1.042 -1.499 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.392 -1.881 -2.700 1.00 0.00 C ATOM 0 H LEU A 551 15.273 -4.758 1.463 1.00 0.00 H new ATOM 0 HA LEU A 551 13.296 -2.602 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.325 -1.728 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.791 -3.273 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 551 13.734 -3.064 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.928 -0.770 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.570 -1.320 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.915 -0.192 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 551 14.929 -1.596 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.995 -1.053 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 551 16.029 -2.752 -2.856 1.00 0.00 H new ATOM 1444 N THR A 552 12.013 -4.118 -0.552 1.00 0.00 N ATOM 1445 CA THR A 552 11.228 -5.103 -1.278 1.00 0.00 C ATOM 1446 C THR A 552 10.633 -4.514 -2.546 1.00 0.00 C ATOM 1447 O THR A 552 10.291 -3.336 -2.607 1.00 0.00 O ATOM 1448 CB THR A 552 10.135 -5.708 -0.399 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.694 -6.228 0.793 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.380 -6.831 -1.077 1.00 0.00 C ATOM 0 H THR A 552 11.559 -3.214 -0.422 1.00 0.00 H new ATOM 0 HA THR A 552 11.908 -5.905 -1.566 1.00 0.00 H new ATOM 0 HB THR A 552 9.438 -4.896 -0.192 1.00 0.00 H new ATOM 0 HG1 THR A 552 10.883 -7.182 0.676 1.00 0.00 H new ATOM 0 HG21 THR A 552 8.618 -7.218 -0.400 1.00 0.00 H new ATOM 0 HG22 THR A 552 8.904 -6.455 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 552 10.074 -7.631 -1.337 1.00 0.00 H new ATOM 1458 N PHE A 553 10.507 -5.372 -3.540 1.00 0.00 N ATOM 1459 CA PHE A 553 9.947 -5.031 -4.833 1.00 0.00 C ATOM 1460 C PHE A 553 8.929 -6.102 -5.200 1.00 0.00 C ATOM 1461 O PHE A 553 9.164 -7.280 -4.940 1.00 0.00 O ATOM 1462 CB PHE A 553 11.062 -4.965 -5.892 1.00 0.00 C ATOM 1463 CG PHE A 553 11.861 -3.679 -5.902 1.00 0.00 C ATOM 1464 CD1 PHE A 553 11.599 -2.662 -4.993 1.00 0.00 C ATOM 1465 CD2 PHE A 553 12.869 -3.486 -6.833 1.00 0.00 C ATOM 1466 CE1 PHE A 553 12.321 -1.487 -5.012 1.00 0.00 C ATOM 1467 CE2 PHE A 553 13.595 -2.308 -6.857 1.00 0.00 C ATOM 1468 CZ PHE A 553 13.319 -1.308 -5.943 1.00 0.00 C ATOM 0 H PHE A 553 10.798 -6.347 -3.469 1.00 0.00 H new ATOM 0 HA PHE A 553 9.465 -4.054 -4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.746 -5.798 -5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.616 -5.105 -6.877 1.00 0.00 H new ATOM 0 HD1 PHE A 553 10.817 -2.793 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 553 13.091 -4.264 -7.548 1.00 0.00 H new ATOM 0 HE1 PHE A 553 12.103 -0.708 -4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 553 14.377 -2.170 -7.589 1.00 0.00 H new ATOM 0 HZ PHE A 553 13.885 -0.388 -5.959 1.00 0.00 H new ATOM 1478 N THR A 554 7.793 -5.727 -5.772 1.00 0.00 N ATOM 1479 CA THR A 554 6.790 -6.736 -6.107 1.00 0.00 C ATOM 1480 C THR A 554 6.271 -6.637 -7.533 1.00 0.00 C ATOM 1481 O THR A 554 6.033 -5.548 -8.056 1.00 0.00 O ATOM 1482 CB THR A 554 5.630 -6.696 -5.101 1.00 0.00 C ATOM 1483 OG1 THR A 554 5.424 -7.978 -4.536 1.00 0.00 O ATOM 1484 CG2 THR A 554 4.294 -6.232 -5.665 1.00 0.00 C ATOM 0 H THR A 554 7.545 -4.766 -6.009 1.00 0.00 H new ATOM 0 HA THR A 554 7.296 -7.699 -6.041 1.00 0.00 H new ATOM 0 HB THR A 554 5.945 -5.958 -4.363 1.00 0.00 H new ATOM 0 HG1 THR A 554 4.463 -8.141 -4.436 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.543 -6.240 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 554 4.397 -5.221 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 554 3.985 -6.903 -6.466 1.00 0.00 H new ATOM 1492 N PRO A 555 6.043 -7.806 -8.160 1.00 0.00 N ATOM 1493 CA PRO A 555 5.497 -7.891 -9.498 1.00 0.00 C ATOM 1494 C PRO A 555 3.973 -7.899 -9.444 1.00 0.00 C ATOM 1495 O PRO A 555 3.307 -7.976 -10.475 1.00 0.00 O ATOM 1496 CB PRO A 555 6.028 -9.232 -9.989 1.00 0.00 C ATOM 1497 CG PRO A 555 6.075 -10.084 -8.764 1.00 0.00 C ATOM 1498 CD PRO A 555 6.257 -9.151 -7.587 1.00 0.00 C ATOM 0 HA PRO A 555 5.773 -7.056 -10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 555 5.376 -9.664 -10.748 1.00 0.00 H new ATOM 0 HB3 PRO A 555 7.015 -9.128 -10.439 1.00 0.00 H new ATOM 0 HG2 PRO A 555 5.157 -10.662 -8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 555 6.897 -10.798 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.541 -9.365 -6.794 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.252 -9.246 -7.153 1.00 0.00 H new ATOM 1506 N ILE A 556 3.437 -7.805 -8.216 1.00 0.00 N ATOM 1507 CA ILE A 556 2.000 -7.773 -7.987 1.00 0.00 C ATOM 1508 C ILE A 556 1.280 -9.041 -8.432 1.00 0.00 C ATOM 1509 O ILE A 556 0.137 -8.984 -8.885 1.00 0.00 O ATOM 1510 CB ILE A 556 1.310 -6.525 -8.533 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.076 -6.375 -7.906 1.00 0.00 C ATOM 1512 CG2 ILE A 556 1.207 -6.581 -10.024 1.00 0.00 C ATOM 1513 CD1 ILE A 556 -0.061 -6.400 -6.392 1.00 0.00 C ATOM 0 H ILE A 556 3.993 -7.750 -7.363 1.00 0.00 H new ATOM 0 HA ILE A 556 1.915 -7.724 -6.901 1.00 0.00 H new ATOM 0 HB ILE A 556 1.912 -5.655 -8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.518 -5.437 -8.241 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.719 -7.178 -8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.712 -5.681 -10.389 1.00 0.00 H new ATOM 0 HG22 ILE A 556 2.206 -6.646 -10.456 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.628 -7.457 -10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -1.078 -6.289 -6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.351 -7.349 -6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.555 -5.581 -6.021 1.00 0.00 H new ATOM 1525 N LYS A 557 1.933 -10.182 -8.303 1.00 0.00 N ATOM 1526 CA LYS A 557 1.316 -11.437 -8.700 1.00 0.00 C ATOM 1527 C LYS A 557 0.897 -12.109 -7.415 1.00 0.00 C ATOM 1528 O LYS A 557 1.522 -11.912 -6.380 1.00 0.00 O ATOM 1529 CB LYS A 557 2.298 -12.316 -9.479 1.00 0.00 C ATOM 1530 CG LYS A 557 2.338 -12.013 -10.968 1.00 0.00 C ATOM 1531 CD LYS A 557 3.436 -12.799 -11.666 1.00 0.00 C ATOM 1532 CE LYS A 557 3.031 -13.187 -13.079 1.00 0.00 C ATOM 1533 NZ LYS A 557 4.201 -13.613 -13.895 1.00 0.00 N ATOM 0 H LYS A 557 2.879 -10.267 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 557 0.467 -11.269 -9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.297 -12.186 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.027 -13.362 -9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.374 -12.255 -11.416 1.00 0.00 H new ATOM 0 HG3 LYS A 557 2.500 -10.946 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.348 -12.202 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.663 -13.697 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.303 -13.997 -13.038 1.00 0.00 H new ATOM 0 HE3 LYS A 557 2.541 -12.341 -13.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 3.882 -13.869 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 4.885 -12.832 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 4.654 -14.436 -13.449 1.00 0.00 H new ATOM 1547 N THR A 558 -0.248 -12.764 -7.434 1.00 0.00 N ATOM 1548 CA THR A 558 -0.793 -13.271 -6.193 1.00 0.00 C ATOM 1549 C THR A 558 0.124 -14.220 -5.428 1.00 0.00 C ATOM 1550 O THR A 558 0.391 -15.350 -5.836 1.00 0.00 O ATOM 1551 CB THR A 558 -2.130 -13.962 -6.459 1.00 0.00 C ATOM 1552 OG1 THR A 558 -2.605 -14.600 -5.288 1.00 0.00 O ATOM 1553 CG2 THR A 558 -2.057 -15.004 -7.554 1.00 0.00 C ATOM 0 H THR A 558 -0.803 -12.953 -8.268 1.00 0.00 H new ATOM 0 HA THR A 558 -0.917 -12.397 -5.553 1.00 0.00 H new ATOM 0 HB THR A 558 -2.807 -13.170 -6.779 1.00 0.00 H new ATOM 0 HG1 THR A 558 -3.462 -15.035 -5.477 1.00 0.00 H new ATOM 0 HG21 THR A 558 -3.039 -15.456 -7.692 1.00 0.00 H new ATOM 0 HG22 THR A 558 -1.740 -14.533 -8.484 1.00 0.00 H new ATOM 0 HG23 THR A 558 -1.339 -15.775 -7.275 1.00 0.00 H new ATOM 1561 N TRP A 559 0.492 -13.739 -4.243 1.00 0.00 N ATOM 1562 CA TRP A 559 1.267 -14.473 -3.253 1.00 0.00 C ATOM 1563 C TRP A 559 0.646 -14.133 -1.905 1.00 0.00 C ATOM 1564 O TRP A 559 0.694 -12.973 -1.500 1.00 0.00 O ATOM 1565 CB TRP A 559 2.761 -14.111 -3.271 1.00 0.00 C ATOM 1566 CG TRP A 559 3.134 -12.971 -4.176 1.00 0.00 C ATOM 1567 CD1 TRP A 559 3.869 -13.052 -5.324 1.00 0.00 C ATOM 1568 CD2 TRP A 559 2.817 -11.582 -4.000 1.00 0.00 C ATOM 1569 NE1 TRP A 559 4.026 -11.804 -5.874 1.00 0.00 N ATOM 1570 CE2 TRP A 559 3.389 -10.885 -5.082 1.00 0.00 C ATOM 1571 CE3 TRP A 559 2.104 -10.860 -3.040 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 3.270 -9.508 -5.227 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 1.987 -9.490 -3.185 1.00 0.00 C ATOM 1574 CH2 TRP A 559 2.567 -8.827 -4.272 1.00 0.00 C ATOM 0 H TRP A 559 0.250 -12.796 -3.938 1.00 0.00 H new ATOM 0 HA TRP A 559 1.232 -15.541 -3.468 1.00 0.00 H new ATOM 0 HB2 TRP A 559 3.070 -13.863 -2.256 1.00 0.00 H new ATOM 0 HB3 TRP A 559 3.328 -14.992 -3.571 1.00 0.00 H new ATOM 0 HD1 TRP A 559 4.269 -13.965 -5.739 1.00 0.00 H new ATOM 0 HE1 TRP A 559 4.534 -11.595 -6.733 1.00 0.00 H new ATOM 0 HE3 TRP A 559 1.652 -11.364 -2.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 3.717 -8.994 -6.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 1.439 -8.923 -2.447 1.00 0.00 H new ATOM 0 HH2 TRP A 559 2.457 -7.756 -4.359 1.00 0.00 H new ATOM 1585 N ASN A 560 0.009 -15.071 -1.223 1.00 0.00 N ATOM 1586 CA ASN A 560 -0.638 -14.692 0.027 1.00 0.00 C ATOM 1587 C ASN A 560 0.307 -14.686 1.225 1.00 0.00 C ATOM 1588 O ASN A 560 0.712 -13.623 1.683 1.00 0.00 O ATOM 1589 CB ASN A 560 -1.811 -15.632 0.308 1.00 0.00 C ATOM 1590 CG ASN A 560 -2.974 -15.403 -0.639 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -3.423 -14.273 -0.827 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -3.468 -16.479 -1.240 1.00 0.00 N ATOM 0 H ASN A 560 -0.075 -16.051 -1.492 1.00 0.00 H new ATOM 0 HA ASN A 560 -0.986 -13.668 -0.104 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -1.474 -16.665 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.149 -15.491 1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -4.251 -16.387 -1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -3.064 -17.397 -1.054 1.00 0.00 H new ATOM 1599 N ALA A 561 0.631 -15.864 1.736 1.00 0.00 N ATOM 1600 CA ALA A 561 1.504 -15.994 2.903 1.00 0.00 C ATOM 1601 C ALA A 561 2.993 -15.765 2.637 1.00 0.00 C ATOM 1602 O ALA A 561 3.663 -15.038 3.374 1.00 0.00 O ATOM 1603 CB ALA A 561 1.271 -17.323 3.578 1.00 0.00 C ATOM 0 H ALA A 561 0.302 -16.753 1.360 1.00 0.00 H new ATOM 0 HA ALA A 561 1.222 -15.178 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.925 -17.410 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 561 0.232 -17.391 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 561 1.487 -18.130 2.878 1.00 0.00 H new ATOM 1609 N SER A 562 3.522 -16.436 1.628 1.00 0.00 N ATOM 1610 CA SER A 562 4.945 -16.351 1.314 1.00 0.00 C ATOM 1611 C SER A 562 5.457 -14.914 1.230 1.00 0.00 C ATOM 1612 O SER A 562 6.428 -14.548 1.902 1.00 0.00 O ATOM 1613 CB SER A 562 5.236 -17.078 0.000 1.00 0.00 C ATOM 1614 OG SER A 562 5.137 -18.483 0.161 1.00 0.00 O ATOM 0 H SER A 562 2.990 -17.048 1.009 1.00 0.00 H new ATOM 0 HA SER A 562 5.474 -16.831 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 562 4.535 -16.746 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 562 6.235 -16.818 -0.349 1.00 0.00 H new ATOM 0 HG SER A 562 5.326 -18.924 -0.693 1.00 0.00 H new ATOM 1620 N LYS A 563 4.821 -14.107 0.397 1.00 0.00 N ATOM 1621 CA LYS A 563 5.247 -12.726 0.214 1.00 0.00 C ATOM 1622 C LYS A 563 4.955 -11.873 1.433 1.00 0.00 C ATOM 1623 O LYS A 563 5.813 -11.124 1.885 1.00 0.00 O ATOM 1624 CB LYS A 563 4.604 -12.109 -1.028 1.00 0.00 C ATOM 1625 CG LYS A 563 5.391 -12.355 -2.310 1.00 0.00 C ATOM 1626 CD LYS A 563 6.866 -12.018 -2.144 1.00 0.00 C ATOM 1627 CE LYS A 563 7.713 -13.274 -2.002 1.00 0.00 C ATOM 1628 NZ LYS A 563 9.112 -12.958 -1.602 1.00 0.00 N ATOM 0 H LYS A 563 4.012 -14.380 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 563 6.328 -12.748 0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 563 3.599 -12.514 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 563 4.499 -11.035 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 563 5.288 -13.399 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 563 4.970 -11.754 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 563 7.208 -11.443 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 563 6.999 -11.387 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 563 7.263 -13.933 -1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 563 7.719 -13.816 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 9.418 -13.617 -0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 9.739 -13.052 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 9.158 -11.984 -1.241 1.00 0.00 H new ATOM 1642 N THR A 564 3.745 -11.966 1.953 1.00 0.00 N ATOM 1643 CA THR A 564 3.354 -11.169 3.110 1.00 0.00 C ATOM 1644 C THR A 564 4.389 -11.261 4.231 1.00 0.00 C ATOM 1645 O THR A 564 5.114 -10.306 4.491 1.00 0.00 O ATOM 1646 CB THR A 564 1.982 -11.608 3.611 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.648 -10.944 4.811 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.873 -13.080 3.865 1.00 0.00 C ATOM 0 H THR A 564 3.015 -12.583 1.596 1.00 0.00 H new ATOM 0 HA THR A 564 3.301 -10.126 2.797 1.00 0.00 H new ATOM 0 HB THR A 564 1.295 -11.347 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 564 0.676 -10.960 4.934 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.869 -13.315 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 564 2.069 -13.624 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.602 -13.374 4.620 1.00 0.00 H new ATOM 1656 N GLN A 565 4.464 -12.410 4.882 1.00 0.00 N ATOM 1657 CA GLN A 565 5.413 -12.617 5.964 1.00 0.00 C ATOM 1658 C GLN A 565 6.822 -12.187 5.563 1.00 0.00 C ATOM 1659 O GLN A 565 7.519 -11.523 6.328 1.00 0.00 O ATOM 1660 CB GLN A 565 5.417 -14.082 6.408 1.00 0.00 C ATOM 1661 CG GLN A 565 5.332 -14.258 7.917 1.00 0.00 C ATOM 1662 CD GLN A 565 6.323 -13.386 8.666 1.00 0.00 C ATOM 1663 OE1 GLN A 565 5.918 -12.157 8.974 1.00 0.00 O flip ATOM 1664 NE2 GLN A 565 7.439 -13.811 8.965 1.00 0.00 N flip ATOM 0 H GLN A 565 3.876 -13.218 4.679 1.00 0.00 H new ATOM 0 HA GLN A 565 5.095 -11.995 6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 565 4.577 -14.597 5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 565 6.326 -14.561 6.045 1.00 0.00 H new ATOM 0 HG2 GLN A 565 4.322 -14.021 8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 565 5.513 -15.303 8.167 1.00 0.00 H new ATOM 0 HE21 GLN A 565 7.708 -14.761 8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 565 8.094 -13.213 9.469 1.00 0.00 H new ATOM 1673 N GLU A 566 7.246 -12.601 4.376 1.00 0.00 N ATOM 1674 CA GLU A 566 8.587 -12.293 3.888 1.00 0.00 C ATOM 1675 C GLU A 566 8.938 -10.811 4.027 1.00 0.00 C ATOM 1676 O GLU A 566 9.912 -10.459 4.693 1.00 0.00 O ATOM 1677 CB GLU A 566 8.710 -12.715 2.419 1.00 0.00 C ATOM 1678 CG GLU A 566 10.023 -12.306 1.765 1.00 0.00 C ATOM 1679 CD GLU A 566 11.158 -13.255 2.094 1.00 0.00 C ATOM 1680 OE1 GLU A 566 11.251 -14.317 1.443 1.00 0.00 O ATOM 1681 OE2 GLU A 566 11.953 -12.938 3.003 1.00 0.00 O ATOM 0 H GLU A 566 6.680 -13.152 3.731 1.00 0.00 H new ATOM 0 HA GLU A 566 9.291 -12.852 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.605 -13.798 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 566 7.884 -12.279 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 566 9.889 -12.266 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.289 -11.300 2.091 1.00 0.00 H new ATOM 1688 N PHE A 567 8.177 -9.956 3.361 1.00 0.00 N ATOM 1689 CA PHE A 567 8.448 -8.527 3.375 1.00 0.00 C ATOM 1690 C PHE A 567 7.608 -7.768 4.405 1.00 0.00 C ATOM 1691 O PHE A 567 8.098 -6.867 5.082 1.00 0.00 O ATOM 1692 CB PHE A 567 8.239 -7.963 1.956 1.00 0.00 C ATOM 1693 CG PHE A 567 6.918 -7.271 1.732 1.00 0.00 C ATOM 1694 CD1 PHE A 567 5.730 -7.976 1.808 1.00 0.00 C ATOM 1695 CD2 PHE A 567 6.869 -5.917 1.444 1.00 0.00 C ATOM 1696 CE1 PHE A 567 4.520 -7.347 1.607 1.00 0.00 C ATOM 1697 CE2 PHE A 567 5.660 -5.282 1.240 1.00 0.00 C ATOM 1698 CZ PHE A 567 4.485 -5.999 1.323 1.00 0.00 C ATOM 0 H PHE A 567 7.367 -10.227 2.804 1.00 0.00 H new ATOM 0 HA PHE A 567 9.484 -8.383 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 567 9.042 -7.258 1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 567 8.330 -8.780 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 567 5.751 -9.033 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 567 7.787 -5.352 1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 567 3.601 -7.910 1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 567 5.635 -4.226 1.016 1.00 0.00 H new ATOM 0 HZ PHE A 567 3.538 -5.504 1.166 1.00 0.00 H new ATOM 1708 N ILE A 568 6.349 -8.142 4.511 1.00 0.00 N ATOM 1709 CA ILE A 568 5.407 -7.516 5.434 1.00 0.00 C ATOM 1710 C ILE A 568 5.781 -7.674 6.883 1.00 0.00 C ATOM 1711 O ILE A 568 5.010 -7.298 7.767 1.00 0.00 O ATOM 1712 CB ILE A 568 3.960 -7.975 5.182 1.00 0.00 C ATOM 1713 CG1 ILE A 568 3.030 -6.769 5.105 1.00 0.00 C ATOM 1714 CG2 ILE A 568 3.477 -8.949 6.253 1.00 0.00 C ATOM 1715 CD1 ILE A 568 3.514 -5.687 4.165 1.00 0.00 C ATOM 0 H ILE A 568 5.941 -8.895 3.957 1.00 0.00 H new ATOM 0 HA ILE A 568 5.467 -6.449 5.220 1.00 0.00 H new ATOM 0 HB ILE A 568 3.944 -8.503 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 568 2.043 -7.102 4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 568 2.914 -6.346 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 568 2.451 -9.248 6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 568 4.118 -9.830 6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.516 -8.465 7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 568 2.802 -4.862 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 568 4.487 -5.325 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 568 3.602 -6.093 3.157 1.00 0.00 H new ATOM 1727 N ILE A 569 6.957 -8.192 7.145 1.00 0.00 N ATOM 1728 CA ILE A 569 7.374 -8.333 8.516 1.00 0.00 C ATOM 1729 C ILE A 569 7.252 -6.950 9.104 1.00 0.00 C ATOM 1730 O ILE A 569 6.705 -6.758 10.190 1.00 0.00 O ATOM 1731 CB ILE A 569 8.837 -8.800 8.624 1.00 0.00 C ATOM 1732 CG1 ILE A 569 9.744 -7.913 7.746 1.00 0.00 C ATOM 1733 CG2 ILE A 569 8.954 -10.268 8.236 1.00 0.00 C ATOM 1734 CD1 ILE A 569 11.032 -8.580 7.312 1.00 0.00 C ATOM 0 H ILE A 569 7.626 -8.515 6.446 1.00 0.00 H new ATOM 0 HA ILE A 569 6.767 -9.078 9.031 1.00 0.00 H new ATOM 0 HB ILE A 569 9.167 -8.701 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 569 9.188 -7.610 6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 569 9.986 -7.004 8.296 1.00 0.00 H new ATOM 0 HG21 ILE A 569 9.994 -10.584 8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 569 8.338 -10.871 8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 569 8.613 -10.401 7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 569 11.611 -7.889 6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 569 11.612 -8.858 8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 569 10.801 -9.474 6.732 1.00 0.00 H new ATOM 1746 N ASP A 570 7.653 -5.979 8.291 1.00 0.00 N ATOM 1747 CA ASP A 570 7.484 -4.578 8.616 1.00 0.00 C ATOM 1748 C ASP A 570 7.612 -4.307 10.094 1.00 0.00 C ATOM 1749 O ASP A 570 6.651 -3.828 10.702 1.00 0.00 O ATOM 1750 CB ASP A 570 6.108 -4.119 8.153 1.00 0.00 C ATOM 1751 CG ASP A 570 5.745 -4.664 6.793 1.00 0.00 C ATOM 1752 OD1 ASP A 570 6.579 -4.571 5.868 1.00 0.00 O ATOM 1753 OD2 ASP A 570 4.623 -5.190 6.654 1.00 0.00 O ATOM 0 H ASP A 570 8.103 -6.146 7.391 1.00 0.00 H new ATOM 0 HA ASP A 570 8.276 -4.029 8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.359 -4.435 8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 570 6.083 -3.030 8.123 1.00 0.00 H new ATOM 1758 N GLY A 571 8.753 -4.586 10.701 1.00 0.00 N ATOM 1759 CA GLY A 571 8.827 -4.300 12.110 1.00 0.00 C ATOM 1760 C GLY A 571 8.397 -2.873 12.324 1.00 0.00 C ATOM 1761 O GLY A 571 7.556 -2.584 13.176 1.00 0.00 O ATOM 0 H GLY A 571 9.587 -4.984 10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.184 -4.979 12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 571 9.843 -4.450 12.475 1.00 0.00 H new ATOM 1765 N ASP A 572 8.920 -1.987 11.481 1.00 0.00 N ATOM 1766 CA ASP A 572 8.526 -0.598 11.514 1.00 0.00 C ATOM 1767 C ASP A 572 7.927 -0.112 10.184 1.00 0.00 C ATOM 1768 O ASP A 572 7.339 0.970 10.147 1.00 0.00 O ATOM 1769 CB ASP A 572 9.726 0.275 11.884 1.00 0.00 C ATOM 1770 CG ASP A 572 10.247 -0.018 13.277 1.00 0.00 C ATOM 1771 OD1 ASP A 572 9.432 -0.048 14.222 1.00 0.00 O ATOM 1772 OD2 ASP A 572 11.471 -0.220 13.422 1.00 0.00 O ATOM 0 H ASP A 572 9.616 -2.214 10.771 1.00 0.00 H new ATOM 0 HA ASP A 572 7.745 -0.510 12.269 1.00 0.00 H new ATOM 0 HB2 ASP A 572 10.525 0.116 11.160 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.441 1.325 11.819 1.00 0.00 H new ATOM 1777 N LEU A 573 8.118 -0.852 9.066 1.00 0.00 N ATOM 1778 CA LEU A 573 7.616 -0.351 7.787 1.00 0.00 C ATOM 1779 C LEU A 573 6.989 -1.369 6.860 1.00 0.00 C ATOM 1780 O LEU A 573 7.539 -2.432 6.594 1.00 0.00 O ATOM 1781 CB LEU A 573 8.734 0.363 7.037 1.00 0.00 C ATOM 1782 CG LEU A 573 8.267 1.346 5.962 1.00 0.00 C ATOM 1783 CD1 LEU A 573 8.244 2.764 6.509 1.00 0.00 C ATOM 1784 CD2 LEU A 573 9.164 1.259 4.736 1.00 0.00 C ATOM 0 H LEU A 573 8.594 -1.754 9.031 1.00 0.00 H new ATOM 0 HA LEU A 573 6.804 0.319 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.348 0.902 7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.374 -0.386 6.570 1.00 0.00 H new ATOM 0 HG LEU A 573 7.253 1.077 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.909 3.449 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.560 2.816 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.246 3.045 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.818 1.965 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 573 10.189 1.502 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 573 9.129 0.248 4.331 1.00 0.00 H new ATOM 1796 N LEU A 574 5.881 -0.950 6.289 1.00 0.00 N ATOM 1797 CA LEU A 574 5.192 -1.699 5.269 1.00 0.00 C ATOM 1798 C LEU A 574 4.827 -0.687 4.181 1.00 0.00 C ATOM 1799 O LEU A 574 4.289 0.371 4.498 1.00 0.00 O ATOM 1800 CB LEU A 574 3.925 -2.354 5.842 1.00 0.00 C ATOM 1801 CG LEU A 574 2.637 -2.142 5.040 1.00 0.00 C ATOM 1802 CD1 LEU A 574 2.782 -2.711 3.635 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.457 -2.781 5.757 1.00 0.00 C ATOM 0 H LEU A 574 5.429 -0.067 6.526 1.00 0.00 H new ATOM 0 HA LEU A 574 5.814 -2.503 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 574 4.102 -3.426 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.768 -1.973 6.851 1.00 0.00 H new ATOM 0 HG LEU A 574 2.453 -1.071 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 574 1.857 -2.551 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 574 3.604 -2.210 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 574 2.989 -3.779 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 574 0.549 -2.622 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 574 1.635 -3.851 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.341 -2.328 6.742 1.00 0.00 H new ATOM 1815 N ILE A 575 5.066 -0.987 2.922 1.00 0.00 N ATOM 1816 CA ILE A 575 4.682 -0.051 1.855 1.00 0.00 C ATOM 1817 C ILE A 575 4.000 -0.767 0.710 1.00 0.00 C ATOM 1818 O ILE A 575 4.440 -1.831 0.270 1.00 0.00 O ATOM 1819 CB ILE A 575 5.858 0.775 1.278 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.206 0.144 1.619 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.787 2.211 1.781 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.397 1.008 1.258 1.00 0.00 C ATOM 0 H ILE A 575 5.513 -1.847 2.604 1.00 0.00 H new ATOM 0 HA ILE A 575 3.996 0.643 2.341 1.00 0.00 H new ATOM 0 HB ILE A 575 5.768 0.780 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.236 -0.071 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.291 -0.810 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.619 2.782 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 575 4.846 2.661 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.846 2.219 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.317 0.491 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.394 1.202 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.338 1.953 1.798 1.00 0.00 H new ATOM 1834 N LEU A 576 2.952 -0.152 0.203 1.00 0.00 N ATOM 1835 CA LEU A 576 2.225 -0.688 -0.921 1.00 0.00 C ATOM 1836 C LEU A 576 2.010 0.418 -1.924 1.00 0.00 C ATOM 1837 O LEU A 576 1.618 1.525 -1.555 1.00 0.00 O ATOM 1838 CB LEU A 576 0.866 -1.241 -0.457 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.373 -0.744 -1.237 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.602 -1.594 -2.485 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.595 -0.783 -0.339 1.00 0.00 C ATOM 0 H LEU A 576 2.584 0.730 0.559 1.00 0.00 H new ATOM 0 HA LEU A 576 2.793 -1.500 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.898 -2.329 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.734 -0.988 0.595 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.198 0.284 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.479 -1.227 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 576 0.271 -1.530 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -0.763 -2.632 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.465 -0.432 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.767 -1.806 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.432 -0.140 0.526 1.00 0.00 H new ATOM 1853 N LYS A 577 2.225 0.135 -3.185 1.00 0.00 N ATOM 1854 CA LYS A 577 1.997 1.149 -4.195 1.00 0.00 C ATOM 1855 C LYS A 577 1.193 0.584 -5.343 1.00 0.00 C ATOM 1856 O LYS A 577 1.482 -0.500 -5.837 1.00 0.00 O ATOM 1857 CB LYS A 577 3.326 1.700 -4.714 1.00 0.00 C ATOM 1858 CG LYS A 577 4.346 1.956 -3.622 1.00 0.00 C ATOM 1859 CD LYS A 577 5.764 2.019 -4.179 1.00 0.00 C ATOM 1860 CE LYS A 577 6.048 3.363 -4.828 1.00 0.00 C ATOM 1861 NZ LYS A 577 7.432 3.834 -4.548 1.00 0.00 N ATOM 0 H LYS A 577 2.550 -0.766 -3.535 1.00 0.00 H new ATOM 0 HA LYS A 577 1.434 1.962 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 577 3.745 0.996 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 577 3.139 2.630 -5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 577 4.111 2.893 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 577 4.284 1.166 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 577 6.480 1.843 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 577 5.904 1.223 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 577 5.903 3.284 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 577 5.333 4.100 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 7.585 4.754 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 7.563 3.934 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 8.115 3.143 -4.919 1.00 0.00 H new ATOM 1875 N LEU A 578 0.212 1.338 -5.797 1.00 0.00 N ATOM 1876 CA LEU A 578 -0.586 0.916 -6.926 1.00 0.00 C ATOM 1877 C LEU A 578 -0.572 2.031 -7.954 1.00 0.00 C ATOM 1878 O LEU A 578 -0.806 3.206 -7.624 1.00 0.00 O ATOM 1879 CB LEU A 578 -2.019 0.614 -6.473 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.139 -0.118 -5.127 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -2.852 0.751 -4.094 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -2.864 -1.449 -5.299 1.00 0.00 C ATOM 0 H LEU A 578 -0.049 2.242 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 578 -0.176 0.006 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -2.568 1.553 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -2.506 0.013 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.131 -0.320 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -2.924 0.210 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -2.289 1.672 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -3.853 0.993 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -2.938 -1.950 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -3.865 -1.270 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -2.308 -2.079 -5.994 1.00 0.00 H new ATOM 1894 N GLY A 579 -0.308 1.655 -9.199 1.00 0.00 N ATOM 1895 CA GLY A 579 -0.238 2.624 -10.263 1.00 0.00 C ATOM 1896 C GLY A 579 -1.552 2.854 -10.947 1.00 0.00 C ATOM 1897 O GLY A 579 -1.644 3.697 -11.840 1.00 0.00 O ATOM 0 H GLY A 579 -0.141 0.691 -9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 579 0.124 3.570 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 579 0.493 2.291 -11.000 1.00 0.00 H new ATOM 1901 N LYS A 580 -2.583 2.129 -10.540 1.00 0.00 N ATOM 1902 CA LYS A 580 -3.867 2.329 -11.161 1.00 0.00 C ATOM 1903 C LYS A 580 -4.449 3.641 -10.683 1.00 0.00 C ATOM 1904 O LYS A 580 -4.870 4.464 -11.493 1.00 0.00 O ATOM 1905 CB LYS A 580 -4.818 1.170 -10.851 1.00 0.00 C ATOM 1906 CG LYS A 580 -4.933 0.844 -9.370 1.00 0.00 C ATOM 1907 CD LYS A 580 -6.212 1.404 -8.773 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.010 1.822 -7.327 1.00 0.00 C ATOM 1909 NZ LYS A 580 -5.768 0.655 -6.436 1.00 0.00 N ATOM 0 H LYS A 580 -2.553 1.421 -9.806 1.00 0.00 H new ATOM 0 HA LYS A 580 -3.737 2.362 -12.243 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -5.808 1.413 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -4.477 0.282 -11.383 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -4.909 -0.237 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -4.073 1.253 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -6.544 2.261 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -7.001 0.654 -8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -5.165 2.508 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -6.889 2.366 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -5.421 0.988 -5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -6.656 0.130 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -5.058 0.030 -6.868 1.00 0.00 H new ATOM 1923 N TRP A 581 -4.431 3.865 -9.370 1.00 0.00 N ATOM 1924 CA TRP A 581 -4.929 5.121 -8.841 1.00 0.00 C ATOM 1925 C TRP A 581 -4.091 5.711 -7.709 1.00 0.00 C ATOM 1926 O TRP A 581 -3.780 6.902 -7.721 1.00 0.00 O ATOM 1927 CB TRP A 581 -6.373 4.964 -8.350 1.00 0.00 C ATOM 1928 CG TRP A 581 -7.354 4.625 -9.431 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -7.342 5.070 -10.720 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -8.504 3.777 -9.310 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -8.402 4.540 -11.412 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -9.131 3.745 -10.569 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -9.061 3.037 -8.263 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -10.286 3.005 -10.809 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -10.208 2.303 -8.501 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -10.809 2.291 -9.766 1.00 0.00 C ATOM 0 H TRP A 581 -4.085 3.207 -8.672 1.00 0.00 H new ATOM 0 HA TRP A 581 -4.869 5.818 -9.677 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -6.404 4.184 -7.589 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -6.685 5.891 -7.869 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -6.606 5.742 -11.136 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -8.613 4.711 -12.395 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -8.603 3.039 -7.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -10.752 2.995 -11.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -10.648 1.730 -7.698 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -11.704 1.706 -9.921 1.00 0.00 H new ATOM 1947 N LYS A 582 -3.821 4.910 -6.674 1.00 0.00 N ATOM 1948 CA LYS A 582 -3.138 5.429 -5.503 1.00 0.00 C ATOM 1949 C LYS A 582 -2.098 4.505 -4.912 1.00 0.00 C ATOM 1950 O LYS A 582 -2.091 3.294 -5.141 1.00 0.00 O ATOM 1951 CB LYS A 582 -4.164 5.791 -4.425 1.00 0.00 C ATOM 1952 CG LYS A 582 -5.397 4.900 -4.425 1.00 0.00 C ATOM 1953 CD LYS A 582 -6.507 5.485 -5.284 1.00 0.00 C ATOM 1954 CE LYS A 582 -7.503 6.270 -4.447 1.00 0.00 C ATOM 1955 NZ LYS A 582 -7.126 7.707 -4.336 1.00 0.00 N ATOM 0 H LYS A 582 -4.062 3.920 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 582 -2.595 6.308 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -3.685 5.733 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -4.475 6.826 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -5.132 3.910 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -5.755 4.772 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -6.076 6.136 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -7.024 4.682 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -8.495 6.188 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -7.564 5.833 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -7.888 8.230 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -6.249 7.794 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -6.977 8.101 -5.287 1.00 0.00 H new ATOM 1969 N MET A 583 -1.288 5.093 -4.057 1.00 0.00 N ATOM 1970 CA MET A 583 -0.306 4.376 -3.290 1.00 0.00 C ATOM 1971 C MET A 583 -0.682 4.558 -1.834 1.00 0.00 C ATOM 1972 O MET A 583 -0.961 5.670 -1.376 1.00 0.00 O ATOM 1973 CB MET A 583 1.109 4.919 -3.534 1.00 0.00 C ATOM 1974 CG MET A 583 2.110 4.563 -2.433 1.00 0.00 C ATOM 1975 SD MET A 583 3.668 5.454 -2.602 1.00 0.00 S ATOM 1976 CE MET A 583 4.690 4.584 -1.415 1.00 0.00 C ATOM 0 H MET A 583 -1.298 6.097 -3.877 1.00 0.00 H new ATOM 0 HA MET A 583 -0.296 3.325 -3.580 1.00 0.00 H new ATOM 0 HB2 MET A 583 1.477 4.532 -4.484 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.060 6.004 -3.629 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.671 4.787 -1.461 1.00 0.00 H new ATOM 0 HG3 MET A 583 2.304 3.491 -2.456 1.00 0.00 H new ATOM 0 HE1 MET A 583 5.109 5.296 -0.705 1.00 0.00 H new ATOM 0 HE2 MET A 583 4.084 3.852 -0.880 1.00 0.00 H new ATOM 0 HE3 MET A 583 5.499 4.073 -1.937 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.651 3.473 -1.114 1.00 0.00 N ATOM 1987 CA LYS A 584 -0.948 3.492 0.294 1.00 0.00 C ATOM 1988 C LYS A 584 0.187 2.799 0.992 1.00 0.00 C ATOM 1989 O LYS A 584 0.623 1.725 0.582 1.00 0.00 O ATOM 1990 CB LYS A 584 -2.279 2.772 0.556 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.785 2.870 1.989 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.217 1.765 2.840 1.00 0.00 C ATOM 1993 CE LYS A 584 -2.892 0.448 2.526 1.00 0.00 C ATOM 1994 NZ LYS A 584 -2.073 -0.711 2.979 1.00 0.00 N ATOM 0 H LYS A 584 -0.420 2.551 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 584 -1.051 4.512 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -3.036 3.184 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -2.164 1.719 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -2.509 3.837 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -3.874 2.818 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -1.144 1.680 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -2.351 2.006 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -3.868 0.415 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -3.065 0.374 1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -1.792 -1.281 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -1.222 -0.365 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.632 -1.297 3.631 1.00 0.00 H new ATOM 2008 N LEU A 585 0.661 3.403 2.043 1.00 0.00 N ATOM 2009 CA LEU A 585 1.749 2.841 2.802 1.00 0.00 C ATOM 2010 C LEU A 585 1.321 2.746 4.243 1.00 0.00 C ATOM 2011 O LEU A 585 0.667 3.644 4.772 1.00 0.00 O ATOM 2012 CB LEU A 585 3.016 3.684 2.634 1.00 0.00 C ATOM 2013 CG LEU A 585 2.780 5.170 2.366 1.00 0.00 C ATOM 2014 CD1 LEU A 585 3.818 6.019 3.086 1.00 0.00 C ATOM 2015 CD2 LEU A 585 2.798 5.457 0.868 1.00 0.00 C ATOM 0 H LEU A 585 0.310 4.292 2.399 1.00 0.00 H new ATOM 0 HA LEU A 585 1.990 1.842 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 585 3.620 3.586 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 585 3.601 3.272 1.812 1.00 0.00 H new ATOM 0 HG LEU A 585 1.796 5.433 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 585 3.631 7.073 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 585 3.753 5.841 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 585 4.814 5.752 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 585 2.628 6.520 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 585 3.766 5.174 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 585 2.012 4.882 0.378 1.00 0.00 H new ATOM 2027 N VAL A 586 1.632 1.635 4.858 1.00 0.00 N ATOM 2028 CA VAL A 586 1.222 1.403 6.217 1.00 0.00 C ATOM 2029 C VAL A 586 2.362 0.929 7.095 1.00 0.00 C ATOM 2030 O VAL A 586 3.213 0.155 6.667 1.00 0.00 O ATOM 2031 CB VAL A 586 0.101 0.347 6.236 1.00 0.00 C ATOM 2032 CG1 VAL A 586 -0.108 -0.231 7.632 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.188 0.942 5.702 1.00 0.00 C ATOM 0 H VAL A 586 2.169 0.876 4.438 1.00 0.00 H new ATOM 0 HA VAL A 586 0.870 2.354 6.618 1.00 0.00 H new ATOM 0 HB VAL A 586 0.406 -0.475 5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -0.907 -0.972 7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 586 0.813 -0.704 7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.380 0.569 8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.973 0.186 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.484 1.787 6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -1.035 1.281 4.677 1.00 0.00 H new ATOM 2043 N SER A 587 2.337 1.356 8.345 1.00 0.00 N ATOM 2044 CA SER A 587 3.339 0.923 9.308 1.00 0.00 C ATOM 2045 C SER A 587 2.664 -0.049 10.265 1.00 0.00 C ATOM 2046 O SER A 587 1.538 0.197 10.699 1.00 0.00 O ATOM 2047 CB SER A 587 3.905 2.119 10.076 1.00 0.00 C ATOM 2048 OG SER A 587 4.497 3.058 9.194 1.00 0.00 O ATOM 0 H SER A 587 1.638 1.999 8.718 1.00 0.00 H new ATOM 0 HA SER A 587 4.172 0.442 8.795 1.00 0.00 H new ATOM 0 HB2 SER A 587 3.109 2.600 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 587 4.647 1.774 10.797 1.00 0.00 H new ATOM 0 HG SER A 587 4.850 3.813 9.709 1.00 0.00 H new ATOM 2054 N ILE A 588 3.315 -1.162 10.578 1.00 0.00 N ATOM 2055 CA ILE A 588 2.707 -2.142 11.458 1.00 0.00 C ATOM 2056 C ILE A 588 3.643 -2.635 12.538 1.00 0.00 C ATOM 2057 O ILE A 588 4.815 -2.924 12.298 1.00 0.00 O ATOM 2058 CB ILE A 588 2.166 -3.343 10.665 1.00 0.00 C ATOM 2059 CG1 ILE A 588 3.274 -3.954 9.809 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.986 -2.922 9.800 1.00 0.00 C ATOM 2061 CD1 ILE A 588 2.823 -5.145 8.992 1.00 0.00 C ATOM 0 H ILE A 588 4.247 -1.403 10.241 1.00 0.00 H new ATOM 0 HA ILE A 588 1.883 -1.624 11.948 1.00 0.00 H new ATOM 0 HB ILE A 588 1.819 -4.099 11.369 1.00 0.00 H new ATOM 0 HG12 ILE A 588 3.665 -3.190 9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 588 4.096 -4.259 10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.615 -3.784 9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 588 0.191 -2.530 10.435 1.00 0.00 H new ATOM 0 HG23 ILE A 588 1.305 -2.150 9.100 1.00 0.00 H new ATOM 0 HD11 ILE A 588 3.662 -5.526 8.410 1.00 0.00 H new ATOM 0 HD12 ILE A 588 2.459 -5.927 9.659 1.00 0.00 H new ATOM 0 HD13 ILE A 588 2.022 -4.841 8.318 1.00 0.00 H new ATOM 2073 N VAL A 589 3.086 -2.746 13.732 1.00 0.00 N ATOM 2074 CA VAL A 589 3.827 -3.228 14.886 1.00 0.00 C ATOM 2075 C VAL A 589 3.026 -4.283 15.634 1.00 0.00 C ATOM 2076 O VAL A 589 1.820 -4.138 15.833 1.00 0.00 O ATOM 2077 CB VAL A 589 4.184 -2.083 15.852 1.00 0.00 C ATOM 2078 CG1 VAL A 589 5.292 -1.219 15.272 1.00 0.00 C ATOM 2079 CG2 VAL A 589 2.953 -1.245 16.165 1.00 0.00 C ATOM 0 H VAL A 589 2.114 -2.507 13.929 1.00 0.00 H new ATOM 0 HA VAL A 589 4.752 -3.667 14.512 1.00 0.00 H new ATOM 0 HB VAL A 589 4.546 -2.519 16.783 1.00 0.00 H new ATOM 0 HG11 VAL A 589 5.530 -0.416 15.969 1.00 0.00 H new ATOM 0 HG12 VAL A 589 6.180 -1.829 15.105 1.00 0.00 H new ATOM 0 HG13 VAL A 589 4.962 -0.792 14.325 1.00 0.00 H new ATOM 0 HG21 VAL A 589 3.225 -0.441 16.849 1.00 0.00 H new ATOM 0 HG22 VAL A 589 2.559 -0.819 15.242 1.00 0.00 H new ATOM 0 HG23 VAL A 589 2.193 -1.874 16.628 1.00 0.00 H new ATOM 2089 N SER A 590 3.702 -5.348 16.042 1.00 0.00 N ATOM 2090 CA SER A 590 3.052 -6.429 16.764 1.00 0.00 C ATOM 2091 C SER A 590 2.731 -6.008 18.191 1.00 0.00 C ATOM 2092 O SER A 590 3.588 -5.483 18.902 1.00 0.00 O ATOM 2093 CB SER A 590 3.943 -7.673 16.775 1.00 0.00 C ATOM 2094 OG SER A 590 3.171 -8.854 16.903 1.00 0.00 O ATOM 0 H SER A 590 4.700 -5.485 15.885 1.00 0.00 H new ATOM 0 HA SER A 590 2.119 -6.666 16.253 1.00 0.00 H new ATOM 0 HB2 SER A 590 4.526 -7.714 15.855 1.00 0.00 H new ATOM 0 HB3 SER A 590 4.653 -7.608 17.600 1.00 0.00 H new ATOM 0 HG SER A 590 3.764 -9.634 16.906 1.00 0.00 H new