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 506 SER OG : rot -172:sc= 1.08 USER MOD Set 1.2: A 522 GLN : amide:sc= 0.925 K(o=2,f=1.3) USER MOD Set 2.1: A 497 LYS NZ :NH3+ -130:sc= 1.4 (180deg=0) USER MOD Set 2.2: A 501 TYR OH : rot 92:sc= 1.67 USER MOD Set 2.3: A 590 SER OG : rot -179:sc= 1.07 USER MOD Single : A 494 THR OG1 : rot -59:sc= 0.216 USER MOD Single : A 498 SER OG : rot -70:sc= -0.235 USER MOD Single : A 503 LYS NZ :NH3+ 152:sc= 0.232 (180deg=0.04) USER MOD Single : A 504 THR OG1 : rot 114:sc= -4.64! USER MOD Single : A 507 LYS NZ :NH3+ -106:sc= -4.14! (180deg=-9.89!) USER MOD Single : A 511 SER OG : rot 102:sc= 1.46 USER MOD Single : A 517 SER OG : rot 180:sc= -2.2! 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 526 ASN :FLIP amide:sc= -0.0571 F(o=-0.74,f=-0.057) USER MOD Single : A 527 ASN :FLIP amide:sc= -1.26 F(o=-5!,f=-1.3) USER MOD Single : A 528 ASN :FLIP amide:sc= -2.52! C(o=-5.1!,f=-2.5!) USER MOD Single : A 531 TYR OH : rot 180:sc= -0.0673 USER MOD Single : A 534 SER OG : rot -110:sc= -1.82! USER MOD Single : A 552 THR OG1 : rot -85:sc= -4.02! USER MOD Single : A 554 THR OG1 : rot -111:sc= -3.79! 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= -1.26 K(o=-1.3,f=-8.2!) USER MOD Single : A 562 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 THR OG1 : rot -127:sc= -0.534 USER MOD Single : A 565 GLN :FLIP amide:sc= -1.04 F(o=-2.4!,f=-1) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 LYS NZ :NH3+ -134:sc= -1.87! (180deg=-3.07!) USER MOD Single : A 582 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 MET CE :methyl -104:sc= -0.648 (180deg=-2.33!) USER MOD Single : A 584 LYS NZ :NH3+ 158:sc= -9.83! (180deg=-12!) USER MOD Single : A 587 SER OG : rot -72:sc= 0.0359 USER MOD ----------------------------------------------------------------- ATOM 523 N ALA A 491 -2.052 8.925 0.750 1.00 0.00 N ATOM 524 CA ALA A 491 -2.680 8.457 1.983 1.00 0.00 C ATOM 525 C ALA A 491 -1.804 7.449 2.722 1.00 0.00 C ATOM 526 O ALA A 491 -1.232 6.543 2.114 1.00 0.00 O ATOM 527 CB ALA A 491 -4.039 7.854 1.671 1.00 0.00 C ATOM 0 HA ALA A 491 -2.807 9.316 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -4.503 7.506 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -4.674 8.609 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -3.916 7.014 0.988 1.00 0.00 H new ATOM 533 N ARG A 492 -1.718 7.604 4.043 1.00 0.00 N ATOM 534 CA ARG A 492 -0.935 6.706 4.877 1.00 0.00 C ATOM 535 C ARG A 492 -1.720 6.296 6.120 1.00 0.00 C ATOM 536 O ARG A 492 -2.322 7.133 6.794 1.00 0.00 O ATOM 537 CB ARG A 492 0.384 7.384 5.277 1.00 0.00 C ATOM 538 CG ARG A 492 1.088 6.750 6.474 1.00 0.00 C ATOM 539 CD ARG A 492 2.309 5.959 6.047 1.00 0.00 C ATOM 540 NE ARG A 492 3.372 6.007 7.048 1.00 0.00 N ATOM 541 CZ ARG A 492 4.116 7.084 7.287 1.00 0.00 C ATOM 542 NH1 ARG A 492 3.917 8.203 6.601 1.00 0.00 N ATOM 543 NH2 ARG A 492 5.062 7.043 8.216 1.00 0.00 N ATOM 0 H ARG A 492 -2.186 8.350 4.557 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.714 5.805 4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 492 1.061 7.365 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.185 8.432 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.385 7.529 7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.394 6.094 7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 492 2.025 4.922 5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 492 2.683 6.353 5.102 1.00 0.00 H new ATOM 0 HE ARG A 492 3.554 5.166 7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 492 3.190 8.241 5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 492 4.491 9.025 6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 492 5.219 6.186 8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 492 5.633 7.868 8.400 1.00 0.00 H new ATOM 557 N VAL A 493 -1.683 5.009 6.427 1.00 0.00 N ATOM 558 CA VAL A 493 -2.359 4.474 7.599 1.00 0.00 C ATOM 559 C VAL A 493 -1.459 3.493 8.360 1.00 0.00 C ATOM 560 O VAL A 493 -0.463 3.004 7.821 1.00 0.00 O ATOM 561 CB VAL A 493 -3.675 3.782 7.211 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.367 3.201 8.434 1.00 0.00 C ATOM 563 CG2 VAL A 493 -4.583 4.767 6.491 1.00 0.00 C ATOM 0 H VAL A 493 -1.187 4.309 5.875 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.586 5.316 8.253 1.00 0.00 H new ATOM 0 HB VAL A 493 -3.449 2.955 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.296 2.717 8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -3.714 2.468 8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.588 4.001 9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -5.514 4.271 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -4.799 5.609 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -4.087 5.128 5.590 1.00 0.00 H new ATOM 573 N THR A 494 -1.811 3.188 9.611 1.00 0.00 N ATOM 574 CA THR A 494 -1.024 2.242 10.397 1.00 0.00 C ATOM 575 C THR A 494 -1.901 1.108 10.942 1.00 0.00 C ATOM 576 O THR A 494 -3.001 1.335 11.444 1.00 0.00 O ATOM 577 CB THR A 494 -0.301 2.977 11.534 1.00 0.00 C ATOM 578 OG1 THR A 494 0.925 3.516 11.074 1.00 0.00 O ATOM 579 CG2 THR A 494 0.009 2.106 12.735 1.00 0.00 C ATOM 0 H THR A 494 -2.622 3.576 10.093 1.00 0.00 H new ATOM 0 HA THR A 494 -0.277 1.789 9.745 1.00 0.00 H new ATOM 0 HB THR A 494 -0.995 3.756 11.850 1.00 0.00 H new ATOM 0 HG1 THR A 494 1.494 2.793 10.736 1.00 0.00 H new ATOM 0 HG21 THR A 494 0.520 2.700 13.493 1.00 0.00 H new ATOM 0 HG22 THR A 494 -0.920 1.712 13.148 1.00 0.00 H new ATOM 0 HG23 THR A 494 0.650 1.279 12.429 1.00 0.00 H new ATOM 587 N LEU A 495 -1.382 -0.115 10.832 1.00 0.00 N ATOM 588 CA LEU A 495 -2.069 -1.320 11.298 1.00 0.00 C ATOM 589 C LEU A 495 -1.102 -2.205 12.089 1.00 0.00 C ATOM 590 O LEU A 495 0.111 -2.039 11.987 1.00 0.00 O ATOM 591 CB LEU A 495 -2.632 -2.104 10.105 1.00 0.00 C ATOM 592 CG LEU A 495 -1.599 -2.941 9.339 1.00 0.00 C ATOM 593 CD1 LEU A 495 -1.452 -4.318 9.963 1.00 0.00 C ATOM 594 CD2 LEU A 495 -1.974 -3.067 7.876 1.00 0.00 C ATOM 0 H LEU A 495 -0.469 -0.299 10.415 1.00 0.00 H new ATOM 0 HA LEU A 495 -2.892 -1.022 11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -3.421 -2.765 10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.095 -1.401 9.412 1.00 0.00 H new ATOM 0 HG LEU A 495 -0.641 -2.425 9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -0.715 -4.894 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -1.124 -4.216 10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -2.412 -4.834 9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.224 -3.665 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -2.947 -3.551 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -2.021 -2.075 7.426 1.00 0.00 H new ATOM 606 N PRO A 496 -1.612 -3.168 12.876 1.00 0.00 N ATOM 607 CA PRO A 496 -0.750 -4.071 13.647 1.00 0.00 C ATOM 608 C PRO A 496 0.120 -4.934 12.725 1.00 0.00 C ATOM 609 O PRO A 496 -0.389 -5.708 11.917 1.00 0.00 O ATOM 610 CB PRO A 496 -1.737 -4.948 14.431 1.00 0.00 C ATOM 611 CG PRO A 496 -3.054 -4.245 14.348 1.00 0.00 C ATOM 612 CD PRO A 496 -3.039 -3.460 13.066 1.00 0.00 C ATOM 0 HA PRO A 496 -0.057 -3.529 14.291 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -1.799 -5.948 14.002 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -1.420 -5.065 15.467 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -3.877 -4.960 14.355 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -3.197 -3.586 15.205 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -3.448 -4.035 12.235 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -3.631 -2.548 13.144 1.00 0.00 H new ATOM 620 N LYS A 497 1.436 -4.784 12.851 1.00 0.00 N ATOM 621 CA LYS A 497 2.399 -5.522 12.030 1.00 0.00 C ATOM 622 C LYS A 497 2.138 -7.027 12.001 1.00 0.00 C ATOM 623 O LYS A 497 2.489 -7.705 11.035 1.00 0.00 O ATOM 624 CB LYS A 497 3.814 -5.269 12.553 1.00 0.00 C ATOM 625 CG LYS A 497 4.906 -5.804 11.639 1.00 0.00 C ATOM 626 CD LYS A 497 6.283 -5.324 12.073 1.00 0.00 C ATOM 627 CE LYS A 497 7.270 -6.477 12.173 1.00 0.00 C ATOM 628 NZ LYS A 497 7.090 -7.255 13.429 1.00 0.00 N ATOM 0 H LYS A 497 1.867 -4.149 13.523 1.00 0.00 H new ATOM 0 HA LYS A 497 2.287 -5.157 11.009 1.00 0.00 H new ATOM 0 HB2 LYS A 497 3.957 -4.197 12.686 1.00 0.00 H new ATOM 0 HB3 LYS A 497 3.917 -5.729 13.536 1.00 0.00 H new ATOM 0 HG2 LYS A 497 4.882 -6.894 11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 497 4.714 -5.483 10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 497 6.654 -4.587 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 497 6.207 -4.824 13.038 1.00 0.00 H new ATOM 0 HE2 LYS A 497 7.144 -7.138 11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 497 8.288 -6.089 12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 8.009 -7.369 13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 6.437 -6.749 14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 6.698 -8.192 13.204 1.00 0.00 H new ATOM 642 N SER A 498 1.577 -7.551 13.074 1.00 0.00 N ATOM 643 CA SER A 498 1.330 -8.988 13.188 1.00 0.00 C ATOM 644 C SER A 498 0.478 -9.562 12.046 1.00 0.00 C ATOM 645 O SER A 498 0.823 -10.596 11.474 1.00 0.00 O ATOM 646 CB SER A 498 0.664 -9.282 14.533 1.00 0.00 C ATOM 647 OG SER A 498 -0.739 -9.445 14.393 1.00 0.00 O ATOM 0 H SER A 498 1.281 -7.007 13.884 1.00 0.00 H new ATOM 0 HA SER A 498 2.300 -9.480 13.119 1.00 0.00 H new ATOM 0 HB2 SER A 498 1.095 -10.185 14.964 1.00 0.00 H new ATOM 0 HB3 SER A 498 0.869 -8.468 15.228 1.00 0.00 H new ATOM 0 HG SER A 498 -1.149 -8.580 14.182 1.00 0.00 H new ATOM 653 N LEU A 499 -0.640 -8.914 11.736 1.00 0.00 N ATOM 654 CA LEU A 499 -1.539 -9.395 10.685 1.00 0.00 C ATOM 655 C LEU A 499 -0.993 -9.169 9.273 1.00 0.00 C ATOM 656 O LEU A 499 -1.576 -9.647 8.301 1.00 0.00 O ATOM 657 CB LEU A 499 -2.903 -8.723 10.820 1.00 0.00 C ATOM 658 CG LEU A 499 -2.875 -7.198 10.717 1.00 0.00 C ATOM 659 CD1 LEU A 499 -3.804 -6.719 9.611 1.00 0.00 C ATOM 660 CD2 LEU A 499 -3.255 -6.566 12.046 1.00 0.00 C ATOM 0 H LEU A 499 -0.948 -8.056 12.194 1.00 0.00 H new ATOM 0 HA LEU A 499 -1.630 -10.473 10.822 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -3.564 -9.114 10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -3.337 -9.001 11.781 1.00 0.00 H new ATOM 0 HG LEU A 499 -1.860 -6.890 10.469 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -3.770 -5.631 9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -3.485 -7.143 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -4.823 -7.039 9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -3.229 -5.480 11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -4.260 -6.883 12.325 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -2.549 -6.881 12.814 1.00 0.00 H new ATOM 672 N VAL A 500 0.105 -8.434 9.153 1.00 0.00 N ATOM 673 CA VAL A 500 0.688 -8.146 7.846 1.00 0.00 C ATOM 674 C VAL A 500 1.408 -9.363 7.271 1.00 0.00 C ATOM 675 O VAL A 500 1.580 -9.490 6.059 1.00 0.00 O ATOM 676 CB VAL A 500 1.663 -6.950 7.925 1.00 0.00 C ATOM 677 CG1 VAL A 500 3.047 -7.390 8.384 1.00 0.00 C ATOM 678 CG2 VAL A 500 1.739 -6.237 6.586 1.00 0.00 C ATOM 0 H VAL A 500 0.609 -8.027 9.941 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.135 -7.888 7.179 1.00 0.00 H new ATOM 0 HB VAL A 500 1.277 -6.252 8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 500 3.708 -6.524 8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 500 2.975 -7.843 9.373 1.00 0.00 H new ATOM 0 HG13 VAL A 500 3.450 -8.118 7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.430 -5.397 6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 500 2.092 -6.931 5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 500 0.750 -5.870 6.313 1.00 0.00 H new ATOM 688 N TYR A 501 1.848 -10.228 8.165 1.00 0.00 N ATOM 689 CA TYR A 501 2.584 -11.430 7.805 1.00 0.00 C ATOM 690 C TYR A 501 1.872 -12.320 6.778 1.00 0.00 C ATOM 691 O TYR A 501 2.529 -13.065 6.057 1.00 0.00 O ATOM 692 CB TYR A 501 2.881 -12.248 9.065 1.00 0.00 C ATOM 693 CG TYR A 501 3.510 -11.450 10.187 1.00 0.00 C ATOM 694 CD1 TYR A 501 4.181 -10.258 9.935 1.00 0.00 C ATOM 695 CD2 TYR A 501 3.432 -11.890 11.503 1.00 0.00 C ATOM 696 CE1 TYR A 501 4.755 -9.530 10.961 1.00 0.00 C ATOM 697 CE2 TYR A 501 4.004 -11.170 12.533 1.00 0.00 C ATOM 698 CZ TYR A 501 4.664 -9.990 12.257 1.00 0.00 C ATOM 699 OH TYR A 501 5.235 -9.269 13.281 1.00 0.00 O ATOM 0 H TYR A 501 1.705 -10.118 9.169 1.00 0.00 H new ATOM 0 HA TYR A 501 3.504 -11.089 7.330 1.00 0.00 H new ATOM 0 HB2 TYR A 501 1.952 -12.691 9.425 1.00 0.00 H new ATOM 0 HB3 TYR A 501 3.546 -13.071 8.802 1.00 0.00 H new ATOM 0 HD1 TYR A 501 4.255 -9.895 8.921 1.00 0.00 H new ATOM 0 HD2 TYR A 501 2.915 -12.812 11.724 1.00 0.00 H new ATOM 0 HE1 TYR A 501 5.272 -8.606 10.748 1.00 0.00 H new ATOM 0 HE2 TYR A 501 3.935 -11.529 13.549 1.00 0.00 H new ATOM 0 HH TYR A 501 4.571 -8.655 13.659 1.00 0.00 H new ATOM 709 N ASP A 502 0.541 -12.330 6.771 1.00 0.00 N ATOM 710 CA ASP A 502 -0.191 -13.231 5.868 1.00 0.00 C ATOM 711 C ASP A 502 -0.268 -12.793 4.387 1.00 0.00 C ATOM 712 O ASP A 502 0.038 -13.592 3.503 1.00 0.00 O ATOM 713 CB ASP A 502 -1.609 -13.440 6.408 1.00 0.00 C ATOM 714 CG ASP A 502 -2.479 -12.206 6.259 1.00 0.00 C ATOM 715 OD1 ASP A 502 -1.932 -11.085 6.314 1.00 0.00 O ATOM 716 OD2 ASP A 502 -3.706 -12.362 6.089 1.00 0.00 O ATOM 0 H ASP A 502 -0.046 -11.742 7.363 1.00 0.00 H new ATOM 0 HA ASP A 502 0.389 -14.154 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -2.075 -14.274 5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -1.555 -13.717 7.461 1.00 0.00 H new ATOM 721 N LYS A 503 -0.684 -11.553 4.100 1.00 0.00 N ATOM 722 CA LYS A 503 -0.794 -11.094 2.721 1.00 0.00 C ATOM 723 C LYS A 503 0.069 -9.870 2.447 1.00 0.00 C ATOM 724 O LYS A 503 0.112 -8.931 3.238 1.00 0.00 O ATOM 725 CB LYS A 503 -2.253 -10.811 2.363 1.00 0.00 C ATOM 726 CG LYS A 503 -2.838 -11.804 1.371 1.00 0.00 C ATOM 727 CD LYS A 503 -4.251 -12.213 1.758 1.00 0.00 C ATOM 728 CE LYS A 503 -4.263 -13.534 2.510 1.00 0.00 C ATOM 729 NZ LYS A 503 -5.272 -13.541 3.605 1.00 0.00 N ATOM 0 H LYS A 503 -0.946 -10.860 4.801 1.00 0.00 H new ATOM 0 HA LYS A 503 -0.422 -11.898 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -2.851 -10.824 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -2.328 -9.806 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -2.846 -11.362 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -2.203 -12.688 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -4.699 -11.436 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -4.865 -12.298 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -4.477 -14.346 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -3.274 -13.723 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -5.595 -14.515 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -4.844 -13.163 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -6.083 -12.950 3.333 1.00 0.00 H new ATOM 743 N THR A 504 0.749 -9.887 1.325 1.00 0.00 N ATOM 744 CA THR A 504 1.597 -8.763 0.939 1.00 0.00 C ATOM 745 C THR A 504 0.791 -7.533 0.477 1.00 0.00 C ATOM 746 O THR A 504 0.677 -6.544 1.195 1.00 0.00 O ATOM 747 CB THR A 504 2.528 -9.196 -0.193 1.00 0.00 C ATOM 748 OG1 THR A 504 3.313 -10.308 0.193 1.00 0.00 O ATOM 749 CG2 THR A 504 3.471 -8.104 -0.651 1.00 0.00 C ATOM 0 H THR A 504 0.738 -10.660 0.659 1.00 0.00 H new ATOM 0 HA THR A 504 2.161 -8.472 1.825 1.00 0.00 H new ATOM 0 HB THR A 504 1.866 -9.451 -1.021 1.00 0.00 H new ATOM 0 HG1 THR A 504 3.066 -11.087 -0.348 1.00 0.00 H new ATOM 0 HG21 THR A 504 4.102 -8.482 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.894 -7.252 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.097 -7.790 0.184 1.00 0.00 H new ATOM 757 N PHE A 505 0.259 -7.613 -0.745 1.00 0.00 N ATOM 758 CA PHE A 505 -0.521 -6.522 -1.356 1.00 0.00 C ATOM 759 C PHE A 505 -1.929 -6.376 -0.788 1.00 0.00 C ATOM 760 O PHE A 505 -2.302 -5.322 -0.278 1.00 0.00 O ATOM 761 CB PHE A 505 -0.595 -6.681 -2.889 1.00 0.00 C ATOM 762 CG PHE A 505 0.221 -7.818 -3.408 1.00 0.00 C ATOM 763 CD1 PHE A 505 -0.331 -9.078 -3.505 1.00 0.00 C ATOM 764 CD2 PHE A 505 1.542 -7.632 -3.777 1.00 0.00 C ATOM 765 CE1 PHE A 505 0.417 -10.138 -3.958 1.00 0.00 C ATOM 766 CE2 PHE A 505 2.297 -8.689 -4.238 1.00 0.00 C ATOM 767 CZ PHE A 505 1.735 -9.945 -4.328 1.00 0.00 C ATOM 0 H PHE A 505 0.354 -8.434 -1.343 1.00 0.00 H new ATOM 0 HA PHE A 505 0.019 -5.609 -1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -1.635 -6.827 -3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 505 -0.258 -5.757 -3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 505 -1.362 -9.233 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 505 1.985 -6.650 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 505 -0.025 -11.121 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 505 3.326 -8.534 -4.528 1.00 0.00 H new ATOM 0 HZ PHE A 505 2.323 -10.776 -4.687 1.00 0.00 H new ATOM 777 N SER A 506 -2.727 -7.420 -0.969 1.00 0.00 N ATOM 778 CA SER A 506 -4.131 -7.423 -0.575 1.00 0.00 C ATOM 779 C SER A 506 -4.406 -6.954 0.851 1.00 0.00 C ATOM 780 O SER A 506 -4.952 -5.874 1.064 1.00 0.00 O ATOM 781 CB SER A 506 -4.689 -8.837 -0.736 1.00 0.00 C ATOM 782 OG SER A 506 -4.622 -9.263 -2.086 1.00 0.00 O ATOM 0 H SER A 506 -2.418 -8.293 -1.395 1.00 0.00 H new ATOM 0 HA SER A 506 -4.620 -6.702 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 506 -4.127 -9.527 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 506 -5.724 -8.864 -0.394 1.00 0.00 H new ATOM 0 HG SER A 506 -5.099 -10.113 -2.185 1.00 0.00 H new ATOM 788 N LYS A 507 -4.073 -7.785 1.820 1.00 0.00 N ATOM 789 CA LYS A 507 -4.363 -7.469 3.214 1.00 0.00 C ATOM 790 C LYS A 507 -3.919 -6.070 3.598 1.00 0.00 C ATOM 791 O LYS A 507 -4.690 -5.314 4.197 1.00 0.00 O ATOM 792 CB LYS A 507 -3.747 -8.502 4.144 1.00 0.00 C ATOM 793 CG LYS A 507 -2.230 -8.523 4.130 1.00 0.00 C ATOM 794 CD LYS A 507 -1.599 -7.529 5.098 1.00 0.00 C ATOM 795 CE LYS A 507 -2.419 -7.343 6.368 1.00 0.00 C ATOM 796 NZ LYS A 507 -1.802 -6.360 7.300 1.00 0.00 N ATOM 0 H LYS A 507 -3.604 -8.679 1.674 1.00 0.00 H new ATOM 0 HA LYS A 507 -5.447 -7.500 3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -4.087 -8.308 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -4.116 -9.490 3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -1.886 -9.527 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -1.881 -8.306 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -0.599 -7.872 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -1.485 -6.566 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -3.423 -7.010 6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -2.525 -8.303 6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -1.378 -6.864 8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -1.064 -5.823 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -2.532 -5.705 7.647 1.00 0.00 H new ATOM 810 N VAL A 508 -2.692 -5.722 3.267 1.00 0.00 N ATOM 811 CA VAL A 508 -2.174 -4.409 3.603 1.00 0.00 C ATOM 812 C VAL A 508 -3.058 -3.298 3.056 1.00 0.00 C ATOM 813 O VAL A 508 -3.585 -2.491 3.812 1.00 0.00 O ATOM 814 CB VAL A 508 -0.751 -4.201 3.057 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.208 -2.848 3.486 1.00 0.00 C ATOM 816 CG2 VAL A 508 0.176 -5.318 3.511 1.00 0.00 C ATOM 0 H VAL A 508 -2.037 -6.325 2.769 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.159 -4.364 4.692 1.00 0.00 H new ATOM 0 HB VAL A 508 -0.800 -4.225 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.799 -2.718 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -0.853 -2.058 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.180 -2.796 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 508 1.175 -5.147 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 508 0.219 -5.335 4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.201 -6.274 3.148 1.00 0.00 H new ATOM 826 N LEU A 509 -3.174 -3.245 1.745 1.00 0.00 N ATOM 827 CA LEU A 509 -3.937 -2.208 1.059 1.00 0.00 C ATOM 828 C LEU A 509 -5.361 -1.972 1.584 1.00 0.00 C ATOM 829 O LEU A 509 -5.680 -0.862 2.008 1.00 0.00 O ATOM 830 CB LEU A 509 -3.962 -2.483 -0.455 1.00 0.00 C ATOM 831 CG LEU A 509 -4.956 -3.533 -0.937 1.00 0.00 C ATOM 832 CD1 LEU A 509 -6.310 -2.899 -1.200 1.00 0.00 C ATOM 833 CD2 LEU A 509 -4.436 -4.224 -2.186 1.00 0.00 C ATOM 0 H LEU A 509 -2.741 -3.922 1.117 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.407 -1.280 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.179 -1.546 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -2.963 -2.792 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 509 -5.074 -4.283 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -7.008 -3.662 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.686 -2.450 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -6.209 -2.129 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -5.158 -4.971 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -4.289 -3.487 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -3.487 -4.711 -1.964 1.00 0.00 H new ATOM 845 N TRP A 510 -6.235 -2.969 1.492 1.00 0.00 N ATOM 846 CA TRP A 510 -7.633 -2.785 1.894 1.00 0.00 C ATOM 847 C TRP A 510 -7.859 -2.698 3.396 1.00 0.00 C ATOM 848 O TRP A 510 -8.569 -1.822 3.888 1.00 0.00 O ATOM 849 CB TRP A 510 -8.502 -3.906 1.319 1.00 0.00 C ATOM 850 CG TRP A 510 -8.071 -5.277 1.732 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.264 -6.123 1.032 1.00 0.00 C ATOM 852 CD2 TRP A 510 -8.434 -5.968 2.934 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.090 -7.294 1.730 1.00 0.00 N ATOM 854 CE2 TRP A 510 -7.800 -7.223 2.900 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.231 -5.645 4.037 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -7.937 -8.155 3.926 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -9.366 -6.572 5.054 1.00 0.00 C ATOM 858 CH2 TRP A 510 -8.722 -7.813 4.993 1.00 0.00 C ATOM 0 H TRP A 510 -6.009 -3.902 1.148 1.00 0.00 H new ATOM 0 HA TRP A 510 -7.920 -1.816 1.486 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.534 -3.750 1.633 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.487 -3.843 0.231 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -6.825 -5.905 0.069 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -6.525 -8.087 1.427 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -9.731 -4.690 4.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -7.441 -9.113 3.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -9.979 -6.334 5.911 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -8.847 -8.515 5.804 1.00 0.00 H new ATOM 869 N SER A 511 -7.301 -3.644 4.099 1.00 0.00 N ATOM 870 CA SER A 511 -7.471 -3.751 5.532 1.00 0.00 C ATOM 871 C SER A 511 -6.915 -2.566 6.287 1.00 0.00 C ATOM 872 O SER A 511 -7.519 -2.080 7.243 1.00 0.00 O ATOM 873 CB SER A 511 -6.814 -5.036 6.040 1.00 0.00 C ATOM 874 OG SER A 511 -7.565 -5.608 7.097 1.00 0.00 O ATOM 0 H SER A 511 -6.710 -4.371 3.696 1.00 0.00 H new ATOM 0 HA SER A 511 -8.545 -3.772 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 511 -6.727 -5.752 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 511 -5.802 -4.820 6.384 1.00 0.00 H new ATOM 0 HG SER A 511 -8.090 -6.362 6.755 1.00 0.00 H new ATOM 880 N ALA A 512 -5.710 -2.191 5.930 1.00 0.00 N ATOM 881 CA ALA A 512 -4.997 -1.164 6.647 1.00 0.00 C ATOM 882 C ALA A 512 -5.476 0.264 6.516 1.00 0.00 C ATOM 883 O ALA A 512 -5.941 0.849 7.497 1.00 0.00 O ATOM 884 CB ALA A 512 -3.531 -1.214 6.266 1.00 0.00 C ATOM 0 H ALA A 512 -5.200 -2.586 5.140 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.192 -1.412 7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -2.988 -0.439 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.121 -2.191 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.428 -1.049 5.194 1.00 0.00 H new ATOM 890 N GLY A 513 -5.231 0.877 5.375 1.00 0.00 N ATOM 891 CA GLY A 513 -5.521 2.293 5.285 1.00 0.00 C ATOM 892 C GLY A 513 -6.588 2.814 4.365 1.00 0.00 C ATOM 893 O GLY A 513 -7.155 3.871 4.646 1.00 0.00 O ATOM 0 H GLY A 513 -4.850 0.443 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.776 2.630 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -4.592 2.791 5.008 1.00 0.00 H new ATOM 897 N LEU A 514 -6.757 2.220 3.203 1.00 0.00 N ATOM 898 CA LEU A 514 -7.641 2.852 2.233 1.00 0.00 C ATOM 899 C LEU A 514 -8.987 2.232 1.916 1.00 0.00 C ATOM 900 O LEU A 514 -9.933 2.989 1.686 1.00 0.00 O ATOM 901 CB LEU A 514 -6.872 3.081 0.933 1.00 0.00 C ATOM 902 CG LEU A 514 -6.386 4.519 0.739 1.00 0.00 C ATOM 903 CD1 LEU A 514 -5.196 4.568 -0.204 1.00 0.00 C ATOM 904 CD2 LEU A 514 -7.516 5.396 0.222 1.00 0.00 C ATOM 0 H LEU A 514 -6.322 1.345 2.911 1.00 0.00 H new ATOM 0 HA LEU A 514 -7.933 3.765 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -6.012 2.412 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -7.511 2.808 0.093 1.00 0.00 H new ATOM 0 HG LEU A 514 -6.064 4.903 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -4.870 5.601 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -4.380 3.976 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -5.483 4.162 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -7.154 6.415 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -7.869 5.009 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -8.336 5.393 0.940 1.00 0.00 H new ATOM 916 N VAL A 515 -9.109 0.923 1.741 1.00 0.00 N ATOM 917 CA VAL A 515 -10.403 0.468 1.265 1.00 0.00 C ATOM 918 C VAL A 515 -10.827 -0.972 1.609 1.00 0.00 C ATOM 919 O VAL A 515 -10.059 -1.790 2.092 1.00 0.00 O ATOM 920 CB VAL A 515 -10.393 0.711 -0.266 1.00 0.00 C ATOM 921 CG1 VAL A 515 -9.163 0.072 -0.892 1.00 0.00 C ATOM 922 CG2 VAL A 515 -11.668 0.256 -0.964 1.00 0.00 C ATOM 0 H VAL A 515 -8.396 0.213 1.905 1.00 0.00 H new ATOM 0 HA VAL A 515 -11.164 1.037 1.799 1.00 0.00 H new ATOM 0 HB VAL A 515 -10.350 1.790 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -9.168 0.250 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -8.264 0.509 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -9.174 -1.001 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -11.590 0.457 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.808 -0.813 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -12.520 0.798 -0.554 1.00 0.00 H new ATOM 932 N ALA A 516 -12.092 -1.229 1.271 1.00 0.00 N ATOM 933 CA ALA A 516 -12.795 -2.497 1.403 1.00 0.00 C ATOM 934 C ALA A 516 -12.220 -3.522 0.433 1.00 0.00 C ATOM 935 O ALA A 516 -12.792 -4.589 0.215 1.00 0.00 O ATOM 936 CB ALA A 516 -14.288 -2.314 1.177 1.00 0.00 C ATOM 0 H ALA A 516 -12.689 -0.505 0.871 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.654 -2.867 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -14.792 -3.275 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.684 -1.615 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -14.459 -1.921 0.175 1.00 0.00 H new ATOM 942 N SER A 517 -11.172 -3.100 -0.258 1.00 0.00 N ATOM 943 CA SER A 517 -10.564 -3.814 -1.342 1.00 0.00 C ATOM 944 C SER A 517 -10.075 -5.220 -1.012 1.00 0.00 C ATOM 945 O SER A 517 -9.469 -5.850 -1.875 1.00 0.00 O ATOM 946 CB SER A 517 -9.388 -2.979 -1.854 1.00 0.00 C ATOM 947 OG SER A 517 -9.736 -2.251 -3.018 1.00 0.00 O ATOM 0 H SER A 517 -10.711 -2.212 -0.061 1.00 0.00 H new ATOM 0 HA SER A 517 -11.344 -3.957 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 517 -9.064 -2.289 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 517 -8.544 -3.633 -2.072 1.00 0.00 H new ATOM 0 HG SER A 517 -8.965 -1.727 -3.319 1.00 0.00 H new ATOM 953 N LYS A 518 -10.373 -5.783 0.155 1.00 0.00 N ATOM 954 CA LYS A 518 -9.968 -7.168 0.350 1.00 0.00 C ATOM 955 C LYS A 518 -10.395 -7.874 -0.933 1.00 0.00 C ATOM 956 O LYS A 518 -9.583 -8.477 -1.635 1.00 0.00 O ATOM 957 CB LYS A 518 -10.670 -7.790 1.563 1.00 0.00 C ATOM 958 CG LYS A 518 -10.290 -9.242 1.808 1.00 0.00 C ATOM 959 CD LYS A 518 -11.513 -10.146 1.820 1.00 0.00 C ATOM 960 CE LYS A 518 -11.863 -10.629 0.421 1.00 0.00 C ATOM 961 NZ LYS A 518 -13.207 -11.268 0.373 1.00 0.00 N ATOM 0 H LYS A 518 -10.861 -5.337 0.932 1.00 0.00 H new ATOM 0 HA LYS A 518 -8.899 -7.255 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -10.429 -7.205 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -11.749 -7.724 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -9.599 -9.574 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -9.765 -9.326 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -11.326 -11.004 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -12.361 -9.607 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -11.837 -9.787 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -11.110 -11.342 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -13.407 -11.583 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -13.225 -12.087 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -13.929 -10.581 0.670 1.00 0.00 H new ATOM 975 N SER A 519 -11.663 -7.672 -1.283 1.00 0.00 N ATOM 976 CA SER A 519 -12.212 -8.152 -2.543 1.00 0.00 C ATOM 977 C SER A 519 -11.717 -7.270 -3.707 1.00 0.00 C ATOM 978 O SER A 519 -11.116 -7.749 -4.680 1.00 0.00 O ATOM 979 CB SER A 519 -13.741 -8.149 -2.495 1.00 0.00 C ATOM 980 OG SER A 519 -14.291 -8.674 -3.691 1.00 0.00 O ATOM 0 H SER A 519 -12.335 -7.172 -0.701 1.00 0.00 H new ATOM 0 HA SER A 519 -11.871 -9.175 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 519 -14.082 -8.739 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.101 -7.132 -2.342 1.00 0.00 H new ATOM 0 HG SER A 519 -15.269 -8.663 -3.634 1.00 0.00 H new ATOM 986 N GLU A 520 -12.000 -5.957 -3.589 1.00 0.00 N ATOM 987 CA GLU A 520 -11.629 -4.973 -4.605 1.00 0.00 C ATOM 988 C GLU A 520 -10.129 -4.966 -4.869 1.00 0.00 C ATOM 989 O GLU A 520 -9.682 -4.988 -6.016 1.00 0.00 O ATOM 990 CB GLU A 520 -12.114 -3.577 -4.205 1.00 0.00 C ATOM 991 CG GLU A 520 -13.235 -3.043 -5.080 1.00 0.00 C ATOM 992 CD GLU A 520 -14.381 -4.025 -5.229 1.00 0.00 C ATOM 993 OE1 GLU A 520 -14.553 -4.876 -4.330 1.00 0.00 O ATOM 994 OE2 GLU A 520 -15.105 -3.944 -6.242 1.00 0.00 O ATOM 0 H GLU A 520 -12.490 -5.559 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 520 -12.121 -5.262 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -12.455 -3.604 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -11.273 -2.885 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -13.612 -2.114 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -12.837 -2.803 -6.066 1.00 0.00 H new ATOM 1001 N GLY A 521 -9.366 -4.929 -3.793 1.00 0.00 N ATOM 1002 CA GLY A 521 -7.922 -4.912 -3.867 1.00 0.00 C ATOM 1003 C GLY A 521 -7.407 -5.984 -4.770 1.00 0.00 C ATOM 1004 O GLY A 521 -6.718 -5.690 -5.735 1.00 0.00 O ATOM 0 H GLY A 521 -9.734 -4.910 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -7.587 -3.939 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.504 -5.044 -2.869 1.00 0.00 H new ATOM 1008 N GLN A 522 -7.762 -7.229 -4.482 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.337 -8.343 -5.310 1.00 0.00 C ATOM 1010 C GLN A 522 -7.590 -8.010 -6.777 1.00 0.00 C ATOM 1011 O GLN A 522 -6.712 -8.178 -7.622 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.084 -9.620 -4.919 1.00 0.00 C ATOM 1013 CG GLN A 522 -7.670 -10.177 -3.567 1.00 0.00 C ATOM 1014 CD GLN A 522 -6.807 -11.417 -3.686 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -5.617 -11.392 -3.372 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -7.404 -12.513 -4.142 1.00 0.00 N ATOM 0 H GLN A 522 -8.341 -7.490 -3.684 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.271 -8.513 -5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -9.155 -9.415 -4.906 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -7.914 -10.379 -5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -7.125 -9.412 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -8.562 -10.414 -2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -8.393 -12.489 -4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -6.873 -13.378 -4.243 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.789 -7.511 -7.067 1.00 0.00 N ATOM 1026 CA ARG A 523 -9.149 -7.121 -8.428 1.00 0.00 C ATOM 1027 C ARG A 523 -8.076 -6.216 -9.035 1.00 0.00 C ATOM 1028 O ARG A 523 -7.625 -6.445 -10.152 1.00 0.00 O ATOM 1029 CB ARG A 523 -10.500 -6.405 -8.436 1.00 0.00 C ATOM 1030 CG ARG A 523 -11.319 -6.672 -9.686 1.00 0.00 C ATOM 1031 CD ARG A 523 -12.073 -5.431 -10.137 1.00 0.00 C ATOM 1032 NE ARG A 523 -12.012 -5.250 -11.586 1.00 0.00 N ATOM 1033 CZ ARG A 523 -12.768 -5.925 -12.448 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -13.643 -6.824 -12.015 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -12.649 -5.699 -13.751 1.00 0.00 N ATOM 0 H ARG A 523 -9.528 -7.367 -6.378 1.00 0.00 H new ATOM 0 HA ARG A 523 -9.223 -8.025 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -11.073 -6.717 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -10.334 -5.332 -8.342 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -10.662 -7.010 -10.487 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -12.027 -7.478 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -13.115 -5.506 -9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -11.655 -4.553 -9.644 1.00 0.00 H new ATOM 0 HE ARG A 523 -11.352 -4.567 -11.958 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -13.739 -7.001 -11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -14.219 -7.337 -12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -11.979 -5.009 -14.090 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -13.228 -6.216 -14.413 1.00 0.00 H new ATOM 1049 N ILE A 524 -7.672 -5.195 -8.289 1.00 0.00 N ATOM 1050 CA ILE A 524 -6.645 -4.265 -8.748 1.00 0.00 C ATOM 1051 C ILE A 524 -5.354 -5.014 -9.033 1.00 0.00 C ATOM 1052 O ILE A 524 -4.809 -4.953 -10.134 1.00 0.00 O ATOM 1053 CB ILE A 524 -6.381 -3.168 -7.700 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -7.688 -2.458 -7.341 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -5.350 -2.173 -8.213 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -8.478 -1.986 -8.544 1.00 0.00 C ATOM 0 H ILE A 524 -8.041 -4.989 -7.361 1.00 0.00 H new ATOM 0 HA ILE A 524 -7.004 -3.792 -9.662 1.00 0.00 H new ATOM 0 HB ILE A 524 -5.981 -3.634 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -8.308 -3.135 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -7.462 -1.601 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -5.177 -1.406 -7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -4.415 -2.693 -8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -5.718 -1.706 -9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -9.391 -1.493 -8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -7.877 -1.284 -9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -8.736 -2.841 -9.168 1.00 0.00 H new ATOM 1068 N ILE A 525 -4.900 -5.755 -8.037 1.00 0.00 N ATOM 1069 CA ILE A 525 -3.708 -6.567 -8.158 1.00 0.00 C ATOM 1070 C ILE A 525 -3.842 -7.398 -9.429 1.00 0.00 C ATOM 1071 O ILE A 525 -2.944 -7.444 -10.269 1.00 0.00 O ATOM 1072 CB ILE A 525 -3.509 -7.497 -6.934 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -4.076 -6.879 -5.652 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -2.038 -7.795 -6.742 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -3.720 -5.419 -5.463 1.00 0.00 C ATOM 0 H ILE A 525 -5.349 -5.809 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 525 -2.835 -5.916 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 525 -4.052 -8.421 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -5.161 -6.980 -5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -3.711 -7.445 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -1.909 -8.449 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.647 -8.287 -7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.497 -6.864 -6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -4.158 -5.055 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -2.636 -5.311 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -4.109 -4.838 -6.299 1.00 0.00 H new ATOM 1087 N ASN A 526 -5.019 -8.008 -9.572 1.00 0.00 N ATOM 1088 CA ASN A 526 -5.361 -8.799 -10.751 1.00 0.00 C ATOM 1089 C ASN A 526 -5.237 -7.911 -11.973 1.00 0.00 C ATOM 1090 O ASN A 526 -4.588 -8.253 -12.962 1.00 0.00 O ATOM 1091 CB ASN A 526 -6.784 -9.329 -10.637 1.00 0.00 C ATOM 1092 CG ASN A 526 -7.106 -10.358 -11.701 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -7.306 -9.893 -12.927 1.00 0.00 O flip ATOM 1094 ND2 ASN A 526 -7.175 -11.556 -11.424 1.00 0.00 N flip ATOM 0 H ASN A 526 -5.761 -7.967 -8.873 1.00 0.00 H new ATOM 0 HA ASN A 526 -4.685 -9.650 -10.834 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -6.925 -9.773 -9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -7.485 -8.498 -10.715 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -7.013 -11.868 -10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -7.394 -12.236 -12.152 1.00 0.00 H new ATOM 1101 N ASN A 527 -5.831 -6.733 -11.845 1.00 0.00 N ATOM 1102 CA ASN A 527 -5.777 -5.702 -12.871 1.00 0.00 C ATOM 1103 C ASN A 527 -4.327 -5.555 -13.312 1.00 0.00 C ATOM 1104 O ASN A 527 -4.031 -5.354 -14.490 1.00 0.00 O ATOM 1105 CB ASN A 527 -6.370 -4.383 -12.358 1.00 0.00 C ATOM 1106 CG ASN A 527 -5.413 -3.209 -12.444 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -4.995 -2.718 -11.289 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -5.058 -2.756 -13.531 1.00 0.00 N flip ATOM 0 H ASN A 527 -6.368 -6.464 -11.020 1.00 0.00 H new ATOM 0 HA ASN A 527 -6.384 -5.986 -13.731 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -7.268 -4.151 -12.931 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -6.679 -4.513 -11.321 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -5.409 -3.170 -14.395 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -4.413 -1.967 -13.568 1.00 0.00 H new ATOM 1115 N ASN A 528 -3.433 -5.640 -12.331 1.00 0.00 N ATOM 1116 CA ASN A 528 -2.004 -5.505 -12.559 1.00 0.00 C ATOM 1117 C ASN A 528 -1.599 -4.066 -12.797 1.00 0.00 C ATOM 1118 O ASN A 528 -0.737 -3.765 -13.623 1.00 0.00 O ATOM 1119 CB ASN A 528 -1.569 -6.374 -13.747 1.00 0.00 C ATOM 1120 CG ASN A 528 -0.068 -6.572 -13.812 1.00 0.00 C ATOM 1121 OD1 ASN A 528 0.396 -7.733 -13.361 1.00 0.00 O flip ATOM 1122 ND2 ASN A 528 0.668 -5.695 -14.264 1.00 0.00 N flip ATOM 0 H ASN A 528 -3.683 -5.805 -11.356 1.00 0.00 H new ATOM 0 HA ASN A 528 -1.499 -5.845 -11.655 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -2.056 -7.346 -13.677 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -1.910 -5.912 -14.673 1.00 0.00 H new ATOM 0 HD21 ASN A 528 0.270 -4.818 -14.600 1.00 0.00 H new ATOM 0 HD22 ASN A 528 1.676 -5.845 -14.303 1.00 0.00 H new ATOM 1129 N GLY A 529 -2.210 -3.186 -12.016 1.00 0.00 N ATOM 1130 CA GLY A 529 -1.888 -1.776 -12.094 1.00 0.00 C ATOM 1131 C GLY A 529 -1.198 -1.287 -10.830 1.00 0.00 C ATOM 1132 O GLY A 529 -1.198 -0.091 -10.544 1.00 0.00 O ATOM 0 H GLY A 529 -2.925 -3.425 -11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 529 -1.242 -1.597 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -2.801 -1.202 -12.256 1.00 0.00 H new ATOM 1136 N ALA A 530 -0.623 -2.218 -10.059 1.00 0.00 N ATOM 1137 CA ALA A 530 0.051 -1.869 -8.813 1.00 0.00 C ATOM 1138 C ALA A 530 1.419 -2.554 -8.675 1.00 0.00 C ATOM 1139 O ALA A 530 1.709 -3.532 -9.353 1.00 0.00 O ATOM 1140 CB ALA A 530 -0.834 -2.238 -7.633 1.00 0.00 C ATOM 0 H ALA A 530 -0.613 -3.214 -10.279 1.00 0.00 H new ATOM 0 HA ALA A 530 0.229 -0.794 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 530 -0.329 -1.976 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -1.776 -1.693 -7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 530 -1.033 -3.310 -7.649 1.00 0.00 H new ATOM 1146 N TYR A 531 2.231 -2.040 -7.756 1.00 0.00 N ATOM 1147 CA TYR A 531 3.551 -2.594 -7.450 1.00 0.00 C ATOM 1148 C TYR A 531 3.707 -2.689 -5.934 1.00 0.00 C ATOM 1149 O TYR A 531 2.966 -2.030 -5.194 1.00 0.00 O ATOM 1150 CB TYR A 531 4.673 -1.727 -8.048 1.00 0.00 C ATOM 1151 CG TYR A 531 5.631 -1.140 -7.020 1.00 0.00 C ATOM 1152 CD1 TYR A 531 5.203 -0.167 -6.125 1.00 0.00 C ATOM 1153 CD2 TYR A 531 6.958 -1.553 -6.950 1.00 0.00 C ATOM 1154 CE1 TYR A 531 6.064 0.379 -5.193 1.00 0.00 C ATOM 1155 CE2 TYR A 531 7.823 -1.010 -6.016 1.00 0.00 C ATOM 1156 CZ TYR A 531 7.372 -0.045 -5.143 1.00 0.00 C ATOM 1157 OH TYR A 531 8.232 0.497 -4.217 1.00 0.00 O ATOM 0 H TYR A 531 1.992 -1.221 -7.197 1.00 0.00 H new ATOM 0 HA TYR A 531 3.630 -3.586 -7.896 1.00 0.00 H new ATOM 0 HB2 TYR A 531 5.243 -2.329 -8.755 1.00 0.00 H new ATOM 0 HB3 TYR A 531 4.223 -0.912 -8.614 1.00 0.00 H new ATOM 0 HD1 TYR A 531 4.177 0.169 -6.159 1.00 0.00 H new ATOM 0 HD2 TYR A 531 7.318 -2.308 -7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 531 5.712 1.135 -4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 531 8.850 -1.342 -5.972 1.00 0.00 H new ATOM 0 HH TYR A 531 9.117 0.088 -4.314 1.00 0.00 H new ATOM 1167 N VAL A 532 4.671 -3.482 -5.456 1.00 0.00 N ATOM 1168 CA VAL A 532 4.867 -3.587 -4.014 1.00 0.00 C ATOM 1169 C VAL A 532 6.323 -3.320 -3.616 1.00 0.00 C ATOM 1170 O VAL A 532 7.274 -3.818 -4.235 1.00 0.00 O ATOM 1171 CB VAL A 532 4.377 -4.966 -3.490 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.505 -5.769 -2.849 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.235 -4.778 -2.502 1.00 0.00 C ATOM 0 H VAL A 532 5.306 -4.041 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 532 4.263 -2.813 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 532 4.020 -5.534 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 532 5.117 -6.725 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 532 6.290 -5.945 -3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 532 5.915 -5.212 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.901 -5.751 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.578 -4.178 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.407 -4.270 -2.996 1.00 0.00 H new ATOM 1183 N GLY A 533 6.464 -2.515 -2.562 1.00 0.00 N ATOM 1184 CA GLY A 533 7.772 -2.155 -2.063 1.00 0.00 C ATOM 1185 C GLY A 533 7.897 -2.271 -0.560 1.00 0.00 C ATOM 1186 O GLY A 533 6.928 -2.073 0.175 1.00 0.00 O ATOM 0 H GLY A 533 5.685 -2.106 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.520 -2.794 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 533 7.996 -1.131 -2.360 1.00 0.00 H new ATOM 1190 N SER A 534 9.099 -2.598 -0.111 1.00 0.00 N ATOM 1191 CA SER A 534 9.377 -2.742 1.317 1.00 0.00 C ATOM 1192 C SER A 534 10.685 -2.061 1.715 1.00 0.00 C ATOM 1193 O SER A 534 11.673 -2.135 0.985 1.00 0.00 O ATOM 1194 CB SER A 534 9.436 -4.215 1.690 1.00 0.00 C ATOM 1195 OG SER A 534 8.568 -4.500 2.770 1.00 0.00 O ATOM 0 H SER A 534 9.903 -2.770 -0.715 1.00 0.00 H new ATOM 0 HA SER A 534 8.566 -2.254 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 534 9.162 -4.823 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 534 10.457 -4.485 1.959 1.00 0.00 H new ATOM 0 HG SER A 534 9.097 -4.710 3.568 1.00 0.00 H new ATOM 1201 N ARG A 535 10.707 -1.425 2.886 1.00 0.00 N ATOM 1202 CA ARG A 535 11.930 -0.777 3.363 1.00 0.00 C ATOM 1203 C ARG A 535 11.905 -0.558 4.877 1.00 0.00 C ATOM 1204 O ARG A 535 11.492 0.498 5.346 1.00 0.00 O ATOM 1205 CB ARG A 535 12.119 0.553 2.633 1.00 0.00 C ATOM 1206 CG ARG A 535 13.121 1.506 3.280 1.00 0.00 C ATOM 1207 CD ARG A 535 14.424 0.807 3.643 1.00 0.00 C ATOM 1208 NE ARG A 535 15.424 1.745 4.148 1.00 0.00 N ATOM 1209 CZ ARG A 535 15.344 2.352 5.331 1.00 0.00 C ATOM 1210 NH1 ARG A 535 14.316 2.117 6.137 1.00 0.00 N ATOM 1211 NH2 ARG A 535 16.296 3.194 5.709 1.00 0.00 N ATOM 0 H ARG A 535 9.907 -1.344 3.513 1.00 0.00 H new ATOM 0 HA ARG A 535 12.771 -1.436 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 535 12.442 0.348 1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 535 11.154 1.055 2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 535 13.330 2.330 2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 535 12.680 1.940 4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 535 14.229 0.044 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 535 14.818 0.295 2.765 1.00 0.00 H new ATOM 0 HE ARG A 535 16.232 1.947 3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 535 13.582 1.469 5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 535 14.260 2.585 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 535 17.089 3.377 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 535 16.235 3.659 6.615 1.00 0.00 H new ATOM 1401 N ASP A 549 15.531 -6.454 0.735 1.00 0.00 N ATOM 1402 CA ASP A 549 15.051 -6.324 2.098 1.00 0.00 C ATOM 1403 C ASP A 549 14.826 -4.859 2.396 1.00 0.00 C ATOM 1404 O ASP A 549 13.841 -4.474 3.027 1.00 0.00 O ATOM 1405 CB ASP A 549 16.055 -6.922 3.088 1.00 0.00 C ATOM 1406 CG ASP A 549 16.665 -8.217 2.587 1.00 0.00 C ATOM 1407 OD1 ASP A 549 16.004 -9.271 2.710 1.00 0.00 O ATOM 1408 OD2 ASP A 549 17.803 -8.179 2.075 1.00 0.00 O ATOM 0 HA ASP A 549 14.114 -6.871 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 549 16.849 -6.199 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 549 15.557 -7.104 4.040 1.00 0.00 H new ATOM 1413 N ASP A 550 15.761 -4.044 1.921 1.00 0.00 N ATOM 1414 CA ASP A 550 15.691 -2.615 2.112 1.00 0.00 C ATOM 1415 C ASP A 550 14.693 -2.008 1.141 1.00 0.00 C ATOM 1416 O ASP A 550 13.938 -1.108 1.487 1.00 0.00 O ATOM 1417 CB ASP A 550 17.068 -1.975 1.927 1.00 0.00 C ATOM 1418 CG ASP A 550 17.919 -2.062 3.179 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.455 -1.603 4.244 1.00 0.00 O ATOM 1420 OD2 ASP A 550 19.049 -2.587 3.094 1.00 0.00 O ATOM 0 H ASP A 550 16.578 -4.359 1.399 1.00 0.00 H new ATOM 0 HA ASP A 550 15.358 -2.419 3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 550 17.586 -2.467 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 550 16.945 -0.929 1.647 1.00 0.00 H new ATOM 1425 N LEU A 551 14.692 -2.518 -0.079 1.00 0.00 N ATOM 1426 CA LEU A 551 13.780 -2.038 -1.103 1.00 0.00 C ATOM 1427 C LEU A 551 13.089 -3.215 -1.776 1.00 0.00 C ATOM 1428 O LEU A 551 13.710 -4.239 -2.036 1.00 0.00 O ATOM 1429 CB LEU A 551 14.537 -1.203 -2.143 1.00 0.00 C ATOM 1430 CG LEU A 551 13.917 -1.177 -3.544 1.00 0.00 C ATOM 1431 CD1 LEU A 551 12.743 -0.212 -3.589 1.00 0.00 C ATOM 1432 CD2 LEU A 551 14.963 -0.796 -4.581 1.00 0.00 C ATOM 0 H LEU A 551 15.314 -3.266 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 551 13.026 -1.406 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 551 14.610 -0.179 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.554 -1.587 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 551 13.549 -2.176 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 551 12.315 -0.206 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 551 11.985 -0.528 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.086 0.791 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 551 14.506 -0.782 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 551 15.360 0.193 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 551 15.773 -1.525 -4.566 1.00 0.00 H new ATOM 1444 N THR A 552 11.810 -3.066 -2.074 1.00 0.00 N ATOM 1445 CA THR A 552 11.081 -4.130 -2.740 1.00 0.00 C ATOM 1446 C THR A 552 10.270 -3.587 -3.907 1.00 0.00 C ATOM 1447 O THR A 552 9.744 -2.477 -3.862 1.00 0.00 O ATOM 1448 CB THR A 552 10.182 -4.888 -1.762 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.818 -5.014 -0.504 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.827 -6.282 -2.235 1.00 0.00 C ATOM 0 H THR A 552 11.261 -2.231 -1.869 1.00 0.00 H new ATOM 0 HA THR A 552 11.814 -4.834 -3.133 1.00 0.00 H new ATOM 0 HB THR A 552 9.266 -4.301 -1.690 1.00 0.00 H new ATOM 0 HG1 THR A 552 11.405 -5.799 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 552 9.188 -6.765 -1.496 1.00 0.00 H new ATOM 0 HG22 THR A 552 9.299 -6.220 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 552 10.738 -6.866 -2.364 1.00 0.00 H new ATOM 1458 N PHE A 553 10.159 -4.397 -4.935 1.00 0.00 N ATOM 1459 CA PHE A 553 9.389 -4.063 -6.110 1.00 0.00 C ATOM 1460 C PHE A 553 8.549 -5.266 -6.476 1.00 0.00 C ATOM 1461 O PHE A 553 9.045 -6.383 -6.465 1.00 0.00 O ATOM 1462 CB PHE A 553 10.310 -3.690 -7.275 1.00 0.00 C ATOM 1463 CG PHE A 553 10.610 -2.222 -7.368 1.00 0.00 C ATOM 1464 CD1 PHE A 553 11.605 -1.653 -6.589 1.00 0.00 C ATOM 1465 CD2 PHE A 553 9.897 -1.410 -8.235 1.00 0.00 C ATOM 1466 CE1 PHE A 553 11.883 -0.302 -6.674 1.00 0.00 C ATOM 1467 CE2 PHE A 553 10.171 -0.058 -8.325 1.00 0.00 C ATOM 1468 CZ PHE A 553 11.165 0.496 -7.543 1.00 0.00 C ATOM 0 H PHE A 553 10.604 -5.314 -4.979 1.00 0.00 H new ATOM 0 HA PHE A 553 8.753 -3.203 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 553 11.248 -4.237 -7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 553 9.850 -4.017 -8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 553 12.170 -2.272 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 553 9.118 -1.838 -8.848 1.00 0.00 H new ATOM 0 HE1 PHE A 553 12.661 0.129 -6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 553 9.609 0.564 -9.006 1.00 0.00 H new ATOM 0 HZ PHE A 553 11.381 1.552 -7.611 1.00 0.00 H new ATOM 1478 N THR A 554 7.308 -5.071 -6.823 1.00 0.00 N ATOM 1479 CA THR A 554 6.494 -6.201 -7.217 1.00 0.00 C ATOM 1480 C THR A 554 5.730 -5.874 -8.479 1.00 0.00 C ATOM 1481 O THR A 554 5.187 -4.781 -8.613 1.00 0.00 O ATOM 1482 CB THR A 554 5.554 -6.619 -6.083 1.00 0.00 C ATOM 1483 OG1 THR A 554 6.298 -7.191 -5.019 1.00 0.00 O ATOM 1484 CG2 THR A 554 4.503 -7.632 -6.492 1.00 0.00 C ATOM 0 H THR A 554 6.840 -4.165 -6.844 1.00 0.00 H new ATOM 0 HA THR A 554 7.146 -7.049 -7.425 1.00 0.00 H new ATOM 0 HB THR A 554 5.044 -5.703 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 554 6.102 -8.149 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 554 3.878 -7.875 -5.633 1.00 0.00 H new ATOM 0 HG22 THR A 554 3.883 -7.213 -7.284 1.00 0.00 H new ATOM 0 HG23 THR A 554 4.991 -8.537 -6.854 1.00 0.00 H new ATOM 1492 N PRO A 555 5.640 -6.822 -9.413 1.00 0.00 N ATOM 1493 CA PRO A 555 4.897 -6.612 -10.626 1.00 0.00 C ATOM 1494 C PRO A 555 3.436 -6.941 -10.398 1.00 0.00 C ATOM 1495 O PRO A 555 2.706 -7.245 -11.339 1.00 0.00 O ATOM 1496 CB PRO A 555 5.556 -7.575 -11.599 1.00 0.00 C ATOM 1497 CG PRO A 555 6.014 -8.718 -10.753 1.00 0.00 C ATOM 1498 CD PRO A 555 6.217 -8.176 -9.356 1.00 0.00 C ATOM 0 HA PRO A 555 4.911 -5.585 -10.990 1.00 0.00 H new ATOM 0 HB2 PRO A 555 4.854 -7.906 -12.365 1.00 0.00 H new ATOM 0 HB3 PRO A 555 6.393 -7.105 -12.115 1.00 0.00 H new ATOM 0 HG2 PRO A 555 5.275 -9.519 -10.753 1.00 0.00 H new ATOM 0 HG3 PRO A 555 6.941 -9.140 -11.142 1.00 0.00 H new ATOM 0 HD2 PRO A 555 5.714 -8.793 -8.611 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.273 -8.149 -9.088 1.00 0.00 H new ATOM 1506 N ILE A 556 3.010 -6.832 -9.130 1.00 0.00 N ATOM 1507 CA ILE A 556 1.632 -7.069 -8.768 1.00 0.00 C ATOM 1508 C ILE A 556 1.180 -8.519 -8.999 1.00 0.00 C ATOM 1509 O ILE A 556 0.018 -8.767 -9.325 1.00 0.00 O ATOM 1510 CB ILE A 556 0.712 -6.076 -9.481 1.00 0.00 C ATOM 1511 CG1 ILE A 556 -0.416 -5.611 -8.559 1.00 0.00 C ATOM 1512 CG2 ILE A 556 0.160 -6.688 -10.728 1.00 0.00 C ATOM 1513 CD1 ILE A 556 0.050 -5.138 -7.197 1.00 0.00 C ATOM 0 H ILE A 556 3.613 -6.580 -8.347 1.00 0.00 H new ATOM 0 HA ILE A 556 1.559 -6.907 -7.693 1.00 0.00 H new ATOM 0 HB ILE A 556 1.300 -5.199 -9.754 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.958 -4.801 -9.047 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.122 -6.431 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -0.493 -5.972 -11.227 1.00 0.00 H new ATOM 0 HG22 ILE A 556 0.979 -6.957 -11.395 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -0.409 -7.582 -10.473 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.811 -4.826 -6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 556 0.565 -5.951 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 556 0.731 -4.296 -7.318 1.00 0.00 H new ATOM 1525 N LYS A 557 2.084 -9.477 -8.838 1.00 0.00 N ATOM 1526 CA LYS A 557 1.728 -10.876 -9.054 1.00 0.00 C ATOM 1527 C LYS A 557 1.581 -11.518 -7.691 1.00 0.00 C ATOM 1528 O LYS A 557 2.371 -11.270 -6.782 1.00 0.00 O ATOM 1529 CB LYS A 557 2.803 -11.592 -9.876 1.00 0.00 C ATOM 1530 CG LYS A 557 2.241 -12.438 -11.005 1.00 0.00 C ATOM 1531 CD LYS A 557 3.329 -12.863 -11.979 1.00 0.00 C ATOM 1532 CE LYS A 557 2.844 -12.801 -13.418 1.00 0.00 C ATOM 1533 NZ LYS A 557 3.868 -13.309 -14.372 1.00 0.00 N ATOM 0 H LYS A 557 3.053 -9.317 -8.563 1.00 0.00 H new ATOM 0 HA LYS A 557 0.796 -10.949 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.484 -10.850 -10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 557 3.391 -12.228 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.756 -13.322 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 557 1.475 -11.874 -11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.199 -12.217 -11.859 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.651 -13.878 -11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.931 -13.388 -13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 557 2.591 -11.772 -13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 3.498 -13.250 -15.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 4.731 -12.733 -14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 4.091 -14.299 -14.147 1.00 0.00 H new ATOM 1547 N THR A 558 0.469 -12.225 -7.522 1.00 0.00 N ATOM 1548 CA THR A 558 0.109 -12.756 -6.223 1.00 0.00 C ATOM 1549 C THR A 558 1.125 -13.689 -5.576 1.00 0.00 C ATOM 1550 O THR A 558 1.352 -14.819 -6.003 1.00 0.00 O ATOM 1551 CB THR A 558 -1.235 -13.479 -6.325 1.00 0.00 C ATOM 1552 OG1 THR A 558 -1.541 -14.140 -5.111 1.00 0.00 O ATOM 1553 CG2 THR A 558 -1.278 -14.509 -7.433 1.00 0.00 C ATOM 0 H THR A 558 -0.193 -12.440 -8.268 1.00 0.00 H new ATOM 0 HA THR A 558 0.065 -11.885 -5.570 1.00 0.00 H new ATOM 0 HB THR A 558 -1.966 -12.701 -6.546 1.00 0.00 H new ATOM 0 HG1 THR A 558 -2.405 -14.595 -5.195 1.00 0.00 H new ATOM 0 HG21 THR A 558 -2.259 -14.984 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 558 -1.094 -14.021 -8.390 1.00 0.00 H new ATOM 0 HG23 THR A 558 -0.512 -15.264 -7.258 1.00 0.00 H new ATOM 1561 N TRP A 559 1.610 -13.190 -4.446 1.00 0.00 N ATOM 1562 CA TRP A 559 2.493 -13.877 -3.528 1.00 0.00 C ATOM 1563 C TRP A 559 1.974 -13.496 -2.145 1.00 0.00 C ATOM 1564 O TRP A 559 2.026 -12.316 -1.794 1.00 0.00 O ATOM 1565 CB TRP A 559 3.942 -13.430 -3.704 1.00 0.00 C ATOM 1566 CG TRP A 559 4.345 -13.159 -5.128 1.00 0.00 C ATOM 1567 CD1 TRP A 559 4.025 -13.894 -6.232 1.00 0.00 C ATOM 1568 CD2 TRP A 559 5.167 -12.079 -5.593 1.00 0.00 C ATOM 1569 NE1 TRP A 559 4.595 -13.338 -7.353 1.00 0.00 N ATOM 1570 CE2 TRP A 559 5.302 -12.224 -6.985 1.00 0.00 C ATOM 1571 CE3 TRP A 559 5.802 -11.002 -4.964 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 6.046 -11.337 -7.757 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 6.539 -10.124 -5.731 1.00 0.00 C ATOM 1574 CH2 TRP A 559 6.656 -10.296 -7.113 1.00 0.00 C ATOM 0 H TRP A 559 1.383 -12.246 -4.134 1.00 0.00 H new ATOM 0 HA TRP A 559 2.494 -14.954 -3.694 1.00 0.00 H new ATOM 0 HB2 TRP A 559 4.104 -12.526 -3.116 1.00 0.00 H new ATOM 0 HB3 TRP A 559 4.598 -14.198 -3.294 1.00 0.00 H new ATOM 0 HD1 TRP A 559 3.413 -14.784 -6.226 1.00 0.00 H new ATOM 0 HE1 TRP A 559 4.506 -13.697 -8.304 1.00 0.00 H new ATOM 0 HE3 TRP A 559 5.716 -10.861 -3.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 6.138 -11.466 -8.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 7.034 -9.290 -5.256 1.00 0.00 H new ATOM 0 HH2 TRP A 559 7.241 -9.591 -7.685 1.00 0.00 H new ATOM 1585 N ASN A 560 1.403 -14.416 -1.384 1.00 0.00 N ATOM 1586 CA ASN A 560 0.826 -14.006 -0.106 1.00 0.00 C ATOM 1587 C ASN A 560 1.774 -14.083 1.087 1.00 0.00 C ATOM 1588 O ASN A 560 2.221 -13.059 1.595 1.00 0.00 O ATOM 1589 CB ASN A 560 -0.418 -14.849 0.186 1.00 0.00 C ATOM 1590 CG ASN A 560 -1.521 -14.622 -0.829 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -2.330 -13.705 -0.690 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -1.558 -15.461 -1.859 1.00 0.00 N ATOM 0 H ASN A 560 1.325 -15.408 -1.610 1.00 0.00 H new ATOM 0 HA ASN A 560 0.582 -12.950 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -0.145 -15.904 0.192 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -0.790 -14.610 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -2.278 -15.359 -2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -0.867 -16.207 -1.934 1.00 0.00 H new ATOM 1599 N ALA A 561 2.027 -15.286 1.565 1.00 0.00 N ATOM 1600 CA ALA A 561 2.866 -15.478 2.743 1.00 0.00 C ATOM 1601 C ALA A 561 4.361 -15.268 2.532 1.00 0.00 C ATOM 1602 O ALA A 561 4.969 -14.409 3.167 1.00 0.00 O ATOM 1603 CB ALA A 561 2.592 -16.833 3.343 1.00 0.00 C ATOM 0 H ALA A 561 1.665 -16.149 1.159 1.00 0.00 H new ATOM 0 HA ALA A 561 2.584 -14.684 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 561 3.220 -16.975 4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 561 1.543 -16.898 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 561 2.815 -17.608 2.609 1.00 0.00 H new ATOM 1609 N SER A 562 4.968 -16.093 1.698 1.00 0.00 N ATOM 1610 CA SER A 562 6.410 -16.028 1.480 1.00 0.00 C ATOM 1611 C SER A 562 6.908 -14.612 1.201 1.00 0.00 C ATOM 1612 O SER A 562 7.871 -14.151 1.823 1.00 0.00 O ATOM 1613 CB SER A 562 6.809 -16.950 0.328 1.00 0.00 C ATOM 1614 OG SER A 562 6.520 -18.303 0.636 1.00 0.00 O ATOM 0 H SER A 562 4.490 -16.816 1.160 1.00 0.00 H new ATOM 0 HA SER A 562 6.881 -16.357 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 562 6.277 -16.658 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 562 7.874 -16.840 0.121 1.00 0.00 H new ATOM 0 HG SER A 562 6.782 -18.873 -0.117 1.00 0.00 H new ATOM 1620 N LYS A 563 6.279 -13.934 0.262 1.00 0.00 N ATOM 1621 CA LYS A 563 6.697 -12.585 -0.104 1.00 0.00 C ATOM 1622 C LYS A 563 6.374 -11.551 0.972 1.00 0.00 C ATOM 1623 O LYS A 563 7.235 -10.758 1.346 1.00 0.00 O ATOM 1624 CB LYS A 563 6.082 -12.196 -1.442 1.00 0.00 C ATOM 1625 CG LYS A 563 6.607 -13.044 -2.588 1.00 0.00 C ATOM 1626 CD LYS A 563 8.115 -12.951 -2.707 1.00 0.00 C ATOM 1627 CE LYS A 563 8.800 -14.050 -1.915 1.00 0.00 C ATOM 1628 NZ LYS A 563 9.819 -14.770 -2.726 1.00 0.00 N ATOM 0 H LYS A 563 5.479 -14.288 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 563 7.783 -12.595 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 563 4.998 -12.298 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 563 6.293 -11.146 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 563 6.317 -14.083 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 563 6.147 -12.720 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 563 8.404 -13.021 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 563 8.451 -11.978 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 563 9.276 -13.619 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 563 8.053 -14.759 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 10.262 -15.512 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 9.361 -15.203 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 10.546 -14.099 -3.045 1.00 0.00 H new ATOM 1642 N THR A 564 5.143 -11.551 1.464 1.00 0.00 N ATOM 1643 CA THR A 564 4.741 -10.594 2.490 1.00 0.00 C ATOM 1644 C THR A 564 5.734 -10.601 3.656 1.00 0.00 C ATOM 1645 O THR A 564 6.408 -9.607 3.914 1.00 0.00 O ATOM 1646 CB THR A 564 3.302 -10.862 2.955 1.00 0.00 C ATOM 1647 OG1 THR A 564 2.761 -9.711 3.572 1.00 0.00 O ATOM 1648 CG2 THR A 564 3.146 -12.001 3.926 1.00 0.00 C ATOM 0 H THR A 564 4.409 -12.197 1.173 1.00 0.00 H new ATOM 0 HA THR A 564 4.757 -9.594 2.057 1.00 0.00 H new ATOM 0 HB THR A 564 2.774 -11.134 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 564 2.411 -9.948 4.456 1.00 0.00 H new ATOM 0 HG21 THR A 564 2.095 -12.110 4.193 1.00 0.00 H new ATOM 0 HG22 THR A 564 3.500 -12.923 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 564 3.730 -11.796 4.824 1.00 0.00 H new ATOM 1656 N GLN A 565 5.849 -11.725 4.339 1.00 0.00 N ATOM 1657 CA GLN A 565 6.778 -11.847 5.446 1.00 0.00 C ATOM 1658 C GLN A 565 8.176 -11.371 5.052 1.00 0.00 C ATOM 1659 O GLN A 565 8.818 -10.628 5.787 1.00 0.00 O ATOM 1660 CB GLN A 565 6.835 -13.286 5.955 1.00 0.00 C ATOM 1661 CG GLN A 565 7.479 -13.418 7.327 1.00 0.00 C ATOM 1662 CD GLN A 565 6.748 -12.626 8.398 1.00 0.00 C ATOM 1663 OE1 GLN A 565 6.895 -11.304 8.365 1.00 0.00 O flip ATOM 1664 NE2 GLN A 565 6.061 -13.195 9.245 1.00 0.00 N flip ATOM 0 H GLN A 565 5.309 -12.568 4.145 1.00 0.00 H new ATOM 0 HA GLN A 565 6.414 -11.208 6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 565 5.823 -13.689 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 565 7.391 -13.894 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 565 7.504 -14.470 7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 565 8.513 -13.078 7.272 1.00 0.00 H new ATOM 0 HE21 GLN A 565 5.976 -14.211 9.234 1.00 0.00 H new ATOM 0 HE22 GLN A 565 5.577 -12.650 9.959 1.00 0.00 H new ATOM 1673 N GLU A 566 8.652 -11.827 3.899 1.00 0.00 N ATOM 1674 CA GLU A 566 9.986 -11.479 3.417 1.00 0.00 C ATOM 1675 C GLU A 566 10.247 -9.977 3.478 1.00 0.00 C ATOM 1676 O GLU A 566 11.077 -9.516 4.261 1.00 0.00 O ATOM 1677 CB GLU A 566 10.165 -11.974 1.980 1.00 0.00 C ATOM 1678 CG GLU A 566 11.574 -11.795 1.439 1.00 0.00 C ATOM 1679 CD GLU A 566 11.869 -12.720 0.275 1.00 0.00 C ATOM 1680 OE1 GLU A 566 11.383 -12.443 -0.842 1.00 0.00 O ATOM 1681 OE2 GLU A 566 12.585 -13.722 0.480 1.00 0.00 O ATOM 0 H GLU A 566 8.130 -12.443 3.276 1.00 0.00 H new ATOM 0 HA GLU A 566 10.707 -11.966 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 566 9.900 -13.030 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 566 9.467 -11.442 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 566 11.709 -10.761 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 566 12.293 -11.980 2.237 1.00 0.00 H new ATOM 1688 N PHE A 567 9.552 -9.220 2.640 1.00 0.00 N ATOM 1689 CA PHE A 567 9.733 -7.773 2.596 1.00 0.00 C ATOM 1690 C PHE A 567 8.780 -7.064 3.535 1.00 0.00 C ATOM 1691 O PHE A 567 9.182 -6.233 4.350 1.00 0.00 O ATOM 1692 CB PHE A 567 9.502 -7.237 1.187 1.00 0.00 C ATOM 1693 CG PHE A 567 9.648 -8.259 0.114 1.00 0.00 C ATOM 1694 CD1 PHE A 567 10.883 -8.805 -0.178 1.00 0.00 C ATOM 1695 CD2 PHE A 567 8.541 -8.674 -0.602 1.00 0.00 C ATOM 1696 CE1 PHE A 567 11.011 -9.751 -1.170 1.00 0.00 C ATOM 1697 CE2 PHE A 567 8.662 -9.619 -1.591 1.00 0.00 C ATOM 1698 CZ PHE A 567 9.897 -10.155 -1.875 1.00 0.00 C ATOM 0 H PHE A 567 8.860 -9.581 1.983 1.00 0.00 H new ATOM 0 HA PHE A 567 10.759 -7.578 2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 567 8.501 -6.810 1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 567 10.205 -6.426 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 567 11.754 -8.487 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 567 7.572 -8.251 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 567 11.979 -10.174 -1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 567 7.791 -9.940 -2.144 1.00 0.00 H new ATOM 0 HZ PHE A 567 9.994 -10.896 -2.654 1.00 0.00 H new ATOM 1708 N ILE A 568 7.511 -7.398 3.393 1.00 0.00 N ATOM 1709 CA ILE A 568 6.442 -6.819 4.189 1.00 0.00 C ATOM 1710 C ILE A 568 6.651 -6.981 5.677 1.00 0.00 C ATOM 1711 O ILE A 568 5.777 -6.644 6.475 1.00 0.00 O ATOM 1712 CB ILE A 568 5.049 -7.288 3.731 1.00 0.00 C ATOM 1713 CG1 ILE A 568 4.724 -6.558 2.447 1.00 0.00 C ATOM 1714 CG2 ILE A 568 3.969 -7.039 4.779 1.00 0.00 C ATOM 1715 CD1 ILE A 568 5.645 -6.933 1.313 1.00 0.00 C ATOM 0 H ILE A 568 7.188 -8.087 2.714 1.00 0.00 H new ATOM 0 HA ILE A 568 6.483 -5.746 4.004 1.00 0.00 H new ATOM 0 HB ILE A 568 5.070 -8.367 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 568 3.695 -6.776 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 568 4.786 -5.484 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 568 3.008 -7.389 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 568 4.218 -7.578 5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 568 3.908 -5.972 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 568 5.364 -6.378 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 568 6.673 -6.690 1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 568 5.565 -8.002 1.117 1.00 0.00 H new ATOM 1727 N ILE A 569 7.828 -7.444 6.063 1.00 0.00 N ATOM 1728 CA ILE A 569 8.117 -7.571 7.474 1.00 0.00 C ATOM 1729 C ILE A 569 7.842 -6.199 8.031 1.00 0.00 C ATOM 1730 O ILE A 569 7.248 -6.040 9.097 1.00 0.00 O ATOM 1731 CB ILE A 569 9.604 -7.904 7.762 1.00 0.00 C ATOM 1732 CG1 ILE A 569 10.522 -7.263 6.704 1.00 0.00 C ATOM 1733 CG2 ILE A 569 9.831 -9.402 7.843 1.00 0.00 C ATOM 1734 CD1 ILE A 569 11.991 -7.557 6.922 1.00 0.00 C ATOM 0 H ILE A 569 8.579 -7.731 5.435 1.00 0.00 H new ATOM 0 HA ILE A 569 7.524 -8.377 7.906 1.00 0.00 H new ATOM 0 HB ILE A 569 9.857 -7.481 8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 569 10.231 -7.621 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 569 10.371 -6.184 6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 569 10.883 -9.600 8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 569 9.222 -9.819 8.645 1.00 0.00 H new ATOM 0 HG23 ILE A 569 9.551 -9.864 6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 569 12.578 -7.075 6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 569 12.298 -7.174 7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 569 12.156 -8.634 6.887 1.00 0.00 H new ATOM 1746 N ASP A 570 8.186 -5.213 7.205 1.00 0.00 N ATOM 1747 CA ASP A 570 7.897 -3.831 7.486 1.00 0.00 C ATOM 1748 C ASP A 570 8.001 -3.530 8.955 1.00 0.00 C ATOM 1749 O ASP A 570 7.053 -3.017 9.551 1.00 0.00 O ATOM 1750 CB ASP A 570 6.497 -3.513 6.972 1.00 0.00 C ATOM 1751 CG ASP A 570 6.326 -3.937 5.526 1.00 0.00 C ATOM 1752 OD1 ASP A 570 7.315 -3.869 4.768 1.00 0.00 O ATOM 1753 OD2 ASP A 570 5.209 -4.347 5.154 1.00 0.00 O ATOM 0 H ASP A 570 8.674 -5.363 6.322 1.00 0.00 H new ATOM 0 HA ASP A 570 8.633 -3.205 6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 570 5.757 -4.020 7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 570 6.309 -2.443 7.063 1.00 0.00 H new ATOM 1758 N GLY A 571 9.139 -3.839 9.552 1.00 0.00 N ATOM 1759 CA GLY A 571 9.264 -3.557 10.957 1.00 0.00 C ATOM 1760 C GLY A 571 8.876 -2.124 11.191 1.00 0.00 C ATOM 1761 O GLY A 571 8.080 -1.820 12.078 1.00 0.00 O ATOM 0 H GLY A 571 9.951 -4.265 9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.623 -4.222 11.536 1.00 0.00 H new ATOM 0 HA3 GLY A 571 10.287 -3.732 11.289 1.00 0.00 H new ATOM 1765 N ASP A 572 9.381 -1.245 10.330 1.00 0.00 N ATOM 1766 CA ASP A 572 9.010 0.148 10.392 1.00 0.00 C ATOM 1767 C ASP A 572 8.344 0.634 9.095 1.00 0.00 C ATOM 1768 O ASP A 572 7.728 1.700 9.096 1.00 0.00 O ATOM 1769 CB ASP A 572 10.240 1.006 10.691 1.00 0.00 C ATOM 1770 CG ASP A 572 9.928 2.158 11.625 1.00 0.00 C ATOM 1771 OD1 ASP A 572 9.778 1.913 12.840 1.00 0.00 O ATOM 1772 OD2 ASP A 572 9.834 3.305 11.141 1.00 0.00 O ATOM 0 H ASP A 572 10.043 -1.479 9.590 1.00 0.00 H new ATOM 0 HA ASP A 572 8.280 0.250 11.195 1.00 0.00 H new ATOM 0 HB2 ASP A 572 11.016 0.382 11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 572 10.642 1.398 9.757 1.00 0.00 H new ATOM 1777 N LEU A 573 8.485 -0.104 7.969 1.00 0.00 N ATOM 1778 CA LEU A 573 7.892 0.377 6.723 1.00 0.00 C ATOM 1779 C LEU A 573 7.261 -0.677 5.846 1.00 0.00 C ATOM 1780 O LEU A 573 7.849 -1.711 5.559 1.00 0.00 O ATOM 1781 CB LEU A 573 8.919 1.143 5.901 1.00 0.00 C ATOM 1782 CG LEU A 573 8.326 2.025 4.800 1.00 0.00 C ATOM 1783 CD1 LEU A 573 8.398 3.493 5.191 1.00 0.00 C ATOM 1784 CD2 LEU A 573 9.041 1.787 3.480 1.00 0.00 C ATOM 0 H LEU A 573 8.982 -0.993 7.906 1.00 0.00 H new ATOM 0 HA LEU A 573 7.077 1.022 7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 573 9.508 1.769 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 573 9.606 0.429 5.446 1.00 0.00 H new ATOM 0 HG LEU A 573 7.277 1.756 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.971 4.103 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.836 3.652 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.439 3.777 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.605 2.423 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 573 10.099 2.025 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 573 8.933 0.742 3.191 1.00 0.00 H new ATOM 1796 N LEU A 574 6.102 -0.324 5.341 1.00 0.00 N ATOM 1797 CA LEU A 574 5.387 -1.125 4.375 1.00 0.00 C ATOM 1798 C LEU A 574 4.900 -0.158 3.302 1.00 0.00 C ATOM 1799 O LEU A 574 4.344 0.883 3.643 1.00 0.00 O ATOM 1800 CB LEU A 574 4.192 -1.817 5.033 1.00 0.00 C ATOM 1801 CG LEU A 574 3.258 -2.597 4.100 1.00 0.00 C ATOM 1802 CD1 LEU A 574 4.006 -3.163 2.901 1.00 0.00 C ATOM 1803 CD2 LEU A 574 2.562 -3.713 4.866 1.00 0.00 C ATOM 0 H LEU A 574 5.622 0.540 5.593 1.00 0.00 H new ATOM 0 HA LEU A 574 6.027 -1.903 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 574 4.569 -2.504 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 574 3.603 -1.061 5.553 1.00 0.00 H new ATOM 0 HG LEU A 574 2.508 -1.902 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 574 3.311 -3.709 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 574 4.455 -2.347 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 574 4.789 -3.839 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 574 1.902 -4.259 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 574 3.308 -4.394 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.977 -3.285 5.680 1.00 0.00 H new ATOM 1815 N ILE A 575 5.068 -0.470 2.034 1.00 0.00 N ATOM 1816 CA ILE A 575 4.581 0.435 0.986 1.00 0.00 C ATOM 1817 C ILE A 575 3.826 -0.309 -0.089 1.00 0.00 C ATOM 1818 O ILE A 575 4.262 -1.355 -0.574 1.00 0.00 O ATOM 1819 CB ILE A 575 5.698 1.243 0.281 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.081 0.858 0.803 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.459 2.736 0.447 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.199 1.710 0.243 1.00 0.00 C ATOM 0 H ILE A 575 5.524 -1.318 1.698 1.00 0.00 H new ATOM 0 HA ILE A 575 3.930 1.127 1.520 1.00 0.00 H new ATOM 0 HB ILE A 575 5.667 1.000 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.085 0.937 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.274 -0.187 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.253 3.290 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 575 4.498 3.002 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.455 2.988 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.151 1.379 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.222 1.612 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.030 2.753 0.510 1.00 0.00 H new ATOM 1834 N LEU A 576 2.723 0.275 -0.495 1.00 0.00 N ATOM 1835 CA LEU A 576 1.919 -0.272 -1.552 1.00 0.00 C ATOM 1836 C LEU A 576 1.575 0.846 -2.501 1.00 0.00 C ATOM 1837 O LEU A 576 1.173 1.924 -2.065 1.00 0.00 O ATOM 1838 CB LEU A 576 0.634 -0.880 -0.973 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.693 -0.362 -1.569 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -1.058 -1.149 -2.826 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.792 -0.481 -0.530 1.00 0.00 C ATOM 0 H LEU A 576 2.361 1.143 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 576 2.465 -1.057 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.673 -1.960 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.622 -0.697 0.101 1.00 0.00 H new ATOM 0 HG LEU A 576 -0.576 0.685 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.996 -0.771 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -0.268 -1.035 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -1.171 -2.204 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.730 -0.116 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.907 -1.525 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -1.530 0.113 0.346 1.00 0.00 H new ATOM 1853 N LYS A 577 1.686 0.610 -3.784 1.00 0.00 N ATOM 1854 CA LYS A 577 1.322 1.650 -4.726 1.00 0.00 C ATOM 1855 C LYS A 577 0.348 1.104 -5.756 1.00 0.00 C ATOM 1856 O LYS A 577 0.553 0.020 -6.297 1.00 0.00 O ATOM 1857 CB LYS A 577 2.581 2.231 -5.387 1.00 0.00 C ATOM 1858 CG LYS A 577 2.727 1.906 -6.864 1.00 0.00 C ATOM 1859 CD LYS A 577 4.096 2.309 -7.385 1.00 0.00 C ATOM 1860 CE LYS A 577 4.054 3.662 -8.077 1.00 0.00 C ATOM 1861 NZ LYS A 577 5.314 3.949 -8.815 1.00 0.00 N ATOM 0 H LYS A 577 2.014 -0.263 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 577 0.824 2.460 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 577 2.572 3.314 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 577 3.458 1.858 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 577 2.576 0.838 -7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 577 1.953 2.424 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 577 4.805 2.344 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 577 4.458 1.554 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 577 3.213 3.689 -8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 577 3.881 4.443 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 5.244 4.880 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 6.114 3.949 -8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 5.466 3.218 -9.539 1.00 0.00 H new ATOM 1875 N LEU A 578 -0.696 1.863 -6.047 1.00 0.00 N ATOM 1876 CA LEU A 578 -1.663 1.442 -7.040 1.00 0.00 C ATOM 1877 C LEU A 578 -1.815 2.532 -8.081 1.00 0.00 C ATOM 1878 O LEU A 578 -1.980 3.718 -7.754 1.00 0.00 O ATOM 1879 CB LEU A 578 -3.010 1.133 -6.372 1.00 0.00 C ATOM 1880 CG LEU A 578 -2.912 0.405 -5.024 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -3.906 0.979 -4.020 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -3.134 -1.094 -5.207 1.00 0.00 C ATOM 0 H LEU A 578 -0.892 2.765 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 578 -1.314 0.532 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -3.549 2.069 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -3.606 0.526 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 578 -1.908 0.558 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -3.816 0.446 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -3.694 2.037 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -4.919 0.866 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -3.061 -1.593 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -4.124 -1.266 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -2.376 -1.494 -5.881 1.00 0.00 H new ATOM 1894 N GLY A 579 -1.770 2.110 -9.338 1.00 0.00 N ATOM 1895 CA GLY A 579 -1.881 3.035 -10.434 1.00 0.00 C ATOM 1896 C GLY A 579 -3.300 3.279 -10.852 1.00 0.00 C ATOM 1897 O GLY A 579 -3.547 4.091 -11.745 1.00 0.00 O ATOM 0 H GLY A 579 -1.657 1.134 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 579 -1.423 3.983 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 579 -1.318 2.651 -11.285 1.00 0.00 H new ATOM 1901 N LYS A 580 -4.252 2.604 -10.216 1.00 0.00 N ATOM 1902 CA LYS A 580 -5.629 2.829 -10.582 1.00 0.00 C ATOM 1903 C LYS A 580 -5.988 4.249 -10.205 1.00 0.00 C ATOM 1904 O LYS A 580 -6.456 5.024 -11.040 1.00 0.00 O ATOM 1905 CB LYS A 580 -6.544 1.838 -9.855 1.00 0.00 C ATOM 1906 CG LYS A 580 -6.351 1.839 -8.346 1.00 0.00 C ATOM 1907 CD LYS A 580 -7.110 0.709 -7.674 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.834 0.675 -6.176 1.00 0.00 C ATOM 1909 NZ LYS A 580 -8.016 0.208 -5.397 1.00 0.00 N ATOM 0 H LYS A 580 -4.097 1.923 -9.473 1.00 0.00 H new ATOM 0 HA LYS A 580 -5.761 2.680 -11.654 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -7.583 2.079 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -6.359 0.834 -10.238 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -5.289 1.749 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -6.686 2.793 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -8.179 0.832 -7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -6.822 -0.242 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -5.988 0.017 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -6.549 1.671 -5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -8.164 0.835 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -8.860 0.225 -6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -7.850 -0.762 -5.062 1.00 0.00 H new ATOM 1923 N TRP A 581 -5.691 4.618 -8.962 1.00 0.00 N ATOM 1924 CA TRP A 581 -5.910 5.980 -8.529 1.00 0.00 C ATOM 1925 C TRP A 581 -4.830 6.509 -7.591 1.00 0.00 C ATOM 1926 O TRP A 581 -4.333 7.622 -7.769 1.00 0.00 O ATOM 1927 CB TRP A 581 -7.293 6.159 -7.886 1.00 0.00 C ATOM 1928 CG TRP A 581 -7.907 4.902 -7.351 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -7.584 4.260 -6.192 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -8.965 4.145 -7.949 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -8.375 3.148 -6.033 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -9.231 3.056 -7.100 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -9.714 4.283 -9.122 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -10.214 2.111 -7.385 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -10.688 3.345 -9.404 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -10.931 2.271 -8.539 1.00 0.00 C ATOM 0 H TRP A 581 -5.304 3.997 -8.251 1.00 0.00 H new ATOM 0 HA TRP A 581 -5.859 6.575 -9.441 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -7.209 6.880 -7.073 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -7.968 6.590 -8.625 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -6.818 4.579 -5.500 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -8.332 2.497 -5.249 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -9.534 5.108 -9.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -10.403 1.282 -6.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -11.272 3.442 -10.307 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -11.700 1.555 -8.788 1.00 0.00 H new ATOM 1947 N LYS A 582 -4.552 5.750 -6.526 1.00 0.00 N ATOM 1948 CA LYS A 582 -3.630 6.206 -5.504 1.00 0.00 C ATOM 1949 C LYS A 582 -2.701 5.135 -4.978 1.00 0.00 C ATOM 1950 O LYS A 582 -2.936 3.933 -5.123 1.00 0.00 O ATOM 1951 CB LYS A 582 -4.411 6.818 -4.340 1.00 0.00 C ATOM 1952 CG LYS A 582 -5.191 5.798 -3.525 1.00 0.00 C ATOM 1953 CD LYS A 582 -6.477 6.390 -2.975 1.00 0.00 C ATOM 1954 CE LYS A 582 -7.554 6.476 -4.044 1.00 0.00 C ATOM 1955 NZ LYS A 582 -8.538 7.556 -3.756 1.00 0.00 N ATOM 0 H LYS A 582 -4.952 4.827 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 582 -2.995 6.949 -5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -3.716 7.341 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -5.103 7.564 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -5.424 4.935 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -4.573 5.439 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -6.834 5.779 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -6.279 7.385 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -7.090 6.657 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -8.074 5.520 -4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -9.256 7.582 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -9.000 7.370 -2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -8.046 8.472 -3.715 1.00 0.00 H new ATOM 1969 N MET A 583 -1.688 5.598 -4.277 1.00 0.00 N ATOM 1970 CA MET A 583 -0.759 4.736 -3.599 1.00 0.00 C ATOM 1971 C MET A 583 -1.030 4.889 -2.114 1.00 0.00 C ATOM 1972 O MET A 583 -1.178 6.001 -1.602 1.00 0.00 O ATOM 1973 CB MET A 583 0.693 5.121 -3.922 1.00 0.00 C ATOM 1974 CG MET A 583 1.596 5.241 -2.696 1.00 0.00 C ATOM 1975 SD MET A 583 3.331 5.474 -3.131 1.00 0.00 S ATOM 1976 CE MET A 583 4.123 5.121 -1.563 1.00 0.00 C ATOM 0 H MET A 583 -1.489 6.592 -4.164 1.00 0.00 H new ATOM 0 HA MET A 583 -0.889 3.703 -3.921 1.00 0.00 H new ATOM 0 HB2 MET A 583 1.113 4.376 -4.597 1.00 0.00 H new ATOM 0 HB3 MET A 583 0.695 6.072 -4.455 1.00 0.00 H new ATOM 0 HG2 MET A 583 1.263 6.080 -2.085 1.00 0.00 H new ATOM 0 HG3 MET A 583 1.496 4.343 -2.086 1.00 0.00 H new ATOM 0 HE1 MET A 583 4.440 6.054 -1.097 1.00 0.00 H new ATOM 0 HE2 MET A 583 3.419 4.608 -0.907 1.00 0.00 H new ATOM 0 HE3 MET A 583 4.993 4.485 -1.730 1.00 0.00 H new ATOM 1986 N LYS A 584 -1.071 3.776 -1.432 1.00 0.00 N ATOM 1987 CA LYS A 584 -1.293 3.769 -0.008 1.00 0.00 C ATOM 1988 C LYS A 584 -0.037 3.239 0.645 1.00 0.00 C ATOM 1989 O LYS A 584 0.529 2.236 0.217 1.00 0.00 O ATOM 1990 CB LYS A 584 -2.509 2.886 0.302 1.00 0.00 C ATOM 1991 CG LYS A 584 -3.076 3.039 1.706 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.544 1.964 2.608 1.00 0.00 C ATOM 1993 CE LYS A 584 -3.420 0.736 2.529 1.00 0.00 C ATOM 1994 NZ LYS A 584 -2.803 -0.422 3.214 1.00 0.00 N ATOM 0 H LYS A 584 -0.952 2.851 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 584 -1.502 4.768 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -3.296 3.112 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -2.229 1.843 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -2.815 4.019 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -4.164 2.988 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -1.523 1.711 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -2.506 2.327 3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -4.389 0.951 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -3.602 0.486 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -3.542 -1.108 3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -2.114 -0.874 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.319 -0.098 4.076 1.00 0.00 H new ATOM 2008 N LEU A 585 0.395 3.917 1.676 1.00 0.00 N ATOM 2009 CA LEU A 585 1.590 3.532 2.394 1.00 0.00 C ATOM 2010 C LEU A 585 1.221 3.307 3.838 1.00 0.00 C ATOM 2011 O LEU A 585 0.447 4.066 4.414 1.00 0.00 O ATOM 2012 CB LEU A 585 2.661 4.620 2.257 1.00 0.00 C ATOM 2013 CG LEU A 585 3.687 4.699 3.395 1.00 0.00 C ATOM 2014 CD1 LEU A 585 4.684 3.557 3.305 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.404 6.040 3.377 1.00 0.00 C ATOM 0 H LEU A 585 -0.067 4.749 2.043 1.00 0.00 H new ATOM 0 HA LEU A 585 2.004 2.613 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 585 3.197 4.459 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.162 5.586 2.176 1.00 0.00 H new ATOM 0 HG LEU A 585 3.153 4.608 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 585 5.401 3.635 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 585 4.156 2.606 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 585 5.212 3.609 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.127 6.077 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 585 4.922 6.163 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 585 3.677 6.843 3.501 1.00 0.00 H new ATOM 2027 N VAL A 586 1.738 2.248 4.411 1.00 0.00 N ATOM 2028 CA VAL A 586 1.411 1.925 5.776 1.00 0.00 C ATOM 2029 C VAL A 586 2.636 1.589 6.605 1.00 0.00 C ATOM 2030 O VAL A 586 3.573 0.955 6.129 1.00 0.00 O ATOM 2031 CB VAL A 586 0.418 0.747 5.809 1.00 0.00 C ATOM 2032 CG1 VAL A 586 0.408 0.053 7.165 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -0.969 1.239 5.446 1.00 0.00 C ATOM 0 H VAL A 586 2.382 1.600 3.957 1.00 0.00 H new ATOM 0 HA VAL A 586 0.957 2.812 6.218 1.00 0.00 H new ATOM 0 HB VAL A 586 0.741 0.009 5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -0.305 -0.771 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 586 1.404 -0.333 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 586 0.118 0.766 7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -1.669 0.404 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.285 1.998 6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -0.952 1.669 4.445 1.00 0.00 H new ATOM 2043 N SER A 587 2.592 1.984 7.866 1.00 0.00 N ATOM 2044 CA SER A 587 3.672 1.682 8.794 1.00 0.00 C ATOM 2045 C SER A 587 3.148 0.655 9.789 1.00 0.00 C ATOM 2046 O SER A 587 2.011 0.767 10.247 1.00 0.00 O ATOM 2047 CB SER A 587 4.129 2.947 9.524 1.00 0.00 C ATOM 2048 OG SER A 587 5.117 3.638 8.780 1.00 0.00 O ATOM 0 H SER A 587 1.821 2.514 8.272 1.00 0.00 H new ATOM 0 HA SER A 587 4.534 1.288 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 587 3.274 3.601 9.694 1.00 0.00 H new ATOM 0 HB3 SER A 587 4.527 2.681 10.503 1.00 0.00 H new ATOM 0 HG SER A 587 5.959 3.137 8.809 1.00 0.00 H new ATOM 2054 N ILE A 588 3.938 -0.364 10.100 1.00 0.00 N ATOM 2055 CA ILE A 588 3.473 -1.398 11.010 1.00 0.00 C ATOM 2056 C ILE A 588 4.477 -1.741 12.086 1.00 0.00 C ATOM 2057 O ILE A 588 5.670 -1.899 11.830 1.00 0.00 O ATOM 2058 CB ILE A 588 3.096 -2.686 10.251 1.00 0.00 C ATOM 2059 CG1 ILE A 588 3.953 -2.841 8.994 1.00 0.00 C ATOM 2060 CG2 ILE A 588 1.618 -2.679 9.890 1.00 0.00 C ATOM 2061 CD1 ILE A 588 3.522 -1.939 7.860 1.00 0.00 C ATOM 0 H ILE A 588 4.885 -0.495 9.743 1.00 0.00 H new ATOM 0 HA ILE A 588 2.591 -0.979 11.494 1.00 0.00 H new ATOM 0 HB ILE A 588 3.288 -3.537 10.904 1.00 0.00 H new ATOM 0 HG12 ILE A 588 4.993 -2.628 9.243 1.00 0.00 H new ATOM 0 HG13 ILE A 588 3.911 -3.878 8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 588 1.370 -3.596 9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 588 1.021 -2.617 10.800 1.00 0.00 H new ATOM 0 HG23 ILE A 588 1.402 -1.819 9.256 1.00 0.00 H new ATOM 0 HD11 ILE A 588 4.172 -2.100 7.000 1.00 0.00 H new ATOM 0 HD12 ILE A 588 2.492 -2.167 7.585 1.00 0.00 H new ATOM 0 HD13 ILE A 588 3.590 -0.898 8.177 1.00 0.00 H new ATOM 2073 N VAL A 589 3.956 -1.880 13.294 1.00 0.00 N ATOM 2074 CA VAL A 589 4.769 -2.237 14.445 1.00 0.00 C ATOM 2075 C VAL A 589 4.107 -3.349 15.247 1.00 0.00 C ATOM 2076 O VAL A 589 2.897 -3.327 15.476 1.00 0.00 O ATOM 2077 CB VAL A 589 5.018 -1.027 15.364 1.00 0.00 C ATOM 2078 CG1 VAL A 589 6.038 -0.086 14.743 1.00 0.00 C ATOM 2079 CG2 VAL A 589 3.715 -0.298 15.652 1.00 0.00 C ATOM 0 H VAL A 589 2.966 -1.750 13.504 1.00 0.00 H new ATOM 0 HA VAL A 589 5.729 -2.584 14.062 1.00 0.00 H new ATOM 0 HB VAL A 589 5.421 -1.389 16.310 1.00 0.00 H new ATOM 0 HG11 VAL A 589 6.201 0.763 15.407 1.00 0.00 H new ATOM 0 HG12 VAL A 589 6.979 -0.616 14.594 1.00 0.00 H new ATOM 0 HG13 VAL A 589 5.666 0.271 13.782 1.00 0.00 H new ATOM 0 HG21 VAL A 589 3.911 0.554 16.303 1.00 0.00 H new ATOM 0 HG22 VAL A 589 3.280 0.053 14.716 1.00 0.00 H new ATOM 0 HG23 VAL A 589 3.019 -0.978 16.144 1.00 0.00 H new ATOM 2089 N SER A 590 4.906 -4.319 15.673 1.00 0.00 N ATOM 2090 CA SER A 590 4.394 -5.437 16.451 1.00 0.00 C ATOM 2091 C SER A 590 4.269 -5.051 17.918 1.00 0.00 C ATOM 2092 O SER A 590 5.058 -4.257 18.430 1.00 0.00 O ATOM 2093 CB SER A 590 5.313 -6.651 16.305 1.00 0.00 C ATOM 2094 OG SER A 590 4.950 -7.433 15.181 1.00 0.00 O ATOM 0 H SER A 590 5.909 -4.353 15.493 1.00 0.00 H new ATOM 0 HA SER A 590 3.405 -5.696 16.072 1.00 0.00 H new ATOM 0 HB2 SER A 590 6.346 -6.319 16.202 1.00 0.00 H new ATOM 0 HB3 SER A 590 5.262 -7.260 17.207 1.00 0.00 H new ATOM 0 HG SER A 590 5.540 -8.213 15.121 1.00 0.00 H new