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 562 SER OG : rot 179:sc= -0.253 USER MOD Set 1.2: A 563 LYS NZ :NH3+ -173:sc= -0.93 (180deg=-0.804) USER MOD Set 2.1: A 534 SER OG : rot -60:sc= -5.17! USER MOD Set 2.2: A 552 THR OG1 : rot -70:sc= -6.32! USER MOD Set 3.1: A 506 SER OG : rot 77:sc= 1.3 USER MOD Set 3.2: A 522 GLN : amide:sc= -1.2 K(o=0.092,f=-11!) USER MOD Single : A 494 THR OG1 : rot 180:sc= 0 USER MOD Single : A 497 LYS NZ :NH3+ 154:sc= -0.104 (180deg=-0.577) USER MOD Single : A 498 SER OG : rot 180:sc= 0 USER MOD Single : A 501 TYR OH : rot 69:sc= 0.325 USER MOD Single : A 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 504 THR OG1 : rot 107:sc= -2.53! USER MOD Single : A 507 LYS NZ :NH3+ 176:sc= -2.45 (180deg=-2.56) USER MOD Single : A 511 SER OG : rot 85:sc= 0.838 USER MOD Single : A 517 SER OG : rot 170:sc= -2.59! USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 SER OG : rot 90:sc= -0.442 USER MOD Single : A 526 ASN :FLIP amide:sc= -0.0639 F(o=-0.64,f=-0.064) USER MOD Single : A 527 ASN :FLIP amide:sc= -2.58 F(o=-5.2!,f=-2.6) USER MOD Single : A 528 ASN : amide:sc= -2.81 K(o=-2.8,f=-4.5!) USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 THR OG1 : rot 35:sc= -5.21! 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= -0.0409 K(o=-0.041,f=-1.1) USER MOD Single : A 564 THR OG1 : rot -105:sc= -0.836! USER MOD Single : A 565 GLN :FLIP amide:sc= -3.38! C(o=-4.1!,f=-3.4!) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 LYS NZ :NH3+ 144:sc= 1.79 (180deg=1.27) USER MOD Single : A 582 LYS NZ :NH3+ -106:sc= -0.448 (180deg=-1.47!) USER MOD Single : A 583 MET CE :methyl -160:sc= 0 (180deg=-0.0666) USER MOD Single : A 584 LYS NZ :NH3+ 137:sc= -6.1! (180deg=-8.76!) 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 -0.556 8.671 1.072 1.00 0.00 N ATOM 524 CA ALA A 491 -1.490 8.303 2.130 1.00 0.00 C ATOM 525 C ALA A 491 -0.892 7.219 3.022 1.00 0.00 C ATOM 526 O ALA A 491 -0.327 6.242 2.529 1.00 0.00 O ATOM 527 CB ALA A 491 -2.805 7.847 1.522 1.00 0.00 C ATOM 0 HA ALA A 491 -1.682 9.176 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 491 -3.498 7.574 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 491 -3.233 8.657 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 491 -2.629 6.983 0.881 1.00 0.00 H new ATOM 533 N ARG A 492 -1.026 7.383 4.338 1.00 0.00 N ATOM 534 CA ARG A 492 -0.506 6.407 5.284 1.00 0.00 C ATOM 535 C ARG A 492 -1.494 6.112 6.408 1.00 0.00 C ATOM 536 O ARG A 492 -2.057 7.026 7.011 1.00 0.00 O ATOM 537 CB ARG A 492 0.814 6.902 5.875 1.00 0.00 C ATOM 538 CG ARG A 492 1.897 5.838 5.919 1.00 0.00 C ATOM 539 CD ARG A 492 1.638 4.815 7.016 1.00 0.00 C ATOM 540 NE ARG A 492 2.472 5.050 8.193 1.00 0.00 N ATOM 541 CZ ARG A 492 2.094 5.776 9.244 1.00 0.00 C ATOM 542 NH1 ARG A 492 0.894 6.343 9.277 1.00 0.00 N ATOM 543 NH2 ARG A 492 2.921 5.934 10.269 1.00 0.00 N ATOM 0 H ARG A 492 -1.490 8.183 4.769 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.342 5.479 4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 492 1.171 7.748 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 492 0.635 7.269 6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.949 5.332 4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 492 2.865 6.311 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.587 4.850 7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 492 1.829 3.814 6.630 1.00 0.00 H new ATOM 0 HE ARG A 492 3.402 4.632 8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 492 0.252 6.225 8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 492 0.614 6.897 10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 492 3.844 5.500 10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 492 2.634 6.489 11.075 1.00 0.00 H new ATOM 557 N VAL A 493 -1.658 4.836 6.714 1.00 0.00 N ATOM 558 CA VAL A 493 -2.528 4.406 7.801 1.00 0.00 C ATOM 559 C VAL A 493 -1.842 3.330 8.650 1.00 0.00 C ATOM 560 O VAL A 493 -0.870 2.715 8.208 1.00 0.00 O ATOM 561 CB VAL A 493 -3.860 3.855 7.276 1.00 0.00 C ATOM 562 CG1 VAL A 493 -4.750 3.394 8.419 1.00 0.00 C ATOM 563 CG2 VAL A 493 -4.568 4.899 6.428 1.00 0.00 C ATOM 0 H VAL A 493 -1.196 4.072 6.221 1.00 0.00 H new ATOM 0 HA VAL A 493 -2.730 5.285 8.414 1.00 0.00 H new ATOM 0 HB VAL A 493 -3.647 2.988 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.687 3.008 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -4.244 2.608 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.957 4.235 9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -5.511 4.493 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -4.764 5.786 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.937 5.168 5.581 1.00 0.00 H new ATOM 573 N THR A 494 -2.351 3.078 9.857 1.00 0.00 N ATOM 574 CA THR A 494 -1.767 2.042 10.708 1.00 0.00 C ATOM 575 C THR A 494 -2.817 1.004 11.117 1.00 0.00 C ATOM 576 O THR A 494 -3.935 1.347 11.505 1.00 0.00 O ATOM 577 CB THR A 494 -1.122 2.678 11.944 1.00 0.00 C ATOM 578 OG1 THR A 494 0.052 3.383 11.585 1.00 0.00 O ATOM 579 CG2 THR A 494 -0.741 1.676 13.016 1.00 0.00 C ATOM 0 H THR A 494 -3.150 3.566 10.261 1.00 0.00 H new ATOM 0 HA THR A 494 -0.996 1.524 10.137 1.00 0.00 H new ATOM 0 HB THR A 494 -1.883 3.344 12.351 1.00 0.00 H new ATOM 0 HG1 THR A 494 0.450 3.784 12.385 1.00 0.00 H new ATOM 0 HG21 THR A 494 -0.291 2.199 13.859 1.00 0.00 H new ATOM 0 HG22 THR A 494 -1.632 1.146 13.352 1.00 0.00 H new ATOM 0 HG23 THR A 494 -0.026 0.961 12.608 1.00 0.00 H new ATOM 587 N LEU A 495 -2.430 -0.269 11.029 1.00 0.00 N ATOM 588 CA LEU A 495 -3.300 -1.387 11.388 1.00 0.00 C ATOM 589 C LEU A 495 -2.536 -2.401 12.244 1.00 0.00 C ATOM 590 O LEU A 495 -1.308 -2.377 12.291 1.00 0.00 O ATOM 591 CB LEU A 495 -3.883 -2.041 10.119 1.00 0.00 C ATOM 592 CG LEU A 495 -3.318 -3.416 9.725 1.00 0.00 C ATOM 593 CD1 LEU A 495 -4.404 -4.278 9.102 1.00 0.00 C ATOM 594 CD2 LEU A 495 -2.150 -3.256 8.763 1.00 0.00 C ATOM 0 H LEU A 495 -1.505 -0.553 10.707 1.00 0.00 H new ATOM 0 HA LEU A 495 -4.134 -1.013 11.981 1.00 0.00 H new ATOM 0 HB2 LEU A 495 -4.960 -2.142 10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 495 -3.729 -1.358 9.283 1.00 0.00 H new ATOM 0 HG LEU A 495 -2.958 -3.912 10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 495 -3.987 -5.247 8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 495 -5.212 -4.420 9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 495 -4.792 -3.786 8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 495 -1.762 -4.239 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 495 -2.487 -2.741 7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 495 -1.362 -2.673 9.241 1.00 0.00 H new ATOM 606 N PRO A 496 -3.248 -3.307 12.935 1.00 0.00 N ATOM 607 CA PRO A 496 -2.610 -4.326 13.780 1.00 0.00 C ATOM 608 C PRO A 496 -1.627 -5.201 12.996 1.00 0.00 C ATOM 609 O PRO A 496 -2.006 -5.869 12.034 1.00 0.00 O ATOM 610 CB PRO A 496 -3.789 -5.168 14.282 1.00 0.00 C ATOM 611 CG PRO A 496 -4.983 -4.286 14.140 1.00 0.00 C ATOM 612 CD PRO A 496 -4.716 -3.418 12.944 1.00 0.00 C ATOM 0 HA PRO A 496 -2.020 -3.877 14.579 1.00 0.00 H new ATOM 0 HB2 PRO A 496 -3.900 -6.080 13.696 1.00 0.00 H new ATOM 0 HB3 PRO A 496 -3.644 -5.471 15.319 1.00 0.00 H new ATOM 0 HG2 PRO A 496 -5.889 -4.875 14.000 1.00 0.00 H new ATOM 0 HG3 PRO A 496 -5.131 -3.682 15.035 1.00 0.00 H new ATOM 0 HD2 PRO A 496 -5.092 -3.869 12.026 1.00 0.00 H new ATOM 0 HD3 PRO A 496 -5.194 -2.443 13.039 1.00 0.00 H new ATOM 620 N LYS A 497 -0.365 -5.182 13.415 1.00 0.00 N ATOM 621 CA LYS A 497 0.690 -5.959 12.764 1.00 0.00 C ATOM 622 C LYS A 497 0.370 -7.452 12.720 1.00 0.00 C ATOM 623 O LYS A 497 0.815 -8.163 11.820 1.00 0.00 O ATOM 624 CB LYS A 497 2.016 -5.746 13.496 1.00 0.00 C ATOM 625 CG LYS A 497 3.191 -6.465 12.851 1.00 0.00 C ATOM 626 CD LYS A 497 4.058 -7.162 13.887 1.00 0.00 C ATOM 627 CE LYS A 497 3.614 -8.598 14.111 1.00 0.00 C ATOM 628 NZ LYS A 497 3.790 -9.432 12.888 1.00 0.00 N ATOM 0 H LYS A 497 -0.044 -4.631 14.211 1.00 0.00 H new ATOM 0 HA LYS A 497 0.763 -5.606 11.735 1.00 0.00 H new ATOM 0 HB2 LYS A 497 2.232 -4.678 13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 497 1.912 -6.089 14.525 1.00 0.00 H new ATOM 0 HG2 LYS A 497 2.821 -7.197 12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 497 3.794 -5.749 12.293 1.00 0.00 H new ATOM 0 HD2 LYS A 497 5.098 -7.148 13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 497 4.012 -6.615 14.829 1.00 0.00 H new ATOM 0 HE2 LYS A 497 4.187 -9.031 14.931 1.00 0.00 H new ATOM 0 HE3 LYS A 497 2.566 -8.611 14.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 3.909 -10.428 13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 2.952 -9.338 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 4.632 -9.113 12.368 1.00 0.00 H new ATOM 642 N SER A 498 -0.368 -7.931 13.709 1.00 0.00 N ATOM 643 CA SER A 498 -0.702 -9.354 13.785 1.00 0.00 C ATOM 644 C SER A 498 -1.329 -9.880 12.489 1.00 0.00 C ATOM 645 O SER A 498 -0.920 -10.922 11.980 1.00 0.00 O ATOM 646 CB SER A 498 -1.654 -9.606 14.955 1.00 0.00 C ATOM 647 OG SER A 498 -1.348 -10.825 15.609 1.00 0.00 O ATOM 0 H SER A 498 -0.747 -7.364 14.468 1.00 0.00 H new ATOM 0 HA SER A 498 0.232 -9.894 13.939 1.00 0.00 H new ATOM 0 HB2 SER A 498 -1.588 -8.782 15.666 1.00 0.00 H new ATOM 0 HB3 SER A 498 -2.682 -9.632 14.592 1.00 0.00 H new ATOM 0 HG SER A 498 -1.970 -10.962 16.354 1.00 0.00 H new ATOM 653 N LEU A 499 -2.320 -9.167 11.962 1.00 0.00 N ATOM 654 CA LEU A 499 -2.995 -9.586 10.728 1.00 0.00 C ATOM 655 C LEU A 499 -2.128 -9.369 9.494 1.00 0.00 C ATOM 656 O LEU A 499 -2.472 -9.816 8.402 1.00 0.00 O ATOM 657 CB LEU A 499 -4.311 -8.830 10.567 1.00 0.00 C ATOM 658 CG LEU A 499 -5.090 -8.649 11.864 1.00 0.00 C ATOM 659 CD1 LEU A 499 -5.434 -7.183 12.088 1.00 0.00 C ATOM 660 CD2 LEU A 499 -6.351 -9.501 11.859 1.00 0.00 C ATOM 0 H LEU A 499 -2.676 -8.300 12.364 1.00 0.00 H new ATOM 0 HA LEU A 499 -3.188 -10.655 10.814 1.00 0.00 H new ATOM 0 HB2 LEU A 499 -4.103 -7.848 10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 499 -4.938 -9.362 9.851 1.00 0.00 H new ATOM 0 HG LEU A 499 -4.457 -8.980 12.688 1.00 0.00 H new ATOM 0 HD11 LEU A 499 -5.990 -7.078 13.020 1.00 0.00 H new ATOM 0 HD12 LEU A 499 -4.516 -6.598 12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 499 -6.043 -6.821 11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 499 -6.892 -9.356 12.794 1.00 0.00 H new ATOM 0 HD22 LEU A 499 -6.986 -9.206 11.024 1.00 0.00 H new ATOM 0 HD23 LEU A 499 -6.080 -10.552 11.756 1.00 0.00 H new ATOM 672 N VAL A 500 -1.007 -8.687 9.677 1.00 0.00 N ATOM 673 CA VAL A 500 -0.083 -8.399 8.595 1.00 0.00 C ATOM 674 C VAL A 500 0.442 -9.681 7.967 1.00 0.00 C ATOM 675 O VAL A 500 0.889 -9.696 6.823 1.00 0.00 O ATOM 676 CB VAL A 500 1.089 -7.541 9.116 1.00 0.00 C ATOM 677 CG1 VAL A 500 2.275 -8.402 9.539 1.00 0.00 C ATOM 678 CG2 VAL A 500 1.506 -6.519 8.071 1.00 0.00 C ATOM 0 H VAL A 500 -0.714 -8.318 10.582 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.620 -7.843 7.827 1.00 0.00 H new ATOM 0 HB VAL A 500 0.742 -7.010 10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 500 3.080 -7.761 9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 500 1.967 -9.080 10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 500 2.627 -8.981 8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.334 -5.923 8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.821 -7.034 7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 500 0.663 -5.866 7.844 1.00 0.00 H new ATOM 688 N TYR A 501 0.423 -10.736 8.759 1.00 0.00 N ATOM 689 CA TYR A 501 0.929 -12.033 8.357 1.00 0.00 C ATOM 690 C TYR A 501 0.070 -12.773 7.314 1.00 0.00 C ATOM 691 O TYR A 501 0.590 -13.620 6.595 1.00 0.00 O ATOM 692 CB TYR A 501 1.123 -12.917 9.595 1.00 0.00 C ATOM 693 CG TYR A 501 0.068 -13.987 9.755 1.00 0.00 C ATOM 694 CD1 TYR A 501 -1.099 -13.738 10.461 1.00 0.00 C ATOM 695 CD2 TYR A 501 0.239 -15.241 9.188 1.00 0.00 C ATOM 696 CE1 TYR A 501 -2.069 -14.710 10.600 1.00 0.00 C ATOM 697 CE2 TYR A 501 -0.724 -16.220 9.321 1.00 0.00 C ATOM 698 CZ TYR A 501 -1.877 -15.951 10.027 1.00 0.00 C ATOM 699 OH TYR A 501 -2.841 -16.924 10.162 1.00 0.00 O ATOM 0 H TYR A 501 0.052 -10.716 9.709 1.00 0.00 H new ATOM 0 HA TYR A 501 1.879 -11.836 7.861 1.00 0.00 H new ATOM 0 HB2 TYR A 501 2.103 -13.392 9.540 1.00 0.00 H new ATOM 0 HB3 TYR A 501 1.124 -12.286 10.484 1.00 0.00 H new ATOM 0 HD1 TYR A 501 -1.252 -12.767 10.910 1.00 0.00 H new ATOM 0 HD2 TYR A 501 1.141 -15.455 8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 501 -2.972 -14.501 11.154 1.00 0.00 H new ATOM 0 HE2 TYR A 501 -0.575 -17.192 8.874 1.00 0.00 H new ATOM 0 HH TYR A 501 -3.636 -16.671 9.648 1.00 0.00 H new ATOM 709 N ASP A 502 -1.246 -12.561 7.296 1.00 0.00 N ATOM 710 CA ASP A 502 -2.099 -13.345 6.385 1.00 0.00 C ATOM 711 C ASP A 502 -2.043 -12.948 4.893 1.00 0.00 C ATOM 712 O ASP A 502 -1.839 -13.818 4.047 1.00 0.00 O ATOM 713 CB ASP A 502 -3.550 -13.271 6.862 1.00 0.00 C ATOM 714 CG ASP A 502 -3.718 -13.773 8.283 1.00 0.00 C ATOM 715 OD1 ASP A 502 -3.918 -14.993 8.462 1.00 0.00 O ATOM 716 OD2 ASP A 502 -3.650 -12.946 9.217 1.00 0.00 O ATOM 0 H ASP A 502 -1.737 -11.881 7.876 1.00 0.00 H new ATOM 0 HA ASP A 502 -1.696 -14.357 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -3.898 -12.240 6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -4.179 -13.860 6.195 1.00 0.00 H new ATOM 721 N LYS A 503 -2.216 -11.669 4.549 1.00 0.00 N ATOM 722 CA LYS A 503 -2.170 -11.258 3.150 1.00 0.00 C ATOM 723 C LYS A 503 -1.077 -10.228 2.905 1.00 0.00 C ATOM 724 O LYS A 503 -0.918 -9.280 3.668 1.00 0.00 O ATOM 725 CB LYS A 503 -3.530 -10.726 2.691 1.00 0.00 C ATOM 726 CG LYS A 503 -4.284 -11.689 1.787 1.00 0.00 C ATOM 727 CD LYS A 503 -5.775 -11.394 1.781 1.00 0.00 C ATOM 728 CE LYS A 503 -6.595 -12.672 1.736 1.00 0.00 C ATOM 729 NZ LYS A 503 -7.954 -12.441 1.173 1.00 0.00 N ATOM 0 H LYS A 503 -2.387 -10.913 5.212 1.00 0.00 H new ATOM 0 HA LYS A 503 -1.930 -12.141 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 503 -4.141 -10.509 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 503 -3.383 -9.784 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 503 -3.894 -11.618 0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 503 -4.116 -12.712 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 503 -6.038 -10.823 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 503 -6.021 -10.772 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 503 -6.074 -13.416 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 503 -6.684 -13.082 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 503 -8.481 -13.337 1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 503 -8.461 -11.750 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 503 -7.870 -12.074 0.203 1.00 0.00 H new ATOM 743 N THR A 504 -0.318 -10.420 1.850 1.00 0.00 N ATOM 744 CA THR A 504 0.758 -9.488 1.526 1.00 0.00 C ATOM 745 C THR A 504 0.238 -8.146 0.976 1.00 0.00 C ATOM 746 O THR A 504 0.236 -7.136 1.679 1.00 0.00 O ATOM 747 CB THR A 504 1.683 -10.125 0.496 1.00 0.00 C ATOM 748 OG1 THR A 504 1.923 -11.485 0.808 1.00 0.00 O ATOM 749 CG2 THR A 504 3.025 -9.434 0.382 1.00 0.00 C ATOM 0 H THR A 504 -0.417 -11.202 1.203 1.00 0.00 H new ATOM 0 HA THR A 504 1.292 -9.276 2.452 1.00 0.00 H new ATOM 0 HB THR A 504 1.162 -10.025 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 504 1.436 -12.056 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 504 3.632 -9.940 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 504 2.875 -8.395 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 504 3.535 -9.469 1.345 1.00 0.00 H new ATOM 757 N PHE A 505 -0.187 -8.148 -0.293 1.00 0.00 N ATOM 758 CA PHE A 505 -0.697 -6.942 -0.959 1.00 0.00 C ATOM 759 C PHE A 505 -2.109 -6.535 -0.529 1.00 0.00 C ATOM 760 O PHE A 505 -2.346 -5.405 -0.103 1.00 0.00 O ATOM 761 CB PHE A 505 -0.641 -7.091 -2.487 1.00 0.00 C ATOM 762 CG PHE A 505 -1.103 -8.424 -2.996 1.00 0.00 C ATOM 763 CD1 PHE A 505 -2.441 -8.655 -3.264 1.00 0.00 C ATOM 764 CD2 PHE A 505 -0.194 -9.444 -3.214 1.00 0.00 C ATOM 765 CE1 PHE A 505 -2.867 -9.880 -3.737 1.00 0.00 C ATOM 766 CE2 PHE A 505 -0.612 -10.669 -3.687 1.00 0.00 C ATOM 767 CZ PHE A 505 -1.952 -10.888 -3.949 1.00 0.00 C ATOM 0 H PHE A 505 -0.188 -8.979 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 505 -0.034 -6.139 -0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 505 -1.254 -6.311 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 505 0.384 -6.924 -2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 505 -3.161 -7.867 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 505 0.854 -9.278 -3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 505 -3.914 -10.048 -3.940 1.00 0.00 H new ATOM 0 HE2 PHE A 505 0.107 -11.458 -3.853 1.00 0.00 H new ATOM 0 HZ PHE A 505 -2.281 -11.848 -4.319 1.00 0.00 H new ATOM 777 N SER A 506 -3.050 -7.451 -0.738 1.00 0.00 N ATOM 778 CA SER A 506 -4.464 -7.219 -0.484 1.00 0.00 C ATOM 779 C SER A 506 -4.785 -6.628 0.881 1.00 0.00 C ATOM 780 O SER A 506 -5.192 -5.472 0.982 1.00 0.00 O ATOM 781 CB SER A 506 -5.223 -8.537 -0.640 1.00 0.00 C ATOM 782 OG SER A 506 -6.606 -8.312 -0.845 1.00 0.00 O ATOM 0 H SER A 506 -2.847 -8.386 -1.093 1.00 0.00 H new ATOM 0 HA SER A 506 -4.775 -6.473 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 506 -4.815 -9.097 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 506 -5.080 -9.149 0.250 1.00 0.00 H new ATOM 0 HG SER A 506 -6.757 -8.019 -1.768 1.00 0.00 H new ATOM 788 N LYS A 507 -4.655 -7.427 1.922 1.00 0.00 N ATOM 789 CA LYS A 507 -5.017 -6.977 3.259 1.00 0.00 C ATOM 790 C LYS A 507 -4.418 -5.626 3.597 1.00 0.00 C ATOM 791 O LYS A 507 -5.121 -4.732 4.074 1.00 0.00 O ATOM 792 CB LYS A 507 -4.590 -7.993 4.301 1.00 0.00 C ATOM 793 CG LYS A 507 -3.113 -8.315 4.254 1.00 0.00 C ATOM 794 CD LYS A 507 -2.315 -7.445 5.201 1.00 0.00 C ATOM 795 CE LYS A 507 -2.655 -7.762 6.641 1.00 0.00 C ATOM 796 NZ LYS A 507 -2.534 -6.567 7.520 1.00 0.00 N ATOM 0 H LYS A 507 -4.305 -8.384 1.873 1.00 0.00 H new ATOM 0 HA LYS A 507 -6.102 -6.874 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 507 -4.841 -7.614 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 507 -5.160 -8.911 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 507 -2.962 -9.364 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 507 -2.744 -8.179 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 507 -1.249 -7.599 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 507 -2.521 -6.394 4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 507 -3.672 -8.151 6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -1.993 -8.548 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -2.841 -6.812 8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 507 -1.543 -6.251 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 507 -3.133 -5.802 7.150 1.00 0.00 H new ATOM 810 N VAL A 508 -3.133 -5.479 3.365 1.00 0.00 N ATOM 811 CA VAL A 508 -2.453 -4.236 3.669 1.00 0.00 C ATOM 812 C VAL A 508 -3.132 -3.029 3.034 1.00 0.00 C ATOM 813 O VAL A 508 -3.541 -2.100 3.730 1.00 0.00 O ATOM 814 CB VAL A 508 -0.989 -4.284 3.208 1.00 0.00 C ATOM 815 CG1 VAL A 508 -0.270 -2.997 3.583 1.00 0.00 C ATOM 816 CG2 VAL A 508 -0.292 -5.494 3.805 1.00 0.00 C ATOM 0 H VAL A 508 -2.536 -6.204 2.967 1.00 0.00 H new ATOM 0 HA VAL A 508 -2.498 -4.123 4.752 1.00 0.00 H new ATOM 0 HB VAL A 508 -0.964 -4.377 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 508 0.766 -3.048 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 508 -0.764 -2.151 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 508 -0.296 -2.868 4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 508 0.745 -5.518 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 508 -0.322 -5.431 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 508 -0.799 -6.403 3.480 1.00 0.00 H new ATOM 826 N LEU A 509 -3.223 -3.030 1.720 1.00 0.00 N ATOM 827 CA LEU A 509 -3.803 -1.908 0.997 1.00 0.00 C ATOM 828 C LEU A 509 -5.266 -1.593 1.335 1.00 0.00 C ATOM 829 O LEU A 509 -5.570 -0.482 1.772 1.00 0.00 O ATOM 830 CB LEU A 509 -3.643 -2.119 -0.516 1.00 0.00 C ATOM 831 CG LEU A 509 -4.579 -3.145 -1.150 1.00 0.00 C ATOM 832 CD1 LEU A 509 -5.849 -2.473 -1.635 1.00 0.00 C ATOM 833 CD2 LEU A 509 -3.882 -3.867 -2.292 1.00 0.00 C ATOM 0 H LEU A 509 -2.903 -3.795 1.126 1.00 0.00 H new ATOM 0 HA LEU A 509 -3.243 -1.034 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -3.794 -1.162 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -2.615 -2.423 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 509 -4.849 -3.883 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -6.506 -3.218 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -6.356 -2.003 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -5.599 -1.715 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -4.564 -4.595 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -3.583 -3.144 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -2.999 -4.381 -1.912 1.00 0.00 H new ATOM 845 N TRP A 510 -6.179 -2.519 1.071 1.00 0.00 N ATOM 846 CA TRP A 510 -7.599 -2.256 1.290 1.00 0.00 C ATOM 847 C TRP A 510 -8.020 -2.223 2.750 1.00 0.00 C ATOM 848 O TRP A 510 -8.666 -1.282 3.210 1.00 0.00 O ATOM 849 CB TRP A 510 -8.461 -3.267 0.520 1.00 0.00 C ATOM 850 CG TRP A 510 -8.270 -4.690 0.944 1.00 0.00 C ATOM 851 CD1 TRP A 510 -7.467 -5.618 0.351 1.00 0.00 C ATOM 852 CD2 TRP A 510 -8.916 -5.356 2.037 1.00 0.00 C ATOM 853 NE1 TRP A 510 -7.555 -6.815 1.021 1.00 0.00 N ATOM 854 CE2 TRP A 510 -8.440 -6.680 2.057 1.00 0.00 C ATOM 855 CE3 TRP A 510 -9.844 -4.961 3.005 1.00 0.00 C ATOM 856 CZ2 TRP A 510 -8.862 -7.610 3.005 1.00 0.00 C ATOM 857 CZ3 TRP A 510 -10.263 -5.884 3.944 1.00 0.00 C ATOM 858 CH2 TRP A 510 -9.771 -7.194 3.939 1.00 0.00 C ATOM 0 H TRP A 510 -5.967 -3.449 0.709 1.00 0.00 H new ATOM 0 HA TRP A 510 -7.764 -1.248 0.908 1.00 0.00 H new ATOM 0 HB2 TRP A 510 -9.511 -3.001 0.645 1.00 0.00 H new ATOM 0 HB3 TRP A 510 -8.235 -3.184 -0.543 1.00 0.00 H new ATOM 0 HD1 TRP A 510 -6.852 -5.439 -0.518 1.00 0.00 H new ATOM 0 HE1 TRP A 510 -7.044 -7.666 0.785 1.00 0.00 H new ATOM 0 HE3 TRP A 510 -10.227 -3.951 3.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 510 -8.485 -8.622 3.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 510 -10.982 -5.590 4.694 1.00 0.00 H new ATOM 0 HH2 TRP A 510 -10.116 -7.891 4.688 1.00 0.00 H new ATOM 869 N SER A 511 -7.694 -3.274 3.452 1.00 0.00 N ATOM 870 CA SER A 511 -8.071 -3.427 4.838 1.00 0.00 C ATOM 871 C SER A 511 -7.418 -2.408 5.740 1.00 0.00 C ATOM 872 O SER A 511 -8.058 -1.844 6.628 1.00 0.00 O ATOM 873 CB SER A 511 -7.726 -4.836 5.320 1.00 0.00 C ATOM 874 OG SER A 511 -8.575 -5.232 6.384 1.00 0.00 O ATOM 0 H SER A 511 -7.156 -4.056 3.079 1.00 0.00 H new ATOM 0 HA SER A 511 -9.147 -3.262 4.893 1.00 0.00 H new ATOM 0 HB2 SER A 511 -7.821 -5.540 4.493 1.00 0.00 H new ATOM 0 HB3 SER A 511 -6.687 -4.868 5.648 1.00 0.00 H new ATOM 0 HG SER A 511 -9.402 -5.610 6.019 1.00 0.00 H new ATOM 880 N ALA A 512 -6.123 -2.253 5.576 1.00 0.00 N ATOM 881 CA ALA A 512 -5.366 -1.395 6.445 1.00 0.00 C ATOM 882 C ALA A 512 -5.573 0.104 6.294 1.00 0.00 C ATOM 883 O ALA A 512 -6.077 0.752 7.212 1.00 0.00 O ATOM 884 CB ALA A 512 -3.886 -1.715 6.322 1.00 0.00 C ATOM 0 H ALA A 512 -5.577 -2.712 4.847 1.00 0.00 H new ATOM 0 HA ALA A 512 -5.759 -1.620 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 512 -3.316 -1.062 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 512 -3.714 -2.754 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 512 -3.564 -1.559 5.292 1.00 0.00 H new ATOM 890 N GLY A 513 -5.061 0.679 5.213 1.00 0.00 N ATOM 891 CA GLY A 513 -5.094 2.122 5.111 1.00 0.00 C ATOM 892 C GLY A 513 -5.913 2.815 4.053 1.00 0.00 C ATOM 893 O GLY A 513 -6.305 3.964 4.262 1.00 0.00 O ATOM 0 H GLY A 513 -4.635 0.188 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 513 -5.435 2.501 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 513 -4.064 2.455 4.984 1.00 0.00 H new ATOM 897 N LEU A 514 -6.031 2.249 2.867 1.00 0.00 N ATOM 898 CA LEU A 514 -6.640 3.034 1.797 1.00 0.00 C ATOM 899 C LEU A 514 -8.042 2.698 1.327 1.00 0.00 C ATOM 900 O LEU A 514 -8.797 3.630 1.043 1.00 0.00 O ATOM 901 CB LEU A 514 -5.708 3.024 0.579 1.00 0.00 C ATOM 902 CG LEU A 514 -4.957 4.335 0.296 1.00 0.00 C ATOM 903 CD1 LEU A 514 -4.523 4.395 -1.158 1.00 0.00 C ATOM 904 CD2 LEU A 514 -5.806 5.549 0.648 1.00 0.00 C ATOM 0 H LEU A 514 -5.734 1.304 2.622 1.00 0.00 H new ATOM 0 HA LEU A 514 -6.767 4.008 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 514 -4.974 2.230 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 514 -6.296 2.768 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 514 -4.070 4.354 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 514 -3.993 5.330 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 514 -3.863 3.555 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 514 -5.401 4.344 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -5.245 6.459 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -6.720 5.539 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -6.062 5.519 1.707 1.00 0.00 H new ATOM 916 N VAL A 515 -8.388 1.445 1.081 1.00 0.00 N ATOM 917 CA VAL A 515 -9.689 1.254 0.460 1.00 0.00 C ATOM 918 C VAL A 515 -10.400 -0.092 0.692 1.00 0.00 C ATOM 919 O VAL A 515 -9.853 -1.041 1.229 1.00 0.00 O ATOM 920 CB VAL A 515 -9.481 1.547 -1.047 1.00 0.00 C ATOM 921 CG1 VAL A 515 -8.348 0.702 -1.604 1.00 0.00 C ATOM 922 CG2 VAL A 515 -10.748 1.389 -1.876 1.00 0.00 C ATOM 0 H VAL A 515 -7.840 0.608 1.281 1.00 0.00 H new ATOM 0 HA VAL A 515 -10.387 1.935 0.946 1.00 0.00 H new ATOM 0 HB VAL A 515 -9.207 2.599 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -8.217 0.922 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -7.426 0.931 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -8.587 -0.354 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -10.529 1.609 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -11.114 0.366 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -11.510 2.078 -1.512 1.00 0.00 H new ATOM 932 N ALA A 516 -11.642 -0.124 0.209 1.00 0.00 N ATOM 933 CA ALA A 516 -12.548 -1.263 0.224 1.00 0.00 C ATOM 934 C ALA A 516 -12.028 -2.358 -0.702 1.00 0.00 C ATOM 935 O ALA A 516 -12.725 -3.323 -1.011 1.00 0.00 O ATOM 936 CB ALA A 516 -13.955 -0.840 -0.172 1.00 0.00 C ATOM 0 H ALA A 516 -12.064 0.695 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 516 -12.593 -1.659 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -14.614 -1.708 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -14.321 -0.091 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -13.939 -0.418 -1.177 1.00 0.00 H new ATOM 942 N SER A 517 -10.852 -2.095 -1.253 1.00 0.00 N ATOM 943 CA SER A 517 -10.227 -2.883 -2.274 1.00 0.00 C ATOM 944 C SER A 517 -9.980 -4.347 -1.930 1.00 0.00 C ATOM 945 O SER A 517 -9.359 -5.041 -2.730 1.00 0.00 O ATOM 946 CB SER A 517 -8.893 -2.222 -2.625 1.00 0.00 C ATOM 947 OG SER A 517 -8.979 -1.488 -3.831 1.00 0.00 O ATOM 0 H SER A 517 -10.292 -1.287 -0.979 1.00 0.00 H new ATOM 0 HA SER A 517 -10.930 -2.908 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 517 -8.590 -1.558 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 517 -8.121 -2.986 -2.717 1.00 0.00 H new ATOM 0 HG SER A 517 -8.168 -0.950 -3.945 1.00 0.00 H new ATOM 953 N LYS A 518 -10.491 -4.882 -0.824 1.00 0.00 N ATOM 954 CA LYS A 518 -10.294 -6.312 -0.626 1.00 0.00 C ATOM 955 C LYS A 518 -10.628 -6.929 -1.983 1.00 0.00 C ATOM 956 O LYS A 518 -9.820 -7.640 -2.580 1.00 0.00 O ATOM 957 CB LYS A 518 -11.223 -6.870 0.463 1.00 0.00 C ATOM 958 CG LYS A 518 -12.646 -6.337 0.397 1.00 0.00 C ATOM 959 CD LYS A 518 -13.583 -7.326 -0.279 1.00 0.00 C ATOM 960 CE LYS A 518 -14.771 -6.623 -0.914 1.00 0.00 C ATOM 961 NZ LYS A 518 -15.853 -6.357 0.073 1.00 0.00 N ATOM 0 H LYS A 518 -11.009 -4.388 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 518 -9.281 -6.538 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 518 -11.249 -7.957 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 518 -10.803 -6.634 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 518 -13.004 -6.127 1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 518 -12.657 -5.393 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 518 -13.038 -7.882 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 518 -13.937 -8.052 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 518 -14.442 -5.682 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 518 -15.163 -7.235 -1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 -16.644 -5.877 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 -16.185 -7.257 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 -15.487 -5.751 0.835 1.00 0.00 H new ATOM 975 N SER A 519 -11.784 -6.530 -2.507 1.00 0.00 N ATOM 976 CA SER A 519 -12.205 -6.900 -3.851 1.00 0.00 C ATOM 977 C SER A 519 -11.418 -6.084 -4.900 1.00 0.00 C ATOM 978 O SER A 519 -10.761 -6.636 -5.795 1.00 0.00 O ATOM 979 CB SER A 519 -13.707 -6.666 -4.023 1.00 0.00 C ATOM 980 OG SER A 519 -14.086 -5.392 -3.531 1.00 0.00 O ATOM 0 H SER A 519 -12.453 -5.942 -2.011 1.00 0.00 H new ATOM 0 HA SER A 519 -11.997 -7.960 -4.000 1.00 0.00 H new ATOM 0 HB2 SER A 519 -13.972 -6.745 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 519 -14.262 -7.442 -3.496 1.00 0.00 H new ATOM 0 HG SER A 519 -14.015 -4.730 -4.250 1.00 0.00 H new ATOM 986 N GLU A 520 -11.515 -4.742 -4.776 1.00 0.00 N ATOM 987 CA GLU A 520 -10.853 -3.818 -5.699 1.00 0.00 C ATOM 988 C GLU A 520 -9.346 -4.031 -5.737 1.00 0.00 C ATOM 989 O GLU A 520 -8.739 -4.102 -6.805 1.00 0.00 O ATOM 990 CB GLU A 520 -11.182 -2.362 -5.347 1.00 0.00 C ATOM 991 CG GLU A 520 -12.258 -1.746 -6.225 1.00 0.00 C ATOM 992 CD GLU A 520 -13.488 -2.624 -6.350 1.00 0.00 C ATOM 993 OE1 GLU A 520 -13.998 -3.084 -5.307 1.00 0.00 O ATOM 994 OE2 GLU A 520 -13.940 -2.853 -7.492 1.00 0.00 O ATOM 0 H GLU A 520 -12.050 -4.281 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 520 -11.239 -4.031 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 520 -11.504 -2.313 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 520 -10.274 -1.764 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 520 -12.548 -0.779 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 520 -11.848 -1.559 -7.218 1.00 0.00 H new ATOM 1001 N GLY A 521 -8.757 -4.125 -4.560 1.00 0.00 N ATOM 1002 CA GLY A 521 -7.331 -4.321 -4.422 1.00 0.00 C ATOM 1003 C GLY A 521 -6.852 -5.438 -5.287 1.00 0.00 C ATOM 1004 O GLY A 521 -5.987 -5.237 -6.128 1.00 0.00 O ATOM 0 H GLY A 521 -9.257 -4.067 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 521 -6.808 -3.402 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 521 -7.090 -4.535 -3.381 1.00 0.00 H new ATOM 1008 N GLN A 522 -7.440 -6.613 -5.114 1.00 0.00 N ATOM 1009 CA GLN A 522 -7.081 -7.763 -5.922 1.00 0.00 C ATOM 1010 C GLN A 522 -7.054 -7.351 -7.393 1.00 0.00 C ATOM 1011 O GLN A 522 -6.097 -7.637 -8.108 1.00 0.00 O ATOM 1012 CB GLN A 522 -8.083 -8.901 -5.707 1.00 0.00 C ATOM 1013 CG GLN A 522 -7.517 -10.075 -4.926 1.00 0.00 C ATOM 1014 CD GLN A 522 -6.947 -9.665 -3.582 1.00 0.00 C ATOM 1015 OE1 GLN A 522 -6.738 -8.481 -3.317 1.00 0.00 O ATOM 1016 NE2 GLN A 522 -6.694 -10.647 -2.724 1.00 0.00 N ATOM 0 H GLN A 522 -8.167 -6.792 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 522 -6.094 -8.119 -5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 522 -8.954 -8.511 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 522 -8.430 -9.255 -6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 522 -8.302 -10.816 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 522 -6.736 -10.555 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 522 -6.883 -11.615 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 522 -6.311 -10.434 -1.803 1.00 0.00 H new ATOM 1025 N ARG A 523 -8.101 -6.652 -7.825 1.00 0.00 N ATOM 1026 CA ARG A 523 -8.185 -6.169 -9.202 1.00 0.00 C ATOM 1027 C ARG A 523 -6.904 -5.432 -9.598 1.00 0.00 C ATOM 1028 O ARG A 523 -6.327 -5.701 -10.647 1.00 0.00 O ATOM 1029 CB ARG A 523 -9.392 -5.247 -9.370 1.00 0.00 C ATOM 1030 CG ARG A 523 -10.057 -5.364 -10.731 1.00 0.00 C ATOM 1031 CD ARG A 523 -10.547 -4.015 -11.233 1.00 0.00 C ATOM 1032 NE ARG A 523 -12.005 -3.956 -11.310 1.00 0.00 N ATOM 1033 CZ ARG A 523 -12.689 -2.847 -11.580 1.00 0.00 C ATOM 1034 NH1 ARG A 523 -12.052 -1.703 -11.798 1.00 0.00 N ATOM 1035 NH2 ARG A 523 -14.014 -2.881 -11.631 1.00 0.00 N ATOM 0 H ARG A 523 -8.902 -6.407 -7.243 1.00 0.00 H new ATOM 0 HA ARG A 523 -8.305 -7.032 -9.857 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -10.124 -5.475 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 523 -9.076 -4.215 -9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 523 -9.350 -5.784 -11.447 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -10.897 -6.056 -10.668 1.00 0.00 H new ATOM 0 HD2 ARG A 523 -10.187 -3.229 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 523 -10.124 -3.819 -12.218 1.00 0.00 H new ATOM 0 HE ARG A 523 -12.529 -4.816 -11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 523 -11.033 -1.671 -11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 523 -12.581 -0.856 -12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -14.509 -3.757 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -14.538 -2.031 -11.838 1.00 0.00 H new ATOM 1049 N ILE A 524 -6.462 -4.508 -8.749 1.00 0.00 N ATOM 1050 CA ILE A 524 -5.239 -3.747 -9.010 1.00 0.00 C ATOM 1051 C ILE A 524 -4.073 -4.702 -9.188 1.00 0.00 C ATOM 1052 O ILE A 524 -3.398 -4.710 -10.217 1.00 0.00 O ATOM 1053 CB ILE A 524 -4.894 -2.767 -7.865 1.00 0.00 C ATOM 1054 CG1 ILE A 524 -6.161 -2.234 -7.182 1.00 0.00 C ATOM 1055 CG2 ILE A 524 -4.049 -1.624 -8.407 1.00 0.00 C ATOM 1056 CD1 ILE A 524 -5.887 -1.203 -6.106 1.00 0.00 C ATOM 0 H ILE A 524 -6.930 -4.267 -7.875 1.00 0.00 H new ATOM 0 HA ILE A 524 -5.415 -3.165 -9.915 1.00 0.00 H new ATOM 0 HB ILE A 524 -4.322 -3.306 -7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 524 -6.812 -1.793 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 524 -6.704 -3.070 -6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 524 -3.807 -0.935 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 524 -3.128 -2.022 -8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 524 -4.606 -1.095 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 524 -6.830 -0.873 -5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 524 -5.262 -1.645 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 524 -5.372 -0.348 -6.544 1.00 0.00 H new ATOM 1068 N ILE A 525 -3.878 -5.533 -8.181 1.00 0.00 N ATOM 1069 CA ILE A 525 -2.837 -6.539 -8.194 1.00 0.00 C ATOM 1070 C ILE A 525 -2.943 -7.309 -9.505 1.00 0.00 C ATOM 1071 O ILE A 525 -1.964 -7.496 -10.227 1.00 0.00 O ATOM 1072 CB ILE A 525 -2.962 -7.525 -7.006 1.00 0.00 C ATOM 1073 CG1 ILE A 525 -3.714 -6.904 -5.828 1.00 0.00 C ATOM 1074 CG2 ILE A 525 -1.589 -7.977 -6.553 1.00 0.00 C ATOM 1075 CD1 ILE A 525 -3.157 -5.569 -5.384 1.00 0.00 C ATOM 0 H ILE A 525 -4.440 -5.528 -7.330 1.00 0.00 H new ATOM 0 HA ILE A 525 -1.871 -6.042 -8.100 1.00 0.00 H new ATOM 0 HB ILE A 525 -3.534 -8.385 -7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 525 -4.761 -6.777 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 525 -3.688 -7.596 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 525 -1.691 -8.670 -5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 525 -1.080 -8.476 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 525 -1.007 -7.111 -6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -3.742 -5.192 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -2.119 -5.692 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -3.209 -4.860 -6.210 1.00 0.00 H new ATOM 1087 N ASN A 526 -4.179 -7.703 -9.813 1.00 0.00 N ATOM 1088 CA ASN A 526 -4.500 -8.407 -11.053 1.00 0.00 C ATOM 1089 C ASN A 526 -4.049 -7.552 -12.215 1.00 0.00 C ATOM 1090 O ASN A 526 -3.342 -8.002 -13.117 1.00 0.00 O ATOM 1091 CB ASN A 526 -5.999 -8.660 -11.144 1.00 0.00 C ATOM 1092 CG ASN A 526 -6.360 -9.598 -12.276 1.00 0.00 C ATOM 1093 OD1 ASN A 526 -6.307 -9.087 -13.500 1.00 0.00 O flip ATOM 1094 ND2 ASN A 526 -6.683 -10.764 -12.055 1.00 0.00 N flip ATOM 0 H ASN A 526 -4.985 -7.543 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 526 -3.990 -9.370 -11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 526 -6.351 -9.080 -10.202 1.00 0.00 H new ATOM 0 HB3 ASN A 526 -6.517 -7.711 -11.283 1.00 0.00 H new ATOM 0 HD21 ASN A 526 -6.710 -11.113 -11.097 1.00 0.00 H new ATOM 0 HD22 ASN A 526 -6.924 -11.382 -12.830 1.00 0.00 H new ATOM 1101 N ASN A 527 -4.426 -6.284 -12.132 1.00 0.00 N ATOM 1102 CA ASN A 527 -4.035 -5.283 -13.110 1.00 0.00 C ATOM 1103 C ASN A 527 -2.535 -5.418 -13.328 1.00 0.00 C ATOM 1104 O ASN A 527 -2.033 -5.308 -14.446 1.00 0.00 O ATOM 1105 CB ASN A 527 -4.434 -3.874 -12.641 1.00 0.00 C ATOM 1106 CG ASN A 527 -3.262 -2.921 -12.508 1.00 0.00 C ATOM 1107 OD1 ASN A 527 -2.997 -2.491 -11.284 1.00 0.00 O flip ATOM 1108 ND2 ASN A 527 -2.606 -2.577 -13.492 1.00 0.00 N flip ATOM 0 H ASN A 527 -5.014 -5.921 -11.381 1.00 0.00 H new ATOM 0 HA ASN A 527 -4.553 -5.440 -14.056 1.00 0.00 H new ATOM 0 HB2 ASN A 527 -5.153 -3.456 -13.346 1.00 0.00 H new ATOM 0 HB3 ASN A 527 -4.940 -3.951 -11.678 1.00 0.00 H new ATOM 0 HD21 ASN A 527 -2.847 -2.935 -14.416 1.00 0.00 H new ATOM 0 HD22 ASN A 527 -1.821 -1.935 -13.383 1.00 0.00 H new ATOM 1115 N ASN A 528 -1.833 -5.651 -12.223 1.00 0.00 N ATOM 1116 CA ASN A 528 -0.388 -5.798 -12.229 1.00 0.00 C ATOM 1117 C ASN A 528 0.303 -4.471 -12.430 1.00 0.00 C ATOM 1118 O ASN A 528 1.320 -4.370 -13.117 1.00 0.00 O ATOM 1119 CB ASN A 528 0.048 -6.790 -13.312 1.00 0.00 C ATOM 1120 CG ASN A 528 1.372 -7.454 -12.991 1.00 0.00 C ATOM 1121 OD1 ASN A 528 1.411 -8.565 -12.464 1.00 0.00 O ATOM 1122 ND2 ASN A 528 2.468 -6.774 -13.308 1.00 0.00 N ATOM 0 H ASN A 528 -2.254 -5.743 -11.299 1.00 0.00 H new ATOM 0 HA ASN A 528 -0.093 -6.186 -11.254 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -0.719 -7.555 -13.430 1.00 0.00 H new ATOM 0 HB3 ASN A 528 0.128 -6.269 -14.266 1.00 0.00 H new ATOM 0 HD21 ASN A 528 3.388 -7.171 -13.115 1.00 0.00 H new ATOM 0 HD22 ASN A 528 2.390 -5.855 -13.744 1.00 0.00 H new ATOM 1129 N GLY A 529 -0.252 -3.460 -11.783 1.00 0.00 N ATOM 1130 CA GLY A 529 0.324 -2.133 -11.847 1.00 0.00 C ATOM 1131 C GLY A 529 0.859 -1.688 -10.498 1.00 0.00 C ATOM 1132 O GLY A 529 0.997 -0.492 -10.243 1.00 0.00 O ATOM 0 H GLY A 529 -1.094 -3.534 -11.212 1.00 0.00 H new ATOM 0 HA2 GLY A 529 1.130 -2.121 -12.580 1.00 0.00 H new ATOM 0 HA3 GLY A 529 -0.430 -1.425 -12.191 1.00 0.00 H new ATOM 1136 N ALA A 530 1.148 -2.656 -9.623 1.00 0.00 N ATOM 1137 CA ALA A 530 1.653 -2.354 -8.291 1.00 0.00 C ATOM 1138 C ALA A 530 2.856 -3.227 -7.915 1.00 0.00 C ATOM 1139 O ALA A 530 3.090 -4.275 -8.505 1.00 0.00 O ATOM 1140 CB ALA A 530 0.541 -2.531 -7.267 1.00 0.00 C ATOM 0 H ALA A 530 1.039 -3.651 -9.818 1.00 0.00 H new ATOM 0 HA ALA A 530 1.993 -1.318 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 530 0.923 -2.304 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 530 -0.281 -1.856 -7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 530 0.184 -3.560 -7.292 1.00 0.00 H new ATOM 1146 N TYR A 531 3.581 -2.791 -6.894 1.00 0.00 N ATOM 1147 CA TYR A 531 4.730 -3.513 -6.358 1.00 0.00 C ATOM 1148 C TYR A 531 4.616 -3.533 -4.836 1.00 0.00 C ATOM 1149 O TYR A 531 3.866 -2.738 -4.259 1.00 0.00 O ATOM 1150 CB TYR A 531 6.059 -2.873 -6.803 1.00 0.00 C ATOM 1151 CG TYR A 531 6.871 -2.254 -5.676 1.00 0.00 C ATOM 1152 CD1 TYR A 531 6.405 -1.131 -5.006 1.00 0.00 C ATOM 1153 CD2 TYR A 531 8.103 -2.781 -5.290 1.00 0.00 C ATOM 1154 CE1 TYR A 531 7.132 -0.551 -3.985 1.00 0.00 C ATOM 1155 CE2 TYR A 531 8.835 -2.201 -4.270 1.00 0.00 C ATOM 1156 CZ TYR A 531 8.346 -1.089 -3.623 1.00 0.00 C ATOM 1157 OH TYR A 531 9.075 -0.512 -2.607 1.00 0.00 O ATOM 0 H TYR A 531 3.387 -1.916 -6.408 1.00 0.00 H new ATOM 0 HA TYR A 531 4.730 -4.532 -6.745 1.00 0.00 H new ATOM 0 HB2 TYR A 531 6.666 -3.632 -7.296 1.00 0.00 H new ATOM 0 HB3 TYR A 531 5.846 -2.104 -7.545 1.00 0.00 H new ATOM 0 HD1 TYR A 531 5.455 -0.702 -5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 531 8.491 -3.654 -5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 531 6.750 0.320 -3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 531 9.788 -2.620 -3.982 1.00 0.00 H new ATOM 0 HH TYR A 531 9.907 -1.014 -2.475 1.00 0.00 H new ATOM 1167 N VAL A 532 5.352 -4.424 -4.179 1.00 0.00 N ATOM 1168 CA VAL A 532 5.288 -4.486 -2.725 1.00 0.00 C ATOM 1169 C VAL A 532 6.681 -4.507 -2.094 1.00 0.00 C ATOM 1170 O VAL A 532 7.598 -5.210 -2.543 1.00 0.00 O ATOM 1171 CB VAL A 532 4.423 -5.693 -2.268 1.00 0.00 C ATOM 1172 CG1 VAL A 532 5.026 -6.418 -1.066 1.00 0.00 C ATOM 1173 CG2 VAL A 532 3.011 -5.226 -1.941 1.00 0.00 C ATOM 0 H VAL A 532 5.983 -5.096 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 532 4.804 -3.576 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 532 4.395 -6.404 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 532 4.384 -7.253 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 532 6.016 -6.792 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 532 5.108 -5.726 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 532 2.411 -6.078 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 532 3.048 -4.488 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 532 2.562 -4.778 -2.827 1.00 0.00 H new ATOM 1183 N GLY A 533 6.817 -3.698 -1.044 1.00 0.00 N ATOM 1184 CA GLY A 533 8.076 -3.589 -0.345 1.00 0.00 C ATOM 1185 C GLY A 533 7.950 -3.654 1.164 1.00 0.00 C ATOM 1186 O GLY A 533 6.914 -3.302 1.733 1.00 0.00 O ATOM 0 H GLY A 533 6.069 -3.115 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 533 8.736 -4.389 -0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 533 8.552 -2.648 -0.620 1.00 0.00 H new ATOM 1190 N SER A 534 9.026 -4.094 1.807 1.00 0.00 N ATOM 1191 CA SER A 534 9.072 -4.190 3.270 1.00 0.00 C ATOM 1192 C SER A 534 10.370 -3.626 3.823 1.00 0.00 C ATOM 1193 O SER A 534 11.445 -3.914 3.301 1.00 0.00 O ATOM 1194 CB SER A 534 8.952 -5.635 3.724 1.00 0.00 C ATOM 1195 OG SER A 534 7.806 -6.249 3.165 1.00 0.00 O ATOM 0 H SER A 534 9.883 -4.392 1.341 1.00 0.00 H new ATOM 0 HA SER A 534 8.231 -3.609 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 534 9.845 -6.187 3.430 1.00 0.00 H new ATOM 0 HB3 SER A 534 8.896 -5.675 4.812 1.00 0.00 H new ATOM 0 HG SER A 534 7.003 -5.764 3.449 1.00 0.00 H new ATOM 1201 N ARG A 535 10.282 -2.851 4.896 1.00 0.00 N ATOM 1202 CA ARG A 535 11.485 -2.301 5.509 1.00 0.00 C ATOM 1203 C ARG A 535 11.260 -1.848 6.952 1.00 0.00 C ATOM 1204 O ARG A 535 10.917 -0.694 7.200 1.00 0.00 O ATOM 1205 CB ARG A 535 12.041 -1.150 4.670 1.00 0.00 C ATOM 1206 CG ARG A 535 11.093 -0.638 3.595 1.00 0.00 C ATOM 1207 CD ARG A 535 11.328 -1.336 2.267 1.00 0.00 C ATOM 1208 NE ARG A 535 11.527 -0.388 1.172 1.00 0.00 N ATOM 1209 CZ ARG A 535 12.549 0.463 1.102 1.00 0.00 C ATOM 1210 NH1 ARG A 535 13.470 0.487 2.058 1.00 0.00 N ATOM 1211 NH2 ARG A 535 12.651 1.292 0.072 1.00 0.00 N ATOM 0 H ARG A 535 9.408 -2.592 5.353 1.00 0.00 H new ATOM 0 HA ARG A 535 12.217 -3.108 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 535 12.298 -0.324 5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 535 12.966 -1.477 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 535 10.062 -0.795 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 535 11.228 0.437 3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 535 12.201 -1.983 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 535 10.476 -1.977 2.040 1.00 0.00 H new ATOM 0 HE ARG A 535 10.842 -0.378 0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 535 13.397 -0.149 2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 535 14.250 1.141 1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 535 11.947 1.278 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 535 13.433 1.944 0.018 1.00 0.00 H new ATOM 1401 N ASP A 549 14.637 -9.100 3.382 1.00 0.00 N ATOM 1402 CA ASP A 549 13.386 -8.720 4.004 1.00 0.00 C ATOM 1403 C ASP A 549 13.486 -7.272 4.437 1.00 0.00 C ATOM 1404 O ASP A 549 12.479 -6.580 4.587 1.00 0.00 O ATOM 1405 CB ASP A 549 13.084 -9.617 5.208 1.00 0.00 C ATOM 1406 CG ASP A 549 12.983 -11.081 4.827 1.00 0.00 C ATOM 1407 OD1 ASP A 549 12.715 -11.369 3.641 1.00 0.00 O ATOM 1408 OD2 ASP A 549 13.172 -11.939 5.715 1.00 0.00 O ATOM 0 HA ASP A 549 12.571 -8.840 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 549 13.867 -9.492 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 549 12.149 -9.299 5.669 1.00 0.00 H new ATOM 1413 N ASP A 550 14.727 -6.811 4.611 1.00 0.00 N ATOM 1414 CA ASP A 550 14.976 -5.440 4.993 1.00 0.00 C ATOM 1415 C ASP A 550 14.314 -4.527 3.978 1.00 0.00 C ATOM 1416 O ASP A 550 13.685 -3.532 4.321 1.00 0.00 O ATOM 1417 CB ASP A 550 16.479 -5.159 5.063 1.00 0.00 C ATOM 1418 CG ASP A 550 17.241 -5.768 3.901 1.00 0.00 C ATOM 1419 OD1 ASP A 550 17.212 -5.181 2.798 1.00 0.00 O ATOM 1420 OD2 ASP A 550 17.867 -6.832 4.093 1.00 0.00 O ATOM 0 H ASP A 550 15.568 -7.376 4.491 1.00 0.00 H new ATOM 0 HA ASP A 550 14.559 -5.257 5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 550 16.643 -4.082 5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 550 16.875 -5.553 5.999 1.00 0.00 H new ATOM 1425 N LEU A 551 14.440 -4.915 2.718 1.00 0.00 N ATOM 1426 CA LEU A 551 13.834 -4.192 1.616 1.00 0.00 C ATOM 1427 C LEU A 551 13.101 -5.182 0.728 1.00 0.00 C ATOM 1428 O LEU A 551 13.600 -6.275 0.482 1.00 0.00 O ATOM 1429 CB LEU A 551 14.893 -3.456 0.796 1.00 0.00 C ATOM 1430 CG LEU A 551 14.489 -3.148 -0.653 1.00 0.00 C ATOM 1431 CD1 LEU A 551 13.469 -2.021 -0.702 1.00 0.00 C ATOM 1432 CD2 LEU A 551 15.712 -2.803 -1.491 1.00 0.00 C ATOM 0 H LEU A 551 14.966 -5.741 2.433 1.00 0.00 H new ATOM 0 HA LEU A 551 13.140 -3.453 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 551 15.134 -2.519 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 551 15.804 -4.055 0.785 1.00 0.00 H new ATOM 0 HG LEU A 551 14.028 -4.042 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 551 13.198 -1.820 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 551 12.579 -2.311 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 551 13.898 -1.122 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 551 15.403 -2.588 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 551 16.206 -1.928 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 551 16.403 -3.646 -1.490 1.00 0.00 H new ATOM 1444 N THR A 552 11.933 -4.815 0.234 1.00 0.00 N ATOM 1445 CA THR A 552 11.207 -5.720 -0.635 1.00 0.00 C ATOM 1446 C THR A 552 10.671 -5.036 -1.876 1.00 0.00 C ATOM 1447 O THR A 552 10.293 -3.865 -1.866 1.00 0.00 O ATOM 1448 CB THR A 552 10.076 -6.422 0.106 1.00 0.00 C ATOM 1449 OG1 THR A 552 10.265 -6.322 1.500 1.00 0.00 O ATOM 1450 CG2 THR A 552 9.972 -7.890 -0.241 1.00 0.00 C ATOM 0 H THR A 552 11.477 -3.921 0.413 1.00 0.00 H new ATOM 0 HA THR A 552 11.931 -6.468 -0.959 1.00 0.00 H new ATOM 0 HB THR A 552 9.158 -5.923 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 552 11.028 -6.877 1.767 1.00 0.00 H new ATOM 0 HG21 THR A 552 9.149 -8.338 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 552 9.788 -7.999 -1.310 1.00 0.00 H new ATOM 0 HG23 THR A 552 10.903 -8.392 0.020 1.00 0.00 H new ATOM 1458 N PHE A 553 10.593 -5.823 -2.921 1.00 0.00 N ATOM 1459 CA PHE A 553 10.043 -5.412 -4.184 1.00 0.00 C ATOM 1460 C PHE A 553 9.123 -6.522 -4.626 1.00 0.00 C ATOM 1461 O PHE A 553 9.471 -7.690 -4.493 1.00 0.00 O ATOM 1462 CB PHE A 553 11.148 -5.179 -5.218 1.00 0.00 C ATOM 1463 CG PHE A 553 11.532 -3.734 -5.373 1.00 0.00 C ATOM 1464 CD1 PHE A 553 12.500 -3.170 -4.559 1.00 0.00 C ATOM 1465 CD2 PHE A 553 10.925 -2.943 -6.335 1.00 0.00 C ATOM 1466 CE1 PHE A 553 12.856 -1.842 -4.699 1.00 0.00 C ATOM 1467 CE2 PHE A 553 11.276 -1.614 -6.480 1.00 0.00 C ATOM 1468 CZ PHE A 553 12.243 -1.062 -5.662 1.00 0.00 C ATOM 0 H PHE A 553 10.919 -6.790 -2.914 1.00 0.00 H new ATOM 0 HA PHE A 553 9.507 -4.468 -4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 553 12.030 -5.752 -4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 553 10.818 -5.564 -6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 553 12.982 -3.775 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 553 10.170 -3.369 -6.978 1.00 0.00 H new ATOM 0 HE1 PHE A 553 13.612 -1.414 -4.057 1.00 0.00 H new ATOM 0 HE2 PHE A 553 10.794 -1.007 -7.233 1.00 0.00 H new ATOM 0 HZ PHE A 553 12.519 -0.024 -5.775 1.00 0.00 H new ATOM 1478 N THR A 554 7.967 -6.204 -5.139 1.00 0.00 N ATOM 1479 CA THR A 554 7.074 -7.255 -5.570 1.00 0.00 C ATOM 1480 C THR A 554 6.535 -6.961 -6.946 1.00 0.00 C ATOM 1481 O THR A 554 6.174 -5.828 -7.250 1.00 0.00 O ATOM 1482 CB THR A 554 5.940 -7.427 -4.564 1.00 0.00 C ATOM 1483 OG1 THR A 554 6.419 -7.229 -3.246 1.00 0.00 O ATOM 1484 CG2 THR A 554 5.285 -8.788 -4.613 1.00 0.00 C ATOM 0 H THR A 554 7.623 -5.253 -5.269 1.00 0.00 H new ATOM 0 HA THR A 554 7.632 -8.190 -5.621 1.00 0.00 H new ATOM 0 HB THR A 554 5.194 -6.681 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 554 7.115 -6.539 -3.251 1.00 0.00 H new ATOM 0 HG21 THR A 554 4.489 -8.836 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 554 4.866 -8.955 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 554 6.027 -9.557 -4.399 1.00 0.00 H new ATOM 1492 N PRO A 555 6.457 -7.977 -7.804 1.00 0.00 N ATOM 1493 CA PRO A 555 5.939 -7.803 -9.135 1.00 0.00 C ATOM 1494 C PRO A 555 4.422 -7.894 -9.149 1.00 0.00 C ATOM 1495 O PRO A 555 3.816 -7.969 -10.214 1.00 0.00 O ATOM 1496 CB PRO A 555 6.589 -8.943 -9.896 1.00 0.00 C ATOM 1497 CG PRO A 555 6.676 -10.043 -8.895 1.00 0.00 C ATOM 1498 CD PRO A 555 6.860 -9.375 -7.553 1.00 0.00 C ATOM 0 HA PRO A 555 6.158 -6.827 -9.568 1.00 0.00 H new ATOM 0 HB2 PRO A 555 5.993 -9.236 -10.760 1.00 0.00 H new ATOM 0 HB3 PRO A 555 7.575 -8.663 -10.268 1.00 0.00 H new ATOM 0 HG2 PRO A 555 5.772 -10.652 -8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 555 7.511 -10.707 -9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 555 6.241 -9.839 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 555 7.893 -9.439 -7.211 1.00 0.00 H new ATOM 1506 N ILE A 556 3.810 -7.815 -7.955 1.00 0.00 N ATOM 1507 CA ILE A 556 2.362 -7.813 -7.851 1.00 0.00 C ATOM 1508 C ILE A 556 1.682 -9.149 -8.196 1.00 0.00 C ATOM 1509 O ILE A 556 0.576 -9.159 -8.738 1.00 0.00 O ATOM 1510 CB ILE A 556 1.771 -6.660 -8.671 1.00 0.00 C ATOM 1511 CG1 ILE A 556 0.632 -5.981 -7.912 1.00 0.00 C ATOM 1512 CG2 ILE A 556 1.302 -7.149 -10.009 1.00 0.00 C ATOM 1513 CD1 ILE A 556 0.975 -5.620 -6.482 1.00 0.00 C ATOM 0 H ILE A 556 4.300 -7.753 -7.063 1.00 0.00 H new ATOM 0 HA ILE A 556 2.146 -7.663 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 556 2.556 -5.921 -8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 556 0.343 -5.075 -8.445 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -0.235 -6.641 -7.911 1.00 0.00 H new ATOM 0 HG21 ILE A 556 0.886 -6.316 -10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 556 2.143 -7.576 -10.556 1.00 0.00 H new ATOM 0 HG23 ILE A 556 0.536 -7.911 -9.870 1.00 0.00 H new ATOM 0 HD11 ILE A 556 0.116 -5.142 -6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 556 1.235 -6.524 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 556 1.822 -4.934 -6.473 1.00 0.00 H new ATOM 1525 N LYS A 557 2.318 -10.272 -7.897 1.00 0.00 N ATOM 1526 CA LYS A 557 1.718 -11.566 -8.220 1.00 0.00 C ATOM 1527 C LYS A 557 1.172 -12.166 -6.936 1.00 0.00 C ATOM 1528 O LYS A 557 1.628 -11.833 -5.846 1.00 0.00 O ATOM 1529 CB LYS A 557 2.753 -12.501 -8.853 1.00 0.00 C ATOM 1530 CG LYS A 557 2.346 -13.016 -10.226 1.00 0.00 C ATOM 1531 CD LYS A 557 2.076 -14.512 -10.205 1.00 0.00 C ATOM 1532 CE LYS A 557 2.200 -15.121 -11.593 1.00 0.00 C ATOM 1533 NZ LYS A 557 2.885 -16.442 -11.559 1.00 0.00 N ATOM 0 H LYS A 557 3.229 -10.319 -7.441 1.00 0.00 H new ATOM 0 HA LYS A 557 0.913 -11.432 -8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.703 -11.974 -8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.918 -13.350 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.453 -12.489 -10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.135 -12.798 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 557 2.778 -15.000 -9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.076 -14.697 -9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.208 -15.238 -12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 557 2.754 -14.441 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.950 -16.824 -12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 3.841 -16.327 -11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.343 -17.099 -10.962 1.00 0.00 H new ATOM 1547 N THR A 558 0.092 -12.935 -7.053 1.00 0.00 N ATOM 1548 CA THR A 558 -0.586 -13.417 -5.862 1.00 0.00 C ATOM 1549 C THR A 558 0.165 -14.466 -5.044 1.00 0.00 C ATOM 1550 O THR A 558 0.344 -15.615 -5.446 1.00 0.00 O ATOM 1551 CB THR A 558 -1.958 -13.972 -6.244 1.00 0.00 C ATOM 1552 OG1 THR A 558 -2.582 -14.580 -5.128 1.00 0.00 O ATOM 1553 CG2 THR A 558 -1.900 -14.999 -7.354 1.00 0.00 C ATOM 0 H THR A 558 -0.321 -13.230 -7.938 1.00 0.00 H new ATOM 0 HA THR A 558 -0.660 -12.545 -5.213 1.00 0.00 H new ATOM 0 HB THR A 558 -2.529 -13.113 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 558 -3.459 -14.927 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 558 -2.907 -15.352 -7.576 1.00 0.00 H new ATOM 0 HG22 THR A 558 -1.469 -14.546 -8.247 1.00 0.00 H new ATOM 0 HG23 THR A 558 -1.282 -15.840 -7.040 1.00 0.00 H new ATOM 1561 N TRP A 559 0.483 -14.035 -3.828 1.00 0.00 N ATOM 1562 CA TRP A 559 1.091 -14.842 -2.781 1.00 0.00 C ATOM 1563 C TRP A 559 0.426 -14.402 -1.488 1.00 0.00 C ATOM 1564 O TRP A 559 0.447 -13.205 -1.194 1.00 0.00 O ATOM 1565 CB TRP A 559 2.603 -14.641 -2.712 1.00 0.00 C ATOM 1566 CG TRP A 559 3.061 -13.389 -3.383 1.00 0.00 C ATOM 1567 CD1 TRP A 559 2.898 -12.111 -2.936 1.00 0.00 C ATOM 1568 CD2 TRP A 559 3.747 -13.298 -4.632 1.00 0.00 C ATOM 1569 NE1 TRP A 559 3.446 -11.228 -3.833 1.00 0.00 N ATOM 1570 CE2 TRP A 559 3.974 -11.935 -4.883 1.00 0.00 C ATOM 1571 CE3 TRP A 559 4.194 -14.238 -5.562 1.00 0.00 C ATOM 1572 CZ2 TRP A 559 4.625 -11.492 -6.026 1.00 0.00 C ATOM 1573 CZ3 TRP A 559 4.841 -13.792 -6.696 1.00 0.00 C ATOM 1574 CH2 TRP A 559 5.050 -12.430 -6.920 1.00 0.00 C ATOM 0 H TRP A 559 0.316 -13.072 -3.535 1.00 0.00 H new ATOM 0 HA TRP A 559 0.944 -15.905 -2.974 1.00 0.00 H new ATOM 0 HB2 TRP A 559 2.913 -14.620 -1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 559 3.098 -15.495 -3.174 1.00 0.00 H new ATOM 0 HD1 TRP A 559 2.410 -11.834 -2.013 1.00 0.00 H new ATOM 0 HE1 TRP A 559 3.458 -10.213 -3.735 1.00 0.00 H new ATOM 0 HE3 TRP A 559 4.036 -15.294 -5.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 559 4.790 -10.439 -6.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 559 5.192 -14.509 -7.423 1.00 0.00 H new ATOM 0 HH2 TRP A 559 5.558 -12.113 -7.819 1.00 0.00 H new ATOM 1585 N ASN A 560 -0.196 -15.281 -0.722 1.00 0.00 N ATOM 1586 CA ASN A 560 -0.855 -14.784 0.479 1.00 0.00 C ATOM 1587 C ASN A 560 0.051 -14.791 1.706 1.00 0.00 C ATOM 1588 O ASN A 560 0.542 -13.744 2.122 1.00 0.00 O ATOM 1589 CB ASN A 560 -2.106 -15.616 0.765 1.00 0.00 C ATOM 1590 CG ASN A 560 -3.301 -15.166 -0.054 1.00 0.00 C ATOM 1591 OD1 ASN A 560 -3.538 -13.970 -0.220 1.00 0.00 O ATOM 1592 ND2 ASN A 560 -4.060 -16.126 -0.570 1.00 0.00 N ATOM 0 H ASN A 560 -0.261 -16.285 -0.891 1.00 0.00 H new ATOM 0 HA ASN A 560 -1.121 -13.745 0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 560 -1.898 -16.665 0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 560 -2.350 -15.548 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 560 -4.878 -15.884 -1.130 1.00 0.00 H new ATOM 0 HD22 ASN A 560 -3.825 -17.105 -0.406 1.00 0.00 H new ATOM 1599 N ALA A 561 0.253 -15.960 2.287 1.00 0.00 N ATOM 1600 CA ALA A 561 1.082 -16.096 3.480 1.00 0.00 C ATOM 1601 C ALA A 561 2.590 -16.031 3.244 1.00 0.00 C ATOM 1602 O ALA A 561 3.307 -15.329 3.955 1.00 0.00 O ATOM 1603 CB ALA A 561 0.699 -17.340 4.237 1.00 0.00 C ATOM 0 H ALA A 561 -0.147 -16.837 1.952 1.00 0.00 H new ATOM 0 HA ALA A 561 0.871 -15.212 4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 561 1.324 -17.432 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -0.348 -17.277 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 561 0.843 -18.213 3.600 1.00 0.00 H new ATOM 1609 N SER A 562 3.077 -16.815 2.299 1.00 0.00 N ATOM 1610 CA SER A 562 4.511 -16.888 2.035 1.00 0.00 C ATOM 1611 C SER A 562 5.170 -15.516 1.886 1.00 0.00 C ATOM 1612 O SER A 562 6.132 -15.197 2.593 1.00 0.00 O ATOM 1613 CB SER A 562 4.768 -17.720 0.777 1.00 0.00 C ATOM 1614 OG SER A 562 6.106 -18.184 0.737 1.00 0.00 O ATOM 0 H SER A 562 2.505 -17.411 1.700 1.00 0.00 H new ATOM 0 HA SER A 562 4.963 -17.363 2.906 1.00 0.00 H new ATOM 0 HB2 SER A 562 4.085 -18.569 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 562 4.562 -17.119 -0.109 1.00 0.00 H new ATOM 0 HG SER A 562 6.240 -18.728 -0.067 1.00 0.00 H new ATOM 1620 N LYS A 563 4.670 -14.720 0.958 1.00 0.00 N ATOM 1621 CA LYS A 563 5.244 -13.403 0.704 1.00 0.00 C ATOM 1622 C LYS A 563 4.996 -12.438 1.853 1.00 0.00 C ATOM 1623 O LYS A 563 5.913 -11.756 2.304 1.00 0.00 O ATOM 1624 CB LYS A 563 4.711 -12.824 -0.606 1.00 0.00 C ATOM 1625 CG LYS A 563 5.577 -13.172 -1.808 1.00 0.00 C ATOM 1626 CD LYS A 563 5.508 -14.655 -2.142 1.00 0.00 C ATOM 1627 CE LYS A 563 6.879 -15.310 -2.075 1.00 0.00 C ATOM 1628 NZ LYS A 563 7.011 -16.208 -0.895 1.00 0.00 N ATOM 0 H LYS A 563 3.872 -14.957 0.369 1.00 0.00 H new ATOM 0 HA LYS A 563 6.323 -13.535 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 563 3.700 -13.194 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 563 4.643 -11.740 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 563 5.253 -12.589 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 563 6.611 -12.893 -1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 563 4.832 -15.154 -1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 563 5.091 -14.784 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 563 7.053 -15.882 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 563 7.648 -14.538 -2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 7.994 -16.541 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 6.755 -15.687 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 6.377 -17.025 -1.007 1.00 0.00 H new ATOM 1642 N THR A 564 3.759 -12.364 2.311 1.00 0.00 N ATOM 1643 CA THR A 564 3.404 -11.458 3.397 1.00 0.00 C ATOM 1644 C THR A 564 4.349 -11.603 4.591 1.00 0.00 C ATOM 1645 O THR A 564 5.130 -10.704 4.887 1.00 0.00 O ATOM 1646 CB THR A 564 1.951 -11.668 3.820 1.00 0.00 C ATOM 1647 OG1 THR A 564 1.580 -10.725 4.802 1.00 0.00 O ATOM 1648 CG2 THR A 564 1.655 -13.033 4.372 1.00 0.00 C ATOM 0 H THR A 564 2.982 -12.918 1.951 1.00 0.00 H new ATOM 0 HA THR A 564 3.511 -10.439 3.024 1.00 0.00 H new ATOM 0 HB THR A 564 1.377 -11.547 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 564 1.535 -11.164 5.677 1.00 0.00 H new ATOM 0 HG21 THR A 564 0.602 -13.094 4.646 1.00 0.00 H new ATOM 0 HG22 THR A 564 1.877 -13.787 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 564 2.271 -13.210 5.254 1.00 0.00 H new ATOM 1656 N GLN A 565 4.287 -12.732 5.271 1.00 0.00 N ATOM 1657 CA GLN A 565 5.137 -12.975 6.420 1.00 0.00 C ATOM 1658 C GLN A 565 6.600 -12.681 6.109 1.00 0.00 C ATOM 1659 O GLN A 565 7.290 -12.036 6.892 1.00 0.00 O ATOM 1660 CB GLN A 565 4.985 -14.410 6.921 1.00 0.00 C ATOM 1661 CG GLN A 565 5.521 -14.615 8.330 1.00 0.00 C ATOM 1662 CD GLN A 565 4.753 -13.823 9.373 1.00 0.00 C ATOM 1663 OE1 GLN A 565 4.967 -12.509 9.405 1.00 0.00 O flip ATOM 1664 NE2 GLN A 565 3.976 -14.386 10.145 1.00 0.00 N flip ATOM 0 H GLN A 565 3.653 -13.499 5.046 1.00 0.00 H new ATOM 0 HA GLN A 565 4.814 -12.293 7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 565 3.931 -14.686 6.897 1.00 0.00 H new ATOM 0 HB3 GLN A 565 5.506 -15.083 6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 565 5.476 -15.675 8.580 1.00 0.00 H new ATOM 0 HG3 GLN A 565 6.571 -14.324 8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 565 3.841 -15.395 10.087 1.00 0.00 H new ATOM 0 HE22 GLN A 565 3.467 -13.843 10.843 1.00 0.00 H new ATOM 1673 N GLU A 566 7.079 -13.183 4.979 1.00 0.00 N ATOM 1674 CA GLU A 566 8.476 -12.995 4.595 1.00 0.00 C ATOM 1675 C GLU A 566 8.913 -11.534 4.697 1.00 0.00 C ATOM 1676 O GLU A 566 9.821 -11.199 5.458 1.00 0.00 O ATOM 1677 CB GLU A 566 8.699 -13.501 3.168 1.00 0.00 C ATOM 1678 CG GLU A 566 10.164 -13.678 2.808 1.00 0.00 C ATOM 1679 CD GLU A 566 10.370 -14.652 1.664 1.00 0.00 C ATOM 1680 OE1 GLU A 566 9.507 -15.532 1.472 1.00 0.00 O ATOM 1681 OE2 GLU A 566 11.395 -14.531 0.960 1.00 0.00 O ATOM 0 H GLU A 566 6.525 -13.722 4.313 1.00 0.00 H new ATOM 0 HA GLU A 566 9.084 -13.570 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 566 8.185 -14.455 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 566 8.243 -12.801 2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 566 10.587 -12.711 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 566 10.709 -14.031 3.683 1.00 0.00 H new ATOM 1688 N PHE A 567 8.284 -10.678 3.906 1.00 0.00 N ATOM 1689 CA PHE A 567 8.621 -9.257 3.876 1.00 0.00 C ATOM 1690 C PHE A 567 7.692 -8.430 4.748 1.00 0.00 C ATOM 1691 O PHE A 567 8.130 -7.626 5.571 1.00 0.00 O ATOM 1692 CB PHE A 567 8.548 -8.740 2.442 1.00 0.00 C ATOM 1693 CG PHE A 567 8.525 -9.826 1.423 1.00 0.00 C ATOM 1694 CD1 PHE A 567 9.549 -10.752 1.362 1.00 0.00 C ATOM 1695 CD2 PHE A 567 7.468 -9.930 0.540 1.00 0.00 C ATOM 1696 CE1 PHE A 567 9.520 -11.764 0.431 1.00 0.00 C ATOM 1697 CE2 PHE A 567 7.432 -10.939 -0.389 1.00 0.00 C ATOM 1698 CZ PHE A 567 8.459 -11.856 -0.443 1.00 0.00 C ATOM 0 H PHE A 567 7.531 -10.943 3.271 1.00 0.00 H new ATOM 0 HA PHE A 567 9.633 -9.155 4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 567 7.654 -8.127 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 567 9.404 -8.092 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 567 10.378 -10.681 2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 567 6.663 -9.211 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 567 10.325 -12.483 0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 567 6.602 -11.014 -1.075 1.00 0.00 H new ATOM 0 HZ PHE A 567 8.432 -12.651 -1.174 1.00 0.00 H new ATOM 1708 N ILE A 568 6.408 -8.638 4.540 1.00 0.00 N ATOM 1709 CA ILE A 568 5.355 -7.942 5.265 1.00 0.00 C ATOM 1710 C ILE A 568 5.434 -8.133 6.760 1.00 0.00 C ATOM 1711 O ILE A 568 4.531 -7.732 7.494 1.00 0.00 O ATOM 1712 CB ILE A 568 3.957 -8.247 4.698 1.00 0.00 C ATOM 1713 CG1 ILE A 568 3.779 -7.402 3.456 1.00 0.00 C ATOM 1714 CG2 ILE A 568 2.839 -7.973 5.697 1.00 0.00 C ATOM 1715 CD1 ILE A 568 4.830 -7.673 2.406 1.00 0.00 C ATOM 0 H ILE A 568 6.057 -9.305 3.853 1.00 0.00 H new ATOM 0 HA ILE A 568 5.531 -6.879 5.101 1.00 0.00 H new ATOM 0 HB ILE A 568 3.892 -9.310 4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 568 2.792 -7.591 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 568 3.811 -6.348 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 568 1.877 -8.207 5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 568 2.981 -8.594 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 568 2.858 -6.922 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 568 4.650 -7.038 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 568 5.817 -7.458 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 568 4.782 -8.720 2.105 1.00 0.00 H new ATOM 1727 N ILE A 569 6.525 -8.709 7.226 1.00 0.00 N ATOM 1728 CA ILE A 569 6.682 -8.887 8.650 1.00 0.00 C ATOM 1729 C ILE A 569 6.455 -7.512 9.223 1.00 0.00 C ATOM 1730 O ILE A 569 5.742 -7.334 10.209 1.00 0.00 O ATOM 1731 CB ILE A 569 8.110 -9.341 9.041 1.00 0.00 C ATOM 1732 CG1 ILE A 569 9.163 -8.719 8.098 1.00 0.00 C ATOM 1733 CG2 ILE A 569 8.220 -10.857 9.049 1.00 0.00 C ATOM 1734 CD1 ILE A 569 10.575 -9.188 8.371 1.00 0.00 C ATOM 0 H ILE A 569 7.296 -9.053 6.654 1.00 0.00 H new ATOM 0 HA ILE A 569 5.998 -9.653 9.015 1.00 0.00 H new ATOM 0 HB ILE A 569 8.308 -8.986 10.052 1.00 0.00 H new ATOM 0 HG12 ILE A 569 8.902 -8.960 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 569 9.126 -7.634 8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 569 9.233 -11.147 9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 569 7.514 -11.269 9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 569 7.992 -11.244 8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 569 11.259 -8.709 7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 569 10.856 -8.923 9.390 1.00 0.00 H new ATOM 0 HD13 ILE A 569 10.629 -10.270 8.249 1.00 0.00 H new ATOM 1746 N ASP A 570 6.968 -6.534 8.484 1.00 0.00 N ATOM 1747 CA ASP A 570 6.735 -5.142 8.778 1.00 0.00 C ATOM 1748 C ASP A 570 6.644 -4.882 10.258 1.00 0.00 C ATOM 1749 O ASP A 570 5.670 -4.285 10.723 1.00 0.00 O ATOM 1750 CB ASP A 570 5.445 -4.711 8.088 1.00 0.00 C ATOM 1751 CG ASP A 570 5.449 -5.054 6.610 1.00 0.00 C ATOM 1752 OD1 ASP A 570 6.542 -5.066 6.006 1.00 0.00 O ATOM 1753 OD2 ASP A 570 4.362 -5.318 6.059 1.00 0.00 O ATOM 0 H ASP A 570 7.556 -6.694 7.666 1.00 0.00 H new ATOM 0 HA ASP A 570 7.580 -4.563 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 570 4.596 -5.196 8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 570 5.310 -3.636 8.210 1.00 0.00 H new ATOM 1758 N GLY A 571 7.634 -5.322 11.014 1.00 0.00 N ATOM 1759 CA GLY A 571 7.563 -5.088 12.434 1.00 0.00 C ATOM 1760 C GLY A 571 7.294 -3.629 12.679 1.00 0.00 C ATOM 1761 O GLY A 571 6.409 -3.275 13.459 1.00 0.00 O ATOM 0 H GLY A 571 8.460 -5.821 10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 571 6.773 -5.695 12.876 1.00 0.00 H new ATOM 0 HA3 GLY A 571 8.497 -5.383 12.911 1.00 0.00 H new ATOM 1765 N ASP A 572 8.006 -2.774 11.951 1.00 0.00 N ATOM 1766 CA ASP A 572 7.767 -1.353 12.044 1.00 0.00 C ATOM 1767 C ASP A 572 7.329 -0.750 10.704 1.00 0.00 C ATOM 1768 O ASP A 572 6.805 0.365 10.683 1.00 0.00 O ATOM 1769 CB ASP A 572 9.025 -0.641 12.541 1.00 0.00 C ATOM 1770 CG ASP A 572 9.107 -0.601 14.055 1.00 0.00 C ATOM 1771 OD1 ASP A 572 9.600 -1.583 14.649 1.00 0.00 O ATOM 1772 OD2 ASP A 572 8.678 0.412 14.646 1.00 0.00 O ATOM 0 H ASP A 572 8.743 -3.044 11.300 1.00 0.00 H new ATOM 0 HA ASP A 572 6.953 -1.208 12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 572 9.906 -1.147 12.145 1.00 0.00 H new ATOM 0 HB3 ASP A 572 9.041 0.377 12.152 1.00 0.00 H new ATOM 1777 N LEU A 573 7.550 -1.451 9.570 1.00 0.00 N ATOM 1778 CA LEU A 573 7.162 -0.879 8.287 1.00 0.00 C ATOM 1779 C LEU A 573 6.556 -1.855 7.311 1.00 0.00 C ATOM 1780 O LEU A 573 7.077 -2.936 7.077 1.00 0.00 O ATOM 1781 CB LEU A 573 8.341 -0.187 7.623 1.00 0.00 C ATOM 1782 CG LEU A 573 7.958 0.834 6.550 1.00 0.00 C ATOM 1783 CD1 LEU A 573 8.023 2.248 7.106 1.00 0.00 C ATOM 1784 CD2 LEU A 573 8.860 0.694 5.337 1.00 0.00 C ATOM 0 H LEU A 573 7.978 -2.376 9.526 1.00 0.00 H new ATOM 0 HA LEU A 573 6.379 -0.163 8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 573 8.930 0.315 8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 573 8.983 -0.944 7.173 1.00 0.00 H new ATOM 0 HG LEU A 573 6.932 0.637 6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 573 7.747 2.958 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 573 7.332 2.342 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 573 9.037 2.459 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 573 8.573 1.428 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 573 9.896 0.863 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 573 8.760 -0.309 4.923 1.00 0.00 H new ATOM 1796 N LEU A 574 5.508 -1.396 6.675 1.00 0.00 N ATOM 1797 CA LEU A 574 4.862 -2.130 5.616 1.00 0.00 C ATOM 1798 C LEU A 574 4.621 -1.123 4.500 1.00 0.00 C ATOM 1799 O LEU A 574 4.119 -0.034 4.769 1.00 0.00 O ATOM 1800 CB LEU A 574 3.529 -2.706 6.111 1.00 0.00 C ATOM 1801 CG LEU A 574 2.622 -3.343 5.050 1.00 0.00 C ATOM 1802 CD1 LEU A 574 3.422 -3.873 3.865 1.00 0.00 C ATOM 1803 CD2 LEU A 574 1.797 -4.456 5.676 1.00 0.00 C ATOM 0 H LEU A 574 5.075 -0.495 6.879 1.00 0.00 H new ATOM 0 HA LEU A 574 5.471 -2.967 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 574 3.743 -3.457 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 574 2.972 -1.906 6.600 1.00 0.00 H new ATOM 0 HG LEU A 574 1.955 -2.569 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 574 2.743 -4.316 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 574 3.969 -3.053 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 574 4.127 -4.629 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 574 1.155 -4.904 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 574 2.462 -5.217 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 574 1.181 -4.046 6.476 1.00 0.00 H new ATOM 1815 N ILE A 575 4.944 -1.451 3.265 1.00 0.00 N ATOM 1816 CA ILE A 575 4.704 -0.505 2.167 1.00 0.00 C ATOM 1817 C ILE A 575 4.061 -1.172 0.973 1.00 0.00 C ATOM 1818 O ILE A 575 4.475 -2.249 0.540 1.00 0.00 O ATOM 1819 CB ILE A 575 5.984 0.207 1.663 1.00 0.00 C ATOM 1820 CG1 ILE A 575 7.242 -0.372 2.309 1.00 0.00 C ATOM 1821 CG2 ILE A 575 5.893 1.705 1.918 1.00 0.00 C ATOM 1822 CD1 ILE A 575 8.504 0.383 1.956 1.00 0.00 C ATOM 0 H ILE A 575 5.363 -2.339 2.989 1.00 0.00 H new ATOM 0 HA ILE A 575 4.035 0.237 2.603 1.00 0.00 H new ATOM 0 HB ILE A 575 6.058 0.036 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 575 7.118 -0.371 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 575 7.353 -1.412 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 575 6.800 2.191 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 575 5.030 2.112 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 575 5.784 1.886 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 575 9.357 -0.083 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 575 8.652 0.360 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 575 8.414 1.417 2.288 1.00 0.00 H new ATOM 1834 N LEU A 576 3.087 -0.489 0.410 1.00 0.00 N ATOM 1835 CA LEU A 576 2.417 -0.956 -0.774 1.00 0.00 C ATOM 1836 C LEU A 576 2.318 0.196 -1.736 1.00 0.00 C ATOM 1837 O LEU A 576 1.947 1.302 -1.341 1.00 0.00 O ATOM 1838 CB LEU A 576 1.010 -1.466 -0.425 1.00 0.00 C ATOM 1839 CG LEU A 576 -0.168 -0.761 -1.137 1.00 0.00 C ATOM 1840 CD1 LEU A 576 -0.690 -1.617 -2.291 1.00 0.00 C ATOM 1841 CD2 LEU A 576 -1.270 -0.480 -0.137 1.00 0.00 C ATOM 0 H LEU A 576 2.742 0.403 0.763 1.00 0.00 H new ATOM 0 HA LEU A 576 2.976 -1.779 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 576 0.964 -2.530 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 576 0.868 -1.369 0.651 1.00 0.00 H new ATOM 0 HG LEU A 576 0.182 0.184 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -1.518 -1.104 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 576 0.110 -1.782 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -1.034 -2.577 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -2.100 0.017 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -1.617 -1.419 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -0.887 0.164 0.655 1.00 0.00 H new ATOM 1853 N LYS A 577 2.605 -0.037 -2.990 1.00 0.00 N ATOM 1854 CA LYS A 577 2.477 1.040 -3.949 1.00 0.00 C ATOM 1855 C LYS A 577 1.729 0.569 -5.182 1.00 0.00 C ATOM 1856 O LYS A 577 2.018 -0.494 -5.724 1.00 0.00 O ATOM 1857 CB LYS A 577 3.862 1.596 -4.306 1.00 0.00 C ATOM 1858 CG LYS A 577 4.260 1.399 -5.756 1.00 0.00 C ATOM 1859 CD LYS A 577 5.734 1.691 -5.976 1.00 0.00 C ATOM 1860 CE LYS A 577 5.953 3.109 -6.476 1.00 0.00 C ATOM 1861 NZ LYS A 577 5.705 3.227 -7.940 1.00 0.00 N ATOM 0 H LYS A 577 2.919 -0.931 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 577 1.896 1.847 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 577 3.882 2.662 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 577 4.607 1.119 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 577 4.043 0.374 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 577 3.661 2.052 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 577 6.278 1.545 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 577 6.142 0.983 -6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 577 5.291 3.789 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 577 6.975 3.418 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 5.865 4.209 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 6.354 2.597 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 4.723 2.957 -8.149 1.00 0.00 H new ATOM 1875 N LEU A 578 0.795 1.381 -5.648 1.00 0.00 N ATOM 1876 CA LEU A 578 0.052 1.053 -6.846 1.00 0.00 C ATOM 1877 C LEU A 578 0.228 2.199 -7.828 1.00 0.00 C ATOM 1878 O LEU A 578 0.075 3.378 -7.466 1.00 0.00 O ATOM 1879 CB LEU A 578 -1.428 0.828 -6.500 1.00 0.00 C ATOM 1880 CG LEU A 578 -1.685 0.150 -5.139 1.00 0.00 C ATOM 1881 CD1 LEU A 578 -2.514 1.047 -4.223 1.00 0.00 C ATOM 1882 CD2 LEU A 578 -2.370 -1.199 -5.327 1.00 0.00 C ATOM 0 H LEU A 578 0.536 2.268 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 578 0.421 0.131 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 578 -1.938 1.791 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 578 -1.880 0.219 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 578 -0.718 -0.017 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 578 -2.679 0.542 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 578 -1.981 1.982 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 578 -3.475 1.258 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 578 -2.541 -1.659 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 578 -3.324 -1.055 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 578 -1.735 -1.849 -5.929 1.00 0.00 H new ATOM 1894 N GLY A 579 0.559 1.844 -9.065 1.00 0.00 N ATOM 1895 CA GLY A 579 0.804 2.842 -10.080 1.00 0.00 C ATOM 1896 C GLY A 579 -0.406 3.223 -10.881 1.00 0.00 C ATOM 1897 O GLY A 579 -0.321 4.108 -11.733 1.00 0.00 O ATOM 0 H GLY A 579 0.661 0.879 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 579 1.205 3.736 -9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 579 1.572 2.471 -10.759 1.00 0.00 H new ATOM 1901 N LYS A 580 -1.541 2.593 -10.625 1.00 0.00 N ATOM 1902 CA LYS A 580 -2.719 2.957 -11.369 1.00 0.00 C ATOM 1903 C LYS A 580 -3.245 4.280 -10.851 1.00 0.00 C ATOM 1904 O LYS A 580 -3.530 5.185 -11.636 1.00 0.00 O ATOM 1905 CB LYS A 580 -3.793 1.864 -11.317 1.00 0.00 C ATOM 1906 CG LYS A 580 -4.219 1.468 -9.915 1.00 0.00 C ATOM 1907 CD LYS A 580 -5.734 1.474 -9.775 1.00 0.00 C ATOM 1908 CE LYS A 580 -6.195 0.509 -8.699 1.00 0.00 C ATOM 1909 NZ LYS A 580 -7.590 0.791 -8.260 1.00 0.00 N ATOM 0 H LYS A 580 -1.664 1.854 -9.932 1.00 0.00 H new ATOM 0 HA LYS A 580 -2.449 3.066 -12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 580 -4.670 2.207 -11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 580 -3.419 0.980 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 580 -3.834 0.475 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 580 -3.782 2.157 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 580 -6.074 2.481 -9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 580 -6.190 1.204 -10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 580 -6.133 -0.512 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 580 -5.525 0.574 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 -8.076 -0.104 -8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 -7.572 1.383 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 -8.098 1.292 -9.017 1.00 0.00 H new ATOM 1923 N TRP A 581 -3.336 4.421 -9.529 1.00 0.00 N ATOM 1924 CA TRP A 581 -3.788 5.677 -8.973 1.00 0.00 C ATOM 1925 C TRP A 581 -3.024 6.153 -7.733 1.00 0.00 C ATOM 1926 O TRP A 581 -2.634 7.319 -7.663 1.00 0.00 O ATOM 1927 CB TRP A 581 -5.294 5.637 -8.690 1.00 0.00 C ATOM 1928 CG TRP A 581 -5.765 4.488 -7.838 1.00 0.00 C ATOM 1929 CD1 TRP A 581 -5.063 3.382 -7.445 1.00 0.00 C ATOM 1930 CD2 TRP A 581 -7.073 4.342 -7.280 1.00 0.00 C ATOM 1931 NE1 TRP A 581 -5.853 2.571 -6.668 1.00 0.00 N ATOM 1932 CE2 TRP A 581 -7.093 3.136 -6.557 1.00 0.00 C ATOM 1933 CE3 TRP A 581 -8.230 5.120 -7.322 1.00 0.00 C ATOM 1934 CZ2 TRP A 581 -8.226 2.692 -5.881 1.00 0.00 C ATOM 1935 CZ3 TRP A 581 -9.352 4.679 -6.655 1.00 0.00 C ATOM 1936 CH2 TRP A 581 -9.345 3.475 -5.940 1.00 0.00 C ATOM 0 H TRP A 581 -3.108 3.698 -8.847 1.00 0.00 H new ATOM 0 HA TRP A 581 -3.571 6.416 -9.744 1.00 0.00 H new ATOM 0 HB2 TRP A 581 -5.579 6.569 -8.202 1.00 0.00 H new ATOM 0 HB3 TRP A 581 -5.824 5.601 -9.642 1.00 0.00 H new ATOM 0 HD1 TRP A 581 -4.036 3.176 -7.708 1.00 0.00 H new ATOM 0 HE1 TRP A 581 -5.562 1.691 -6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 581 -8.246 6.052 -7.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 581 -8.221 1.763 -5.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 581 -10.254 5.273 -6.684 1.00 0.00 H new ATOM 0 HH2 TRP A 581 -10.240 3.159 -5.426 1.00 0.00 H new ATOM 1947 N LYS A 582 -2.885 5.297 -6.719 1.00 0.00 N ATOM 1948 CA LYS A 582 -2.261 5.720 -5.479 1.00 0.00 C ATOM 1949 C LYS A 582 -1.334 4.694 -4.868 1.00 0.00 C ATOM 1950 O LYS A 582 -1.404 3.497 -5.156 1.00 0.00 O ATOM 1951 CB LYS A 582 -3.339 6.098 -4.463 1.00 0.00 C ATOM 1952 CG LYS A 582 -4.445 5.065 -4.335 1.00 0.00 C ATOM 1953 CD LYS A 582 -5.745 5.694 -3.858 1.00 0.00 C ATOM 1954 CE LYS A 582 -6.296 6.676 -4.880 1.00 0.00 C ATOM 1955 NZ LYS A 582 -6.019 8.089 -4.500 1.00 0.00 N ATOM 0 H LYS A 582 -3.192 4.325 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 582 -1.641 6.579 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 582 -2.873 6.241 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 582 -3.778 7.054 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 582 -4.606 4.582 -5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 582 -4.138 4.287 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 582 -6.481 4.912 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 582 -5.576 6.208 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 582 -5.856 6.470 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 582 -7.372 6.531 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 -6.896 8.536 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 -5.306 8.112 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 -5.661 8.607 -5.328 1.00 0.00 H new ATOM 1969 N MET A 583 -0.540 5.175 -3.935 1.00 0.00 N ATOM 1970 CA MET A 583 0.332 4.344 -3.149 1.00 0.00 C ATOM 1971 C MET A 583 -0.100 4.510 -1.710 1.00 0.00 C ATOM 1972 O MET A 583 -0.332 5.624 -1.233 1.00 0.00 O ATOM 1973 CB MET A 583 1.804 4.748 -3.317 1.00 0.00 C ATOM 1974 CG MET A 583 2.630 4.625 -2.037 1.00 0.00 C ATOM 1975 SD MET A 583 4.406 4.615 -2.353 1.00 0.00 S ATOM 1976 CE MET A 583 5.020 3.948 -0.809 1.00 0.00 C ATOM 0 H MET A 583 -0.485 6.167 -3.702 1.00 0.00 H new ATOM 0 HA MET A 583 0.259 3.306 -3.472 1.00 0.00 H new ATOM 0 HB2 MET A 583 2.255 4.126 -4.090 1.00 0.00 H new ATOM 0 HB3 MET A 583 1.850 5.778 -3.670 1.00 0.00 H new ATOM 0 HG2 MET A 583 2.388 5.454 -1.372 1.00 0.00 H new ATOM 0 HG3 MET A 583 2.352 3.708 -1.517 1.00 0.00 H new ATOM 0 HE1 MET A 583 6.074 4.201 -0.697 1.00 0.00 H new ATOM 0 HE2 MET A 583 4.455 4.372 0.021 1.00 0.00 H new ATOM 0 HE3 MET A 583 4.906 2.864 -0.810 1.00 0.00 H new ATOM 1986 N LYS A 584 -0.194 3.401 -1.031 1.00 0.00 N ATOM 1987 CA LYS A 584 -0.584 3.402 0.352 1.00 0.00 C ATOM 1988 C LYS A 584 0.518 2.754 1.157 1.00 0.00 C ATOM 1989 O LYS A 584 1.017 1.686 0.813 1.00 0.00 O ATOM 1990 CB LYS A 584 -1.915 2.638 0.480 1.00 0.00 C ATOM 1991 CG LYS A 584 -2.209 2.042 1.850 1.00 0.00 C ATOM 1992 CD LYS A 584 -2.040 3.068 2.953 1.00 0.00 C ATOM 1993 CE LYS A 584 -3.288 3.906 3.107 1.00 0.00 C ATOM 1994 NZ LYS A 584 -3.044 5.330 2.764 1.00 0.00 N ATOM 0 H LYS A 584 -0.004 2.476 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 584 -0.733 4.413 0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 584 -2.728 3.316 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 584 -1.922 1.833 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 584 -3.227 1.653 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 584 -1.542 1.199 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 584 -1.818 2.563 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 584 -1.190 3.712 2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 584 -4.074 3.508 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 584 -3.648 3.836 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 -3.835 5.690 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 -2.965 5.889 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 -2.161 5.410 2.221 1.00 0.00 H new ATOM 2008 N LEU A 585 0.876 3.400 2.236 1.00 0.00 N ATOM 2009 CA LEU A 585 1.901 2.901 3.114 1.00 0.00 C ATOM 2010 C LEU A 585 1.275 2.688 4.464 1.00 0.00 C ATOM 2011 O LEU A 585 0.483 3.507 4.927 1.00 0.00 O ATOM 2012 CB LEU A 585 3.072 3.890 3.184 1.00 0.00 C ATOM 2013 CG LEU A 585 3.868 3.901 4.498 1.00 0.00 C ATOM 2014 CD1 LEU A 585 4.771 2.684 4.594 1.00 0.00 C ATOM 2015 CD2 LEU A 585 4.679 5.184 4.620 1.00 0.00 C ATOM 0 H LEU A 585 0.465 4.286 2.530 1.00 0.00 H new ATOM 0 HA LEU A 585 2.306 1.959 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 585 3.759 3.667 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 585 2.685 4.894 3.009 1.00 0.00 H new ATOM 0 HG LEU A 585 3.160 3.862 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 585 5.324 2.714 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 585 4.166 1.778 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 585 5.472 2.685 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 585 5.236 5.174 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 585 5.375 5.255 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 585 4.007 6.042 4.607 1.00 0.00 H new ATOM 2027 N VAL A 586 1.594 1.581 5.079 1.00 0.00 N ATOM 2028 CA VAL A 586 1.021 1.264 6.358 1.00 0.00 C ATOM 2029 C VAL A 586 2.081 0.828 7.356 1.00 0.00 C ATOM 2030 O VAL A 586 2.963 0.039 7.037 1.00 0.00 O ATOM 2031 CB VAL A 586 -0.045 0.157 6.195 1.00 0.00 C ATOM 2032 CG1 VAL A 586 -0.336 -0.539 7.519 1.00 0.00 C ATOM 2033 CG2 VAL A 586 -1.319 0.737 5.600 1.00 0.00 C ATOM 0 H VAL A 586 2.246 0.886 4.716 1.00 0.00 H new ATOM 0 HA VAL A 586 0.552 2.167 6.749 1.00 0.00 H new ATOM 0 HB VAL A 586 0.352 -0.594 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 586 -1.090 -1.311 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 586 0.578 -0.995 7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 586 -0.705 0.190 8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 586 -2.062 -0.053 5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 586 -1.709 1.512 6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 586 -1.101 1.168 4.623 1.00 0.00 H new ATOM 2043 N SER A 587 1.965 1.324 8.576 1.00 0.00 N ATOM 2044 CA SER A 587 2.890 0.949 9.637 1.00 0.00 C ATOM 2045 C SER A 587 2.132 0.094 10.640 1.00 0.00 C ATOM 2046 O SER A 587 0.994 0.413 10.987 1.00 0.00 O ATOM 2047 CB SER A 587 3.460 2.192 10.323 1.00 0.00 C ATOM 2048 OG SER A 587 4.498 2.771 9.550 1.00 0.00 O ATOM 0 H SER A 587 1.242 1.986 8.858 1.00 0.00 H new ATOM 0 HA SER A 587 3.728 0.390 9.219 1.00 0.00 H new ATOM 0 HB2 SER A 587 2.666 2.923 10.477 1.00 0.00 H new ATOM 0 HB3 SER A 587 3.842 1.924 11.308 1.00 0.00 H new ATOM 0 HG SER A 587 4.844 3.565 10.009 1.00 0.00 H new ATOM 2054 N ILE A 588 2.730 -0.999 11.092 1.00 0.00 N ATOM 2055 CA ILE A 588 2.047 -1.873 12.028 1.00 0.00 C ATOM 2056 C ILE A 588 2.907 -2.290 13.196 1.00 0.00 C ATOM 2057 O ILE A 588 4.110 -2.513 13.069 1.00 0.00 O ATOM 2058 CB ILE A 588 1.502 -3.130 11.331 1.00 0.00 C ATOM 2059 CG1 ILE A 588 2.642 -3.920 10.685 1.00 0.00 C ATOM 2060 CG2 ILE A 588 0.443 -2.759 10.302 1.00 0.00 C ATOM 2061 CD1 ILE A 588 3.209 -3.262 9.446 1.00 0.00 C ATOM 0 H ILE A 588 3.670 -1.296 10.830 1.00 0.00 H new ATOM 0 HA ILE A 588 1.220 -1.280 12.419 1.00 0.00 H new ATOM 0 HB ILE A 588 1.031 -3.765 12.082 1.00 0.00 H new ATOM 0 HG12 ILE A 588 3.441 -4.051 11.415 1.00 0.00 H new ATOM 0 HG13 ILE A 588 2.281 -4.915 10.425 1.00 0.00 H new ATOM 0 HG21 ILE A 588 0.071 -3.663 9.821 1.00 0.00 H new ATOM 0 HG22 ILE A 588 -0.381 -2.246 10.797 1.00 0.00 H new ATOM 0 HG23 ILE A 588 0.880 -2.102 9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 588 4.013 -3.878 9.042 1.00 0.00 H new ATOM 0 HD12 ILE A 588 2.423 -3.155 8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 588 3.601 -2.278 9.703 1.00 0.00 H new ATOM 2073 N VAL A 589 2.250 -2.411 14.337 1.00 0.00 N ATOM 2074 CA VAL A 589 2.907 -2.827 15.566 1.00 0.00 C ATOM 2075 C VAL A 589 2.100 -3.909 16.269 1.00 0.00 C ATOM 2076 O VAL A 589 0.875 -3.826 16.358 1.00 0.00 O ATOM 2077 CB VAL A 589 3.115 -1.641 16.528 1.00 0.00 C ATOM 2078 CG1 VAL A 589 4.252 -0.753 16.045 1.00 0.00 C ATOM 2079 CG2 VAL A 589 1.829 -0.842 16.676 1.00 0.00 C ATOM 0 H VAL A 589 1.252 -2.225 14.438 1.00 0.00 H new ATOM 0 HA VAL A 589 3.883 -3.224 15.288 1.00 0.00 H new ATOM 0 HB VAL A 589 3.385 -2.035 17.508 1.00 0.00 H new ATOM 0 HG11 VAL A 589 4.383 0.079 16.737 1.00 0.00 H new ATOM 0 HG12 VAL A 589 5.173 -1.334 15.997 1.00 0.00 H new ATOM 0 HG13 VAL A 589 4.016 -0.366 15.054 1.00 0.00 H new ATOM 0 HG21 VAL A 589 1.995 -0.009 17.359 1.00 0.00 H new ATOM 0 HG22 VAL A 589 1.525 -0.458 15.702 1.00 0.00 H new ATOM 0 HG23 VAL A 589 1.044 -1.486 17.073 1.00 0.00 H new ATOM 2089 N SER A 590 2.794 -4.925 16.768 1.00 0.00 N ATOM 2090 CA SER A 590 2.140 -6.023 17.462 1.00 0.00 C ATOM 2091 C SER A 590 1.608 -5.563 18.812 1.00 0.00 C ATOM 2092 O SER A 590 2.296 -4.864 19.555 1.00 0.00 O ATOM 2093 CB SER A 590 3.113 -7.188 17.653 1.00 0.00 C ATOM 2094 OG SER A 590 2.419 -8.414 17.796 1.00 0.00 O ATOM 0 H SER A 590 3.808 -5.010 16.704 1.00 0.00 H new ATOM 0 HA SER A 590 1.301 -6.360 16.853 1.00 0.00 H new ATOM 0 HB2 SER A 590 3.788 -7.246 16.799 1.00 0.00 H new ATOM 0 HB3 SER A 590 3.729 -7.010 18.534 1.00 0.00 H new ATOM 0 HG SER A 590 3.063 -9.143 17.915 1.00 0.00 H new