USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 424 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 67 SER OG : rot 69:sc= 0.4 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.253 X(o=-0.0043,f=-0.34) USER MOD Set 1.3: A 71 GLN : amide:sc= -0.151 X(o=-0.0043,f=-0.34) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 47:sc= 0.0722 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0.272 (180deg=0.272) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= 0.245 (180deg=0.00892) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -31:sc= 0.387 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.0376 (180deg=-0.368) USER MOD Single : A 74 GLN : amide:sc= -0.0316 K(o=-0.032,f=-1.5!) USER MOD Single : A 75 TYR OH : rot 180:sc= -2.18! USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= 0.55 K(o=0.55,f=-1.8!) USER MOD Single : A 82 ASN : amide:sc= -2.39 X(o=-2.4,f=-2.1!) USER MOD Single : A 91 THR OG1 : rot -40:sc= 0.558 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 4.446 -27.144 -56.084 1.00 0.00 N ATOM 430 CA VAL A 29 4.388 -28.500 -55.498 1.00 0.00 C ATOM 431 C VAL A 29 5.764 -28.855 -54.891 1.00 0.00 C ATOM 432 O VAL A 29 6.720 -29.150 -55.607 1.00 0.00 O ATOM 433 CB VAL A 29 3.899 -29.589 -56.559 1.00 0.00 C ATOM 434 CG1 VAL A 29 2.402 -29.374 -56.909 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.768 -29.587 -57.858 1.00 0.00 C ATOM 0 HA VAL A 29 3.644 -28.507 -54.701 1.00 0.00 H new ATOM 0 HB VAL A 29 4.021 -30.566 -56.092 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.086 -30.125 -57.633 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.800 -29.466 -56.005 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.267 -28.380 -57.335 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.395 -30.345 -58.547 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.712 -28.607 -58.332 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.804 -29.808 -57.603 1.00 0.00 H new ATOM 445 N SER A 30 5.849 -28.825 -53.549 1.00 0.00 N ATOM 446 CA SER A 30 7.125 -28.962 -52.824 1.00 0.00 C ATOM 447 C SER A 30 6.876 -29.319 -51.346 1.00 0.00 C ATOM 448 O SER A 30 6.228 -28.561 -50.616 1.00 0.00 O ATOM 449 CB SER A 30 7.953 -27.656 -52.952 1.00 0.00 C ATOM 450 OG SER A 30 7.179 -26.526 -52.605 1.00 0.00 O ATOM 0 H SER A 30 5.040 -28.706 -52.939 1.00 0.00 H new ATOM 0 HA SER A 30 7.697 -29.776 -53.270 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.829 -27.713 -52.306 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.317 -27.551 -53.974 1.00 0.00 H new ATOM 0 HG SER A 30 6.701 -26.702 -51.768 1.00 0.00 H new ATOM 456 N VAL A 31 7.372 -30.496 -50.940 1.00 0.00 N ATOM 457 CA VAL A 31 7.303 -30.994 -49.557 1.00 0.00 C ATOM 458 C VAL A 31 8.697 -30.874 -48.925 1.00 0.00 C ATOM 459 O VAL A 31 9.690 -31.253 -49.553 1.00 0.00 O ATOM 460 CB VAL A 31 6.823 -32.500 -49.513 1.00 0.00 C ATOM 461 CG1 VAL A 31 6.749 -33.033 -48.052 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.468 -32.672 -50.256 1.00 0.00 C ATOM 0 H VAL A 31 7.842 -31.142 -51.575 1.00 0.00 H new ATOM 0 HA VAL A 31 6.579 -30.398 -49.001 1.00 0.00 H new ATOM 0 HB VAL A 31 7.566 -33.103 -50.035 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.416 -34.071 -48.060 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.735 -32.972 -47.592 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.044 -32.430 -47.480 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.159 -33.716 -50.212 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.711 -32.049 -49.780 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.583 -32.371 -51.297 1.00 0.00 H new ATOM 472 N GLU A 32 8.770 -30.344 -47.699 1.00 0.00 N ATOM 473 CA GLU A 32 10.028 -30.247 -46.947 1.00 0.00 C ATOM 474 C GLU A 32 10.303 -31.584 -46.237 1.00 0.00 C ATOM 475 O GLU A 32 9.539 -32.006 -45.364 1.00 0.00 O ATOM 476 CB GLU A 32 9.976 -29.073 -45.942 1.00 0.00 C ATOM 477 CG GLU A 32 9.797 -27.695 -46.609 1.00 0.00 C ATOM 478 CD GLU A 32 9.745 -26.551 -45.589 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.815 -26.066 -45.168 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.631 -26.142 -45.194 1.00 0.00 O ATOM 0 H GLU A 32 7.962 -29.971 -47.201 1.00 0.00 H new ATOM 0 HA GLU A 32 10.847 -30.045 -47.637 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.155 -29.239 -45.245 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.895 -29.067 -45.356 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.619 -27.521 -47.303 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.879 -27.696 -47.196 1.00 0.00 H new ATOM 487 N LEU A 33 11.369 -32.262 -46.673 1.00 0.00 N ATOM 488 CA LEU A 33 11.806 -33.566 -46.132 1.00 0.00 C ATOM 489 C LEU A 33 12.800 -33.350 -44.954 1.00 0.00 C ATOM 490 O LEU A 33 13.281 -32.226 -44.769 1.00 0.00 O ATOM 491 CB LEU A 33 12.427 -34.410 -47.307 1.00 0.00 C ATOM 492 CG LEU A 33 11.424 -35.224 -48.195 1.00 0.00 C ATOM 493 CD1 LEU A 33 10.874 -36.443 -47.441 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.273 -34.349 -48.717 1.00 0.00 C ATOM 0 H LEU A 33 11.967 -31.920 -47.425 1.00 0.00 H new ATOM 0 HA LEU A 33 10.961 -34.122 -45.725 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.983 -33.733 -47.955 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.148 -35.108 -46.881 1.00 0.00 H new ATOM 0 HG LEU A 33 11.986 -35.578 -49.059 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.182 -36.986 -48.084 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.698 -37.099 -47.159 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.352 -36.111 -46.544 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.603 -34.955 -49.327 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.720 -33.934 -47.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.678 -33.537 -49.320 1.00 0.00 H new ATOM 506 N PRO A 34 13.095 -34.413 -44.102 1.00 0.00 N ATOM 507 CA PRO A 34 14.047 -34.297 -42.963 1.00 0.00 C ATOM 508 C PRO A 34 15.457 -33.825 -43.395 1.00 0.00 C ATOM 509 O PRO A 34 15.971 -34.213 -44.455 1.00 0.00 O ATOM 510 CB PRO A 34 14.081 -35.730 -42.344 1.00 0.00 C ATOM 511 CG PRO A 34 13.511 -36.622 -43.403 1.00 0.00 C ATOM 512 CD PRO A 34 12.492 -35.776 -44.132 1.00 0.00 C ATOM 0 HA PRO A 34 13.725 -33.537 -42.251 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.098 -36.024 -42.085 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.492 -35.779 -41.428 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.288 -36.973 -44.082 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.047 -37.506 -42.965 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.336 -36.125 -45.153 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.522 -35.798 -43.636 1.00 0.00 H new ATOM 520 N ALA A 35 16.070 -32.995 -42.536 1.00 0.00 N ATOM 521 CA ALA A 35 17.298 -32.249 -42.842 1.00 0.00 C ATOM 522 C ALA A 35 18.289 -32.307 -41.666 1.00 0.00 C ATOM 523 O ALA A 35 17.906 -32.713 -40.564 1.00 0.00 O ATOM 524 CB ALA A 35 16.910 -30.785 -43.127 1.00 0.00 C ATOM 0 H ALA A 35 15.719 -32.822 -41.594 1.00 0.00 H new ATOM 0 HA ALA A 35 17.786 -32.694 -43.709 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.806 -30.209 -43.357 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.227 -30.748 -43.976 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.422 -30.361 -42.250 1.00 0.00 H new ATOM 530 N PRO A 36 19.589 -31.916 -41.892 1.00 0.00 N ATOM 531 CA PRO A 36 20.530 -31.527 -40.794 1.00 0.00 C ATOM 532 C PRO A 36 19.935 -30.434 -39.857 1.00 0.00 C ATOM 533 O PRO A 36 18.953 -29.781 -40.212 1.00 0.00 O ATOM 534 CB PRO A 36 21.767 -30.993 -41.572 1.00 0.00 C ATOM 535 CG PRO A 36 21.731 -31.738 -42.871 1.00 0.00 C ATOM 536 CD PRO A 36 20.267 -31.892 -43.220 1.00 0.00 C ATOM 0 HA PRO A 36 20.758 -32.357 -40.126 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.705 -29.916 -41.728 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.692 -31.184 -41.029 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.263 -31.191 -43.650 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.215 -32.710 -42.777 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.913 -31.065 -43.836 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.083 -32.809 -43.780 1.00 0.00 H new ATOM 544 N SER A 37 20.544 -30.250 -38.676 1.00 0.00 N ATOM 545 CA SER A 37 20.056 -29.310 -37.642 1.00 0.00 C ATOM 546 C SER A 37 20.103 -27.839 -38.134 1.00 0.00 C ATOM 547 O SER A 37 19.176 -27.057 -37.882 1.00 0.00 O ATOM 548 CB SER A 37 20.889 -29.488 -36.341 1.00 0.00 C ATOM 549 OG SER A 37 22.276 -29.300 -36.563 1.00 0.00 O ATOM 0 H SER A 37 21.392 -30.748 -38.405 1.00 0.00 H new ATOM 0 HA SER A 37 19.011 -29.541 -37.433 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.543 -28.777 -35.590 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.720 -30.486 -35.937 1.00 0.00 H new ATOM 0 HG SER A 37 22.761 -29.419 -35.720 1.00 0.00 H new ATOM 555 N SER A 38 21.182 -27.494 -38.858 1.00 0.00 N ATOM 556 CA SER A 38 21.424 -26.127 -39.367 1.00 0.00 C ATOM 557 C SER A 38 20.650 -25.864 -40.673 1.00 0.00 C ATOM 558 O SER A 38 20.125 -24.765 -40.896 1.00 0.00 O ATOM 559 CB SER A 38 22.936 -25.925 -39.597 1.00 0.00 C ATOM 560 OG SER A 38 23.666 -26.213 -38.418 1.00 0.00 O ATOM 0 H SER A 38 21.916 -28.156 -39.109 1.00 0.00 H new ATOM 0 HA SER A 38 21.066 -25.416 -38.622 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.275 -26.571 -40.407 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.127 -24.898 -39.907 1.00 0.00 H new ATOM 0 HG SER A 38 24.623 -26.081 -38.585 1.00 0.00 H new ATOM 566 N TRP A 39 20.577 -26.894 -41.523 1.00 0.00 N ATOM 567 CA TRP A 39 20.002 -26.789 -42.878 1.00 0.00 C ATOM 568 C TRP A 39 18.551 -27.256 -42.895 1.00 0.00 C ATOM 569 O TRP A 39 18.100 -27.946 -41.989 1.00 0.00 O ATOM 570 CB TRP A 39 20.836 -27.618 -43.879 1.00 0.00 C ATOM 571 CG TRP A 39 22.220 -27.071 -44.100 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.264 -27.048 -43.215 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.701 -26.480 -45.304 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.368 -26.493 -43.810 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.045 -26.139 -45.094 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.120 -26.226 -46.546 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.811 -25.551 -46.077 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.881 -25.635 -47.522 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.218 -25.306 -47.288 1.00 0.00 C ATOM 0 H TRP A 39 20.915 -27.829 -41.294 1.00 0.00 H new ATOM 0 HA TRP A 39 20.027 -25.741 -43.175 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.912 -28.643 -43.516 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.312 -27.656 -44.834 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.224 -27.413 -42.199 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.279 -26.365 -43.370 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.090 -26.490 -46.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.844 -25.292 -45.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.440 -25.421 -48.485 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.796 -24.849 -48.077 1.00 0.00 H new ATOM 590 N LYS A 40 17.815 -26.797 -43.904 1.00 0.00 N ATOM 591 CA LYS A 40 16.484 -27.303 -44.242 1.00 0.00 C ATOM 592 C LYS A 40 16.584 -28.030 -45.586 1.00 0.00 C ATOM 593 O LYS A 40 17.452 -27.728 -46.412 1.00 0.00 O ATOM 594 CB LYS A 40 15.419 -26.162 -44.279 1.00 0.00 C ATOM 595 CG LYS A 40 14.769 -25.787 -42.907 1.00 0.00 C ATOM 596 CD LYS A 40 15.228 -24.425 -42.329 1.00 0.00 C ATOM 597 CE LYS A 40 16.715 -24.368 -41.938 1.00 0.00 C ATOM 598 NZ LYS A 40 17.060 -25.313 -40.836 1.00 0.00 N ATOM 0 H LYS A 40 18.131 -26.049 -44.522 1.00 0.00 H new ATOM 0 HA LYS A 40 16.147 -27.996 -43.471 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.887 -25.269 -44.693 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.626 -26.455 -44.967 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.686 -25.771 -43.025 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.999 -26.570 -42.184 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.029 -23.646 -43.065 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.625 -24.195 -41.451 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.325 -24.598 -42.812 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.967 -23.353 -41.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.073 -25.232 -40.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.501 -25.080 -39.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.847 -26.286 -41.134 1.00 0.00 H new ATOM 612 N LYS A 41 15.693 -28.994 -45.777 1.00 0.00 N ATOM 613 CA LYS A 41 15.671 -29.881 -46.948 1.00 0.00 C ATOM 614 C LYS A 41 14.276 -29.817 -47.552 1.00 0.00 C ATOM 615 O LYS A 41 13.288 -30.135 -46.897 1.00 0.00 O ATOM 616 CB LYS A 41 16.061 -31.327 -46.519 1.00 0.00 C ATOM 617 CG LYS A 41 15.588 -32.493 -47.417 1.00 0.00 C ATOM 618 CD LYS A 41 16.145 -32.485 -48.852 1.00 0.00 C ATOM 619 CE LYS A 41 15.700 -33.739 -49.631 1.00 0.00 C ATOM 620 NZ LYS A 41 16.105 -34.983 -48.930 1.00 0.00 N ATOM 0 H LYS A 41 14.946 -29.191 -45.111 1.00 0.00 H new ATOM 0 HA LYS A 41 16.396 -29.567 -47.699 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.148 -31.375 -46.451 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.671 -31.496 -45.515 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.868 -33.433 -46.941 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.499 -32.473 -47.467 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.803 -31.590 -49.372 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.234 -32.440 -48.822 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.617 -33.726 -49.757 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.137 -33.723 -50.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.993 -35.795 -49.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.100 -34.908 -48.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.506 -35.119 -48.091 1.00 0.00 H new ATOM 634 N LEU A 42 14.231 -29.374 -48.797 1.00 0.00 N ATOM 635 CA LEU A 42 13.034 -29.336 -49.619 1.00 0.00 C ATOM 636 C LEU A 42 13.221 -30.296 -50.803 1.00 0.00 C ATOM 637 O LEU A 42 14.321 -30.450 -51.335 1.00 0.00 O ATOM 638 CB LEU A 42 12.758 -27.863 -50.074 1.00 0.00 C ATOM 639 CG LEU A 42 11.651 -27.654 -51.177 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.883 -26.329 -50.996 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.256 -27.712 -52.594 1.00 0.00 C ATOM 0 H LEU A 42 15.056 -29.018 -49.280 1.00 0.00 H new ATOM 0 HA LEU A 42 12.160 -29.664 -49.056 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.475 -27.284 -49.195 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.692 -27.442 -50.446 1.00 0.00 H new ATOM 0 HG LEU A 42 10.942 -28.473 -51.056 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.133 -26.233 -51.781 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.393 -26.323 -50.022 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.580 -25.493 -51.057 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.468 -27.565 -53.332 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.006 -26.928 -52.702 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.723 -28.684 -52.751 1.00 0.00 H new ATOM 653 N PHE A 43 12.114 -30.921 -51.186 1.00 0.00 N ATOM 654 CA PHE A 43 12.000 -31.800 -52.344 1.00 0.00 C ATOM 655 C PHE A 43 10.764 -31.377 -53.156 1.00 0.00 C ATOM 656 O PHE A 43 9.689 -31.207 -52.581 1.00 0.00 O ATOM 657 CB PHE A 43 11.892 -33.261 -51.826 1.00 0.00 C ATOM 658 CG PHE A 43 11.458 -34.303 -52.853 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.227 -34.548 -53.984 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.276 -35.039 -52.687 1.00 0.00 C ATOM 661 CE1 PHE A 43 11.834 -35.486 -54.909 1.00 0.00 C ATOM 662 CE2 PHE A 43 9.891 -35.981 -53.620 1.00 0.00 C ATOM 663 CZ PHE A 43 10.671 -36.203 -54.734 1.00 0.00 C ATOM 0 H PHE A 43 11.235 -30.825 -50.677 1.00 0.00 H new ATOM 0 HA PHE A 43 12.869 -31.732 -52.999 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.862 -33.556 -51.425 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.185 -33.280 -50.997 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.142 -33.996 -54.138 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.659 -34.867 -51.818 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.444 -35.663 -55.783 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.980 -36.543 -53.477 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.371 -36.937 -55.468 1.00 0.00 H new ATOM 673 N TYR A 44 10.935 -31.165 -54.473 1.00 0.00 N ATOM 674 CA TYR A 44 9.811 -30.952 -55.411 1.00 0.00 C ATOM 675 C TYR A 44 9.321 -32.334 -55.927 1.00 0.00 C ATOM 676 O TYR A 44 10.018 -32.970 -56.725 1.00 0.00 O ATOM 677 CB TYR A 44 10.247 -30.058 -56.611 1.00 0.00 C ATOM 678 CG TYR A 44 10.265 -28.536 -56.372 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.392 -27.885 -55.879 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.143 -27.746 -56.658 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.399 -26.511 -55.674 1.00 0.00 C ATOM 682 CE2 TYR A 44 9.148 -26.380 -56.455 1.00 0.00 C ATOM 683 CZ TYR A 44 10.274 -25.767 -55.964 1.00 0.00 C ATOM 684 OH TYR A 44 10.275 -24.405 -55.755 1.00 0.00 O ATOM 0 H TYR A 44 11.852 -31.136 -54.919 1.00 0.00 H new ATOM 0 HA TYR A 44 9.003 -30.439 -54.889 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.247 -30.366 -56.918 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.579 -30.263 -57.448 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.278 -28.459 -55.651 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.252 -28.217 -57.047 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.284 -26.026 -55.288 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.269 -25.796 -56.682 1.00 0.00 H new ATOM 0 HH TYR A 44 9.405 -24.034 -56.012 1.00 0.00 H new ATOM 694 N PRO A 45 8.144 -32.846 -55.448 1.00 0.00 N ATOM 695 CA PRO A 45 7.531 -34.078 -55.986 1.00 0.00 C ATOM 696 C PRO A 45 6.786 -33.826 -57.313 1.00 0.00 C ATOM 697 O PRO A 45 6.400 -32.688 -57.625 1.00 0.00 O ATOM 698 CB PRO A 45 6.557 -34.495 -54.855 1.00 0.00 C ATOM 699 CG PRO A 45 6.121 -33.195 -54.254 1.00 0.00 C ATOM 700 CD PRO A 45 7.335 -32.289 -54.330 1.00 0.00 C ATOM 0 HA PRO A 45 8.265 -34.845 -56.232 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.709 -35.058 -55.246 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.049 -35.130 -54.118 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.280 -32.771 -54.802 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.795 -33.329 -53.223 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.048 -31.256 -54.524 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.894 -32.294 -53.394 1.00 0.00 H new ATOM 852 N GLU A 55 14.184 -30.745 -59.294 1.00 0.00 N ATOM 853 CA GLU A 55 15.172 -31.372 -58.385 1.00 0.00 C ATOM 854 C GLU A 55 15.142 -30.771 -56.952 1.00 0.00 C ATOM 855 O GLU A 55 14.349 -29.865 -56.650 1.00 0.00 O ATOM 856 CB GLU A 55 16.604 -31.303 -59.007 1.00 0.00 C ATOM 857 CG GLU A 55 17.152 -29.883 -59.310 1.00 0.00 C ATOM 858 CD GLU A 55 16.591 -29.250 -60.600 1.00 0.00 C ATOM 859 OE1 GLU A 55 15.706 -28.374 -60.518 1.00 0.00 O ATOM 860 OE2 GLU A 55 17.014 -29.650 -61.701 1.00 0.00 O ATOM 0 HA GLU A 55 14.890 -32.419 -58.275 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.297 -31.800 -58.328 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.602 -31.875 -59.935 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.922 -29.230 -58.468 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.238 -29.934 -59.386 1.00 0.00 H new ATOM 867 N VAL A 56 16.047 -31.280 -56.088 1.00 0.00 N ATOM 868 CA VAL A 56 16.066 -31.002 -54.639 1.00 0.00 C ATOM 869 C VAL A 56 16.779 -29.665 -54.327 1.00 0.00 C ATOM 870 O VAL A 56 17.793 -29.334 -54.944 1.00 0.00 O ATOM 871 CB VAL A 56 16.789 -32.192 -53.891 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.042 -31.884 -52.395 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.003 -33.524 -54.064 1.00 0.00 C ATOM 0 H VAL A 56 16.796 -31.905 -56.385 1.00 0.00 H new ATOM 0 HA VAL A 56 15.037 -30.914 -54.290 1.00 0.00 H new ATOM 0 HB VAL A 56 17.767 -32.309 -54.358 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.541 -32.733 -51.928 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.673 -31.000 -52.307 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.091 -31.702 -51.895 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.524 -34.325 -53.539 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.001 -33.411 -53.651 1.00 0.00 H new ATOM 0 HG23 VAL A 56 15.933 -33.770 -55.124 1.00 0.00 H new ATOM 883 N VAL A 57 16.229 -28.912 -53.354 1.00 0.00 N ATOM 884 CA VAL A 57 16.802 -27.640 -52.869 1.00 0.00 C ATOM 885 C VAL A 57 17.062 -27.753 -51.354 1.00 0.00 C ATOM 886 O VAL A 57 16.179 -28.166 -50.607 1.00 0.00 O ATOM 887 CB VAL A 57 15.831 -26.422 -53.153 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.420 -25.070 -52.646 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.464 -26.347 -54.659 1.00 0.00 C ATOM 0 H VAL A 57 15.365 -29.172 -52.878 1.00 0.00 H new ATOM 0 HA VAL A 57 17.735 -27.455 -53.401 1.00 0.00 H new ATOM 0 HB VAL A 57 14.916 -26.599 -52.588 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.719 -24.264 -52.863 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.587 -25.126 -51.570 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.366 -24.873 -53.150 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.796 -25.502 -54.829 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.371 -26.217 -55.249 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.966 -27.269 -54.959 1.00 0.00 H new ATOM 899 N PHE A 58 18.286 -27.422 -50.920 1.00 0.00 N ATOM 900 CA PHE A 58 18.635 -27.305 -49.488 1.00 0.00 C ATOM 901 C PHE A 58 18.678 -25.824 -49.089 1.00 0.00 C ATOM 902 O PHE A 58 19.431 -25.050 -49.672 1.00 0.00 O ATOM 903 CB PHE A 58 20.008 -27.979 -49.181 1.00 0.00 C ATOM 904 CG PHE A 58 19.919 -29.457 -48.804 1.00 0.00 C ATOM 905 CD1 PHE A 58 19.867 -30.448 -49.778 1.00 0.00 C ATOM 906 CD2 PHE A 58 19.887 -29.851 -47.462 1.00 0.00 C ATOM 907 CE1 PHE A 58 19.792 -31.782 -49.430 1.00 0.00 C ATOM 908 CE2 PHE A 58 19.811 -31.185 -47.115 1.00 0.00 C ATOM 909 CZ PHE A 58 19.765 -32.148 -48.098 1.00 0.00 C ATOM 0 H PHE A 58 19.066 -27.227 -51.548 1.00 0.00 H new ATOM 0 HA PHE A 58 17.871 -27.821 -48.906 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.651 -27.878 -50.055 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.490 -27.438 -48.367 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.886 -30.170 -50.822 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.922 -29.101 -46.686 1.00 0.00 H new ATOM 0 HE1 PHE A 58 19.754 -32.539 -50.199 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.788 -31.473 -46.074 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.708 -33.192 -47.827 1.00 0.00 H new ATOM 919 N VAL A 59 17.880 -25.448 -48.084 1.00 0.00 N ATOM 920 CA VAL A 59 17.897 -24.096 -47.513 1.00 0.00 C ATOM 921 C VAL A 59 19.087 -23.972 -46.542 1.00 0.00 C ATOM 922 O VAL A 59 19.269 -24.809 -45.648 1.00 0.00 O ATOM 923 CB VAL A 59 16.524 -23.764 -46.799 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.675 -22.748 -45.631 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.478 -23.269 -47.824 1.00 0.00 C ATOM 0 H VAL A 59 17.204 -26.072 -47.643 1.00 0.00 H new ATOM 0 HA VAL A 59 18.020 -23.366 -48.313 1.00 0.00 H new ATOM 0 HB VAL A 59 16.173 -24.696 -46.356 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.699 -22.562 -45.182 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.349 -23.157 -44.878 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.083 -21.812 -46.013 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.542 -23.047 -47.311 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.846 -22.367 -48.313 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.307 -24.043 -48.572 1.00 0.00 H new ATOM 935 N ALA A 60 19.870 -22.904 -46.743 1.00 0.00 N ATOM 936 CA ALA A 60 21.099 -22.633 -45.985 1.00 0.00 C ATOM 937 C ALA A 60 20.794 -21.924 -44.653 1.00 0.00 C ATOM 938 O ALA A 60 19.775 -21.230 -44.547 1.00 0.00 O ATOM 939 CB ALA A 60 22.057 -21.786 -46.838 1.00 0.00 C ATOM 0 H ALA A 60 19.665 -22.194 -47.446 1.00 0.00 H new ATOM 0 HA ALA A 60 21.573 -23.586 -45.748 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.968 -21.587 -46.273 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.307 -22.327 -47.750 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.576 -20.842 -47.096 1.00 0.00 H new ATOM 945 N PRO A 61 21.694 -22.068 -43.618 1.00 0.00 N ATOM 946 CA PRO A 61 21.540 -21.384 -42.303 1.00 0.00 C ATOM 947 C PRO A 61 21.569 -19.838 -42.405 1.00 0.00 C ATOM 948 O PRO A 61 21.064 -19.148 -41.518 1.00 0.00 O ATOM 949 CB PRO A 61 22.748 -21.925 -41.479 1.00 0.00 C ATOM 950 CG PRO A 61 23.740 -22.373 -42.511 1.00 0.00 C ATOM 951 CD PRO A 61 22.908 -22.942 -43.628 1.00 0.00 C ATOM 0 HA PRO A 61 20.571 -21.591 -41.849 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.167 -21.151 -40.836 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.449 -22.750 -40.832 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.351 -21.540 -42.859 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.421 -23.121 -42.105 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.430 -22.898 -44.584 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.655 -23.987 -43.451 1.00 0.00 H new ATOM 959 N THR A 62 22.178 -19.303 -43.486 1.00 0.00 N ATOM 960 CA THR A 62 22.240 -17.842 -43.739 1.00 0.00 C ATOM 961 C THR A 62 21.176 -17.390 -44.764 1.00 0.00 C ATOM 962 O THR A 62 21.004 -16.184 -44.999 1.00 0.00 O ATOM 963 CB THR A 62 23.666 -17.416 -44.225 1.00 0.00 C ATOM 964 OG1 THR A 62 23.753 -15.986 -44.349 1.00 0.00 O ATOM 965 CG2 THR A 62 24.043 -18.062 -45.566 1.00 0.00 C ATOM 0 H THR A 62 22.637 -19.864 -44.203 1.00 0.00 H new ATOM 0 HA THR A 62 22.027 -17.347 -42.792 1.00 0.00 H new ATOM 0 HB THR A 62 24.369 -17.767 -43.470 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.877 -15.626 -44.601 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.040 -17.735 -45.860 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.032 -19.147 -45.463 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.324 -17.763 -46.329 1.00 0.00 H new ATOM 973 N GLY A 63 20.477 -18.361 -45.374 1.00 0.00 N ATOM 974 CA GLY A 63 19.446 -18.073 -46.378 1.00 0.00 C ATOM 975 C GLY A 63 19.958 -18.112 -47.820 1.00 0.00 C ATOM 976 O GLY A 63 19.168 -17.961 -48.757 1.00 0.00 O ATOM 0 H GLY A 63 20.610 -19.355 -45.187 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.636 -18.795 -46.271 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.024 -17.088 -46.179 1.00 0.00 H new ATOM 980 N GLU A 64 21.280 -18.313 -47.999 1.00 0.00 N ATOM 981 CA GLU A 64 21.903 -18.486 -49.332 1.00 0.00 C ATOM 982 C GLU A 64 21.662 -19.930 -49.817 1.00 0.00 C ATOM 983 O GLU A 64 22.553 -20.790 -49.748 1.00 0.00 O ATOM 984 CB GLU A 64 23.422 -18.156 -49.257 1.00 0.00 C ATOM 985 CG GLU A 64 24.166 -18.184 -50.606 1.00 0.00 C ATOM 986 CD GLU A 64 25.667 -17.907 -50.447 1.00 0.00 C ATOM 987 OE1 GLU A 64 26.464 -18.866 -50.373 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.058 -16.727 -50.372 1.00 0.00 O ATOM 0 H GLU A 64 21.946 -18.360 -47.228 1.00 0.00 H new ATOM 0 HA GLU A 64 21.452 -17.799 -50.048 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.541 -17.167 -48.815 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.899 -18.867 -48.582 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.026 -19.157 -51.076 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.730 -17.442 -51.275 1.00 0.00 H new ATOM 995 N GLU A 65 20.421 -20.193 -50.260 1.00 0.00 N ATOM 996 CA GLU A 65 19.938 -21.554 -50.535 1.00 0.00 C ATOM 997 C GLU A 65 20.662 -22.179 -51.739 1.00 0.00 C ATOM 998 O GLU A 65 21.212 -21.487 -52.604 1.00 0.00 O ATOM 999 CB GLU A 65 18.397 -21.564 -50.738 1.00 0.00 C ATOM 1000 CG GLU A 65 17.908 -20.784 -51.973 1.00 0.00 C ATOM 1001 CD GLU A 65 16.377 -20.715 -52.088 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.770 -19.824 -51.457 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.777 -21.541 -52.804 1.00 0.00 O ATOM 0 H GLU A 65 19.726 -19.468 -50.437 1.00 0.00 H new ATOM 0 HA GLU A 65 20.168 -22.168 -49.665 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.061 -22.598 -50.821 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.924 -21.146 -49.850 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.308 -19.771 -51.934 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.311 -21.252 -52.871 1.00 0.00 H new ATOM 1010 N ILE A 66 20.634 -23.503 -51.764 1.00 0.00 N ATOM 1011 CA ILE A 66 21.392 -24.339 -52.681 1.00 0.00 C ATOM 1012 C ILE A 66 20.415 -25.117 -53.564 1.00 0.00 C ATOM 1013 O ILE A 66 19.612 -25.900 -53.053 1.00 0.00 O ATOM 1014 CB ILE A 66 22.282 -25.336 -51.864 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.312 -24.578 -50.952 1.00 0.00 C ATOM 1016 CG2 ILE A 66 22.970 -26.358 -52.782 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.234 -23.602 -51.664 1.00 0.00 C ATOM 0 H ILE A 66 20.059 -24.046 -51.120 1.00 0.00 H new ATOM 0 HA ILE A 66 22.035 -23.719 -53.306 1.00 0.00 H new ATOM 0 HB ILE A 66 21.622 -25.895 -51.201 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.759 -24.033 -50.187 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.925 -25.317 -50.437 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.579 -27.034 -52.182 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.214 -26.931 -53.319 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.605 -25.835 -53.497 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.902 -23.137 -50.939 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.823 -24.136 -52.409 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.639 -22.832 -52.155 1.00 0.00 H new ATOM 1029 N SER A 67 20.505 -24.915 -54.877 1.00 0.00 N ATOM 1030 CA SER A 67 19.595 -25.530 -55.852 1.00 0.00 C ATOM 1031 C SER A 67 20.098 -26.903 -56.338 1.00 0.00 C ATOM 1032 O SER A 67 19.309 -27.699 -56.865 1.00 0.00 O ATOM 1033 CB SER A 67 19.423 -24.561 -57.039 1.00 0.00 C ATOM 1034 OG SER A 67 20.669 -24.108 -57.526 1.00 0.00 O ATOM 0 H SER A 67 21.214 -24.317 -55.301 1.00 0.00 H new ATOM 0 HA SER A 67 18.635 -25.710 -55.367 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.878 -25.060 -57.840 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.821 -23.707 -56.728 1.00 0.00 H new ATOM 0 HG SER A 67 21.139 -24.849 -57.962 1.00 0.00 H new ATOM 1040 N ASN A 68 21.411 -27.169 -56.172 1.00 0.00 N ATOM 1041 CA ASN A 68 22.046 -28.402 -56.692 1.00 0.00 C ATOM 1042 C ASN A 68 23.349 -28.732 -55.938 1.00 0.00 C ATOM 1043 O ASN A 68 23.937 -27.872 -55.284 1.00 0.00 O ATOM 1044 CB ASN A 68 22.305 -28.285 -58.220 1.00 0.00 C ATOM 1045 CG ASN A 68 23.080 -27.022 -58.590 1.00 0.00 C ATOM 1046 OD1 ASN A 68 22.491 -26.003 -58.951 1.00 0.00 O ATOM 1047 ND2 ASN A 68 24.395 -27.062 -58.465 1.00 0.00 N ATOM 0 H ASN A 68 22.054 -26.547 -55.682 1.00 0.00 H new ATOM 0 HA ASN A 68 21.353 -29.226 -56.522 1.00 0.00 H new ATOM 0 HB2 ASN A 68 22.860 -29.160 -58.559 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.351 -28.289 -58.748 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.952 -26.233 -58.670 1.00 0.00 H new ATOM 0 HD22 ASN A 68 24.853 -27.922 -58.164 1.00 0.00 H new ATOM 1054 N ARG A 69 23.816 -29.975 -56.131 1.00 0.00 N ATOM 1055 CA ARG A 69 24.888 -30.619 -55.334 1.00 0.00 C ATOM 1056 C ARG A 69 26.212 -29.824 -55.345 1.00 0.00 C ATOM 1057 O ARG A 69 26.881 -29.714 -54.318 1.00 0.00 O ATOM 1058 CB ARG A 69 25.156 -32.028 -55.904 1.00 0.00 C ATOM 1059 CG ARG A 69 26.012 -32.942 -55.002 1.00 0.00 C ATOM 1060 CD ARG A 69 26.546 -34.177 -55.738 1.00 0.00 C ATOM 1061 NE ARG A 69 25.488 -34.925 -56.437 1.00 0.00 N ATOM 1062 CZ ARG A 69 25.651 -36.084 -57.087 1.00 0.00 C ATOM 1063 NH1 ARG A 69 26.837 -36.691 -57.136 1.00 0.00 N ATOM 1064 NH2 ARG A 69 24.615 -36.618 -57.710 1.00 0.00 N ATOM 0 H ARG A 69 23.452 -30.583 -56.865 1.00 0.00 H new ATOM 0 HA ARG A 69 24.540 -30.660 -54.302 1.00 0.00 H new ATOM 0 HB2 ARG A 69 24.200 -32.517 -56.089 1.00 0.00 H new ATOM 0 HB3 ARG A 69 25.653 -31.925 -56.869 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.851 -32.370 -54.606 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.415 -33.264 -54.149 1.00 0.00 H new ATOM 0 HD2 ARG A 69 27.302 -33.866 -56.459 1.00 0.00 H new ATOM 0 HD3 ARG A 69 27.039 -34.836 -55.023 1.00 0.00 H new ATOM 0 HE ARG A 69 24.550 -34.526 -56.425 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.644 -36.273 -56.672 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.938 -37.574 -57.637 1.00 0.00 H new ATOM 0 HH21 ARG A 69 23.710 -36.148 -57.690 1.00 0.00 H new ATOM 0 HH22 ARG A 69 24.720 -37.501 -58.210 1.00 0.00 H new ATOM 1078 N LYS A 70 26.575 -29.315 -56.537 1.00 0.00 N ATOM 1079 CA LYS A 70 27.815 -28.526 -56.760 1.00 0.00 C ATOM 1080 C LYS A 70 27.881 -27.342 -55.788 1.00 0.00 C ATOM 1081 O LYS A 70 28.889 -27.133 -55.110 1.00 0.00 O ATOM 1082 CB LYS A 70 27.882 -28.031 -58.247 1.00 0.00 C ATOM 1083 CG LYS A 70 29.219 -27.356 -58.693 1.00 0.00 C ATOM 1084 CD LYS A 70 29.290 -25.834 -58.385 1.00 0.00 C ATOM 1085 CE LYS A 70 30.645 -25.215 -58.750 1.00 0.00 C ATOM 1086 NZ LYS A 70 31.741 -25.846 -57.981 1.00 0.00 N ATOM 0 H LYS A 70 26.017 -29.437 -57.382 1.00 0.00 H new ATOM 0 HA LYS A 70 28.676 -29.167 -56.571 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.695 -28.883 -58.900 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.070 -27.322 -58.408 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.050 -27.856 -58.196 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.351 -27.506 -59.765 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.501 -25.320 -58.934 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.096 -25.673 -57.324 1.00 0.00 H new ATOM 0 HE2 LYS A 70 30.828 -25.336 -59.818 1.00 0.00 H new ATOM 0 HE3 LYS A 70 30.625 -24.144 -58.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 32.591 -25.248 -58.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.452 -25.951 -56.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.951 -26.783 -58.381 1.00 0.00 H new ATOM 1100 N GLN A 71 26.763 -26.589 -55.738 1.00 0.00 N ATOM 1101 CA GLN A 71 26.612 -25.393 -54.888 1.00 0.00 C ATOM 1102 C GLN A 71 26.737 -25.749 -53.398 1.00 0.00 C ATOM 1103 O GLN A 71 27.245 -24.960 -52.616 1.00 0.00 O ATOM 1104 CB GLN A 71 25.259 -24.710 -55.167 1.00 0.00 C ATOM 1105 CG GLN A 71 25.113 -24.126 -56.577 1.00 0.00 C ATOM 1106 CD GLN A 71 23.738 -23.511 -56.838 1.00 0.00 C ATOM 1107 OE1 GLN A 71 23.041 -23.082 -55.914 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.349 -23.435 -58.098 1.00 0.00 N ATOM 0 H GLN A 71 25.933 -26.797 -56.292 1.00 0.00 H new ATOM 0 HA GLN A 71 27.416 -24.699 -55.134 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.461 -25.435 -55.005 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.115 -23.910 -54.441 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.878 -23.365 -56.728 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.296 -24.912 -57.309 1.00 0.00 H new ATOM 0 HE21 GLN A 71 23.948 -23.799 -58.839 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.450 -23.013 -58.330 1.00 0.00 H new ATOM 1117 N LEU A 72 26.285 -26.962 -53.041 1.00 0.00 N ATOM 1118 CA LEU A 72 26.344 -27.479 -51.658 1.00 0.00 C ATOM 1119 C LEU A 72 27.827 -27.669 -51.245 1.00 0.00 C ATOM 1120 O LEU A 72 28.261 -27.171 -50.212 1.00 0.00 O ATOM 1121 CB LEU A 72 25.540 -28.828 -51.569 1.00 0.00 C ATOM 1122 CG LEU A 72 24.925 -29.244 -50.188 1.00 0.00 C ATOM 1123 CD1 LEU A 72 25.983 -29.453 -49.109 1.00 0.00 C ATOM 1124 CD2 LEU A 72 23.842 -28.249 -49.733 1.00 0.00 C ATOM 0 H LEU A 72 25.867 -27.616 -53.703 1.00 0.00 H new ATOM 0 HA LEU A 72 25.888 -26.769 -50.968 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.726 -28.777 -52.292 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.203 -29.631 -51.892 1.00 0.00 H new ATOM 0 HG LEU A 72 24.447 -30.212 -50.341 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.499 -29.739 -48.175 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.668 -30.242 -49.419 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.539 -28.527 -48.960 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.436 -28.567 -48.773 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.280 -27.256 -49.631 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.042 -28.219 -50.473 1.00 0.00 H new ATOM 1136 N GLU A 73 28.586 -28.368 -52.101 1.00 0.00 N ATOM 1137 CA GLU A 73 29.989 -28.755 -51.841 1.00 0.00 C ATOM 1138 C GLU A 73 30.924 -27.521 -51.776 1.00 0.00 C ATOM 1139 O GLU A 73 31.763 -27.412 -50.863 1.00 0.00 O ATOM 1140 CB GLU A 73 30.431 -29.747 -52.945 1.00 0.00 C ATOM 1141 CG GLU A 73 29.542 -31.006 -53.033 1.00 0.00 C ATOM 1142 CD GLU A 73 29.848 -31.882 -54.256 1.00 0.00 C ATOM 1143 OE1 GLU A 73 29.335 -31.585 -55.360 1.00 0.00 O ATOM 1144 OE2 GLU A 73 30.613 -32.861 -54.129 1.00 0.00 O ATOM 0 H GLU A 73 28.242 -28.687 -53.007 1.00 0.00 H new ATOM 0 HA GLU A 73 30.058 -29.236 -50.865 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.420 -29.236 -53.908 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.461 -30.051 -52.758 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.674 -31.599 -52.128 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.496 -30.702 -53.065 1.00 0.00 H new ATOM 1151 N GLN A 74 30.739 -26.581 -52.732 1.00 0.00 N ATOM 1152 CA GLN A 74 31.519 -25.322 -52.782 1.00 0.00 C ATOM 1153 C GLN A 74 31.156 -24.404 -51.593 1.00 0.00 C ATOM 1154 O GLN A 74 31.976 -23.586 -51.157 1.00 0.00 O ATOM 1155 CB GLN A 74 31.351 -24.599 -54.169 1.00 0.00 C ATOM 1156 CG GLN A 74 29.925 -24.114 -54.553 1.00 0.00 C ATOM 1157 CD GLN A 74 29.514 -22.723 -54.030 1.00 0.00 C ATOM 1158 OE1 GLN A 74 28.933 -22.585 -52.959 1.00 0.00 O ATOM 1159 NE2 GLN A 74 29.826 -21.683 -54.784 1.00 0.00 N ATOM 0 H GLN A 74 30.054 -26.671 -53.482 1.00 0.00 H new ATOM 0 HA GLN A 74 32.576 -25.570 -52.686 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.016 -23.735 -54.182 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.697 -25.279 -54.948 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.847 -24.108 -55.640 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.204 -24.845 -54.186 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.309 -21.823 -55.671 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.583 -20.741 -54.479 1.00 0.00 H new ATOM 1168 N TYR A 75 29.920 -24.559 -51.079 1.00 0.00 N ATOM 1169 CA TYR A 75 29.438 -23.829 -49.896 1.00 0.00 C ATOM 1170 C TYR A 75 30.169 -24.328 -48.639 1.00 0.00 C ATOM 1171 O TYR A 75 30.659 -23.529 -47.859 1.00 0.00 O ATOM 1172 CB TYR A 75 27.902 -24.015 -49.763 1.00 0.00 C ATOM 1173 CG TYR A 75 27.194 -23.146 -48.713 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.420 -22.044 -49.086 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.266 -23.453 -47.355 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.746 -21.293 -48.145 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.603 -22.698 -46.416 1.00 0.00 C ATOM 1178 CZ TYR A 75 25.845 -21.625 -46.812 1.00 0.00 C ATOM 1179 OH TYR A 75 25.163 -20.900 -45.872 1.00 0.00 O ATOM 0 H TYR A 75 29.229 -25.196 -51.475 1.00 0.00 H new ATOM 0 HA TYR A 75 29.648 -22.765 -50.008 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.449 -23.814 -50.734 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.704 -25.061 -49.529 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.348 -21.775 -50.130 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.854 -24.300 -47.034 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.145 -20.450 -48.452 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.679 -22.949 -45.368 1.00 0.00 H new ATOM 0 HH TYR A 75 25.342 -21.268 -44.982 1.00 0.00 H new ATOM 1189 N LEU A 76 30.260 -25.662 -48.478 1.00 0.00 N ATOM 1190 CA LEU A 76 30.793 -26.297 -47.243 1.00 0.00 C ATOM 1191 C LEU A 76 32.305 -26.093 -47.067 1.00 0.00 C ATOM 1192 O LEU A 76 32.800 -26.119 -45.939 1.00 0.00 O ATOM 1193 CB LEU A 76 30.481 -27.805 -47.221 1.00 0.00 C ATOM 1194 CG LEU A 76 28.979 -28.199 -47.251 1.00 0.00 C ATOM 1195 CD1 LEU A 76 28.834 -29.723 -47.143 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.159 -27.458 -46.167 1.00 0.00 C ATOM 0 H LEU A 76 29.970 -26.331 -49.191 1.00 0.00 H new ATOM 0 HA LEU A 76 30.291 -25.800 -46.412 1.00 0.00 H new ATOM 0 HB2 LEU A 76 30.973 -28.268 -48.076 1.00 0.00 H new ATOM 0 HB3 LEU A 76 30.929 -28.234 -46.325 1.00 0.00 H new ATOM 0 HG LEU A 76 28.564 -27.883 -48.208 1.00 0.00 H new ATOM 0 HD11 LEU A 76 27.778 -29.990 -47.165 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.346 -30.197 -47.980 1.00 0.00 H new ATOM 0 HD13 LEU A 76 29.276 -30.065 -46.207 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.115 -27.766 -46.227 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.554 -27.703 -45.181 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.230 -26.382 -46.329 1.00 0.00 H new ATOM 1208 N LYS A 77 33.043 -25.944 -48.179 1.00 0.00 N ATOM 1209 CA LYS A 77 34.477 -25.602 -48.108 1.00 0.00 C ATOM 1210 C LYS A 77 34.631 -24.105 -47.751 1.00 0.00 C ATOM 1211 O LYS A 77 35.534 -23.727 -47.003 1.00 0.00 O ATOM 1212 CB LYS A 77 35.210 -25.944 -49.427 1.00 0.00 C ATOM 1213 CG LYS A 77 34.755 -25.119 -50.648 1.00 0.00 C ATOM 1214 CD LYS A 77 35.595 -25.398 -51.896 1.00 0.00 C ATOM 1215 CE LYS A 77 35.227 -24.493 -53.084 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.988 -24.852 -54.301 1.00 0.00 N ATOM 0 H LYS A 77 32.679 -26.053 -49.126 1.00 0.00 H new ATOM 0 HA LYS A 77 34.942 -26.203 -47.326 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.280 -25.794 -49.282 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.063 -27.002 -49.645 1.00 0.00 H new ATOM 0 HG2 LYS A 77 33.709 -25.341 -50.862 1.00 0.00 H new ATOM 0 HG3 LYS A 77 34.813 -24.058 -50.406 1.00 0.00 H new ATOM 0 HD2 LYS A 77 36.649 -25.261 -51.655 1.00 0.00 H new ATOM 0 HD3 LYS A 77 35.467 -26.440 -52.187 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.159 -24.573 -53.286 1.00 0.00 H new ATOM 0 HE3 LYS A 77 35.425 -23.453 -52.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.714 -24.221 -55.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 37.006 -24.751 -54.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 35.780 -25.837 -54.563 1.00 0.00 H new ATOM 1230 N SER A 78 33.711 -23.264 -48.280 1.00 0.00 N ATOM 1231 CA SER A 78 33.657 -21.811 -47.979 1.00 0.00 C ATOM 1232 C SER A 78 33.107 -21.557 -46.559 1.00 0.00 C ATOM 1233 O SER A 78 33.313 -20.484 -45.983 1.00 0.00 O ATOM 1234 CB SER A 78 32.766 -21.093 -49.030 1.00 0.00 C ATOM 1235 OG SER A 78 32.732 -19.681 -48.839 1.00 0.00 O ATOM 0 H SER A 78 32.985 -23.572 -48.927 1.00 0.00 H new ATOM 0 HA SER A 78 34.670 -21.412 -48.025 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.140 -21.313 -50.030 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.752 -21.489 -48.974 1.00 0.00 H new ATOM 0 HG SER A 78 32.161 -19.272 -49.523 1.00 0.00 H new ATOM 1241 N HIS A 79 32.396 -22.561 -46.020 1.00 0.00 N ATOM 1242 CA HIS A 79 31.736 -22.501 -44.701 1.00 0.00 C ATOM 1243 C HIS A 79 31.983 -23.843 -43.971 1.00 0.00 C ATOM 1244 O HIS A 79 31.094 -24.709 -43.947 1.00 0.00 O ATOM 1245 CB HIS A 79 30.207 -22.233 -44.849 1.00 0.00 C ATOM 1246 CG HIS A 79 29.854 -20.999 -45.647 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.583 -21.032 -47.001 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.740 -19.705 -45.284 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.320 -19.818 -47.428 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.404 -18.993 -46.406 1.00 0.00 N ATOM 0 H HIS A 79 32.260 -23.453 -46.495 1.00 0.00 H new ATOM 0 HA HIS A 79 32.154 -21.677 -44.123 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.745 -23.099 -45.322 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.770 -22.143 -43.854 1.00 0.00 H new ATOM 0 HD1 HIS A 79 29.587 -21.871 -47.581 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.886 -19.304 -44.292 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.077 -19.544 -48.444 1.00 0.00 H new ATOM 1259 N PRO A 80 33.226 -24.072 -43.415 1.00 0.00 N ATOM 1260 CA PRO A 80 33.586 -25.346 -42.721 1.00 0.00 C ATOM 1261 C PRO A 80 32.821 -25.553 -41.398 1.00 0.00 C ATOM 1262 O PRO A 80 32.757 -26.673 -40.877 1.00 0.00 O ATOM 1263 CB PRO A 80 35.112 -25.199 -42.485 1.00 0.00 C ATOM 1264 CG PRO A 80 35.347 -23.718 -42.441 1.00 0.00 C ATOM 1265 CD PRO A 80 34.384 -23.131 -43.450 1.00 0.00 C ATOM 0 HA PRO A 80 33.319 -26.223 -43.310 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.417 -25.677 -41.554 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.684 -25.668 -43.286 1.00 0.00 H new ATOM 0 HG2 PRO A 80 35.162 -23.320 -41.443 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.379 -23.476 -42.695 1.00 0.00 H new ATOM 0 HD2 PRO A 80 34.086 -22.118 -43.179 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.828 -23.077 -44.444 1.00 0.00 H new ATOM 1273 N GLY A 81 32.232 -24.459 -40.878 1.00 0.00 N ATOM 1274 CA GLY A 81 31.384 -24.506 -39.688 1.00 0.00 C ATOM 1275 C GLY A 81 30.039 -25.191 -39.941 1.00 0.00 C ATOM 1276 O GLY A 81 29.332 -25.541 -38.993 1.00 0.00 O ATOM 0 H GLY A 81 32.335 -23.525 -41.275 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.911 -25.034 -38.893 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.208 -23.490 -39.333 1.00 0.00 H new ATOM 1280 N ASN A 82 29.686 -25.371 -41.231 1.00 0.00 N ATOM 1281 CA ASN A 82 28.469 -26.084 -41.660 1.00 0.00 C ATOM 1282 C ASN A 82 28.793 -27.569 -41.948 1.00 0.00 C ATOM 1283 O ASN A 82 29.896 -27.873 -42.415 1.00 0.00 O ATOM 1284 CB ASN A 82 27.846 -25.381 -42.903 1.00 0.00 C ATOM 1285 CG ASN A 82 27.260 -24.001 -42.587 1.00 0.00 C ATOM 1286 OD1 ASN A 82 27.333 -23.085 -43.393 1.00 0.00 O ATOM 1287 ND2 ASN A 82 26.632 -23.851 -41.427 1.00 0.00 N ATOM 0 H ASN A 82 30.244 -25.021 -42.010 1.00 0.00 H new ATOM 0 HA ASN A 82 27.733 -26.055 -40.857 1.00 0.00 H new ATOM 0 HB2 ASN A 82 28.610 -25.276 -43.674 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.062 -26.016 -43.316 1.00 0.00 H new ATOM 0 HD21 ASN A 82 26.198 -22.958 -41.194 1.00 0.00 H new ATOM 0 HD22 ASN A 82 26.583 -24.629 -40.769 1.00 0.00 H new ATOM 1294 N PRO A 83 27.830 -28.514 -41.668 1.00 0.00 N ATOM 1295 CA PRO A 83 28.093 -29.983 -41.714 1.00 0.00 C ATOM 1296 C PRO A 83 28.336 -30.528 -43.141 1.00 0.00 C ATOM 1297 O PRO A 83 27.928 -29.912 -44.121 1.00 0.00 O ATOM 1298 CB PRO A 83 26.809 -30.578 -41.093 1.00 0.00 C ATOM 1299 CG PRO A 83 25.741 -29.585 -41.427 1.00 0.00 C ATOM 1300 CD PRO A 83 26.404 -28.233 -41.307 1.00 0.00 C ATOM 0 HA PRO A 83 29.009 -30.249 -41.186 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.584 -31.560 -41.510 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.911 -30.705 -40.015 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.355 -29.746 -42.433 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.896 -29.671 -40.744 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.955 -27.504 -41.981 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.317 -27.830 -40.298 1.00 0.00 H new ATOM 1308 N ALA A 84 28.977 -31.712 -43.208 1.00 0.00 N ATOM 1309 CA ALA A 84 29.413 -32.354 -44.468 1.00 0.00 C ATOM 1310 C ALA A 84 28.223 -32.899 -45.286 1.00 0.00 C ATOM 1311 O ALA A 84 27.238 -33.347 -44.714 1.00 0.00 O ATOM 1312 CB ALA A 84 30.401 -33.488 -44.157 1.00 0.00 C ATOM 0 H ALA A 84 29.210 -32.258 -42.378 1.00 0.00 H new ATOM 0 HA ALA A 84 29.902 -31.592 -45.075 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.720 -33.958 -45.087 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.270 -33.082 -43.639 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.915 -34.230 -43.523 1.00 0.00 H new ATOM 1318 N ILE A 85 28.360 -32.903 -46.634 1.00 0.00 N ATOM 1319 CA ILE A 85 27.303 -33.375 -47.573 1.00 0.00 C ATOM 1320 C ILE A 85 27.083 -34.914 -47.457 1.00 0.00 C ATOM 1321 O ILE A 85 26.084 -35.459 -47.957 1.00 0.00 O ATOM 1322 CB ILE A 85 27.618 -32.934 -49.066 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.396 -33.208 -50.013 1.00 0.00 C ATOM 1324 CG2 ILE A 85 28.912 -33.597 -49.601 1.00 0.00 C ATOM 1325 CD1 ILE A 85 26.547 -32.685 -51.431 1.00 0.00 C ATOM 0 H ILE A 85 29.205 -32.580 -47.105 1.00 0.00 H new ATOM 0 HA ILE A 85 26.367 -32.895 -47.285 1.00 0.00 H new ATOM 0 HB ILE A 85 27.791 -31.858 -49.056 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.224 -34.283 -50.056 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.506 -32.760 -49.570 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.092 -33.270 -50.625 1.00 0.00 H new ATOM 0 HG22 ILE A 85 29.755 -33.308 -48.974 1.00 0.00 H new ATOM 0 HG23 ILE A 85 28.800 -34.681 -49.581 1.00 0.00 H new ATOM 0 HD11 ILE A 85 25.651 -32.924 -52.004 1.00 0.00 H new ATOM 0 HD12 ILE A 85 26.685 -31.604 -51.407 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.413 -33.151 -51.900 1.00 0.00 H new ATOM 1337 N ALA A 86 28.007 -35.591 -46.747 1.00 0.00 N ATOM 1338 CA ALA A 86 27.919 -37.030 -46.416 1.00 0.00 C ATOM 1339 C ALA A 86 26.643 -37.384 -45.610 1.00 0.00 C ATOM 1340 O ALA A 86 26.138 -38.507 -45.705 1.00 0.00 O ATOM 1341 CB ALA A 86 29.179 -37.459 -45.644 1.00 0.00 C ATOM 0 H ALA A 86 28.849 -35.148 -46.381 1.00 0.00 H new ATOM 0 HA ALA A 86 27.854 -37.578 -47.356 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.113 -38.519 -45.401 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.061 -37.282 -46.260 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.257 -36.880 -44.724 1.00 0.00 H new ATOM 1347 N GLU A 87 26.129 -36.420 -44.820 1.00 0.00 N ATOM 1348 CA GLU A 87 24.874 -36.593 -44.049 1.00 0.00 C ATOM 1349 C GLU A 87 23.676 -35.909 -44.753 1.00 0.00 C ATOM 1350 O GLU A 87 22.531 -36.066 -44.322 1.00 0.00 O ATOM 1351 CB GLU A 87 25.042 -36.043 -42.611 1.00 0.00 C ATOM 1352 CG GLU A 87 25.454 -34.562 -42.555 1.00 0.00 C ATOM 1353 CD GLU A 87 25.489 -33.984 -41.142 1.00 0.00 C ATOM 1354 OE1 GLU A 87 24.559 -33.241 -40.767 1.00 0.00 O ATOM 1355 OE2 GLU A 87 26.452 -34.267 -40.395 1.00 0.00 O ATOM 0 H GLU A 87 26.565 -35.506 -44.697 1.00 0.00 H new ATOM 0 HA GLU A 87 24.662 -37.661 -43.995 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.103 -36.170 -42.072 1.00 0.00 H new ATOM 0 HB3 GLU A 87 25.792 -36.639 -42.090 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.440 -34.452 -43.007 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.759 -33.978 -43.159 1.00 0.00 H new ATOM 1362 N PHE A 88 23.944 -35.135 -45.823 1.00 0.00 N ATOM 1363 CA PHE A 88 22.884 -34.467 -46.610 1.00 0.00 C ATOM 1364 C PHE A 88 22.269 -35.476 -47.579 1.00 0.00 C ATOM 1365 O PHE A 88 22.929 -35.904 -48.537 1.00 0.00 O ATOM 1366 CB PHE A 88 23.446 -33.258 -47.407 1.00 0.00 C ATOM 1367 CG PHE A 88 23.787 -32.033 -46.571 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.403 -30.767 -46.987 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.503 -32.135 -45.385 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.723 -29.656 -46.251 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.819 -31.020 -44.647 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.434 -29.781 -45.083 1.00 0.00 C ATOM 0 H PHE A 88 24.888 -34.955 -46.164 1.00 0.00 H new ATOM 0 HA PHE A 88 22.127 -34.093 -45.921 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.343 -33.578 -47.937 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.715 -32.970 -48.163 1.00 0.00 H new ATOM 0 HD1 PHE A 88 22.844 -30.655 -47.904 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.817 -33.108 -45.037 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.415 -28.678 -46.591 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.371 -31.121 -43.724 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.689 -28.903 -44.509 1.00 0.00 H new ATOM 1382 N ASP A 89 21.018 -35.860 -47.311 1.00 0.00 N ATOM 1383 CA ASP A 89 20.255 -36.743 -48.190 1.00 0.00 C ATOM 1384 C ASP A 89 19.721 -35.929 -49.379 1.00 0.00 C ATOM 1385 O ASP A 89 18.977 -34.964 -49.192 1.00 0.00 O ATOM 1386 CB ASP A 89 19.071 -37.422 -47.433 1.00 0.00 C ATOM 1387 CG ASP A 89 18.109 -38.141 -48.386 1.00 0.00 C ATOM 1388 OD1 ASP A 89 18.351 -39.311 -48.734 1.00 0.00 O ATOM 1389 OD2 ASP A 89 17.131 -37.521 -48.813 1.00 0.00 O ATOM 0 H ASP A 89 20.508 -35.566 -46.478 1.00 0.00 H new ATOM 0 HA ASP A 89 20.916 -37.534 -48.544 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.466 -38.137 -46.711 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.523 -36.668 -46.868 1.00 0.00 H new ATOM 1394 N TRP A 90 20.125 -36.324 -50.582 1.00 0.00 N ATOM 1395 CA TRP A 90 19.542 -35.850 -51.848 1.00 0.00 C ATOM 1396 C TRP A 90 18.729 -36.996 -52.503 1.00 0.00 C ATOM 1397 O TRP A 90 18.006 -36.776 -53.475 1.00 0.00 O ATOM 1398 CB TRP A 90 20.671 -35.388 -52.805 1.00 0.00 C ATOM 1399 CG TRP A 90 21.459 -34.176 -52.329 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.483 -34.150 -51.417 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.303 -32.823 -52.780 1.00 0.00 C ATOM 1402 NE1 TRP A 90 22.959 -32.873 -51.277 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.248 -32.043 -52.097 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.450 -32.203 -53.695 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.358 -30.677 -52.299 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.563 -30.840 -53.889 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.511 -30.089 -53.194 1.00 0.00 C ATOM 0 H TRP A 90 20.881 -36.996 -50.715 1.00 0.00 H new ATOM 0 HA TRP A 90 18.880 -35.007 -51.649 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.363 -36.217 -52.954 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.233 -35.160 -53.777 1.00 0.00 H new ATOM 0 HD1 TRP A 90 22.860 -35.012 -50.886 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.720 -32.588 -50.661 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.716 -32.778 -54.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.093 -30.094 -51.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 19.906 -30.347 -54.591 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.576 -29.025 -53.367 1.00 0.00 H new ATOM 1418 N THR A 91 18.831 -38.217 -51.919 1.00 0.00 N ATOM 1419 CA THR A 91 18.419 -39.485 -52.561 1.00 0.00 C ATOM 1420 C THR A 91 17.108 -40.066 -51.952 1.00 0.00 C ATOM 1421 O THR A 91 16.761 -41.226 -52.225 1.00 0.00 O ATOM 1422 CB THR A 91 19.605 -40.536 -52.507 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.300 -41.703 -53.293 1.00 0.00 O ATOM 1424 CG2 THR A 91 19.956 -40.971 -51.071 1.00 0.00 C ATOM 0 H THR A 91 19.206 -38.347 -50.979 1.00 0.00 H new ATOM 0 HA THR A 91 18.194 -39.268 -53.605 1.00 0.00 H new ATOM 0 HB THR A 91 20.473 -40.026 -52.924 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.359 -41.945 -53.167 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.774 -41.691 -51.099 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.259 -40.099 -50.490 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.084 -41.431 -50.607 1.00 0.00 H new