USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.451 K(o=0.45,f=-1.5!) USER MOD Set 2.1: A 67 SER OG : rot 68:sc= 0.553 USER MOD Set 2.2: A 68 ASN : amide:sc= -0.192 X(o=0.82,f=1.1) USER MOD Set 2.3: A 71 GLN : amide:sc= 0.459 K(o=0.82,f=-1.9!) USER MOD Single : A 30 SER OG : rot 40:sc= 0.299 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00194 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0.637 (180deg=0.572) USER MOD Single : A 41 LYS NZ :NH3+ -107:sc= -5.5! (180deg=-6.43!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -41:sc= 0.137 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc=-0.00122 (180deg=-0.0733) USER MOD Single : A 74 GLN : amide:sc= -0.851 K(o=-0.85,f=-0.016) USER MOD Single : A 75 TYR OH : rot -140:sc= -1.05 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.375 K(o=-0.37,f=-1.7) USER MOD Single : A 91 THR OG1 : rot -39:sc= 0.376 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 4.734 -27.678 -55.382 1.00 0.00 N ATOM 430 CA VAL A 29 4.752 -28.566 -54.208 1.00 0.00 C ATOM 431 C VAL A 29 6.195 -28.848 -53.763 1.00 0.00 C ATOM 432 O VAL A 29 7.010 -29.327 -54.550 1.00 0.00 O ATOM 433 CB VAL A 29 3.965 -29.909 -54.499 1.00 0.00 C ATOM 434 CG1 VAL A 29 2.445 -29.636 -54.577 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.454 -30.615 -55.797 1.00 0.00 C ATOM 0 HA VAL A 29 4.243 -28.059 -53.389 1.00 0.00 H new ATOM 0 HB VAL A 29 4.169 -30.585 -53.669 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.918 -30.569 -54.778 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.101 -29.221 -53.630 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.244 -28.926 -55.379 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.882 -31.530 -55.951 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.311 -29.950 -56.649 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.512 -30.860 -55.702 1.00 0.00 H new ATOM 445 N SER A 30 6.504 -28.527 -52.495 1.00 0.00 N ATOM 446 CA SER A 30 7.827 -28.757 -51.899 1.00 0.00 C ATOM 447 C SER A 30 7.661 -29.183 -50.425 1.00 0.00 C ATOM 448 O SER A 30 7.202 -28.395 -49.585 1.00 0.00 O ATOM 449 CB SER A 30 8.686 -27.478 -52.015 1.00 0.00 C ATOM 450 OG SER A 30 8.038 -26.356 -51.444 1.00 0.00 O ATOM 0 H SER A 30 5.838 -28.098 -51.853 1.00 0.00 H new ATOM 0 HA SER A 30 8.338 -29.557 -52.435 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.643 -27.637 -51.518 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.901 -27.278 -53.065 1.00 0.00 H new ATOM 0 HG SER A 30 7.583 -26.626 -50.619 1.00 0.00 H new ATOM 456 N VAL A 31 8.042 -30.432 -50.131 1.00 0.00 N ATOM 457 CA VAL A 31 7.972 -31.021 -48.787 1.00 0.00 C ATOM 458 C VAL A 31 9.376 -31.011 -48.164 1.00 0.00 C ATOM 459 O VAL A 31 10.335 -31.485 -48.781 1.00 0.00 O ATOM 460 CB VAL A 31 7.431 -32.501 -48.849 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.348 -33.142 -47.437 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.066 -32.572 -49.590 1.00 0.00 C ATOM 0 H VAL A 31 8.414 -31.073 -50.832 1.00 0.00 H new ATOM 0 HA VAL A 31 7.286 -30.432 -48.178 1.00 0.00 H new ATOM 0 HB VAL A 31 8.148 -33.086 -49.424 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.971 -34.161 -47.522 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.340 -33.158 -46.986 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.674 -32.557 -46.811 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.719 -33.605 -49.616 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.335 -31.957 -49.065 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.185 -32.204 -50.609 1.00 0.00 H new ATOM 472 N GLU A 32 9.489 -30.466 -46.950 1.00 0.00 N ATOM 473 CA GLU A 32 10.757 -30.414 -46.219 1.00 0.00 C ATOM 474 C GLU A 32 11.000 -31.748 -45.492 1.00 0.00 C ATOM 475 O GLU A 32 10.327 -32.068 -44.511 1.00 0.00 O ATOM 476 CB GLU A 32 10.760 -29.223 -45.225 1.00 0.00 C ATOM 477 CG GLU A 32 10.566 -27.848 -45.896 1.00 0.00 C ATOM 478 CD GLU A 32 10.544 -26.681 -44.898 1.00 0.00 C ATOM 479 OE1 GLU A 32 9.639 -26.653 -44.035 1.00 0.00 O ATOM 480 OE2 GLU A 32 11.408 -25.782 -44.978 1.00 0.00 O ATOM 0 H GLU A 32 8.705 -30.049 -46.447 1.00 0.00 H new ATOM 0 HA GLU A 32 11.571 -30.259 -46.927 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.968 -29.373 -44.491 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.704 -29.220 -44.680 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.369 -27.686 -46.615 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.632 -27.854 -46.457 1.00 0.00 H new ATOM 487 N LEU A 33 11.946 -32.525 -46.030 1.00 0.00 N ATOM 488 CA LEU A 33 12.364 -33.838 -45.489 1.00 0.00 C ATOM 489 C LEU A 33 13.396 -33.633 -44.338 1.00 0.00 C ATOM 490 O LEU A 33 13.931 -32.528 -44.212 1.00 0.00 O ATOM 491 CB LEU A 33 12.938 -34.697 -46.676 1.00 0.00 C ATOM 492 CG LEU A 33 11.915 -35.525 -47.525 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.402 -36.753 -46.756 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.750 -34.654 -48.011 1.00 0.00 C ATOM 0 H LEU A 33 12.458 -32.260 -46.872 1.00 0.00 H new ATOM 0 HA LEU A 33 11.520 -34.374 -45.056 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.471 -34.027 -47.350 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.674 -35.389 -46.266 1.00 0.00 H new ATOM 0 HG LEU A 33 12.449 -35.886 -48.404 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.695 -37.302 -47.377 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.241 -37.401 -46.503 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.906 -36.428 -45.842 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.061 -35.262 -48.597 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.225 -34.236 -47.152 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.135 -33.844 -48.630 1.00 0.00 H new ATOM 506 N PRO A 34 13.681 -34.682 -43.467 1.00 0.00 N ATOM 507 CA PRO A 34 14.589 -34.546 -42.285 1.00 0.00 C ATOM 508 C PRO A 34 15.954 -33.896 -42.609 1.00 0.00 C ATOM 509 O PRO A 34 16.535 -34.140 -43.671 1.00 0.00 O ATOM 510 CB PRO A 34 14.760 -36.013 -41.774 1.00 0.00 C ATOM 511 CG PRO A 34 14.218 -36.876 -42.878 1.00 0.00 C ATOM 512 CD PRO A 34 13.126 -36.063 -43.518 1.00 0.00 C ATOM 0 HA PRO A 34 14.163 -33.872 -41.542 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.807 -36.241 -41.573 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.214 -36.173 -40.844 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.996 -37.127 -43.599 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.830 -37.817 -42.487 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.928 -36.383 -44.541 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.187 -36.143 -42.971 1.00 0.00 H new ATOM 520 N ALA A 35 16.457 -33.085 -41.664 1.00 0.00 N ATOM 521 CA ALA A 35 17.590 -32.179 -41.889 1.00 0.00 C ATOM 522 C ALA A 35 18.454 -32.038 -40.619 1.00 0.00 C ATOM 523 O ALA A 35 17.950 -32.264 -39.509 1.00 0.00 O ATOM 524 CB ALA A 35 17.040 -30.802 -42.300 1.00 0.00 C ATOM 0 H ALA A 35 16.084 -33.041 -40.716 1.00 0.00 H new ATOM 0 HA ALA A 35 18.222 -32.589 -42.677 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.869 -30.115 -42.471 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.456 -30.902 -43.215 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.404 -30.412 -41.505 1.00 0.00 H new ATOM 530 N PRO A 36 19.777 -31.675 -40.776 1.00 0.00 N ATOM 531 CA PRO A 36 20.618 -31.163 -39.661 1.00 0.00 C ATOM 532 C PRO A 36 19.992 -29.891 -39.048 1.00 0.00 C ATOM 533 O PRO A 36 19.348 -29.129 -39.766 1.00 0.00 O ATOM 534 CB PRO A 36 21.983 -30.835 -40.340 1.00 0.00 C ATOM 535 CG PRO A 36 21.993 -31.662 -41.587 1.00 0.00 C ATOM 536 CD PRO A 36 20.554 -31.768 -42.041 1.00 0.00 C ATOM 0 HA PRO A 36 20.717 -31.878 -38.844 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.067 -29.772 -40.568 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.820 -31.088 -39.690 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.610 -31.197 -42.356 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.413 -32.649 -41.395 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.292 -30.966 -42.732 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.366 -32.709 -42.558 1.00 0.00 H new ATOM 544 N SER A 37 20.218 -29.667 -37.742 1.00 0.00 N ATOM 545 CA SER A 37 19.626 -28.542 -36.988 1.00 0.00 C ATOM 546 C SER A 37 20.010 -27.169 -37.600 1.00 0.00 C ATOM 547 O SER A 37 19.158 -26.286 -37.766 1.00 0.00 O ATOM 548 CB SER A 37 20.060 -28.654 -35.502 1.00 0.00 C ATOM 549 OG SER A 37 21.468 -28.826 -35.391 1.00 0.00 O ATOM 0 H SER A 37 20.820 -30.263 -37.174 1.00 0.00 H new ATOM 0 HA SER A 37 18.539 -28.603 -37.050 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.757 -27.757 -34.963 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.550 -29.495 -35.033 1.00 0.00 H new ATOM 0 HG SER A 37 21.716 -28.892 -34.445 1.00 0.00 H new ATOM 555 N SER A 38 21.292 -27.038 -37.981 1.00 0.00 N ATOM 556 CA SER A 38 21.850 -25.805 -38.585 1.00 0.00 C ATOM 557 C SER A 38 21.254 -25.543 -39.992 1.00 0.00 C ATOM 558 O SER A 38 21.061 -24.392 -40.385 1.00 0.00 O ATOM 559 CB SER A 38 23.400 -25.910 -38.663 1.00 0.00 C ATOM 560 OG SER A 38 23.999 -24.702 -39.117 1.00 0.00 O ATOM 0 H SER A 38 21.978 -27.786 -37.880 1.00 0.00 H new ATOM 0 HA SER A 38 21.578 -24.962 -37.950 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.795 -26.162 -37.679 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.674 -26.724 -39.334 1.00 0.00 H new ATOM 0 HG SER A 38 24.972 -24.812 -39.150 1.00 0.00 H new ATOM 566 N TRP A 39 20.957 -26.625 -40.733 1.00 0.00 N ATOM 567 CA TRP A 39 20.440 -26.549 -42.120 1.00 0.00 C ATOM 568 C TRP A 39 18.938 -26.878 -42.173 1.00 0.00 C ATOM 569 O TRP A 39 18.288 -27.052 -41.140 1.00 0.00 O ATOM 570 CB TRP A 39 21.225 -27.544 -43.027 1.00 0.00 C ATOM 571 CG TRP A 39 22.591 -27.064 -43.444 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.667 -26.815 -42.644 1.00 0.00 C ATOM 573 CD2 TRP A 39 23.013 -26.775 -44.782 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.736 -26.413 -43.405 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.357 -26.383 -44.720 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.379 -26.817 -46.028 1.00 0.00 C ATOM 577 CZ2 TRP A 39 25.081 -26.040 -45.850 1.00 0.00 C ATOM 578 CZ3 TRP A 39 23.099 -26.474 -47.152 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.441 -26.088 -47.059 1.00 0.00 C ATOM 0 H TRP A 39 21.067 -27.580 -40.391 1.00 0.00 H new ATOM 0 HA TRP A 39 20.580 -25.530 -42.480 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.332 -28.491 -42.498 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.635 -27.744 -43.922 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.676 -26.919 -41.569 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.662 -26.175 -43.049 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.343 -27.113 -46.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.117 -25.744 -45.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.620 -26.504 -48.120 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.981 -25.824 -47.956 1.00 0.00 H new ATOM 590 N LYS A 40 18.409 -26.911 -43.407 1.00 0.00 N ATOM 591 CA LYS A 40 17.126 -27.539 -43.737 1.00 0.00 C ATOM 592 C LYS A 40 17.285 -28.309 -45.058 1.00 0.00 C ATOM 593 O LYS A 40 18.094 -27.944 -45.913 1.00 0.00 O ATOM 594 CB LYS A 40 15.948 -26.521 -43.808 1.00 0.00 C ATOM 595 CG LYS A 40 15.403 -26.058 -42.433 1.00 0.00 C ATOM 596 CD LYS A 40 14.019 -25.383 -42.535 1.00 0.00 C ATOM 597 CE LYS A 40 14.005 -24.191 -43.496 1.00 0.00 C ATOM 598 NZ LYS A 40 12.672 -23.545 -43.543 1.00 0.00 N ATOM 0 H LYS A 40 18.871 -26.494 -44.215 1.00 0.00 H new ATOM 0 HA LYS A 40 16.863 -28.226 -42.933 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.277 -25.644 -44.366 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.132 -26.971 -44.373 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.335 -26.918 -41.766 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.110 -25.361 -41.983 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.286 -26.118 -42.866 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.710 -25.048 -41.545 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.753 -23.462 -43.184 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.284 -24.525 -44.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.742 -22.640 -44.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.001 -24.168 -44.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.336 -23.372 -42.574 1.00 0.00 H new ATOM 612 N LYS A 41 16.519 -29.391 -45.177 1.00 0.00 N ATOM 613 CA LYS A 41 16.475 -30.261 -46.354 1.00 0.00 C ATOM 614 C LYS A 41 15.063 -30.191 -46.925 1.00 0.00 C ATOM 615 O LYS A 41 14.083 -30.490 -46.244 1.00 0.00 O ATOM 616 CB LYS A 41 16.887 -31.715 -45.954 1.00 0.00 C ATOM 617 CG LYS A 41 16.400 -32.859 -46.875 1.00 0.00 C ATOM 618 CD LYS A 41 16.866 -32.728 -48.336 1.00 0.00 C ATOM 619 CE LYS A 41 16.342 -33.869 -49.207 1.00 0.00 C ATOM 620 NZ LYS A 41 14.866 -33.911 -49.215 1.00 0.00 N ATOM 0 H LYS A 41 15.891 -29.698 -44.434 1.00 0.00 H new ATOM 0 HA LYS A 41 17.181 -29.937 -47.119 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.975 -31.758 -45.906 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.515 -31.908 -44.948 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.754 -33.809 -46.475 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.311 -32.890 -46.853 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.525 -31.776 -48.742 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.955 -32.717 -48.370 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.709 -33.748 -50.226 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.732 -34.818 -48.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.539 -34.720 -48.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.491 -33.030 -48.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.527 -34.012 -50.193 1.00 0.00 H new ATOM 634 N LEU A 42 14.985 -29.771 -48.178 1.00 0.00 N ATOM 635 CA LEU A 42 13.741 -29.670 -48.932 1.00 0.00 C ATOM 636 C LEU A 42 13.826 -30.590 -50.163 1.00 0.00 C ATOM 637 O LEU A 42 14.894 -30.780 -50.754 1.00 0.00 O ATOM 638 CB LEU A 42 13.485 -28.166 -49.289 1.00 0.00 C ATOM 639 CG LEU A 42 12.313 -27.832 -50.287 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.672 -26.456 -49.988 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.801 -27.865 -51.748 1.00 0.00 C ATOM 0 H LEU A 42 15.804 -29.483 -48.714 1.00 0.00 H new ATOM 0 HA LEU A 42 12.886 -30.006 -48.346 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.295 -27.630 -48.359 1.00 0.00 H new ATOM 0 HB3 LEU A 42 14.406 -27.761 -49.708 1.00 0.00 H new ATOM 0 HG LEU A 42 11.554 -28.602 -50.145 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.869 -26.266 -50.700 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.268 -26.455 -48.976 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.428 -25.676 -50.077 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.971 -27.631 -52.414 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.594 -27.129 -51.884 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.184 -28.858 -51.981 1.00 0.00 H new ATOM 653 N PHE A 43 12.684 -31.186 -50.494 1.00 0.00 N ATOM 654 CA PHE A 43 12.478 -32.019 -51.678 1.00 0.00 C ATOM 655 C PHE A 43 11.207 -31.529 -52.381 1.00 0.00 C ATOM 656 O PHE A 43 10.177 -31.377 -51.736 1.00 0.00 O ATOM 657 CB PHE A 43 12.340 -33.505 -51.237 1.00 0.00 C ATOM 658 CG PHE A 43 11.756 -34.454 -52.289 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.418 -34.702 -53.487 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.526 -35.090 -52.072 1.00 0.00 C ATOM 661 CE1 PHE A 43 11.872 -35.549 -54.435 1.00 0.00 C ATOM 662 CE2 PHE A 43 9.989 -35.938 -53.020 1.00 0.00 C ATOM 663 CZ PHE A 43 10.660 -36.166 -54.201 1.00 0.00 C ATOM 0 H PHE A 43 11.843 -31.099 -49.923 1.00 0.00 H new ATOM 0 HA PHE A 43 13.320 -31.948 -52.366 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.324 -33.873 -50.948 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.711 -33.545 -50.348 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.369 -34.228 -53.679 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.991 -34.914 -51.150 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.396 -35.728 -55.362 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.042 -36.423 -52.835 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.238 -36.827 -54.943 1.00 0.00 H new ATOM 673 N TYR A 44 11.291 -31.251 -53.684 1.00 0.00 N ATOM 674 CA TYR A 44 10.099 -30.994 -54.512 1.00 0.00 C ATOM 675 C TYR A 44 9.547 -32.344 -55.038 1.00 0.00 C ATOM 676 O TYR A 44 10.218 -32.995 -55.848 1.00 0.00 O ATOM 677 CB TYR A 44 10.433 -30.067 -55.715 1.00 0.00 C ATOM 678 CG TYR A 44 10.402 -28.547 -55.462 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.494 -27.887 -54.906 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.301 -27.767 -55.844 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.489 -26.515 -54.735 1.00 0.00 C ATOM 682 CE2 TYR A 44 9.292 -26.395 -55.665 1.00 0.00 C ATOM 683 CZ TYR A 44 10.386 -25.776 -55.113 1.00 0.00 C ATOM 684 OH TYR A 44 10.388 -24.411 -54.954 1.00 0.00 O ATOM 0 H TYR A 44 12.172 -31.197 -54.194 1.00 0.00 H new ATOM 0 HA TYR A 44 9.353 -30.492 -53.896 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.427 -30.329 -56.078 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.731 -30.290 -56.519 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.360 -28.456 -54.603 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.441 -28.248 -56.288 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.348 -26.021 -54.306 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.430 -25.815 -55.958 1.00 0.00 H new ATOM 0 HH TYR A 44 9.536 -24.044 -55.271 1.00 0.00 H new ATOM 694 N PRO A 45 8.341 -32.805 -54.575 1.00 0.00 N ATOM 695 CA PRO A 45 7.606 -33.902 -55.236 1.00 0.00 C ATOM 696 C PRO A 45 6.906 -33.406 -56.517 1.00 0.00 C ATOM 697 O PRO A 45 7.141 -32.281 -56.983 1.00 0.00 O ATOM 698 CB PRO A 45 6.590 -34.348 -54.148 1.00 0.00 C ATOM 699 CG PRO A 45 6.306 -33.090 -53.389 1.00 0.00 C ATOM 700 CD PRO A 45 7.623 -32.329 -53.364 1.00 0.00 C ATOM 0 HA PRO A 45 8.247 -34.719 -55.569 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.684 -34.761 -54.592 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.009 -35.119 -53.502 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.524 -32.506 -53.874 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.960 -33.310 -52.379 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.461 -31.252 -53.395 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.188 -32.541 -52.457 1.00 0.00 H new ATOM 852 N GLU A 55 14.232 -30.480 -58.540 1.00 0.00 N ATOM 853 CA GLU A 55 15.108 -31.419 -57.811 1.00 0.00 C ATOM 854 C GLU A 55 15.163 -31.086 -56.291 1.00 0.00 C ATOM 855 O GLU A 55 14.342 -30.311 -55.771 1.00 0.00 O ATOM 856 CB GLU A 55 16.539 -31.449 -58.454 1.00 0.00 C ATOM 857 CG GLU A 55 17.314 -30.105 -58.438 1.00 0.00 C ATOM 858 CD GLU A 55 17.046 -29.206 -59.656 1.00 0.00 C ATOM 859 OE1 GLU A 55 16.176 -28.319 -59.583 1.00 0.00 O ATOM 860 OE2 GLU A 55 17.698 -29.400 -60.705 1.00 0.00 O ATOM 0 HA GLU A 55 14.682 -32.418 -57.899 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.136 -32.197 -57.932 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.445 -31.781 -59.488 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.051 -29.558 -57.533 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.382 -30.315 -58.384 1.00 0.00 H new ATOM 867 N VAL A 56 16.129 -31.701 -55.587 1.00 0.00 N ATOM 868 CA VAL A 56 16.333 -31.520 -54.141 1.00 0.00 C ATOM 869 C VAL A 56 17.104 -30.217 -53.877 1.00 0.00 C ATOM 870 O VAL A 56 18.135 -29.955 -54.505 1.00 0.00 O ATOM 871 CB VAL A 56 17.128 -32.745 -53.553 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.680 -32.460 -52.138 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.263 -34.032 -53.560 1.00 0.00 C ATOM 0 H VAL A 56 16.797 -32.345 -56.012 1.00 0.00 H new ATOM 0 HA VAL A 56 15.361 -31.460 -53.651 1.00 0.00 H new ATOM 0 HB VAL A 56 17.985 -32.906 -54.206 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.220 -33.334 -51.775 1.00 0.00 H new ATOM 0 HG12 VAL A 56 18.356 -31.606 -52.176 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.853 -32.238 -51.463 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.840 -34.860 -53.148 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.371 -33.874 -52.954 1.00 0.00 H new ATOM 0 HG23 VAL A 56 15.970 -34.268 -54.583 1.00 0.00 H new ATOM 883 N VAL A 57 16.577 -29.403 -52.941 1.00 0.00 N ATOM 884 CA VAL A 57 17.178 -28.122 -52.549 1.00 0.00 C ATOM 885 C VAL A 57 17.455 -28.126 -51.031 1.00 0.00 C ATOM 886 O VAL A 57 16.540 -28.317 -50.233 1.00 0.00 O ATOM 887 CB VAL A 57 16.263 -26.891 -52.927 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.977 -25.542 -52.628 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.784 -26.968 -54.406 1.00 0.00 C ATOM 0 H VAL A 57 15.718 -29.621 -52.436 1.00 0.00 H new ATOM 0 HA VAL A 57 18.112 -28.011 -53.100 1.00 0.00 H new ATOM 0 HB VAL A 57 15.375 -26.938 -52.297 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.321 -24.715 -52.899 1.00 0.00 H new ATOM 0 HG12 VAL A 57 17.214 -25.484 -51.566 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.897 -25.481 -53.209 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.157 -26.105 -54.631 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.649 -26.970 -55.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.210 -27.882 -54.555 1.00 0.00 H new ATOM 899 N PHE A 58 18.728 -27.949 -50.641 1.00 0.00 N ATOM 900 CA PHE A 58 19.129 -27.803 -49.225 1.00 0.00 C ATOM 901 C PHE A 58 19.172 -26.315 -48.843 1.00 0.00 C ATOM 902 O PHE A 58 19.975 -25.561 -49.394 1.00 0.00 O ATOM 903 CB PHE A 58 20.519 -28.462 -48.969 1.00 0.00 C ATOM 904 CG PHE A 58 20.466 -29.960 -48.697 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.410 -30.881 -49.736 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.477 -30.443 -47.386 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.373 -32.237 -49.476 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.436 -31.798 -47.130 1.00 0.00 C ATOM 909 CZ PHE A 58 20.387 -32.693 -48.176 1.00 0.00 C ATOM 0 H PHE A 58 19.510 -27.903 -51.294 1.00 0.00 H new ATOM 0 HA PHE A 58 18.391 -28.312 -48.605 1.00 0.00 H new ATOM 0 HB2 PHE A 58 21.156 -28.285 -49.835 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.991 -27.968 -48.120 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.395 -30.533 -50.758 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.518 -29.746 -46.562 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.333 -32.941 -50.294 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.442 -32.156 -46.111 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.360 -33.754 -47.977 1.00 0.00 H new ATOM 919 N VAL A 59 18.337 -25.911 -47.873 1.00 0.00 N ATOM 920 CA VAL A 59 18.311 -24.535 -47.360 1.00 0.00 C ATOM 921 C VAL A 59 19.483 -24.338 -46.391 1.00 0.00 C ATOM 922 O VAL A 59 19.637 -25.085 -45.415 1.00 0.00 O ATOM 923 CB VAL A 59 16.916 -24.194 -46.683 1.00 0.00 C ATOM 924 CG1 VAL A 59 17.038 -23.194 -45.496 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.929 -23.650 -47.736 1.00 0.00 C ATOM 0 H VAL A 59 17.662 -26.530 -47.423 1.00 0.00 H new ATOM 0 HA VAL A 59 18.424 -23.839 -48.191 1.00 0.00 H new ATOM 0 HB VAL A 59 16.537 -25.128 -46.268 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.050 -23.003 -45.078 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.682 -23.620 -44.726 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.468 -22.258 -45.852 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.977 -23.420 -47.258 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.338 -22.744 -48.184 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.774 -24.400 -48.511 1.00 0.00 H new ATOM 935 N ALA A 60 20.305 -23.328 -46.702 1.00 0.00 N ATOM 936 CA ALA A 60 21.533 -23.021 -45.975 1.00 0.00 C ATOM 937 C ALA A 60 21.257 -22.058 -44.800 1.00 0.00 C ATOM 938 O ALA A 60 20.374 -21.198 -44.905 1.00 0.00 O ATOM 939 CB ALA A 60 22.570 -22.432 -46.937 1.00 0.00 C ATOM 0 H ALA A 60 20.128 -22.693 -47.480 1.00 0.00 H new ATOM 0 HA ALA A 60 21.930 -23.944 -45.553 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.485 -22.204 -46.391 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.788 -23.154 -47.724 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.176 -21.518 -47.382 1.00 0.00 H new ATOM 945 N PRO A 61 22.027 -22.184 -43.675 1.00 0.00 N ATOM 946 CA PRO A 61 21.868 -21.335 -42.460 1.00 0.00 C ATOM 947 C PRO A 61 22.118 -19.824 -42.707 1.00 0.00 C ATOM 948 O PRO A 61 21.520 -18.976 -42.031 1.00 0.00 O ATOM 949 CB PRO A 61 22.928 -21.919 -41.479 1.00 0.00 C ATOM 950 CG PRO A 61 23.913 -22.623 -42.356 1.00 0.00 C ATOM 951 CD PRO A 61 23.095 -23.201 -43.481 1.00 0.00 C ATOM 0 HA PRO A 61 20.844 -21.367 -42.088 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.407 -21.130 -40.899 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.471 -22.606 -40.766 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.669 -21.934 -42.732 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.439 -23.405 -41.809 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.690 -23.338 -44.384 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.682 -24.175 -43.220 1.00 0.00 H new ATOM 959 N THR A 62 23.007 -19.493 -43.670 1.00 0.00 N ATOM 960 CA THR A 62 23.319 -18.083 -44.008 1.00 0.00 C ATOM 961 C THR A 62 22.327 -17.532 -45.062 1.00 0.00 C ATOM 962 O THR A 62 22.402 -16.352 -45.429 1.00 0.00 O ATOM 963 CB THR A 62 24.803 -17.918 -44.512 1.00 0.00 C ATOM 964 OG1 THR A 62 25.199 -16.536 -44.465 1.00 0.00 O ATOM 965 CG2 THR A 62 25.008 -18.441 -45.944 1.00 0.00 C ATOM 0 H THR A 62 23.520 -20.178 -44.225 1.00 0.00 H new ATOM 0 HA THR A 62 23.211 -17.502 -43.092 1.00 0.00 H new ATOM 0 HB THR A 62 25.421 -18.516 -43.842 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.458 -15.973 -44.772 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.049 -18.301 -46.237 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.759 -19.502 -45.983 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.361 -17.891 -46.628 1.00 0.00 H new ATOM 973 N GLY A 63 21.383 -18.384 -45.525 1.00 0.00 N ATOM 974 CA GLY A 63 20.431 -17.998 -46.567 1.00 0.00 C ATOM 975 C GLY A 63 21.059 -18.027 -47.952 1.00 0.00 C ATOM 976 O GLY A 63 21.161 -16.995 -48.629 1.00 0.00 O ATOM 0 H GLY A 63 21.269 -19.340 -45.188 1.00 0.00 H new ATOM 0 HA2 GLY A 63 19.575 -18.672 -46.543 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.054 -16.996 -46.361 1.00 0.00 H new ATOM 980 N GLU A 64 21.502 -19.222 -48.357 1.00 0.00 N ATOM 981 CA GLU A 64 22.126 -19.465 -49.665 1.00 0.00 C ATOM 982 C GLU A 64 21.837 -20.920 -50.066 1.00 0.00 C ATOM 983 O GLU A 64 22.713 -21.788 -50.015 1.00 0.00 O ATOM 984 CB GLU A 64 23.657 -19.139 -49.610 1.00 0.00 C ATOM 985 CG GLU A 64 24.407 -19.274 -50.950 1.00 0.00 C ATOM 986 CD GLU A 64 25.854 -18.742 -50.900 1.00 0.00 C ATOM 987 OE1 GLU A 64 26.096 -17.607 -51.363 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.749 -19.441 -50.380 1.00 0.00 O ATOM 0 H GLU A 64 21.437 -20.060 -47.779 1.00 0.00 H new ATOM 0 HA GLU A 64 21.708 -18.807 -50.427 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.782 -18.120 -49.243 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.127 -19.800 -48.881 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.424 -20.323 -51.244 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.857 -18.736 -51.722 1.00 0.00 H new ATOM 995 N GLU A 65 20.556 -21.181 -50.396 1.00 0.00 N ATOM 996 CA GLU A 65 20.051 -22.544 -50.638 1.00 0.00 C ATOM 997 C GLU A 65 20.694 -23.193 -51.883 1.00 0.00 C ATOM 998 O GLU A 65 21.188 -22.506 -52.789 1.00 0.00 O ATOM 999 CB GLU A 65 18.505 -22.555 -50.747 1.00 0.00 C ATOM 1000 CG GLU A 65 17.922 -21.720 -51.912 1.00 0.00 C ATOM 1001 CD GLU A 65 16.394 -21.866 -52.072 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.916 -22.168 -53.188 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.663 -21.664 -51.078 1.00 0.00 O ATOM 0 H GLU A 65 19.847 -20.455 -50.501 1.00 0.00 H new ATOM 0 HA GLU A 65 20.339 -23.146 -49.776 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.172 -23.587 -50.858 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.088 -22.184 -49.811 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.163 -20.669 -51.751 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.407 -22.020 -52.841 1.00 0.00 H new ATOM 1010 N ILE A 66 20.653 -24.530 -51.913 1.00 0.00 N ATOM 1011 CA ILE A 66 21.492 -25.349 -52.792 1.00 0.00 C ATOM 1012 C ILE A 66 20.620 -26.232 -53.698 1.00 0.00 C ATOM 1013 O ILE A 66 20.024 -27.185 -53.214 1.00 0.00 O ATOM 1014 CB ILE A 66 22.419 -26.275 -51.933 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.260 -25.464 -50.890 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.307 -27.144 -52.839 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.196 -24.418 -51.465 1.00 0.00 C ATOM 0 H ILE A 66 20.029 -25.079 -51.321 1.00 0.00 H new ATOM 0 HA ILE A 66 22.096 -24.681 -53.407 1.00 0.00 H new ATOM 0 HB ILE A 66 21.778 -26.941 -51.355 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.573 -24.971 -50.203 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.849 -26.167 -50.301 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.943 -27.780 -52.223 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.678 -27.767 -53.475 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.930 -26.502 -53.462 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.726 -23.919 -50.654 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.916 -24.899 -52.128 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.619 -23.683 -52.027 1.00 0.00 H new ATOM 1029 N SER A 67 20.588 -25.936 -55.001 1.00 0.00 N ATOM 1030 CA SER A 67 19.814 -26.710 -55.986 1.00 0.00 C ATOM 1031 C SER A 67 20.580 -27.951 -56.486 1.00 0.00 C ATOM 1032 O SER A 67 19.975 -28.851 -57.079 1.00 0.00 O ATOM 1033 CB SER A 67 19.444 -25.798 -57.186 1.00 0.00 C ATOM 1034 OG SER A 67 20.556 -25.047 -57.644 1.00 0.00 O ATOM 0 H SER A 67 21.098 -25.152 -55.407 1.00 0.00 H new ATOM 0 HA SER A 67 18.910 -27.066 -55.492 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.059 -26.410 -58.002 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.644 -25.119 -56.892 1.00 0.00 H new ATOM 0 HG SER A 67 21.214 -25.650 -58.048 1.00 0.00 H new ATOM 1040 N ASN A 68 21.912 -27.983 -56.270 1.00 0.00 N ATOM 1041 CA ASN A 68 22.771 -29.062 -56.796 1.00 0.00 C ATOM 1042 C ASN A 68 24.079 -29.198 -55.988 1.00 0.00 C ATOM 1043 O ASN A 68 24.590 -28.210 -55.459 1.00 0.00 O ATOM 1044 CB ASN A 68 23.047 -28.850 -58.318 1.00 0.00 C ATOM 1045 CG ASN A 68 23.530 -27.439 -58.662 1.00 0.00 C ATOM 1046 OD1 ASN A 68 22.731 -26.558 -58.974 1.00 0.00 O ATOM 1047 ND2 ASN A 68 24.829 -27.208 -58.594 1.00 0.00 N ATOM 0 H ASN A 68 22.414 -27.274 -55.735 1.00 0.00 H new ATOM 0 HA ASN A 68 22.236 -30.004 -56.681 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.795 -29.571 -58.647 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.135 -29.059 -58.877 1.00 0.00 H new ATOM 0 HD21 ASN A 68 25.193 -26.279 -58.803 1.00 0.00 H new ATOM 0 HD22 ASN A 68 25.468 -27.959 -58.332 1.00 0.00 H new ATOM 1054 N ARG A 69 24.634 -30.435 -55.981 1.00 0.00 N ATOM 1055 CA ARG A 69 25.765 -30.855 -55.102 1.00 0.00 C ATOM 1056 C ARG A 69 27.016 -29.972 -55.220 1.00 0.00 C ATOM 1057 O ARG A 69 27.734 -29.814 -54.231 1.00 0.00 O ATOM 1058 CB ARG A 69 26.153 -32.335 -55.374 1.00 0.00 C ATOM 1059 CG ARG A 69 25.209 -33.382 -54.748 1.00 0.00 C ATOM 1060 CD ARG A 69 25.716 -34.827 -54.935 1.00 0.00 C ATOM 1061 NE ARG A 69 25.065 -35.764 -54.007 1.00 0.00 N ATOM 1062 CZ ARG A 69 25.316 -37.077 -53.929 1.00 0.00 C ATOM 1063 NH1 ARG A 69 26.119 -37.673 -54.799 1.00 0.00 N ATOM 1064 NH2 ARG A 69 24.754 -37.791 -52.969 1.00 0.00 N ATOM 0 H ARG A 69 24.307 -31.183 -56.593 1.00 0.00 H new ATOM 0 HA ARG A 69 25.394 -30.739 -54.084 1.00 0.00 H new ATOM 0 HB2 ARG A 69 26.184 -32.494 -56.452 1.00 0.00 H new ATOM 0 HB3 ARG A 69 27.161 -32.506 -54.997 1.00 0.00 H new ATOM 0 HG2 ARG A 69 25.098 -33.175 -53.684 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.220 -33.287 -55.196 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.532 -35.146 -55.961 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.795 -34.855 -54.781 1.00 0.00 H new ATOM 0 HE ARG A 69 24.365 -35.382 -53.371 1.00 0.00 H new ATOM 0 HH11 ARG A 69 26.557 -37.130 -55.543 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.299 -38.674 -54.724 1.00 0.00 H new ATOM 0 HH21 ARG A 69 24.135 -37.341 -52.295 1.00 0.00 H new ATOM 0 HH22 ARG A 69 24.940 -38.792 -52.902 1.00 0.00 H new ATOM 1078 N LYS A 70 27.267 -29.411 -56.417 1.00 0.00 N ATOM 1079 CA LYS A 70 28.419 -28.500 -56.646 1.00 0.00 C ATOM 1080 C LYS A 70 28.358 -27.343 -55.625 1.00 0.00 C ATOM 1081 O LYS A 70 29.303 -27.121 -54.858 1.00 0.00 O ATOM 1082 CB LYS A 70 28.402 -27.955 -58.114 1.00 0.00 C ATOM 1083 CG LYS A 70 29.739 -27.368 -58.660 1.00 0.00 C ATOM 1084 CD LYS A 70 30.230 -26.088 -57.937 1.00 0.00 C ATOM 1085 CE LYS A 70 31.496 -25.487 -58.563 1.00 0.00 C ATOM 1086 NZ LYS A 70 31.263 -25.002 -59.950 1.00 0.00 N ATOM 0 H LYS A 70 26.692 -29.568 -57.244 1.00 0.00 H new ATOM 0 HA LYS A 70 29.352 -29.047 -56.508 1.00 0.00 H new ATOM 0 HB2 LYS A 70 28.092 -28.765 -58.774 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.638 -27.180 -58.180 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.513 -28.132 -58.583 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.616 -27.145 -59.720 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.435 -25.342 -57.953 1.00 0.00 H new ATOM 0 HD3 LYS A 70 30.426 -26.322 -56.891 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.847 -24.660 -57.945 1.00 0.00 H new ATOM 0 HE3 LYS A 70 32.287 -26.237 -58.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 32.095 -24.470 -60.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.102 -25.814 -60.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 30.428 -24.382 -59.965 1.00 0.00 H new ATOM 1100 N GLN A 71 27.193 -26.673 -55.603 1.00 0.00 N ATOM 1101 CA GLN A 71 26.937 -25.498 -54.749 1.00 0.00 C ATOM 1102 C GLN A 71 27.053 -25.861 -53.255 1.00 0.00 C ATOM 1103 O GLN A 71 27.510 -25.046 -52.461 1.00 0.00 O ATOM 1104 CB GLN A 71 25.530 -24.929 -55.037 1.00 0.00 C ATOM 1105 CG GLN A 71 25.281 -24.536 -56.503 1.00 0.00 C ATOM 1106 CD GLN A 71 23.809 -24.226 -56.802 1.00 0.00 C ATOM 1107 OE1 GLN A 71 22.915 -24.781 -56.172 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.553 -23.364 -57.776 1.00 0.00 N ATOM 0 H GLN A 71 26.395 -26.933 -56.182 1.00 0.00 H new ATOM 0 HA GLN A 71 27.689 -24.744 -54.980 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.787 -25.670 -54.743 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.372 -24.052 -54.409 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.887 -23.663 -56.747 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.614 -25.346 -57.152 1.00 0.00 H new ATOM 0 HE21 GLN A 71 24.321 -22.921 -58.280 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.588 -23.144 -58.022 1.00 0.00 H new ATOM 1117 N LEU A 72 26.649 -27.102 -52.911 1.00 0.00 N ATOM 1118 CA LEU A 72 26.705 -27.631 -51.524 1.00 0.00 C ATOM 1119 C LEU A 72 28.161 -27.641 -51.030 1.00 0.00 C ATOM 1120 O LEU A 72 28.483 -27.081 -49.985 1.00 0.00 O ATOM 1121 CB LEU A 72 26.092 -29.081 -51.481 1.00 0.00 C ATOM 1122 CG LEU A 72 25.518 -29.610 -50.118 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.562 -29.662 -48.996 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.282 -28.809 -49.689 1.00 0.00 C ATOM 0 H LEU A 72 26.274 -27.769 -53.585 1.00 0.00 H new ATOM 0 HA LEU A 72 26.120 -26.989 -50.866 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.290 -29.124 -52.218 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.864 -29.777 -51.809 1.00 0.00 H new ATOM 0 HG LEU A 72 25.217 -30.642 -50.298 1.00 0.00 H new ATOM 0 HD11 LEU A 72 26.097 -30.036 -48.084 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.376 -30.325 -49.287 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.955 -28.661 -48.818 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.907 -29.198 -48.742 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.552 -27.760 -49.569 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.508 -28.899 -50.451 1.00 0.00 H new ATOM 1136 N GLU A 73 29.021 -28.270 -51.828 1.00 0.00 N ATOM 1137 CA GLU A 73 30.420 -28.525 -51.468 1.00 0.00 C ATOM 1138 C GLU A 73 31.226 -27.223 -51.407 1.00 0.00 C ATOM 1139 O GLU A 73 31.907 -26.959 -50.407 1.00 0.00 O ATOM 1140 CB GLU A 73 31.021 -29.487 -52.501 1.00 0.00 C ATOM 1141 CG GLU A 73 30.291 -30.830 -52.588 1.00 0.00 C ATOM 1142 CD GLU A 73 30.852 -31.720 -53.696 1.00 0.00 C ATOM 1143 OE1 GLU A 73 31.768 -32.522 -53.423 1.00 0.00 O ATOM 1144 OE2 GLU A 73 30.407 -31.589 -54.857 1.00 0.00 O ATOM 0 H GLU A 73 28.767 -28.621 -52.751 1.00 0.00 H new ATOM 0 HA GLU A 73 30.461 -28.973 -50.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 31.005 -29.010 -53.481 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.067 -29.667 -52.252 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.371 -31.348 -51.632 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.230 -30.654 -52.767 1.00 0.00 H new ATOM 1151 N GLN A 74 31.108 -26.396 -52.475 1.00 0.00 N ATOM 1152 CA GLN A 74 31.805 -25.098 -52.551 1.00 0.00 C ATOM 1153 C GLN A 74 31.313 -24.141 -51.441 1.00 0.00 C ATOM 1154 O GLN A 74 32.050 -23.251 -51.026 1.00 0.00 O ATOM 1155 CB GLN A 74 31.717 -24.463 -53.982 1.00 0.00 C ATOM 1156 CG GLN A 74 30.311 -24.051 -54.503 1.00 0.00 C ATOM 1157 CD GLN A 74 29.825 -22.654 -54.077 1.00 0.00 C ATOM 1158 OE1 GLN A 74 30.130 -21.655 -54.718 1.00 0.00 O ATOM 1159 NE2 GLN A 74 29.047 -22.574 -53.009 1.00 0.00 N ATOM 0 H GLN A 74 30.536 -26.609 -53.292 1.00 0.00 H new ATOM 0 HA GLN A 74 32.865 -25.278 -52.372 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.353 -23.578 -53.996 1.00 0.00 H new ATOM 0 HB3 GLN A 74 32.143 -25.173 -54.691 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.320 -24.096 -55.592 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.586 -24.788 -54.159 1.00 0.00 H new ATOM 0 HE21 GLN A 74 28.805 -23.418 -52.490 1.00 0.00 H new ATOM 0 HE22 GLN A 74 28.689 -21.668 -52.705 1.00 0.00 H new ATOM 1168 N TYR A 75 30.073 -24.373 -50.945 1.00 0.00 N ATOM 1169 CA TYR A 75 29.517 -23.648 -49.786 1.00 0.00 C ATOM 1170 C TYR A 75 30.299 -24.029 -48.520 1.00 0.00 C ATOM 1171 O TYR A 75 30.745 -23.150 -47.800 1.00 0.00 O ATOM 1172 CB TYR A 75 27.999 -23.960 -49.610 1.00 0.00 C ATOM 1173 CG TYR A 75 27.322 -23.272 -48.414 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.596 -22.095 -48.567 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.419 -23.799 -47.124 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.998 -21.478 -47.488 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.824 -23.183 -46.047 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.118 -22.027 -46.228 1.00 0.00 C ATOM 1179 OH TYR A 75 25.515 -21.423 -45.142 1.00 0.00 O ATOM 0 H TYR A 75 29.436 -25.066 -51.338 1.00 0.00 H new ATOM 0 HA TYR A 75 29.617 -22.576 -49.959 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.477 -23.666 -50.520 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.876 -25.038 -49.505 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.499 -21.656 -49.549 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.974 -24.712 -46.968 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.437 -20.566 -47.629 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.915 -23.612 -45.060 1.00 0.00 H new ATOM 0 HH TYR A 75 26.115 -21.467 -44.368 1.00 0.00 H new ATOM 1189 N LEU A 76 30.460 -25.347 -48.277 1.00 0.00 N ATOM 1190 CA LEU A 76 31.085 -25.879 -47.037 1.00 0.00 C ATOM 1191 C LEU A 76 32.547 -25.410 -46.903 1.00 0.00 C ATOM 1192 O LEU A 76 32.971 -24.960 -45.837 1.00 0.00 O ATOM 1193 CB LEU A 76 31.023 -27.429 -47.015 1.00 0.00 C ATOM 1194 CG LEU A 76 29.604 -28.069 -47.103 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.702 -29.606 -47.161 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.679 -27.599 -45.952 1.00 0.00 C ATOM 0 H LEU A 76 30.163 -26.073 -48.929 1.00 0.00 H new ATOM 0 HA LEU A 76 30.520 -25.489 -46.190 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.620 -27.806 -47.846 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.498 -27.777 -46.098 1.00 0.00 H new ATOM 0 HG LEU A 76 29.145 -27.724 -48.030 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.701 -30.032 -47.222 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.276 -29.901 -48.039 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.198 -29.973 -46.263 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.702 -28.071 -46.055 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.118 -27.879 -44.995 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.565 -26.516 -45.996 1.00 0.00 H new ATOM 1208 N LYS A 77 33.300 -25.495 -48.007 1.00 0.00 N ATOM 1209 CA LYS A 77 34.714 -25.068 -48.038 1.00 0.00 C ATOM 1210 C LYS A 77 34.853 -23.522 -48.136 1.00 0.00 C ATOM 1211 O LYS A 77 35.961 -22.988 -48.069 1.00 0.00 O ATOM 1212 CB LYS A 77 35.473 -25.831 -49.171 1.00 0.00 C ATOM 1213 CG LYS A 77 34.896 -25.686 -50.610 1.00 0.00 C ATOM 1214 CD LYS A 77 35.337 -24.398 -51.344 1.00 0.00 C ATOM 1215 CE LYS A 77 36.863 -24.297 -51.521 1.00 0.00 C ATOM 1216 NZ LYS A 77 37.262 -23.051 -52.221 1.00 0.00 N ATOM 0 H LYS A 77 32.956 -25.857 -48.897 1.00 0.00 H new ATOM 0 HA LYS A 77 35.185 -25.335 -47.092 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.507 -25.487 -49.181 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.492 -26.891 -48.916 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.202 -26.550 -51.200 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.807 -25.705 -50.556 1.00 0.00 H new ATOM 0 HD2 LYS A 77 34.860 -24.364 -52.324 1.00 0.00 H new ATOM 0 HD3 LYS A 77 34.983 -23.530 -50.787 1.00 0.00 H new ATOM 0 HE2 LYS A 77 37.344 -24.333 -50.544 1.00 0.00 H new ATOM 0 HE3 LYS A 77 37.220 -25.159 -52.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 38.297 -23.024 -52.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 36.824 -23.027 -53.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.945 -22.227 -51.671 1.00 0.00 H new ATOM 1230 N SER A 78 33.721 -22.812 -48.329 1.00 0.00 N ATOM 1231 CA SER A 78 33.642 -21.336 -48.201 1.00 0.00 C ATOM 1232 C SER A 78 33.131 -20.926 -46.797 1.00 0.00 C ATOM 1233 O SER A 78 33.386 -19.808 -46.340 1.00 0.00 O ATOM 1234 CB SER A 78 32.693 -20.777 -49.290 1.00 0.00 C ATOM 1235 OG SER A 78 32.538 -19.373 -49.198 1.00 0.00 O ATOM 0 H SER A 78 32.832 -23.245 -48.579 1.00 0.00 H new ATOM 0 HA SER A 78 34.641 -20.921 -48.332 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.083 -21.034 -50.275 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.718 -21.255 -49.199 1.00 0.00 H new ATOM 0 HG SER A 78 31.933 -19.064 -49.904 1.00 0.00 H new ATOM 1241 N HIS A 79 32.413 -21.843 -46.125 1.00 0.00 N ATOM 1242 CA HIS A 79 31.713 -21.575 -44.853 1.00 0.00 C ATOM 1243 C HIS A 79 32.029 -22.704 -43.844 1.00 0.00 C ATOM 1244 O HIS A 79 31.384 -23.761 -43.887 1.00 0.00 O ATOM 1245 CB HIS A 79 30.172 -21.486 -45.081 1.00 0.00 C ATOM 1246 CG HIS A 79 29.729 -20.378 -46.001 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.526 -20.558 -47.355 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.457 -19.075 -45.760 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.159 -19.418 -47.904 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.108 -18.500 -46.958 1.00 0.00 N ATOM 0 H HIS A 79 32.300 -22.802 -46.452 1.00 0.00 H new ATOM 0 HA HIS A 79 32.058 -20.620 -44.456 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.824 -22.436 -45.487 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.684 -21.354 -44.115 1.00 0.00 H new ATOM 0 HD1 HIS A 79 29.643 -21.440 -47.854 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.505 -18.578 -44.802 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.938 -19.262 -48.949 1.00 0.00 H new ATOM 1259 N PRO A 80 33.041 -22.520 -42.939 1.00 0.00 N ATOM 1260 CA PRO A 80 33.372 -23.526 -41.904 1.00 0.00 C ATOM 1261 C PRO A 80 32.339 -23.528 -40.751 1.00 0.00 C ATOM 1262 O PRO A 80 31.677 -22.514 -40.491 1.00 0.00 O ATOM 1263 CB PRO A 80 34.785 -23.096 -41.443 1.00 0.00 C ATOM 1264 CG PRO A 80 34.820 -21.615 -41.656 1.00 0.00 C ATOM 1265 CD PRO A 80 33.932 -21.330 -42.855 1.00 0.00 C ATOM 0 HA PRO A 80 33.348 -24.551 -42.273 1.00 0.00 H new ATOM 0 HB2 PRO A 80 34.954 -23.350 -40.397 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.560 -23.598 -42.022 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.460 -21.088 -40.773 1.00 0.00 H new ATOM 0 HG3 PRO A 80 35.839 -21.273 -41.838 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.360 -20.413 -42.718 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.519 -21.207 -43.765 1.00 0.00 H new ATOM 1273 N GLY A 81 32.196 -24.691 -40.090 1.00 0.00 N ATOM 1274 CA GLY A 81 31.174 -24.890 -39.052 1.00 0.00 C ATOM 1275 C GLY A 81 29.839 -25.368 -39.623 1.00 0.00 C ATOM 1276 O GLY A 81 28.834 -25.434 -38.907 1.00 0.00 O ATOM 0 H GLY A 81 32.780 -25.510 -40.259 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.536 -25.618 -38.326 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.021 -23.954 -38.515 1.00 0.00 H new ATOM 1280 N ASN A 82 29.827 -25.681 -40.929 1.00 0.00 N ATOM 1281 CA ASN A 82 28.642 -26.211 -41.637 1.00 0.00 C ATOM 1282 C ASN A 82 28.801 -27.732 -41.871 1.00 0.00 C ATOM 1283 O ASN A 82 29.834 -28.158 -42.402 1.00 0.00 O ATOM 1284 CB ASN A 82 28.453 -25.452 -42.975 1.00 0.00 C ATOM 1285 CG ASN A 82 27.991 -24.012 -42.760 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.801 -23.726 -42.808 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.921 -23.110 -42.479 1.00 0.00 N ATOM 0 H ASN A 82 30.644 -25.574 -41.531 1.00 0.00 H new ATOM 0 HA ASN A 82 27.752 -26.057 -41.027 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.393 -25.452 -43.527 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.723 -25.978 -43.590 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.654 -22.143 -42.294 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.903 -23.383 -42.447 1.00 0.00 H new ATOM 1294 N PRO A 83 27.789 -28.575 -41.460 1.00 0.00 N ATOM 1295 CA PRO A 83 27.846 -30.059 -41.593 1.00 0.00 C ATOM 1296 C PRO A 83 28.131 -30.529 -43.039 1.00 0.00 C ATOM 1297 O PRO A 83 27.650 -29.923 -43.997 1.00 0.00 O ATOM 1298 CB PRO A 83 26.447 -30.531 -41.097 1.00 0.00 C ATOM 1299 CG PRO A 83 25.588 -29.305 -41.069 1.00 0.00 C ATOM 1300 CD PRO A 83 26.520 -28.147 -40.817 1.00 0.00 C ATOM 0 HA PRO A 83 28.668 -30.484 -41.017 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.030 -31.285 -41.764 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.515 -30.983 -40.108 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.057 -29.180 -42.013 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.833 -29.376 -40.286 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.140 -27.224 -41.255 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.653 -27.963 -39.751 1.00 0.00 H new ATOM 1308 N ALA A 84 28.911 -31.621 -43.156 1.00 0.00 N ATOM 1309 CA ALA A 84 29.428 -32.123 -44.445 1.00 0.00 C ATOM 1310 C ALA A 84 28.319 -32.747 -45.314 1.00 0.00 C ATOM 1311 O ALA A 84 27.286 -33.179 -44.802 1.00 0.00 O ATOM 1312 CB ALA A 84 30.568 -33.133 -44.214 1.00 0.00 C ATOM 0 H ALA A 84 29.202 -32.183 -42.356 1.00 0.00 H new ATOM 0 HA ALA A 84 29.820 -31.265 -44.991 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.936 -33.492 -45.175 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.380 -32.648 -43.673 1.00 0.00 H new ATOM 0 HB3 ALA A 84 30.195 -33.975 -43.631 1.00 0.00 H new ATOM 1318 N ILE A 85 28.581 -32.828 -46.632 1.00 0.00 N ATOM 1319 CA ILE A 85 27.635 -33.387 -47.625 1.00 0.00 C ATOM 1320 C ILE A 85 27.439 -34.918 -47.423 1.00 0.00 C ATOM 1321 O ILE A 85 26.456 -35.502 -47.900 1.00 0.00 O ATOM 1322 CB ILE A 85 28.110 -33.053 -49.099 1.00 0.00 C ATOM 1323 CG1 ILE A 85 27.002 -33.398 -50.151 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.455 -33.744 -49.441 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.336 -33.029 -51.591 1.00 0.00 C ATOM 0 H ILE A 85 29.458 -32.507 -47.043 1.00 0.00 H new ATOM 0 HA ILE A 85 26.665 -32.915 -47.470 1.00 0.00 H new ATOM 0 HB ILE A 85 28.281 -31.978 -49.146 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.800 -34.468 -50.105 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.082 -32.888 -49.866 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.746 -33.490 -50.460 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.225 -33.404 -48.748 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.341 -34.825 -49.355 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.506 -33.308 -52.240 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.506 -31.955 -51.661 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.235 -33.560 -51.903 1.00 0.00 H new ATOM 1337 N ALA A 86 28.365 -35.535 -46.659 1.00 0.00 N ATOM 1338 CA ALA A 86 28.351 -36.980 -46.332 1.00 0.00 C ATOM 1339 C ALA A 86 27.087 -37.409 -45.552 1.00 0.00 C ATOM 1340 O ALA A 86 26.647 -38.556 -45.664 1.00 0.00 O ATOM 1341 CB ALA A 86 29.617 -37.346 -45.539 1.00 0.00 C ATOM 0 H ALA A 86 29.154 -35.039 -46.246 1.00 0.00 H new ATOM 0 HA ALA A 86 28.333 -37.523 -47.277 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.602 -38.410 -45.301 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.499 -37.120 -46.138 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.648 -36.768 -44.616 1.00 0.00 H new ATOM 1347 N GLU A 87 26.516 -36.485 -44.753 1.00 0.00 N ATOM 1348 CA GLU A 87 25.264 -36.743 -43.992 1.00 0.00 C ATOM 1349 C GLU A 87 24.026 -36.185 -44.738 1.00 0.00 C ATOM 1350 O GLU A 87 22.883 -36.436 -44.330 1.00 0.00 O ATOM 1351 CB GLU A 87 25.364 -36.134 -42.566 1.00 0.00 C ATOM 1352 CG GLU A 87 25.681 -34.630 -42.540 1.00 0.00 C ATOM 1353 CD GLU A 87 25.667 -34.020 -41.133 1.00 0.00 C ATOM 1354 OE1 GLU A 87 24.582 -33.659 -40.629 1.00 0.00 O ATOM 1355 OE2 GLU A 87 26.740 -33.892 -40.514 1.00 0.00 O ATOM 0 H GLU A 87 26.899 -35.550 -44.614 1.00 0.00 H new ATOM 0 HA GLU A 87 25.139 -37.822 -43.904 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.422 -36.304 -42.045 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.136 -36.666 -42.010 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.662 -34.467 -42.987 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.956 -34.104 -43.161 1.00 0.00 H new ATOM 1362 N PHE A 88 24.263 -35.433 -45.824 1.00 0.00 N ATOM 1363 CA PHE A 88 23.194 -34.764 -46.603 1.00 0.00 C ATOM 1364 C PHE A 88 22.606 -35.729 -47.639 1.00 0.00 C ATOM 1365 O PHE A 88 23.316 -36.156 -48.551 1.00 0.00 O ATOM 1366 CB PHE A 88 23.759 -33.490 -47.296 1.00 0.00 C ATOM 1367 CG PHE A 88 24.015 -32.302 -46.361 1.00 0.00 C ATOM 1368 CD1 PHE A 88 24.064 -31.019 -46.868 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.205 -32.462 -44.987 1.00 0.00 C ATOM 1370 CE1 PHE A 88 24.296 -29.937 -46.046 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.436 -31.380 -44.169 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.483 -30.118 -44.701 1.00 0.00 C ATOM 0 H PHE A 88 25.200 -35.268 -46.192 1.00 0.00 H new ATOM 0 HA PHE A 88 22.395 -34.465 -45.924 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.694 -33.750 -47.793 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.061 -33.178 -48.073 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.918 -30.860 -47.926 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.170 -33.453 -44.559 1.00 0.00 H new ATOM 0 HE1 PHE A 88 24.331 -28.942 -46.464 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.580 -31.525 -43.109 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.667 -29.268 -44.061 1.00 0.00 H new ATOM 1382 N ASP A 89 21.303 -36.059 -47.494 1.00 0.00 N ATOM 1383 CA ASP A 89 20.624 -37.063 -48.343 1.00 0.00 C ATOM 1384 C ASP A 89 19.914 -36.390 -49.531 1.00 0.00 C ATOM 1385 O ASP A 89 19.091 -35.494 -49.347 1.00 0.00 O ATOM 1386 CB ASP A 89 19.589 -37.895 -47.524 1.00 0.00 C ATOM 1387 CG ASP A 89 19.160 -39.178 -48.255 1.00 0.00 C ATOM 1388 OD1 ASP A 89 19.842 -40.213 -48.099 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.156 -39.155 -49.001 1.00 0.00 O ATOM 0 H ASP A 89 20.696 -35.640 -46.790 1.00 0.00 H new ATOM 0 HA ASP A 89 21.394 -37.736 -48.721 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.020 -38.157 -46.558 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.710 -37.282 -47.325 1.00 0.00 H new ATOM 1394 N TRP A 90 20.251 -36.846 -50.742 1.00 0.00 N ATOM 1395 CA TRP A 90 19.643 -36.386 -52.007 1.00 0.00 C ATOM 1396 C TRP A 90 18.774 -37.520 -52.610 1.00 0.00 C ATOM 1397 O TRP A 90 17.861 -37.258 -53.399 1.00 0.00 O ATOM 1398 CB TRP A 90 20.765 -35.975 -53.008 1.00 0.00 C ATOM 1399 CG TRP A 90 21.723 -34.921 -52.478 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.758 -35.111 -51.600 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.728 -33.518 -52.789 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.407 -33.929 -51.366 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.790 -32.934 -52.078 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.939 -32.703 -53.599 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 23.078 -31.573 -52.154 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 21.227 -31.351 -53.676 1.00 0.00 C ATOM 1407 CH2 TRP A 90 22.285 -30.796 -52.958 1.00 0.00 C ATOM 0 H TRP A 90 20.967 -37.559 -50.879 1.00 0.00 H new ATOM 0 HA TRP A 90 19.009 -35.521 -51.813 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.335 -36.863 -53.280 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.302 -35.601 -53.921 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.024 -36.059 -51.156 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.218 -33.808 -50.760 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.115 -33.120 -54.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.899 -31.144 -51.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.621 -30.715 -54.304 1.00 0.00 H new ATOM 0 HH2 TRP A 90 22.483 -29.737 -53.036 1.00 0.00 H new ATOM 1418 N THR A 91 19.049 -38.783 -52.182 1.00 0.00 N ATOM 1419 CA THR A 91 18.433 -40.007 -52.765 1.00 0.00 C ATOM 1420 C THR A 91 17.016 -40.274 -52.206 1.00 0.00 C ATOM 1421 O THR A 91 16.396 -41.289 -52.544 1.00 0.00 O ATOM 1422 CB THR A 91 19.357 -41.266 -52.546 1.00 0.00 C ATOM 1423 OG1 THR A 91 18.908 -42.384 -53.340 1.00 0.00 O ATOM 1424 CG2 THR A 91 19.419 -41.695 -51.073 1.00 0.00 C ATOM 0 H THR A 91 19.703 -38.980 -51.424 1.00 0.00 H new ATOM 0 HA THR A 91 18.333 -39.828 -53.836 1.00 0.00 H new ATOM 0 HB THR A 91 20.357 -40.967 -52.861 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.929 -42.416 -53.335 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.067 -42.566 -50.975 1.00 0.00 H new ATOM 0 HG22 THR A 91 19.816 -40.877 -50.472 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.417 -41.948 -50.725 1.00 0.00 H new