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 Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0.145 (180deg=0.12) USER MOD Single : A 41 LYS NZ :NH3+ -133:sc= -0.038 (180deg=-1.24!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -28:sc= 0.295 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0762 X(o=-0.076,f=-0.42) USER MOD Single : A 74 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.4) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0256 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -19:sc= 0.261 USER MOD Single : A 79 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 82 ASN : amide:sc= 0.0352 K(o=0.035,f=-1.1!) USER MOD Single : A 91 THR OG1 : rot -39:sc= 0.508 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.403 -27.833 -55.750 1.00 0.00 N ATOM 430 CA VAL A 29 3.772 -29.253 -55.660 1.00 0.00 C ATOM 431 C VAL A 29 5.297 -29.385 -55.385 1.00 0.00 C ATOM 432 O VAL A 29 6.142 -29.157 -56.261 1.00 0.00 O ATOM 433 CB VAL A 29 3.316 -30.066 -56.952 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.764 -30.154 -57.023 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.896 -29.465 -58.270 1.00 0.00 C ATOM 0 HA VAL A 29 3.238 -29.700 -54.822 1.00 0.00 H new ATOM 0 HB VAL A 29 3.723 -31.073 -56.857 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.472 -30.713 -57.912 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.387 -30.662 -56.135 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.344 -29.149 -57.072 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.555 -30.056 -59.120 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.554 -28.436 -58.382 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.985 -29.482 -58.229 1.00 0.00 H new ATOM 445 N SER A 30 5.605 -29.722 -54.124 1.00 0.00 N ATOM 446 CA SER A 30 6.969 -29.869 -53.595 1.00 0.00 C ATOM 447 C SER A 30 6.867 -30.458 -52.180 1.00 0.00 C ATOM 448 O SER A 30 5.948 -30.109 -51.427 1.00 0.00 O ATOM 449 CB SER A 30 7.715 -28.505 -53.573 1.00 0.00 C ATOM 450 OG SER A 30 6.967 -27.517 -52.878 1.00 0.00 O ATOM 0 H SER A 30 4.888 -29.906 -53.422 1.00 0.00 H new ATOM 0 HA SER A 30 7.545 -30.534 -54.239 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.688 -28.628 -53.098 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.899 -28.173 -54.595 1.00 0.00 H new ATOM 0 HG SER A 30 7.462 -26.671 -52.879 1.00 0.00 H new ATOM 456 N VAL A 31 7.790 -31.362 -51.834 1.00 0.00 N ATOM 457 CA VAL A 31 7.811 -32.032 -50.520 1.00 0.00 C ATOM 458 C VAL A 31 9.114 -31.669 -49.797 1.00 0.00 C ATOM 459 O VAL A 31 10.200 -31.830 -50.356 1.00 0.00 O ATOM 460 CB VAL A 31 7.683 -33.601 -50.655 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.665 -34.286 -49.256 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.429 -33.980 -51.484 1.00 0.00 C ATOM 0 H VAL A 31 8.546 -31.653 -52.454 1.00 0.00 H new ATOM 0 HA VAL A 31 6.952 -31.688 -49.945 1.00 0.00 H new ATOM 0 HB VAL A 31 8.561 -33.968 -51.188 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.576 -35.365 -49.380 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.590 -34.057 -48.727 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.816 -33.916 -48.681 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.360 -35.065 -51.564 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.537 -33.596 -50.990 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.507 -33.546 -52.481 1.00 0.00 H new ATOM 472 N GLU A 32 8.986 -31.166 -48.567 1.00 0.00 N ATOM 473 CA GLU A 32 10.123 -30.834 -47.705 1.00 0.00 C ATOM 474 C GLU A 32 10.569 -32.100 -46.956 1.00 0.00 C ATOM 475 O GLU A 32 9.884 -32.570 -46.047 1.00 0.00 O ATOM 476 CB GLU A 32 9.740 -29.695 -46.717 1.00 0.00 C ATOM 477 CG GLU A 32 9.360 -28.371 -47.415 1.00 0.00 C ATOM 478 CD GLU A 32 8.885 -27.289 -46.433 1.00 0.00 C ATOM 479 OE1 GLU A 32 9.733 -26.668 -45.757 1.00 0.00 O ATOM 480 OE2 GLU A 32 7.659 -27.065 -46.321 1.00 0.00 O ATOM 0 H GLU A 32 8.081 -30.976 -48.137 1.00 0.00 H new ATOM 0 HA GLU A 32 10.954 -30.473 -48.311 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.902 -30.025 -46.103 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.577 -29.513 -46.043 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.222 -27.998 -47.969 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.572 -28.564 -48.143 1.00 0.00 H new ATOM 487 N LEU A 33 11.694 -32.673 -47.392 1.00 0.00 N ATOM 488 CA LEU A 33 12.263 -33.913 -46.818 1.00 0.00 C ATOM 489 C LEU A 33 13.089 -33.585 -45.550 1.00 0.00 C ATOM 490 O LEU A 33 13.418 -32.415 -45.338 1.00 0.00 O ATOM 491 CB LEU A 33 13.108 -34.650 -47.923 1.00 0.00 C ATOM 492 CG LEU A 33 12.316 -35.571 -48.898 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.720 -36.793 -48.171 1.00 0.00 C ATOM 494 CD2 LEU A 33 11.238 -34.790 -49.653 1.00 0.00 C ATOM 0 H LEU A 33 12.247 -32.292 -48.160 1.00 0.00 H new ATOM 0 HA LEU A 33 11.467 -34.588 -46.504 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.631 -33.897 -48.513 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.869 -35.252 -47.427 1.00 0.00 H new ATOM 0 HG LEU A 33 13.026 -35.948 -49.634 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.175 -37.411 -48.885 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.524 -37.378 -47.724 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.039 -36.455 -47.390 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.704 -35.463 -50.325 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.536 -34.357 -48.940 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.705 -33.993 -50.233 1.00 0.00 H new ATOM 506 N PRO A 34 13.424 -34.602 -44.663 1.00 0.00 N ATOM 507 CA PRO A 34 14.207 -34.359 -43.419 1.00 0.00 C ATOM 508 C PRO A 34 15.576 -33.703 -43.693 1.00 0.00 C ATOM 509 O PRO A 34 16.276 -34.076 -44.642 1.00 0.00 O ATOM 510 CB PRO A 34 14.365 -35.775 -42.786 1.00 0.00 C ATOM 511 CG PRO A 34 14.079 -36.731 -43.903 1.00 0.00 C ATOM 512 CD PRO A 34 13.041 -36.042 -44.758 1.00 0.00 C ATOM 0 HA PRO A 34 13.702 -33.655 -42.758 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.370 -35.920 -42.389 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.671 -35.917 -41.957 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.980 -36.948 -44.476 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.707 -37.682 -43.522 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.066 -36.398 -45.788 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.032 -36.216 -44.385 1.00 0.00 H new ATOM 520 N ALA A 35 15.925 -32.713 -42.857 1.00 0.00 N ATOM 521 CA ALA A 35 17.114 -31.856 -43.033 1.00 0.00 C ATOM 522 C ALA A 35 18.036 -31.902 -41.804 1.00 0.00 C ATOM 523 O ALA A 35 17.596 -32.293 -40.725 1.00 0.00 O ATOM 524 CB ALA A 35 16.665 -30.398 -43.251 1.00 0.00 C ATOM 0 H ALA A 35 15.382 -32.479 -42.026 1.00 0.00 H new ATOM 0 HA ALA A 35 17.666 -32.229 -43.896 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.541 -29.763 -43.381 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.039 -30.339 -44.141 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.097 -30.059 -42.385 1.00 0.00 H new ATOM 530 N PRO A 36 19.335 -31.480 -41.959 1.00 0.00 N ATOM 531 CA PRO A 36 20.176 -31.047 -40.815 1.00 0.00 C ATOM 532 C PRO A 36 19.560 -29.775 -40.164 1.00 0.00 C ATOM 533 O PRO A 36 18.996 -28.944 -40.874 1.00 0.00 O ATOM 534 CB PRO A 36 21.559 -30.762 -41.465 1.00 0.00 C ATOM 535 CG PRO A 36 21.262 -30.529 -42.916 1.00 0.00 C ATOM 536 CD PRO A 36 20.088 -31.421 -43.245 1.00 0.00 C ATOM 0 HA PRO A 36 20.252 -31.783 -40.015 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.036 -29.891 -41.014 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.239 -31.603 -41.331 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.022 -29.482 -43.103 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.125 -30.774 -43.536 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.480 -31.006 -44.049 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.412 -32.410 -43.568 1.00 0.00 H new ATOM 544 N SER A 37 19.702 -29.641 -38.833 1.00 0.00 N ATOM 545 CA SER A 37 18.998 -28.615 -38.016 1.00 0.00 C ATOM 546 C SER A 37 19.313 -27.164 -38.469 1.00 0.00 C ATOM 547 O SER A 37 18.424 -26.298 -38.475 1.00 0.00 O ATOM 548 CB SER A 37 19.377 -28.801 -36.525 1.00 0.00 C ATOM 549 OG SER A 37 19.151 -30.135 -36.091 1.00 0.00 O ATOM 0 H SER A 37 20.313 -30.244 -38.282 1.00 0.00 H new ATOM 0 HA SER A 37 17.927 -28.761 -38.157 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.426 -28.544 -36.381 1.00 0.00 H new ATOM 0 HB3 SER A 37 18.793 -28.114 -35.912 1.00 0.00 H new ATOM 0 HG SER A 37 19.402 -30.219 -35.147 1.00 0.00 H new ATOM 555 N SER A 38 20.580 -26.924 -38.858 1.00 0.00 N ATOM 556 CA SER A 38 21.059 -25.599 -39.319 1.00 0.00 C ATOM 557 C SER A 38 20.461 -25.227 -40.692 1.00 0.00 C ATOM 558 O SER A 38 20.173 -24.055 -40.965 1.00 0.00 O ATOM 559 CB SER A 38 22.601 -25.600 -39.405 1.00 0.00 C ATOM 560 OG SER A 38 23.180 -25.915 -38.153 1.00 0.00 O ATOM 0 H SER A 38 21.304 -27.642 -38.863 1.00 0.00 H new ATOM 0 HA SER A 38 20.731 -24.853 -38.595 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.926 -26.324 -40.152 1.00 0.00 H new ATOM 0 HB3 SER A 38 22.951 -24.622 -39.735 1.00 0.00 H new ATOM 0 HG SER A 38 24.157 -25.911 -38.234 1.00 0.00 H new ATOM 566 N TRP A 39 20.279 -26.249 -41.541 1.00 0.00 N ATOM 567 CA TRP A 39 19.807 -26.088 -42.929 1.00 0.00 C ATOM 568 C TRP A 39 18.330 -26.515 -43.052 1.00 0.00 C ATOM 569 O TRP A 39 17.693 -26.894 -42.065 1.00 0.00 O ATOM 570 CB TRP A 39 20.698 -26.925 -43.892 1.00 0.00 C ATOM 571 CG TRP A 39 22.112 -26.420 -44.018 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.067 -26.358 -43.036 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.732 -25.926 -45.205 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.232 -25.847 -43.544 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.050 -25.581 -44.875 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.291 -25.747 -46.515 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.933 -25.067 -45.808 1.00 0.00 C ATOM 578 CZ3 TRP A 39 23.166 -25.237 -47.444 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.476 -24.902 -47.092 1.00 0.00 C ATOM 0 H TRP A 39 20.456 -27.220 -41.284 1.00 0.00 H new ATOM 0 HA TRP A 39 19.881 -25.036 -43.205 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.722 -27.957 -43.542 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.238 -26.934 -44.880 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.922 -26.667 -42.011 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.092 -25.691 -43.018 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.280 -26.004 -46.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.945 -24.805 -45.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.836 -25.093 -48.462 1.00 0.00 H new ATOM 0 HH2 TRP A 39 25.142 -24.506 -47.844 1.00 0.00 H new ATOM 590 N LYS A 40 17.795 -26.412 -44.276 1.00 0.00 N ATOM 591 CA LYS A 40 16.445 -26.892 -44.630 1.00 0.00 C ATOM 592 C LYS A 40 16.567 -27.701 -45.931 1.00 0.00 C ATOM 593 O LYS A 40 17.479 -27.472 -46.721 1.00 0.00 O ATOM 594 CB LYS A 40 15.423 -25.694 -44.743 1.00 0.00 C ATOM 595 CG LYS A 40 14.165 -25.799 -43.839 1.00 0.00 C ATOM 596 CD LYS A 40 14.511 -25.943 -42.339 1.00 0.00 C ATOM 597 CE LYS A 40 15.301 -24.741 -41.771 1.00 0.00 C ATOM 598 NZ LYS A 40 15.869 -25.044 -40.436 1.00 0.00 N ATOM 0 H LYS A 40 18.291 -25.988 -45.060 1.00 0.00 H new ATOM 0 HA LYS A 40 16.045 -27.536 -43.847 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.946 -24.769 -44.501 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.098 -25.614 -45.780 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.547 -24.912 -43.980 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.569 -26.656 -44.153 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.588 -26.062 -41.771 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.094 -26.852 -42.194 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.105 -24.476 -42.458 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.644 -23.874 -41.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.259 -24.175 -40.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.122 -25.419 -39.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.625 -25.751 -40.533 1.00 0.00 H new ATOM 612 N LYS A 41 15.659 -28.662 -46.128 1.00 0.00 N ATOM 613 CA LYS A 41 15.726 -29.645 -47.225 1.00 0.00 C ATOM 614 C LYS A 41 14.364 -29.743 -47.918 1.00 0.00 C ATOM 615 O LYS A 41 13.360 -30.119 -47.314 1.00 0.00 O ATOM 616 CB LYS A 41 16.193 -31.014 -46.645 1.00 0.00 C ATOM 617 CG LYS A 41 15.884 -32.280 -47.465 1.00 0.00 C ATOM 618 CD LYS A 41 16.549 -32.324 -48.840 1.00 0.00 C ATOM 619 CE LYS A 41 16.195 -33.611 -49.598 1.00 0.00 C ATOM 620 NZ LYS A 41 16.637 -34.815 -48.853 1.00 0.00 N ATOM 0 H LYS A 41 14.845 -28.784 -45.525 1.00 0.00 H new ATOM 0 HA LYS A 41 16.448 -29.332 -47.979 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.272 -30.965 -46.497 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.741 -31.133 -45.660 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.201 -33.153 -46.894 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.805 -32.359 -47.595 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.235 -31.459 -49.424 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.631 -32.255 -48.724 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.118 -33.656 -49.759 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.664 -33.597 -50.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.130 -35.462 -49.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.283 -34.532 -48.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.809 -35.296 -48.447 1.00 0.00 H new ATOM 634 N LEU A 42 14.367 -29.390 -49.199 1.00 0.00 N ATOM 635 CA LEU A 42 13.222 -29.508 -50.098 1.00 0.00 C ATOM 636 C LEU A 42 13.624 -30.387 -51.290 1.00 0.00 C ATOM 637 O LEU A 42 14.766 -30.353 -51.745 1.00 0.00 O ATOM 638 CB LEU A 42 12.745 -28.078 -50.525 1.00 0.00 C ATOM 639 CG LEU A 42 11.774 -27.977 -51.769 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.765 -26.809 -51.642 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.568 -27.836 -53.097 1.00 0.00 C ATOM 0 H LEU A 42 15.192 -29.001 -49.656 1.00 0.00 H new ATOM 0 HA LEU A 42 12.377 -29.987 -49.604 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.247 -27.620 -49.671 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.629 -27.477 -50.738 1.00 0.00 H new ATOM 0 HG LEU A 42 11.209 -28.909 -51.786 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.123 -26.786 -52.522 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.154 -26.952 -50.751 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.307 -25.867 -51.563 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.871 -27.769 -53.932 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.179 -26.934 -53.061 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.211 -28.706 -53.230 1.00 0.00 H new ATOM 653 N PHE A 43 12.660 -31.173 -51.768 1.00 0.00 N ATOM 654 CA PHE A 43 12.758 -31.956 -53.000 1.00 0.00 C ATOM 655 C PHE A 43 11.538 -31.654 -53.882 1.00 0.00 C ATOM 656 O PHE A 43 10.445 -31.367 -53.376 1.00 0.00 O ATOM 657 CB PHE A 43 12.833 -33.463 -52.654 1.00 0.00 C ATOM 658 CG PHE A 43 12.830 -34.399 -53.870 1.00 0.00 C ATOM 659 CD1 PHE A 43 13.843 -34.337 -54.829 1.00 0.00 C ATOM 660 CD2 PHE A 43 11.812 -35.331 -54.059 1.00 0.00 C ATOM 661 CE1 PHE A 43 13.831 -35.170 -55.930 1.00 0.00 C ATOM 662 CE2 PHE A 43 11.804 -36.166 -55.160 1.00 0.00 C ATOM 663 CZ PHE A 43 12.811 -36.083 -56.095 1.00 0.00 C ATOM 0 H PHE A 43 11.763 -31.286 -51.295 1.00 0.00 H new ATOM 0 HA PHE A 43 13.662 -31.687 -53.546 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.738 -33.645 -52.075 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.988 -33.718 -52.014 1.00 0.00 H new ATOM 0 HD1 PHE A 43 14.648 -33.627 -54.708 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.016 -35.402 -53.333 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.622 -35.106 -56.663 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.007 -36.884 -55.287 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.802 -36.733 -56.958 1.00 0.00 H new ATOM 673 N TYR A 44 11.749 -31.702 -55.200 1.00 0.00 N ATOM 674 CA TYR A 44 10.672 -31.613 -56.204 1.00 0.00 C ATOM 675 C TYR A 44 10.346 -33.022 -56.764 1.00 0.00 C ATOM 676 O TYR A 44 11.105 -33.544 -57.572 1.00 0.00 O ATOM 677 CB TYR A 44 11.082 -30.627 -57.331 1.00 0.00 C ATOM 678 CG TYR A 44 10.744 -29.163 -57.031 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.707 -28.273 -56.559 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.442 -28.684 -57.199 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.383 -26.961 -56.269 1.00 0.00 C ATOM 682 CE2 TYR A 44 9.118 -27.374 -56.914 1.00 0.00 C ATOM 683 CZ TYR A 44 10.089 -26.518 -56.449 1.00 0.00 C ATOM 684 OH TYR A 44 9.768 -25.210 -56.165 1.00 0.00 O ATOM 0 H TYR A 44 12.678 -31.804 -55.609 1.00 0.00 H new ATOM 0 HA TYR A 44 9.767 -31.228 -55.735 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.155 -30.714 -57.503 1.00 0.00 H new ATOM 0 HB3 TYR A 44 10.586 -30.922 -58.256 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.722 -28.614 -56.418 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.674 -29.353 -57.559 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.141 -26.284 -55.902 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.107 -27.022 -57.055 1.00 0.00 H new ATOM 0 HH TYR A 44 8.817 -25.060 -56.347 1.00 0.00 H new ATOM 694 N PRO A 45 9.240 -33.680 -56.285 1.00 0.00 N ATOM 695 CA PRO A 45 8.779 -34.994 -56.806 1.00 0.00 C ATOM 696 C PRO A 45 7.841 -34.873 -58.032 1.00 0.00 C ATOM 697 O PRO A 45 7.611 -33.777 -58.559 1.00 0.00 O ATOM 698 CB PRO A 45 8.032 -35.569 -55.578 1.00 0.00 C ATOM 699 CG PRO A 45 7.370 -34.365 -54.983 1.00 0.00 C ATOM 700 CD PRO A 45 8.374 -33.229 -55.154 1.00 0.00 C ATOM 0 HA PRO A 45 9.596 -35.614 -57.175 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.304 -36.326 -55.868 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.718 -36.040 -54.874 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.432 -34.141 -55.491 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.133 -34.526 -53.931 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.876 -32.287 -55.384 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.955 -33.069 -54.246 1.00 0.00 H new ATOM 852 N GLU A 55 15.807 -31.855 -59.118 1.00 0.00 N ATOM 853 CA GLU A 55 16.763 -32.076 -58.022 1.00 0.00 C ATOM 854 C GLU A 55 16.374 -31.296 -56.741 1.00 0.00 C ATOM 855 O GLU A 55 15.461 -30.452 -56.723 1.00 0.00 O ATOM 856 CB GLU A 55 18.227 -31.726 -58.455 1.00 0.00 C ATOM 857 CG GLU A 55 18.422 -30.330 -59.111 1.00 0.00 C ATOM 858 CD GLU A 55 18.506 -30.388 -60.652 1.00 0.00 C ATOM 859 OE1 GLU A 55 17.459 -30.430 -61.324 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.630 -30.433 -61.199 1.00 0.00 O ATOM 0 HA GLU A 55 16.722 -33.139 -57.786 1.00 0.00 H new ATOM 0 HB2 GLU A 55 18.870 -31.787 -57.577 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.571 -32.487 -59.156 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.595 -29.682 -58.823 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.333 -29.876 -58.721 1.00 0.00 H new ATOM 867 N VAL A 56 17.126 -31.585 -55.692 1.00 0.00 N ATOM 868 CA VAL A 56 16.900 -31.080 -54.345 1.00 0.00 C ATOM 869 C VAL A 56 17.453 -29.647 -54.205 1.00 0.00 C ATOM 870 O VAL A 56 18.446 -29.291 -54.842 1.00 0.00 O ATOM 871 CB VAL A 56 17.617 -32.054 -53.337 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.819 -31.430 -51.944 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.879 -33.413 -53.250 1.00 0.00 C ATOM 0 H VAL A 56 17.939 -32.198 -55.755 1.00 0.00 H new ATOM 0 HA VAL A 56 15.832 -31.040 -54.131 1.00 0.00 H new ATOM 0 HB VAL A 56 18.615 -32.237 -53.737 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.318 -32.148 -51.293 1.00 0.00 H new ATOM 0 HG12 VAL A 56 18.432 -30.533 -52.032 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.850 -31.167 -51.519 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.398 -34.064 -52.546 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.857 -33.251 -52.908 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.863 -33.882 -54.234 1.00 0.00 H new ATOM 883 N VAL A 57 16.761 -28.827 -53.389 1.00 0.00 N ATOM 884 CA VAL A 57 17.215 -27.482 -52.996 1.00 0.00 C ATOM 885 C VAL A 57 17.319 -27.416 -51.455 1.00 0.00 C ATOM 886 O VAL A 57 16.321 -27.593 -50.748 1.00 0.00 O ATOM 887 CB VAL A 57 16.239 -26.357 -53.522 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.764 -24.932 -53.154 1.00 0.00 C ATOM 889 CG2 VAL A 57 16.009 -26.510 -55.052 1.00 0.00 C ATOM 0 H VAL A 57 15.862 -29.084 -52.981 1.00 0.00 H new ATOM 0 HA VAL A 57 18.191 -27.302 -53.447 1.00 0.00 H new ATOM 0 HB VAL A 57 15.276 -26.478 -53.026 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.070 -24.180 -53.530 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.844 -24.842 -52.071 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.745 -24.778 -53.604 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.334 -25.727 -55.399 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.962 -26.425 -55.574 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.569 -27.486 -55.258 1.00 0.00 H new ATOM 899 N PHE A 58 18.549 -27.208 -50.954 1.00 0.00 N ATOM 900 CA PHE A 58 18.815 -26.935 -49.529 1.00 0.00 C ATOM 901 C PHE A 58 18.779 -25.420 -49.261 1.00 0.00 C ATOM 902 O PHE A 58 19.367 -24.638 -50.011 1.00 0.00 O ATOM 903 CB PHE A 58 20.195 -27.519 -49.087 1.00 0.00 C ATOM 904 CG PHE A 58 20.167 -29.007 -48.736 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.332 -29.984 -49.710 1.00 0.00 C ATOM 906 CD2 PHE A 58 19.973 -29.425 -47.416 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.306 -31.327 -49.384 1.00 0.00 C ATOM 908 CE2 PHE A 58 19.946 -30.768 -47.092 1.00 0.00 C ATOM 909 CZ PHE A 58 20.112 -31.716 -48.077 1.00 0.00 C ATOM 0 H PHE A 58 19.392 -27.224 -51.529 1.00 0.00 H new ATOM 0 HA PHE A 58 18.035 -27.423 -48.945 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.917 -27.361 -49.888 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.552 -26.961 -48.222 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.483 -29.689 -50.738 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.842 -28.687 -46.638 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.438 -32.072 -50.155 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.795 -31.074 -46.067 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.090 -32.766 -47.824 1.00 0.00 H new ATOM 919 N VAL A 59 18.067 -25.023 -48.201 1.00 0.00 N ATOM 920 CA VAL A 59 18.124 -23.659 -47.660 1.00 0.00 C ATOM 921 C VAL A 59 19.297 -23.559 -46.683 1.00 0.00 C ATOM 922 O VAL A 59 19.454 -24.404 -45.797 1.00 0.00 O ATOM 923 CB VAL A 59 16.778 -23.258 -46.953 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.933 -22.043 -45.991 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.675 -22.993 -47.994 1.00 0.00 C ATOM 0 H VAL A 59 17.433 -25.639 -47.692 1.00 0.00 H new ATOM 0 HA VAL A 59 18.271 -22.962 -48.485 1.00 0.00 H new ATOM 0 HB VAL A 59 16.487 -24.107 -46.334 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.970 -21.815 -45.534 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.656 -22.286 -45.212 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.282 -21.176 -46.553 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.752 -22.717 -47.484 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.983 -22.180 -48.652 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.508 -23.894 -48.584 1.00 0.00 H new ATOM 935 N ALA A 60 20.092 -22.500 -46.852 1.00 0.00 N ATOM 936 CA ALA A 60 21.270 -22.223 -46.010 1.00 0.00 C ATOM 937 C ALA A 60 20.869 -21.415 -44.767 1.00 0.00 C ATOM 938 O ALA A 60 19.904 -20.633 -44.830 1.00 0.00 O ATOM 939 CB ALA A 60 22.345 -21.477 -46.825 1.00 0.00 C ATOM 0 H ALA A 60 19.940 -21.803 -47.581 1.00 0.00 H new ATOM 0 HA ALA A 60 21.689 -23.172 -45.675 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.209 -21.279 -46.191 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.650 -22.091 -47.673 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.937 -20.534 -47.188 1.00 0.00 H new ATOM 945 N PRO A 61 21.647 -21.525 -43.638 1.00 0.00 N ATOM 946 CA PRO A 61 21.380 -20.747 -42.390 1.00 0.00 C ATOM 947 C PRO A 61 21.662 -19.228 -42.548 1.00 0.00 C ATOM 948 O PRO A 61 21.447 -18.448 -41.619 1.00 0.00 O ATOM 949 CB PRO A 61 22.346 -21.401 -41.357 1.00 0.00 C ATOM 950 CG PRO A 61 23.478 -21.928 -42.188 1.00 0.00 C ATOM 951 CD PRO A 61 22.835 -22.421 -43.468 1.00 0.00 C ATOM 0 HA PRO A 61 20.331 -20.788 -42.097 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.696 -20.674 -40.624 1.00 0.00 H new ATOM 0 HB3 PRO A 61 21.854 -22.200 -40.803 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.213 -21.149 -42.391 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.001 -22.734 -41.674 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.518 -22.345 -44.314 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.539 -23.467 -43.390 1.00 0.00 H new ATOM 959 N THR A 62 22.158 -18.828 -43.735 1.00 0.00 N ATOM 960 CA THR A 62 22.489 -17.424 -44.066 1.00 0.00 C ATOM 961 C THR A 62 21.588 -16.884 -45.208 1.00 0.00 C ATOM 962 O THR A 62 21.632 -15.687 -45.529 1.00 0.00 O ATOM 963 CB THR A 62 23.998 -17.322 -44.472 1.00 0.00 C ATOM 964 OG1 THR A 62 24.383 -15.955 -44.676 1.00 0.00 O ATOM 965 CG2 THR A 62 24.296 -18.138 -45.743 1.00 0.00 C ATOM 0 H THR A 62 22.343 -19.476 -44.501 1.00 0.00 H new ATOM 0 HA THR A 62 22.307 -16.811 -43.183 1.00 0.00 H new ATOM 0 HB THR A 62 24.580 -17.737 -43.649 1.00 0.00 H new ATOM 0 HG1 THR A 62 23.602 -15.433 -44.954 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.352 -18.045 -45.996 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.056 -19.187 -45.567 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.691 -17.761 -46.568 1.00 0.00 H new ATOM 973 N GLY A 63 20.784 -17.786 -45.828 1.00 0.00 N ATOM 974 CA GLY A 63 19.886 -17.411 -46.934 1.00 0.00 C ATOM 975 C GLY A 63 20.495 -17.625 -48.325 1.00 0.00 C ATOM 976 O GLY A 63 19.764 -17.610 -49.323 1.00 0.00 O ATOM 0 H GLY A 63 20.744 -18.774 -45.576 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.967 -17.992 -46.857 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.610 -16.362 -46.826 1.00 0.00 H new ATOM 980 N GLU A 64 21.835 -17.813 -48.396 1.00 0.00 N ATOM 981 CA GLU A 64 22.538 -18.172 -49.653 1.00 0.00 C ATOM 982 C GLU A 64 22.346 -19.679 -49.934 1.00 0.00 C ATOM 983 O GLU A 64 23.216 -20.513 -49.638 1.00 0.00 O ATOM 984 CB GLU A 64 24.046 -17.789 -49.579 1.00 0.00 C ATOM 985 CG GLU A 64 24.846 -18.097 -50.864 1.00 0.00 C ATOM 986 CD GLU A 64 26.340 -17.759 -50.741 1.00 0.00 C ATOM 987 OE1 GLU A 64 27.030 -18.388 -49.913 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.839 -16.868 -51.466 1.00 0.00 O ATOM 0 H GLU A 64 22.455 -17.721 -47.591 1.00 0.00 H new ATOM 0 HA GLU A 64 22.108 -17.606 -50.480 1.00 0.00 H new ATOM 0 HB2 GLU A 64 24.128 -16.724 -49.361 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.503 -18.321 -48.745 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.738 -19.154 -51.107 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.419 -17.534 -51.694 1.00 0.00 H new ATOM 995 N GLU A 65 21.170 -20.004 -50.487 1.00 0.00 N ATOM 996 CA GLU A 65 20.680 -21.386 -50.654 1.00 0.00 C ATOM 997 C GLU A 65 21.488 -22.152 -51.713 1.00 0.00 C ATOM 998 O GLU A 65 22.113 -21.547 -52.595 1.00 0.00 O ATOM 999 CB GLU A 65 19.186 -21.346 -51.056 1.00 0.00 C ATOM 1000 CG GLU A 65 18.290 -20.580 -50.067 1.00 0.00 C ATOM 1001 CD GLU A 65 16.906 -20.263 -50.642 1.00 0.00 C ATOM 1002 OE1 GLU A 65 16.095 -21.196 -50.805 1.00 0.00 O ATOM 1003 OE2 GLU A 65 16.622 -19.081 -50.931 1.00 0.00 O ATOM 0 H GLU A 65 20.517 -19.303 -50.839 1.00 0.00 H new ATOM 0 HA GLU A 65 20.802 -21.912 -49.707 1.00 0.00 H new ATOM 0 HB2 GLU A 65 19.098 -20.887 -52.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.818 -22.368 -51.147 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.174 -21.169 -49.157 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.782 -19.650 -49.783 1.00 0.00 H new ATOM 1010 N ILE A 66 21.473 -23.481 -51.605 1.00 0.00 N ATOM 1011 CA ILE A 66 22.149 -24.384 -52.541 1.00 0.00 C ATOM 1012 C ILE A 66 21.097 -25.163 -53.354 1.00 0.00 C ATOM 1013 O ILE A 66 20.258 -25.852 -52.776 1.00 0.00 O ATOM 1014 CB ILE A 66 23.076 -25.389 -51.775 1.00 0.00 C ATOM 1015 CG1 ILE A 66 24.083 -24.643 -50.826 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.807 -26.305 -52.771 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.962 -23.598 -51.479 1.00 0.00 C ATOM 0 H ILE A 66 20.984 -23.969 -50.854 1.00 0.00 H new ATOM 0 HA ILE A 66 22.768 -23.789 -53.213 1.00 0.00 H new ATOM 0 HB ILE A 66 22.448 -26.012 -51.137 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.513 -24.164 -50.030 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.726 -25.387 -50.355 1.00 0.00 H new ATOM 0 HG21 ILE A 66 24.447 -26.998 -52.225 1.00 0.00 H new ATOM 0 HG22 ILE A 66 23.076 -26.867 -53.352 1.00 0.00 H new ATOM 0 HG23 ILE A 66 24.416 -25.700 -53.442 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.614 -23.151 -50.729 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.568 -24.066 -52.255 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.337 -22.824 -51.924 1.00 0.00 H new ATOM 1029 N SER A 67 21.159 -25.045 -54.687 1.00 0.00 N ATOM 1030 CA SER A 67 20.196 -25.689 -55.610 1.00 0.00 C ATOM 1031 C SER A 67 20.751 -26.994 -56.229 1.00 0.00 C ATOM 1032 O SER A 67 19.994 -27.751 -56.850 1.00 0.00 O ATOM 1033 CB SER A 67 19.829 -24.680 -56.716 1.00 0.00 C ATOM 1034 OG SER A 67 20.979 -24.208 -57.403 1.00 0.00 O ATOM 0 H SER A 67 21.878 -24.500 -55.164 1.00 0.00 H new ATOM 0 HA SER A 67 19.310 -25.972 -55.042 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.149 -25.151 -57.426 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.297 -23.837 -56.276 1.00 0.00 H new ATOM 0 HG SER A 67 20.707 -23.572 -58.097 1.00 0.00 H new ATOM 1040 N ASN A 68 22.067 -27.251 -56.061 1.00 0.00 N ATOM 1041 CA ASN A 68 22.728 -28.440 -56.644 1.00 0.00 C ATOM 1042 C ASN A 68 23.972 -28.848 -55.826 1.00 0.00 C ATOM 1043 O ASN A 68 24.641 -27.997 -55.234 1.00 0.00 O ATOM 1044 CB ASN A 68 23.050 -28.225 -58.165 1.00 0.00 C ATOM 1045 CG ASN A 68 23.698 -26.880 -58.550 1.00 0.00 C ATOM 1046 OD1 ASN A 68 24.545 -26.311 -57.705 1.00 0.00 O flip ATOM 1047 ND2 ASN A 68 23.436 -26.350 -59.628 1.00 0.00 N flip ATOM 0 H ASN A 68 22.693 -26.650 -55.526 1.00 0.00 H new ATOM 0 HA ASN A 68 22.030 -29.276 -56.588 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.712 -29.028 -58.490 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.122 -28.330 -58.728 1.00 0.00 H new ATOM 0 HD21 ASN A 68 22.782 -26.797 -60.271 1.00 0.00 H new ATOM 0 HD22 ASN A 68 23.872 -25.463 -59.880 1.00 0.00 H new ATOM 1054 N ARG A 69 24.274 -30.164 -55.846 1.00 0.00 N ATOM 1055 CA ARG A 69 25.259 -30.837 -54.952 1.00 0.00 C ATOM 1056 C ARG A 69 26.680 -30.207 -54.983 1.00 0.00 C ATOM 1057 O ARG A 69 27.387 -30.213 -53.962 1.00 0.00 O ATOM 1058 CB ARG A 69 25.325 -32.338 -55.337 1.00 0.00 C ATOM 1059 CG ARG A 69 26.280 -33.194 -54.475 1.00 0.00 C ATOM 1060 CD ARG A 69 26.423 -34.643 -54.980 1.00 0.00 C ATOM 1061 NE ARG A 69 25.211 -35.445 -54.741 1.00 0.00 N ATOM 1062 CZ ARG A 69 24.377 -35.917 -55.679 1.00 0.00 C ATOM 1063 NH1 ARG A 69 24.508 -35.575 -56.962 1.00 0.00 N ATOM 1064 NH2 ARG A 69 23.402 -36.730 -55.318 1.00 0.00 N ATOM 0 H ARG A 69 23.831 -30.810 -56.499 1.00 0.00 H new ATOM 0 HA ARG A 69 24.910 -30.706 -53.928 1.00 0.00 H new ATOM 0 HB2 ARG A 69 24.322 -32.759 -55.268 1.00 0.00 H new ATOM 0 HB3 ARG A 69 25.633 -32.417 -56.380 1.00 0.00 H new ATOM 0 HG2 ARG A 69 27.263 -32.724 -54.458 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.916 -33.209 -53.448 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.643 -34.632 -56.047 1.00 0.00 H new ATOM 0 HD3 ARG A 69 27.271 -35.115 -54.484 1.00 0.00 H new ATOM 0 HE ARG A 69 24.985 -35.662 -53.770 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.255 -34.942 -57.247 1.00 0.00 H new ATOM 0 HH12 ARG A 69 23.861 -35.947 -57.658 1.00 0.00 H new ATOM 0 HH21 ARG A 69 23.292 -36.990 -54.338 1.00 0.00 H new ATOM 0 HH22 ARG A 69 22.759 -37.098 -56.019 1.00 0.00 H new ATOM 1078 N LYS A 70 27.081 -29.670 -56.154 1.00 0.00 N ATOM 1079 CA LYS A 70 28.411 -29.034 -56.349 1.00 0.00 C ATOM 1080 C LYS A 70 28.562 -27.851 -55.388 1.00 0.00 C ATOM 1081 O LYS A 70 29.510 -27.795 -54.598 1.00 0.00 O ATOM 1082 CB LYS A 70 28.607 -28.576 -57.839 1.00 0.00 C ATOM 1083 CG LYS A 70 30.059 -28.142 -58.238 1.00 0.00 C ATOM 1084 CD LYS A 70 30.429 -26.680 -57.833 1.00 0.00 C ATOM 1085 CE LYS A 70 31.925 -26.362 -57.999 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.347 -26.432 -59.418 1.00 0.00 N ATOM 0 H LYS A 70 26.498 -29.662 -56.991 1.00 0.00 H new ATOM 0 HA LYS A 70 29.186 -29.769 -56.130 1.00 0.00 H new ATOM 0 HB2 LYS A 70 28.300 -29.393 -58.493 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.933 -27.742 -58.034 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.770 -28.826 -57.774 1.00 0.00 H new ATOM 0 HG3 LYS A 70 30.173 -28.247 -59.317 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.848 -25.985 -58.438 1.00 0.00 H new ATOM 0 HD3 LYS A 70 30.143 -26.515 -56.794 1.00 0.00 H new ATOM 0 HE2 LYS A 70 32.131 -25.366 -57.607 1.00 0.00 H new ATOM 0 HE3 LYS A 70 32.514 -27.065 -57.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.361 -26.212 -59.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.174 -27.390 -59.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.803 -25.744 -59.976 1.00 0.00 H new ATOM 1100 N GLN A 71 27.582 -26.929 -55.450 1.00 0.00 N ATOM 1101 CA GLN A 71 27.598 -25.687 -54.653 1.00 0.00 C ATOM 1102 C GLN A 71 27.522 -25.975 -53.150 1.00 0.00 C ATOM 1103 O GLN A 71 27.926 -25.143 -52.363 1.00 0.00 O ATOM 1104 CB GLN A 71 26.469 -24.721 -55.090 1.00 0.00 C ATOM 1105 CG GLN A 71 26.659 -24.157 -56.515 1.00 0.00 C ATOM 1106 CD GLN A 71 27.893 -23.258 -56.679 1.00 0.00 C ATOM 1107 OE1 GLN A 71 28.272 -22.525 -55.768 1.00 0.00 O ATOM 1108 NE2 GLN A 71 28.529 -23.308 -57.849 1.00 0.00 N ATOM 0 H GLN A 71 26.762 -27.023 -56.050 1.00 0.00 H new ATOM 0 HA GLN A 71 28.552 -25.196 -54.845 1.00 0.00 H new ATOM 0 HB2 GLN A 71 25.514 -25.244 -55.039 1.00 0.00 H new ATOM 0 HB3 GLN A 71 26.417 -23.892 -54.384 1.00 0.00 H new ATOM 0 HG2 GLN A 71 26.734 -24.989 -57.215 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.771 -23.588 -56.790 1.00 0.00 H new ATOM 0 HE21 GLN A 71 28.191 -23.926 -58.587 1.00 0.00 H new ATOM 0 HE22 GLN A 71 29.353 -22.728 -58.007 1.00 0.00 H new ATOM 1117 N LEU A 72 27.028 -27.172 -52.776 1.00 0.00 N ATOM 1118 CA LEU A 72 26.979 -27.628 -51.368 1.00 0.00 C ATOM 1119 C LEU A 72 28.416 -27.905 -50.884 1.00 0.00 C ATOM 1120 O LEU A 72 28.845 -27.374 -49.861 1.00 0.00 O ATOM 1121 CB LEU A 72 26.078 -28.913 -51.249 1.00 0.00 C ATOM 1122 CG LEU A 72 25.419 -29.220 -49.859 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.440 -29.558 -48.767 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.491 -28.068 -49.429 1.00 0.00 C ATOM 0 H LEU A 72 26.652 -27.850 -53.438 1.00 0.00 H new ATOM 0 HA LEU A 72 26.538 -26.856 -50.738 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.280 -28.832 -51.987 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.685 -29.774 -51.529 1.00 0.00 H new ATOM 0 HG LEU A 72 24.817 -30.119 -49.990 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.919 -29.760 -47.831 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.010 -30.439 -49.062 1.00 0.00 H new ATOM 0 HD13 LEU A 72 27.118 -28.716 -48.630 1.00 0.00 H new ATOM 0 HD21 LEU A 72 24.045 -28.302 -48.462 1.00 0.00 H new ATOM 0 HD22 LEU A 72 25.068 -27.147 -49.349 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.703 -27.939 -50.171 1.00 0.00 H new ATOM 1136 N GLU A 73 29.135 -28.732 -51.657 1.00 0.00 N ATOM 1137 CA GLU A 73 30.520 -29.146 -51.357 1.00 0.00 C ATOM 1138 C GLU A 73 31.461 -27.940 -51.237 1.00 0.00 C ATOM 1139 O GLU A 73 32.123 -27.748 -50.201 1.00 0.00 O ATOM 1140 CB GLU A 73 31.001 -30.121 -52.468 1.00 0.00 C ATOM 1141 CG GLU A 73 30.379 -31.535 -52.387 1.00 0.00 C ATOM 1142 CD GLU A 73 31.073 -32.448 -51.358 1.00 0.00 C ATOM 1143 OE1 GLU A 73 31.078 -32.108 -50.159 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.628 -33.504 -51.743 1.00 0.00 O ATOM 0 H GLU A 73 28.770 -29.139 -52.518 1.00 0.00 H new ATOM 0 HA GLU A 73 30.538 -29.651 -50.391 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.766 -29.689 -53.441 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.086 -30.210 -52.412 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.324 -31.446 -52.130 1.00 0.00 H new ATOM 0 HG3 GLU A 73 30.429 -32.003 -53.370 1.00 0.00 H new ATOM 1151 N GLN A 74 31.468 -27.107 -52.289 1.00 0.00 N ATOM 1152 CA GLN A 74 32.342 -25.932 -52.367 1.00 0.00 C ATOM 1153 C GLN A 74 31.937 -24.865 -51.317 1.00 0.00 C ATOM 1154 O GLN A 74 32.774 -24.068 -50.892 1.00 0.00 O ATOM 1155 CB GLN A 74 32.411 -25.387 -53.836 1.00 0.00 C ATOM 1156 CG GLN A 74 31.105 -24.813 -54.443 1.00 0.00 C ATOM 1157 CD GLN A 74 30.792 -23.368 -54.057 1.00 0.00 C ATOM 1158 OE1 GLN A 74 30.093 -23.103 -53.087 1.00 0.00 O ATOM 1159 NE2 GLN A 74 31.343 -22.422 -54.795 1.00 0.00 N ATOM 0 H GLN A 74 30.869 -27.230 -53.106 1.00 0.00 H new ATOM 0 HA GLN A 74 33.360 -26.225 -52.109 1.00 0.00 H new ATOM 0 HB2 GLN A 74 33.171 -24.606 -53.871 1.00 0.00 H new ATOM 0 HB3 GLN A 74 32.755 -26.196 -54.480 1.00 0.00 H new ATOM 0 HG2 GLN A 74 31.169 -24.877 -55.529 1.00 0.00 H new ATOM 0 HG3 GLN A 74 30.271 -25.444 -54.135 1.00 0.00 H new ATOM 0 HE21 GLN A 74 31.921 -22.673 -55.597 1.00 0.00 H new ATOM 0 HE22 GLN A 74 31.191 -21.440 -54.563 1.00 0.00 H new ATOM 1168 N TYR A 75 30.649 -24.892 -50.882 1.00 0.00 N ATOM 1169 CA TYR A 75 30.144 -24.021 -49.798 1.00 0.00 C ATOM 1170 C TYR A 75 30.821 -24.397 -48.475 1.00 0.00 C ATOM 1171 O TYR A 75 31.425 -23.549 -47.846 1.00 0.00 O ATOM 1172 CB TYR A 75 28.605 -24.148 -49.658 1.00 0.00 C ATOM 1173 CG TYR A 75 27.930 -23.203 -48.649 1.00 0.00 C ATOM 1174 CD1 TYR A 75 27.295 -22.028 -49.067 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.909 -23.493 -47.281 1.00 0.00 C ATOM 1176 CE1 TYR A 75 26.665 -21.199 -48.162 1.00 0.00 C ATOM 1177 CE2 TYR A 75 27.290 -22.659 -46.382 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.669 -21.521 -46.826 1.00 0.00 C ATOM 1179 OH TYR A 75 26.028 -20.712 -45.935 1.00 0.00 O ATOM 0 H TYR A 75 29.941 -25.514 -51.272 1.00 0.00 H new ATOM 0 HA TYR A 75 30.381 -22.987 -50.047 1.00 0.00 H new ATOM 0 HB2 TYR A 75 28.158 -23.978 -50.637 1.00 0.00 H new ATOM 0 HB3 TYR A 75 28.371 -25.174 -49.374 1.00 0.00 H new ATOM 0 HD1 TYR A 75 27.298 -21.766 -50.115 1.00 0.00 H new ATOM 0 HD2 TYR A 75 28.390 -24.392 -46.924 1.00 0.00 H new ATOM 0 HE1 TYR A 75 26.171 -20.301 -48.502 1.00 0.00 H new ATOM 0 HE2 TYR A 75 27.293 -22.899 -45.329 1.00 0.00 H new ATOM 0 HH TYR A 75 26.124 -21.080 -45.032 1.00 0.00 H new ATOM 1189 N LEU A 76 30.721 -25.689 -48.090 1.00 0.00 N ATOM 1190 CA LEU A 76 31.180 -26.188 -46.764 1.00 0.00 C ATOM 1191 C LEU A 76 32.690 -25.946 -46.550 1.00 0.00 C ATOM 1192 O LEU A 76 33.124 -25.589 -45.454 1.00 0.00 O ATOM 1193 CB LEU A 76 30.875 -27.699 -46.614 1.00 0.00 C ATOM 1194 CG LEU A 76 29.393 -28.152 -46.796 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.258 -29.669 -46.561 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.418 -27.340 -45.913 1.00 0.00 C ATOM 0 H LEU A 76 30.322 -26.416 -48.683 1.00 0.00 H new ATOM 0 HA LEU A 76 30.633 -25.628 -46.006 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.484 -28.239 -47.338 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.204 -28.013 -45.623 1.00 0.00 H new ATOM 0 HG LEU A 76 29.109 -27.945 -47.828 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.218 -29.966 -46.692 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.882 -30.205 -47.277 1.00 0.00 H new ATOM 0 HD13 LEU A 76 29.579 -29.910 -45.548 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.400 -27.693 -46.076 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.684 -27.469 -44.864 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.482 -26.284 -46.176 1.00 0.00 H new ATOM 1208 N LYS A 77 33.479 -26.143 -47.622 1.00 0.00 N ATOM 1209 CA LYS A 77 34.952 -25.964 -47.582 1.00 0.00 C ATOM 1210 C LYS A 77 35.353 -24.475 -47.688 1.00 0.00 C ATOM 1211 O LYS A 77 36.509 -24.118 -47.449 1.00 0.00 O ATOM 1212 CB LYS A 77 35.628 -26.841 -48.681 1.00 0.00 C ATOM 1213 CG LYS A 77 35.165 -26.586 -50.143 1.00 0.00 C ATOM 1214 CD LYS A 77 35.949 -25.475 -50.881 1.00 0.00 C ATOM 1215 CE LYS A 77 37.416 -25.850 -51.152 1.00 0.00 C ATOM 1216 NZ LYS A 77 38.138 -24.763 -51.852 1.00 0.00 N ATOM 0 H LYS A 77 33.123 -26.428 -48.534 1.00 0.00 H new ATOM 0 HA LYS A 77 35.315 -26.304 -46.612 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.705 -26.684 -48.630 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.447 -27.889 -48.442 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.258 -27.514 -50.707 1.00 0.00 H new ATOM 0 HG3 LYS A 77 34.107 -26.322 -50.135 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.455 -25.258 -51.828 1.00 0.00 H new ATOM 0 HD3 LYS A 77 35.917 -24.561 -50.288 1.00 0.00 H new ATOM 0 HE2 LYS A 77 37.916 -26.070 -50.209 1.00 0.00 H new ATOM 0 HE3 LYS A 77 37.454 -26.759 -51.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 39.123 -25.051 -52.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 37.676 -24.570 -52.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 38.123 -23.903 -51.267 1.00 0.00 H new ATOM 1230 N SER A 78 34.399 -23.615 -48.092 1.00 0.00 N ATOM 1231 CA SER A 78 34.570 -22.143 -48.097 1.00 0.00 C ATOM 1232 C SER A 78 33.854 -21.492 -46.888 1.00 0.00 C ATOM 1233 O SER A 78 34.019 -20.297 -46.633 1.00 0.00 O ATOM 1234 CB SER A 78 34.019 -21.570 -49.429 1.00 0.00 C ATOM 1235 OG SER A 78 34.196 -20.161 -49.520 1.00 0.00 O ATOM 0 H SER A 78 33.484 -23.919 -48.426 1.00 0.00 H new ATOM 0 HA SER A 78 35.632 -21.911 -48.012 1.00 0.00 H new ATOM 0 HB2 SER A 78 34.522 -22.053 -50.267 1.00 0.00 H new ATOM 0 HB3 SER A 78 32.959 -21.808 -49.514 1.00 0.00 H new ATOM 0 HG SER A 78 34.352 -19.792 -48.625 1.00 0.00 H new ATOM 1241 N HIS A 79 33.045 -22.284 -46.156 1.00 0.00 N ATOM 1242 CA HIS A 79 32.238 -21.814 -45.007 1.00 0.00 C ATOM 1243 C HIS A 79 32.326 -22.848 -43.862 1.00 0.00 C ATOM 1244 O HIS A 79 31.493 -23.770 -43.792 1.00 0.00 O ATOM 1245 CB HIS A 79 30.741 -21.586 -45.398 1.00 0.00 C ATOM 1246 CG HIS A 79 30.502 -20.495 -46.410 1.00 0.00 C ATOM 1247 ND1 HIS A 79 30.214 -19.201 -46.055 1.00 0.00 N ATOM 1248 CD2 HIS A 79 30.483 -20.520 -47.769 1.00 0.00 C ATOM 1249 CE1 HIS A 79 30.030 -18.480 -47.140 1.00 0.00 C ATOM 1250 NE2 HIS A 79 30.188 -19.253 -48.192 1.00 0.00 N ATOM 0 H HIS A 79 32.931 -23.280 -46.346 1.00 0.00 H new ATOM 0 HA HIS A 79 32.643 -20.856 -44.682 1.00 0.00 H new ATOM 0 HB2 HIS A 79 30.339 -22.519 -45.792 1.00 0.00 H new ATOM 0 HB3 HIS A 79 30.178 -21.352 -44.495 1.00 0.00 H new ATOM 0 HD2 HIS A 79 30.666 -21.379 -48.397 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.789 -17.427 -47.163 1.00 0.00 H new ATOM 0 HE2 HIS A 79 30.104 -18.956 -49.164 1.00 0.00 H new ATOM 1259 N PRO A 80 33.363 -22.746 -42.967 1.00 0.00 N ATOM 1260 CA PRO A 80 33.473 -23.622 -41.774 1.00 0.00 C ATOM 1261 C PRO A 80 32.401 -23.259 -40.713 1.00 0.00 C ATOM 1262 O PRO A 80 32.084 -22.077 -40.518 1.00 0.00 O ATOM 1263 CB PRO A 80 34.916 -23.360 -41.270 1.00 0.00 C ATOM 1264 CG PRO A 80 35.224 -21.964 -41.723 1.00 0.00 C ATOM 1265 CD PRO A 80 34.504 -21.784 -43.048 1.00 0.00 C ATOM 0 HA PRO A 80 33.298 -24.676 -41.992 1.00 0.00 H new ATOM 0 HB2 PRO A 80 34.980 -23.449 -40.185 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.620 -24.078 -41.691 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.882 -21.232 -40.991 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.298 -21.820 -41.840 1.00 0.00 H new ATOM 0 HD2 PRO A 80 34.155 -20.760 -43.178 1.00 0.00 H new ATOM 0 HD3 PRO A 80 35.157 -22.008 -43.892 1.00 0.00 H new ATOM 1273 N GLY A 81 31.839 -24.282 -40.051 1.00 0.00 N ATOM 1274 CA GLY A 81 30.724 -24.101 -39.108 1.00 0.00 C ATOM 1275 C GLY A 81 29.462 -24.815 -39.583 1.00 0.00 C ATOM 1276 O GLY A 81 28.554 -25.090 -38.792 1.00 0.00 O ATOM 0 H GLY A 81 32.141 -25.251 -40.153 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.011 -24.482 -38.128 1.00 0.00 H new ATOM 0 HA3 GLY A 81 30.517 -23.037 -38.988 1.00 0.00 H new ATOM 1280 N ASN A 82 29.408 -25.107 -40.891 1.00 0.00 N ATOM 1281 CA ASN A 82 28.292 -25.844 -41.514 1.00 0.00 C ATOM 1282 C ASN A 82 28.606 -27.360 -41.520 1.00 0.00 C ATOM 1283 O ASN A 82 29.763 -27.745 -41.758 1.00 0.00 O ATOM 1284 CB ASN A 82 28.050 -25.329 -42.959 1.00 0.00 C ATOM 1285 CG ASN A 82 27.620 -23.863 -42.999 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.431 -23.549 -42.953 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.587 -22.955 -43.092 1.00 0.00 N ATOM 0 H ASN A 82 30.138 -24.839 -41.551 1.00 0.00 H new ATOM 0 HA ASN A 82 27.384 -25.677 -40.935 1.00 0.00 H new ATOM 0 HB2 ASN A 82 28.963 -25.451 -43.542 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.284 -25.941 -43.435 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.353 -21.963 -43.127 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.563 -23.251 -43.128 1.00 0.00 H new ATOM 1294 N PRO A 83 27.585 -28.244 -41.252 1.00 0.00 N ATOM 1295 CA PRO A 83 27.785 -29.716 -41.204 1.00 0.00 C ATOM 1296 C PRO A 83 28.063 -30.334 -42.596 1.00 0.00 C ATOM 1297 O PRO A 83 27.736 -29.736 -43.627 1.00 0.00 O ATOM 1298 CB PRO A 83 26.464 -30.233 -40.587 1.00 0.00 C ATOM 1299 CG PRO A 83 25.437 -29.209 -40.962 1.00 0.00 C ATOM 1300 CD PRO A 83 26.162 -27.878 -40.979 1.00 0.00 C ATOM 0 HA PRO A 83 28.665 -29.996 -40.625 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.203 -31.216 -40.979 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.546 -30.333 -39.505 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.004 -29.430 -41.937 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.617 -29.198 -40.244 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.765 -27.217 -41.750 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.060 -27.356 -40.028 1.00 0.00 H new ATOM 1308 N ALA A 84 28.669 -31.544 -42.587 1.00 0.00 N ATOM 1309 CA ALA A 84 29.146 -32.238 -43.803 1.00 0.00 C ATOM 1310 C ALA A 84 27.992 -32.739 -44.684 1.00 0.00 C ATOM 1311 O ALA A 84 26.918 -33.049 -44.185 1.00 0.00 O ATOM 1312 CB ALA A 84 30.060 -33.421 -43.438 1.00 0.00 C ATOM 0 H ALA A 84 28.841 -32.068 -41.729 1.00 0.00 H new ATOM 0 HA ALA A 84 29.711 -31.502 -44.375 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.397 -33.915 -44.349 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.924 -33.056 -42.882 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.507 -34.132 -42.824 1.00 0.00 H new ATOM 1318 N ILE A 85 28.276 -32.886 -45.997 1.00 0.00 N ATOM 1319 CA ILE A 85 27.298 -33.341 -47.015 1.00 0.00 C ATOM 1320 C ILE A 85 26.879 -34.820 -46.788 1.00 0.00 C ATOM 1321 O ILE A 85 25.915 -35.303 -47.399 1.00 0.00 O ATOM 1322 CB ILE A 85 27.860 -33.143 -48.475 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.715 -33.243 -49.545 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.002 -34.147 -48.778 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.133 -32.879 -50.956 1.00 0.00 C ATOM 0 H ILE A 85 29.199 -32.691 -46.385 1.00 0.00 H new ATOM 0 HA ILE A 85 26.408 -32.721 -46.904 1.00 0.00 H new ATOM 0 HB ILE A 85 28.279 -32.138 -48.534 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.326 -34.261 -49.547 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.896 -32.590 -49.243 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.369 -33.986 -49.792 1.00 0.00 H new ATOM 0 HG22 ILE A 85 29.816 -33.997 -48.069 1.00 0.00 H new ATOM 0 HG23 ILE A 85 28.625 -35.166 -48.686 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.278 -32.977 -51.625 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.493 -31.850 -50.975 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.929 -33.548 -51.284 1.00 0.00 H new ATOM 1337 N ALA A 86 27.623 -35.522 -45.903 1.00 0.00 N ATOM 1338 CA ALA A 86 27.325 -36.907 -45.468 1.00 0.00 C ATOM 1339 C ALA A 86 25.875 -37.054 -44.952 1.00 0.00 C ATOM 1340 O ALA A 86 25.202 -38.052 -45.236 1.00 0.00 O ATOM 1341 CB ALA A 86 28.323 -37.338 -44.378 1.00 0.00 C ATOM 0 H ALA A 86 28.460 -35.137 -45.464 1.00 0.00 H new ATOM 0 HA ALA A 86 27.428 -37.557 -46.337 1.00 0.00 H new ATOM 0 HB1 ALA A 86 28.099 -38.357 -44.062 1.00 0.00 H new ATOM 0 HB2 ALA A 86 29.337 -37.296 -44.776 1.00 0.00 H new ATOM 0 HB3 ALA A 86 28.241 -36.667 -43.523 1.00 0.00 H new ATOM 1347 N GLU A 87 25.412 -36.034 -44.209 1.00 0.00 N ATOM 1348 CA GLU A 87 24.040 -35.986 -43.648 1.00 0.00 C ATOM 1349 C GLU A 87 23.062 -35.215 -44.569 1.00 0.00 C ATOM 1350 O GLU A 87 21.850 -35.196 -44.315 1.00 0.00 O ATOM 1351 CB GLU A 87 24.074 -35.361 -42.230 1.00 0.00 C ATOM 1352 CG GLU A 87 24.776 -33.993 -42.153 1.00 0.00 C ATOM 1353 CD GLU A 87 24.867 -33.438 -40.728 1.00 0.00 C ATOM 1354 OE1 GLU A 87 25.905 -33.637 -40.061 1.00 0.00 O ATOM 1355 OE2 GLU A 87 23.898 -32.813 -40.250 1.00 0.00 O ATOM 0 H GLU A 87 25.975 -35.216 -43.977 1.00 0.00 H new ATOM 0 HA GLU A 87 23.668 -37.008 -43.580 1.00 0.00 H new ATOM 0 HB2 GLU A 87 23.051 -35.251 -41.870 1.00 0.00 H new ATOM 0 HB3 GLU A 87 24.577 -36.052 -41.554 1.00 0.00 H new ATOM 0 HG2 GLU A 87 25.781 -34.084 -42.565 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.239 -33.281 -42.779 1.00 0.00 H new ATOM 1362 N PHE A 88 23.594 -34.569 -45.621 1.00 0.00 N ATOM 1363 CA PHE A 88 22.787 -33.856 -46.631 1.00 0.00 C ATOM 1364 C PHE A 88 22.351 -34.845 -47.724 1.00 0.00 C ATOM 1365 O PHE A 88 23.176 -35.327 -48.508 1.00 0.00 O ATOM 1366 CB PHE A 88 23.582 -32.679 -47.265 1.00 0.00 C ATOM 1367 CG PHE A 88 23.829 -31.489 -46.338 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.540 -30.199 -46.753 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.365 -31.648 -45.065 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.782 -29.121 -45.939 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.600 -30.567 -44.248 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.314 -29.301 -44.688 1.00 0.00 C ATOM 0 H PHE A 88 24.598 -34.526 -45.797 1.00 0.00 H new ATOM 0 HA PHE A 88 21.910 -33.437 -46.138 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.544 -33.056 -47.611 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.042 -32.328 -48.145 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.117 -30.039 -47.734 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.602 -32.640 -44.711 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.552 -28.124 -46.286 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.010 -30.716 -43.260 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.507 -28.449 -44.053 1.00 0.00 H new ATOM 1382 N ASP A 89 21.049 -35.133 -47.757 1.00 0.00 N ATOM 1383 CA ASP A 89 20.450 -36.070 -48.705 1.00 0.00 C ATOM 1384 C ASP A 89 20.073 -35.332 -50.004 1.00 0.00 C ATOM 1385 O ASP A 89 19.379 -34.315 -49.965 1.00 0.00 O ATOM 1386 CB ASP A 89 19.199 -36.759 -48.089 1.00 0.00 C ATOM 1387 CG ASP A 89 18.517 -37.700 -49.083 1.00 0.00 C ATOM 1388 OD1 ASP A 89 17.679 -37.231 -49.859 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.833 -38.894 -49.104 1.00 0.00 O ATOM 0 H ASP A 89 20.373 -34.716 -47.117 1.00 0.00 H new ATOM 0 HA ASP A 89 21.181 -36.845 -48.936 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.494 -37.320 -47.202 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.489 -35.998 -47.764 1.00 0.00 H new ATOM 1394 N TRP A 90 20.558 -35.861 -51.129 1.00 0.00 N ATOM 1395 CA TRP A 90 20.204 -35.425 -52.494 1.00 0.00 C ATOM 1396 C TRP A 90 19.532 -36.593 -53.271 1.00 0.00 C ATOM 1397 O TRP A 90 19.056 -36.407 -54.398 1.00 0.00 O ATOM 1398 CB TRP A 90 21.491 -34.957 -53.233 1.00 0.00 C ATOM 1399 CG TRP A 90 22.169 -33.761 -52.590 1.00 0.00 C ATOM 1400 CD1 TRP A 90 23.084 -33.764 -51.568 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.956 -32.385 -52.922 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.452 -32.478 -51.259 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.768 -31.617 -52.075 1.00 0.00 C ATOM 1404 CE3 TRP A 90 21.157 -31.732 -53.857 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.795 -30.230 -52.136 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 21.188 -30.356 -53.913 1.00 0.00 C ATOM 1407 CH2 TRP A 90 22.000 -29.616 -53.057 1.00 0.00 C ATOM 0 H TRP A 90 21.229 -36.629 -51.122 1.00 0.00 H new ATOM 0 HA TRP A 90 19.498 -34.596 -52.439 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.198 -35.786 -53.271 1.00 0.00 H new ATOM 0 HB3 TRP A 90 21.236 -34.708 -54.263 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.460 -34.650 -51.078 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.124 -32.208 -50.540 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.524 -32.295 -54.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.426 -29.656 -51.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.571 -29.841 -54.634 1.00 0.00 H new ATOM 0 HH2 TRP A 90 22.000 -28.538 -53.124 1.00 0.00 H new ATOM 1418 N THR A 91 19.467 -37.782 -52.624 1.00 0.00 N ATOM 1419 CA THR A 91 19.103 -39.062 -53.276 1.00 0.00 C ATOM 1420 C THR A 91 17.696 -39.559 -52.847 1.00 0.00 C ATOM 1421 O THR A 91 17.328 -40.702 -53.141 1.00 0.00 O ATOM 1422 CB THR A 91 20.214 -40.153 -53.003 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.986 -41.349 -53.778 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.315 -40.530 -51.517 1.00 0.00 C ATOM 0 H THR A 91 19.667 -37.880 -51.629 1.00 0.00 H new ATOM 0 HA THR A 91 19.052 -38.885 -54.350 1.00 0.00 H new ATOM 0 HB THR A 91 21.156 -39.698 -53.308 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.025 -41.541 -53.809 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.092 -41.282 -51.385 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.564 -39.644 -50.933 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.360 -40.931 -51.178 1.00 0.00 H new