USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 SER OG : rot 180:sc= 0.142 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.499 K(o=-0.36,f=-6.1!) 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= -0.0079 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= -3.21! (180deg=-5.24!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -22:sc= 0.222 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0829) USER MOD Single : A 71 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.8!) USER MOD Single : A 74 GLN : amide:sc= -0.01 K(o=-0.01,f=-0.78) USER MOD Single : A 75 TYR OH : rot -140:sc= -1.67! USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 82 ASN : amide:sc= 0.0174 K(o=0.017,f=-3.2!) USER MOD Single : A 91 THR OG1 : rot -34:sc= 0.566 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 4.150 -28.992 -55.568 1.00 0.00 N ATOM 430 CA VAL A 29 4.182 -29.888 -54.387 1.00 0.00 C ATOM 431 C VAL A 29 5.626 -30.242 -53.957 1.00 0.00 C ATOM 432 O VAL A 29 6.416 -30.774 -54.744 1.00 0.00 O ATOM 433 CB VAL A 29 3.320 -31.197 -54.620 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.819 -30.841 -54.748 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.803 -32.003 -55.861 1.00 0.00 C ATOM 0 HA VAL A 29 3.729 -29.332 -53.566 1.00 0.00 H new ATOM 0 HB VAL A 29 3.457 -31.837 -53.748 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.241 -31.752 -54.908 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.482 -30.353 -53.834 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.676 -30.168 -55.593 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.183 -32.891 -55.982 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.723 -31.381 -56.753 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.842 -32.302 -55.719 1.00 0.00 H new ATOM 445 N SER A 30 5.949 -29.932 -52.689 1.00 0.00 N ATOM 446 CA SER A 30 7.276 -30.151 -52.097 1.00 0.00 C ATOM 447 C SER A 30 7.115 -30.763 -50.698 1.00 0.00 C ATOM 448 O SER A 30 6.180 -30.416 -49.959 1.00 0.00 O ATOM 449 CB SER A 30 8.045 -28.809 -52.010 1.00 0.00 C ATOM 450 OG SER A 30 7.282 -27.835 -51.321 1.00 0.00 O ATOM 0 H SER A 30 5.283 -29.516 -52.038 1.00 0.00 H new ATOM 0 HA SER A 30 7.845 -30.837 -52.725 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.995 -28.962 -51.498 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.277 -28.452 -53.013 1.00 0.00 H new ATOM 0 HG SER A 30 7.787 -26.996 -51.276 1.00 0.00 H new ATOM 456 N VAL A 31 8.011 -31.699 -50.358 1.00 0.00 N ATOM 457 CA VAL A 31 8.092 -32.325 -49.027 1.00 0.00 C ATOM 458 C VAL A 31 9.510 -32.125 -48.474 1.00 0.00 C ATOM 459 O VAL A 31 10.490 -32.496 -49.129 1.00 0.00 O ATOM 460 CB VAL A 31 7.735 -33.866 -49.061 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.925 -34.524 -47.666 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.291 -34.086 -49.584 1.00 0.00 C ATOM 0 H VAL A 31 8.713 -32.050 -51.010 1.00 0.00 H new ATOM 0 HA VAL A 31 7.356 -31.846 -48.381 1.00 0.00 H new ATOM 0 HB VAL A 31 8.426 -34.351 -49.751 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.671 -35.582 -47.725 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.963 -34.417 -47.352 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.274 -34.035 -46.941 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.068 -35.153 -49.599 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.585 -33.577 -48.928 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.204 -33.683 -50.593 1.00 0.00 H new ATOM 472 N GLU A 32 9.607 -31.516 -47.279 1.00 0.00 N ATOM 473 CA GLU A 32 10.882 -31.318 -46.581 1.00 0.00 C ATOM 474 C GLU A 32 11.273 -32.595 -45.816 1.00 0.00 C ATOM 475 O GLU A 32 10.622 -32.981 -44.837 1.00 0.00 O ATOM 476 CB GLU A 32 10.828 -30.082 -45.636 1.00 0.00 C ATOM 477 CG GLU A 32 10.648 -28.738 -46.368 1.00 0.00 C ATOM 478 CD GLU A 32 10.676 -27.521 -45.425 1.00 0.00 C ATOM 479 OE1 GLU A 32 9.633 -27.223 -44.800 1.00 0.00 O ATOM 480 OE2 GLU A 32 11.734 -26.859 -45.304 1.00 0.00 O ATOM 0 H GLU A 32 8.801 -31.148 -46.773 1.00 0.00 H new ATOM 0 HA GLU A 32 11.652 -31.116 -47.325 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.007 -30.212 -44.931 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.747 -30.045 -45.051 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.436 -28.630 -47.113 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.700 -28.750 -46.906 1.00 0.00 H new ATOM 487 N LEU A 33 12.329 -33.253 -46.313 1.00 0.00 N ATOM 488 CA LEU A 33 12.886 -34.503 -45.743 1.00 0.00 C ATOM 489 C LEU A 33 13.892 -34.169 -44.604 1.00 0.00 C ATOM 490 O LEU A 33 14.290 -33.002 -44.471 1.00 0.00 O ATOM 491 CB LEU A 33 13.555 -35.329 -46.899 1.00 0.00 C ATOM 492 CG LEU A 33 12.619 -36.251 -47.747 1.00 0.00 C ATOM 493 CD1 LEU A 33 12.129 -37.455 -46.934 1.00 0.00 C ATOM 494 CD2 LEU A 33 11.435 -35.474 -48.327 1.00 0.00 C ATOM 0 H LEU A 33 12.835 -32.931 -47.138 1.00 0.00 H new ATOM 0 HA LEU A 33 12.094 -35.108 -45.301 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.044 -34.629 -47.576 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.337 -35.950 -46.463 1.00 0.00 H new ATOM 0 HG LEU A 33 13.213 -36.626 -48.580 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.481 -38.074 -47.555 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.985 -38.043 -46.604 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.572 -37.105 -46.065 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.808 -36.148 -48.910 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.849 -35.044 -47.515 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.804 -34.675 -48.970 1.00 0.00 H new ATOM 506 N PRO A 34 14.295 -35.172 -43.732 1.00 0.00 N ATOM 507 CA PRO A 34 15.258 -34.933 -42.618 1.00 0.00 C ATOM 508 C PRO A 34 16.644 -34.424 -43.087 1.00 0.00 C ATOM 509 O PRO A 34 17.120 -34.771 -44.175 1.00 0.00 O ATOM 510 CB PRO A 34 15.360 -36.323 -41.915 1.00 0.00 C ATOM 511 CG PRO A 34 14.882 -37.308 -42.936 1.00 0.00 C ATOM 512 CD PRO A 34 13.810 -36.584 -43.710 1.00 0.00 C ATOM 0 HA PRO A 34 14.912 -34.138 -41.958 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.384 -36.537 -41.609 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.745 -36.357 -41.016 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.695 -37.624 -43.590 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.487 -38.207 -42.462 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.699 -36.987 -44.717 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.838 -36.668 -43.225 1.00 0.00 H new ATOM 520 N ALA A 35 17.287 -33.617 -42.215 1.00 0.00 N ATOM 521 CA ALA A 35 18.533 -32.892 -42.518 1.00 0.00 C ATOM 522 C ALA A 35 19.383 -32.721 -41.232 1.00 0.00 C ATOM 523 O ALA A 35 18.895 -33.049 -40.142 1.00 0.00 O ATOM 524 CB ALA A 35 18.178 -31.522 -43.112 1.00 0.00 C ATOM 0 H ALA A 35 16.947 -33.451 -41.268 1.00 0.00 H new ATOM 0 HA ALA A 35 19.121 -33.460 -43.239 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.093 -30.976 -43.340 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.600 -31.660 -44.026 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.588 -30.955 -42.392 1.00 0.00 H new ATOM 530 N PRO A 36 20.681 -32.247 -41.332 1.00 0.00 N ATOM 531 CA PRO A 36 21.455 -31.749 -40.159 1.00 0.00 C ATOM 532 C PRO A 36 20.696 -30.667 -39.348 1.00 0.00 C ATOM 533 O PRO A 36 19.819 -29.989 -39.886 1.00 0.00 O ATOM 534 CB PRO A 36 22.734 -31.139 -40.802 1.00 0.00 C ATOM 535 CG PRO A 36 22.905 -31.904 -42.072 1.00 0.00 C ATOM 536 CD PRO A 36 21.506 -32.205 -42.572 1.00 0.00 C ATOM 0 HA PRO A 36 21.652 -32.548 -39.444 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.614 -30.072 -40.992 1.00 0.00 H new ATOM 0 HB3 PRO A 36 23.600 -31.251 -40.150 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.464 -31.323 -42.805 1.00 0.00 H new ATOM 0 HG3 PRO A 36 23.464 -32.824 -41.901 1.00 0.00 H new ATOM 0 HD2 PRO A 36 21.154 -31.436 -43.260 1.00 0.00 H new ATOM 0 HD3 PRO A 36 21.469 -33.153 -43.108 1.00 0.00 H new ATOM 544 N SER A 37 21.080 -30.506 -38.069 1.00 0.00 N ATOM 545 CA SER A 37 20.470 -29.533 -37.137 1.00 0.00 C ATOM 546 C SER A 37 20.607 -28.072 -37.641 1.00 0.00 C ATOM 547 O SER A 37 19.754 -27.226 -37.359 1.00 0.00 O ATOM 548 CB SER A 37 21.113 -29.686 -35.736 1.00 0.00 C ATOM 549 OG SER A 37 20.964 -31.013 -35.239 1.00 0.00 O ATOM 0 H SER A 37 21.830 -31.052 -37.646 1.00 0.00 H new ATOM 0 HA SER A 37 19.403 -29.749 -37.078 1.00 0.00 H new ATOM 0 HB2 SER A 37 22.172 -29.433 -35.790 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.652 -28.982 -35.043 1.00 0.00 H new ATOM 0 HG SER A 37 21.381 -31.080 -34.355 1.00 0.00 H new ATOM 555 N SER A 38 21.683 -27.797 -38.398 1.00 0.00 N ATOM 556 CA SER A 38 21.958 -26.456 -38.953 1.00 0.00 C ATOM 557 C SER A 38 21.212 -26.225 -40.284 1.00 0.00 C ATOM 558 O SER A 38 20.943 -25.076 -40.656 1.00 0.00 O ATOM 559 CB SER A 38 23.487 -26.281 -39.146 1.00 0.00 C ATOM 560 OG SER A 38 23.820 -24.986 -39.632 1.00 0.00 O ATOM 0 H SER A 38 22.386 -28.494 -38.643 1.00 0.00 H new ATOM 0 HA SER A 38 21.593 -25.710 -38.247 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.994 -26.453 -38.196 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.853 -27.035 -39.843 1.00 0.00 H new ATOM 0 HG SER A 38 24.792 -24.916 -39.738 1.00 0.00 H new ATOM 566 N TRP A 39 20.877 -27.314 -40.997 1.00 0.00 N ATOM 567 CA TRP A 39 20.289 -27.240 -42.356 1.00 0.00 C ATOM 568 C TRP A 39 18.844 -27.768 -42.390 1.00 0.00 C ATOM 569 O TRP A 39 18.305 -28.229 -41.385 1.00 0.00 O ATOM 570 CB TRP A 39 21.154 -28.054 -43.362 1.00 0.00 C ATOM 571 CG TRP A 39 22.471 -27.418 -43.722 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.542 -27.194 -42.904 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.847 -26.926 -45.012 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.556 -26.596 -43.610 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.152 -26.425 -44.904 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.199 -26.855 -46.253 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.824 -25.880 -45.984 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.872 -26.311 -47.327 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.172 -25.825 -47.186 1.00 0.00 C ATOM 0 H TRP A 39 21.003 -28.267 -40.655 1.00 0.00 H new ATOM 0 HA TRP A 39 20.274 -26.188 -42.641 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.346 -29.040 -42.939 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.578 -28.205 -44.275 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.585 -27.450 -41.856 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.463 -26.324 -43.231 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.189 -27.220 -46.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.833 -25.509 -45.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.386 -26.261 -48.290 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.673 -25.397 -48.042 1.00 0.00 H new ATOM 590 N LYS A 40 18.240 -27.670 -43.582 1.00 0.00 N ATOM 591 CA LYS A 40 16.952 -28.286 -43.919 1.00 0.00 C ATOM 592 C LYS A 40 17.072 -28.914 -45.315 1.00 0.00 C ATOM 593 O LYS A 40 17.811 -28.418 -46.164 1.00 0.00 O ATOM 594 CB LYS A 40 15.794 -27.250 -43.828 1.00 0.00 C ATOM 595 CG LYS A 40 15.185 -27.094 -42.413 1.00 0.00 C ATOM 596 CD LYS A 40 14.286 -25.845 -42.283 1.00 0.00 C ATOM 597 CE LYS A 40 15.094 -24.541 -42.369 1.00 0.00 C ATOM 598 NZ LYS A 40 14.223 -23.343 -42.405 1.00 0.00 N ATOM 0 H LYS A 40 18.645 -27.146 -44.358 1.00 0.00 H new ATOM 0 HA LYS A 40 16.707 -29.068 -43.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.164 -26.280 -44.160 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.005 -27.544 -44.520 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.601 -27.983 -42.174 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.990 -27.035 -41.680 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.533 -25.857 -43.071 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.754 -25.879 -41.333 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.765 -24.474 -41.513 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.718 -24.561 -43.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.812 -22.488 -42.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.600 -23.392 -43.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.645 -23.308 -41.541 1.00 0.00 H new ATOM 612 N LYS A 41 16.391 -30.042 -45.504 1.00 0.00 N ATOM 613 CA LYS A 41 16.395 -30.817 -46.750 1.00 0.00 C ATOM 614 C LYS A 41 14.998 -30.775 -47.356 1.00 0.00 C ATOM 615 O LYS A 41 14.007 -30.936 -46.653 1.00 0.00 O ATOM 616 CB LYS A 41 16.859 -32.275 -46.447 1.00 0.00 C ATOM 617 CG LYS A 41 16.502 -33.369 -47.480 1.00 0.00 C ATOM 618 CD LYS A 41 17.082 -33.144 -48.888 1.00 0.00 C ATOM 619 CE LYS A 41 16.725 -34.293 -49.843 1.00 0.00 C ATOM 620 NZ LYS A 41 15.267 -34.478 -49.996 1.00 0.00 N ATOM 0 H LYS A 41 15.805 -30.456 -44.779 1.00 0.00 H new ATOM 0 HA LYS A 41 17.092 -30.393 -47.473 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.943 -32.265 -46.329 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.436 -32.569 -45.486 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.855 -34.330 -47.107 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.417 -33.436 -47.556 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.703 -32.205 -49.291 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.166 -33.049 -48.824 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.166 -34.098 -50.820 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.167 -35.218 -49.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.992 -35.404 -49.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.766 -33.726 -49.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.015 -34.435 -51.004 1.00 0.00 H new ATOM 634 N LEU A 42 14.946 -30.547 -48.665 1.00 0.00 N ATOM 635 CA LEU A 42 13.712 -30.533 -49.447 1.00 0.00 C ATOM 636 C LEU A 42 13.860 -31.510 -50.623 1.00 0.00 C ATOM 637 O LEU A 42 14.937 -31.648 -51.218 1.00 0.00 O ATOM 638 CB LEU A 42 13.395 -29.075 -49.912 1.00 0.00 C ATOM 639 CG LEU A 42 12.228 -28.881 -50.957 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.501 -27.529 -50.776 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.744 -28.999 -52.408 1.00 0.00 C ATOM 0 H LEU A 42 15.779 -30.363 -49.225 1.00 0.00 H new ATOM 0 HA LEU A 42 12.867 -30.862 -48.843 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.156 -28.484 -49.028 1.00 0.00 H new ATOM 0 HB3 LEU A 42 14.304 -28.654 -50.341 1.00 0.00 H new ATOM 0 HG LEU A 42 11.513 -29.682 -50.767 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.707 -27.441 -51.517 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.071 -27.478 -49.776 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.212 -26.713 -50.907 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.915 -28.860 -53.102 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.500 -28.235 -52.589 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.182 -29.985 -52.559 1.00 0.00 H new ATOM 653 N PHE A 43 12.759 -32.192 -50.926 1.00 0.00 N ATOM 654 CA PHE A 43 12.609 -33.064 -52.091 1.00 0.00 C ATOM 655 C PHE A 43 11.351 -32.630 -52.849 1.00 0.00 C ATOM 656 O PHE A 43 10.376 -32.190 -52.231 1.00 0.00 O ATOM 657 CB PHE A 43 12.491 -34.545 -51.633 1.00 0.00 C ATOM 658 CG PHE A 43 12.308 -35.547 -52.777 1.00 0.00 C ATOM 659 CD1 PHE A 43 13.319 -35.755 -53.714 1.00 0.00 C ATOM 660 CD2 PHE A 43 11.122 -36.272 -52.918 1.00 0.00 C ATOM 661 CE1 PHE A 43 13.151 -36.649 -54.759 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.958 -37.167 -53.962 1.00 0.00 C ATOM 663 CZ PHE A 43 11.969 -37.355 -54.880 1.00 0.00 C ATOM 0 H PHE A 43 11.918 -32.153 -50.350 1.00 0.00 H new ATOM 0 HA PHE A 43 13.479 -32.984 -52.743 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.387 -34.812 -51.072 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.647 -34.635 -50.949 1.00 0.00 H new ATOM 0 HD1 PHE A 43 14.248 -35.211 -53.624 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.324 -36.133 -52.204 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.943 -36.794 -55.479 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.035 -37.720 -54.057 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.838 -38.053 -55.693 1.00 0.00 H new ATOM 673 N TYR A 44 11.388 -32.726 -54.182 1.00 0.00 N ATOM 674 CA TYR A 44 10.199 -32.511 -55.026 1.00 0.00 C ATOM 675 C TYR A 44 9.627 -33.870 -55.496 1.00 0.00 C ATOM 676 O TYR A 44 10.160 -34.470 -56.436 1.00 0.00 O ATOM 677 CB TYR A 44 10.535 -31.569 -56.223 1.00 0.00 C ATOM 678 CG TYR A 44 10.395 -30.082 -55.879 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.498 -29.248 -55.692 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.132 -29.526 -55.718 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.332 -27.912 -55.354 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.967 -28.202 -55.386 1.00 0.00 C ATOM 683 CZ TYR A 44 10.062 -27.398 -55.205 1.00 0.00 C ATOM 684 OH TYR A 44 9.887 -26.074 -54.866 1.00 0.00 O ATOM 0 H TYR A 44 12.233 -32.953 -54.706 1.00 0.00 H new ATOM 0 HA TYR A 44 9.428 -32.015 -54.437 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.555 -31.764 -56.555 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.877 -31.805 -57.059 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.494 -29.647 -55.812 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.260 -30.148 -55.857 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.194 -27.278 -55.208 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.974 -27.795 -55.268 1.00 0.00 H new ATOM 0 HH TYR A 44 8.929 -25.876 -54.803 1.00 0.00 H new ATOM 694 N PRO A 45 8.566 -34.411 -54.798 1.00 0.00 N ATOM 695 CA PRO A 45 7.886 -35.659 -55.208 1.00 0.00 C ATOM 696 C PRO A 45 6.832 -35.409 -56.305 1.00 0.00 C ATOM 697 O PRO A 45 5.658 -35.124 -56.023 1.00 0.00 O ATOM 698 CB PRO A 45 7.265 -36.160 -53.882 1.00 0.00 C ATOM 699 CG PRO A 45 6.926 -34.901 -53.138 1.00 0.00 C ATOM 700 CD PRO A 45 7.964 -33.864 -53.552 1.00 0.00 C ATOM 0 HA PRO A 45 8.556 -36.390 -55.661 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.378 -36.768 -54.062 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.967 -36.778 -53.321 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.920 -34.563 -53.385 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.951 -35.067 -52.061 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.504 -32.891 -53.728 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.717 -33.725 -52.776 1.00 0.00 H new ATOM 852 N GLU A 55 14.311 -30.880 -58.797 1.00 0.00 N ATOM 853 CA GLU A 55 15.314 -31.695 -58.095 1.00 0.00 C ATOM 854 C GLU A 55 15.292 -31.440 -56.575 1.00 0.00 C ATOM 855 O GLU A 55 14.353 -30.847 -56.033 1.00 0.00 O ATOM 856 CB GLU A 55 16.731 -31.414 -58.696 1.00 0.00 C ATOM 857 CG GLU A 55 17.231 -29.945 -58.619 1.00 0.00 C ATOM 858 CD GLU A 55 16.707 -29.058 -59.764 1.00 0.00 C ATOM 859 OE1 GLU A 55 17.270 -29.137 -60.876 1.00 0.00 O ATOM 860 OE2 GLU A 55 15.724 -28.307 -59.570 1.00 0.00 O ATOM 0 HA GLU A 55 15.069 -32.747 -58.241 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.453 -32.049 -58.182 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.726 -31.720 -59.742 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.924 -29.514 -57.666 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.321 -29.939 -58.635 1.00 0.00 H new ATOM 867 N VAL A 56 16.343 -31.933 -55.905 1.00 0.00 N ATOM 868 CA VAL A 56 16.556 -31.765 -54.470 1.00 0.00 C ATOM 869 C VAL A 56 17.183 -30.392 -54.188 1.00 0.00 C ATOM 870 O VAL A 56 18.129 -29.978 -54.866 1.00 0.00 O ATOM 871 CB VAL A 56 17.498 -32.903 -53.929 1.00 0.00 C ATOM 872 CG1 VAL A 56 18.057 -32.583 -52.524 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.774 -34.274 -53.944 1.00 0.00 C ATOM 0 H VAL A 56 17.081 -32.470 -56.360 1.00 0.00 H new ATOM 0 HA VAL A 56 15.594 -31.827 -53.962 1.00 0.00 H new ATOM 0 HB VAL A 56 18.353 -32.959 -54.603 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.701 -33.398 -52.194 1.00 0.00 H new ATOM 0 HG12 VAL A 56 18.633 -31.659 -52.564 1.00 0.00 H new ATOM 0 HG13 VAL A 56 17.231 -32.466 -51.822 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.446 -35.044 -53.566 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.887 -34.224 -53.313 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.480 -34.519 -54.965 1.00 0.00 H new ATOM 883 N VAL A 57 16.631 -29.705 -53.177 1.00 0.00 N ATOM 884 CA VAL A 57 17.143 -28.421 -52.677 1.00 0.00 C ATOM 885 C VAL A 57 17.494 -28.570 -51.188 1.00 0.00 C ATOM 886 O VAL A 57 16.697 -29.097 -50.415 1.00 0.00 O ATOM 887 CB VAL A 57 16.094 -27.254 -52.872 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.590 -25.912 -52.265 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.718 -27.087 -54.371 1.00 0.00 C ATOM 0 H VAL A 57 15.804 -30.031 -52.677 1.00 0.00 H new ATOM 0 HA VAL A 57 18.032 -28.157 -53.250 1.00 0.00 H new ATOM 0 HB VAL A 57 15.195 -27.537 -52.325 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.836 -25.141 -52.423 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.762 -26.038 -51.196 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.520 -25.615 -52.749 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.995 -26.278 -54.477 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.613 -26.852 -54.947 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.282 -28.014 -54.742 1.00 0.00 H new ATOM 899 N PHE A 58 18.703 -28.142 -50.802 1.00 0.00 N ATOM 900 CA PHE A 58 19.114 -28.047 -49.393 1.00 0.00 C ATOM 901 C PHE A 58 19.035 -26.584 -48.940 1.00 0.00 C ATOM 902 O PHE A 58 19.723 -25.720 -49.486 1.00 0.00 O ATOM 903 CB PHE A 58 20.546 -28.623 -49.178 1.00 0.00 C ATOM 904 CG PHE A 58 20.575 -30.105 -48.811 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.719 -31.090 -49.781 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.454 -30.503 -47.476 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.745 -32.428 -49.430 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.479 -31.842 -47.130 1.00 0.00 C ATOM 909 CZ PHE A 58 20.623 -32.800 -48.107 1.00 0.00 C ATOM 0 H PHE A 58 19.427 -27.851 -51.459 1.00 0.00 H new ATOM 0 HA PHE A 58 18.435 -28.647 -48.787 1.00 0.00 H new ATOM 0 HB2 PHE A 58 21.126 -28.474 -50.089 1.00 0.00 H new ATOM 0 HB3 PHE A 58 21.040 -28.055 -48.389 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.812 -30.808 -50.819 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.340 -29.755 -46.705 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.861 -33.183 -50.193 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.386 -32.135 -46.095 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.641 -33.846 -47.838 1.00 0.00 H new ATOM 919 N VAL A 59 18.200 -26.326 -47.929 1.00 0.00 N ATOM 920 CA VAL A 59 18.056 -25.008 -47.319 1.00 0.00 C ATOM 921 C VAL A 59 19.220 -24.751 -46.366 1.00 0.00 C ATOM 922 O VAL A 59 19.458 -25.520 -45.424 1.00 0.00 O ATOM 923 CB VAL A 59 16.686 -24.879 -46.560 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.677 -23.714 -45.543 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.539 -24.719 -47.560 1.00 0.00 C ATOM 0 H VAL A 59 17.600 -27.036 -47.509 1.00 0.00 H new ATOM 0 HA VAL A 59 18.068 -24.259 -48.111 1.00 0.00 H new ATOM 0 HB VAL A 59 16.548 -25.799 -45.992 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.707 -23.671 -45.048 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.458 -23.874 -44.799 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.860 -22.774 -46.064 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.596 -24.631 -47.021 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.700 -23.822 -48.158 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.503 -25.590 -48.214 1.00 0.00 H new ATOM 935 N ALA A 60 19.913 -23.642 -46.631 1.00 0.00 N ATOM 936 CA ALA A 60 21.124 -23.237 -45.913 1.00 0.00 C ATOM 937 C ALA A 60 20.768 -22.526 -44.594 1.00 0.00 C ATOM 938 O ALA A 60 19.707 -21.892 -44.513 1.00 0.00 O ATOM 939 CB ALA A 60 21.969 -22.321 -46.808 1.00 0.00 C ATOM 0 H ALA A 60 19.643 -22.987 -47.365 1.00 0.00 H new ATOM 0 HA ALA A 60 21.701 -24.128 -45.666 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.870 -22.020 -46.273 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.248 -22.856 -47.716 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.391 -21.435 -47.072 1.00 0.00 H new ATOM 945 N PRO A 61 21.662 -22.596 -43.553 1.00 0.00 N ATOM 946 CA PRO A 61 21.455 -21.905 -42.253 1.00 0.00 C ATOM 947 C PRO A 61 21.350 -20.375 -42.403 1.00 0.00 C ATOM 948 O PRO A 61 20.617 -19.722 -41.656 1.00 0.00 O ATOM 949 CB PRO A 61 22.714 -22.304 -41.422 1.00 0.00 C ATOM 950 CG PRO A 61 23.727 -22.720 -42.442 1.00 0.00 C ATOM 951 CD PRO A 61 22.930 -23.367 -43.548 1.00 0.00 C ATOM 0 HA PRO A 61 20.516 -22.196 -41.783 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.075 -21.467 -40.824 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.491 -23.117 -40.731 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.289 -21.862 -42.811 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.450 -23.417 -42.018 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.445 -23.300 -44.506 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.756 -24.425 -43.352 1.00 0.00 H new ATOM 959 N THR A 62 22.090 -19.819 -43.383 1.00 0.00 N ATOM 960 CA THR A 62 22.067 -18.374 -43.676 1.00 0.00 C ATOM 961 C THR A 62 20.913 -18.015 -44.639 1.00 0.00 C ATOM 962 O THR A 62 20.586 -16.835 -44.793 1.00 0.00 O ATOM 963 CB THR A 62 23.441 -17.882 -44.258 1.00 0.00 C ATOM 964 OG1 THR A 62 23.436 -16.457 -44.432 1.00 0.00 O ATOM 965 CG2 THR A 62 23.784 -18.545 -45.596 1.00 0.00 C ATOM 0 H THR A 62 22.714 -20.353 -43.987 1.00 0.00 H new ATOM 0 HA THR A 62 21.897 -17.858 -42.731 1.00 0.00 H new ATOM 0 HB THR A 62 24.202 -18.169 -43.532 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.511 -16.138 -44.490 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.743 -18.169 -45.953 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.845 -19.625 -45.462 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.009 -18.313 -46.326 1.00 0.00 H new ATOM 973 N GLY A 63 20.286 -19.038 -45.272 1.00 0.00 N ATOM 974 CA GLY A 63 19.215 -18.818 -46.254 1.00 0.00 C ATOM 975 C GLY A 63 19.707 -18.785 -47.700 1.00 0.00 C ATOM 976 O GLY A 63 18.901 -18.631 -48.625 1.00 0.00 O ATOM 0 H GLY A 63 20.510 -20.021 -45.114 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.471 -19.608 -46.150 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.714 -17.877 -46.028 1.00 0.00 H new ATOM 980 N GLU A 64 21.033 -18.934 -47.894 1.00 0.00 N ATOM 981 CA GLU A 64 21.663 -19.044 -49.229 1.00 0.00 C ATOM 982 C GLU A 64 21.452 -20.482 -49.756 1.00 0.00 C ATOM 983 O GLU A 64 22.373 -21.309 -49.776 1.00 0.00 O ATOM 984 CB GLU A 64 23.175 -18.678 -49.124 1.00 0.00 C ATOM 985 CG GLU A 64 23.957 -18.638 -50.454 1.00 0.00 C ATOM 986 CD GLU A 64 25.477 -18.494 -50.250 1.00 0.00 C ATOM 987 OE1 GLU A 64 25.922 -17.464 -49.700 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.237 -19.411 -50.629 1.00 0.00 O ATOM 0 H GLU A 64 21.702 -18.982 -47.126 1.00 0.00 H new ATOM 0 HA GLU A 64 21.206 -18.348 -49.933 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.259 -17.702 -48.647 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.658 -19.399 -48.464 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.755 -19.550 -51.016 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.596 -17.805 -51.057 1.00 0.00 H new ATOM 995 N GLU A 65 20.195 -20.766 -50.126 1.00 0.00 N ATOM 996 CA GLU A 65 19.715 -22.123 -50.437 1.00 0.00 C ATOM 997 C GLU A 65 20.389 -22.692 -51.700 1.00 0.00 C ATOM 998 O GLU A 65 20.737 -21.951 -52.632 1.00 0.00 O ATOM 999 CB GLU A 65 18.177 -22.096 -50.584 1.00 0.00 C ATOM 1000 CG GLU A 65 17.435 -21.685 -49.292 1.00 0.00 C ATOM 1001 CD GLU A 65 15.955 -21.350 -49.525 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.573 -20.166 -49.405 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.169 -22.261 -49.862 1.00 0.00 O ATOM 0 H GLU A 65 19.473 -20.052 -50.219 1.00 0.00 H new ATOM 0 HA GLU A 65 19.985 -22.787 -49.616 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.910 -21.403 -51.382 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.833 -23.084 -50.891 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.508 -22.495 -48.566 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.932 -20.819 -48.855 1.00 0.00 H new ATOM 1010 N ILE A 66 20.553 -24.021 -51.702 1.00 0.00 N ATOM 1011 CA ILE A 66 21.367 -24.755 -52.677 1.00 0.00 C ATOM 1012 C ILE A 66 20.474 -25.677 -53.527 1.00 0.00 C ATOM 1013 O ILE A 66 19.688 -26.437 -52.971 1.00 0.00 O ATOM 1014 CB ILE A 66 22.443 -25.618 -51.930 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.336 -24.749 -50.980 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.295 -26.416 -52.930 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.095 -23.618 -51.656 1.00 0.00 C ATOM 0 H ILE A 66 20.114 -24.628 -51.010 1.00 0.00 H new ATOM 0 HA ILE A 66 21.864 -24.037 -53.329 1.00 0.00 H new ATOM 0 HB ILE A 66 21.911 -26.329 -51.298 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.703 -24.325 -50.201 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.055 -25.403 -50.486 1.00 0.00 H new ATOM 0 HG21 ILE A 66 24.034 -27.007 -52.388 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.652 -27.080 -53.507 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.804 -25.728 -53.605 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.682 -23.078 -50.913 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.760 -24.029 -52.415 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.387 -22.935 -52.126 1.00 0.00 H new ATOM 1029 N SER A 67 20.637 -25.623 -54.857 1.00 0.00 N ATOM 1030 CA SER A 67 19.840 -26.424 -55.813 1.00 0.00 C ATOM 1031 C SER A 67 20.611 -27.657 -56.338 1.00 0.00 C ATOM 1032 O SER A 67 19.997 -28.618 -56.820 1.00 0.00 O ATOM 1033 CB SER A 67 19.439 -25.518 -56.996 1.00 0.00 C ATOM 1034 OG SER A 67 20.585 -24.938 -57.606 1.00 0.00 O ATOM 0 H SER A 67 21.327 -25.022 -55.307 1.00 0.00 H new ATOM 0 HA SER A 67 18.959 -26.799 -55.291 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.886 -26.100 -57.733 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.772 -24.731 -56.646 1.00 0.00 H new ATOM 0 HG SER A 67 20.305 -24.370 -58.354 1.00 0.00 H new ATOM 1040 N ASN A 68 21.956 -27.623 -56.248 1.00 0.00 N ATOM 1041 CA ASN A 68 22.821 -28.665 -56.848 1.00 0.00 C ATOM 1042 C ASN A 68 24.046 -28.963 -55.972 1.00 0.00 C ATOM 1043 O ASN A 68 24.475 -28.122 -55.180 1.00 0.00 O ATOM 1044 CB ASN A 68 23.270 -28.256 -58.274 1.00 0.00 C ATOM 1045 CG ASN A 68 24.064 -26.954 -58.311 1.00 0.00 C ATOM 1046 OD1 ASN A 68 25.284 -26.953 -58.219 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.367 -25.840 -58.428 1.00 0.00 N ATOM 0 H ASN A 68 22.469 -26.885 -55.766 1.00 0.00 H new ATOM 0 HA ASN A 68 22.227 -29.577 -56.914 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.878 -29.055 -58.698 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.390 -28.154 -58.908 1.00 0.00 H new ATOM 0 HD21 ASN A 68 23.845 -24.939 -58.444 1.00 0.00 H new ATOM 0 HD22 ASN A 68 22.350 -25.880 -58.502 1.00 0.00 H new ATOM 1054 N ARG A 69 24.636 -30.150 -56.192 1.00 0.00 N ATOM 1055 CA ARG A 69 25.713 -30.707 -55.353 1.00 0.00 C ATOM 1056 C ARG A 69 27.002 -29.866 -55.436 1.00 0.00 C ATOM 1057 O ARG A 69 27.769 -29.795 -54.470 1.00 0.00 O ATOM 1058 CB ARG A 69 25.979 -32.183 -55.754 1.00 0.00 C ATOM 1059 CG ARG A 69 26.762 -32.980 -54.699 1.00 0.00 C ATOM 1060 CD ARG A 69 27.036 -34.446 -55.087 1.00 0.00 C ATOM 1061 NE ARG A 69 27.471 -35.237 -53.921 1.00 0.00 N ATOM 1062 CZ ARG A 69 28.695 -35.211 -53.368 1.00 0.00 C ATOM 1063 NH1 ARG A 69 29.705 -34.570 -53.937 1.00 0.00 N ATOM 1064 NH2 ARG A 69 28.902 -35.871 -52.247 1.00 0.00 N ATOM 0 H ARG A 69 24.375 -30.759 -56.968 1.00 0.00 H new ATOM 0 HA ARG A 69 25.386 -30.675 -54.314 1.00 0.00 H new ATOM 0 HB2 ARG A 69 25.025 -32.678 -55.936 1.00 0.00 H new ATOM 0 HB3 ARG A 69 26.532 -32.201 -56.693 1.00 0.00 H new ATOM 0 HG2 ARG A 69 27.714 -32.481 -54.516 1.00 0.00 H new ATOM 0 HG3 ARG A 69 26.207 -32.962 -53.761 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.134 -34.887 -55.512 1.00 0.00 H new ATOM 0 HD3 ARG A 69 27.803 -34.482 -55.860 1.00 0.00 H new ATOM 0 HE ARG A 69 26.782 -35.858 -53.497 1.00 0.00 H new ATOM 0 HH11 ARG A 69 29.565 -34.078 -54.819 1.00 0.00 H new ATOM 0 HH12 ARG A 69 30.623 -34.568 -53.493 1.00 0.00 H new ATOM 0 HH21 ARG A 69 28.139 -36.391 -51.813 1.00 0.00 H new ATOM 0 HH22 ARG A 69 29.825 -35.862 -51.813 1.00 0.00 H new ATOM 1078 N LYS A 70 27.201 -29.215 -56.591 1.00 0.00 N ATOM 1079 CA LYS A 70 28.339 -28.312 -56.825 1.00 0.00 C ATOM 1080 C LYS A 70 28.277 -27.146 -55.825 1.00 0.00 C ATOM 1081 O LYS A 70 29.231 -26.906 -55.073 1.00 0.00 O ATOM 1082 CB LYS A 70 28.319 -27.789 -58.298 1.00 0.00 C ATOM 1083 CG LYS A 70 29.675 -27.256 -58.851 1.00 0.00 C ATOM 1084 CD LYS A 70 30.112 -25.893 -58.250 1.00 0.00 C ATOM 1085 CE LYS A 70 31.490 -25.434 -58.741 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.580 -26.357 -58.312 1.00 0.00 N ATOM 0 H LYS A 70 26.576 -29.300 -57.392 1.00 0.00 H new ATOM 0 HA LYS A 70 29.273 -28.854 -56.675 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.978 -28.597 -58.945 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.581 -26.990 -58.369 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.452 -27.994 -58.652 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.600 -27.156 -59.934 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.371 -25.136 -58.505 1.00 0.00 H new ATOM 0 HD3 LYS A 70 30.127 -25.970 -57.163 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.482 -25.366 -59.829 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.694 -24.433 -58.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.503 -25.931 -58.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.512 -26.523 -57.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 32.487 -27.262 -58.816 1.00 0.00 H new ATOM 1100 N GLN A 71 27.123 -26.449 -55.814 1.00 0.00 N ATOM 1101 CA GLN A 71 26.919 -25.260 -54.974 1.00 0.00 C ATOM 1102 C GLN A 71 26.894 -25.615 -53.476 1.00 0.00 C ATOM 1103 O GLN A 71 27.115 -24.742 -52.645 1.00 0.00 O ATOM 1104 CB GLN A 71 25.638 -24.486 -55.385 1.00 0.00 C ATOM 1105 CG GLN A 71 25.687 -23.865 -56.798 1.00 0.00 C ATOM 1106 CD GLN A 71 26.899 -22.946 -57.031 1.00 0.00 C ATOM 1107 OE1 GLN A 71 27.953 -23.390 -57.485 1.00 0.00 O ATOM 1108 NE2 GLN A 71 26.767 -21.670 -56.698 1.00 0.00 N ATOM 0 H GLN A 71 26.314 -26.695 -56.384 1.00 0.00 H new ATOM 0 HA GLN A 71 27.773 -24.603 -55.140 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.786 -25.164 -55.330 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.461 -23.692 -54.660 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.703 -24.666 -57.537 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.773 -23.295 -56.966 1.00 0.00 H new ATOM 0 HE21 GLN A 71 25.881 -21.330 -56.324 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.551 -21.028 -56.816 1.00 0.00 H new ATOM 1117 N LEU A 72 26.637 -26.896 -53.153 1.00 0.00 N ATOM 1118 CA LEU A 72 26.662 -27.393 -51.766 1.00 0.00 C ATOM 1119 C LEU A 72 28.122 -27.428 -51.270 1.00 0.00 C ATOM 1120 O LEU A 72 28.455 -26.822 -50.255 1.00 0.00 O ATOM 1121 CB LEU A 72 26.005 -28.810 -51.689 1.00 0.00 C ATOM 1122 CG LEU A 72 25.422 -29.280 -50.306 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.467 -29.327 -49.187 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.208 -28.432 -49.898 1.00 0.00 C ATOM 0 H LEU A 72 26.407 -27.612 -53.842 1.00 0.00 H new ATOM 0 HA LEU A 72 26.088 -26.726 -51.123 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.198 -28.844 -52.420 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.750 -29.541 -52.003 1.00 0.00 H new ATOM 0 HG LEU A 72 25.093 -30.309 -50.452 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.995 -29.659 -48.262 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.261 -30.022 -49.460 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.890 -28.333 -49.042 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.827 -28.780 -48.938 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.506 -27.387 -49.812 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.428 -28.526 -50.654 1.00 0.00 H new ATOM 1136 N GLU A 73 28.971 -28.151 -52.013 1.00 0.00 N ATOM 1137 CA GLU A 73 30.392 -28.359 -51.660 1.00 0.00 C ATOM 1138 C GLU A 73 31.163 -27.027 -51.648 1.00 0.00 C ATOM 1139 O GLU A 73 31.965 -26.767 -50.729 1.00 0.00 O ATOM 1140 CB GLU A 73 31.027 -29.365 -52.655 1.00 0.00 C ATOM 1141 CG GLU A 73 30.331 -30.735 -52.662 1.00 0.00 C ATOM 1142 CD GLU A 73 30.940 -31.724 -53.663 1.00 0.00 C ATOM 1143 OE1 GLU A 73 31.943 -32.387 -53.319 1.00 0.00 O ATOM 1144 OE2 GLU A 73 30.418 -31.848 -54.797 1.00 0.00 O ATOM 0 H GLU A 73 28.696 -28.612 -52.880 1.00 0.00 H new ATOM 0 HA GLU A 73 30.450 -28.772 -50.653 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.993 -28.943 -53.659 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.079 -29.501 -52.402 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.382 -31.165 -51.662 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.276 -30.597 -52.896 1.00 0.00 H new ATOM 1151 N GLN A 74 30.889 -26.168 -52.651 1.00 0.00 N ATOM 1152 CA GLN A 74 31.501 -24.841 -52.745 1.00 0.00 C ATOM 1153 C GLN A 74 30.968 -23.914 -51.627 1.00 0.00 C ATOM 1154 O GLN A 74 31.684 -23.014 -51.188 1.00 0.00 O ATOM 1155 CB GLN A 74 31.330 -24.223 -54.175 1.00 0.00 C ATOM 1156 CG GLN A 74 29.987 -23.514 -54.487 1.00 0.00 C ATOM 1157 CD GLN A 74 30.001 -21.997 -54.215 1.00 0.00 C ATOM 1158 OE1 GLN A 74 29.660 -21.543 -53.134 1.00 0.00 O ATOM 1159 NE2 GLN A 74 30.427 -21.228 -55.195 1.00 0.00 N ATOM 0 H GLN A 74 30.241 -26.379 -53.410 1.00 0.00 H new ATOM 0 HA GLN A 74 32.575 -24.949 -52.590 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.135 -23.505 -54.330 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.469 -25.020 -54.906 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.733 -23.683 -55.534 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.199 -23.973 -53.890 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.704 -21.642 -56.085 1.00 0.00 H new ATOM 0 HE22 GLN A 74 30.480 -20.218 -55.064 1.00 0.00 H new ATOM 1168 N TYR A 75 29.714 -24.152 -51.163 1.00 0.00 N ATOM 1169 CA TYR A 75 29.142 -23.444 -49.994 1.00 0.00 C ATOM 1170 C TYR A 75 29.971 -23.783 -48.748 1.00 0.00 C ATOM 1171 O TYR A 75 30.381 -22.889 -48.028 1.00 0.00 O ATOM 1172 CB TYR A 75 27.642 -23.832 -49.771 1.00 0.00 C ATOM 1173 CG TYR A 75 26.941 -23.156 -48.577 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.054 -22.094 -48.757 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.164 -23.592 -47.269 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.424 -21.500 -47.677 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.543 -22.999 -46.197 1.00 0.00 C ATOM 1178 CZ TYR A 75 25.677 -21.961 -46.399 1.00 0.00 C ATOM 1179 OH TYR A 75 25.058 -21.383 -45.317 1.00 0.00 O ATOM 0 H TYR A 75 29.080 -24.831 -51.584 1.00 0.00 H new ATOM 0 HA TYR A 75 29.178 -22.371 -50.182 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.086 -23.591 -50.677 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.582 -24.912 -49.638 1.00 0.00 H new ATOM 0 HD1 TYR A 75 25.856 -21.730 -49.754 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.841 -24.415 -47.096 1.00 0.00 H new ATOM 0 HE1 TYR A 75 24.738 -20.680 -47.832 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.739 -23.353 -45.195 1.00 0.00 H new ATOM 0 HH TYR A 75 25.696 -21.308 -44.577 1.00 0.00 H new ATOM 1189 N LEU A 76 30.211 -25.092 -48.526 1.00 0.00 N ATOM 1190 CA LEU A 76 30.850 -25.605 -47.289 1.00 0.00 C ATOM 1191 C LEU A 76 32.280 -25.051 -47.108 1.00 0.00 C ATOM 1192 O LEU A 76 32.702 -24.764 -45.985 1.00 0.00 O ATOM 1193 CB LEU A 76 30.873 -27.159 -47.279 1.00 0.00 C ATOM 1194 CG LEU A 76 29.492 -27.874 -47.397 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.653 -29.401 -47.294 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.468 -27.338 -46.365 1.00 0.00 C ATOM 0 H LEU A 76 29.970 -25.823 -49.195 1.00 0.00 H new ATOM 0 HA LEU A 76 30.247 -25.256 -46.450 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.504 -27.497 -48.101 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.350 -27.488 -46.356 1.00 0.00 H new ATOM 0 HG LEU A 76 29.090 -27.645 -48.384 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.676 -29.876 -47.379 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.299 -29.754 -48.098 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.098 -29.656 -46.332 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.521 -27.865 -46.484 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.849 -27.500 -45.357 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.313 -26.271 -46.527 1.00 0.00 H new ATOM 1208 N LYS A 77 33.012 -24.906 -48.229 1.00 0.00 N ATOM 1209 CA LYS A 77 34.369 -24.324 -48.211 1.00 0.00 C ATOM 1210 C LYS A 77 34.313 -22.781 -48.100 1.00 0.00 C ATOM 1211 O LYS A 77 35.139 -22.174 -47.412 1.00 0.00 O ATOM 1212 CB LYS A 77 35.203 -24.826 -49.436 1.00 0.00 C ATOM 1213 CG LYS A 77 34.651 -24.497 -50.855 1.00 0.00 C ATOM 1214 CD LYS A 77 35.193 -23.166 -51.435 1.00 0.00 C ATOM 1215 CE LYS A 77 34.726 -22.915 -52.882 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.250 -21.637 -53.433 1.00 0.00 N ATOM 0 H LYS A 77 32.688 -25.183 -49.156 1.00 0.00 H new ATOM 0 HA LYS A 77 34.890 -24.672 -47.319 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.206 -24.405 -49.357 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.304 -25.908 -49.355 1.00 0.00 H new ATOM 0 HG2 LYS A 77 34.907 -25.311 -51.534 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.563 -24.449 -50.811 1.00 0.00 H new ATOM 0 HD2 LYS A 77 34.867 -22.340 -50.804 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.283 -23.179 -51.406 1.00 0.00 H new ATOM 0 HE2 LYS A 77 35.052 -23.741 -53.514 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.637 -22.901 -52.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.909 -21.513 -54.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.919 -20.844 -52.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.290 -21.658 -53.431 1.00 0.00 H new ATOM 1230 N SER A 78 33.303 -22.158 -48.742 1.00 0.00 N ATOM 1231 CA SER A 78 33.128 -20.683 -48.736 1.00 0.00 C ATOM 1232 C SER A 78 32.486 -20.193 -47.418 1.00 0.00 C ATOM 1233 O SER A 78 32.524 -19.000 -47.098 1.00 0.00 O ATOM 1234 CB SER A 78 32.270 -20.261 -49.949 1.00 0.00 C ATOM 1235 OG SER A 78 32.156 -18.848 -50.067 1.00 0.00 O ATOM 0 H SER A 78 32.589 -22.654 -49.276 1.00 0.00 H new ATOM 0 HA SER A 78 34.111 -20.219 -48.809 1.00 0.00 H new ATOM 0 HB2 SER A 78 32.711 -20.665 -50.860 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.275 -20.697 -49.856 1.00 0.00 H new ATOM 0 HG SER A 78 31.607 -18.628 -50.848 1.00 0.00 H new ATOM 1241 N HIS A 79 31.890 -21.130 -46.669 1.00 0.00 N ATOM 1242 CA HIS A 79 31.259 -20.873 -45.366 1.00 0.00 C ATOM 1243 C HIS A 79 31.812 -21.908 -44.363 1.00 0.00 C ATOM 1244 O HIS A 79 31.198 -22.968 -44.158 1.00 0.00 O ATOM 1245 CB HIS A 79 29.705 -20.961 -45.460 1.00 0.00 C ATOM 1246 CG HIS A 79 29.071 -19.975 -46.408 1.00 0.00 C ATOM 1247 ND1 HIS A 79 28.546 -18.770 -46.001 1.00 0.00 N ATOM 1248 CD2 HIS A 79 28.847 -20.039 -47.745 1.00 0.00 C ATOM 1249 CE1 HIS A 79 28.025 -18.147 -47.043 1.00 0.00 C ATOM 1250 NE2 HIS A 79 28.205 -18.887 -48.113 1.00 0.00 N ATOM 0 H HIS A 79 31.831 -22.107 -46.957 1.00 0.00 H new ATOM 0 HA HIS A 79 31.494 -19.862 -45.033 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.431 -21.969 -45.770 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.286 -20.808 -44.465 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.125 -20.851 -48.400 1.00 0.00 H new ATOM 0 HE1 HIS A 79 27.532 -17.186 -47.019 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.915 -18.644 -49.060 1.00 0.00 H new ATOM 1259 N PRO A 80 33.022 -21.644 -43.772 1.00 0.00 N ATOM 1260 CA PRO A 80 33.667 -22.574 -42.810 1.00 0.00 C ATOM 1261 C PRO A 80 32.850 -22.740 -41.507 1.00 0.00 C ATOM 1262 O PRO A 80 32.246 -21.778 -41.013 1.00 0.00 O ATOM 1263 CB PRO A 80 35.050 -21.919 -42.547 1.00 0.00 C ATOM 1264 CG PRO A 80 34.860 -20.470 -42.874 1.00 0.00 C ATOM 1265 CD PRO A 80 33.861 -20.430 -44.003 1.00 0.00 C ATOM 0 HA PRO A 80 33.744 -23.588 -43.202 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.359 -22.053 -41.510 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.824 -22.366 -43.171 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.493 -19.919 -42.008 1.00 0.00 H new ATOM 0 HG3 PRO A 80 35.803 -20.009 -43.170 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.263 -19.519 -43.978 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.353 -20.462 -44.975 1.00 0.00 H new ATOM 1273 N GLY A 81 32.829 -23.978 -40.973 1.00 0.00 N ATOM 1274 CA GLY A 81 32.066 -24.306 -39.765 1.00 0.00 C ATOM 1275 C GLY A 81 30.796 -25.100 -40.068 1.00 0.00 C ATOM 1276 O GLY A 81 30.197 -25.685 -39.159 1.00 0.00 O ATOM 0 H GLY A 81 33.338 -24.769 -41.368 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.696 -24.881 -39.087 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.799 -23.385 -39.247 1.00 0.00 H new ATOM 1280 N ASN A 82 30.385 -25.125 -41.348 1.00 0.00 N ATOM 1281 CA ASN A 82 29.177 -25.856 -41.809 1.00 0.00 C ATOM 1282 C ASN A 82 29.436 -27.382 -41.901 1.00 0.00 C ATOM 1283 O ASN A 82 30.566 -27.795 -42.207 1.00 0.00 O ATOM 1284 CB ASN A 82 28.698 -25.283 -43.176 1.00 0.00 C ATOM 1285 CG ASN A 82 27.859 -24.011 -43.016 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.632 -24.074 -42.968 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.512 -22.861 -42.905 1.00 0.00 N ATOM 0 H ASN A 82 30.877 -24.640 -42.098 1.00 0.00 H new ATOM 0 HA ASN A 82 28.386 -25.710 -41.073 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.565 -25.067 -43.800 1.00 0.00 H new ATOM 0 HB3 ASN A 82 28.111 -26.039 -43.698 1.00 0.00 H new ATOM 0 HD21 ASN A 82 27.995 -21.991 -42.775 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.531 -22.847 -42.949 1.00 0.00 H new ATOM 1294 N PRO A 83 28.391 -28.243 -41.617 1.00 0.00 N ATOM 1295 CA PRO A 83 28.534 -29.724 -41.631 1.00 0.00 C ATOM 1296 C PRO A 83 28.887 -30.296 -43.020 1.00 0.00 C ATOM 1297 O PRO A 83 28.637 -29.668 -44.050 1.00 0.00 O ATOM 1298 CB PRO A 83 27.148 -30.233 -41.137 1.00 0.00 C ATOM 1299 CG PRO A 83 26.205 -29.112 -41.438 1.00 0.00 C ATOM 1300 CD PRO A 83 27.003 -27.841 -41.250 1.00 0.00 C ATOM 0 HA PRO A 83 29.363 -30.050 -41.003 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.855 -31.147 -41.653 1.00 0.00 H new ATOM 0 HB3 PRO A 83 27.166 -30.460 -40.071 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.822 -29.186 -42.456 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.344 -29.135 -40.770 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.636 -27.038 -41.889 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.948 -27.481 -40.223 1.00 0.00 H new ATOM 1308 N ALA A 84 29.459 -31.513 -43.002 1.00 0.00 N ATOM 1309 CA ALA A 84 29.975 -32.203 -44.198 1.00 0.00 C ATOM 1310 C ALA A 84 28.837 -32.741 -45.081 1.00 0.00 C ATOM 1311 O ALA A 84 27.841 -33.223 -44.565 1.00 0.00 O ATOM 1312 CB ALA A 84 30.899 -33.357 -43.773 1.00 0.00 C ATOM 0 H ALA A 84 29.578 -32.052 -42.144 1.00 0.00 H new ATOM 0 HA ALA A 84 30.537 -31.478 -44.787 1.00 0.00 H new ATOM 0 HB1 ALA A 84 31.278 -33.865 -44.660 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.735 -32.960 -43.196 1.00 0.00 H new ATOM 0 HB3 ALA A 84 30.339 -34.065 -43.161 1.00 0.00 H new ATOM 1318 N ILE A 85 29.026 -32.712 -46.420 1.00 0.00 N ATOM 1319 CA ILE A 85 28.017 -33.203 -47.393 1.00 0.00 C ATOM 1320 C ILE A 85 27.825 -34.746 -47.293 1.00 0.00 C ATOM 1321 O ILE A 85 26.861 -35.309 -47.833 1.00 0.00 O ATOM 1322 CB ILE A 85 28.375 -32.761 -48.873 1.00 0.00 C ATOM 1323 CG1 ILE A 85 27.170 -32.999 -49.837 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.662 -33.452 -49.391 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.365 -32.477 -51.246 1.00 0.00 C ATOM 0 H ILE A 85 29.874 -32.351 -46.856 1.00 0.00 H new ATOM 0 HA ILE A 85 27.066 -32.739 -47.132 1.00 0.00 H new ATOM 0 HB ILE A 85 28.579 -31.690 -48.851 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.970 -34.069 -49.887 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.284 -32.528 -49.410 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.869 -33.120 -50.408 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.501 -33.190 -48.746 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.523 -34.533 -49.384 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.475 -32.689 -51.839 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.532 -31.400 -51.215 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.228 -32.965 -51.699 1.00 0.00 H new ATOM 1337 N ALA A 86 28.747 -35.407 -46.566 1.00 0.00 N ATOM 1338 CA ALA A 86 28.675 -36.847 -46.236 1.00 0.00 C ATOM 1339 C ALA A 86 27.366 -37.215 -45.490 1.00 0.00 C ATOM 1340 O ALA A 86 26.765 -38.267 -45.751 1.00 0.00 O ATOM 1341 CB ALA A 86 29.903 -37.243 -45.391 1.00 0.00 C ATOM 0 H ALA A 86 29.576 -34.950 -46.185 1.00 0.00 H new ATOM 0 HA ALA A 86 28.674 -37.404 -47.173 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.850 -38.304 -45.148 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.813 -37.045 -45.957 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.915 -36.660 -44.470 1.00 0.00 H new ATOM 1347 N GLU A 87 26.927 -36.320 -44.579 1.00 0.00 N ATOM 1348 CA GLU A 87 25.701 -36.518 -43.772 1.00 0.00 C ATOM 1349 C GLU A 87 24.465 -35.877 -44.450 1.00 0.00 C ATOM 1350 O GLU A 87 23.354 -35.928 -43.906 1.00 0.00 O ATOM 1351 CB GLU A 87 25.907 -35.941 -42.341 1.00 0.00 C ATOM 1352 CG GLU A 87 26.254 -34.443 -42.293 1.00 0.00 C ATOM 1353 CD GLU A 87 26.411 -33.906 -40.866 1.00 0.00 C ATOM 1354 OE1 GLU A 87 25.406 -33.461 -40.260 1.00 0.00 O ATOM 1355 OE2 GLU A 87 27.541 -33.936 -40.325 1.00 0.00 O ATOM 0 H GLU A 87 27.409 -35.443 -44.382 1.00 0.00 H new ATOM 0 HA GLU A 87 25.512 -37.589 -43.698 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.998 -36.108 -41.763 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.704 -36.500 -41.850 1.00 0.00 H new ATOM 0 HG2 GLU A 87 27.180 -34.273 -42.842 1.00 0.00 H new ATOM 0 HG3 GLU A 87 25.473 -33.879 -42.803 1.00 0.00 H new ATOM 1362 N PHE A 88 24.666 -35.261 -45.627 1.00 0.00 N ATOM 1363 CA PHE A 88 23.578 -34.645 -46.408 1.00 0.00 C ATOM 1364 C PHE A 88 22.905 -35.708 -47.288 1.00 0.00 C ATOM 1365 O PHE A 88 23.505 -36.209 -48.250 1.00 0.00 O ATOM 1366 CB PHE A 88 24.111 -33.465 -47.271 1.00 0.00 C ATOM 1367 CG PHE A 88 24.426 -32.187 -46.494 1.00 0.00 C ATOM 1368 CD1 PHE A 88 24.066 -30.945 -46.995 1.00 0.00 C ATOM 1369 CD2 PHE A 88 25.086 -32.226 -45.271 1.00 0.00 C ATOM 1370 CE1 PHE A 88 24.361 -29.793 -46.303 1.00 0.00 C ATOM 1371 CE2 PHE A 88 25.378 -31.071 -44.581 1.00 0.00 C ATOM 1372 CZ PHE A 88 25.017 -29.856 -45.097 1.00 0.00 C ATOM 0 H PHE A 88 25.584 -35.176 -46.063 1.00 0.00 H new ATOM 0 HA PHE A 88 22.838 -34.239 -45.719 1.00 0.00 H new ATOM 0 HB2 PHE A 88 25.014 -33.791 -47.787 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.372 -33.233 -48.038 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.548 -30.881 -47.940 1.00 0.00 H new ATOM 0 HD2 PHE A 88 25.375 -33.180 -44.855 1.00 0.00 H new ATOM 0 HE1 PHE A 88 24.076 -28.834 -46.710 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.892 -31.124 -43.633 1.00 0.00 H new ATOM 0 HZ PHE A 88 25.247 -28.949 -44.558 1.00 0.00 H new ATOM 1382 N ASP A 89 21.659 -36.039 -46.939 1.00 0.00 N ATOM 1383 CA ASP A 89 20.860 -37.047 -47.628 1.00 0.00 C ATOM 1384 C ASP A 89 20.189 -36.429 -48.863 1.00 0.00 C ATOM 1385 O ASP A 89 19.154 -35.784 -48.752 1.00 0.00 O ATOM 1386 CB ASP A 89 19.814 -37.654 -46.640 1.00 0.00 C ATOM 1387 CG ASP A 89 20.453 -38.475 -45.502 1.00 0.00 C ATOM 1388 OD1 ASP A 89 20.645 -39.703 -45.670 1.00 0.00 O ATOM 1389 OD2 ASP A 89 20.789 -37.898 -44.442 1.00 0.00 O ATOM 0 H ASP A 89 21.172 -35.604 -46.155 1.00 0.00 H new ATOM 0 HA ASP A 89 21.503 -37.857 -47.973 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.222 -36.847 -46.208 1.00 0.00 H new ATOM 0 HB3 ASP A 89 19.127 -38.291 -47.196 1.00 0.00 H new ATOM 1394 N TRP A 90 20.846 -36.558 -50.022 1.00 0.00 N ATOM 1395 CA TRP A 90 20.270 -36.191 -51.326 1.00 0.00 C ATOM 1396 C TRP A 90 19.325 -37.305 -51.817 1.00 0.00 C ATOM 1397 O TRP A 90 18.212 -37.035 -52.280 1.00 0.00 O ATOM 1398 CB TRP A 90 21.399 -35.961 -52.366 1.00 0.00 C ATOM 1399 CG TRP A 90 22.291 -34.771 -52.068 1.00 0.00 C ATOM 1400 CD1 TRP A 90 23.354 -34.714 -51.204 1.00 0.00 C ATOM 1401 CD2 TRP A 90 22.185 -33.458 -52.645 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.901 -33.457 -51.209 1.00 0.00 N ATOM 1403 CE2 TRP A 90 23.200 -32.672 -52.089 1.00 0.00 C ATOM 1404 CE3 TRP A 90 21.333 -32.880 -53.586 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 23.371 -31.333 -52.425 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 21.500 -31.550 -53.919 1.00 0.00 C ATOM 1407 CH2 TRP A 90 22.518 -30.790 -53.345 1.00 0.00 C ATOM 0 H TRP A 90 21.797 -36.921 -50.084 1.00 0.00 H new ATOM 0 HA TRP A 90 19.703 -35.267 -51.211 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.016 -36.858 -52.419 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.949 -35.825 -53.349 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.709 -35.540 -50.606 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.699 -33.155 -50.650 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.552 -33.465 -54.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 24.153 -30.741 -51.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.833 -31.092 -54.634 1.00 0.00 H new ATOM 0 HH2 TRP A 90 22.635 -29.755 -53.632 1.00 0.00 H new ATOM 1418 N THR A 91 19.779 -38.566 -51.637 1.00 0.00 N ATOM 1419 CA THR A 91 19.113 -39.778 -52.165 1.00 0.00 C ATOM 1420 C THR A 91 17.939 -40.256 -51.258 1.00 0.00 C ATOM 1421 O THR A 91 17.428 -41.371 -51.431 1.00 0.00 O ATOM 1422 CB THR A 91 20.185 -40.912 -52.388 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.611 -42.066 -53.028 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.876 -41.349 -51.090 1.00 0.00 C ATOM 0 H THR A 91 20.630 -38.773 -51.114 1.00 0.00 H new ATOM 0 HA THR A 91 18.660 -39.529 -53.124 1.00 0.00 H new ATOM 0 HB THR A 91 20.939 -40.471 -53.040 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.683 -42.175 -52.734 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.602 -42.131 -51.310 1.00 0.00 H new ATOM 0 HG22 THR A 91 21.386 -40.495 -50.644 1.00 0.00 H new ATOM 0 HG23 THR A 91 20.131 -41.731 -50.392 1.00 0.00 H new