USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 LYS NZ :NH3+ 169:sc= 0.271 (180deg=0) USER MOD Set 1.2: A 78 SER OG : rot 94:sc= 1.03 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 -110:sc= -0.194 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -126:sc= -2.75! (180deg=-5.82!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -29:sc= 0.484 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.27) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.026) USER MOD Single : A 71 GLN : amide:sc= 0.313 K(o=0.31,f=-2.1!) USER MOD Single : A 74 GLN : amide:sc= -0.161 K(o=-0.16,f=-1) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 79 HIS : no HE2:sc= 0.664 K(o=0.66,f=-2.1!) USER MOD Single : A 82 ASN : amide:sc= -0.0552 K(o=-0.055,f=-1!) USER MOD Single : A 91 THR OG1 : rot -33:sc= 0.573 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.783 -27.304 -54.691 1.00 0.00 N ATOM 430 CA VAL A 29 3.823 -28.150 -53.479 1.00 0.00 C ATOM 431 C VAL A 29 5.268 -28.539 -53.095 1.00 0.00 C ATOM 432 O VAL A 29 6.063 -28.927 -53.958 1.00 0.00 O ATOM 433 CB VAL A 29 2.924 -29.444 -53.644 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.433 -29.056 -53.824 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.412 -30.357 -54.812 1.00 0.00 C ATOM 0 HA VAL A 29 3.412 -27.552 -52.665 1.00 0.00 H new ATOM 0 HB VAL A 29 3.022 -30.025 -52.727 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.833 -29.959 -53.936 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.094 -28.500 -52.950 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.323 -28.435 -54.713 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.765 -31.231 -54.886 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.377 -29.800 -55.748 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.435 -30.679 -54.619 1.00 0.00 H new ATOM 445 N SER A 30 5.591 -28.433 -51.791 1.00 0.00 N ATOM 446 CA SER A 30 6.916 -28.782 -51.250 1.00 0.00 C ATOM 447 C SER A 30 6.757 -29.417 -49.856 1.00 0.00 C ATOM 448 O SER A 30 6.036 -28.893 -48.999 1.00 0.00 O ATOM 449 CB SER A 30 7.842 -27.537 -51.201 1.00 0.00 C ATOM 450 OG SER A 30 7.268 -26.476 -50.452 1.00 0.00 O ATOM 0 H SER A 30 4.937 -28.102 -51.082 1.00 0.00 H new ATOM 0 HA SER A 30 7.387 -29.509 -51.911 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.800 -27.815 -50.761 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.045 -27.196 -52.216 1.00 0.00 H new ATOM 0 HG SER A 30 7.882 -25.712 -50.444 1.00 0.00 H new ATOM 456 N VAL A 31 7.395 -30.583 -49.671 1.00 0.00 N ATOM 457 CA VAL A 31 7.448 -31.307 -48.389 1.00 0.00 C ATOM 458 C VAL A 31 8.871 -31.191 -47.820 1.00 0.00 C ATOM 459 O VAL A 31 9.842 -31.516 -48.516 1.00 0.00 O ATOM 460 CB VAL A 31 7.061 -32.829 -48.575 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.200 -33.619 -47.238 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.630 -32.960 -49.173 1.00 0.00 C ATOM 0 H VAL A 31 7.898 -31.058 -50.420 1.00 0.00 H new ATOM 0 HA VAL A 31 6.728 -30.866 -47.700 1.00 0.00 H new ATOM 0 HB VAL A 31 7.762 -33.274 -49.282 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.926 -34.661 -47.401 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.231 -33.565 -46.889 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.540 -33.184 -46.488 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.381 -34.014 -49.294 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.911 -32.492 -48.501 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.595 -32.465 -50.144 1.00 0.00 H new ATOM 472 N GLU A 32 8.990 -30.707 -46.572 1.00 0.00 N ATOM 473 CA GLU A 32 10.283 -30.602 -45.877 1.00 0.00 C ATOM 474 C GLU A 32 10.679 -31.977 -45.310 1.00 0.00 C ATOM 475 O GLU A 32 10.033 -32.492 -44.391 1.00 0.00 O ATOM 476 CB GLU A 32 10.219 -29.539 -44.745 1.00 0.00 C ATOM 477 CG GLU A 32 9.946 -28.101 -45.229 1.00 0.00 C ATOM 478 CD GLU A 32 9.961 -27.080 -44.077 1.00 0.00 C ATOM 479 OE1 GLU A 32 8.956 -26.991 -43.342 1.00 0.00 O ATOM 480 OE2 GLU A 32 10.980 -26.384 -43.887 1.00 0.00 O ATOM 0 H GLU A 32 8.197 -30.380 -46.020 1.00 0.00 H new ATOM 0 HA GLU A 32 11.041 -30.281 -46.591 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.439 -29.825 -44.040 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.162 -29.552 -44.199 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.696 -27.821 -45.968 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.978 -28.067 -45.729 1.00 0.00 H new ATOM 487 N LEU A 33 11.717 -32.572 -45.903 1.00 0.00 N ATOM 488 CA LEU A 33 12.269 -33.888 -45.493 1.00 0.00 C ATOM 489 C LEU A 33 13.302 -33.681 -44.346 1.00 0.00 C ATOM 490 O LEU A 33 13.755 -32.547 -44.144 1.00 0.00 O ATOM 491 CB LEU A 33 12.908 -34.591 -46.752 1.00 0.00 C ATOM 492 CG LEU A 33 11.957 -35.438 -47.655 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.541 -36.747 -46.960 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.728 -34.629 -48.090 1.00 0.00 C ATOM 0 H LEU A 33 12.212 -32.157 -46.693 1.00 0.00 H new ATOM 0 HA LEU A 33 11.481 -34.537 -45.111 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.366 -33.821 -47.373 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.712 -35.241 -46.405 1.00 0.00 H new ATOM 0 HG LEU A 33 12.514 -35.702 -48.554 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.879 -37.313 -47.616 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.429 -37.340 -46.741 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.020 -36.516 -46.031 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.088 -35.249 -48.717 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.172 -34.309 -47.209 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.050 -33.753 -48.654 1.00 0.00 H new ATOM 506 N PRO A 34 13.671 -34.757 -43.550 1.00 0.00 N ATOM 507 CA PRO A 34 14.649 -34.631 -42.429 1.00 0.00 C ATOM 508 C PRO A 34 16.065 -34.192 -42.892 1.00 0.00 C ATOM 509 O PRO A 34 16.455 -34.415 -44.047 1.00 0.00 O ATOM 510 CB PRO A 34 14.656 -36.051 -41.783 1.00 0.00 C ATOM 511 CG PRO A 34 14.153 -36.964 -42.860 1.00 0.00 C ATOM 512 CD PRO A 34 13.137 -36.149 -43.628 1.00 0.00 C ATOM 0 HA PRO A 34 14.361 -33.846 -41.729 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.658 -36.334 -41.461 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.015 -36.088 -40.902 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.965 -37.293 -43.508 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.700 -37.860 -42.437 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.050 -36.487 -44.660 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.145 -36.223 -43.183 1.00 0.00 H new ATOM 520 N ALA A 35 16.826 -33.585 -41.959 1.00 0.00 N ATOM 521 CA ALA A 35 18.120 -32.929 -42.253 1.00 0.00 C ATOM 522 C ALA A 35 18.955 -32.736 -40.970 1.00 0.00 C ATOM 523 O ALA A 35 18.446 -32.990 -39.866 1.00 0.00 O ATOM 524 CB ALA A 35 17.865 -31.556 -42.906 1.00 0.00 C ATOM 0 H ALA A 35 16.561 -33.535 -40.975 1.00 0.00 H new ATOM 0 HA ALA A 35 18.679 -33.571 -42.933 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.818 -31.073 -43.122 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.308 -31.692 -43.833 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.288 -30.931 -42.225 1.00 0.00 H new ATOM 530 N PRO A 36 20.265 -32.307 -41.094 1.00 0.00 N ATOM 531 CA PRO A 36 20.988 -31.655 -39.977 1.00 0.00 C ATOM 532 C PRO A 36 20.213 -30.405 -39.502 1.00 0.00 C ATOM 533 O PRO A 36 19.707 -29.646 -40.329 1.00 0.00 O ATOM 534 CB PRO A 36 22.369 -31.268 -40.595 1.00 0.00 C ATOM 535 CG PRO A 36 22.175 -31.362 -42.080 1.00 0.00 C ATOM 536 CD PRO A 36 21.152 -32.456 -42.287 1.00 0.00 C ATOM 0 HA PRO A 36 21.097 -32.296 -39.102 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.665 -30.261 -40.299 1.00 0.00 H new ATOM 0 HB3 PRO A 36 23.155 -31.943 -40.257 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.825 -30.415 -42.490 1.00 0.00 H new ATOM 0 HG3 PRO A 36 23.112 -31.601 -42.584 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.602 -32.325 -43.219 1.00 0.00 H new ATOM 0 HD3 PRO A 36 21.616 -33.442 -42.326 1.00 0.00 H new ATOM 544 N SER A 37 20.127 -30.214 -38.176 1.00 0.00 N ATOM 545 CA SER A 37 19.357 -29.112 -37.555 1.00 0.00 C ATOM 546 C SER A 37 19.988 -27.727 -37.844 1.00 0.00 C ATOM 547 O SER A 37 19.346 -26.691 -37.646 1.00 0.00 O ATOM 548 CB SER A 37 19.253 -29.356 -36.035 1.00 0.00 C ATOM 549 OG SER A 37 18.694 -30.628 -35.749 1.00 0.00 O ATOM 0 H SER A 37 20.589 -30.819 -37.497 1.00 0.00 H new ATOM 0 HA SER A 37 18.360 -29.102 -37.995 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.243 -29.283 -35.585 1.00 0.00 H new ATOM 0 HB3 SER A 37 18.639 -28.578 -35.582 1.00 0.00 H new ATOM 0 HG SER A 37 18.643 -30.752 -34.778 1.00 0.00 H new ATOM 555 N SER A 38 21.254 -27.733 -38.293 1.00 0.00 N ATOM 556 CA SER A 38 21.962 -26.537 -38.766 1.00 0.00 C ATOM 557 C SER A 38 21.359 -26.045 -40.097 1.00 0.00 C ATOM 558 O SER A 38 21.214 -24.841 -40.324 1.00 0.00 O ATOM 559 CB SER A 38 23.464 -26.862 -38.928 1.00 0.00 C ATOM 560 OG SER A 38 23.645 -28.054 -39.676 1.00 0.00 O ATOM 0 H SER A 38 21.820 -28.581 -38.337 1.00 0.00 H new ATOM 0 HA SER A 38 21.850 -25.737 -38.034 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.968 -26.034 -39.427 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.925 -26.970 -37.946 1.00 0.00 H new ATOM 0 HG SER A 38 23.980 -28.762 -39.087 1.00 0.00 H new ATOM 566 N TRP A 39 21.009 -27.000 -40.968 1.00 0.00 N ATOM 567 CA TRP A 39 20.364 -26.733 -42.266 1.00 0.00 C ATOM 568 C TRP A 39 18.870 -27.096 -42.201 1.00 0.00 C ATOM 569 O TRP A 39 18.302 -27.300 -41.118 1.00 0.00 O ATOM 570 CB TRP A 39 21.076 -27.554 -43.383 1.00 0.00 C ATOM 571 CG TRP A 39 22.426 -27.014 -43.772 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.541 -26.906 -42.987 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.797 -26.516 -45.057 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.573 -26.374 -43.710 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.143 -26.134 -44.984 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.115 -26.372 -46.269 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.819 -25.610 -46.071 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.786 -25.848 -47.347 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.131 -25.475 -47.246 1.00 0.00 C ATOM 0 H TRP A 39 21.166 -27.992 -40.792 1.00 0.00 H new ATOM 0 HA TRP A 39 20.450 -25.671 -42.498 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.191 -28.584 -43.045 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.437 -27.578 -44.266 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.598 -27.198 -41.949 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.511 -26.187 -43.356 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.080 -26.667 -46.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.856 -25.317 -45.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.268 -25.722 -48.286 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.636 -25.073 -48.112 1.00 0.00 H new ATOM 590 N LYS A 40 18.244 -27.125 -43.376 1.00 0.00 N ATOM 591 CA LYS A 40 16.914 -27.683 -43.574 1.00 0.00 C ATOM 592 C LYS A 40 16.896 -28.358 -44.945 1.00 0.00 C ATOM 593 O LYS A 40 17.550 -27.897 -45.884 1.00 0.00 O ATOM 594 CB LYS A 40 15.816 -26.588 -43.474 1.00 0.00 C ATOM 595 CG LYS A 40 14.374 -27.138 -43.370 1.00 0.00 C ATOM 596 CD LYS A 40 14.151 -28.004 -42.104 1.00 0.00 C ATOM 597 CE LYS A 40 14.449 -27.240 -40.796 1.00 0.00 C ATOM 598 NZ LYS A 40 14.325 -28.104 -39.605 1.00 0.00 N ATOM 0 H LYS A 40 18.658 -26.754 -44.231 1.00 0.00 H new ATOM 0 HA LYS A 40 16.695 -28.409 -42.791 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.019 -25.966 -42.602 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.883 -25.942 -44.349 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.672 -26.304 -43.363 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.152 -27.734 -44.256 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.119 -28.356 -42.087 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.788 -28.887 -42.157 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.457 -26.827 -40.840 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.763 -26.398 -40.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.534 -27.549 -38.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.356 -28.478 -39.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.997 -28.894 -39.678 1.00 0.00 H new ATOM 612 N LYS A 41 16.176 -29.464 -45.039 1.00 0.00 N ATOM 613 CA LYS A 41 16.004 -30.218 -46.277 1.00 0.00 C ATOM 614 C LYS A 41 14.575 -30.031 -46.762 1.00 0.00 C ATOM 615 O LYS A 41 13.623 -30.275 -46.026 1.00 0.00 O ATOM 616 CB LYS A 41 16.332 -31.710 -46.020 1.00 0.00 C ATOM 617 CG LYS A 41 15.861 -32.713 -47.076 1.00 0.00 C ATOM 618 CD LYS A 41 16.444 -32.476 -48.474 1.00 0.00 C ATOM 619 CE LYS A 41 15.927 -33.505 -49.466 1.00 0.00 C ATOM 620 NZ LYS A 41 14.473 -33.366 -49.707 1.00 0.00 N ATOM 0 H LYS A 41 15.684 -29.873 -44.244 1.00 0.00 H new ATOM 0 HA LYS A 41 16.683 -29.858 -47.050 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.413 -31.807 -45.918 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.894 -31.994 -45.063 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.127 -33.718 -46.750 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.773 -32.675 -47.137 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.182 -31.474 -48.815 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.532 -32.524 -48.430 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.462 -33.399 -50.410 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.138 -34.507 -49.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.004 -34.278 -49.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.082 -32.648 -49.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.311 -33.074 -50.692 1.00 0.00 H new ATOM 634 N LEU A 42 14.454 -29.587 -48.001 1.00 0.00 N ATOM 635 CA LEU A 42 13.186 -29.439 -48.699 1.00 0.00 C ATOM 636 C LEU A 42 13.243 -30.279 -49.984 1.00 0.00 C ATOM 637 O LEU A 42 14.292 -30.407 -50.626 1.00 0.00 O ATOM 638 CB LEU A 42 12.928 -27.918 -48.961 1.00 0.00 C ATOM 639 CG LEU A 42 11.691 -27.530 -49.862 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.065 -26.177 -49.438 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.079 -27.481 -51.356 1.00 0.00 C ATOM 0 H LEU A 42 15.257 -29.311 -48.566 1.00 0.00 H new ATOM 0 HA LEU A 42 12.347 -29.804 -48.107 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.807 -27.427 -47.995 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.823 -27.500 -49.422 1.00 0.00 H new ATOM 0 HG LEU A 42 10.944 -28.310 -49.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.217 -25.950 -50.085 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.726 -26.241 -48.404 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.811 -25.387 -49.527 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.206 -27.211 -51.950 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.862 -26.738 -51.504 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.443 -28.459 -51.670 1.00 0.00 H new ATOM 653 N PHE A 43 12.115 -30.902 -50.304 1.00 0.00 N ATOM 654 CA PHE A 43 11.888 -31.598 -51.567 1.00 0.00 C ATOM 655 C PHE A 43 10.644 -31.001 -52.219 1.00 0.00 C ATOM 656 O PHE A 43 9.656 -30.741 -51.533 1.00 0.00 O ATOM 657 CB PHE A 43 11.694 -33.116 -51.316 1.00 0.00 C ATOM 658 CG PHE A 43 11.391 -33.948 -52.567 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.210 -33.869 -53.699 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.290 -34.807 -52.614 1.00 0.00 C ATOM 661 CE1 PHE A 43 11.933 -34.615 -54.831 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.018 -35.553 -53.745 1.00 0.00 C ATOM 663 CZ PHE A 43 10.838 -35.457 -54.854 1.00 0.00 C ATOM 0 H PHE A 43 11.312 -30.939 -49.677 1.00 0.00 H new ATOM 0 HA PHE A 43 12.749 -31.476 -52.225 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.596 -33.509 -50.847 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.880 -33.250 -50.604 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.071 -33.216 -53.689 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.642 -34.889 -51.754 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.573 -34.539 -55.697 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.163 -36.213 -53.763 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.623 -36.040 -55.737 1.00 0.00 H new ATOM 673 N TYR A 44 10.713 -30.753 -53.526 1.00 0.00 N ATOM 674 CA TYR A 44 9.540 -30.397 -54.333 1.00 0.00 C ATOM 675 C TYR A 44 8.997 -31.676 -55.011 1.00 0.00 C ATOM 676 O TYR A 44 9.585 -32.137 -55.995 1.00 0.00 O ATOM 677 CB TYR A 44 9.906 -29.319 -55.390 1.00 0.00 C ATOM 678 CG TYR A 44 9.732 -27.865 -54.929 1.00 0.00 C ATOM 679 CD1 TYR A 44 10.807 -27.086 -54.502 1.00 0.00 C ATOM 680 CD2 TYR A 44 8.468 -27.275 -54.922 1.00 0.00 C ATOM 681 CE1 TYR A 44 10.623 -25.780 -54.080 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.282 -25.977 -54.504 1.00 0.00 C ATOM 683 CZ TYR A 44 9.358 -25.232 -54.085 1.00 0.00 C ATOM 684 OH TYR A 44 9.166 -23.935 -53.669 1.00 0.00 O ATOM 0 H TYR A 44 11.582 -30.792 -54.058 1.00 0.00 H new ATOM 0 HA TYR A 44 8.768 -29.973 -53.691 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.943 -29.466 -55.691 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.291 -29.478 -56.276 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.801 -27.509 -54.500 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.616 -27.850 -55.252 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.467 -25.193 -53.748 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.292 -25.545 -54.505 1.00 0.00 H new ATOM 0 HH TYR A 44 8.215 -23.707 -53.737 1.00 0.00 H new ATOM 694 N PRO A 45 7.902 -32.305 -54.476 1.00 0.00 N ATOM 695 CA PRO A 45 7.242 -33.445 -55.143 1.00 0.00 C ATOM 696 C PRO A 45 6.295 -32.978 -56.258 1.00 0.00 C ATOM 697 O PRO A 45 6.179 -31.774 -56.539 1.00 0.00 O ATOM 698 CB PRO A 45 6.468 -34.110 -53.973 1.00 0.00 C ATOM 699 CG PRO A 45 6.066 -32.957 -53.107 1.00 0.00 C ATOM 700 CD PRO A 45 7.221 -31.970 -53.193 1.00 0.00 C ATOM 0 HA PRO A 45 7.938 -34.120 -55.642 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.599 -34.663 -54.331 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.095 -34.818 -53.430 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.137 -32.507 -53.457 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.898 -33.277 -52.079 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.864 -30.940 -53.190 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.898 -32.076 -52.345 1.00 0.00 H new ATOM 852 N GLU A 55 13.254 -30.461 -58.489 1.00 0.00 N ATOM 853 CA GLU A 55 14.277 -31.252 -57.768 1.00 0.00 C ATOM 854 C GLU A 55 14.354 -30.852 -56.271 1.00 0.00 C ATOM 855 O GLU A 55 13.477 -30.148 -55.743 1.00 0.00 O ATOM 856 CB GLU A 55 15.674 -31.129 -58.472 1.00 0.00 C ATOM 857 CG GLU A 55 16.281 -29.703 -58.555 1.00 0.00 C ATOM 858 CD GLU A 55 15.690 -28.825 -59.670 1.00 0.00 C ATOM 859 OE1 GLU A 55 14.897 -27.907 -59.373 1.00 0.00 O ATOM 860 OE2 GLU A 55 16.005 -29.066 -60.855 1.00 0.00 O ATOM 0 HA GLU A 55 13.977 -32.299 -57.803 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.380 -31.771 -57.945 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.582 -31.521 -59.485 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.133 -29.202 -57.598 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.357 -29.788 -58.708 1.00 0.00 H new ATOM 867 N VAL A 56 15.417 -31.339 -55.605 1.00 0.00 N ATOM 868 CA VAL A 56 15.696 -31.103 -54.183 1.00 0.00 C ATOM 869 C VAL A 56 16.397 -29.742 -53.984 1.00 0.00 C ATOM 870 O VAL A 56 17.304 -29.389 -54.743 1.00 0.00 O ATOM 871 CB VAL A 56 16.622 -32.256 -53.633 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.210 -31.918 -52.241 1.00 0.00 C ATOM 873 CG2 VAL A 56 15.877 -33.621 -53.613 1.00 0.00 C ATOM 0 H VAL A 56 16.122 -31.922 -56.056 1.00 0.00 H new ATOM 0 HA VAL A 56 14.752 -31.092 -53.638 1.00 0.00 H new ATOM 0 HB VAL A 56 17.462 -32.343 -54.322 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.840 -32.740 -51.903 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.806 -31.008 -52.309 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.398 -31.767 -51.530 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.543 -34.393 -53.229 1.00 0.00 H new ATOM 0 HG22 VAL A 56 14.999 -33.547 -52.971 1.00 0.00 H new ATOM 0 HG23 VAL A 56 15.566 -33.881 -54.625 1.00 0.00 H new ATOM 883 N VAL A 57 15.962 -29.002 -52.946 1.00 0.00 N ATOM 884 CA VAL A 57 16.594 -27.746 -52.500 1.00 0.00 C ATOM 885 C VAL A 57 16.907 -27.856 -50.988 1.00 0.00 C ATOM 886 O VAL A 57 16.024 -28.179 -50.194 1.00 0.00 O ATOM 887 CB VAL A 57 15.669 -26.488 -52.776 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.319 -25.170 -52.248 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.304 -26.375 -54.287 1.00 0.00 C ATOM 0 H VAL A 57 15.151 -29.264 -52.386 1.00 0.00 H new ATOM 0 HA VAL A 57 17.513 -27.599 -53.068 1.00 0.00 H new ATOM 0 HB VAL A 57 14.742 -26.637 -52.222 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.657 -24.329 -52.455 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.480 -25.249 -51.173 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.275 -25.010 -52.747 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.669 -25.503 -54.444 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.216 -26.270 -54.875 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.771 -27.273 -54.601 1.00 0.00 H new ATOM 899 N PHE A 58 18.175 -27.629 -50.608 1.00 0.00 N ATOM 900 CA PHE A 58 18.591 -27.534 -49.192 1.00 0.00 C ATOM 901 C PHE A 58 18.600 -26.062 -48.754 1.00 0.00 C ATOM 902 O PHE A 58 19.267 -25.230 -49.373 1.00 0.00 O ATOM 903 CB PHE A 58 19.996 -28.177 -48.968 1.00 0.00 C ATOM 904 CG PHE A 58 19.962 -29.669 -48.636 1.00 0.00 C ATOM 905 CD1 PHE A 58 19.993 -30.637 -49.636 1.00 0.00 C ATOM 906 CD2 PHE A 58 19.908 -30.102 -47.307 1.00 0.00 C ATOM 907 CE1 PHE A 58 19.975 -31.985 -49.326 1.00 0.00 C ATOM 908 CE2 PHE A 58 19.887 -31.449 -46.999 1.00 0.00 C ATOM 909 CZ PHE A 58 19.922 -32.388 -48.008 1.00 0.00 C ATOM 0 H PHE A 58 18.942 -27.506 -51.269 1.00 0.00 H new ATOM 0 HA PHE A 58 17.874 -28.088 -48.585 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.596 -28.031 -49.866 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.499 -27.648 -48.158 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.032 -30.330 -50.671 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.882 -29.373 -46.510 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.002 -32.721 -50.116 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.843 -31.766 -45.968 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.908 -33.440 -47.766 1.00 0.00 H new ATOM 919 N VAL A 59 17.854 -25.757 -47.689 1.00 0.00 N ATOM 920 CA VAL A 59 17.835 -24.429 -47.068 1.00 0.00 C ATOM 921 C VAL A 59 19.053 -24.273 -46.141 1.00 0.00 C ATOM 922 O VAL A 59 19.303 -25.119 -45.277 1.00 0.00 O ATOM 923 CB VAL A 59 16.489 -24.201 -46.278 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.603 -23.087 -45.197 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.338 -23.894 -47.258 1.00 0.00 C ATOM 0 H VAL A 59 17.241 -26.430 -47.229 1.00 0.00 H new ATOM 0 HA VAL A 59 17.891 -23.671 -47.849 1.00 0.00 H new ATOM 0 HB VAL A 59 16.272 -25.128 -45.747 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.646 -22.976 -44.687 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.371 -23.360 -44.473 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.872 -22.144 -45.673 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.415 -23.739 -46.699 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.574 -22.994 -47.826 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.210 -24.732 -47.943 1.00 0.00 H new ATOM 935 N ALA A 60 19.782 -23.166 -46.342 1.00 0.00 N ATOM 936 CA ALA A 60 21.005 -22.840 -45.590 1.00 0.00 C ATOM 937 C ALA A 60 20.654 -22.079 -44.295 1.00 0.00 C ATOM 938 O ALA A 60 19.631 -21.382 -44.256 1.00 0.00 O ATOM 939 CB ALA A 60 21.966 -22.014 -46.470 1.00 0.00 C ATOM 0 H ALA A 60 19.537 -22.463 -47.039 1.00 0.00 H new ATOM 0 HA ALA A 60 21.505 -23.768 -45.312 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.867 -21.779 -45.903 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.234 -22.590 -47.356 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.477 -21.089 -46.774 1.00 0.00 H new ATOM 945 N PRO A 61 21.514 -22.173 -43.226 1.00 0.00 N ATOM 946 CA PRO A 61 21.293 -21.458 -41.932 1.00 0.00 C ATOM 947 C PRO A 61 21.310 -19.912 -42.068 1.00 0.00 C ATOM 948 O PRO A 61 20.798 -19.195 -41.203 1.00 0.00 O ATOM 949 CB PRO A 61 22.471 -21.960 -41.041 1.00 0.00 C ATOM 950 CG PRO A 61 23.515 -22.434 -42.009 1.00 0.00 C ATOM 951 CD PRO A 61 22.749 -23.016 -43.174 1.00 0.00 C ATOM 0 HA PRO A 61 20.306 -21.670 -41.520 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.855 -21.161 -40.407 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.151 -22.765 -40.380 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.154 -21.612 -42.331 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.163 -23.182 -41.552 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.318 -22.954 -44.101 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.512 -24.068 -43.015 1.00 0.00 H new ATOM 959 N THR A 62 21.928 -19.419 -43.158 1.00 0.00 N ATOM 960 CA THR A 62 22.025 -17.975 -43.468 1.00 0.00 C ATOM 961 C THR A 62 21.005 -17.549 -44.552 1.00 0.00 C ATOM 962 O THR A 62 20.898 -16.359 -44.880 1.00 0.00 O ATOM 963 CB THR A 62 23.482 -17.613 -43.920 1.00 0.00 C ATOM 964 OG1 THR A 62 23.626 -16.199 -44.132 1.00 0.00 O ATOM 965 CG2 THR A 62 23.907 -18.360 -45.194 1.00 0.00 C ATOM 0 H THR A 62 22.378 -20.013 -43.854 1.00 0.00 H new ATOM 0 HA THR A 62 21.785 -17.426 -42.557 1.00 0.00 H new ATOM 0 HB THR A 62 24.135 -17.929 -43.106 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.766 -15.821 -44.412 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.924 -18.072 -45.462 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.869 -19.435 -45.015 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.230 -18.104 -46.009 1.00 0.00 H new ATOM 973 N GLY A 63 20.260 -18.530 -45.109 1.00 0.00 N ATOM 974 CA GLY A 63 19.270 -18.272 -46.170 1.00 0.00 C ATOM 975 C GLY A 63 19.838 -18.395 -47.585 1.00 0.00 C ATOM 976 O GLY A 63 19.078 -18.372 -48.557 1.00 0.00 O ATOM 0 H GLY A 63 20.329 -19.511 -44.837 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.441 -18.971 -46.059 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.862 -17.270 -46.038 1.00 0.00 H new ATOM 980 N GLU A 64 21.179 -18.518 -47.698 1.00 0.00 N ATOM 981 CA GLU A 64 21.890 -18.686 -48.992 1.00 0.00 C ATOM 982 C GLU A 64 21.727 -20.143 -49.477 1.00 0.00 C ATOM 983 O GLU A 64 22.647 -20.969 -49.397 1.00 0.00 O ATOM 984 CB GLU A 64 23.380 -18.287 -48.813 1.00 0.00 C ATOM 985 CG GLU A 64 24.232 -18.253 -50.096 1.00 0.00 C ATOM 986 CD GLU A 64 25.672 -17.765 -49.831 1.00 0.00 C ATOM 987 OE1 GLU A 64 25.848 -16.569 -49.513 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.626 -18.566 -49.930 1.00 0.00 O ATOM 0 H GLU A 64 21.805 -18.504 -46.892 1.00 0.00 H new ATOM 0 HA GLU A 64 21.464 -18.035 -49.755 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.418 -17.301 -48.350 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.840 -18.985 -48.114 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.264 -19.250 -50.535 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.758 -17.598 -50.827 1.00 0.00 H new ATOM 995 N GLU A 65 20.505 -20.438 -49.942 1.00 0.00 N ATOM 996 CA GLU A 65 20.022 -21.802 -50.200 1.00 0.00 C ATOM 997 C GLU A 65 20.671 -22.423 -51.449 1.00 0.00 C ATOM 998 O GLU A 65 21.200 -21.724 -52.319 1.00 0.00 O ATOM 999 CB GLU A 65 18.477 -21.787 -50.315 1.00 0.00 C ATOM 1000 CG GLU A 65 17.927 -20.896 -51.450 1.00 0.00 C ATOM 1001 CD GLU A 65 16.397 -20.773 -51.422 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.875 -19.779 -50.874 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.706 -21.680 -51.932 1.00 0.00 O ATOM 0 H GLU A 65 19.811 -19.721 -50.153 1.00 0.00 H new ATOM 0 HA GLU A 65 20.314 -22.433 -49.360 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.127 -22.808 -50.470 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.058 -21.447 -49.368 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.368 -19.902 -51.372 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.236 -21.307 -52.411 1.00 0.00 H new ATOM 1010 N ILE A 66 20.615 -23.756 -51.504 1.00 0.00 N ATOM 1011 CA ILE A 66 21.276 -24.584 -52.514 1.00 0.00 C ATOM 1012 C ILE A 66 20.213 -25.310 -53.364 1.00 0.00 C ATOM 1013 O ILE A 66 19.401 -26.056 -52.813 1.00 0.00 O ATOM 1014 CB ILE A 66 22.184 -25.647 -51.796 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.203 -24.968 -50.816 1.00 0.00 C ATOM 1016 CG2 ILE A 66 22.890 -26.557 -52.814 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.126 -23.925 -51.423 1.00 0.00 C ATOM 0 H ILE A 66 20.091 -24.306 -50.824 1.00 0.00 H new ATOM 0 HA ILE A 66 21.887 -23.953 -53.160 1.00 0.00 H new ATOM 0 HB ILE A 66 21.534 -26.280 -51.191 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.641 -24.499 -50.008 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.817 -25.748 -50.366 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.510 -27.281 -52.286 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.144 -27.084 -53.410 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.517 -25.952 -53.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.784 -23.527 -50.650 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.726 -24.383 -52.209 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.532 -23.115 -51.846 1.00 0.00 H new ATOM 1029 N SER A 67 20.247 -25.119 -54.693 1.00 0.00 N ATOM 1030 CA SER A 67 19.241 -25.700 -55.619 1.00 0.00 C ATOM 1031 C SER A 67 19.704 -27.045 -56.207 1.00 0.00 C ATOM 1032 O SER A 67 18.879 -27.844 -56.665 1.00 0.00 O ATOM 1033 CB SER A 67 18.971 -24.709 -56.774 1.00 0.00 C ATOM 1034 OG SER A 67 18.635 -23.432 -56.286 1.00 0.00 O ATOM 0 H SER A 67 20.963 -24.563 -55.160 1.00 0.00 H new ATOM 0 HA SER A 67 18.331 -25.879 -55.046 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.855 -24.637 -57.408 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.161 -25.087 -57.398 1.00 0.00 H new ATOM 0 HG SER A 67 18.472 -22.827 -57.039 1.00 0.00 H new ATOM 1040 N ASN A 68 21.029 -27.273 -56.207 1.00 0.00 N ATOM 1041 CA ASN A 68 21.644 -28.437 -56.870 1.00 0.00 C ATOM 1042 C ASN A 68 22.908 -28.873 -56.119 1.00 0.00 C ATOM 1043 O ASN A 68 23.568 -28.057 -55.471 1.00 0.00 O ATOM 1044 CB ASN A 68 21.954 -28.114 -58.353 1.00 0.00 C ATOM 1045 CG ASN A 68 22.855 -26.888 -58.534 1.00 0.00 C ATOM 1046 OD1 ASN A 68 22.375 -25.758 -58.656 1.00 0.00 O ATOM 1047 ND2 ASN A 68 24.166 -27.098 -58.552 1.00 0.00 N ATOM 0 H ASN A 68 21.702 -26.658 -55.749 1.00 0.00 H new ATOM 0 HA ASN A 68 20.938 -29.267 -56.849 1.00 0.00 H new ATOM 0 HB2 ASN A 68 22.433 -28.978 -58.813 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.017 -27.948 -58.885 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.807 -26.313 -58.669 1.00 0.00 H new ATOM 0 HD22 ASN A 68 24.532 -28.044 -58.449 1.00 0.00 H new ATOM 1054 N ARG A 69 23.252 -30.158 -56.276 1.00 0.00 N ATOM 1055 CA ARG A 69 24.241 -30.873 -55.439 1.00 0.00 C ATOM 1056 C ARG A 69 25.676 -30.283 -55.527 1.00 0.00 C ATOM 1057 O ARG A 69 26.441 -30.345 -54.548 1.00 0.00 O ATOM 1058 CB ARG A 69 24.248 -32.371 -55.834 1.00 0.00 C ATOM 1059 CG ARG A 69 25.079 -33.262 -54.891 1.00 0.00 C ATOM 1060 CD ARG A 69 25.102 -34.741 -55.301 1.00 0.00 C ATOM 1061 NE ARG A 69 25.963 -35.522 -54.402 1.00 0.00 N ATOM 1062 CZ ARG A 69 27.269 -35.754 -54.593 1.00 0.00 C ATOM 1063 NH1 ARG A 69 27.890 -35.325 -55.685 1.00 0.00 N ATOM 1064 NH2 ARG A 69 27.942 -36.438 -53.695 1.00 0.00 N ATOM 0 H ARG A 69 22.845 -30.747 -57.002 1.00 0.00 H new ATOM 0 HA ARG A 69 23.934 -30.750 -54.401 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.221 -32.737 -55.852 1.00 0.00 H new ATOM 0 HB3 ARG A 69 24.639 -32.468 -56.847 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.102 -32.887 -54.859 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.678 -33.180 -53.881 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.089 -35.144 -55.281 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.462 -34.833 -56.326 1.00 0.00 H new ATOM 0 HE ARG A 69 25.533 -35.919 -53.567 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.372 -34.809 -56.397 1.00 0.00 H new ATOM 0 HH12 ARG A 69 28.885 -35.511 -55.813 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.470 -36.787 -52.861 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.936 -36.619 -53.832 1.00 0.00 H new ATOM 1078 N LYS A 70 26.027 -29.723 -56.702 1.00 0.00 N ATOM 1079 CA LYS A 70 27.341 -29.068 -56.932 1.00 0.00 C ATOM 1080 C LYS A 70 27.493 -27.864 -55.981 1.00 0.00 C ATOM 1081 O LYS A 70 28.524 -27.720 -55.306 1.00 0.00 O ATOM 1082 CB LYS A 70 27.492 -28.640 -58.435 1.00 0.00 C ATOM 1083 CG LYS A 70 28.946 -28.306 -58.903 1.00 0.00 C ATOM 1084 CD LYS A 70 29.498 -26.929 -58.419 1.00 0.00 C ATOM 1085 CE LYS A 70 30.974 -26.710 -58.791 1.00 0.00 C ATOM 1086 NZ LYS A 70 31.179 -26.758 -60.258 1.00 0.00 N ATOM 0 H LYS A 70 25.415 -29.709 -57.518 1.00 0.00 H new ATOM 0 HA LYS A 70 28.140 -29.778 -56.717 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.103 -29.442 -59.063 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.864 -27.766 -58.609 1.00 0.00 H new ATOM 0 HG2 LYS A 70 29.614 -29.092 -58.550 1.00 0.00 H new ATOM 0 HG3 LYS A 70 28.975 -28.329 -59.992 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.897 -26.130 -58.853 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.387 -26.859 -57.337 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.307 -25.746 -58.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.588 -27.473 -58.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 32.168 -26.523 -60.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 30.964 -27.714 -60.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 30.549 -26.071 -60.719 1.00 0.00 H new ATOM 1100 N GLN A 71 26.423 -27.032 -55.911 1.00 0.00 N ATOM 1101 CA GLN A 71 26.396 -25.810 -55.070 1.00 0.00 C ATOM 1102 C GLN A 71 26.574 -26.143 -53.586 1.00 0.00 C ATOM 1103 O GLN A 71 27.084 -25.315 -52.838 1.00 0.00 O ATOM 1104 CB GLN A 71 25.093 -25.001 -55.267 1.00 0.00 C ATOM 1105 CG GLN A 71 24.962 -24.314 -56.627 1.00 0.00 C ATOM 1106 CD GLN A 71 23.666 -23.503 -56.769 1.00 0.00 C ATOM 1107 OE1 GLN A 71 22.630 -23.839 -56.181 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.722 -22.430 -57.543 1.00 0.00 N ATOM 0 H GLN A 71 25.561 -27.189 -56.433 1.00 0.00 H new ATOM 0 HA GLN A 71 27.236 -25.196 -55.396 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.243 -25.670 -55.130 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.031 -24.243 -54.486 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.816 -23.653 -56.777 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.000 -25.068 -57.413 1.00 0.00 H new ATOM 0 HE21 GLN A 71 24.594 -22.184 -58.012 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.893 -21.849 -57.670 1.00 0.00 H new ATOM 1117 N LEU A 72 26.163 -27.361 -53.188 1.00 0.00 N ATOM 1118 CA LEU A 72 26.278 -27.835 -51.794 1.00 0.00 C ATOM 1119 C LEU A 72 27.770 -28.012 -51.438 1.00 0.00 C ATOM 1120 O LEU A 72 28.244 -27.449 -50.457 1.00 0.00 O ATOM 1121 CB LEU A 72 25.487 -29.178 -51.605 1.00 0.00 C ATOM 1122 CG LEU A 72 24.951 -29.510 -50.168 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.071 -29.711 -49.139 1.00 0.00 C ATOM 1124 CD2 LEU A 72 23.946 -28.441 -49.698 1.00 0.00 C ATOM 0 H LEU A 72 25.743 -28.043 -53.820 1.00 0.00 H new ATOM 0 HA LEU A 72 25.841 -27.098 -51.120 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.636 -29.165 -52.286 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.135 -29.996 -51.919 1.00 0.00 H new ATOM 0 HG LEU A 72 24.433 -30.466 -50.242 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.635 -29.938 -48.166 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.709 -30.538 -49.452 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.666 -28.801 -49.067 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.588 -28.692 -48.700 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.435 -27.467 -49.674 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.103 -28.406 -50.388 1.00 0.00 H new ATOM 1136 N GLU A 73 28.487 -28.792 -52.272 1.00 0.00 N ATOM 1137 CA GLU A 73 29.917 -29.130 -52.056 1.00 0.00 C ATOM 1138 C GLU A 73 30.806 -27.866 -52.040 1.00 0.00 C ATOM 1139 O GLU A 73 31.629 -27.679 -51.130 1.00 0.00 O ATOM 1140 CB GLU A 73 30.396 -30.119 -53.153 1.00 0.00 C ATOM 1141 CG GLU A 73 29.694 -31.489 -53.110 1.00 0.00 C ATOM 1142 CD GLU A 73 30.198 -32.471 -54.178 1.00 0.00 C ATOM 1143 OE1 GLU A 73 29.474 -32.732 -55.161 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.336 -32.978 -54.041 1.00 0.00 O ATOM 0 H GLU A 73 28.094 -29.208 -53.117 1.00 0.00 H new ATOM 0 HA GLU A 73 30.009 -29.604 -51.079 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.231 -29.668 -54.132 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.471 -30.269 -53.048 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.839 -31.931 -52.124 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.622 -31.343 -53.240 1.00 0.00 H new ATOM 1151 N GLN A 74 30.596 -26.987 -53.040 1.00 0.00 N ATOM 1152 CA GLN A 74 31.348 -25.726 -53.170 1.00 0.00 C ATOM 1153 C GLN A 74 30.975 -24.735 -52.046 1.00 0.00 C ATOM 1154 O GLN A 74 31.780 -23.866 -51.694 1.00 0.00 O ATOM 1155 CB GLN A 74 31.168 -25.095 -54.596 1.00 0.00 C ATOM 1156 CG GLN A 74 29.757 -24.540 -54.943 1.00 0.00 C ATOM 1157 CD GLN A 74 29.492 -23.100 -54.464 1.00 0.00 C ATOM 1158 OE1 GLN A 74 30.404 -22.277 -54.405 1.00 0.00 O ATOM 1159 NE2 GLN A 74 28.251 -22.794 -54.092 1.00 0.00 N ATOM 0 H GLN A 74 29.904 -27.131 -53.776 1.00 0.00 H new ATOM 0 HA GLN A 74 32.407 -25.956 -53.057 1.00 0.00 H new ATOM 0 HB2 GLN A 74 31.888 -24.284 -54.702 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.428 -25.851 -55.337 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.623 -24.579 -56.024 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.006 -25.197 -54.505 1.00 0.00 H new ATOM 0 HE21 GLN A 74 27.513 -23.496 -54.151 1.00 0.00 H new ATOM 0 HE22 GLN A 74 28.038 -21.858 -53.748 1.00 0.00 H new ATOM 1168 N TYR A 75 29.754 -24.874 -51.483 1.00 0.00 N ATOM 1169 CA TYR A 75 29.315 -24.068 -50.328 1.00 0.00 C ATOM 1170 C TYR A 75 30.144 -24.443 -49.091 1.00 0.00 C ATOM 1171 O TYR A 75 30.709 -23.574 -48.453 1.00 0.00 O ATOM 1172 CB TYR A 75 27.801 -24.274 -50.036 1.00 0.00 C ATOM 1173 CG TYR A 75 27.204 -23.356 -48.950 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.531 -22.179 -49.285 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.304 -23.673 -47.590 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.980 -21.368 -48.314 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.758 -22.858 -46.622 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.099 -21.713 -46.986 1.00 0.00 C ATOM 1179 OH TYR A 75 25.551 -20.912 -46.021 1.00 0.00 O ATOM 0 H TYR A 75 29.055 -25.540 -51.813 1.00 0.00 H new ATOM 0 HA TYR A 75 29.470 -23.016 -50.568 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.246 -24.121 -50.962 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.644 -25.311 -49.738 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.440 -21.898 -50.324 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.819 -24.575 -47.293 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.457 -20.466 -48.595 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.849 -23.121 -45.579 1.00 0.00 H new ATOM 0 HH TYR A 75 25.724 -21.299 -45.137 1.00 0.00 H new ATOM 1189 N LEU A 76 30.228 -25.756 -48.797 1.00 0.00 N ATOM 1190 CA LEU A 76 30.866 -26.278 -47.559 1.00 0.00 C ATOM 1191 C LEU A 76 32.362 -25.922 -47.489 1.00 0.00 C ATOM 1192 O LEU A 76 32.871 -25.543 -46.428 1.00 0.00 O ATOM 1193 CB LEU A 76 30.699 -27.814 -47.471 1.00 0.00 C ATOM 1194 CG LEU A 76 29.241 -28.359 -47.544 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.233 -29.892 -47.415 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.306 -27.678 -46.512 1.00 0.00 C ATOM 0 H LEU A 76 29.859 -26.487 -49.405 1.00 0.00 H new ATOM 0 HA LEU A 76 30.364 -25.804 -46.716 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.274 -28.267 -48.279 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.144 -28.153 -46.535 1.00 0.00 H new ATOM 0 HG LEU A 76 28.838 -28.104 -48.524 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.207 -30.256 -47.468 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.815 -30.328 -48.226 1.00 0.00 H new ATOM 0 HD13 LEU A 76 29.671 -30.179 -46.459 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.302 -28.092 -46.602 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.683 -27.858 -45.505 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.275 -26.605 -46.702 1.00 0.00 H new ATOM 1208 N LYS A 77 33.060 -26.052 -48.637 1.00 0.00 N ATOM 1209 CA LYS A 77 34.499 -25.727 -48.732 1.00 0.00 C ATOM 1210 C LYS A 77 34.730 -24.201 -48.628 1.00 0.00 C ATOM 1211 O LYS A 77 35.793 -23.768 -48.197 1.00 0.00 O ATOM 1212 CB LYS A 77 35.131 -26.359 -50.028 1.00 0.00 C ATOM 1213 CG LYS A 77 34.591 -25.851 -51.397 1.00 0.00 C ATOM 1214 CD LYS A 77 35.277 -24.552 -51.898 1.00 0.00 C ATOM 1215 CE LYS A 77 34.736 -24.068 -53.251 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.275 -22.736 -53.619 1.00 0.00 N ATOM 0 H LYS A 77 32.650 -26.380 -49.511 1.00 0.00 H new ATOM 0 HA LYS A 77 35.017 -26.175 -47.884 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.206 -26.183 -50.001 1.00 0.00 H new ATOM 0 HB3 LYS A 77 34.984 -27.438 -49.985 1.00 0.00 H new ATOM 0 HG2 LYS A 77 34.727 -26.634 -52.144 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.519 -25.675 -51.311 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.139 -23.766 -51.156 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.350 -24.725 -51.983 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.995 -24.791 -54.025 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.648 -24.021 -53.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.039 -22.528 -54.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.857 -22.010 -53.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.308 -22.735 -53.502 1.00 0.00 H new ATOM 1230 N SER A 78 33.714 -23.389 -49.022 1.00 0.00 N ATOM 1231 CA SER A 78 33.770 -21.900 -48.928 1.00 0.00 C ATOM 1232 C SER A 78 33.161 -21.386 -47.601 1.00 0.00 C ATOM 1233 O SER A 78 33.305 -20.209 -47.267 1.00 0.00 O ATOM 1234 CB SER A 78 33.023 -21.258 -50.123 1.00 0.00 C ATOM 1235 OG SER A 78 33.570 -21.675 -51.359 1.00 0.00 O ATOM 0 H SER A 78 32.839 -23.741 -49.411 1.00 0.00 H new ATOM 0 HA SER A 78 34.821 -21.612 -48.954 1.00 0.00 H new ATOM 0 HB2 SER A 78 31.968 -21.527 -50.081 1.00 0.00 H new ATOM 0 HB3 SER A 78 33.078 -20.172 -50.047 1.00 0.00 H new ATOM 0 HG SER A 78 33.074 -22.452 -51.691 1.00 0.00 H new ATOM 1241 N HIS A 79 32.458 -22.269 -46.862 1.00 0.00 N ATOM 1242 CA HIS A 79 31.745 -21.919 -45.609 1.00 0.00 C ATOM 1243 C HIS A 79 32.023 -23.004 -44.538 1.00 0.00 C ATOM 1244 O HIS A 79 31.241 -23.961 -44.405 1.00 0.00 O ATOM 1245 CB HIS A 79 30.205 -21.772 -45.845 1.00 0.00 C ATOM 1246 CG HIS A 79 29.793 -20.704 -46.833 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.913 -20.856 -48.199 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.237 -19.483 -46.651 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.449 -19.787 -48.807 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.027 -18.936 -47.897 1.00 0.00 N ATOM 0 H HIS A 79 32.367 -23.252 -47.117 1.00 0.00 H new ATOM 0 HA HIS A 79 32.116 -20.955 -45.261 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.816 -22.730 -46.190 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.728 -21.560 -44.888 1.00 0.00 H new ATOM 0 HD1 HIS A 79 30.303 -21.674 -48.667 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.002 -19.023 -45.703 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.419 -19.633 -49.876 1.00 0.00 H new ATOM 1259 N PRO A 80 33.176 -22.901 -43.792 1.00 0.00 N ATOM 1260 CA PRO A 80 33.495 -23.830 -42.683 1.00 0.00 C ATOM 1261 C PRO A 80 32.536 -23.634 -41.486 1.00 0.00 C ATOM 1262 O PRO A 80 32.047 -22.523 -41.237 1.00 0.00 O ATOM 1263 CB PRO A 80 34.965 -23.483 -42.326 1.00 0.00 C ATOM 1264 CG PRO A 80 35.136 -22.060 -42.760 1.00 0.00 C ATOM 1265 CD PRO A 80 34.259 -21.888 -43.984 1.00 0.00 C ATOM 0 HA PRO A 80 33.375 -24.878 -42.957 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.150 -23.596 -41.258 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.664 -24.141 -42.842 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.840 -21.372 -41.968 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.179 -21.846 -42.994 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.855 -20.878 -44.048 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.816 -22.067 -44.904 1.00 0.00 H new ATOM 1273 N GLY A 81 32.260 -24.735 -40.771 1.00 0.00 N ATOM 1274 CA GLY A 81 31.258 -24.758 -39.701 1.00 0.00 C ATOM 1275 C GLY A 81 30.009 -25.517 -40.132 1.00 0.00 C ATOM 1276 O GLY A 81 29.338 -26.142 -39.302 1.00 0.00 O ATOM 0 H GLY A 81 32.725 -25.631 -40.920 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.682 -25.225 -38.812 1.00 0.00 H new ATOM 0 HA3 GLY A 81 30.990 -23.737 -39.428 1.00 0.00 H new ATOM 1280 N ASN A 82 29.702 -25.457 -41.443 1.00 0.00 N ATOM 1281 CA ASN A 82 28.559 -26.179 -42.044 1.00 0.00 C ATOM 1282 C ASN A 82 28.903 -27.682 -42.203 1.00 0.00 C ATOM 1283 O ASN A 82 30.022 -28.008 -42.626 1.00 0.00 O ATOM 1284 CB ASN A 82 28.180 -25.551 -43.419 1.00 0.00 C ATOM 1285 CG ASN A 82 27.597 -24.143 -43.285 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.387 -23.973 -43.166 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.455 -23.127 -43.297 1.00 0.00 N ATOM 0 H ASN A 82 30.237 -24.908 -42.116 1.00 0.00 H new ATOM 0 HA ASN A 82 27.698 -26.089 -41.381 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.066 -25.514 -44.053 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.456 -26.193 -43.920 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.114 -22.170 -43.206 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.454 -23.305 -43.398 1.00 0.00 H new ATOM 1294 N PRO A 83 27.949 -28.616 -41.855 1.00 0.00 N ATOM 1295 CA PRO A 83 28.196 -30.082 -41.892 1.00 0.00 C ATOM 1296 C PRO A 83 28.403 -30.627 -43.323 1.00 0.00 C ATOM 1297 O PRO A 83 28.029 -29.985 -44.306 1.00 0.00 O ATOM 1298 CB PRO A 83 26.924 -30.674 -41.234 1.00 0.00 C ATOM 1299 CG PRO A 83 25.860 -29.656 -41.489 1.00 0.00 C ATOM 1300 CD PRO A 83 26.561 -28.317 -41.406 1.00 0.00 C ATOM 0 HA PRO A 83 29.118 -30.353 -41.377 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.663 -31.638 -41.671 1.00 0.00 H new ATOM 0 HB3 PRO A 83 27.069 -30.837 -40.166 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.403 -29.801 -42.468 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.061 -29.728 -40.751 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.084 -27.575 -42.047 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.545 -27.919 -40.391 1.00 0.00 H new ATOM 1308 N ALA A 84 28.985 -31.837 -43.392 1.00 0.00 N ATOM 1309 CA ALA A 84 29.413 -32.477 -44.649 1.00 0.00 C ATOM 1310 C ALA A 84 28.215 -33.031 -45.450 1.00 0.00 C ATOM 1311 O ALA A 84 27.232 -33.475 -44.866 1.00 0.00 O ATOM 1312 CB ALA A 84 30.428 -33.595 -44.344 1.00 0.00 C ATOM 0 H ALA A 84 29.174 -32.405 -42.566 1.00 0.00 H new ATOM 0 HA ALA A 84 29.889 -31.718 -45.270 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.742 -34.066 -45.276 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.297 -33.170 -43.841 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.964 -34.341 -43.699 1.00 0.00 H new ATOM 1318 N ILE A 85 28.354 -33.047 -46.798 1.00 0.00 N ATOM 1319 CA ILE A 85 27.289 -33.482 -47.743 1.00 0.00 C ATOM 1320 C ILE A 85 26.975 -34.994 -47.601 1.00 0.00 C ATOM 1321 O ILE A 85 25.964 -35.491 -48.131 1.00 0.00 O ATOM 1322 CB ILE A 85 27.664 -33.111 -49.237 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.454 -33.353 -50.205 1.00 0.00 C ATOM 1324 CG2 ILE A 85 28.936 -33.859 -49.714 1.00 0.00 C ATOM 1325 CD1 ILE A 85 26.686 -32.937 -51.644 1.00 0.00 C ATOM 0 H ILE A 85 29.213 -32.757 -47.266 1.00 0.00 H new ATOM 0 HA ILE A 85 26.381 -32.939 -47.481 1.00 0.00 H new ATOM 0 HB ILE A 85 27.894 -32.046 -49.259 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.201 -34.413 -50.186 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.589 -32.812 -49.822 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.159 -33.577 -50.743 1.00 0.00 H new ATOM 0 HG22 ILE A 85 29.777 -33.592 -49.074 1.00 0.00 H new ATOM 0 HG23 ILE A 85 28.767 -34.935 -49.661 1.00 0.00 H new ATOM 0 HD11 ILE A 85 25.792 -33.145 -52.232 1.00 0.00 H new ATOM 0 HD12 ILE A 85 26.906 -31.870 -51.683 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.527 -33.496 -52.053 1.00 0.00 H new ATOM 1337 N ALA A 86 27.845 -35.709 -46.864 1.00 0.00 N ATOM 1338 CA ALA A 86 27.639 -37.118 -46.485 1.00 0.00 C ATOM 1339 C ALA A 86 26.283 -37.330 -45.773 1.00 0.00 C ATOM 1340 O ALA A 86 25.573 -38.297 -46.058 1.00 0.00 O ATOM 1341 CB ALA A 86 28.795 -37.587 -45.587 1.00 0.00 C ATOM 0 H ALA A 86 28.720 -35.320 -46.512 1.00 0.00 H new ATOM 0 HA ALA A 86 27.622 -37.714 -47.398 1.00 0.00 H new ATOM 0 HB1 ALA A 86 28.640 -38.629 -45.309 1.00 0.00 H new ATOM 0 HB2 ALA A 86 29.737 -37.492 -46.127 1.00 0.00 H new ATOM 0 HB3 ALA A 86 28.829 -36.972 -44.687 1.00 0.00 H new ATOM 1347 N GLU A 87 25.926 -36.396 -44.866 1.00 0.00 N ATOM 1348 CA GLU A 87 24.655 -36.461 -44.108 1.00 0.00 C ATOM 1349 C GLU A 87 23.522 -35.678 -44.806 1.00 0.00 C ATOM 1350 O GLU A 87 22.424 -35.546 -44.254 1.00 0.00 O ATOM 1351 CB GLU A 87 24.871 -35.960 -42.654 1.00 0.00 C ATOM 1352 CG GLU A 87 25.470 -34.547 -42.527 1.00 0.00 C ATOM 1353 CD GLU A 87 25.650 -34.110 -41.066 1.00 0.00 C ATOM 1354 OE1 GLU A 87 24.656 -33.701 -40.429 1.00 0.00 O ATOM 1355 OE2 GLU A 87 26.780 -34.181 -40.532 1.00 0.00 O ATOM 0 H GLU A 87 26.501 -35.585 -44.639 1.00 0.00 H new ATOM 0 HA GLU A 87 24.341 -37.504 -44.075 1.00 0.00 H new ATOM 0 HB2 GLU A 87 23.913 -35.979 -42.135 1.00 0.00 H new ATOM 0 HB3 GLU A 87 25.526 -36.662 -42.139 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.436 -34.519 -43.032 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.822 -33.835 -43.038 1.00 0.00 H new ATOM 1362 N PHE A 88 23.793 -35.148 -46.007 1.00 0.00 N ATOM 1363 CA PHE A 88 22.793 -34.433 -46.822 1.00 0.00 C ATOM 1364 C PHE A 88 22.152 -35.411 -47.827 1.00 0.00 C ATOM 1365 O PHE A 88 22.803 -35.869 -48.777 1.00 0.00 O ATOM 1366 CB PHE A 88 23.444 -33.225 -47.551 1.00 0.00 C ATOM 1367 CG PHE A 88 23.777 -32.038 -46.649 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.383 -30.757 -46.995 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.486 -32.195 -45.461 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.694 -29.682 -46.199 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.792 -31.121 -44.666 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.398 -29.862 -45.036 1.00 0.00 C ATOM 0 H PHE A 88 24.713 -35.202 -46.444 1.00 0.00 H new ATOM 0 HA PHE A 88 22.012 -34.041 -46.170 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.359 -33.562 -48.037 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.770 -32.887 -48.339 1.00 0.00 H new ATOM 0 HD1 PHE A 88 22.822 -30.601 -47.905 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.801 -33.183 -45.160 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.383 -28.690 -46.490 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.343 -31.267 -43.749 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.641 -29.014 -44.413 1.00 0.00 H new ATOM 1382 N ASP A 89 20.873 -35.730 -47.592 1.00 0.00 N ATOM 1383 CA ASP A 89 20.111 -36.705 -48.384 1.00 0.00 C ATOM 1384 C ASP A 89 19.512 -36.056 -49.642 1.00 0.00 C ATOM 1385 O ASP A 89 18.380 -35.556 -49.631 1.00 0.00 O ATOM 1386 CB ASP A 89 19.010 -37.357 -47.500 1.00 0.00 C ATOM 1387 CG ASP A 89 19.591 -38.142 -46.306 1.00 0.00 C ATOM 1388 OD1 ASP A 89 19.600 -39.395 -46.336 1.00 0.00 O ATOM 1389 OD2 ASP A 89 20.042 -37.510 -45.324 1.00 0.00 O ATOM 0 H ASP A 89 20.330 -35.312 -46.836 1.00 0.00 H new ATOM 0 HA ASP A 89 20.790 -37.487 -48.723 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.342 -36.580 -47.128 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.409 -38.029 -48.113 1.00 0.00 H new ATOM 1394 N TRP A 90 20.322 -36.017 -50.708 1.00 0.00 N ATOM 1395 CA TRP A 90 19.863 -35.651 -52.059 1.00 0.00 C ATOM 1396 C TRP A 90 19.124 -36.846 -52.706 1.00 0.00 C ATOM 1397 O TRP A 90 18.226 -36.660 -53.533 1.00 0.00 O ATOM 1398 CB TRP A 90 21.065 -35.213 -52.938 1.00 0.00 C ATOM 1399 CG TRP A 90 21.728 -33.931 -52.474 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.769 -33.795 -51.591 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.370 -32.595 -52.868 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.077 -32.465 -51.428 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.228 -31.712 -52.199 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.408 -32.069 -53.728 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.143 -30.333 -52.361 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.326 -30.699 -53.884 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.188 -29.846 -53.201 1.00 0.00 C ATOM 0 H TRP A 90 21.317 -36.238 -50.660 1.00 0.00 H new ATOM 0 HA TRP A 90 19.172 -34.812 -51.982 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.807 -36.012 -52.947 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.724 -35.083 -53.965 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.273 -34.613 -51.097 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.817 -32.097 -50.830 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.736 -32.723 -54.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 22.814 -29.669 -51.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 19.581 -30.283 -54.546 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.098 -28.779 -53.340 1.00 0.00 H new ATOM 1418 N THR A 91 19.496 -38.071 -52.268 1.00 0.00 N ATOM 1419 CA THR A 91 18.988 -39.347 -52.816 1.00 0.00 C ATOM 1420 C THR A 91 17.663 -39.796 -52.133 1.00 0.00 C ATOM 1421 O THR A 91 17.200 -40.928 -52.344 1.00 0.00 O ATOM 1422 CB THR A 91 20.096 -40.455 -52.674 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.699 -41.659 -53.343 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.441 -40.771 -51.205 1.00 0.00 C ATOM 0 H THR A 91 20.168 -38.201 -51.512 1.00 0.00 H new ATOM 0 HA THR A 91 18.757 -39.195 -53.870 1.00 0.00 H new ATOM 0 HB THR A 91 20.993 -40.051 -53.143 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.725 -41.757 -53.289 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.211 -41.542 -51.170 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.808 -39.869 -50.715 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.548 -41.126 -50.690 1.00 0.00 H new