USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.48 K(o=0.48,f=-1.5!) USER MOD Set 2.1: A 67 SER OG : rot -75:sc= 0.0581 USER MOD Set 2.2: A 68 ASN : amide:sc= -1.05 K(o=-1.6,f=-3.1!) USER MOD Set 2.3: A 71 GLN : amide:sc= -0.601 K(o=-1.6,f=-2.9!) USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 28:sc= 0.169 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 0.229 (180deg=0.167) USER MOD Single : A 41 LYS NZ :NH3+ -139:sc= 0.0701 (180deg=-1.96!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -28:sc= 0.224 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= -0.0147 (180deg=-0.157) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.156 K(o=0.16,f=-0.7) USER MOD Single : A 91 THR OG1 : rot -30:sc= 0.638 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 4.124 -27.726 -55.446 1.00 0.00 N ATOM 430 CA VAL A 29 4.071 -28.968 -54.648 1.00 0.00 C ATOM 431 C VAL A 29 5.483 -29.332 -54.118 1.00 0.00 C ATOM 432 O VAL A 29 6.392 -29.675 -54.885 1.00 0.00 O ATOM 433 CB VAL A 29 3.393 -30.169 -55.446 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.917 -29.827 -55.781 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.166 -30.557 -56.738 1.00 0.00 C ATOM 0 HA VAL A 29 3.429 -28.786 -53.786 1.00 0.00 H new ATOM 0 HB VAL A 29 3.427 -31.039 -54.790 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.466 -30.656 -56.326 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.364 -29.657 -54.857 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.882 -28.927 -56.395 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.653 -31.380 -57.235 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.209 -29.698 -57.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.179 -30.865 -56.478 1.00 0.00 H new ATOM 445 N SER A 30 5.664 -29.206 -52.789 1.00 0.00 N ATOM 446 CA SER A 30 6.948 -29.422 -52.111 1.00 0.00 C ATOM 447 C SER A 30 6.736 -30.276 -50.850 1.00 0.00 C ATOM 448 O SER A 30 5.922 -29.931 -49.985 1.00 0.00 O ATOM 449 CB SER A 30 7.573 -28.062 -51.733 1.00 0.00 C ATOM 450 OG SER A 30 6.683 -27.282 -50.950 1.00 0.00 O ATOM 0 H SER A 30 4.910 -28.948 -52.152 1.00 0.00 H new ATOM 0 HA SER A 30 7.625 -29.949 -52.783 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.498 -28.226 -51.180 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.836 -27.516 -52.639 1.00 0.00 H new ATOM 0 HG SER A 30 6.089 -27.874 -50.443 1.00 0.00 H new ATOM 456 N VAL A 31 7.464 -31.393 -50.778 1.00 0.00 N ATOM 457 CA VAL A 31 7.496 -32.279 -49.608 1.00 0.00 C ATOM 458 C VAL A 31 8.872 -32.146 -48.938 1.00 0.00 C ATOM 459 O VAL A 31 9.896 -32.446 -49.561 1.00 0.00 O ATOM 460 CB VAL A 31 7.223 -33.780 -50.012 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.334 -34.738 -48.794 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.845 -33.915 -50.712 1.00 0.00 C ATOM 0 H VAL A 31 8.058 -31.714 -51.543 1.00 0.00 H new ATOM 0 HA VAL A 31 6.708 -31.986 -48.914 1.00 0.00 H new ATOM 0 HB VAL A 31 7.997 -34.077 -50.720 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.139 -35.761 -49.117 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.337 -34.676 -48.372 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.604 -34.451 -48.037 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.675 -34.957 -50.983 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.059 -33.583 -50.034 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.832 -33.300 -51.612 1.00 0.00 H new ATOM 472 N GLU A 32 8.885 -31.656 -47.692 1.00 0.00 N ATOM 473 CA GLU A 32 10.110 -31.517 -46.894 1.00 0.00 C ATOM 474 C GLU A 32 10.541 -32.883 -46.331 1.00 0.00 C ATOM 475 O GLU A 32 9.756 -33.574 -45.673 1.00 0.00 O ATOM 476 CB GLU A 32 9.902 -30.493 -45.753 1.00 0.00 C ATOM 477 CG GLU A 32 9.617 -29.062 -46.248 1.00 0.00 C ATOM 478 CD GLU A 32 9.356 -28.067 -45.104 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.328 -27.474 -44.583 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.179 -27.883 -44.714 1.00 0.00 O ATOM 0 H GLU A 32 8.044 -31.344 -47.207 1.00 0.00 H new ATOM 0 HA GLU A 32 10.905 -31.147 -47.541 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.073 -30.823 -45.127 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.791 -30.479 -45.123 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.464 -28.713 -46.838 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.752 -29.079 -46.911 1.00 0.00 H new ATOM 487 N LEU A 33 11.791 -33.256 -46.615 1.00 0.00 N ATOM 488 CA LEU A 33 12.390 -34.552 -46.227 1.00 0.00 C ATOM 489 C LEU A 33 13.288 -34.349 -44.969 1.00 0.00 C ATOM 490 O LEU A 33 13.529 -33.192 -44.588 1.00 0.00 O ATOM 491 CB LEU A 33 13.168 -35.135 -47.471 1.00 0.00 C ATOM 492 CG LEU A 33 12.351 -36.034 -48.464 1.00 0.00 C ATOM 493 CD1 LEU A 33 12.043 -37.411 -47.859 1.00 0.00 C ATOM 494 CD2 LEU A 33 11.061 -35.350 -48.915 1.00 0.00 C ATOM 0 H LEU A 33 12.436 -32.658 -47.132 1.00 0.00 H new ATOM 0 HA LEU A 33 11.630 -35.282 -45.948 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.582 -34.299 -48.034 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.011 -35.719 -47.101 1.00 0.00 H new ATOM 0 HG LEU A 33 12.980 -36.182 -49.342 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.476 -38.005 -48.576 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.977 -37.922 -47.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.457 -37.286 -46.948 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.523 -36.004 -49.602 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.436 -35.143 -48.046 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.302 -34.414 -49.419 1.00 0.00 H new ATOM 506 N PRO A 34 13.781 -35.453 -44.273 1.00 0.00 N ATOM 507 CA PRO A 34 14.606 -35.331 -43.032 1.00 0.00 C ATOM 508 C PRO A 34 15.857 -34.443 -43.219 1.00 0.00 C ATOM 509 O PRO A 34 16.663 -34.674 -44.132 1.00 0.00 O ATOM 510 CB PRO A 34 14.996 -36.803 -42.690 1.00 0.00 C ATOM 511 CG PRO A 34 14.772 -37.552 -43.964 1.00 0.00 C ATOM 512 CD PRO A 34 13.570 -36.894 -44.595 1.00 0.00 C ATOM 0 HA PRO A 34 14.052 -34.839 -42.233 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.034 -36.874 -42.365 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.381 -37.200 -41.882 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.643 -37.492 -44.616 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.589 -38.610 -43.774 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.531 -37.067 -45.670 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.636 -37.270 -44.177 1.00 0.00 H new ATOM 520 N ALA A 35 15.996 -33.439 -42.338 1.00 0.00 N ATOM 521 CA ALA A 35 17.017 -32.372 -42.441 1.00 0.00 C ATOM 522 C ALA A 35 18.030 -32.432 -41.280 1.00 0.00 C ATOM 523 O ALA A 35 17.718 -32.981 -40.221 1.00 0.00 O ATOM 524 CB ALA A 35 16.319 -30.995 -42.453 1.00 0.00 C ATOM 0 H ALA A 35 15.395 -33.340 -41.520 1.00 0.00 H new ATOM 0 HA ALA A 35 17.569 -32.523 -43.369 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.069 -30.208 -42.529 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.644 -30.937 -43.307 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.751 -30.867 -41.532 1.00 0.00 H new ATOM 530 N PRO A 36 19.267 -31.867 -41.464 1.00 0.00 N ATOM 531 CA PRO A 36 20.202 -31.613 -40.343 1.00 0.00 C ATOM 532 C PRO A 36 19.727 -30.415 -39.479 1.00 0.00 C ATOM 533 O PRO A 36 18.784 -29.704 -39.852 1.00 0.00 O ATOM 534 CB PRO A 36 21.546 -31.326 -41.057 1.00 0.00 C ATOM 535 CG PRO A 36 21.133 -30.739 -42.370 1.00 0.00 C ATOM 536 CD PRO A 36 19.863 -31.466 -42.770 1.00 0.00 C ATOM 0 HA PRO A 36 20.275 -32.445 -39.643 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.163 -30.633 -40.485 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.130 -32.236 -41.192 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.958 -29.667 -42.281 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.912 -30.873 -43.120 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.192 -30.820 -43.336 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.076 -32.332 -43.397 1.00 0.00 H new ATOM 544 N SER A 37 20.393 -30.212 -38.334 1.00 0.00 N ATOM 545 CA SER A 37 20.035 -29.161 -37.360 1.00 0.00 C ATOM 546 C SER A 37 20.266 -27.747 -37.932 1.00 0.00 C ATOM 547 O SER A 37 19.404 -26.865 -37.816 1.00 0.00 O ATOM 548 CB SER A 37 20.862 -29.356 -36.065 1.00 0.00 C ATOM 549 OG SER A 37 22.254 -29.413 -36.348 1.00 0.00 O ATOM 0 H SER A 37 21.198 -30.771 -38.053 1.00 0.00 H new ATOM 0 HA SER A 37 18.972 -29.252 -37.137 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.662 -28.536 -35.375 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.552 -30.274 -35.567 1.00 0.00 H new ATOM 0 HG SER A 37 22.753 -29.535 -35.513 1.00 0.00 H new ATOM 555 N SER A 38 21.438 -27.569 -38.555 1.00 0.00 N ATOM 556 CA SER A 38 21.902 -26.268 -39.059 1.00 0.00 C ATOM 557 C SER A 38 21.124 -25.831 -40.315 1.00 0.00 C ATOM 558 O SER A 38 20.773 -24.663 -40.466 1.00 0.00 O ATOM 559 CB SER A 38 23.407 -26.362 -39.369 1.00 0.00 C ATOM 560 OG SER A 38 24.114 -26.947 -38.289 1.00 0.00 O ATOM 0 H SER A 38 22.097 -28.329 -38.725 1.00 0.00 H new ATOM 0 HA SER A 38 21.723 -25.514 -38.292 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.559 -26.954 -40.271 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.803 -25.367 -39.571 1.00 0.00 H new ATOM 0 HG SER A 38 25.067 -26.997 -38.511 1.00 0.00 H new ATOM 566 N TRP A 39 20.861 -26.795 -41.209 1.00 0.00 N ATOM 567 CA TRP A 39 20.217 -26.544 -42.513 1.00 0.00 C ATOM 568 C TRP A 39 18.751 -27.009 -42.502 1.00 0.00 C ATOM 569 O TRP A 39 18.213 -27.409 -41.465 1.00 0.00 O ATOM 570 CB TRP A 39 20.993 -27.276 -43.643 1.00 0.00 C ATOM 571 CG TRP A 39 22.387 -26.764 -43.904 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.417 -26.637 -43.018 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.900 -26.350 -45.164 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.526 -26.145 -43.652 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.236 -25.973 -44.973 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.346 -26.269 -46.436 1.00 0.00 C ATOM 577 CZ2 TRP A 39 25.023 -25.509 -46.009 1.00 0.00 C ATOM 578 CZ3 TRP A 39 23.126 -25.814 -47.461 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.458 -25.443 -47.250 1.00 0.00 C ATOM 0 H TRP A 39 21.089 -27.776 -41.050 1.00 0.00 H new ATOM 0 HA TRP A 39 20.237 -25.470 -42.699 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.054 -28.335 -43.392 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.417 -27.199 -44.565 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.365 -26.888 -41.969 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.422 -25.941 -43.209 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.321 -26.560 -46.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.047 -25.210 -45.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.706 -25.739 -48.453 1.00 0.00 H new ATOM 0 HH2 TRP A 39 25.051 -25.098 -48.084 1.00 0.00 H new ATOM 590 N LYS A 40 18.126 -26.938 -43.683 1.00 0.00 N ATOM 591 CA LYS A 40 16.791 -27.474 -43.948 1.00 0.00 C ATOM 592 C LYS A 40 16.868 -28.322 -45.223 1.00 0.00 C ATOM 593 O LYS A 40 17.785 -28.157 -46.040 1.00 0.00 O ATOM 594 CB LYS A 40 15.733 -26.317 -44.065 1.00 0.00 C ATOM 595 CG LYS A 40 14.440 -26.533 -43.236 1.00 0.00 C ATOM 596 CD LYS A 40 14.732 -26.729 -41.722 1.00 0.00 C ATOM 597 CE LYS A 40 15.488 -25.535 -41.086 1.00 0.00 C ATOM 598 NZ LYS A 40 16.140 -25.899 -39.800 1.00 0.00 N ATOM 0 H LYS A 40 18.547 -26.495 -44.499 1.00 0.00 H new ATOM 0 HA LYS A 40 16.460 -28.101 -43.120 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.199 -25.384 -43.749 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.460 -26.198 -45.114 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.780 -25.676 -43.368 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.909 -27.406 -43.617 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.790 -26.878 -41.193 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.320 -27.637 -41.587 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.243 -25.173 -41.784 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.790 -24.715 -40.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.441 -25.034 -39.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.466 -26.421 -39.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.970 -26.497 -39.989 1.00 0.00 H new ATOM 612 N LYS A 41 15.913 -29.233 -45.374 1.00 0.00 N ATOM 613 CA LYS A 41 15.884 -30.201 -46.470 1.00 0.00 C ATOM 614 C LYS A 41 14.462 -30.301 -47.011 1.00 0.00 C ATOM 615 O LYS A 41 13.500 -30.526 -46.271 1.00 0.00 O ATOM 616 CB LYS A 41 16.424 -31.564 -45.971 1.00 0.00 C ATOM 617 CG LYS A 41 16.042 -32.804 -46.791 1.00 0.00 C ATOM 618 CD LYS A 41 16.625 -32.827 -48.210 1.00 0.00 C ATOM 619 CE LYS A 41 16.506 -34.224 -48.823 1.00 0.00 C ATOM 620 NZ LYS A 41 17.036 -35.268 -47.898 1.00 0.00 N ATOM 0 H LYS A 41 15.126 -29.323 -44.731 1.00 0.00 H new ATOM 0 HA LYS A 41 16.528 -29.877 -47.288 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.512 -31.505 -45.932 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.077 -31.713 -44.949 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.377 -33.694 -46.259 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.955 -32.861 -46.856 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.101 -32.105 -48.835 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.672 -32.525 -48.183 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.462 -34.435 -49.053 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.053 -34.258 -49.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.579 -35.969 -48.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.655 -34.823 -47.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.244 -35.740 -47.417 1.00 0.00 H new ATOM 634 N LEU A 42 14.377 -30.114 -48.317 1.00 0.00 N ATOM 635 CA LEU A 42 13.148 -30.104 -49.090 1.00 0.00 C ATOM 636 C LEU A 42 13.380 -30.923 -50.372 1.00 0.00 C ATOM 637 O LEU A 42 14.514 -31.045 -50.856 1.00 0.00 O ATOM 638 CB LEU A 42 12.751 -28.606 -49.339 1.00 0.00 C ATOM 639 CG LEU A 42 11.646 -28.279 -50.410 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.910 -26.952 -50.097 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.248 -28.212 -51.826 1.00 0.00 C ATOM 0 H LEU A 42 15.203 -29.958 -48.894 1.00 0.00 H new ATOM 0 HA LEU A 42 12.310 -30.572 -48.573 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.420 -28.190 -48.387 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.655 -28.069 -49.624 1.00 0.00 H new ATOM 0 HG LEU A 42 10.920 -29.091 -50.367 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.156 -26.765 -50.862 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.428 -27.024 -49.122 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.628 -26.132 -50.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.461 -27.985 -52.545 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.009 -27.432 -51.861 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.701 -29.172 -52.075 1.00 0.00 H new ATOM 653 N PHE A 43 12.301 -31.504 -50.891 1.00 0.00 N ATOM 654 CA PHE A 43 12.273 -32.170 -52.193 1.00 0.00 C ATOM 655 C PHE A 43 11.037 -31.689 -52.958 1.00 0.00 C ATOM 656 O PHE A 43 9.971 -31.485 -52.369 1.00 0.00 O ATOM 657 CB PHE A 43 12.266 -33.712 -52.004 1.00 0.00 C ATOM 658 CG PHE A 43 12.070 -34.526 -53.289 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.930 -34.369 -54.379 1.00 0.00 C ATOM 660 CD2 PHE A 43 11.020 -35.440 -53.411 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.749 -35.093 -55.542 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.843 -36.165 -54.574 1.00 0.00 C ATOM 663 CZ PHE A 43 11.704 -35.989 -55.641 1.00 0.00 C ATOM 0 H PHE A 43 11.402 -31.526 -50.409 1.00 0.00 H new ATOM 0 HA PHE A 43 13.164 -31.919 -52.769 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.208 -34.010 -51.544 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.473 -33.973 -51.303 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.750 -33.670 -54.311 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.338 -35.582 -52.586 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.425 -34.958 -56.373 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.029 -36.871 -54.650 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.559 -36.552 -56.551 1.00 0.00 H new ATOM 673 N TYR A 44 11.200 -31.470 -54.265 1.00 0.00 N ATOM 674 CA TYR A 44 10.089 -31.117 -55.161 1.00 0.00 C ATOM 675 C TYR A 44 9.670 -32.357 -55.985 1.00 0.00 C ATOM 676 O TYR A 44 10.334 -32.691 -56.966 1.00 0.00 O ATOM 677 CB TYR A 44 10.492 -29.952 -56.101 1.00 0.00 C ATOM 678 CG TYR A 44 10.337 -28.551 -55.518 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.437 -27.782 -55.138 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.074 -28.006 -55.338 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.270 -26.517 -54.599 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.904 -26.750 -54.807 1.00 0.00 C ATOM 683 CZ TYR A 44 10.001 -26.008 -54.435 1.00 0.00 C ATOM 684 OH TYR A 44 9.827 -24.754 -53.892 1.00 0.00 O ATOM 0 H TYR A 44 12.103 -31.532 -54.734 1.00 0.00 H new ATOM 0 HA TYR A 44 9.242 -30.787 -54.559 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.532 -30.090 -56.396 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.892 -30.017 -57.009 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.433 -28.179 -55.266 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.205 -28.582 -55.621 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.131 -25.933 -54.309 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.910 -26.346 -54.682 1.00 0.00 H new ATOM 0 HH TYR A 44 8.870 -24.547 -53.847 1.00 0.00 H new ATOM 694 N PRO A 45 8.578 -33.081 -55.590 1.00 0.00 N ATOM 695 CA PRO A 45 8.028 -34.200 -56.387 1.00 0.00 C ATOM 696 C PRO A 45 7.082 -33.699 -57.496 1.00 0.00 C ATOM 697 O PRO A 45 6.827 -32.492 -57.621 1.00 0.00 O ATOM 698 CB PRO A 45 7.262 -35.020 -55.317 1.00 0.00 C ATOM 699 CG PRO A 45 6.725 -33.970 -54.390 1.00 0.00 C ATOM 700 CD PRO A 45 7.786 -32.875 -54.346 1.00 0.00 C ATOM 0 HA PRO A 45 8.791 -34.772 -56.915 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.461 -35.611 -55.761 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.920 -35.716 -54.797 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.774 -33.579 -54.751 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.545 -34.380 -53.396 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.334 -31.884 -54.322 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.411 -32.962 -53.457 1.00 0.00 H new ATOM 852 N GLU A 55 14.366 -31.369 -58.792 1.00 0.00 N ATOM 853 CA GLU A 55 15.300 -32.116 -57.919 1.00 0.00 C ATOM 854 C GLU A 55 15.176 -31.671 -56.432 1.00 0.00 C ATOM 855 O GLU A 55 14.246 -30.944 -56.052 1.00 0.00 O ATOM 856 CB GLU A 55 16.772 -31.977 -58.442 1.00 0.00 C ATOM 857 CG GLU A 55 17.355 -30.539 -58.461 1.00 0.00 C ATOM 858 CD GLU A 55 16.901 -29.698 -59.664 1.00 0.00 C ATOM 859 OE1 GLU A 55 17.426 -29.912 -60.782 1.00 0.00 O ATOM 860 OE2 GLU A 55 16.025 -28.823 -59.509 1.00 0.00 O ATOM 0 HA GLU A 55 15.026 -33.170 -57.957 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.417 -32.601 -57.823 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.816 -32.379 -59.454 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.065 -30.028 -57.543 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.443 -30.599 -58.462 1.00 0.00 H new ATOM 867 N VAL A 56 16.132 -32.143 -55.610 1.00 0.00 N ATOM 868 CA VAL A 56 16.208 -31.872 -54.166 1.00 0.00 C ATOM 869 C VAL A 56 16.869 -30.499 -53.911 1.00 0.00 C ATOM 870 O VAL A 56 17.776 -30.094 -54.652 1.00 0.00 O ATOM 871 CB VAL A 56 17.047 -33.003 -53.459 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.271 -32.720 -51.956 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.404 -34.394 -53.671 1.00 0.00 C ATOM 0 H VAL A 56 16.891 -32.738 -55.942 1.00 0.00 H new ATOM 0 HA VAL A 56 15.198 -31.857 -53.757 1.00 0.00 H new ATOM 0 HB VAL A 56 18.029 -33.005 -53.932 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.854 -33.529 -51.516 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.810 -31.780 -51.839 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.307 -32.651 -51.451 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.006 -35.153 -53.171 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.397 -34.397 -53.254 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.355 -34.614 -54.738 1.00 0.00 H new ATOM 883 N VAL A 57 16.395 -29.788 -52.862 1.00 0.00 N ATOM 884 CA VAL A 57 16.934 -28.479 -52.429 1.00 0.00 C ATOM 885 C VAL A 57 17.284 -28.542 -50.925 1.00 0.00 C ATOM 886 O VAL A 57 16.465 -28.981 -50.116 1.00 0.00 O ATOM 887 CB VAL A 57 15.888 -27.315 -52.678 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.435 -25.927 -52.234 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.426 -27.285 -54.158 1.00 0.00 C ATOM 0 H VAL A 57 15.618 -30.112 -52.286 1.00 0.00 H new ATOM 0 HA VAL A 57 17.828 -28.266 -53.015 1.00 0.00 H new ATOM 0 HB VAL A 57 15.020 -27.530 -52.055 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.683 -25.162 -52.424 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.667 -25.951 -51.169 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.339 -25.695 -52.797 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.709 -26.476 -54.299 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.288 -27.122 -54.805 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.956 -28.235 -54.412 1.00 0.00 H new ATOM 899 N PHE A 58 18.511 -28.132 -50.562 1.00 0.00 N ATOM 900 CA PHE A 58 18.918 -27.945 -49.155 1.00 0.00 C ATOM 901 C PHE A 58 18.987 -26.436 -48.856 1.00 0.00 C ATOM 902 O PHE A 58 19.817 -25.729 -49.431 1.00 0.00 O ATOM 903 CB PHE A 58 20.289 -28.623 -48.860 1.00 0.00 C ATOM 904 CG PHE A 58 20.225 -30.127 -48.565 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.137 -31.064 -49.590 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.276 -30.602 -47.248 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.105 -32.421 -49.317 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.239 -31.960 -46.979 1.00 0.00 C ATOM 909 CZ PHE A 58 20.158 -32.868 -48.014 1.00 0.00 C ATOM 0 H PHE A 58 19.249 -27.921 -51.233 1.00 0.00 H new ATOM 0 HA PHE A 58 18.180 -28.420 -48.508 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.946 -28.465 -49.715 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.748 -28.121 -48.008 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.093 -30.727 -50.615 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.345 -29.899 -46.431 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.038 -33.132 -50.128 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.274 -32.309 -45.957 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.136 -33.927 -47.804 1.00 0.00 H new ATOM 919 N VAL A 59 18.114 -25.956 -47.962 1.00 0.00 N ATOM 920 CA VAL A 59 18.086 -24.547 -47.545 1.00 0.00 C ATOM 921 C VAL A 59 19.178 -24.294 -46.501 1.00 0.00 C ATOM 922 O VAL A 59 19.345 -25.067 -45.561 1.00 0.00 O ATOM 923 CB VAL A 59 16.664 -24.145 -46.994 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.699 -22.881 -46.091 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.673 -23.954 -48.165 1.00 0.00 C ATOM 0 H VAL A 59 17.407 -26.533 -47.507 1.00 0.00 H new ATOM 0 HA VAL A 59 18.284 -23.920 -48.415 1.00 0.00 H new ATOM 0 HB VAL A 59 16.324 -24.965 -46.362 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.691 -22.655 -45.743 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.347 -23.064 -45.234 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.084 -22.036 -46.662 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.695 -23.677 -47.772 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.036 -23.165 -48.824 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.588 -24.885 -48.725 1.00 0.00 H new ATOM 935 N ALA A 60 19.913 -23.196 -46.702 1.00 0.00 N ATOM 936 CA ALA A 60 21.058 -22.816 -45.862 1.00 0.00 C ATOM 937 C ALA A 60 20.607 -22.011 -44.627 1.00 0.00 C ATOM 938 O ALA A 60 19.568 -21.340 -44.680 1.00 0.00 O ATOM 939 CB ALA A 60 22.065 -22.019 -46.706 1.00 0.00 C ATOM 0 H ALA A 60 19.730 -22.538 -47.459 1.00 0.00 H new ATOM 0 HA ALA A 60 21.540 -23.721 -45.492 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.916 -21.736 -46.086 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.411 -22.634 -47.537 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.584 -21.121 -47.095 1.00 0.00 H new ATOM 945 N PRO A 61 21.415 -22.014 -43.512 1.00 0.00 N ATOM 946 CA PRO A 61 21.071 -21.285 -42.242 1.00 0.00 C ATOM 947 C PRO A 61 21.132 -19.731 -42.346 1.00 0.00 C ATOM 948 O PRO A 61 21.001 -19.033 -41.332 1.00 0.00 O ATOM 949 CB PRO A 61 22.143 -21.812 -41.245 1.00 0.00 C ATOM 950 CG PRO A 61 23.312 -22.176 -42.112 1.00 0.00 C ATOM 951 CD PRO A 61 22.709 -22.754 -43.373 1.00 0.00 C ATOM 0 HA PRO A 61 20.038 -21.473 -41.950 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.413 -21.051 -40.513 1.00 0.00 H new ATOM 0 HB3 PRO A 61 21.778 -22.675 -40.688 1.00 0.00 H new ATOM 0 HG2 PRO A 61 23.924 -21.302 -42.334 1.00 0.00 H new ATOM 0 HG3 PRO A 61 23.958 -22.901 -41.617 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.356 -22.597 -44.236 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.550 -23.829 -43.286 1.00 0.00 H new ATOM 959 N THR A 62 21.326 -19.203 -43.568 1.00 0.00 N ATOM 960 CA THR A 62 21.482 -17.748 -43.816 1.00 0.00 C ATOM 961 C THR A 62 20.527 -17.264 -44.929 1.00 0.00 C ATOM 962 O THR A 62 20.402 -16.057 -45.162 1.00 0.00 O ATOM 963 CB THR A 62 22.969 -17.420 -44.189 1.00 0.00 C ATOM 964 OG1 THR A 62 23.159 -16.004 -44.360 1.00 0.00 O ATOM 965 CG2 THR A 62 23.408 -18.154 -45.464 1.00 0.00 C ATOM 0 H THR A 62 21.380 -19.768 -44.415 1.00 0.00 H new ATOM 0 HA THR A 62 21.222 -17.218 -42.900 1.00 0.00 H new ATOM 0 HB THR A 62 23.587 -17.766 -43.360 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.319 -15.595 -44.657 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.444 -17.902 -45.691 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.321 -19.230 -45.313 1.00 0.00 H new ATOM 0 HG23 THR A 62 22.771 -17.852 -46.295 1.00 0.00 H new ATOM 973 N GLY A 63 19.830 -18.211 -45.594 1.00 0.00 N ATOM 974 CA GLY A 63 18.942 -17.883 -46.723 1.00 0.00 C ATOM 975 C GLY A 63 19.587 -18.034 -48.102 1.00 0.00 C ATOM 976 O GLY A 63 18.879 -17.982 -49.117 1.00 0.00 O ATOM 0 H GLY A 63 19.867 -19.205 -45.367 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.062 -18.525 -46.675 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.594 -16.856 -46.609 1.00 0.00 H new ATOM 980 N GLU A 64 20.925 -18.218 -48.150 1.00 0.00 N ATOM 981 CA GLU A 64 21.648 -18.529 -49.407 1.00 0.00 C ATOM 982 C GLU A 64 21.480 -20.028 -49.714 1.00 0.00 C ATOM 983 O GLU A 64 22.392 -20.841 -49.516 1.00 0.00 O ATOM 984 CB GLU A 64 23.153 -18.122 -49.319 1.00 0.00 C ATOM 985 CG GLU A 64 23.955 -18.337 -50.621 1.00 0.00 C ATOM 986 CD GLU A 64 25.421 -17.893 -50.507 1.00 0.00 C ATOM 987 OE1 GLU A 64 25.759 -16.788 -50.983 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.238 -18.636 -49.921 1.00 0.00 O ATOM 0 H GLU A 64 21.529 -18.157 -47.331 1.00 0.00 H new ATOM 0 HA GLU A 64 21.222 -17.946 -50.223 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.216 -17.070 -49.039 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.624 -18.693 -48.519 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.921 -19.392 -50.891 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.477 -17.786 -51.430 1.00 0.00 H new ATOM 995 N GLU A 65 20.260 -20.381 -50.148 1.00 0.00 N ATOM 996 CA GLU A 65 19.828 -21.777 -50.322 1.00 0.00 C ATOM 997 C GLU A 65 20.550 -22.449 -51.500 1.00 0.00 C ATOM 998 O GLU A 65 21.046 -21.784 -52.419 1.00 0.00 O ATOM 999 CB GLU A 65 18.291 -21.831 -50.518 1.00 0.00 C ATOM 1000 CG GLU A 65 17.786 -21.094 -51.778 1.00 0.00 C ATOM 1001 CD GLU A 65 16.258 -21.145 -51.943 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.568 -20.232 -51.446 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.743 -22.088 -52.583 1.00 0.00 O ATOM 0 H GLU A 65 19.540 -19.700 -50.390 1.00 0.00 H new ATOM 0 HA GLU A 65 20.093 -22.331 -49.421 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.980 -22.874 -50.572 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.809 -21.399 -49.641 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.105 -20.053 -51.733 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.254 -21.533 -52.659 1.00 0.00 H new ATOM 1010 N ILE A 66 20.583 -23.782 -51.459 1.00 0.00 N ATOM 1011 CA ILE A 66 21.330 -24.608 -52.407 1.00 0.00 C ATOM 1012 C ILE A 66 20.353 -25.436 -53.257 1.00 0.00 C ATOM 1013 O ILE A 66 19.598 -26.252 -52.718 1.00 0.00 O ATOM 1014 CB ILE A 66 22.298 -25.555 -51.629 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.304 -24.744 -50.740 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.014 -26.530 -52.573 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.139 -23.701 -51.449 1.00 0.00 C ATOM 0 H ILE A 66 20.084 -24.326 -50.755 1.00 0.00 H new ATOM 0 HA ILE A 66 21.914 -23.964 -53.065 1.00 0.00 H new ATOM 0 HB ILE A 66 21.694 -26.159 -50.952 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.739 -24.250 -49.949 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.979 -25.450 -50.256 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.679 -27.173 -51.996 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.276 -27.143 -53.091 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.596 -25.968 -53.303 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.794 -23.209 -50.730 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.742 -24.180 -52.220 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.484 -22.961 -51.909 1.00 0.00 H new ATOM 1029 N SER A 67 20.408 -25.232 -54.579 1.00 0.00 N ATOM 1030 CA SER A 67 19.508 -25.889 -55.547 1.00 0.00 C ATOM 1031 C SER A 67 20.122 -27.189 -56.108 1.00 0.00 C ATOM 1032 O SER A 67 19.395 -28.087 -56.558 1.00 0.00 O ATOM 1033 CB SER A 67 19.198 -24.899 -56.700 1.00 0.00 C ATOM 1034 OG SER A 67 20.389 -24.477 -57.354 1.00 0.00 O ATOM 0 H SER A 67 21.082 -24.602 -55.015 1.00 0.00 H new ATOM 0 HA SER A 67 18.587 -26.164 -55.033 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.533 -25.374 -57.421 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.671 -24.031 -56.305 1.00 0.00 H new ATOM 0 HG SER A 67 20.859 -23.827 -56.791 1.00 0.00 H new ATOM 1040 N ASN A 68 21.466 -27.283 -56.081 1.00 0.00 N ATOM 1041 CA ASN A 68 22.200 -28.421 -56.671 1.00 0.00 C ATOM 1042 C ASN A 68 23.399 -28.826 -55.798 1.00 0.00 C ATOM 1043 O ASN A 68 23.937 -28.010 -55.052 1.00 0.00 O ATOM 1044 CB ASN A 68 22.665 -28.096 -58.110 1.00 0.00 C ATOM 1045 CG ASN A 68 23.603 -26.897 -58.204 1.00 0.00 C ATOM 1046 OD1 ASN A 68 24.814 -27.030 -58.083 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.047 -25.720 -58.414 1.00 0.00 N ATOM 0 H ASN A 68 22.069 -26.580 -55.654 1.00 0.00 H new ATOM 0 HA ASN A 68 21.513 -29.266 -56.715 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.167 -28.970 -58.525 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.789 -27.908 -58.730 1.00 0.00 H new ATOM 0 HD21 ASN A 68 23.630 -24.885 -58.480 1.00 0.00 H new ATOM 0 HD22 ASN A 68 22.034 -25.644 -58.510 1.00 0.00 H new ATOM 1054 N ARG A 69 23.841 -30.081 -55.967 1.00 0.00 N ATOM 1055 CA ARG A 69 24.887 -30.722 -55.136 1.00 0.00 C ATOM 1056 C ARG A 69 26.262 -30.008 -55.253 1.00 0.00 C ATOM 1057 O ARG A 69 27.070 -30.036 -54.313 1.00 0.00 O ATOM 1058 CB ARG A 69 24.995 -32.215 -55.542 1.00 0.00 C ATOM 1059 CG ARG A 69 25.827 -33.085 -54.581 1.00 0.00 C ATOM 1060 CD ARG A 69 25.872 -34.562 -54.992 1.00 0.00 C ATOM 1061 NE ARG A 69 26.523 -35.406 -53.976 1.00 0.00 N ATOM 1062 CZ ARG A 69 26.625 -36.744 -54.041 1.00 0.00 C ATOM 1063 NH1 ARG A 69 26.150 -37.424 -55.077 1.00 0.00 N ATOM 1064 NH2 ARG A 69 27.219 -37.394 -53.059 1.00 0.00 N ATOM 0 H ARG A 69 23.479 -30.695 -56.696 1.00 0.00 H new ATOM 0 HA ARG A 69 24.597 -30.640 -54.089 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.990 -32.632 -55.611 1.00 0.00 H new ATOM 0 HB3 ARG A 69 25.434 -32.276 -56.538 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.844 -32.695 -54.536 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.411 -33.006 -53.577 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.857 -34.920 -55.162 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.407 -34.658 -55.937 1.00 0.00 H new ATOM 0 HE ARG A 69 26.926 -34.940 -53.163 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.696 -36.931 -55.846 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.239 -38.440 -55.104 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.595 -36.881 -52.262 1.00 0.00 H new ATOM 0 HH22 ARG A 69 27.303 -38.410 -53.097 1.00 0.00 H new ATOM 1078 N LYS A 70 26.503 -29.355 -56.407 1.00 0.00 N ATOM 1079 CA LYS A 70 27.730 -28.561 -56.652 1.00 0.00 C ATOM 1080 C LYS A 70 27.751 -27.349 -55.700 1.00 0.00 C ATOM 1081 O LYS A 70 28.750 -27.109 -55.006 1.00 0.00 O ATOM 1082 CB LYS A 70 27.793 -28.099 -58.147 1.00 0.00 C ATOM 1083 CG LYS A 70 29.212 -27.760 -58.695 1.00 0.00 C ATOM 1084 CD LYS A 70 29.846 -26.472 -58.099 1.00 0.00 C ATOM 1085 CE LYS A 70 31.286 -26.224 -58.592 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.204 -27.342 -58.220 1.00 0.00 N ATOM 0 H LYS A 70 25.856 -29.361 -57.196 1.00 0.00 H new ATOM 0 HA LYS A 70 28.607 -29.179 -56.458 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.363 -28.884 -58.768 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.160 -27.219 -58.262 1.00 0.00 H new ATOM 0 HG2 LYS A 70 29.875 -28.602 -58.494 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.152 -27.652 -59.778 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.226 -25.614 -58.360 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.848 -26.545 -57.011 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.283 -26.103 -59.675 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.659 -25.292 -58.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.188 -27.058 -58.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.088 -27.565 -57.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.976 -28.182 -58.789 1.00 0.00 H new ATOM 1100 N GLN A 71 26.618 -26.607 -55.678 1.00 0.00 N ATOM 1101 CA GLN A 71 26.429 -25.409 -54.824 1.00 0.00 C ATOM 1102 C GLN A 71 26.667 -25.730 -53.340 1.00 0.00 C ATOM 1103 O GLN A 71 27.130 -24.872 -52.590 1.00 0.00 O ATOM 1104 CB GLN A 71 25.016 -24.789 -55.027 1.00 0.00 C ATOM 1105 CG GLN A 71 24.897 -23.794 -56.191 1.00 0.00 C ATOM 1106 CD GLN A 71 23.466 -23.293 -56.419 1.00 0.00 C ATOM 1107 OE1 GLN A 71 22.640 -23.269 -55.503 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.172 -22.855 -57.637 1.00 0.00 N ATOM 0 H GLN A 71 25.805 -26.824 -56.255 1.00 0.00 H new ATOM 0 HA GLN A 71 27.173 -24.674 -55.132 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.302 -25.597 -55.187 1.00 0.00 H new ATOM 0 HB3 GLN A 71 24.724 -24.283 -54.107 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.547 -22.940 -55.998 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.258 -24.269 -57.104 1.00 0.00 H new ATOM 0 HE21 GLN A 71 23.876 -22.887 -58.374 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.242 -22.486 -57.836 1.00 0.00 H new ATOM 1117 N LEU A 72 26.356 -26.976 -52.943 1.00 0.00 N ATOM 1118 CA LEU A 72 26.549 -27.449 -51.562 1.00 0.00 C ATOM 1119 C LEU A 72 28.062 -27.460 -51.219 1.00 0.00 C ATOM 1120 O LEU A 72 28.469 -26.874 -50.218 1.00 0.00 O ATOM 1121 CB LEU A 72 25.911 -28.866 -51.375 1.00 0.00 C ATOM 1122 CG LEU A 72 25.330 -29.223 -49.962 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.364 -29.095 -48.841 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.080 -28.389 -49.649 1.00 0.00 C ATOM 0 H LEU A 72 25.965 -27.681 -53.568 1.00 0.00 H new ATOM 0 HA LEU A 72 26.047 -26.769 -50.874 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.108 -28.971 -52.104 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.667 -29.610 -51.624 1.00 0.00 H new ATOM 0 HG LEU A 72 25.045 -30.274 -50.006 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.902 -29.355 -47.889 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.198 -29.770 -49.036 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.730 -28.069 -48.799 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.700 -28.659 -48.664 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.337 -27.330 -49.662 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.314 -28.586 -50.399 1.00 0.00 H new ATOM 1136 N GLU A 73 28.878 -28.104 -52.085 1.00 0.00 N ATOM 1137 CA GLU A 73 30.340 -28.233 -51.869 1.00 0.00 C ATOM 1138 C GLU A 73 31.021 -26.858 -51.789 1.00 0.00 C ATOM 1139 O GLU A 73 31.778 -26.582 -50.846 1.00 0.00 O ATOM 1140 CB GLU A 73 31.003 -29.046 -53.005 1.00 0.00 C ATOM 1141 CG GLU A 73 30.506 -30.485 -53.164 1.00 0.00 C ATOM 1142 CD GLU A 73 31.359 -31.286 -54.155 1.00 0.00 C ATOM 1143 OE1 GLU A 73 32.110 -32.188 -53.728 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.310 -30.990 -55.369 1.00 0.00 O ATOM 0 H GLU A 73 28.548 -28.544 -52.944 1.00 0.00 H new ATOM 0 HA GLU A 73 30.470 -28.755 -50.921 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.843 -28.519 -53.946 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.079 -29.069 -52.831 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.518 -30.981 -52.193 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.470 -30.475 -53.504 1.00 0.00 H new ATOM 1151 N GLN A 74 30.732 -26.006 -52.786 1.00 0.00 N ATOM 1152 CA GLN A 74 31.346 -24.679 -52.894 1.00 0.00 C ATOM 1153 C GLN A 74 30.890 -23.753 -51.747 1.00 0.00 C ATOM 1154 O GLN A 74 31.622 -22.839 -51.359 1.00 0.00 O ATOM 1155 CB GLN A 74 31.110 -24.074 -54.312 1.00 0.00 C ATOM 1156 CG GLN A 74 29.639 -23.824 -54.738 1.00 0.00 C ATOM 1157 CD GLN A 74 29.095 -22.435 -54.393 1.00 0.00 C ATOM 1158 OE1 GLN A 74 28.504 -22.219 -53.335 1.00 0.00 O ATOM 1159 NE2 GLN A 74 29.330 -21.473 -55.276 1.00 0.00 N ATOM 0 H GLN A 74 30.071 -26.218 -53.533 1.00 0.00 H new ATOM 0 HA GLN A 74 32.425 -24.782 -52.779 1.00 0.00 H new ATOM 0 HB2 GLN A 74 31.644 -23.126 -54.368 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.566 -24.741 -55.044 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.558 -23.973 -55.815 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.006 -24.574 -54.264 1.00 0.00 H new ATOM 0 HE21 GLN A 74 29.823 -21.686 -56.143 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.018 -20.520 -55.087 1.00 0.00 H new ATOM 1168 N TYR A 75 29.694 -24.029 -51.182 1.00 0.00 N ATOM 1169 CA TYR A 75 29.211 -23.347 -49.970 1.00 0.00 C ATOM 1170 C TYR A 75 30.115 -23.715 -48.777 1.00 0.00 C ATOM 1171 O TYR A 75 30.581 -22.834 -48.065 1.00 0.00 O ATOM 1172 CB TYR A 75 27.732 -23.726 -49.673 1.00 0.00 C ATOM 1173 CG TYR A 75 27.057 -22.924 -48.546 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.133 -21.914 -48.826 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.339 -23.178 -47.198 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.522 -21.204 -47.813 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.732 -22.467 -46.190 1.00 0.00 C ATOM 1178 CZ TYR A 75 25.829 -21.484 -46.499 1.00 0.00 C ATOM 1179 OH TYR A 75 25.222 -20.779 -45.490 1.00 0.00 O ATOM 0 H TYR A 75 29.045 -24.724 -51.552 1.00 0.00 H new ATOM 0 HA TYR A 75 29.252 -22.270 -50.131 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.151 -23.596 -50.586 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.691 -24.785 -49.417 1.00 0.00 H new ATOM 0 HD1 TYR A 75 25.893 -21.685 -49.854 1.00 0.00 H new ATOM 0 HD2 TYR A 75 28.050 -23.950 -46.944 1.00 0.00 H new ATOM 0 HE1 TYR A 75 24.805 -20.431 -48.049 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.966 -22.683 -45.158 1.00 0.00 H new ATOM 0 HH TYR A 75 25.548 -21.101 -44.624 1.00 0.00 H new ATOM 1189 N LEU A 76 30.364 -25.026 -48.591 1.00 0.00 N ATOM 1190 CA LEU A 76 31.071 -25.555 -47.402 1.00 0.00 C ATOM 1191 C LEU A 76 32.547 -25.106 -47.347 1.00 0.00 C ATOM 1192 O LEU A 76 33.062 -24.787 -46.272 1.00 0.00 O ATOM 1193 CB LEU A 76 30.972 -27.101 -47.354 1.00 0.00 C ATOM 1194 CG LEU A 76 29.530 -27.694 -47.304 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.565 -29.227 -47.218 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.690 -27.081 -46.164 1.00 0.00 C ATOM 0 H LEU A 76 30.083 -25.747 -49.256 1.00 0.00 H new ATOM 0 HA LEU A 76 30.577 -25.138 -46.524 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.479 -27.505 -48.230 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.518 -27.453 -46.479 1.00 0.00 H new ATOM 0 HG LEU A 76 29.037 -27.424 -48.238 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.546 -29.613 -47.185 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.077 -29.629 -48.093 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.097 -29.529 -46.316 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.694 -27.523 -46.168 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.173 -27.282 -45.208 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.609 -26.004 -46.310 1.00 0.00 H new ATOM 1208 N LYS A 77 33.219 -25.078 -48.514 1.00 0.00 N ATOM 1209 CA LYS A 77 34.627 -24.628 -48.611 1.00 0.00 C ATOM 1210 C LYS A 77 34.727 -23.097 -48.422 1.00 0.00 C ATOM 1211 O LYS A 77 35.780 -22.574 -48.056 1.00 0.00 O ATOM 1212 CB LYS A 77 35.265 -25.110 -49.956 1.00 0.00 C ATOM 1213 CG LYS A 77 34.634 -24.550 -51.261 1.00 0.00 C ATOM 1214 CD LYS A 77 35.210 -23.180 -51.697 1.00 0.00 C ATOM 1215 CE LYS A 77 34.531 -22.609 -52.946 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.122 -21.307 -53.356 1.00 0.00 N ATOM 0 H LYS A 77 32.812 -25.361 -49.405 1.00 0.00 H new ATOM 0 HA LYS A 77 35.201 -25.083 -47.804 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.322 -24.845 -49.947 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.210 -26.198 -49.990 1.00 0.00 H new ATOM 0 HG2 LYS A 77 34.786 -25.270 -52.065 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.558 -24.453 -51.120 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.103 -22.470 -50.877 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.278 -23.287 -51.889 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.621 -23.322 -53.766 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.466 -22.479 -52.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.634 -20.956 -54.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.014 -20.618 -52.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.132 -21.435 -53.566 1.00 0.00 H new ATOM 1230 N SER A 78 33.616 -22.386 -48.712 1.00 0.00 N ATOM 1231 CA SER A 78 33.504 -20.927 -48.498 1.00 0.00 C ATOM 1232 C SER A 78 33.079 -20.608 -47.048 1.00 0.00 C ATOM 1233 O SER A 78 33.403 -19.541 -46.514 1.00 0.00 O ATOM 1234 CB SER A 78 32.479 -20.344 -49.503 1.00 0.00 C ATOM 1235 OG SER A 78 32.288 -18.946 -49.331 1.00 0.00 O ATOM 0 H SER A 78 32.772 -22.807 -49.101 1.00 0.00 H new ATOM 0 HA SER A 78 34.480 -20.470 -48.663 1.00 0.00 H new ATOM 0 HB2 SER A 78 32.820 -20.539 -50.520 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.524 -20.856 -49.383 1.00 0.00 H new ATOM 0 HG SER A 78 31.635 -18.622 -49.986 1.00 0.00 H new ATOM 1241 N HIS A 79 32.353 -21.551 -46.425 1.00 0.00 N ATOM 1242 CA HIS A 79 31.724 -21.360 -45.105 1.00 0.00 C ATOM 1243 C HIS A 79 32.030 -22.576 -44.208 1.00 0.00 C ATOM 1244 O HIS A 79 31.265 -23.554 -44.213 1.00 0.00 O ATOM 1245 CB HIS A 79 30.185 -21.177 -45.253 1.00 0.00 C ATOM 1246 CG HIS A 79 29.779 -20.062 -46.170 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.451 -20.265 -47.494 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.661 -18.733 -45.956 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.164 -19.112 -48.054 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.279 -18.168 -47.144 1.00 0.00 N ATOM 0 H HIS A 79 32.184 -22.474 -46.825 1.00 0.00 H new ATOM 0 HA HIS A 79 32.133 -20.460 -44.646 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.754 -22.108 -45.621 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.757 -20.995 -44.267 1.00 0.00 H new ATOM 0 HD1 HIS A 79 29.434 -21.170 -47.965 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.835 -18.214 -45.025 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.882 -18.964 -49.086 1.00 0.00 H new ATOM 1259 N PRO A 80 33.177 -22.561 -43.453 1.00 0.00 N ATOM 1260 CA PRO A 80 33.525 -23.653 -42.512 1.00 0.00 C ATOM 1261 C PRO A 80 32.585 -23.661 -41.289 1.00 0.00 C ATOM 1262 O PRO A 80 31.922 -22.655 -40.999 1.00 0.00 O ATOM 1263 CB PRO A 80 34.992 -23.337 -42.127 1.00 0.00 C ATOM 1264 CG PRO A 80 35.121 -21.852 -42.295 1.00 0.00 C ATOM 1265 CD PRO A 80 34.207 -21.479 -43.447 1.00 0.00 C ATOM 0 HA PRO A 80 33.416 -24.647 -42.945 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.206 -23.639 -41.102 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.693 -23.870 -42.769 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.832 -21.330 -41.383 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.152 -21.572 -42.509 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.755 -20.498 -43.297 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.750 -21.439 -44.391 1.00 0.00 H new ATOM 1273 N GLY A 81 32.518 -24.804 -40.590 1.00 0.00 N ATOM 1274 CA GLY A 81 31.612 -24.970 -39.446 1.00 0.00 C ATOM 1275 C GLY A 81 30.289 -25.633 -39.842 1.00 0.00 C ATOM 1276 O GLY A 81 29.702 -26.374 -39.044 1.00 0.00 O ATOM 0 H GLY A 81 33.082 -25.628 -40.798 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.103 -25.572 -38.681 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.409 -23.995 -39.002 1.00 0.00 H new ATOM 1280 N ASN A 82 29.827 -25.361 -41.082 1.00 0.00 N ATOM 1281 CA ASN A 82 28.611 -25.968 -41.650 1.00 0.00 C ATOM 1282 C ASN A 82 28.798 -27.496 -41.839 1.00 0.00 C ATOM 1283 O ASN A 82 29.901 -27.939 -42.182 1.00 0.00 O ATOM 1284 CB ASN A 82 28.257 -25.291 -43.011 1.00 0.00 C ATOM 1285 CG ASN A 82 27.744 -23.857 -42.855 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.537 -23.620 -42.771 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.656 -22.892 -42.809 1.00 0.00 N ATOM 0 H ASN A 82 30.291 -24.711 -41.717 1.00 0.00 H new ATOM 0 HA ASN A 82 27.788 -25.808 -40.954 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.141 -25.286 -43.648 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.500 -25.888 -43.520 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.365 -21.920 -42.701 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.647 -23.123 -42.881 1.00 0.00 H new ATOM 1294 N PRO A 83 27.716 -28.314 -41.614 1.00 0.00 N ATOM 1295 CA PRO A 83 27.759 -29.798 -41.737 1.00 0.00 C ATOM 1296 C PRO A 83 28.289 -30.290 -43.102 1.00 0.00 C ATOM 1297 O PRO A 83 28.218 -29.568 -44.100 1.00 0.00 O ATOM 1298 CB PRO A 83 26.284 -30.229 -41.539 1.00 0.00 C ATOM 1299 CG PRO A 83 25.644 -29.103 -40.794 1.00 0.00 C ATOM 1300 CD PRO A 83 26.369 -27.845 -41.218 1.00 0.00 C ATOM 0 HA PRO A 83 28.447 -30.229 -41.010 1.00 0.00 H new ATOM 0 HB2 PRO A 83 25.791 -30.398 -42.496 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.218 -31.161 -40.977 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.581 -29.037 -41.028 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.725 -29.254 -39.718 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.860 -27.353 -42.047 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.423 -27.123 -40.403 1.00 0.00 H new ATOM 1308 N ALA A 84 28.794 -31.532 -43.114 1.00 0.00 N ATOM 1309 CA ALA A 84 29.396 -32.167 -44.304 1.00 0.00 C ATOM 1310 C ALA A 84 28.334 -32.463 -45.382 1.00 0.00 C ATOM 1311 O ALA A 84 27.167 -32.663 -45.062 1.00 0.00 O ATOM 1312 CB ALA A 84 30.113 -33.460 -43.881 1.00 0.00 C ATOM 0 H ALA A 84 28.798 -32.134 -42.290 1.00 0.00 H new ATOM 0 HA ALA A 84 30.118 -31.477 -44.741 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.559 -33.932 -44.757 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.894 -33.223 -43.159 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.395 -34.143 -43.427 1.00 0.00 H new ATOM 1318 N ILE A 85 28.748 -32.490 -46.661 1.00 0.00 N ATOM 1319 CA ILE A 85 27.846 -32.868 -47.775 1.00 0.00 C ATOM 1320 C ILE A 85 27.618 -34.398 -47.785 1.00 0.00 C ATOM 1321 O ILE A 85 26.608 -34.884 -48.311 1.00 0.00 O ATOM 1322 CB ILE A 85 28.384 -32.359 -49.171 1.00 0.00 C ATOM 1323 CG1 ILE A 85 27.340 -32.630 -50.304 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.771 -32.953 -49.512 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.752 -32.153 -51.678 1.00 0.00 C ATOM 0 H ILE A 85 29.697 -32.256 -46.953 1.00 0.00 H new ATOM 0 HA ILE A 85 26.888 -32.375 -47.610 1.00 0.00 H new ATOM 0 HB ILE A 85 28.520 -31.280 -49.096 1.00 0.00 H new ATOM 0 HG12 ILE A 85 27.146 -33.702 -50.351 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.400 -32.148 -50.035 1.00 0.00 H new ATOM 0 HG21 ILE A 85 30.101 -32.575 -50.480 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.490 -32.663 -48.745 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.702 -34.040 -49.551 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.965 -32.385 -52.395 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.916 -31.076 -51.655 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.673 -32.654 -51.976 1.00 0.00 H new ATOM 1337 N ALA A 86 28.552 -35.139 -47.158 1.00 0.00 N ATOM 1338 CA ALA A 86 28.493 -36.610 -47.021 1.00 0.00 C ATOM 1339 C ALA A 86 27.217 -37.074 -46.282 1.00 0.00 C ATOM 1340 O ALA A 86 26.598 -38.078 -46.655 1.00 0.00 O ATOM 1341 CB ALA A 86 29.748 -37.102 -46.282 1.00 0.00 C ATOM 0 H ALA A 86 29.380 -34.729 -46.726 1.00 0.00 H new ATOM 0 HA ALA A 86 28.457 -37.043 -48.021 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.708 -38.186 -46.179 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.637 -36.824 -46.849 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.791 -36.645 -45.293 1.00 0.00 H new ATOM 1347 N GLU A 87 26.836 -36.321 -45.232 1.00 0.00 N ATOM 1348 CA GLU A 87 25.634 -36.609 -44.412 1.00 0.00 C ATOM 1349 C GLU A 87 24.353 -36.013 -45.049 1.00 0.00 C ATOM 1350 O GLU A 87 23.237 -36.266 -44.567 1.00 0.00 O ATOM 1351 CB GLU A 87 25.840 -36.063 -42.973 1.00 0.00 C ATOM 1352 CG GLU A 87 26.095 -34.549 -42.911 1.00 0.00 C ATOM 1353 CD GLU A 87 26.437 -34.032 -41.508 1.00 0.00 C ATOM 1354 OE1 GLU A 87 27.642 -33.893 -41.186 1.00 0.00 O ATOM 1355 OE2 GLU A 87 25.509 -33.758 -40.716 1.00 0.00 O ATOM 0 H GLU A 87 27.350 -35.495 -44.925 1.00 0.00 H new ATOM 0 HA GLU A 87 25.499 -37.690 -44.369 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.958 -36.298 -42.376 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.682 -36.582 -42.515 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.912 -34.300 -43.588 1.00 0.00 H new ATOM 0 HG3 GLU A 87 25.210 -34.026 -43.274 1.00 0.00 H new ATOM 1362 N PHE A 88 24.528 -35.192 -46.105 1.00 0.00 N ATOM 1363 CA PHE A 88 23.411 -34.587 -46.856 1.00 0.00 C ATOM 1364 C PHE A 88 22.907 -35.572 -47.921 1.00 0.00 C ATOM 1365 O PHE A 88 23.610 -35.904 -48.882 1.00 0.00 O ATOM 1366 CB PHE A 88 23.831 -33.225 -47.481 1.00 0.00 C ATOM 1367 CG PHE A 88 23.943 -32.064 -46.490 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.848 -30.754 -46.928 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.130 -32.277 -45.126 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.942 -29.697 -46.051 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.227 -31.221 -44.252 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.131 -29.929 -44.714 1.00 0.00 C ATOM 0 H PHE A 88 25.448 -34.931 -46.460 1.00 0.00 H new ATOM 0 HA PHE A 88 22.591 -34.380 -46.168 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.793 -33.352 -47.978 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.107 -32.957 -48.251 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.697 -30.557 -47.979 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.200 -33.287 -44.750 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.867 -28.684 -46.417 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.379 -31.406 -43.199 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.204 -29.100 -44.025 1.00 0.00 H new ATOM 1382 N ASP A 89 21.676 -36.036 -47.705 1.00 0.00 N ATOM 1383 CA ASP A 89 21.049 -37.117 -48.468 1.00 0.00 C ATOM 1384 C ASP A 89 20.220 -36.561 -49.645 1.00 0.00 C ATOM 1385 O ASP A 89 19.028 -36.255 -49.523 1.00 0.00 O ATOM 1386 CB ASP A 89 20.193 -38.008 -47.502 1.00 0.00 C ATOM 1387 CG ASP A 89 19.042 -37.273 -46.768 1.00 0.00 C ATOM 1388 OD1 ASP A 89 19.252 -36.146 -46.259 1.00 0.00 O ATOM 1389 OD2 ASP A 89 17.919 -37.816 -46.683 1.00 0.00 O ATOM 0 H ASP A 89 21.071 -35.661 -46.975 1.00 0.00 H new ATOM 0 HA ASP A 89 21.823 -37.744 -48.911 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.768 -38.832 -48.075 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.856 -38.447 -46.756 1.00 0.00 H new ATOM 1394 N TRP A 90 20.893 -36.385 -50.791 1.00 0.00 N ATOM 1395 CA TRP A 90 20.246 -35.996 -52.070 1.00 0.00 C ATOM 1396 C TRP A 90 19.515 -37.208 -52.699 1.00 0.00 C ATOM 1397 O TRP A 90 18.578 -37.053 -53.482 1.00 0.00 O ATOM 1398 CB TRP A 90 21.313 -35.430 -53.046 1.00 0.00 C ATOM 1399 CG TRP A 90 22.049 -34.216 -52.512 1.00 0.00 C ATOM 1400 CD1 TRP A 90 23.145 -34.209 -51.689 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.735 -32.835 -52.761 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.532 -32.924 -51.425 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.680 -32.063 -52.069 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.747 -32.180 -53.501 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.668 -30.674 -52.099 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.737 -30.796 -53.524 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.691 -30.058 -52.827 1.00 0.00 C ATOM 0 H TRP A 90 21.903 -36.506 -50.866 1.00 0.00 H new ATOM 0 HA TRP A 90 19.505 -35.222 -51.872 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.038 -36.213 -53.271 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.828 -35.165 -53.986 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.633 -35.092 -51.304 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.325 -32.651 -50.844 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.004 -32.744 -54.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.409 -30.099 -51.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 19.977 -30.280 -54.092 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.657 -28.979 -52.863 1.00 0.00 H new ATOM 1418 N THR A 91 19.953 -38.410 -52.286 1.00 0.00 N ATOM 1419 CA THR A 91 19.443 -39.722 -52.751 1.00 0.00 C ATOM 1420 C THR A 91 18.203 -40.183 -51.931 1.00 0.00 C ATOM 1421 O THR A 91 17.791 -41.345 -52.018 1.00 0.00 O ATOM 1422 CB THR A 91 20.606 -40.786 -52.673 1.00 0.00 C ATOM 1423 OG1 THR A 91 20.187 -42.055 -53.210 1.00 0.00 O ATOM 1424 CG2 THR A 91 21.120 -40.987 -51.231 1.00 0.00 C ATOM 0 H THR A 91 20.698 -38.504 -51.595 1.00 0.00 H new ATOM 0 HA THR A 91 19.113 -39.623 -53.785 1.00 0.00 H new ATOM 0 HB THR A 91 21.424 -40.389 -53.275 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.223 -42.166 -53.074 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.919 -41.728 -51.230 1.00 0.00 H new ATOM 0 HG22 THR A 91 21.501 -40.041 -50.846 1.00 0.00 H new ATOM 0 HG23 THR A 91 20.303 -41.333 -50.598 1.00 0.00 H new