USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 ASN : amide:sc= -1.16 K(o=-1.4,f=-4.7!) USER MOD Set 1.3: A 71 GLN : amide:sc= -0.278 K(o=-1.4,f=-2.8) USER MOD Single : A 30 SER OG : rot 34:sc= 0.00425 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -23:sc= 0.0711 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -128:sc= -3.53! (180deg=-6.74!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -29:sc= 0.183 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0301 (180deg=-0.373) USER MOD Single : A 74 GLN : amide:sc= -0.287 K(o=-0.29,f=-1) USER MOD Single : A 75 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -34:sc= 0.15 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 82 ASN :FLIP amide:sc= -1.59 F(o=-2.1,f=-1.6) USER MOD Single : A 91 THR OG1 : rot -23:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.873 -26.911 -55.643 1.00 0.00 N ATOM 430 CA VAL A 29 4.043 -28.304 -55.185 1.00 0.00 C ATOM 431 C VAL A 29 5.504 -28.537 -54.720 1.00 0.00 C ATOM 432 O VAL A 29 6.440 -28.551 -55.522 1.00 0.00 O ATOM 433 CB VAL A 29 3.610 -29.352 -56.299 1.00 0.00 C ATOM 434 CG1 VAL A 29 2.080 -29.308 -56.529 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.361 -29.137 -57.642 1.00 0.00 C ATOM 0 HA VAL A 29 3.380 -28.464 -54.335 1.00 0.00 H new ATOM 0 HB VAL A 29 3.888 -30.338 -55.926 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.806 -30.033 -57.295 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.565 -29.551 -55.599 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.790 -28.309 -56.855 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.028 -29.879 -58.368 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.149 -28.137 -58.021 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.434 -29.244 -57.480 1.00 0.00 H new ATOM 445 N SER A 30 5.675 -28.683 -53.399 1.00 0.00 N ATOM 446 CA SER A 30 6.987 -28.830 -52.746 1.00 0.00 C ATOM 447 C SER A 30 6.799 -29.464 -51.357 1.00 0.00 C ATOM 448 O SER A 30 5.974 -29.001 -50.565 1.00 0.00 O ATOM 449 CB SER A 30 7.697 -27.451 -52.645 1.00 0.00 C ATOM 450 OG SER A 30 6.813 -26.451 -52.161 1.00 0.00 O ATOM 0 H SER A 30 4.895 -28.703 -52.742 1.00 0.00 H new ATOM 0 HA SER A 30 7.621 -29.485 -53.344 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.558 -27.530 -51.982 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.076 -27.162 -53.625 1.00 0.00 H new ATOM 0 HG SER A 30 6.194 -26.847 -51.513 1.00 0.00 H new ATOM 456 N VAL A 31 7.534 -30.554 -51.092 1.00 0.00 N ATOM 457 CA VAL A 31 7.492 -31.282 -49.811 1.00 0.00 C ATOM 458 C VAL A 31 8.879 -31.222 -49.162 1.00 0.00 C ATOM 459 O VAL A 31 9.885 -31.536 -49.807 1.00 0.00 O ATOM 460 CB VAL A 31 7.044 -32.784 -50.019 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.034 -33.580 -48.688 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.662 -32.868 -50.731 1.00 0.00 C ATOM 0 H VAL A 31 8.182 -30.961 -51.767 1.00 0.00 H new ATOM 0 HA VAL A 31 6.757 -30.811 -49.159 1.00 0.00 H new ATOM 0 HB VAL A 31 7.787 -33.250 -50.667 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.720 -34.606 -48.880 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.035 -33.581 -48.257 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.340 -33.113 -47.990 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.382 -33.914 -50.859 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.910 -32.362 -50.126 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.726 -32.387 -51.707 1.00 0.00 H new ATOM 472 N GLU A 32 8.929 -30.786 -47.892 1.00 0.00 N ATOM 473 CA GLU A 32 10.182 -30.681 -47.134 1.00 0.00 C ATOM 474 C GLU A 32 10.495 -32.016 -46.440 1.00 0.00 C ATOM 475 O GLU A 32 9.748 -32.476 -45.572 1.00 0.00 O ATOM 476 CB GLU A 32 10.152 -29.510 -46.124 1.00 0.00 C ATOM 477 CG GLU A 32 10.106 -28.112 -46.774 1.00 0.00 C ATOM 478 CD GLU A 32 8.714 -27.704 -47.298 1.00 0.00 C ATOM 479 OE1 GLU A 32 8.441 -27.867 -48.510 1.00 0.00 O ATOM 480 OE2 GLU A 32 7.880 -27.230 -46.488 1.00 0.00 O ATOM 0 H GLU A 32 8.104 -30.498 -47.366 1.00 0.00 H new ATOM 0 HA GLU A 32 10.984 -30.462 -47.839 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.282 -29.626 -45.477 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.034 -29.573 -45.487 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.438 -27.373 -46.044 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.816 -28.085 -47.601 1.00 0.00 H new ATOM 487 N LEU A 33 11.620 -32.608 -46.844 1.00 0.00 N ATOM 488 CA LEU A 33 12.043 -33.982 -46.450 1.00 0.00 C ATOM 489 C LEU A 33 13.002 -33.923 -45.222 1.00 0.00 C ATOM 490 O LEU A 33 13.410 -32.815 -44.839 1.00 0.00 O ATOM 491 CB LEU A 33 12.711 -34.682 -47.692 1.00 0.00 C ATOM 492 CG LEU A 33 11.771 -35.421 -48.702 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.272 -36.761 -48.142 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.595 -34.548 -49.122 1.00 0.00 C ATOM 0 H LEU A 33 12.286 -32.150 -47.466 1.00 0.00 H new ATOM 0 HA LEU A 33 11.178 -34.572 -46.146 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.268 -33.925 -48.244 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.437 -35.404 -47.320 1.00 0.00 H new ATOM 0 HG LEU A 33 12.370 -35.629 -49.588 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.623 -37.242 -48.874 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.124 -37.408 -47.932 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.714 -36.586 -47.222 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.966 -35.097 -49.823 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.009 -34.279 -48.243 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.967 -33.642 -49.601 1.00 0.00 H new ATOM 506 N PRO A 34 13.344 -35.101 -44.554 1.00 0.00 N ATOM 507 CA PRO A 34 14.315 -35.146 -43.425 1.00 0.00 C ATOM 508 C PRO A 34 15.651 -34.449 -43.750 1.00 0.00 C ATOM 509 O PRO A 34 16.214 -34.635 -44.839 1.00 0.00 O ATOM 510 CB PRO A 34 14.513 -36.669 -43.144 1.00 0.00 C ATOM 511 CG PRO A 34 13.923 -37.356 -44.337 1.00 0.00 C ATOM 512 CD PRO A 34 12.792 -36.461 -44.785 1.00 0.00 C ATOM 0 HA PRO A 34 13.939 -34.604 -42.557 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.568 -36.916 -43.027 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.011 -36.971 -42.225 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.664 -37.481 -45.127 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.560 -38.351 -44.080 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.538 -36.623 -45.833 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.885 -36.634 -44.206 1.00 0.00 H new ATOM 520 N ALA A 35 16.153 -33.678 -42.778 1.00 0.00 N ATOM 521 CA ALA A 35 17.215 -32.687 -42.992 1.00 0.00 C ATOM 522 C ALA A 35 18.360 -32.820 -41.965 1.00 0.00 C ATOM 523 O ALA A 35 18.159 -33.383 -40.879 1.00 0.00 O ATOM 524 CB ALA A 35 16.603 -31.275 -42.895 1.00 0.00 C ATOM 0 H ALA A 35 15.830 -33.725 -41.811 1.00 0.00 H new ATOM 0 HA ALA A 35 17.643 -32.862 -43.979 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.382 -30.529 -43.052 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.831 -31.160 -43.656 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.162 -31.137 -41.908 1.00 0.00 H new ATOM 530 N PRO A 36 19.588 -32.317 -42.325 1.00 0.00 N ATOM 531 CA PRO A 36 20.628 -31.921 -41.343 1.00 0.00 C ATOM 532 C PRO A 36 20.064 -30.902 -40.328 1.00 0.00 C ATOM 533 O PRO A 36 19.345 -29.989 -40.723 1.00 0.00 O ATOM 534 CB PRO A 36 21.732 -31.271 -42.227 1.00 0.00 C ATOM 535 CG PRO A 36 21.555 -31.917 -43.562 1.00 0.00 C ATOM 536 CD PRO A 36 20.069 -32.144 -43.719 1.00 0.00 C ATOM 0 HA PRO A 36 20.997 -32.759 -40.751 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.609 -30.190 -42.288 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.727 -31.457 -41.823 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.939 -31.279 -44.358 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.102 -32.858 -43.616 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.585 -31.298 -44.207 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.861 -33.025 -44.326 1.00 0.00 H new ATOM 544 N SER A 37 20.407 -31.067 -39.042 1.00 0.00 N ATOM 545 CA SER A 37 19.871 -30.244 -37.938 1.00 0.00 C ATOM 546 C SER A 37 20.260 -28.749 -38.065 1.00 0.00 C ATOM 547 O SER A 37 19.527 -27.867 -37.606 1.00 0.00 O ATOM 548 CB SER A 37 20.361 -30.828 -36.595 1.00 0.00 C ATOM 549 OG SER A 37 21.778 -30.925 -36.559 1.00 0.00 O ATOM 0 H SER A 37 21.068 -31.779 -38.732 1.00 0.00 H new ATOM 0 HA SER A 37 18.783 -30.278 -37.985 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.017 -30.198 -35.775 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.923 -31.815 -36.444 1.00 0.00 H new ATOM 0 HG SER A 37 22.059 -31.296 -35.697 1.00 0.00 H new ATOM 555 N SER A 38 21.416 -28.482 -38.695 1.00 0.00 N ATOM 556 CA SER A 38 21.926 -27.110 -38.913 1.00 0.00 C ATOM 557 C SER A 38 21.331 -26.473 -40.192 1.00 0.00 C ATOM 558 O SER A 38 21.436 -25.252 -40.400 1.00 0.00 O ATOM 559 CB SER A 38 23.472 -27.139 -38.980 1.00 0.00 C ATOM 560 OG SER A 38 24.027 -25.837 -39.126 1.00 0.00 O ATOM 0 H SER A 38 22.026 -29.209 -39.069 1.00 0.00 H new ATOM 0 HA SER A 38 21.612 -26.489 -38.074 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.865 -27.600 -38.074 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.786 -27.762 -39.817 1.00 0.00 H new ATOM 0 HG SER A 38 23.357 -25.238 -39.516 1.00 0.00 H new ATOM 566 N TRP A 39 20.713 -27.307 -41.045 1.00 0.00 N ATOM 567 CA TRP A 39 20.107 -26.881 -42.330 1.00 0.00 C ATOM 568 C TRP A 39 18.613 -27.262 -42.366 1.00 0.00 C ATOM 569 O TRP A 39 18.022 -27.615 -41.341 1.00 0.00 O ATOM 570 CB TRP A 39 20.858 -27.545 -43.526 1.00 0.00 C ATOM 571 CG TRP A 39 22.200 -26.947 -43.864 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.288 -26.798 -43.049 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.597 -26.448 -45.145 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.326 -26.237 -43.746 1.00 0.00 N ATOM 575 CE2 TRP A 39 23.928 -26.023 -45.035 1.00 0.00 C ATOM 576 CE3 TRP A 39 21.951 -26.332 -46.378 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.623 -25.492 -46.105 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.644 -25.803 -47.444 1.00 0.00 C ATOM 579 CH2 TRP A 39 23.972 -25.387 -47.303 1.00 0.00 C ATOM 0 H TRP A 39 20.616 -28.306 -40.866 1.00 0.00 H new ATOM 0 HA TRP A 39 20.196 -25.798 -42.416 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.997 -28.603 -43.302 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.221 -27.487 -44.409 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.324 -27.081 -42.007 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.246 -26.015 -43.365 1.00 0.00 H new ATOM 0 HE3 TRP A 39 20.926 -26.652 -46.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.648 -25.170 -45.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.155 -25.708 -48.402 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.492 -24.976 -48.155 1.00 0.00 H new ATOM 590 N LYS A 40 18.012 -27.134 -43.560 1.00 0.00 N ATOM 591 CA LYS A 40 16.672 -27.649 -43.877 1.00 0.00 C ATOM 592 C LYS A 40 16.698 -28.231 -45.301 1.00 0.00 C ATOM 593 O LYS A 40 17.435 -27.749 -46.169 1.00 0.00 O ATOM 594 CB LYS A 40 15.581 -26.543 -43.692 1.00 0.00 C ATOM 595 CG LYS A 40 14.979 -26.482 -42.261 1.00 0.00 C ATOM 596 CD LYS A 40 14.242 -25.156 -41.953 1.00 0.00 C ATOM 597 CE LYS A 40 15.205 -23.956 -41.888 1.00 0.00 C ATOM 598 NZ LYS A 40 14.515 -22.705 -41.478 1.00 0.00 N ATOM 0 H LYS A 40 18.454 -26.660 -44.347 1.00 0.00 H new ATOM 0 HA LYS A 40 16.401 -28.445 -43.183 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.017 -25.573 -43.933 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.776 -26.718 -44.406 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.284 -27.312 -42.133 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.779 -26.621 -41.534 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.489 -24.974 -42.720 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.714 -25.248 -41.004 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.008 -24.174 -41.184 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.668 -23.811 -42.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.201 -21.924 -41.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.766 -22.481 -42.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.095 -22.833 -40.535 1.00 0.00 H new ATOM 612 N LYS A 41 15.919 -29.298 -45.500 1.00 0.00 N ATOM 613 CA LYS A 41 15.854 -30.062 -46.752 1.00 0.00 C ATOM 614 C LYS A 41 14.465 -29.912 -47.364 1.00 0.00 C ATOM 615 O LYS A 41 13.453 -30.093 -46.688 1.00 0.00 O ATOM 616 CB LYS A 41 16.194 -31.555 -46.468 1.00 0.00 C ATOM 617 CG LYS A 41 15.738 -32.595 -47.518 1.00 0.00 C ATOM 618 CD LYS A 41 16.415 -32.443 -48.887 1.00 0.00 C ATOM 619 CE LYS A 41 15.987 -33.544 -49.859 1.00 0.00 C ATOM 620 NZ LYS A 41 14.566 -33.424 -50.255 1.00 0.00 N ATOM 0 H LYS A 41 15.300 -29.665 -44.777 1.00 0.00 H new ATOM 0 HA LYS A 41 16.584 -29.679 -47.466 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.275 -31.640 -46.355 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.751 -31.826 -45.509 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.940 -33.595 -47.134 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.659 -32.515 -47.648 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.167 -31.469 -49.309 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.497 -32.469 -48.762 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.614 -33.503 -50.749 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.152 -34.517 -49.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.084 -34.333 -50.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.107 -32.687 -49.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.506 -33.168 -51.261 1.00 0.00 H new ATOM 634 N LEU A 42 14.446 -29.588 -48.654 1.00 0.00 N ATOM 635 CA LEU A 42 13.236 -29.483 -49.461 1.00 0.00 C ATOM 636 C LEU A 42 13.411 -30.330 -50.738 1.00 0.00 C ATOM 637 O LEU A 42 14.529 -30.535 -51.235 1.00 0.00 O ATOM 638 CB LEU A 42 12.943 -27.974 -49.755 1.00 0.00 C ATOM 639 CG LEU A 42 11.780 -27.630 -50.767 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.067 -26.297 -50.419 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.301 -27.574 -52.215 1.00 0.00 C ATOM 0 H LEU A 42 15.296 -29.386 -49.180 1.00 0.00 H new ATOM 0 HA LEU A 42 12.369 -29.876 -48.931 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.716 -27.487 -48.807 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.860 -27.523 -50.134 1.00 0.00 H new ATOM 0 HG LEU A 42 11.050 -28.435 -50.678 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.276 -26.107 -51.145 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.634 -26.366 -49.421 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.789 -25.480 -50.446 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.478 -27.335 -52.889 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.070 -26.806 -52.295 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.724 -28.541 -52.487 1.00 0.00 H new ATOM 653 N PHE A 43 12.291 -30.854 -51.222 1.00 0.00 N ATOM 654 CA PHE A 43 12.186 -31.603 -52.476 1.00 0.00 C ATOM 655 C PHE A 43 11.006 -31.038 -53.279 1.00 0.00 C ATOM 656 O PHE A 43 9.977 -30.695 -52.700 1.00 0.00 O ATOM 657 CB PHE A 43 11.988 -33.106 -52.139 1.00 0.00 C ATOM 658 CG PHE A 43 11.588 -34.016 -53.297 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.385 -34.140 -54.433 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.408 -34.765 -53.239 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.010 -34.974 -55.469 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.041 -35.597 -54.274 1.00 0.00 C ATOM 663 CZ PHE A 43 10.840 -35.700 -55.388 1.00 0.00 C ATOM 0 H PHE A 43 11.398 -30.768 -50.738 1.00 0.00 H new ATOM 0 HA PHE A 43 13.089 -31.506 -53.079 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.916 -33.485 -51.712 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.225 -33.184 -51.364 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.305 -33.579 -54.505 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.774 -34.690 -52.368 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.635 -35.058 -56.345 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.126 -36.168 -54.210 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.551 -36.350 -56.201 1.00 0.00 H new ATOM 673 N TYR A 44 11.172 -30.910 -54.600 1.00 0.00 N ATOM 674 CA TYR A 44 10.081 -30.517 -55.511 1.00 0.00 C ATOM 675 C TYR A 44 9.558 -31.762 -56.275 1.00 0.00 C ATOM 676 O TYR A 44 10.188 -32.192 -57.249 1.00 0.00 O ATOM 677 CB TYR A 44 10.561 -29.423 -56.514 1.00 0.00 C ATOM 678 CG TYR A 44 10.370 -27.961 -56.074 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.401 -27.238 -55.482 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.151 -27.304 -56.267 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.223 -25.923 -55.093 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.970 -25.987 -55.879 1.00 0.00 C ATOM 683 CZ TYR A 44 10.008 -25.303 -55.290 1.00 0.00 C ATOM 684 OH TYR A 44 9.831 -23.995 -54.897 1.00 0.00 O ATOM 0 H TYR A 44 12.062 -31.074 -55.071 1.00 0.00 H new ATOM 0 HA TYR A 44 9.268 -30.096 -54.919 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.620 -29.584 -56.714 1.00 0.00 H new ATOM 0 HB3 TYR A 44 10.033 -29.568 -57.456 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.358 -27.713 -55.323 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.332 -27.836 -56.729 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.037 -25.381 -54.634 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.019 -25.500 -56.038 1.00 0.00 H new ATOM 0 HH TYR A 44 8.918 -23.710 -55.109 1.00 0.00 H new ATOM 694 N PRO A 45 8.427 -32.395 -55.832 1.00 0.00 N ATOM 695 CA PRO A 45 7.734 -33.415 -56.643 1.00 0.00 C ATOM 696 C PRO A 45 6.905 -32.741 -57.751 1.00 0.00 C ATOM 697 O PRO A 45 6.374 -31.641 -57.548 1.00 0.00 O ATOM 698 CB PRO A 45 6.839 -34.141 -55.607 1.00 0.00 C ATOM 699 CG PRO A 45 6.518 -33.082 -54.594 1.00 0.00 C ATOM 700 CD PRO A 45 7.747 -32.188 -54.523 1.00 0.00 C ATOM 0 HA PRO A 45 8.405 -34.101 -57.160 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.935 -34.537 -56.070 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.360 -34.983 -55.152 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.637 -32.512 -54.890 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.300 -33.524 -53.622 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.471 -31.143 -54.378 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.393 -32.465 -53.690 1.00 0.00 H new ATOM 852 N GLU A 55 14.483 -30.861 -59.288 1.00 0.00 N ATOM 853 CA GLU A 55 15.542 -31.376 -58.404 1.00 0.00 C ATOM 854 C GLU A 55 15.346 -30.930 -56.931 1.00 0.00 C ATOM 855 O GLU A 55 14.415 -30.181 -56.590 1.00 0.00 O ATOM 856 CB GLU A 55 16.966 -30.977 -58.921 1.00 0.00 C ATOM 857 CG GLU A 55 17.280 -29.458 -58.971 1.00 0.00 C ATOM 858 CD GLU A 55 16.868 -28.778 -60.292 1.00 0.00 C ATOM 859 OE1 GLU A 55 15.743 -28.269 -60.396 1.00 0.00 O ATOM 860 OE2 GLU A 55 17.675 -28.767 -61.245 1.00 0.00 O ATOM 0 HA GLU A 55 15.465 -32.463 -58.427 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.708 -31.459 -58.284 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.093 -31.385 -59.924 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.769 -28.964 -58.145 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.349 -29.313 -58.817 1.00 0.00 H new ATOM 867 N VAL A 56 16.257 -31.414 -56.075 1.00 0.00 N ATOM 868 CA VAL A 56 16.268 -31.154 -54.631 1.00 0.00 C ATOM 869 C VAL A 56 16.930 -29.797 -54.335 1.00 0.00 C ATOM 870 O VAL A 56 17.948 -29.444 -54.941 1.00 0.00 O ATOM 871 CB VAL A 56 17.041 -32.313 -53.894 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.491 -31.914 -52.469 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.197 -33.616 -53.875 1.00 0.00 C ATOM 0 H VAL A 56 17.026 -32.012 -56.377 1.00 0.00 H new ATOM 0 HA VAL A 56 15.241 -31.120 -54.267 1.00 0.00 H new ATOM 0 HB VAL A 56 17.951 -32.502 -54.464 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.018 -32.749 -52.007 1.00 0.00 H new ATOM 0 HG12 VAL A 56 18.155 -31.052 -52.525 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.617 -31.660 -51.869 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.752 -34.401 -53.361 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.258 -33.434 -53.353 1.00 0.00 H new ATOM 0 HG23 VAL A 56 15.988 -33.929 -54.898 1.00 0.00 H new ATOM 883 N VAL A 57 16.326 -29.052 -53.387 1.00 0.00 N ATOM 884 CA VAL A 57 16.843 -27.769 -52.892 1.00 0.00 C ATOM 885 C VAL A 57 17.080 -27.861 -51.368 1.00 0.00 C ATOM 886 O VAL A 57 16.174 -28.226 -50.615 1.00 0.00 O ATOM 887 CB VAL A 57 15.858 -26.575 -53.212 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.396 -25.217 -52.678 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.546 -26.500 -54.733 1.00 0.00 C ATOM 0 H VAL A 57 15.453 -29.333 -52.940 1.00 0.00 H new ATOM 0 HA VAL A 57 17.784 -27.566 -53.404 1.00 0.00 H new ATOM 0 HB VAL A 57 14.925 -26.777 -52.686 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.688 -24.425 -52.920 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.520 -25.275 -51.597 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.357 -24.999 -53.143 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.866 -25.670 -54.924 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.472 -26.346 -55.287 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.081 -27.432 -55.055 1.00 0.00 H new ATOM 899 N PHE A 58 18.312 -27.561 -50.929 1.00 0.00 N ATOM 900 CA PHE A 58 18.661 -27.459 -49.500 1.00 0.00 C ATOM 901 C PHE A 58 18.648 -25.989 -49.063 1.00 0.00 C ATOM 902 O PHE A 58 19.361 -25.165 -49.631 1.00 0.00 O ATOM 903 CB PHE A 58 20.051 -28.103 -49.213 1.00 0.00 C ATOM 904 CG PHE A 58 19.998 -29.596 -48.916 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.137 -30.543 -49.924 1.00 0.00 C ATOM 906 CD2 PHE A 58 19.808 -30.047 -47.612 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.088 -31.894 -49.637 1.00 0.00 C ATOM 908 CE2 PHE A 58 19.759 -31.395 -47.330 1.00 0.00 C ATOM 909 CZ PHE A 58 19.901 -32.317 -48.342 1.00 0.00 C ATOM 0 H PHE A 58 19.097 -27.382 -51.555 1.00 0.00 H new ATOM 0 HA PHE A 58 17.916 -28.008 -48.924 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.700 -27.938 -50.073 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.508 -27.591 -48.366 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.285 -30.219 -50.944 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.698 -29.331 -46.811 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.197 -32.618 -50.431 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.609 -31.728 -46.314 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.866 -33.373 -48.119 1.00 0.00 H new ATOM 919 N VAL A 59 17.849 -25.683 -48.034 1.00 0.00 N ATOM 920 CA VAL A 59 17.780 -24.349 -47.434 1.00 0.00 C ATOM 921 C VAL A 59 18.974 -24.152 -46.496 1.00 0.00 C ATOM 922 O VAL A 59 19.183 -24.928 -45.551 1.00 0.00 O ATOM 923 CB VAL A 59 16.409 -24.128 -46.682 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.491 -23.040 -45.575 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.301 -23.785 -47.699 1.00 0.00 C ATOM 0 H VAL A 59 17.228 -26.361 -47.592 1.00 0.00 H new ATOM 0 HA VAL A 59 17.828 -23.601 -48.225 1.00 0.00 H new ATOM 0 HB VAL A 59 16.167 -25.063 -46.176 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.518 -22.935 -45.095 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.232 -23.333 -44.831 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.780 -22.088 -46.021 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.358 -23.634 -47.173 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.568 -22.874 -48.234 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.193 -24.605 -48.409 1.00 0.00 H new ATOM 935 N ALA A 60 19.740 -23.093 -46.795 1.00 0.00 N ATOM 936 CA ALA A 60 20.983 -22.740 -46.094 1.00 0.00 C ATOM 937 C ALA A 60 20.682 -21.981 -44.786 1.00 0.00 C ATOM 938 O ALA A 60 19.636 -21.325 -44.692 1.00 0.00 O ATOM 939 CB ALA A 60 21.882 -21.897 -47.017 1.00 0.00 C ATOM 0 H ALA A 60 19.508 -22.444 -47.547 1.00 0.00 H new ATOM 0 HA ALA A 60 21.508 -23.659 -45.832 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.802 -21.638 -46.492 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.124 -22.470 -47.912 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.358 -20.985 -47.301 1.00 0.00 H new ATOM 945 N PRO A 61 21.604 -22.032 -43.767 1.00 0.00 N ATOM 946 CA PRO A 61 21.418 -21.317 -42.478 1.00 0.00 C ATOM 947 C PRO A 61 21.341 -19.780 -42.646 1.00 0.00 C ATOM 948 O PRO A 61 20.713 -19.094 -41.831 1.00 0.00 O ATOM 949 CB PRO A 61 22.667 -21.737 -41.646 1.00 0.00 C ATOM 950 CG PRO A 61 23.676 -22.170 -42.667 1.00 0.00 C ATOM 951 CD PRO A 61 22.875 -22.810 -43.771 1.00 0.00 C ATOM 0 HA PRO A 61 20.473 -21.578 -42.001 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.041 -20.907 -41.047 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.429 -22.547 -40.956 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.249 -21.320 -43.039 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.390 -22.874 -42.240 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.386 -22.741 -44.731 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.699 -23.869 -43.579 1.00 0.00 H new ATOM 959 N THR A 62 21.986 -19.248 -43.708 1.00 0.00 N ATOM 960 CA THR A 62 21.949 -17.801 -44.025 1.00 0.00 C ATOM 961 C THR A 62 20.871 -17.492 -45.094 1.00 0.00 C ATOM 962 O THR A 62 20.594 -16.321 -45.373 1.00 0.00 O ATOM 963 CB THR A 62 23.356 -17.272 -44.490 1.00 0.00 C ATOM 964 OG1 THR A 62 23.376 -15.837 -44.543 1.00 0.00 O ATOM 965 CG2 THR A 62 23.766 -17.809 -45.864 1.00 0.00 C ATOM 0 H THR A 62 22.540 -19.800 -44.362 1.00 0.00 H new ATOM 0 HA THR A 62 21.683 -17.277 -43.107 1.00 0.00 H new ATOM 0 HB THR A 62 24.067 -17.635 -43.748 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.474 -15.504 -44.733 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.744 -17.411 -46.133 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.814 -18.897 -45.830 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.032 -17.502 -46.609 1.00 0.00 H new ATOM 973 N GLY A 63 20.265 -18.551 -45.678 1.00 0.00 N ATOM 974 CA GLY A 63 19.206 -18.396 -46.690 1.00 0.00 C ATOM 975 C GLY A 63 19.715 -18.423 -48.129 1.00 0.00 C ATOM 976 O GLY A 63 18.917 -18.315 -49.066 1.00 0.00 O ATOM 0 H GLY A 63 20.495 -19.521 -45.462 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.473 -19.192 -46.559 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.687 -17.453 -46.517 1.00 0.00 H new ATOM 980 N GLU A 64 21.044 -18.560 -48.302 1.00 0.00 N ATOM 981 CA GLU A 64 21.680 -18.722 -49.627 1.00 0.00 C ATOM 982 C GLU A 64 21.499 -20.188 -50.073 1.00 0.00 C ATOM 983 O GLU A 64 22.426 -21.006 -50.010 1.00 0.00 O ATOM 984 CB GLU A 64 23.181 -18.309 -49.541 1.00 0.00 C ATOM 985 CG GLU A 64 23.963 -18.337 -50.874 1.00 0.00 C ATOM 986 CD GLU A 64 25.413 -17.830 -50.724 1.00 0.00 C ATOM 987 OE1 GLU A 64 26.311 -18.641 -50.415 1.00 0.00 O ATOM 988 OE2 GLU A 64 25.651 -16.610 -50.882 1.00 0.00 O ATOM 0 H GLU A 64 21.708 -18.562 -47.528 1.00 0.00 H new ATOM 0 HA GLU A 64 21.214 -18.076 -50.371 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.238 -17.302 -49.129 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.681 -18.971 -48.834 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.977 -19.356 -51.261 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.442 -17.724 -51.609 1.00 0.00 H new ATOM 995 N GLU A 65 20.248 -20.516 -50.459 1.00 0.00 N ATOM 996 CA GLU A 65 19.799 -21.897 -50.692 1.00 0.00 C ATOM 997 C GLU A 65 20.480 -22.525 -51.919 1.00 0.00 C ATOM 998 O GLU A 65 20.975 -21.833 -52.816 1.00 0.00 O ATOM 999 CB GLU A 65 18.254 -21.947 -50.801 1.00 0.00 C ATOM 1000 CG GLU A 65 17.649 -21.090 -51.931 1.00 0.00 C ATOM 1001 CD GLU A 65 16.111 -21.140 -51.956 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.468 -20.403 -51.174 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.541 -21.917 -52.752 1.00 0.00 O ATOM 0 H GLU A 65 19.518 -19.821 -50.618 1.00 0.00 H new ATOM 0 HA GLU A 65 20.099 -22.499 -49.834 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.949 -22.983 -50.949 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.828 -21.622 -49.852 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.973 -20.056 -51.811 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.035 -21.435 -52.890 1.00 0.00 H new ATOM 1010 N ILE A 66 20.482 -23.850 -51.931 1.00 0.00 N ATOM 1011 CA ILE A 66 21.288 -24.670 -52.825 1.00 0.00 C ATOM 1012 C ILE A 66 20.364 -25.475 -53.748 1.00 0.00 C ATOM 1013 O ILE A 66 19.505 -26.201 -53.261 1.00 0.00 O ATOM 1014 CB ILE A 66 22.169 -25.635 -51.961 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.132 -24.840 -51.006 1.00 0.00 C ATOM 1016 CG2 ILE A 66 22.922 -26.641 -52.837 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.076 -23.863 -51.681 1.00 0.00 C ATOM 0 H ILE A 66 19.904 -24.402 -51.298 1.00 0.00 H new ATOM 0 HA ILE A 66 21.934 -24.041 -53.438 1.00 0.00 H new ATOM 0 HB ILE A 66 21.499 -26.210 -51.323 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.526 -24.291 -50.286 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.726 -25.558 -50.441 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.523 -27.295 -52.205 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.207 -27.239 -53.401 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.573 -26.106 -53.529 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.692 -23.372 -50.927 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.717 -24.400 -52.380 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.498 -23.113 -52.222 1.00 0.00 H new ATOM 1029 N SER A 67 20.569 -25.354 -55.066 1.00 0.00 N ATOM 1030 CA SER A 67 19.704 -25.979 -56.091 1.00 0.00 C ATOM 1031 C SER A 67 20.412 -27.126 -56.856 1.00 0.00 C ATOM 1032 O SER A 67 19.840 -27.683 -57.798 1.00 0.00 O ATOM 1033 CB SER A 67 19.205 -24.868 -57.047 1.00 0.00 C ATOM 1034 OG SER A 67 20.274 -24.026 -57.471 1.00 0.00 O ATOM 0 H SER A 67 21.342 -24.818 -55.460 1.00 0.00 H new ATOM 0 HA SER A 67 18.855 -26.451 -55.597 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.730 -25.321 -57.917 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.445 -24.269 -56.545 1.00 0.00 H new ATOM 0 HG SER A 67 19.927 -23.336 -58.074 1.00 0.00 H new ATOM 1040 N ASN A 68 21.645 -27.487 -56.441 1.00 0.00 N ATOM 1041 CA ASN A 68 22.361 -28.676 -56.971 1.00 0.00 C ATOM 1042 C ASN A 68 23.520 -29.061 -56.041 1.00 0.00 C ATOM 1043 O ASN A 68 23.969 -28.248 -55.225 1.00 0.00 O ATOM 1044 CB ASN A 68 22.892 -28.484 -58.423 1.00 0.00 C ATOM 1045 CG ASN A 68 23.938 -27.378 -58.554 1.00 0.00 C ATOM 1046 OD1 ASN A 68 25.117 -27.597 -58.315 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.521 -26.194 -58.952 1.00 0.00 N ATOM 0 H ASN A 68 22.171 -26.971 -55.736 1.00 0.00 H new ATOM 0 HA ASN A 68 21.627 -29.481 -57.008 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.324 -29.423 -58.769 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.053 -28.257 -59.080 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.188 -25.431 -59.068 1.00 0.00 H new ATOM 0 HD22 ASN A 68 22.531 -26.040 -59.144 1.00 0.00 H new ATOM 1054 N ARG A 69 24.038 -30.290 -56.227 1.00 0.00 N ATOM 1055 CA ARG A 69 25.036 -30.906 -55.323 1.00 0.00 C ATOM 1056 C ARG A 69 26.370 -30.123 -55.304 1.00 0.00 C ATOM 1057 O ARG A 69 27.026 -30.041 -54.263 1.00 0.00 O ATOM 1058 CB ARG A 69 25.292 -32.384 -55.731 1.00 0.00 C ATOM 1059 CG ARG A 69 25.793 -33.295 -54.580 1.00 0.00 C ATOM 1060 CD ARG A 69 26.612 -34.506 -55.055 1.00 0.00 C ATOM 1061 NE ARG A 69 27.950 -34.090 -55.525 1.00 0.00 N ATOM 1062 CZ ARG A 69 28.810 -34.850 -56.206 1.00 0.00 C ATOM 1063 NH1 ARG A 69 28.472 -36.069 -56.621 1.00 0.00 N ATOM 1064 NH2 ARG A 69 30.008 -34.367 -56.487 1.00 0.00 N ATOM 0 H ARG A 69 23.777 -30.888 -57.011 1.00 0.00 H new ATOM 0 HA ARG A 69 24.623 -30.872 -54.315 1.00 0.00 H new ATOM 0 HB2 ARG A 69 24.368 -32.802 -56.131 1.00 0.00 H new ATOM 0 HB3 ARG A 69 26.026 -32.403 -56.537 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.403 -32.701 -53.899 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.934 -33.650 -54.011 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.716 -35.222 -54.239 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.082 -35.015 -55.860 1.00 0.00 H new ATOM 0 HE ARG A 69 28.242 -33.137 -55.310 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.542 -36.437 -56.420 1.00 0.00 H new ATOM 0 HH12 ARG A 69 29.143 -36.635 -57.140 1.00 0.00 H new ATOM 0 HH21 ARG A 69 30.263 -33.427 -56.184 1.00 0.00 H new ATOM 0 HH22 ARG A 69 30.678 -34.934 -57.007 1.00 0.00 H new ATOM 1078 N LYS A 70 26.742 -29.549 -56.466 1.00 0.00 N ATOM 1079 CA LYS A 70 27.977 -28.746 -56.621 1.00 0.00 C ATOM 1080 C LYS A 70 27.927 -27.529 -55.688 1.00 0.00 C ATOM 1081 O LYS A 70 28.879 -27.267 -54.941 1.00 0.00 O ATOM 1082 CB LYS A 70 28.146 -28.299 -58.105 1.00 0.00 C ATOM 1083 CG LYS A 70 29.549 -27.754 -58.508 1.00 0.00 C ATOM 1084 CD LYS A 70 29.816 -26.281 -58.098 1.00 0.00 C ATOM 1085 CE LYS A 70 31.275 -25.854 -58.333 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.233 -26.655 -57.510 1.00 0.00 N ATOM 0 H LYS A 70 26.197 -29.628 -57.324 1.00 0.00 H new ATOM 0 HA LYS A 70 28.838 -29.357 -56.349 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.912 -29.149 -58.747 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.406 -27.527 -58.316 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.313 -28.387 -58.056 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.661 -27.842 -59.589 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.154 -25.625 -58.664 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.569 -26.151 -57.044 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.521 -25.968 -59.389 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.386 -24.797 -58.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.159 -26.183 -57.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.873 -26.735 -56.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 32.334 -27.605 -57.921 1.00 0.00 H new ATOM 1100 N GLN A 71 26.792 -26.795 -55.763 1.00 0.00 N ATOM 1101 CA GLN A 71 26.537 -25.597 -54.937 1.00 0.00 C ATOM 1102 C GLN A 71 26.662 -25.912 -53.439 1.00 0.00 C ATOM 1103 O GLN A 71 27.134 -25.078 -52.674 1.00 0.00 O ATOM 1104 CB GLN A 71 25.142 -24.987 -55.233 1.00 0.00 C ATOM 1105 CG GLN A 71 25.020 -24.217 -56.559 1.00 0.00 C ATOM 1106 CD GLN A 71 23.617 -23.637 -56.785 1.00 0.00 C ATOM 1107 OE1 GLN A 71 22.877 -23.363 -55.836 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.254 -23.408 -58.034 1.00 0.00 N ATOM 0 H GLN A 71 26.028 -27.019 -56.400 1.00 0.00 H new ATOM 0 HA GLN A 71 27.298 -24.863 -55.203 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.406 -25.791 -55.232 1.00 0.00 H new ATOM 0 HB3 GLN A 71 24.879 -24.313 -54.417 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.749 -23.407 -56.571 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.270 -24.883 -57.385 1.00 0.00 H new ATOM 0 HE21 GLN A 71 23.885 -23.644 -58.800 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.343 -22.995 -58.233 1.00 0.00 H new ATOM 1117 N LEU A 72 26.257 -27.128 -53.049 1.00 0.00 N ATOM 1118 CA LEU A 72 26.321 -27.586 -51.649 1.00 0.00 C ATOM 1119 C LEU A 72 27.800 -27.684 -51.205 1.00 0.00 C ATOM 1120 O LEU A 72 28.200 -27.061 -50.220 1.00 0.00 O ATOM 1121 CB LEU A 72 25.591 -28.964 -51.512 1.00 0.00 C ATOM 1122 CG LEU A 72 24.981 -29.332 -50.117 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.029 -29.431 -49.007 1.00 0.00 C ATOM 1124 CD2 LEU A 72 23.864 -28.354 -49.740 1.00 0.00 C ATOM 0 H LEU A 72 25.876 -27.823 -53.691 1.00 0.00 H new ATOM 0 HA LEU A 72 25.817 -26.871 -50.999 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.787 -28.991 -52.247 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.299 -29.747 -51.785 1.00 0.00 H new ATOM 0 HG LEU A 72 24.555 -30.330 -50.217 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.540 -29.689 -48.067 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.756 -30.202 -49.261 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.538 -28.473 -48.901 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.454 -28.627 -48.768 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.267 -27.342 -49.692 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.075 -28.395 -50.491 1.00 0.00 H new ATOM 1136 N GLU A 73 28.590 -28.452 -51.982 1.00 0.00 N ATOM 1137 CA GLU A 73 30.011 -28.764 -51.678 1.00 0.00 C ATOM 1138 C GLU A 73 30.868 -27.485 -51.592 1.00 0.00 C ATOM 1139 O GLU A 73 31.628 -27.297 -50.630 1.00 0.00 O ATOM 1140 CB GLU A 73 30.565 -29.722 -52.771 1.00 0.00 C ATOM 1141 CG GLU A 73 29.792 -31.050 -52.878 1.00 0.00 C ATOM 1142 CD GLU A 73 30.207 -31.902 -54.087 1.00 0.00 C ATOM 1143 OE1 GLU A 73 29.729 -31.624 -55.209 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.016 -32.845 -53.935 1.00 0.00 O ATOM 0 H GLU A 73 28.261 -28.880 -52.848 1.00 0.00 H new ATOM 0 HA GLU A 73 30.062 -29.249 -50.703 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.535 -29.215 -53.736 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.612 -29.937 -52.557 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.947 -31.627 -51.966 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.725 -30.837 -52.942 1.00 0.00 H new ATOM 1151 N GLN A 74 30.702 -26.597 -52.593 1.00 0.00 N ATOM 1152 CA GLN A 74 31.454 -25.332 -52.670 1.00 0.00 C ATOM 1153 C GLN A 74 31.039 -24.362 -51.545 1.00 0.00 C ATOM 1154 O GLN A 74 31.862 -23.574 -51.080 1.00 0.00 O ATOM 1155 CB GLN A 74 31.346 -24.679 -54.090 1.00 0.00 C ATOM 1156 CG GLN A 74 29.942 -24.187 -54.526 1.00 0.00 C ATOM 1157 CD GLN A 74 29.532 -22.815 -53.965 1.00 0.00 C ATOM 1158 OE1 GLN A 74 30.372 -21.938 -53.759 1.00 0.00 O ATOM 1159 NE2 GLN A 74 28.244 -22.632 -53.710 1.00 0.00 N ATOM 0 H GLN A 74 30.048 -26.736 -53.364 1.00 0.00 H new ATOM 0 HA GLN A 74 32.508 -25.565 -52.515 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.030 -23.831 -54.127 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.696 -25.404 -54.825 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.911 -24.142 -55.615 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.202 -24.925 -54.216 1.00 0.00 H new ATOM 0 HE21 GLN A 74 27.576 -23.381 -53.893 1.00 0.00 H new ATOM 0 HE22 GLN A 74 27.921 -21.742 -53.331 1.00 0.00 H new ATOM 1168 N TYR A 75 29.755 -24.442 -51.110 1.00 0.00 N ATOM 1169 CA TYR A 75 29.225 -23.630 -49.992 1.00 0.00 C ATOM 1170 C TYR A 75 29.921 -24.041 -48.683 1.00 0.00 C ATOM 1171 O TYR A 75 30.345 -23.182 -47.915 1.00 0.00 O ATOM 1172 CB TYR A 75 27.681 -23.811 -49.877 1.00 0.00 C ATOM 1173 CG TYR A 75 26.979 -22.950 -48.812 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.301 -21.778 -49.153 1.00 0.00 C ATOM 1175 CD2 TYR A 75 26.977 -23.323 -47.467 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.651 -21.021 -48.195 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.334 -22.565 -46.512 1.00 0.00 C ATOM 1178 CZ TYR A 75 25.671 -21.421 -46.877 1.00 0.00 C ATOM 1179 OH TYR A 75 25.021 -20.677 -45.916 1.00 0.00 O ATOM 0 H TYR A 75 29.064 -25.068 -51.524 1.00 0.00 H new ATOM 0 HA TYR A 75 29.428 -22.576 -50.183 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.236 -23.589 -50.847 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.473 -24.859 -49.663 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.284 -21.457 -50.184 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.490 -24.225 -47.168 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.129 -20.119 -48.479 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.352 -22.872 -45.477 1.00 0.00 H new ATOM 0 HH TYR A 75 25.135 -21.102 -45.040 1.00 0.00 H new ATOM 1189 N LEU A 76 30.044 -25.368 -48.461 1.00 0.00 N ATOM 1190 CA LEU A 76 30.613 -25.931 -47.213 1.00 0.00 C ATOM 1191 C LEU A 76 32.091 -25.527 -47.028 1.00 0.00 C ATOM 1192 O LEU A 76 32.501 -25.150 -45.928 1.00 0.00 O ATOM 1193 CB LEU A 76 30.502 -27.477 -47.193 1.00 0.00 C ATOM 1194 CG LEU A 76 29.075 -28.088 -47.297 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.133 -29.623 -47.167 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.099 -27.462 -46.275 1.00 0.00 C ATOM 0 H LEU A 76 29.754 -26.076 -49.136 1.00 0.00 H new ATOM 0 HA LEU A 76 30.030 -25.518 -46.390 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.098 -27.869 -48.017 1.00 0.00 H new ATOM 0 HB3 LEU A 76 30.957 -27.837 -46.270 1.00 0.00 H new ATOM 0 HG LEU A 76 28.682 -27.847 -48.285 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.126 -30.033 -47.242 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.752 -30.033 -47.965 1.00 0.00 H new ATOM 0 HD13 LEU A 76 29.562 -29.890 -46.201 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.115 -27.919 -46.384 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.470 -27.635 -45.265 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.023 -26.390 -46.454 1.00 0.00 H new ATOM 1208 N LYS A 77 32.876 -25.613 -48.120 1.00 0.00 N ATOM 1209 CA LYS A 77 34.317 -25.264 -48.103 1.00 0.00 C ATOM 1210 C LYS A 77 34.527 -23.730 -48.087 1.00 0.00 C ATOM 1211 O LYS A 77 35.602 -23.244 -47.721 1.00 0.00 O ATOM 1212 CB LYS A 77 35.064 -25.971 -49.283 1.00 0.00 C ATOM 1213 CG LYS A 77 34.614 -25.598 -50.727 1.00 0.00 C ATOM 1214 CD LYS A 77 35.397 -24.405 -51.339 1.00 0.00 C ATOM 1215 CE LYS A 77 34.992 -24.107 -52.794 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.829 -23.039 -53.404 1.00 0.00 N ATOM 0 H LYS A 77 32.537 -25.922 -49.031 1.00 0.00 H new ATOM 0 HA LYS A 77 34.757 -25.636 -47.178 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.128 -25.751 -49.192 1.00 0.00 H new ATOM 0 HB3 LYS A 77 34.950 -27.048 -49.160 1.00 0.00 H new ATOM 0 HG2 LYS A 77 34.735 -26.469 -51.371 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.551 -25.355 -50.715 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.229 -23.516 -50.731 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.465 -24.620 -51.301 1.00 0.00 H new ATOM 0 HE2 LYS A 77 35.079 -25.017 -53.387 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.945 -23.806 -52.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.520 -22.873 -54.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.727 -22.162 -52.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.826 -23.335 -53.401 1.00 0.00 H new ATOM 1230 N SER A 78 33.484 -22.978 -48.491 1.00 0.00 N ATOM 1231 CA SER A 78 33.472 -21.497 -48.415 1.00 0.00 C ATOM 1232 C SER A 78 32.867 -21.007 -47.083 1.00 0.00 C ATOM 1233 O SER A 78 32.957 -19.817 -46.755 1.00 0.00 O ATOM 1234 CB SER A 78 32.679 -20.916 -49.614 1.00 0.00 C ATOM 1235 OG SER A 78 32.644 -19.491 -49.602 1.00 0.00 O ATOM 0 H SER A 78 32.628 -23.375 -48.878 1.00 0.00 H new ATOM 0 HA SER A 78 34.502 -21.144 -48.460 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.131 -21.258 -50.545 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.660 -21.302 -49.594 1.00 0.00 H new ATOM 0 HG SER A 78 32.620 -19.172 -48.676 1.00 0.00 H new ATOM 1241 N HIS A 79 32.227 -21.921 -46.334 1.00 0.00 N ATOM 1242 CA HIS A 79 31.584 -21.609 -45.042 1.00 0.00 C ATOM 1243 C HIS A 79 31.977 -22.681 -43.992 1.00 0.00 C ATOM 1244 O HIS A 79 31.238 -23.658 -43.803 1.00 0.00 O ATOM 1245 CB HIS A 79 30.034 -21.528 -45.195 1.00 0.00 C ATOM 1246 CG HIS A 79 29.518 -20.349 -45.980 1.00 0.00 C ATOM 1247 ND1 HIS A 79 28.932 -19.256 -45.379 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.464 -20.108 -47.315 1.00 0.00 C ATOM 1249 CE1 HIS A 79 28.543 -18.402 -46.304 1.00 0.00 C ATOM 1250 NE2 HIS A 79 28.855 -18.891 -47.486 1.00 0.00 N ATOM 0 H HIS A 79 32.140 -22.900 -46.607 1.00 0.00 H new ATOM 0 HA HIS A 79 31.934 -20.634 -44.702 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.686 -22.442 -45.676 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.589 -21.502 -44.200 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.832 -20.755 -48.097 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.050 -17.458 -46.123 1.00 0.00 H new ATOM 0 HE2 HIS A 79 28.674 -18.439 -48.382 1.00 0.00 H new ATOM 1259 N PRO A 80 33.176 -22.536 -43.327 1.00 0.00 N ATOM 1260 CA PRO A 80 33.618 -23.463 -42.252 1.00 0.00 C ATOM 1261 C PRO A 80 32.707 -23.381 -41.002 1.00 0.00 C ATOM 1262 O PRO A 80 32.428 -22.287 -40.488 1.00 0.00 O ATOM 1263 CB PRO A 80 35.071 -23.008 -41.949 1.00 0.00 C ATOM 1264 CG PRO A 80 35.117 -21.577 -42.390 1.00 0.00 C ATOM 1265 CD PRO A 80 34.195 -21.481 -43.585 1.00 0.00 C ATOM 0 HA PRO A 80 33.564 -24.509 -42.553 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.304 -23.104 -40.888 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.797 -23.614 -42.491 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.791 -20.911 -41.591 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.132 -21.283 -42.656 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.739 -20.494 -43.662 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.729 -21.659 -44.519 1.00 0.00 H new ATOM 1273 N GLY A 81 32.234 -24.552 -40.547 1.00 0.00 N ATOM 1274 CA GLY A 81 31.326 -24.666 -39.406 1.00 0.00 C ATOM 1275 C GLY A 81 30.047 -25.405 -39.772 1.00 0.00 C ATOM 1276 O GLY A 81 29.357 -25.940 -38.895 1.00 0.00 O ATOM 0 H GLY A 81 32.475 -25.450 -40.967 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.828 -25.190 -38.593 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.078 -23.670 -39.038 1.00 0.00 H new ATOM 1280 N ASN A 82 29.719 -25.416 -41.078 1.00 0.00 N ATOM 1281 CA ASN A 82 28.545 -26.133 -41.606 1.00 0.00 C ATOM 1282 C ASN A 82 28.798 -27.665 -41.626 1.00 0.00 C ATOM 1283 O ASN A 82 29.951 -28.096 -41.731 1.00 0.00 O ATOM 1284 CB ASN A 82 28.187 -25.612 -43.031 1.00 0.00 C ATOM 1285 CG ASN A 82 27.549 -24.220 -43.036 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.689 -23.936 -42.063 1.00 0.00 O flip ATOM 1287 ND2 ASN A 82 27.791 -23.420 -43.928 1.00 0.00 N flip ATOM 0 H ASN A 82 30.259 -24.930 -41.794 1.00 0.00 H new ATOM 0 HA ASN A 82 27.699 -25.941 -40.947 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.092 -25.589 -43.638 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.504 -26.317 -43.505 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.455 -23.662 -44.664 1.00 0.00 H new ATOM 0 HD22 ASN A 82 27.329 -22.511 -43.937 1.00 0.00 H new ATOM 1294 N PRO A 83 27.720 -28.510 -41.510 1.00 0.00 N ATOM 1295 CA PRO A 83 27.852 -29.990 -41.542 1.00 0.00 C ATOM 1296 C PRO A 83 28.242 -30.528 -42.938 1.00 0.00 C ATOM 1297 O PRO A 83 28.082 -29.838 -43.955 1.00 0.00 O ATOM 1298 CB PRO A 83 26.449 -30.475 -41.103 1.00 0.00 C ATOM 1299 CG PRO A 83 25.523 -29.378 -41.515 1.00 0.00 C ATOM 1300 CD PRO A 83 26.302 -28.095 -41.322 1.00 0.00 C ATOM 0 HA PRO A 83 28.653 -30.351 -40.897 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.187 -31.417 -41.585 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.407 -30.645 -40.027 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.213 -29.496 -42.553 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.617 -29.381 -40.909 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.008 -27.335 -42.046 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.137 -27.672 -40.331 1.00 0.00 H new ATOM 1308 N ALA A 84 28.770 -31.765 -42.957 1.00 0.00 N ATOM 1309 CA ALA A 84 29.275 -32.417 -44.179 1.00 0.00 C ATOM 1310 C ALA A 84 28.120 -32.912 -45.061 1.00 0.00 C ATOM 1311 O ALA A 84 27.092 -33.344 -44.544 1.00 0.00 O ATOM 1312 CB ALA A 84 30.198 -33.593 -43.818 1.00 0.00 C ATOM 0 H ALA A 84 28.859 -32.343 -42.121 1.00 0.00 H new ATOM 0 HA ALA A 84 29.843 -31.676 -44.741 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.562 -34.063 -44.731 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.044 -33.226 -43.236 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.643 -34.324 -43.230 1.00 0.00 H new ATOM 1318 N ILE A 85 28.338 -32.915 -46.393 1.00 0.00 N ATOM 1319 CA ILE A 85 27.315 -33.312 -47.396 1.00 0.00 C ATOM 1320 C ILE A 85 26.932 -34.818 -47.288 1.00 0.00 C ATOM 1321 O ILE A 85 25.921 -35.264 -47.854 1.00 0.00 O ATOM 1322 CB ILE A 85 27.784 -32.944 -48.861 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.597 -33.051 -49.873 1.00 0.00 C ATOM 1324 CG2 ILE A 85 28.992 -33.798 -49.319 1.00 0.00 C ATOM 1325 CD1 ILE A 85 26.915 -32.590 -51.281 1.00 0.00 C ATOM 0 H ILE A 85 29.229 -32.642 -46.809 1.00 0.00 H new ATOM 0 HA ILE A 85 26.413 -32.742 -47.174 1.00 0.00 H new ATOM 0 HB ILE A 85 28.119 -31.907 -48.841 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.265 -34.088 -49.912 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.761 -32.463 -49.494 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.279 -33.510 -50.330 1.00 0.00 H new ATOM 0 HG22 ILE A 85 29.831 -33.633 -48.643 1.00 0.00 H new ATOM 0 HG23 ILE A 85 28.718 -34.853 -49.306 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.031 -32.702 -51.909 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.216 -31.543 -51.262 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.727 -33.193 -51.687 1.00 0.00 H new ATOM 1337 N ALA A 86 27.739 -35.575 -46.521 1.00 0.00 N ATOM 1338 CA ALA A 86 27.509 -37.007 -46.220 1.00 0.00 C ATOM 1339 C ALA A 86 26.142 -37.249 -45.538 1.00 0.00 C ATOM 1340 O ALA A 86 25.489 -38.271 -45.790 1.00 0.00 O ATOM 1341 CB ALA A 86 28.654 -37.541 -45.341 1.00 0.00 C ATOM 0 H ALA A 86 28.584 -35.206 -46.084 1.00 0.00 H new ATOM 0 HA ALA A 86 27.491 -37.549 -47.166 1.00 0.00 H new ATOM 0 HB1 ALA A 86 28.483 -38.595 -45.121 1.00 0.00 H new ATOM 0 HB2 ALA A 86 29.601 -37.430 -45.870 1.00 0.00 H new ATOM 0 HB3 ALA A 86 28.691 -36.977 -44.409 1.00 0.00 H new ATOM 1347 N GLU A 87 25.714 -36.299 -44.683 1.00 0.00 N ATOM 1348 CA GLU A 87 24.403 -36.371 -43.990 1.00 0.00 C ATOM 1349 C GLU A 87 23.277 -35.677 -44.788 1.00 0.00 C ATOM 1350 O GLU A 87 22.092 -35.811 -44.438 1.00 0.00 O ATOM 1351 CB GLU A 87 24.495 -35.767 -42.569 1.00 0.00 C ATOM 1352 CG GLU A 87 24.974 -34.308 -42.508 1.00 0.00 C ATOM 1353 CD GLU A 87 24.898 -33.732 -41.091 1.00 0.00 C ATOM 1354 OE1 GLU A 87 25.934 -33.693 -40.389 1.00 0.00 O ATOM 1355 OE2 GLU A 87 23.795 -33.344 -40.653 1.00 0.00 O ATOM 0 H GLU A 87 26.257 -35.467 -44.452 1.00 0.00 H new ATOM 0 HA GLU A 87 24.149 -37.428 -43.913 1.00 0.00 H new ATOM 0 HB2 GLU A 87 23.513 -35.830 -42.100 1.00 0.00 H new ATOM 0 HB3 GLU A 87 25.172 -36.380 -41.974 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.001 -34.250 -42.867 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.367 -33.700 -43.178 1.00 0.00 H new ATOM 1362 N PHE A 88 23.647 -34.912 -45.829 1.00 0.00 N ATOM 1363 CA PHE A 88 22.679 -34.239 -46.713 1.00 0.00 C ATOM 1364 C PHE A 88 22.072 -35.274 -47.662 1.00 0.00 C ATOM 1365 O PHE A 88 22.747 -35.758 -48.576 1.00 0.00 O ATOM 1366 CB PHE A 88 23.366 -33.104 -47.519 1.00 0.00 C ATOM 1367 CG PHE A 88 23.725 -31.879 -46.689 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.259 -30.625 -47.033 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.529 -31.981 -45.557 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.584 -29.521 -46.285 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.852 -30.876 -44.810 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.383 -29.643 -45.175 1.00 0.00 C ATOM 0 H PHE A 88 24.621 -34.743 -46.081 1.00 0.00 H new ATOM 0 HA PHE A 88 21.892 -33.789 -46.108 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.273 -33.497 -47.978 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.705 -32.799 -48.330 1.00 0.00 H new ATOM 0 HD1 PHE A 88 22.630 -30.512 -47.903 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.906 -32.949 -45.261 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.209 -28.550 -46.571 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.476 -30.979 -43.935 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.640 -28.770 -44.593 1.00 0.00 H new ATOM 1382 N ASP A 89 20.794 -35.602 -47.433 1.00 0.00 N ATOM 1383 CA ASP A 89 20.110 -36.686 -48.156 1.00 0.00 C ATOM 1384 C ASP A 89 19.506 -36.145 -49.467 1.00 0.00 C ATOM 1385 O ASP A 89 18.479 -35.465 -49.448 1.00 0.00 O ATOM 1386 CB ASP A 89 19.003 -37.350 -47.267 1.00 0.00 C ATOM 1387 CG ASP A 89 18.723 -38.813 -47.654 1.00 0.00 C ATOM 1388 OD1 ASP A 89 18.801 -39.710 -46.784 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.437 -39.075 -48.835 1.00 0.00 O ATOM 0 H ASP A 89 20.207 -35.128 -46.747 1.00 0.00 H new ATOM 0 HA ASP A 89 20.844 -37.455 -48.397 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.310 -37.308 -46.222 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.082 -36.774 -47.352 1.00 0.00 H new ATOM 1394 N TRP A 90 20.183 -36.423 -50.589 1.00 0.00 N ATOM 1395 CA TRP A 90 19.695 -36.094 -51.946 1.00 0.00 C ATOM 1396 C TRP A 90 18.855 -37.264 -52.503 1.00 0.00 C ATOM 1397 O TRP A 90 17.875 -37.049 -53.228 1.00 0.00 O ATOM 1398 CB TRP A 90 20.898 -35.786 -52.888 1.00 0.00 C ATOM 1399 CG TRP A 90 21.737 -34.601 -52.445 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.779 -34.610 -51.554 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.600 -33.235 -52.875 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.283 -33.345 -51.403 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.579 -32.486 -52.202 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.745 -32.575 -53.759 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.721 -31.120 -52.387 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.889 -31.212 -53.941 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.870 -30.497 -53.256 1.00 0.00 C ATOM 0 H TRP A 90 21.092 -36.886 -50.587 1.00 0.00 H new ATOM 0 HA TRP A 90 19.063 -35.208 -51.892 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.535 -36.668 -52.948 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.521 -35.597 -53.893 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.149 -35.488 -51.045 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.058 -33.085 -50.793 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.982 -33.121 -54.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.482 -30.564 -51.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.232 -30.694 -54.624 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.959 -29.432 -53.415 1.00 0.00 H new ATOM 1418 N THR A 91 19.224 -38.498 -52.097 1.00 0.00 N ATOM 1419 CA THR A 91 18.656 -39.754 -52.639 1.00 0.00 C ATOM 1420 C THR A 91 17.224 -40.042 -52.101 1.00 0.00 C ATOM 1421 O THR A 91 16.555 -40.969 -52.575 1.00 0.00 O ATOM 1422 CB THR A 91 19.633 -40.960 -52.356 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.141 -42.183 -52.938 1.00 0.00 O ATOM 1424 CG2 THR A 91 19.888 -41.180 -50.856 1.00 0.00 C ATOM 0 H THR A 91 19.930 -38.653 -51.378 1.00 0.00 H new ATOM 0 HA THR A 91 18.556 -39.631 -53.717 1.00 0.00 H new ATOM 0 HB THR A 91 20.580 -40.689 -52.823 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.171 -42.119 -53.064 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.567 -42.022 -50.722 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.334 -40.283 -50.427 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.944 -41.391 -50.354 1.00 0.00 H new