USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 ASN : amide:sc= -1.69 K(o=-1.9,f=-1.2) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.186 K(o=-1.9,f=-1.2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -140:sc= -0.501 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -124:sc= -0.127 (180deg=-0.778) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -23:sc= 0.231 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= -0.012 (180deg=-0.104) USER MOD Single : A 74 GLN : amide:sc=-0.000739 X(o=-0.00074,f=-0.29) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0557 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 82 ASN : amide:sc= 0.214 K(o=0.21,f=-2.4!) USER MOD Single : A 91 THR OG1 : rot -40:sc= 0.51 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 4.618 -27.142 -56.114 1.00 0.00 N ATOM 430 CA VAL A 29 4.624 -28.321 -55.227 1.00 0.00 C ATOM 431 C VAL A 29 6.058 -28.688 -54.790 1.00 0.00 C ATOM 432 O VAL A 29 6.897 -29.099 -55.597 1.00 0.00 O ATOM 433 CB VAL A 29 3.883 -29.562 -55.875 1.00 0.00 C ATOM 434 CG1 VAL A 29 2.356 -29.309 -55.930 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.437 -29.900 -57.286 1.00 0.00 C ATOM 0 HA VAL A 29 4.062 -28.048 -54.334 1.00 0.00 H new ATOM 0 HB VAL A 29 4.075 -30.427 -55.240 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.860 -30.170 -56.378 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.976 -29.156 -54.920 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.156 -28.422 -56.531 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.900 -30.757 -57.692 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.302 -29.042 -57.945 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.498 -30.138 -57.213 1.00 0.00 H new ATOM 445 N SER A 30 6.323 -28.496 -53.492 1.00 0.00 N ATOM 446 CA SER A 30 7.619 -28.767 -52.865 1.00 0.00 C ATOM 447 C SER A 30 7.393 -29.297 -51.439 1.00 0.00 C ATOM 448 O SER A 30 6.804 -28.610 -50.593 1.00 0.00 O ATOM 449 CB SER A 30 8.478 -27.481 -52.867 1.00 0.00 C ATOM 450 OG SER A 30 7.696 -26.342 -52.547 1.00 0.00 O ATOM 0 H SER A 30 5.627 -28.141 -52.836 1.00 0.00 H new ATOM 0 HA SER A 30 8.158 -29.528 -53.429 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.290 -27.582 -52.147 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.936 -27.348 -53.847 1.00 0.00 H new ATOM 0 HG SER A 30 8.264 -25.543 -52.554 1.00 0.00 H new ATOM 456 N VAL A 31 7.843 -30.536 -51.202 1.00 0.00 N ATOM 457 CA VAL A 31 7.737 -31.213 -49.903 1.00 0.00 C ATOM 458 C VAL A 31 9.099 -31.140 -49.208 1.00 0.00 C ATOM 459 O VAL A 31 10.126 -31.421 -49.831 1.00 0.00 O ATOM 460 CB VAL A 31 7.291 -32.720 -50.073 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.204 -33.458 -48.702 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.946 -32.806 -50.843 1.00 0.00 C ATOM 0 H VAL A 31 8.297 -31.104 -51.917 1.00 0.00 H new ATOM 0 HA VAL A 31 6.977 -30.716 -49.301 1.00 0.00 H new ATOM 0 HB VAL A 31 8.057 -33.228 -50.660 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.894 -34.491 -48.864 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.181 -33.444 -48.218 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.476 -32.956 -48.064 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.655 -33.851 -50.951 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.175 -32.269 -50.290 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.063 -32.358 -51.830 1.00 0.00 H new ATOM 472 N GLU A 32 9.104 -30.726 -47.939 1.00 0.00 N ATOM 473 CA GLU A 32 10.313 -30.703 -47.109 1.00 0.00 C ATOM 474 C GLU A 32 10.578 -32.103 -46.533 1.00 0.00 C ATOM 475 O GLU A 32 9.855 -32.581 -45.649 1.00 0.00 O ATOM 476 CB GLU A 32 10.191 -29.643 -45.983 1.00 0.00 C ATOM 477 CG GLU A 32 10.132 -28.186 -46.497 1.00 0.00 C ATOM 478 CD GLU A 32 9.936 -27.157 -45.371 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.922 -26.808 -44.683 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.788 -26.704 -45.157 1.00 0.00 O ATOM 0 H GLU A 32 8.268 -30.396 -47.456 1.00 0.00 H new ATOM 0 HA GLU A 32 11.162 -30.420 -47.731 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.293 -29.849 -45.400 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.040 -29.745 -45.308 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.054 -27.958 -47.033 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.316 -28.092 -47.213 1.00 0.00 H new ATOM 487 N LEU A 33 11.606 -32.761 -47.076 1.00 0.00 N ATOM 488 CA LEU A 33 12.031 -34.115 -46.676 1.00 0.00 C ATOM 489 C LEU A 33 12.948 -34.029 -45.426 1.00 0.00 C ATOM 490 O LEU A 33 13.436 -32.938 -45.111 1.00 0.00 O ATOM 491 CB LEU A 33 12.732 -34.807 -47.900 1.00 0.00 C ATOM 492 CG LEU A 33 11.786 -35.484 -48.947 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.092 -36.721 -48.357 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.752 -34.504 -49.500 1.00 0.00 C ATOM 0 H LEU A 33 12.180 -32.364 -47.820 1.00 0.00 H new ATOM 0 HA LEU A 33 11.173 -34.726 -46.395 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.335 -34.060 -48.416 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.418 -35.563 -47.519 1.00 0.00 H new ATOM 0 HG LEU A 33 12.415 -35.806 -49.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.442 -37.167 -49.110 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.844 -37.448 -48.049 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.497 -36.427 -47.493 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.116 -35.015 -50.223 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.139 -34.123 -48.683 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.262 -33.674 -49.989 1.00 0.00 H new ATOM 506 N PRO A 34 13.145 -35.159 -44.644 1.00 0.00 N ATOM 507 CA PRO A 34 13.993 -35.160 -43.419 1.00 0.00 C ATOM 508 C PRO A 34 15.422 -34.614 -43.666 1.00 0.00 C ATOM 509 O PRO A 34 16.075 -34.962 -44.660 1.00 0.00 O ATOM 510 CB PRO A 34 13.996 -36.649 -42.955 1.00 0.00 C ATOM 511 CG PRO A 34 13.461 -37.427 -44.120 1.00 0.00 C ATOM 512 CD PRO A 34 12.516 -36.492 -44.838 1.00 0.00 C ATOM 0 HA PRO A 34 13.597 -34.489 -42.656 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.002 -36.977 -42.691 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.374 -36.787 -42.071 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.267 -37.750 -44.778 1.00 0.00 H new ATOM 0 HG3 PRO A 34 12.943 -38.326 -43.786 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.425 -36.744 -45.894 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.513 -36.529 -44.414 1.00 0.00 H new ATOM 520 N ALA A 35 15.888 -33.774 -42.731 1.00 0.00 N ATOM 521 CA ALA A 35 17.057 -32.884 -42.915 1.00 0.00 C ATOM 522 C ALA A 35 18.179 -33.141 -41.883 1.00 0.00 C ATOM 523 O ALA A 35 17.938 -33.783 -40.855 1.00 0.00 O ATOM 524 CB ALA A 35 16.576 -31.422 -42.787 1.00 0.00 C ATOM 0 H ALA A 35 15.461 -33.688 -41.809 1.00 0.00 H new ATOM 0 HA ALA A 35 17.479 -33.086 -43.899 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.422 -30.748 -42.919 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.826 -31.217 -43.551 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.140 -31.268 -41.800 1.00 0.00 H new ATOM 530 N PRO A 36 19.436 -32.637 -42.154 1.00 0.00 N ATOM 531 CA PRO A 36 20.470 -32.458 -41.100 1.00 0.00 C ATOM 532 C PRO A 36 20.048 -31.340 -40.104 1.00 0.00 C ATOM 533 O PRO A 36 19.265 -30.463 -40.463 1.00 0.00 O ATOM 534 CB PRO A 36 21.746 -32.087 -41.904 1.00 0.00 C ATOM 535 CG PRO A 36 21.239 -31.514 -43.192 1.00 0.00 C ATOM 536 CD PRO A 36 19.954 -32.252 -43.500 1.00 0.00 C ATOM 0 HA PRO A 36 20.623 -33.342 -40.481 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.357 -31.364 -41.364 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.370 -32.963 -42.080 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.061 -30.443 -43.099 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.967 -31.648 -43.992 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.247 -31.618 -44.035 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.134 -33.127 -44.125 1.00 0.00 H new ATOM 544 N SER A 37 20.591 -31.368 -38.876 1.00 0.00 N ATOM 545 CA SER A 37 20.086 -30.558 -37.737 1.00 0.00 C ATOM 546 C SER A 37 20.181 -29.020 -37.966 1.00 0.00 C ATOM 547 O SER A 37 19.268 -28.277 -37.591 1.00 0.00 O ATOM 548 CB SER A 37 20.830 -30.968 -36.439 1.00 0.00 C ATOM 549 OG SER A 37 22.240 -30.862 -36.589 1.00 0.00 O ATOM 0 H SER A 37 21.393 -31.951 -38.637 1.00 0.00 H new ATOM 0 HA SER A 37 19.021 -30.773 -37.644 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.502 -30.334 -35.615 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.567 -31.993 -36.176 1.00 0.00 H new ATOM 0 HG SER A 37 22.679 -31.126 -35.753 1.00 0.00 H new ATOM 555 N SER A 38 21.276 -28.562 -38.590 1.00 0.00 N ATOM 556 CA SER A 38 21.553 -27.111 -38.779 1.00 0.00 C ATOM 557 C SER A 38 20.947 -26.562 -40.092 1.00 0.00 C ATOM 558 O SER A 38 20.738 -25.344 -40.234 1.00 0.00 O ATOM 559 CB SER A 38 23.074 -26.870 -38.728 1.00 0.00 C ATOM 560 OG SER A 38 23.755 -27.781 -39.569 1.00 0.00 O ATOM 0 H SER A 38 21.995 -29.172 -38.979 1.00 0.00 H new ATOM 0 HA SER A 38 21.071 -26.566 -37.968 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.295 -25.848 -39.036 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.430 -26.978 -37.703 1.00 0.00 H new ATOM 0 HG SER A 38 24.577 -28.082 -39.128 1.00 0.00 H new ATOM 566 N TRP A 39 20.683 -27.466 -41.049 1.00 0.00 N ATOM 567 CA TRP A 39 20.094 -27.119 -42.357 1.00 0.00 C ATOM 568 C TRP A 39 18.656 -27.644 -42.454 1.00 0.00 C ATOM 569 O TRP A 39 18.143 -28.300 -41.547 1.00 0.00 O ATOM 570 CB TRP A 39 20.949 -27.694 -43.524 1.00 0.00 C ATOM 571 CG TRP A 39 22.278 -27.004 -43.746 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.274 -26.782 -42.833 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.759 -26.476 -44.986 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.328 -26.142 -43.431 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.039 -25.948 -44.753 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.222 -26.398 -46.271 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.790 -25.356 -45.756 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.966 -25.814 -47.266 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.243 -25.299 -47.008 1.00 0.00 C ATOM 0 H TRP A 39 20.872 -28.462 -40.939 1.00 0.00 H new ATOM 0 HA TRP A 39 20.082 -26.032 -42.441 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.133 -28.751 -43.332 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.368 -27.634 -44.444 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.235 -27.070 -41.793 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.189 -25.856 -42.965 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.238 -26.790 -46.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.772 -24.954 -45.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.560 -25.751 -48.265 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.806 -24.849 -47.812 1.00 0.00 H new ATOM 590 N LYS A 40 17.993 -27.280 -43.555 1.00 0.00 N ATOM 591 CA LYS A 40 16.689 -27.822 -43.959 1.00 0.00 C ATOM 592 C LYS A 40 16.872 -28.536 -45.303 1.00 0.00 C ATOM 593 O LYS A 40 17.827 -28.275 -46.049 1.00 0.00 O ATOM 594 CB LYS A 40 15.602 -26.698 -44.049 1.00 0.00 C ATOM 595 CG LYS A 40 14.813 -26.396 -42.746 1.00 0.00 C ATOM 596 CD LYS A 40 15.682 -25.966 -41.538 1.00 0.00 C ATOM 597 CE LYS A 40 16.517 -24.696 -41.798 1.00 0.00 C ATOM 598 NZ LYS A 40 15.680 -23.502 -42.076 1.00 0.00 N ATOM 0 H LYS A 40 18.355 -26.584 -44.207 1.00 0.00 H new ATOM 0 HA LYS A 40 16.333 -28.528 -43.209 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.087 -25.778 -44.376 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.888 -26.974 -44.825 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.089 -25.608 -42.952 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.246 -27.285 -42.468 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.034 -25.795 -40.678 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.353 -26.784 -41.274 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.147 -24.498 -40.931 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.183 -24.872 -42.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.294 -22.679 -42.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.097 -23.676 -42.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.062 -23.314 -41.261 1.00 0.00 H new ATOM 612 N LYS A 41 15.949 -29.444 -45.589 1.00 0.00 N ATOM 613 CA LYS A 41 15.962 -30.287 -46.779 1.00 0.00 C ATOM 614 C LYS A 41 14.589 -30.205 -47.433 1.00 0.00 C ATOM 615 O LYS A 41 13.569 -30.491 -46.808 1.00 0.00 O ATOM 616 CB LYS A 41 16.343 -31.735 -46.364 1.00 0.00 C ATOM 617 CG LYS A 41 15.926 -32.874 -47.305 1.00 0.00 C ATOM 618 CD LYS A 41 16.554 -32.805 -48.702 1.00 0.00 C ATOM 619 CE LYS A 41 16.332 -34.107 -49.471 1.00 0.00 C ATOM 620 NZ LYS A 41 16.841 -35.274 -48.713 1.00 0.00 N ATOM 0 H LYS A 41 15.148 -29.620 -44.983 1.00 0.00 H new ATOM 0 HA LYS A 41 16.702 -29.953 -47.506 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.426 -31.777 -46.244 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.906 -31.930 -45.385 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.195 -33.825 -46.846 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.841 -32.865 -47.407 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.122 -31.973 -49.258 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.623 -32.609 -48.614 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.268 -34.237 -49.671 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.834 -34.051 -50.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.527 -35.794 -49.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.305 -34.947 -47.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.049 -35.902 -48.468 1.00 0.00 H new ATOM 634 N LEU A 42 14.593 -29.782 -48.693 1.00 0.00 N ATOM 635 CA LEU A 42 13.409 -29.674 -49.537 1.00 0.00 C ATOM 636 C LEU A 42 13.650 -30.472 -50.826 1.00 0.00 C ATOM 637 O LEU A 42 14.786 -30.621 -51.283 1.00 0.00 O ATOM 638 CB LEU A 42 13.103 -28.157 -49.797 1.00 0.00 C ATOM 639 CG LEU A 42 12.028 -27.788 -50.893 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.285 -26.474 -50.554 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.668 -27.671 -52.295 1.00 0.00 C ATOM 0 H LEU A 42 15.448 -29.496 -49.170 1.00 0.00 H new ATOM 0 HA LEU A 42 12.529 -30.098 -49.052 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.781 -27.716 -48.854 1.00 0.00 H new ATOM 0 HB3 LEU A 42 14.039 -27.671 -50.073 1.00 0.00 H new ATOM 0 HG LEU A 42 11.304 -28.603 -50.900 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.555 -26.257 -51.334 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.773 -26.582 -49.598 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.003 -25.656 -50.492 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.900 -27.416 -53.025 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.430 -26.892 -52.283 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.126 -28.622 -52.567 1.00 0.00 H new ATOM 653 N PHE A 43 12.557 -30.986 -51.383 1.00 0.00 N ATOM 654 CA PHE A 43 12.516 -31.676 -52.673 1.00 0.00 C ATOM 655 C PHE A 43 11.282 -31.185 -53.445 1.00 0.00 C ATOM 656 O PHE A 43 10.251 -30.884 -52.840 1.00 0.00 O ATOM 657 CB PHE A 43 12.456 -33.207 -52.425 1.00 0.00 C ATOM 658 CG PHE A 43 12.209 -34.057 -53.674 1.00 0.00 C ATOM 659 CD1 PHE A 43 13.091 -34.027 -54.759 1.00 0.00 C ATOM 660 CD2 PHE A 43 11.082 -34.881 -53.766 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.856 -34.785 -55.892 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.852 -35.642 -54.900 1.00 0.00 C ATOM 663 CZ PHE A 43 11.736 -35.593 -55.962 1.00 0.00 C ATOM 0 H PHE A 43 11.642 -30.933 -50.935 1.00 0.00 H new ATOM 0 HA PHE A 43 13.407 -31.462 -53.263 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.394 -33.523 -51.969 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.666 -33.412 -51.703 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.970 -33.402 -54.711 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.384 -34.924 -52.943 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.547 -34.746 -56.721 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.979 -36.276 -54.955 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.552 -36.186 -56.846 1.00 0.00 H new ATOM 673 N TYR A 44 11.406 -31.089 -54.774 1.00 0.00 N ATOM 674 CA TYR A 44 10.277 -30.750 -55.669 1.00 0.00 C ATOM 675 C TYR A 44 9.742 -32.034 -56.365 1.00 0.00 C ATOM 676 O TYR A 44 10.309 -32.475 -57.375 1.00 0.00 O ATOM 677 CB TYR A 44 10.720 -29.694 -56.719 1.00 0.00 C ATOM 678 CG TYR A 44 10.585 -28.228 -56.295 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.625 -27.554 -55.653 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.412 -27.520 -56.540 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.489 -26.233 -55.266 1.00 0.00 C ATOM 682 CE2 TYR A 44 9.276 -26.203 -56.159 1.00 0.00 C ATOM 683 CZ TYR A 44 10.313 -25.564 -55.520 1.00 0.00 C ATOM 684 OH TYR A 44 10.171 -24.253 -55.123 1.00 0.00 O ATOM 0 H TYR A 44 12.287 -31.242 -55.265 1.00 0.00 H new ATOM 0 HA TYR A 44 9.470 -30.320 -55.075 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.762 -29.882 -56.977 1.00 0.00 H new ATOM 0 HB3 TYR A 44 10.135 -29.845 -57.626 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.551 -28.073 -55.455 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.591 -28.013 -57.039 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.303 -25.728 -54.766 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.357 -25.673 -56.362 1.00 0.00 H new ATOM 0 HH TYR A 44 9.283 -23.928 -55.379 1.00 0.00 H new ATOM 694 N PRO A 45 8.651 -32.675 -55.829 1.00 0.00 N ATOM 695 CA PRO A 45 8.012 -33.844 -56.475 1.00 0.00 C ATOM 696 C PRO A 45 7.025 -33.420 -57.575 1.00 0.00 C ATOM 697 O PRO A 45 6.630 -32.251 -57.649 1.00 0.00 O ATOM 698 CB PRO A 45 7.285 -34.524 -55.288 1.00 0.00 C ATOM 699 CG PRO A 45 6.854 -33.372 -54.431 1.00 0.00 C ATOM 700 CD PRO A 45 7.958 -32.326 -54.558 1.00 0.00 C ATOM 0 HA PRO A 45 8.721 -34.497 -56.983 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.433 -35.114 -55.625 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.947 -35.200 -54.747 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.896 -32.973 -54.765 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.726 -33.682 -53.394 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.548 -31.317 -54.593 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.641 -32.363 -53.709 1.00 0.00 H new ATOM 852 N GLU A 55 14.854 -30.917 -58.966 1.00 0.00 N ATOM 853 CA GLU A 55 15.689 -31.715 -58.044 1.00 0.00 C ATOM 854 C GLU A 55 15.581 -31.185 -56.589 1.00 0.00 C ATOM 855 O GLU A 55 14.708 -30.365 -56.262 1.00 0.00 O ATOM 856 CB GLU A 55 17.183 -31.771 -58.529 1.00 0.00 C ATOM 857 CG GLU A 55 17.930 -30.411 -58.626 1.00 0.00 C ATOM 858 CD GLU A 55 17.880 -29.775 -60.027 1.00 0.00 C ATOM 859 OE1 GLU A 55 16.858 -29.173 -60.386 1.00 0.00 O ATOM 860 OE2 GLU A 55 18.870 -29.879 -60.783 1.00 0.00 O ATOM 0 HA GLU A 55 15.308 -32.736 -58.050 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.738 -32.418 -57.850 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.206 -32.244 -59.511 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.497 -29.717 -57.906 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.972 -30.558 -58.340 1.00 0.00 H new ATOM 867 N VAL A 56 16.481 -31.675 -55.732 1.00 0.00 N ATOM 868 CA VAL A 56 16.511 -31.360 -54.302 1.00 0.00 C ATOM 869 C VAL A 56 17.204 -30.003 -54.064 1.00 0.00 C ATOM 870 O VAL A 56 18.218 -29.695 -54.699 1.00 0.00 O ATOM 871 CB VAL A 56 17.278 -32.498 -53.537 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.604 -32.111 -52.078 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.509 -33.842 -53.605 1.00 0.00 C ATOM 0 H VAL A 56 17.223 -32.314 -56.019 1.00 0.00 H new ATOM 0 HA VAL A 56 15.489 -31.294 -53.929 1.00 0.00 H new ATOM 0 HB VAL A 56 18.232 -32.631 -54.048 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.134 -32.931 -51.594 1.00 0.00 H new ATOM 0 HG12 VAL A 56 18.230 -31.219 -52.069 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.678 -31.909 -51.540 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.067 -34.608 -53.066 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.526 -33.722 -53.151 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.393 -34.143 -54.646 1.00 0.00 H new ATOM 883 N VAL A 57 16.628 -29.209 -53.146 1.00 0.00 N ATOM 884 CA VAL A 57 17.164 -27.910 -52.705 1.00 0.00 C ATOM 885 C VAL A 57 17.350 -27.951 -51.167 1.00 0.00 C ATOM 886 O VAL A 57 16.376 -28.112 -50.429 1.00 0.00 O ATOM 887 CB VAL A 57 16.191 -26.730 -53.127 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.684 -25.347 -52.623 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.961 -26.717 -54.668 1.00 0.00 C ATOM 0 H VAL A 57 15.756 -29.458 -52.679 1.00 0.00 H new ATOM 0 HA VAL A 57 18.126 -27.725 -53.184 1.00 0.00 H new ATOM 0 HB VAL A 57 15.234 -26.920 -52.640 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.983 -24.574 -52.938 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.747 -25.358 -51.535 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.668 -25.137 -53.042 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.290 -25.898 -54.929 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.915 -26.581 -55.177 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.516 -27.663 -54.977 1.00 0.00 H new ATOM 899 N PHE A 58 18.609 -27.847 -50.697 1.00 0.00 N ATOM 900 CA PHE A 58 18.942 -27.810 -49.253 1.00 0.00 C ATOM 901 C PHE A 58 18.993 -26.354 -48.766 1.00 0.00 C ATOM 902 O PHE A 58 19.829 -25.586 -49.222 1.00 0.00 O ATOM 903 CB PHE A 58 20.306 -28.517 -48.969 1.00 0.00 C ATOM 904 CG PHE A 58 20.215 -30.023 -48.718 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.326 -30.941 -49.755 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.038 -30.518 -47.423 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.267 -32.300 -49.509 1.00 0.00 C ATOM 908 CE2 PHE A 58 19.975 -31.878 -47.185 1.00 0.00 C ATOM 909 CZ PHE A 58 20.093 -32.765 -48.228 1.00 0.00 C ATOM 0 H PHE A 58 19.426 -27.786 -51.305 1.00 0.00 H new ATOM 0 HA PHE A 58 18.164 -28.347 -48.710 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.970 -28.345 -49.816 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.768 -28.047 -48.101 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.460 -30.588 -50.767 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.949 -29.828 -46.597 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.358 -32.999 -50.327 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.833 -32.244 -46.179 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.049 -33.828 -48.041 1.00 0.00 H new ATOM 919 N VAL A 59 18.122 -25.999 -47.815 1.00 0.00 N ATOM 920 CA VAL A 59 18.050 -24.645 -47.247 1.00 0.00 C ATOM 921 C VAL A 59 19.146 -24.441 -46.185 1.00 0.00 C ATOM 922 O VAL A 59 19.312 -25.260 -45.279 1.00 0.00 O ATOM 923 CB VAL A 59 16.610 -24.358 -46.668 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.608 -23.257 -45.576 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.625 -24.003 -47.809 1.00 0.00 C ATOM 0 H VAL A 59 17.443 -26.646 -47.414 1.00 0.00 H new ATOM 0 HA VAL A 59 18.230 -23.924 -48.044 1.00 0.00 H new ATOM 0 HB VAL A 59 16.277 -25.276 -46.184 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.591 -23.104 -45.216 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.244 -23.566 -44.746 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.988 -22.326 -45.997 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.638 -23.809 -47.390 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.979 -23.114 -48.332 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.564 -24.836 -48.509 1.00 0.00 H new ATOM 935 N ALA A 60 19.865 -23.314 -46.320 1.00 0.00 N ATOM 936 CA ALA A 60 21.044 -22.977 -45.499 1.00 0.00 C ATOM 937 C ALA A 60 20.645 -22.225 -44.208 1.00 0.00 C ATOM 938 O ALA A 60 19.563 -21.621 -44.160 1.00 0.00 O ATOM 939 CB ALA A 60 22.028 -22.139 -46.338 1.00 0.00 C ATOM 0 H ALA A 60 19.641 -22.600 -47.013 1.00 0.00 H new ATOM 0 HA ALA A 60 21.528 -23.904 -45.191 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.900 -21.889 -45.734 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.343 -22.713 -47.210 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.538 -21.222 -46.665 1.00 0.00 H new ATOM 945 N PRO A 61 21.529 -22.227 -43.148 1.00 0.00 N ATOM 946 CA PRO A 61 21.263 -21.504 -41.870 1.00 0.00 C ATOM 947 C PRO A 61 21.280 -19.963 -42.026 1.00 0.00 C ATOM 948 O PRO A 61 20.759 -19.236 -41.169 1.00 0.00 O ATOM 949 CB PRO A 61 22.407 -21.997 -40.938 1.00 0.00 C ATOM 950 CG PRO A 61 23.514 -22.377 -41.873 1.00 0.00 C ATOM 951 CD PRO A 61 22.829 -22.963 -43.087 1.00 0.00 C ATOM 0 HA PRO A 61 20.265 -21.713 -41.484 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.722 -21.215 -40.247 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.089 -22.846 -40.334 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.116 -21.509 -42.142 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.186 -23.101 -41.413 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.418 -22.812 -43.992 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.677 -24.037 -42.982 1.00 0.00 H new ATOM 959 N THR A 62 21.900 -19.479 -43.116 1.00 0.00 N ATOM 960 CA THR A 62 21.932 -18.043 -43.461 1.00 0.00 C ATOM 961 C THR A 62 20.701 -17.644 -44.314 1.00 0.00 C ATOM 962 O THR A 62 20.443 -16.454 -44.515 1.00 0.00 O ATOM 963 CB THR A 62 23.263 -17.675 -44.209 1.00 0.00 C ATOM 964 OG1 THR A 62 23.360 -16.251 -44.392 1.00 0.00 O ATOM 965 CG2 THR A 62 23.376 -18.375 -45.576 1.00 0.00 C ATOM 0 H THR A 62 22.394 -20.071 -43.784 1.00 0.00 H new ATOM 0 HA THR A 62 21.895 -17.479 -42.529 1.00 0.00 H new ATOM 0 HB THR A 62 24.084 -18.024 -43.583 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.464 -15.856 -44.362 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.313 -18.089 -46.055 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.356 -19.456 -45.434 1.00 0.00 H new ATOM 0 HG23 THR A 62 22.540 -18.076 -46.208 1.00 0.00 H new ATOM 973 N GLY A 63 19.941 -18.652 -44.806 1.00 0.00 N ATOM 974 CA GLY A 63 18.776 -18.416 -45.672 1.00 0.00 C ATOM 975 C GLY A 63 19.098 -18.544 -47.167 1.00 0.00 C ATOM 976 O GLY A 63 18.209 -18.843 -47.975 1.00 0.00 O ATOM 0 H GLY A 63 20.121 -19.637 -44.613 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.990 -19.126 -45.414 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.382 -17.419 -45.476 1.00 0.00 H new ATOM 980 N GLU A 64 20.378 -18.314 -47.528 1.00 0.00 N ATOM 981 CA GLU A 64 20.900 -18.507 -48.898 1.00 0.00 C ATOM 982 C GLU A 64 21.016 -20.014 -49.203 1.00 0.00 C ATOM 983 O GLU A 64 22.071 -20.632 -48.999 1.00 0.00 O ATOM 984 CB GLU A 64 22.275 -17.795 -49.034 1.00 0.00 C ATOM 985 CG GLU A 64 22.996 -17.986 -50.383 1.00 0.00 C ATOM 986 CD GLU A 64 24.385 -17.332 -50.399 1.00 0.00 C ATOM 987 OE1 GLU A 64 24.509 -16.186 -50.872 1.00 0.00 O ATOM 988 OE2 GLU A 64 25.364 -17.960 -49.925 1.00 0.00 O ATOM 0 H GLU A 64 21.085 -17.986 -46.870 1.00 0.00 H new ATOM 0 HA GLU A 64 20.214 -18.068 -49.623 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.129 -16.728 -48.869 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.929 -18.153 -48.239 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.096 -19.051 -50.591 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.387 -17.561 -51.181 1.00 0.00 H new ATOM 995 N GLU A 65 19.886 -20.591 -49.627 1.00 0.00 N ATOM 996 CA GLU A 65 19.749 -22.029 -49.916 1.00 0.00 C ATOM 997 C GLU A 65 20.614 -22.463 -51.109 1.00 0.00 C ATOM 998 O GLU A 65 21.035 -21.652 -51.937 1.00 0.00 O ATOM 999 CB GLU A 65 18.255 -22.418 -50.175 1.00 0.00 C ATOM 1000 CG GLU A 65 17.602 -21.842 -51.457 1.00 0.00 C ATOM 1001 CD GLU A 65 17.395 -20.323 -51.405 1.00 0.00 C ATOM 1002 OE1 GLU A 65 18.231 -19.574 -51.955 1.00 0.00 O ATOM 1003 OE2 GLU A 65 16.413 -19.876 -50.783 1.00 0.00 O ATOM 0 H GLU A 65 19.025 -20.066 -49.782 1.00 0.00 H new ATOM 0 HA GLU A 65 20.103 -22.557 -49.031 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.188 -23.505 -50.217 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.665 -22.095 -49.317 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.227 -22.087 -52.316 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.639 -22.327 -51.615 1.00 0.00 H new ATOM 1010 N ILE A 66 20.875 -23.758 -51.148 1.00 0.00 N ATOM 1011 CA ILE A 66 21.627 -24.435 -52.197 1.00 0.00 C ATOM 1012 C ILE A 66 20.645 -25.162 -53.130 1.00 0.00 C ATOM 1013 O ILE A 66 19.837 -25.962 -52.658 1.00 0.00 O ATOM 1014 CB ILE A 66 22.598 -25.465 -51.539 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.633 -24.752 -50.600 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.276 -26.361 -52.585 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.428 -23.620 -51.224 1.00 0.00 C ATOM 0 H ILE A 66 20.556 -24.396 -50.419 1.00 0.00 H new ATOM 0 HA ILE A 66 22.203 -23.712 -52.775 1.00 0.00 H new ATOM 0 HB ILE A 66 22.001 -26.126 -50.911 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.099 -24.360 -49.735 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.334 -25.501 -50.230 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.943 -27.063 -52.085 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.516 -26.913 -53.138 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.850 -25.744 -53.276 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.110 -23.203 -50.483 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.000 -24.000 -52.070 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.746 -22.842 -51.567 1.00 0.00 H new ATOM 1029 N SER A 67 20.750 -24.918 -54.448 1.00 0.00 N ATOM 1030 CA SER A 67 19.798 -25.456 -55.438 1.00 0.00 C ATOM 1031 C SER A 67 20.340 -26.735 -56.106 1.00 0.00 C ATOM 1032 O SER A 67 19.562 -27.608 -56.512 1.00 0.00 O ATOM 1033 CB SER A 67 19.495 -24.367 -56.494 1.00 0.00 C ATOM 1034 OG SER A 67 19.013 -23.178 -55.874 1.00 0.00 O ATOM 0 H SER A 67 21.491 -24.347 -54.855 1.00 0.00 H new ATOM 0 HA SER A 67 18.876 -25.731 -54.926 1.00 0.00 H new ATOM 0 HB2 SER A 67 20.398 -24.145 -57.063 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.755 -24.738 -57.203 1.00 0.00 H new ATOM 0 HG SER A 67 18.830 -22.503 -56.560 1.00 0.00 H new ATOM 1040 N ASN A 68 21.678 -26.835 -56.224 1.00 0.00 N ATOM 1041 CA ASN A 68 22.348 -27.992 -56.860 1.00 0.00 C ATOM 1042 C ASN A 68 23.542 -28.453 -56.013 1.00 0.00 C ATOM 1043 O ASN A 68 24.108 -27.678 -55.247 1.00 0.00 O ATOM 1044 CB ASN A 68 22.795 -27.649 -58.309 1.00 0.00 C ATOM 1045 CG ASN A 68 23.719 -26.433 -58.389 1.00 0.00 C ATOM 1046 OD1 ASN A 68 23.264 -25.311 -58.567 1.00 0.00 O ATOM 1047 ND2 ASN A 68 25.014 -26.644 -58.237 1.00 0.00 N ATOM 0 H ASN A 68 22.324 -26.122 -55.884 1.00 0.00 H new ATOM 0 HA ASN A 68 21.632 -28.812 -56.918 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.305 -28.512 -58.738 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.911 -27.465 -58.920 1.00 0.00 H new ATOM 0 HD21 ASN A 68 25.665 -25.860 -58.266 1.00 0.00 H new ATOM 0 HD22 ASN A 68 25.363 -27.591 -58.090 1.00 0.00 H new ATOM 1054 N ARG A 69 23.955 -29.707 -56.232 1.00 0.00 N ATOM 1055 CA ARG A 69 24.915 -30.431 -55.369 1.00 0.00 C ATOM 1056 C ARG A 69 26.329 -29.797 -55.365 1.00 0.00 C ATOM 1057 O ARG A 69 27.053 -29.876 -54.365 1.00 0.00 O ATOM 1058 CB ARG A 69 24.963 -31.898 -55.850 1.00 0.00 C ATOM 1059 CG ARG A 69 25.653 -32.880 -54.890 1.00 0.00 C ATOM 1060 CD ARG A 69 25.614 -34.320 -55.410 1.00 0.00 C ATOM 1061 NE ARG A 69 24.236 -34.786 -55.644 1.00 0.00 N ATOM 1062 CZ ARG A 69 23.899 -35.996 -56.108 1.00 0.00 C ATOM 1063 NH1 ARG A 69 24.828 -36.907 -56.369 1.00 0.00 N ATOM 1064 NH2 ARG A 69 22.627 -36.285 -56.316 1.00 0.00 N ATOM 0 H ARG A 69 23.631 -30.262 -57.024 1.00 0.00 H new ATOM 0 HA ARG A 69 24.573 -30.371 -54.336 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.943 -32.240 -56.023 1.00 0.00 H new ATOM 0 HB3 ARG A 69 25.477 -31.932 -56.810 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.690 -32.576 -54.745 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.168 -32.834 -53.915 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.181 -34.385 -56.338 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.102 -34.978 -54.691 1.00 0.00 H new ATOM 0 HE ARG A 69 23.479 -34.135 -55.436 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.813 -36.689 -56.216 1.00 0.00 H new ATOM 0 HH12 ARG A 69 24.557 -37.825 -56.722 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.908 -35.588 -56.123 1.00 0.00 H new ATOM 0 HH22 ARG A 69 22.364 -37.205 -56.669 1.00 0.00 H new ATOM 1078 N LYS A 70 26.697 -29.173 -56.496 1.00 0.00 N ATOM 1079 CA LYS A 70 27.977 -28.445 -56.645 1.00 0.00 C ATOM 1080 C LYS A 70 28.003 -27.241 -55.668 1.00 0.00 C ATOM 1081 O LYS A 70 28.991 -27.051 -54.940 1.00 0.00 O ATOM 1082 CB LYS A 70 28.154 -27.993 -58.136 1.00 0.00 C ATOM 1083 CG LYS A 70 29.597 -27.617 -58.592 1.00 0.00 C ATOM 1084 CD LYS A 70 30.147 -26.309 -57.967 1.00 0.00 C ATOM 1085 CE LYS A 70 31.552 -25.951 -58.456 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.540 -27.020 -58.157 1.00 0.00 N ATOM 0 H LYS A 70 26.118 -29.157 -57.336 1.00 0.00 H new ATOM 0 HA LYS A 70 28.814 -29.097 -56.394 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.793 -28.796 -58.779 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.508 -27.132 -58.308 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.270 -28.437 -58.339 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.608 -27.519 -59.678 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.468 -25.489 -58.201 1.00 0.00 H new ATOM 0 HD3 LYS A 70 30.162 -26.411 -56.882 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.526 -25.773 -59.531 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.872 -25.021 -57.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.497 -26.681 -58.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.488 -27.268 -57.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 32.327 -27.860 -58.732 1.00 0.00 H new ATOM 1100 N GLN A 71 26.890 -26.454 -55.656 1.00 0.00 N ATOM 1101 CA GLN A 71 26.729 -25.264 -54.774 1.00 0.00 C ATOM 1102 C GLN A 71 26.936 -25.625 -53.292 1.00 0.00 C ATOM 1103 O GLN A 71 27.434 -24.808 -52.525 1.00 0.00 O ATOM 1104 CB GLN A 71 25.333 -24.591 -54.943 1.00 0.00 C ATOM 1105 CG GLN A 71 25.149 -23.715 -56.189 1.00 0.00 C ATOM 1106 CD GLN A 71 23.765 -23.044 -56.260 1.00 0.00 C ATOM 1107 OE1 GLN A 71 23.120 -22.794 -55.234 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.304 -22.736 -57.464 1.00 0.00 N ATOM 0 H GLN A 71 26.083 -26.627 -56.255 1.00 0.00 H new ATOM 0 HA GLN A 71 27.498 -24.556 -55.083 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.575 -25.374 -54.960 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.139 -23.979 -54.062 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.920 -22.945 -56.201 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.295 -24.326 -57.080 1.00 0.00 H new ATOM 0 HE21 GLN A 71 23.857 -22.954 -58.293 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.396 -22.281 -57.562 1.00 0.00 H new ATOM 1117 N LEU A 72 26.551 -26.860 -52.918 1.00 0.00 N ATOM 1118 CA LEU A 72 26.667 -27.357 -51.530 1.00 0.00 C ATOM 1119 C LEU A 72 28.151 -27.359 -51.104 1.00 0.00 C ATOM 1120 O LEU A 72 28.514 -26.757 -50.101 1.00 0.00 O ATOM 1121 CB LEU A 72 26.032 -28.792 -51.416 1.00 0.00 C ATOM 1122 CG LEU A 72 25.455 -29.233 -50.021 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.511 -29.282 -48.903 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.262 -28.344 -49.629 1.00 0.00 C ATOM 0 H LEU A 72 26.152 -27.540 -53.565 1.00 0.00 H new ATOM 0 HA LEU A 72 26.120 -26.698 -50.856 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.227 -28.860 -52.148 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.791 -29.518 -51.708 1.00 0.00 H new ATOM 0 HG LEU A 72 25.110 -30.260 -50.138 1.00 0.00 H new ATOM 0 HD11 LEU A 72 26.040 -29.594 -47.971 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.292 -29.994 -49.171 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.951 -28.293 -48.774 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.874 -28.662 -48.661 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.587 -27.306 -49.566 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.479 -28.434 -50.381 1.00 0.00 H new ATOM 1136 N GLU A 73 28.987 -28.003 -51.932 1.00 0.00 N ATOM 1137 CA GLU A 73 30.418 -28.222 -51.646 1.00 0.00 C ATOM 1138 C GLU A 73 31.213 -26.896 -51.660 1.00 0.00 C ATOM 1139 O GLU A 73 32.058 -26.655 -50.774 1.00 0.00 O ATOM 1140 CB GLU A 73 30.985 -29.231 -52.678 1.00 0.00 C ATOM 1141 CG GLU A 73 30.255 -30.589 -52.679 1.00 0.00 C ATOM 1142 CD GLU A 73 30.797 -31.570 -53.732 1.00 0.00 C ATOM 1143 OE1 GLU A 73 30.334 -31.530 -54.895 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.696 -32.379 -53.410 1.00 0.00 O ATOM 0 H GLU A 73 28.689 -28.391 -52.827 1.00 0.00 H new ATOM 0 HA GLU A 73 30.522 -28.633 -50.642 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.922 -28.793 -53.674 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.042 -29.396 -52.469 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.343 -31.042 -51.691 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.193 -30.423 -52.860 1.00 0.00 H new ATOM 1151 N GLN A 74 30.930 -26.026 -52.657 1.00 0.00 N ATOM 1152 CA GLN A 74 31.607 -24.717 -52.775 1.00 0.00 C ATOM 1153 C GLN A 74 31.139 -23.748 -51.669 1.00 0.00 C ATOM 1154 O GLN A 74 31.855 -22.805 -51.330 1.00 0.00 O ATOM 1155 CB GLN A 74 31.465 -24.107 -54.214 1.00 0.00 C ATOM 1156 CG GLN A 74 30.030 -23.822 -54.727 1.00 0.00 C ATOM 1157 CD GLN A 74 29.435 -22.469 -54.306 1.00 0.00 C ATOM 1158 OE1 GLN A 74 28.761 -22.357 -53.286 1.00 0.00 O ATOM 1159 NE2 GLN A 74 29.698 -21.434 -55.089 1.00 0.00 N ATOM 0 H GLN A 74 30.241 -26.207 -53.387 1.00 0.00 H new ATOM 0 HA GLN A 74 32.674 -24.881 -52.624 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.025 -23.172 -54.241 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.946 -24.787 -54.917 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.035 -23.874 -55.816 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.372 -24.615 -54.373 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.261 -21.561 -55.930 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.337 -20.510 -54.851 1.00 0.00 H new ATOM 1168 N TYR A 75 29.936 -24.000 -51.105 1.00 0.00 N ATOM 1169 CA TYR A 75 29.431 -23.266 -49.927 1.00 0.00 C ATOM 1170 C TYR A 75 30.239 -23.663 -48.679 1.00 0.00 C ATOM 1171 O TYR A 75 30.590 -22.805 -47.869 1.00 0.00 O ATOM 1172 CB TYR A 75 27.917 -23.557 -49.706 1.00 0.00 C ATOM 1173 CG TYR A 75 27.260 -22.781 -48.546 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.526 -21.612 -48.775 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.380 -23.219 -47.221 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.941 -20.920 -47.730 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.800 -22.528 -46.183 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.085 -21.387 -46.437 1.00 0.00 C ATOM 1179 OH TYR A 75 25.506 -20.712 -45.393 1.00 0.00 O ATOM 0 H TYR A 75 29.294 -24.713 -51.452 1.00 0.00 H new ATOM 0 HA TYR A 75 29.550 -22.197 -50.103 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.381 -23.325 -50.626 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.792 -24.624 -49.525 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.414 -21.244 -49.784 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.940 -24.118 -47.010 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.375 -20.020 -47.923 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.908 -22.884 -45.169 1.00 0.00 H new ATOM 0 HH TYR A 75 25.704 -21.176 -44.553 1.00 0.00 H new ATOM 1189 N LEU A 76 30.511 -24.981 -48.537 1.00 0.00 N ATOM 1190 CA LEU A 76 31.203 -25.544 -47.351 1.00 0.00 C ATOM 1191 C LEU A 76 32.649 -25.017 -47.229 1.00 0.00 C ATOM 1192 O LEU A 76 33.154 -24.850 -46.115 1.00 0.00 O ATOM 1193 CB LEU A 76 31.199 -27.100 -47.383 1.00 0.00 C ATOM 1194 CG LEU A 76 29.803 -27.801 -47.393 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.955 -29.341 -47.369 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.894 -27.297 -46.246 1.00 0.00 C ATOM 0 H LEU A 76 30.260 -25.681 -49.235 1.00 0.00 H new ATOM 0 HA LEU A 76 30.648 -25.213 -46.473 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.748 -27.423 -48.268 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.753 -27.459 -46.516 1.00 0.00 H new ATOM 0 HG LEU A 76 29.308 -27.531 -48.326 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.968 -29.804 -47.376 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.515 -29.665 -48.246 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.489 -29.640 -46.467 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.934 -27.811 -46.290 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.371 -27.501 -45.287 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.737 -26.224 -46.351 1.00 0.00 H new ATOM 1208 N LYS A 77 33.318 -24.775 -48.378 1.00 0.00 N ATOM 1209 CA LYS A 77 34.670 -24.167 -48.382 1.00 0.00 C ATOM 1210 C LYS A 77 34.605 -22.634 -48.200 1.00 0.00 C ATOM 1211 O LYS A 77 35.515 -22.036 -47.607 1.00 0.00 O ATOM 1212 CB LYS A 77 35.469 -24.523 -49.668 1.00 0.00 C ATOM 1213 CG LYS A 77 34.848 -24.037 -51.005 1.00 0.00 C ATOM 1214 CD LYS A 77 35.903 -23.793 -52.113 1.00 0.00 C ATOM 1215 CE LYS A 77 36.820 -25.007 -52.357 1.00 0.00 C ATOM 1216 NZ LYS A 77 37.878 -24.716 -53.356 1.00 0.00 N ATOM 0 H LYS A 77 32.950 -24.988 -49.305 1.00 0.00 H new ATOM 0 HA LYS A 77 35.201 -24.593 -47.530 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.470 -24.101 -49.580 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.583 -25.606 -49.714 1.00 0.00 H new ATOM 0 HG2 LYS A 77 34.128 -24.777 -51.354 1.00 0.00 H new ATOM 0 HG3 LYS A 77 34.296 -23.114 -50.828 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.392 -23.539 -53.042 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.515 -22.933 -51.840 1.00 0.00 H new ATOM 0 HE2 LYS A 77 37.283 -25.306 -51.416 1.00 0.00 H new ATOM 0 HE3 LYS A 77 36.221 -25.850 -52.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 38.471 -25.560 -53.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 37.438 -24.456 -54.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 38.467 -23.928 -53.018 1.00 0.00 H new ATOM 1230 N SER A 78 33.530 -22.006 -48.723 1.00 0.00 N ATOM 1231 CA SER A 78 33.309 -20.542 -48.608 1.00 0.00 C ATOM 1232 C SER A 78 32.942 -20.153 -47.167 1.00 0.00 C ATOM 1233 O SER A 78 33.251 -19.048 -46.697 1.00 0.00 O ATOM 1234 CB SER A 78 32.182 -20.105 -49.572 1.00 0.00 C ATOM 1235 OG SER A 78 31.948 -18.704 -49.526 1.00 0.00 O ATOM 0 H SER A 78 32.794 -22.493 -49.234 1.00 0.00 H new ATOM 0 HA SER A 78 34.235 -20.033 -48.876 1.00 0.00 H new ATOM 0 HB2 SER A 78 32.444 -20.394 -50.590 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.263 -20.633 -49.317 1.00 0.00 H new ATOM 0 HG SER A 78 31.230 -18.472 -50.151 1.00 0.00 H new ATOM 1241 N HIS A 79 32.293 -21.096 -46.476 1.00 0.00 N ATOM 1242 CA HIS A 79 31.811 -20.939 -45.100 1.00 0.00 C ATOM 1243 C HIS A 79 31.994 -22.278 -44.365 1.00 0.00 C ATOM 1244 O HIS A 79 31.088 -23.124 -44.382 1.00 0.00 O ATOM 1245 CB HIS A 79 30.323 -20.469 -45.076 1.00 0.00 C ATOM 1246 CG HIS A 79 30.128 -19.052 -45.544 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.483 -18.713 -46.712 1.00 0.00 N ATOM 1248 CD2 HIS A 79 30.520 -17.881 -44.986 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.503 -17.399 -46.855 1.00 0.00 C ATOM 1250 NE2 HIS A 79 30.122 -16.874 -45.822 1.00 0.00 N ATOM 0 H HIS A 79 32.083 -22.014 -46.869 1.00 0.00 H new ATOM 0 HA HIS A 79 32.388 -20.167 -44.592 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.731 -21.134 -45.704 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.938 -20.563 -44.061 1.00 0.00 H new ATOM 0 HD2 HIS A 79 31.050 -17.764 -44.052 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.081 -16.849 -47.683 1.00 0.00 H new ATOM 0 HE2 HIS A 79 30.280 -15.878 -45.668 1.00 0.00 H new ATOM 1259 N PRO A 80 33.215 -22.526 -43.777 1.00 0.00 N ATOM 1260 CA PRO A 80 33.466 -23.712 -42.926 1.00 0.00 C ATOM 1261 C PRO A 80 32.672 -23.645 -41.606 1.00 0.00 C ATOM 1262 O PRO A 80 32.179 -22.578 -41.220 1.00 0.00 O ATOM 1263 CB PRO A 80 35.001 -23.675 -42.691 1.00 0.00 C ATOM 1264 CG PRO A 80 35.377 -22.233 -42.861 1.00 0.00 C ATOM 1265 CD PRO A 80 34.444 -21.693 -43.927 1.00 0.00 C ATOM 0 HA PRO A 80 33.140 -24.643 -43.390 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.258 -24.037 -41.695 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.527 -24.308 -43.406 1.00 0.00 H new ATOM 0 HG2 PRO A 80 35.263 -21.685 -41.926 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.419 -22.132 -43.164 1.00 0.00 H new ATOM 0 HD2 PRO A 80 34.232 -20.635 -43.774 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.875 -21.791 -44.923 1.00 0.00 H new ATOM 1273 N GLY A 81 32.542 -24.797 -40.930 1.00 0.00 N ATOM 1274 CA GLY A 81 31.702 -24.914 -39.734 1.00 0.00 C ATOM 1275 C GLY A 81 30.371 -25.584 -40.056 1.00 0.00 C ATOM 1276 O GLY A 81 29.796 -26.274 -39.207 1.00 0.00 O ATOM 0 H GLY A 81 33.011 -25.663 -41.195 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.227 -25.491 -38.973 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.521 -23.924 -39.315 1.00 0.00 H new ATOM 1280 N ASN A 82 29.889 -25.370 -41.295 1.00 0.00 N ATOM 1281 CA ASN A 82 28.678 -26.030 -41.825 1.00 0.00 C ATOM 1282 C ASN A 82 28.915 -27.556 -41.990 1.00 0.00 C ATOM 1283 O ASN A 82 30.037 -27.971 -42.317 1.00 0.00 O ATOM 1284 CB ASN A 82 28.252 -25.384 -43.181 1.00 0.00 C ATOM 1285 CG ASN A 82 27.641 -23.993 -42.997 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.429 -23.860 -42.851 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.469 -22.954 -43.004 1.00 0.00 N ATOM 0 H ASN A 82 30.329 -24.733 -41.959 1.00 0.00 H new ATOM 0 HA ASN A 82 27.867 -25.888 -41.111 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.121 -25.313 -43.835 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.530 -26.032 -43.679 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.103 -22.009 -42.886 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.471 -23.101 -43.128 1.00 0.00 H new ATOM 1294 N PRO A 83 27.869 -28.411 -41.743 1.00 0.00 N ATOM 1295 CA PRO A 83 28.003 -29.888 -41.787 1.00 0.00 C ATOM 1296 C PRO A 83 28.365 -30.419 -43.191 1.00 0.00 C ATOM 1297 O PRO A 83 28.061 -29.789 -44.214 1.00 0.00 O ATOM 1298 CB PRO A 83 26.613 -30.395 -41.316 1.00 0.00 C ATOM 1299 CG PRO A 83 25.681 -29.272 -41.631 1.00 0.00 C ATOM 1300 CD PRO A 83 26.479 -28.009 -41.406 1.00 0.00 C ATOM 0 HA PRO A 83 28.821 -30.242 -41.159 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.326 -31.308 -41.838 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.614 -30.624 -40.250 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.326 -29.334 -42.660 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.801 -29.300 -40.988 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.131 -27.196 -42.043 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.400 -27.663 -40.375 1.00 0.00 H new ATOM 1308 N ALA A 84 29.010 -31.596 -43.194 1.00 0.00 N ATOM 1309 CA ALA A 84 29.550 -32.238 -44.401 1.00 0.00 C ATOM 1310 C ALA A 84 28.427 -32.771 -45.302 1.00 0.00 C ATOM 1311 O ALA A 84 27.411 -33.241 -44.806 1.00 0.00 O ATOM 1312 CB ALA A 84 30.511 -33.377 -43.998 1.00 0.00 C ATOM 0 H ALA A 84 29.173 -32.136 -42.344 1.00 0.00 H new ATOM 0 HA ALA A 84 30.100 -31.490 -44.973 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.910 -33.851 -44.895 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.332 -32.969 -43.408 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.971 -34.116 -43.406 1.00 0.00 H new ATOM 1318 N ILE A 85 28.643 -32.733 -46.631 1.00 0.00 N ATOM 1319 CA ILE A 85 27.655 -33.194 -47.638 1.00 0.00 C ATOM 1320 C ILE A 85 27.392 -34.723 -47.529 1.00 0.00 C ATOM 1321 O ILE A 85 26.400 -35.230 -48.063 1.00 0.00 O ATOM 1322 CB ILE A 85 28.099 -32.790 -49.104 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.943 -33.035 -50.140 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.411 -33.501 -49.525 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.227 -32.551 -51.554 1.00 0.00 C ATOM 0 H ILE A 85 29.508 -32.382 -47.042 1.00 0.00 H new ATOM 0 HA ILE A 85 26.714 -32.688 -47.424 1.00 0.00 H new ATOM 0 HB ILE A 85 28.308 -31.720 -49.097 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.728 -34.103 -50.175 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.042 -32.541 -49.778 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.681 -33.197 -50.536 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.211 -33.226 -48.838 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.265 -34.581 -49.498 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.369 -32.766 -52.191 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.409 -31.476 -51.541 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.106 -33.063 -51.944 1.00 0.00 H new ATOM 1337 N ALA A 86 28.276 -35.429 -46.793 1.00 0.00 N ATOM 1338 CA ALA A 86 28.142 -36.872 -46.490 1.00 0.00 C ATOM 1339 C ALA A 86 26.775 -37.221 -45.852 1.00 0.00 C ATOM 1340 O ALA A 86 26.174 -38.252 -46.179 1.00 0.00 O ATOM 1341 CB ALA A 86 29.292 -37.324 -45.569 1.00 0.00 C ATOM 0 H ALA A 86 29.113 -35.010 -46.387 1.00 0.00 H new ATOM 0 HA ALA A 86 28.196 -37.409 -47.437 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.187 -38.387 -45.350 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.246 -37.148 -46.066 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.257 -36.757 -44.639 1.00 0.00 H new ATOM 1347 N GLU A 87 26.295 -36.351 -44.941 1.00 0.00 N ATOM 1348 CA GLU A 87 24.986 -36.523 -44.259 1.00 0.00 C ATOM 1349 C GLU A 87 23.830 -35.924 -45.095 1.00 0.00 C ATOM 1350 O GLU A 87 22.658 -36.239 -44.851 1.00 0.00 O ATOM 1351 CB GLU A 87 25.031 -35.892 -42.839 1.00 0.00 C ATOM 1352 CG GLU A 87 25.465 -34.419 -42.814 1.00 0.00 C ATOM 1353 CD GLU A 87 25.631 -33.853 -41.401 1.00 0.00 C ATOM 1354 OE1 GLU A 87 24.633 -33.420 -40.786 1.00 0.00 O ATOM 1355 OE2 GLU A 87 26.772 -33.852 -40.884 1.00 0.00 O ATOM 0 H GLU A 87 26.798 -35.511 -44.655 1.00 0.00 H new ATOM 0 HA GLU A 87 24.795 -37.591 -44.158 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.043 -35.975 -42.386 1.00 0.00 H new ATOM 0 HB3 GLU A 87 25.716 -36.471 -42.219 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.409 -34.318 -43.350 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.728 -33.822 -43.351 1.00 0.00 H new ATOM 1362 N PHE A 88 24.168 -35.048 -46.063 1.00 0.00 N ATOM 1363 CA PHE A 88 23.180 -34.428 -46.971 1.00 0.00 C ATOM 1364 C PHE A 88 22.772 -35.441 -48.046 1.00 0.00 C ATOM 1365 O PHE A 88 23.569 -35.767 -48.938 1.00 0.00 O ATOM 1366 CB PHE A 88 23.766 -33.154 -47.646 1.00 0.00 C ATOM 1367 CG PHE A 88 23.975 -31.964 -46.715 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.510 -30.709 -47.059 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.635 -32.099 -45.499 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.701 -29.631 -46.230 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.824 -31.020 -44.671 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.356 -29.785 -45.037 1.00 0.00 C ATOM 0 H PHE A 88 25.128 -34.751 -46.237 1.00 0.00 H new ATOM 0 HA PHE A 88 22.308 -34.135 -46.387 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.722 -33.411 -48.102 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.099 -32.851 -48.453 1.00 0.00 H new ATOM 0 HD1 PHE A 88 22.988 -30.574 -47.995 1.00 0.00 H new ATOM 0 HD2 PHE A 88 25.005 -33.069 -45.201 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.333 -28.658 -46.520 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.341 -31.145 -43.731 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.503 -28.936 -44.387 1.00 0.00 H new ATOM 1382 N ASP A 89 21.537 -35.935 -47.958 1.00 0.00 N ATOM 1383 CA ASP A 89 21.019 -36.947 -48.881 1.00 0.00 C ATOM 1384 C ASP A 89 20.249 -36.262 -50.024 1.00 0.00 C ATOM 1385 O ASP A 89 19.318 -35.487 -49.795 1.00 0.00 O ATOM 1386 CB ASP A 89 20.147 -37.996 -48.124 1.00 0.00 C ATOM 1387 CG ASP A 89 18.790 -37.467 -47.634 1.00 0.00 C ATOM 1388 OD1 ASP A 89 17.739 -37.974 -48.101 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.762 -36.531 -46.796 1.00 0.00 O ATOM 0 H ASP A 89 20.867 -35.646 -47.245 1.00 0.00 H new ATOM 0 HA ASP A 89 21.852 -37.495 -49.321 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.974 -38.848 -48.782 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.709 -38.365 -47.266 1.00 0.00 H new ATOM 1394 N TRP A 90 20.705 -36.499 -51.255 1.00 0.00 N ATOM 1395 CA TRP A 90 20.040 -36.021 -52.486 1.00 0.00 C ATOM 1396 C TRP A 90 19.285 -37.198 -53.155 1.00 0.00 C ATOM 1397 O TRP A 90 18.567 -37.017 -54.143 1.00 0.00 O ATOM 1398 CB TRP A 90 21.102 -35.410 -53.444 1.00 0.00 C ATOM 1399 CG TRP A 90 21.933 -34.299 -52.819 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.975 -34.443 -51.943 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.785 -32.884 -53.020 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.480 -33.221 -51.599 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.769 -32.247 -52.247 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.919 -32.097 -53.781 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.907 -30.863 -52.211 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 21.057 -30.721 -53.745 1.00 0.00 C ATOM 1407 CH2 TRP A 90 22.044 -30.113 -52.966 1.00 0.00 C ATOM 0 H TRP A 90 21.555 -37.033 -51.436 1.00 0.00 H new ATOM 0 HA TRP A 90 19.314 -35.245 -52.244 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.770 -36.202 -53.783 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.597 -35.019 -54.327 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.345 -35.389 -51.576 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.261 -33.060 -50.962 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.153 -32.555 -54.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.670 -30.395 -51.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.389 -30.106 -54.330 1.00 0.00 H new ATOM 0 HH2 TRP A 90 22.128 -29.036 -52.959 1.00 0.00 H new ATOM 1418 N THR A 91 19.443 -38.400 -52.551 1.00 0.00 N ATOM 1419 CA THR A 91 18.895 -39.677 -53.046 1.00 0.00 C ATOM 1420 C THR A 91 17.488 -39.973 -52.466 1.00 0.00 C ATOM 1421 O THR A 91 16.967 -41.087 -52.618 1.00 0.00 O ATOM 1422 CB THR A 91 19.897 -40.840 -52.699 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.500 -42.063 -53.341 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.022 -41.080 -51.178 1.00 0.00 C ATOM 0 H THR A 91 19.969 -38.507 -51.684 1.00 0.00 H new ATOM 0 HA THR A 91 18.778 -39.602 -54.127 1.00 0.00 H new ATOM 0 HB THR A 91 20.872 -40.527 -53.071 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.525 -42.153 -53.298 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.725 -41.892 -50.994 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.382 -40.172 -50.695 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.047 -41.345 -50.770 1.00 0.00 H new