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 26:sc= 0.00627 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.481 K(o=-0.47,f=-5!) USER MOD Set 2.1: A 62 THR OG1 : rot 104:sc= 1.2 USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 30 SER OG : rot 43:sc= 0.147 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 0.364 (180deg=0.226) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= 0.623 (180deg=0.221) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.0931 (180deg=-0.532) USER MOD Single : A 71 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 74 GLN : amide:sc= -1 X(o=-1,f=-0.61) 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=-0.03) USER MOD Single : A 82 ASN : amide:sc= 0.0881 K(o=0.088,f=-0.58) USER MOD Single : A 91 THR OG1 : rot -36:sc= 0.84 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.837 -27.875 -55.402 1.00 0.00 N ATOM 430 CA VAL A 29 4.066 -29.109 -54.620 1.00 0.00 C ATOM 431 C VAL A 29 5.539 -29.182 -54.144 1.00 0.00 C ATOM 432 O VAL A 29 6.468 -29.348 -54.938 1.00 0.00 O ATOM 433 CB VAL A 29 3.642 -30.416 -55.415 1.00 0.00 C ATOM 434 CG1 VAL A 29 2.103 -30.477 -55.586 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.347 -30.519 -56.796 1.00 0.00 C ATOM 0 HA VAL A 29 3.423 -29.065 -53.741 1.00 0.00 H new ATOM 0 HB VAL A 29 3.966 -31.271 -54.822 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.833 -31.380 -56.133 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.628 -30.492 -54.605 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.764 -29.602 -56.140 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.025 -31.429 -57.302 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.084 -29.653 -57.404 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.427 -30.547 -56.652 1.00 0.00 H new ATOM 445 N SER A 30 5.718 -29.002 -52.830 1.00 0.00 N ATOM 446 CA SER A 30 7.026 -28.984 -52.162 1.00 0.00 C ATOM 447 C SER A 30 6.840 -29.478 -50.715 1.00 0.00 C ATOM 448 O SER A 30 6.159 -28.837 -49.903 1.00 0.00 O ATOM 449 CB SER A 30 7.606 -27.550 -52.202 1.00 0.00 C ATOM 450 OG SER A 30 6.638 -26.600 -51.785 1.00 0.00 O ATOM 0 H SER A 30 4.940 -28.861 -52.186 1.00 0.00 H new ATOM 0 HA SER A 30 7.731 -29.642 -52.670 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.482 -27.490 -51.556 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.939 -27.316 -53.213 1.00 0.00 H new ATOM 0 HG SER A 30 6.159 -26.943 -51.002 1.00 0.00 H new ATOM 456 N VAL A 31 7.429 -30.641 -50.422 1.00 0.00 N ATOM 457 CA VAL A 31 7.320 -31.324 -49.122 1.00 0.00 C ATOM 458 C VAL A 31 8.689 -31.289 -48.427 1.00 0.00 C ATOM 459 O VAL A 31 9.681 -31.756 -48.993 1.00 0.00 O ATOM 460 CB VAL A 31 6.845 -32.819 -49.314 1.00 0.00 C ATOM 461 CG1 VAL A 31 6.748 -33.560 -47.953 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.499 -32.872 -50.088 1.00 0.00 C ATOM 0 H VAL A 31 8.007 -31.147 -51.093 1.00 0.00 H new ATOM 0 HA VAL A 31 6.579 -30.812 -48.507 1.00 0.00 H new ATOM 0 HB VAL A 31 7.595 -33.338 -49.911 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.419 -34.586 -48.120 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.726 -33.567 -47.472 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.031 -33.049 -47.311 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.190 -33.910 -50.209 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.736 -32.329 -49.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.625 -32.414 -51.069 1.00 0.00 H new ATOM 472 N GLU A 32 8.732 -30.725 -47.213 1.00 0.00 N ATOM 473 CA GLU A 32 9.960 -30.639 -46.411 1.00 0.00 C ATOM 474 C GLU A 32 10.236 -31.987 -45.719 1.00 0.00 C ATOM 475 O GLU A 32 9.426 -32.466 -44.915 1.00 0.00 O ATOM 476 CB GLU A 32 9.852 -29.491 -45.366 1.00 0.00 C ATOM 477 CG GLU A 32 9.661 -28.091 -45.992 1.00 0.00 C ATOM 478 CD GLU A 32 9.623 -26.961 -44.945 1.00 0.00 C ATOM 479 OE1 GLU A 32 8.541 -26.691 -44.383 1.00 0.00 O ATOM 480 OE2 GLU A 32 10.673 -26.342 -44.677 1.00 0.00 O ATOM 0 H GLU A 32 7.916 -30.315 -46.759 1.00 0.00 H new ATOM 0 HA GLU A 32 10.796 -30.413 -47.073 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.015 -29.697 -44.699 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.753 -29.484 -44.753 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.472 -27.900 -46.695 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.734 -28.079 -46.565 1.00 0.00 H new ATOM 487 N LEU A 33 11.365 -32.601 -46.086 1.00 0.00 N ATOM 488 CA LEU A 33 11.850 -33.871 -45.510 1.00 0.00 C ATOM 489 C LEU A 33 12.843 -33.560 -44.354 1.00 0.00 C ATOM 490 O LEU A 33 13.338 -32.431 -44.273 1.00 0.00 O ATOM 491 CB LEU A 33 12.495 -34.744 -46.654 1.00 0.00 C ATOM 492 CG LEU A 33 11.521 -35.662 -47.473 1.00 0.00 C ATOM 493 CD1 LEU A 33 10.976 -36.817 -46.613 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.374 -34.851 -48.100 1.00 0.00 C ATOM 0 H LEU A 33 11.984 -32.226 -46.805 1.00 0.00 H new ATOM 0 HA LEU A 33 11.029 -34.449 -45.085 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.998 -34.074 -47.351 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.264 -35.375 -46.208 1.00 0.00 H new ATOM 0 HG LEU A 33 12.100 -36.100 -48.286 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.305 -37.432 -47.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.805 -37.427 -46.256 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.431 -36.411 -45.761 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.719 -35.519 -48.660 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.803 -34.359 -47.312 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.786 -34.099 -48.773 1.00 0.00 H new ATOM 506 N PRO A 34 13.115 -34.544 -43.409 1.00 0.00 N ATOM 507 CA PRO A 34 14.018 -34.328 -42.240 1.00 0.00 C ATOM 508 C PRO A 34 15.421 -33.801 -42.627 1.00 0.00 C ATOM 509 O PRO A 34 15.965 -34.149 -43.687 1.00 0.00 O ATOM 510 CB PRO A 34 14.098 -35.733 -41.560 1.00 0.00 C ATOM 511 CG PRO A 34 13.576 -36.689 -42.593 1.00 0.00 C ATOM 512 CD PRO A 34 12.533 -35.913 -43.358 1.00 0.00 C ATOM 0 HA PRO A 34 13.629 -33.552 -41.580 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.122 -35.977 -41.276 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.498 -35.767 -40.650 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.374 -37.031 -43.252 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.145 -37.575 -42.127 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.374 -36.323 -44.355 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.568 -35.924 -42.852 1.00 0.00 H new ATOM 520 N ALA A 35 16.004 -32.988 -41.732 1.00 0.00 N ATOM 521 CA ALA A 35 17.201 -32.188 -42.012 1.00 0.00 C ATOM 522 C ALA A 35 18.021 -31.919 -40.739 1.00 0.00 C ATOM 523 O ALA A 35 17.530 -32.149 -39.627 1.00 0.00 O ATOM 524 CB ALA A 35 16.741 -30.845 -42.591 1.00 0.00 C ATOM 0 H ALA A 35 15.651 -32.868 -40.783 1.00 0.00 H new ATOM 0 HA ALA A 35 17.834 -32.737 -42.709 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.611 -30.226 -42.810 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.178 -31.018 -43.508 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.106 -30.335 -41.867 1.00 0.00 H new ATOM 530 N PRO A 36 19.297 -31.416 -40.892 1.00 0.00 N ATOM 531 CA PRO A 36 20.003 -30.681 -39.809 1.00 0.00 C ATOM 532 C PRO A 36 19.167 -29.468 -39.331 1.00 0.00 C ATOM 533 O PRO A 36 18.463 -28.855 -40.139 1.00 0.00 O ATOM 534 CB PRO A 36 21.317 -30.207 -40.494 1.00 0.00 C ATOM 535 CG PRO A 36 21.542 -31.188 -41.599 1.00 0.00 C ATOM 536 CD PRO A 36 20.161 -31.562 -42.101 1.00 0.00 C ATOM 0 HA PRO A 36 20.178 -31.292 -38.924 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.219 -29.192 -40.879 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.151 -30.203 -39.792 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.143 -30.750 -42.396 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.080 -32.066 -41.240 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.836 -30.905 -42.908 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.138 -32.580 -42.490 1.00 0.00 H new ATOM 544 N SER A 37 19.253 -29.138 -38.033 1.00 0.00 N ATOM 545 CA SER A 37 18.556 -27.973 -37.447 1.00 0.00 C ATOM 546 C SER A 37 19.129 -26.648 -38.016 1.00 0.00 C ATOM 547 O SER A 37 18.393 -25.672 -38.200 1.00 0.00 O ATOM 548 CB SER A 37 18.685 -28.011 -35.905 1.00 0.00 C ATOM 549 OG SER A 37 20.043 -28.056 -35.501 1.00 0.00 O ATOM 0 H SER A 37 19.805 -29.667 -37.358 1.00 0.00 H new ATOM 0 HA SER A 37 17.500 -28.020 -37.713 1.00 0.00 H new ATOM 0 HB2 SER A 37 18.205 -27.131 -35.476 1.00 0.00 H new ATOM 0 HB3 SER A 37 18.159 -28.883 -35.516 1.00 0.00 H new ATOM 0 HG SER A 37 20.093 -28.078 -34.522 1.00 0.00 H new ATOM 555 N SER A 38 20.454 -26.662 -38.297 1.00 0.00 N ATOM 556 CA SER A 38 21.200 -25.533 -38.903 1.00 0.00 C ATOM 557 C SER A 38 20.710 -25.243 -40.338 1.00 0.00 C ATOM 558 O SER A 38 20.564 -24.083 -40.739 1.00 0.00 O ATOM 559 CB SER A 38 22.712 -25.871 -38.918 1.00 0.00 C ATOM 560 OG SER A 38 23.186 -26.166 -37.612 1.00 0.00 O ATOM 0 H SER A 38 21.044 -27.472 -38.106 1.00 0.00 H new ATOM 0 HA SER A 38 21.025 -24.639 -38.304 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.890 -26.724 -39.573 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.271 -25.030 -39.329 1.00 0.00 H new ATOM 0 HG SER A 38 24.142 -26.377 -37.651 1.00 0.00 H new ATOM 566 N TRP A 39 20.464 -26.323 -41.094 1.00 0.00 N ATOM 567 CA TRP A 39 19.964 -26.261 -42.481 1.00 0.00 C ATOM 568 C TRP A 39 18.460 -26.571 -42.515 1.00 0.00 C ATOM 569 O TRP A 39 17.785 -26.551 -41.482 1.00 0.00 O ATOM 570 CB TRP A 39 20.738 -27.293 -43.352 1.00 0.00 C ATOM 571 CG TRP A 39 22.157 -26.897 -43.666 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.225 -26.853 -42.808 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.657 -26.490 -44.946 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.349 -26.447 -43.479 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.025 -26.223 -44.792 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.071 -26.327 -46.205 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.818 -25.806 -45.849 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.861 -25.915 -47.257 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.224 -25.656 -47.074 1.00 0.00 C ATOM 0 H TRP A 39 20.607 -27.276 -40.759 1.00 0.00 H new ATOM 0 HA TRP A 39 20.122 -25.258 -42.877 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.747 -28.253 -42.836 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.198 -27.439 -44.288 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.186 -27.102 -41.758 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.275 -26.331 -43.068 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.018 -26.520 -46.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.870 -25.606 -45.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.422 -25.790 -48.236 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.819 -25.332 -47.915 1.00 0.00 H new ATOM 590 N LYS A 40 17.945 -26.824 -43.730 1.00 0.00 N ATOM 591 CA LYS A 40 16.637 -27.452 -43.936 1.00 0.00 C ATOM 592 C LYS A 40 16.695 -28.277 -45.229 1.00 0.00 C ATOM 593 O LYS A 40 17.511 -28.007 -46.109 1.00 0.00 O ATOM 594 CB LYS A 40 15.470 -26.401 -43.957 1.00 0.00 C ATOM 595 CG LYS A 40 14.156 -26.886 -43.291 1.00 0.00 C ATOM 596 CD LYS A 40 14.345 -27.158 -41.775 1.00 0.00 C ATOM 597 CE LYS A 40 14.711 -25.883 -40.974 1.00 0.00 C ATOM 598 NZ LYS A 40 15.430 -26.205 -39.720 1.00 0.00 N ATOM 0 H LYS A 40 18.430 -26.596 -44.598 1.00 0.00 H new ATOM 0 HA LYS A 40 16.417 -28.110 -43.096 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.805 -25.495 -43.453 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.260 -26.131 -44.992 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.379 -26.135 -43.431 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.813 -27.796 -43.784 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.427 -27.584 -41.370 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.129 -27.903 -41.640 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.331 -25.232 -41.591 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.802 -25.329 -40.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.360 -25.401 -39.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.005 -27.047 -39.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.431 -26.393 -39.932 1.00 0.00 H new ATOM 612 N LYS A 41 15.846 -29.300 -45.312 1.00 0.00 N ATOM 613 CA LYS A 41 15.763 -30.216 -46.456 1.00 0.00 C ATOM 614 C LYS A 41 14.341 -30.150 -46.998 1.00 0.00 C ATOM 615 O LYS A 41 13.372 -30.372 -46.271 1.00 0.00 O ATOM 616 CB LYS A 41 16.163 -31.658 -46.005 1.00 0.00 C ATOM 617 CG LYS A 41 15.655 -32.840 -46.863 1.00 0.00 C ATOM 618 CD LYS A 41 16.164 -32.855 -48.319 1.00 0.00 C ATOM 619 CE LYS A 41 15.678 -34.105 -49.075 1.00 0.00 C ATOM 620 NZ LYS A 41 16.154 -35.353 -48.423 1.00 0.00 N ATOM 0 H LYS A 41 15.181 -29.523 -44.571 1.00 0.00 H new ATOM 0 HA LYS A 41 16.455 -29.932 -47.249 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.251 -31.710 -45.971 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.805 -31.803 -44.986 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.950 -33.772 -46.381 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.565 -32.819 -46.875 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.819 -31.959 -48.835 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.254 -32.826 -48.325 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.589 -34.107 -49.116 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.035 -34.071 -50.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.066 -36.148 -49.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.150 -35.242 -48.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.579 -35.544 -47.578 1.00 0.00 H new ATOM 634 N LEU A 42 14.247 -29.806 -48.269 1.00 0.00 N ATOM 635 CA LEU A 42 13.009 -29.771 -49.024 1.00 0.00 C ATOM 636 C LEU A 42 13.191 -30.658 -50.261 1.00 0.00 C ATOM 637 O LEU A 42 14.237 -30.633 -50.916 1.00 0.00 O ATOM 638 CB LEU A 42 12.659 -28.278 -49.357 1.00 0.00 C ATOM 639 CG LEU A 42 11.501 -27.999 -50.392 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.836 -26.620 -50.161 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.019 -28.071 -51.837 1.00 0.00 C ATOM 0 H LEU A 42 15.059 -29.534 -48.823 1.00 0.00 H new ATOM 0 HA LEU A 42 12.163 -30.165 -48.461 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.398 -27.780 -48.423 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.564 -27.799 -49.732 1.00 0.00 H new ATOM 0 HG LEU A 42 10.753 -28.776 -50.234 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.045 -26.470 -50.896 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.411 -26.584 -49.158 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.583 -25.833 -50.267 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.199 -27.875 -52.528 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.801 -27.325 -51.981 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.425 -29.064 -52.029 1.00 0.00 H new ATOM 653 N PHE A 43 12.160 -31.443 -50.541 1.00 0.00 N ATOM 654 CA PHE A 43 12.033 -32.263 -51.744 1.00 0.00 C ATOM 655 C PHE A 43 10.837 -31.738 -52.553 1.00 0.00 C ATOM 656 O PHE A 43 9.782 -31.452 -51.984 1.00 0.00 O ATOM 657 CB PHE A 43 11.835 -33.749 -51.330 1.00 0.00 C ATOM 658 CG PHE A 43 11.408 -34.694 -52.463 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.214 -34.878 -53.589 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.196 -35.395 -52.405 1.00 0.00 C ATOM 661 CE1 PHE A 43 11.819 -35.718 -54.615 1.00 0.00 C ATOM 662 CE2 PHE A 43 9.808 -36.236 -53.433 1.00 0.00 C ATOM 663 CZ PHE A 43 10.622 -36.399 -54.536 1.00 0.00 C ATOM 0 H PHE A 43 11.359 -31.532 -49.916 1.00 0.00 H new ATOM 0 HA PHE A 43 12.930 -32.205 -52.361 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.768 -34.118 -50.904 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.085 -33.792 -50.541 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.158 -34.358 -53.660 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.555 -35.277 -51.544 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.451 -35.841 -55.482 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.868 -36.765 -53.372 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.322 -37.059 -55.336 1.00 0.00 H new ATOM 673 N TYR A 44 11.022 -31.574 -53.863 1.00 0.00 N ATOM 674 CA TYR A 44 9.933 -31.252 -54.798 1.00 0.00 C ATOM 675 C TYR A 44 9.392 -32.557 -55.429 1.00 0.00 C ATOM 676 O TYR A 44 10.084 -33.175 -56.248 1.00 0.00 O ATOM 677 CB TYR A 44 10.438 -30.281 -55.902 1.00 0.00 C ATOM 678 CG TYR A 44 10.330 -28.784 -55.582 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.417 -28.055 -55.104 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.139 -28.095 -55.786 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.312 -26.700 -54.836 1.00 0.00 C ATOM 682 CE2 TYR A 44 9.031 -26.744 -55.520 1.00 0.00 C ATOM 683 CZ TYR A 44 10.117 -26.050 -55.050 1.00 0.00 C ATOM 684 OH TYR A 44 10.004 -24.704 -54.784 1.00 0.00 O ATOM 0 H TYR A 44 11.934 -31.660 -54.312 1.00 0.00 H new ATOM 0 HA TYR A 44 9.127 -30.759 -54.255 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.482 -30.513 -56.112 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.877 -30.478 -56.816 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.359 -28.556 -54.939 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.278 -28.629 -56.161 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.165 -26.155 -54.460 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.093 -26.235 -55.682 1.00 0.00 H new ATOM 0 HH TYR A 44 9.094 -24.405 -54.992 1.00 0.00 H new ATOM 694 N PRO A 45 8.170 -33.026 -55.026 1.00 0.00 N ATOM 695 CA PRO A 45 7.466 -34.125 -55.722 1.00 0.00 C ATOM 696 C PRO A 45 6.690 -33.610 -56.955 1.00 0.00 C ATOM 697 O PRO A 45 6.980 -32.525 -57.484 1.00 0.00 O ATOM 698 CB PRO A 45 6.520 -34.653 -54.610 1.00 0.00 C ATOM 699 CG PRO A 45 6.143 -33.421 -53.842 1.00 0.00 C ATOM 700 CD PRO A 45 7.392 -32.549 -53.844 1.00 0.00 C ATOM 0 HA PRO A 45 8.127 -34.891 -56.127 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.643 -35.145 -55.032 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.020 -35.383 -53.974 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.304 -32.907 -54.310 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.838 -33.669 -52.825 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.140 -31.492 -53.933 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.960 -32.664 -52.921 1.00 0.00 H new ATOM 852 N GLU A 55 13.924 -30.513 -58.591 1.00 0.00 N ATOM 853 CA GLU A 55 14.874 -31.334 -57.812 1.00 0.00 C ATOM 854 C GLU A 55 14.769 -31.051 -56.285 1.00 0.00 C ATOM 855 O GLU A 55 13.852 -30.353 -55.823 1.00 0.00 O ATOM 856 CB GLU A 55 16.328 -31.064 -58.319 1.00 0.00 C ATOM 857 CG GLU A 55 16.875 -29.625 -58.066 1.00 0.00 C ATOM 858 CD GLU A 55 16.555 -28.593 -59.168 1.00 0.00 C ATOM 859 OE1 GLU A 55 17.417 -28.334 -60.024 1.00 0.00 O ATOM 860 OE2 GLU A 55 15.454 -28.029 -59.174 1.00 0.00 O ATOM 0 HA GLU A 55 14.621 -32.384 -57.961 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.999 -31.777 -57.840 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.363 -31.263 -59.390 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.469 -29.261 -57.122 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.957 -29.681 -57.948 1.00 0.00 H new ATOM 867 N VAL A 56 15.738 -31.601 -55.520 1.00 0.00 N ATOM 868 CA VAL A 56 15.858 -31.395 -54.065 1.00 0.00 C ATOM 869 C VAL A 56 16.594 -30.072 -53.786 1.00 0.00 C ATOM 870 O VAL A 56 17.652 -29.811 -54.367 1.00 0.00 O ATOM 871 CB VAL A 56 16.643 -32.594 -53.402 1.00 0.00 C ATOM 872 CG1 VAL A 56 16.981 -32.319 -51.912 1.00 0.00 C ATOM 873 CG2 VAL A 56 15.850 -33.914 -53.556 1.00 0.00 C ATOM 0 H VAL A 56 16.465 -32.206 -55.902 1.00 0.00 H new ATOM 0 HA VAL A 56 14.858 -31.351 -53.633 1.00 0.00 H new ATOM 0 HB VAL A 56 17.592 -32.694 -53.930 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.521 -33.171 -51.498 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.601 -31.426 -51.839 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.058 -32.167 -51.352 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.407 -34.729 -53.093 1.00 0.00 H new ATOM 0 HG22 VAL A 56 14.880 -33.815 -53.069 1.00 0.00 H new ATOM 0 HG23 VAL A 56 15.704 -34.130 -54.614 1.00 0.00 H new ATOM 883 N VAL A 57 16.012 -29.248 -52.894 1.00 0.00 N ATOM 884 CA VAL A 57 16.569 -27.946 -52.488 1.00 0.00 C ATOM 885 C VAL A 57 16.786 -27.938 -50.956 1.00 0.00 C ATOM 886 O VAL A 57 15.837 -28.100 -50.187 1.00 0.00 O ATOM 887 CB VAL A 57 15.620 -26.750 -52.908 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.228 -25.370 -52.505 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.288 -26.801 -54.431 1.00 0.00 C ATOM 0 H VAL A 57 15.131 -29.472 -52.430 1.00 0.00 H new ATOM 0 HA VAL A 57 17.521 -27.806 -52.999 1.00 0.00 H new ATOM 0 HB VAL A 57 14.684 -26.866 -52.361 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.551 -24.572 -52.808 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.369 -25.336 -51.425 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.190 -25.238 -53.000 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.635 -25.967 -54.689 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.211 -26.731 -55.007 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.786 -27.740 -54.663 1.00 0.00 H new ATOM 899 N PHE A 58 18.051 -27.789 -50.534 1.00 0.00 N ATOM 900 CA PHE A 58 18.418 -27.538 -49.129 1.00 0.00 C ATOM 901 C PHE A 58 18.390 -26.028 -48.838 1.00 0.00 C ATOM 902 O PHE A 58 18.938 -25.234 -49.603 1.00 0.00 O ATOM 903 CB PHE A 58 19.833 -28.116 -48.814 1.00 0.00 C ATOM 904 CG PHE A 58 19.834 -29.619 -48.530 1.00 0.00 C ATOM 905 CD1 PHE A 58 19.807 -30.554 -49.564 1.00 0.00 C ATOM 906 CD2 PHE A 58 19.845 -30.097 -47.214 1.00 0.00 C ATOM 907 CE1 PHE A 58 19.790 -31.910 -49.295 1.00 0.00 C ATOM 908 CE2 PHE A 58 19.831 -31.452 -46.950 1.00 0.00 C ATOM 909 CZ PHE A 58 19.805 -32.356 -47.990 1.00 0.00 C ATOM 0 H PHE A 58 18.854 -27.839 -51.161 1.00 0.00 H new ATOM 0 HA PHE A 58 17.691 -28.039 -48.490 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.494 -27.914 -49.657 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.246 -27.592 -47.952 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.799 -30.214 -50.589 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.865 -29.395 -46.393 1.00 0.00 H new ATOM 0 HE1 PHE A 58 19.765 -32.621 -50.108 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.840 -31.804 -45.929 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.796 -33.416 -47.783 1.00 0.00 H new ATOM 919 N VAL A 59 17.725 -25.645 -47.743 1.00 0.00 N ATOM 920 CA VAL A 59 17.765 -24.271 -47.224 1.00 0.00 C ATOM 921 C VAL A 59 19.027 -24.076 -46.381 1.00 0.00 C ATOM 922 O VAL A 59 19.317 -24.873 -45.482 1.00 0.00 O ATOM 923 CB VAL A 59 16.467 -23.930 -46.395 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.647 -22.714 -45.440 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.276 -23.687 -47.343 1.00 0.00 C ATOM 0 H VAL A 59 17.144 -26.277 -47.191 1.00 0.00 H new ATOM 0 HA VAL A 59 17.795 -23.581 -48.067 1.00 0.00 H new ATOM 0 HB VAL A 59 16.268 -24.796 -45.764 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.717 -22.534 -44.901 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.444 -22.926 -44.728 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.906 -21.829 -46.022 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.387 -23.453 -46.758 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.504 -22.853 -48.007 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.094 -24.583 -47.936 1.00 0.00 H new ATOM 935 N ALA A 60 19.757 -23.000 -46.700 1.00 0.00 N ATOM 936 CA ALA A 60 20.989 -22.620 -46.005 1.00 0.00 C ATOM 937 C ALA A 60 20.671 -21.780 -44.751 1.00 0.00 C ATOM 938 O ALA A 60 19.671 -21.052 -44.728 1.00 0.00 O ATOM 939 CB ALA A 60 21.936 -21.834 -46.937 1.00 0.00 C ATOM 0 H ALA A 60 19.505 -22.363 -47.456 1.00 0.00 H new ATOM 0 HA ALA A 60 21.490 -23.538 -45.698 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.842 -21.566 -46.393 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.198 -22.453 -47.795 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.438 -20.928 -47.282 1.00 0.00 H new ATOM 945 N PRO A 61 21.541 -21.860 -43.697 1.00 0.00 N ATOM 946 CA PRO A 61 21.491 -20.950 -42.516 1.00 0.00 C ATOM 947 C PRO A 61 21.715 -19.466 -42.930 1.00 0.00 C ATOM 948 O PRO A 61 21.287 -18.535 -42.242 1.00 0.00 O ATOM 949 CB PRO A 61 22.649 -21.476 -41.609 1.00 0.00 C ATOM 950 CG PRO A 61 23.551 -22.227 -42.551 1.00 0.00 C ATOM 951 CD PRO A 61 22.626 -22.868 -43.560 1.00 0.00 C ATOM 0 HA PRO A 61 20.524 -20.957 -42.014 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.177 -20.656 -41.123 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.271 -22.125 -40.819 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.259 -21.556 -43.037 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.136 -22.978 -42.021 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.129 -23.053 -44.509 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.246 -23.827 -43.208 1.00 0.00 H new ATOM 959 N THR A 62 22.404 -19.288 -44.072 1.00 0.00 N ATOM 960 CA THR A 62 22.672 -17.995 -44.706 1.00 0.00 C ATOM 961 C THR A 62 21.421 -17.419 -45.399 1.00 0.00 C ATOM 962 O THR A 62 21.199 -16.199 -45.396 1.00 0.00 O ATOM 963 CB THR A 62 23.796 -18.205 -45.759 1.00 0.00 C ATOM 964 OG1 THR A 62 24.960 -18.722 -45.118 1.00 0.00 O ATOM 965 CG2 THR A 62 24.159 -16.939 -46.537 1.00 0.00 C ATOM 0 H THR A 62 22.801 -20.070 -44.592 1.00 0.00 H new ATOM 0 HA THR A 62 22.972 -17.282 -43.938 1.00 0.00 H new ATOM 0 HB THR A 62 23.406 -18.914 -46.489 1.00 0.00 H new ATOM 0 HG1 THR A 62 25.045 -19.678 -45.316 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.950 -17.166 -47.252 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.281 -16.575 -47.070 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.505 -16.173 -45.844 1.00 0.00 H new ATOM 973 N GLY A 63 20.601 -18.318 -45.969 1.00 0.00 N ATOM 974 CA GLY A 63 19.597 -17.938 -46.967 1.00 0.00 C ATOM 975 C GLY A 63 20.127 -18.100 -48.397 1.00 0.00 C ATOM 976 O GLY A 63 19.501 -17.642 -49.357 1.00 0.00 O ATOM 0 H GLY A 63 20.617 -19.315 -45.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.706 -18.552 -46.838 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.297 -16.903 -46.805 1.00 0.00 H new ATOM 980 N GLU A 64 21.293 -18.767 -48.524 1.00 0.00 N ATOM 981 CA GLU A 64 21.910 -19.119 -49.813 1.00 0.00 C ATOM 982 C GLU A 64 21.474 -20.554 -50.170 1.00 0.00 C ATOM 983 O GLU A 64 22.260 -21.503 -50.058 1.00 0.00 O ATOM 984 CB GLU A 64 23.466 -18.991 -49.714 1.00 0.00 C ATOM 985 CG GLU A 64 24.217 -19.158 -51.051 1.00 0.00 C ATOM 986 CD GLU A 64 25.749 -19.063 -50.913 1.00 0.00 C ATOM 987 OE1 GLU A 64 26.453 -19.997 -51.334 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.255 -18.042 -50.391 1.00 0.00 O ATOM 0 H GLU A 64 21.838 -19.079 -47.720 1.00 0.00 H new ATOM 0 HA GLU A 64 21.584 -18.440 -50.601 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.710 -18.014 -49.296 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.834 -19.739 -49.011 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.959 -20.124 -51.485 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.875 -18.393 -51.748 1.00 0.00 H new ATOM 995 N GLU A 65 20.178 -20.699 -50.510 1.00 0.00 N ATOM 996 CA GLU A 65 19.544 -22.008 -50.772 1.00 0.00 C ATOM 997 C GLU A 65 20.258 -22.771 -51.900 1.00 0.00 C ATOM 998 O GLU A 65 20.518 -22.228 -52.979 1.00 0.00 O ATOM 999 CB GLU A 65 18.024 -21.837 -51.115 1.00 0.00 C ATOM 1000 CG GLU A 65 17.074 -21.672 -49.907 1.00 0.00 C ATOM 1001 CD GLU A 65 17.446 -20.537 -48.936 1.00 0.00 C ATOM 1002 OE1 GLU A 65 18.183 -20.792 -47.956 1.00 0.00 O ATOM 1003 OE2 GLU A 65 16.994 -19.389 -49.135 1.00 0.00 O ATOM 0 H GLU A 65 19.539 -19.910 -50.611 1.00 0.00 H new ATOM 0 HA GLU A 65 19.634 -22.596 -49.858 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.913 -20.966 -51.761 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.701 -22.705 -51.690 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.065 -21.495 -50.279 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.049 -22.610 -49.353 1.00 0.00 H new ATOM 1010 N ILE A 66 20.578 -24.029 -51.612 1.00 0.00 N ATOM 1011 CA ILE A 66 21.295 -24.914 -52.517 1.00 0.00 C ATOM 1012 C ILE A 66 20.300 -25.865 -53.204 1.00 0.00 C ATOM 1013 O ILE A 66 19.516 -26.520 -52.529 1.00 0.00 O ATOM 1014 CB ILE A 66 22.359 -25.743 -51.730 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.297 -24.821 -50.864 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.163 -26.618 -52.701 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.107 -23.783 -51.624 1.00 0.00 C ATOM 0 H ILE A 66 20.340 -24.469 -50.723 1.00 0.00 H new ATOM 0 HA ILE A 66 21.804 -24.314 -53.271 1.00 0.00 H new ATOM 0 HB ILE A 66 21.836 -26.395 -51.030 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.683 -24.304 -50.127 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.988 -25.458 -50.312 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.903 -27.193 -52.145 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.489 -27.299 -53.220 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.669 -25.984 -53.429 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.713 -23.210 -50.923 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.757 -24.283 -52.342 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.432 -23.111 -52.154 1.00 0.00 H new ATOM 1029 N SER A 67 20.355 -25.938 -54.538 1.00 0.00 N ATOM 1030 CA SER A 67 19.449 -26.771 -55.361 1.00 0.00 C ATOM 1031 C SER A 67 20.199 -27.964 -55.996 1.00 0.00 C ATOM 1032 O SER A 67 19.590 -28.771 -56.701 1.00 0.00 O ATOM 1033 CB SER A 67 18.829 -25.881 -56.465 1.00 0.00 C ATOM 1034 OG SER A 67 19.819 -25.105 -57.113 1.00 0.00 O ATOM 0 H SER A 67 21.036 -25.417 -55.091 1.00 0.00 H new ATOM 0 HA SER A 67 18.667 -27.182 -54.723 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.318 -26.507 -57.196 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.077 -25.224 -56.027 1.00 0.00 H new ATOM 0 HG SER A 67 20.687 -25.555 -57.040 1.00 0.00 H new ATOM 1040 N ASN A 68 21.514 -28.076 -55.744 1.00 0.00 N ATOM 1041 CA ASN A 68 22.386 -29.027 -56.460 1.00 0.00 C ATOM 1042 C ASN A 68 23.704 -29.258 -55.693 1.00 0.00 C ATOM 1043 O ASN A 68 24.199 -28.357 -55.012 1.00 0.00 O ATOM 1044 CB ASN A 68 22.661 -28.523 -57.915 1.00 0.00 C ATOM 1045 CG ASN A 68 23.197 -27.084 -57.996 1.00 0.00 C ATOM 1046 OD1 ASN A 68 22.939 -26.248 -57.127 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.904 -26.774 -59.064 1.00 0.00 N ATOM 0 H ASN A 68 22.001 -27.516 -55.044 1.00 0.00 H new ATOM 0 HA ASN A 68 21.870 -29.985 -56.521 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.378 -29.193 -58.389 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.737 -28.587 -58.490 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.252 -25.823 -59.187 1.00 0.00 H new ATOM 0 HD22 ASN A 68 24.103 -27.485 -59.768 1.00 0.00 H new ATOM 1054 N ARG A 69 24.262 -30.480 -55.852 1.00 0.00 N ATOM 1055 CA ARG A 69 25.476 -30.947 -55.134 1.00 0.00 C ATOM 1056 C ARG A 69 26.658 -29.975 -55.267 1.00 0.00 C ATOM 1057 O ARG A 69 27.390 -29.765 -54.296 1.00 0.00 O ATOM 1058 CB ARG A 69 25.930 -32.342 -55.650 1.00 0.00 C ATOM 1059 CG ARG A 69 25.163 -33.547 -55.069 1.00 0.00 C ATOM 1060 CD ARG A 69 25.941 -34.859 -55.269 1.00 0.00 C ATOM 1061 NE ARG A 69 27.346 -34.739 -54.794 1.00 0.00 N ATOM 1062 CZ ARG A 69 28.147 -35.756 -54.459 1.00 0.00 C ATOM 1063 NH1 ARG A 69 27.689 -36.991 -54.420 1.00 0.00 N ATOM 1064 NH2 ARG A 69 29.406 -35.510 -54.135 1.00 0.00 N ATOM 0 H ARG A 69 23.880 -31.179 -56.489 1.00 0.00 H new ATOM 0 HA ARG A 69 25.191 -31.005 -54.083 1.00 0.00 H new ATOM 0 HB2 ARG A 69 25.830 -32.359 -56.735 1.00 0.00 H new ATOM 0 HB3 ARG A 69 26.990 -32.466 -55.426 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.984 -33.387 -54.006 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.187 -33.624 -55.549 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.442 -35.665 -54.731 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.935 -35.129 -56.325 1.00 0.00 H new ATOM 0 HE ARG A 69 27.732 -33.798 -54.717 1.00 0.00 H new ATOM 0 HH11 ARG A 69 26.713 -37.180 -54.647 1.00 0.00 H new ATOM 0 HH12 ARG A 69 28.311 -37.758 -54.163 1.00 0.00 H new ATOM 0 HH21 ARG A 69 29.757 -34.552 -54.142 1.00 0.00 H new ATOM 0 HH22 ARG A 69 30.026 -36.278 -53.878 1.00 0.00 H new ATOM 1078 N LYS A 70 26.829 -29.417 -56.481 1.00 0.00 N ATOM 1079 CA LYS A 70 27.939 -28.494 -56.809 1.00 0.00 C ATOM 1080 C LYS A 70 27.958 -27.343 -55.795 1.00 0.00 C ATOM 1081 O LYS A 70 28.945 -27.156 -55.076 1.00 0.00 O ATOM 1082 CB LYS A 70 27.808 -27.960 -58.286 1.00 0.00 C ATOM 1083 CG LYS A 70 29.131 -27.434 -58.933 1.00 0.00 C ATOM 1084 CD LYS A 70 29.689 -26.125 -58.307 1.00 0.00 C ATOM 1085 CE LYS A 70 31.134 -25.812 -58.736 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.061 -26.913 -58.346 1.00 0.00 N ATOM 0 H LYS A 70 26.201 -29.592 -57.265 1.00 0.00 H new ATOM 0 HA LYS A 70 28.885 -29.031 -56.746 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.413 -28.762 -58.910 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.073 -27.155 -58.299 1.00 0.00 H new ATOM 0 HG2 LYS A 70 29.891 -28.211 -58.853 1.00 0.00 H new ATOM 0 HG3 LYS A 70 28.957 -27.266 -59.996 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.045 -25.292 -58.590 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.649 -26.204 -57.221 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.172 -25.666 -59.815 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.459 -24.879 -58.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.039 -26.559 -58.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.815 -27.253 -57.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.976 -27.695 -59.026 1.00 0.00 H new ATOM 1100 N GLN A 71 26.820 -26.642 -55.697 1.00 0.00 N ATOM 1101 CA GLN A 71 26.688 -25.447 -54.854 1.00 0.00 C ATOM 1102 C GLN A 71 26.787 -25.789 -53.359 1.00 0.00 C ATOM 1103 O GLN A 71 27.196 -24.944 -52.575 1.00 0.00 O ATOM 1104 CB GLN A 71 25.375 -24.695 -55.173 1.00 0.00 C ATOM 1105 CG GLN A 71 25.281 -24.148 -56.613 1.00 0.00 C ATOM 1106 CD GLN A 71 26.460 -23.254 -57.004 1.00 0.00 C ATOM 1107 OE1 GLN A 71 27.444 -23.724 -57.570 1.00 0.00 O ATOM 1108 NE2 GLN A 71 26.387 -21.975 -56.670 1.00 0.00 N ATOM 0 H GLN A 71 25.967 -26.887 -56.199 1.00 0.00 H new ATOM 0 HA GLN A 71 27.523 -24.786 -55.085 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.535 -25.367 -54.998 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.269 -23.864 -54.475 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.224 -24.985 -57.308 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.355 -23.582 -56.719 1.00 0.00 H new ATOM 0 HE21 GLN A 71 25.555 -21.617 -56.201 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.163 -21.347 -56.882 1.00 0.00 H new ATOM 1117 N LEU A 72 26.443 -27.040 -52.990 1.00 0.00 N ATOM 1118 CA LEU A 72 26.522 -27.520 -51.590 1.00 0.00 C ATOM 1119 C LEU A 72 28.000 -27.634 -51.176 1.00 0.00 C ATOM 1120 O LEU A 72 28.426 -27.047 -50.184 1.00 0.00 O ATOM 1121 CB LEU A 72 25.794 -28.907 -51.443 1.00 0.00 C ATOM 1122 CG LEU A 72 25.250 -29.307 -50.021 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.347 -29.421 -48.950 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.128 -28.355 -49.576 1.00 0.00 C ATOM 0 H LEU A 72 26.105 -27.743 -53.647 1.00 0.00 H new ATOM 0 HA LEU A 72 26.021 -26.808 -50.934 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.954 -28.919 -52.138 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.487 -29.684 -51.767 1.00 0.00 H new ATOM 0 HG LEU A 72 24.837 -30.310 -50.125 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.897 -29.700 -47.997 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.068 -30.182 -49.247 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.854 -28.462 -48.845 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.768 -28.652 -48.591 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.512 -27.336 -49.530 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.307 -28.401 -50.291 1.00 0.00 H new ATOM 1136 N GLU A 73 28.763 -28.388 -51.977 1.00 0.00 N ATOM 1137 CA GLU A 73 30.150 -28.767 -51.667 1.00 0.00 C ATOM 1138 C GLU A 73 31.079 -27.544 -51.715 1.00 0.00 C ATOM 1139 O GLU A 73 31.935 -27.371 -50.833 1.00 0.00 O ATOM 1140 CB GLU A 73 30.592 -29.895 -52.638 1.00 0.00 C ATOM 1141 CG GLU A 73 29.709 -31.151 -52.519 1.00 0.00 C ATOM 1142 CD GLU A 73 30.045 -32.279 -53.506 1.00 0.00 C ATOM 1143 OE1 GLU A 73 29.441 -32.343 -54.601 1.00 0.00 O ATOM 1144 OE2 GLU A 73 30.904 -33.121 -53.182 1.00 0.00 O ATOM 0 H GLU A 73 28.432 -28.757 -52.869 1.00 0.00 H new ATOM 0 HA GLU A 73 30.213 -29.151 -50.649 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.555 -29.524 -53.662 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.629 -30.162 -52.433 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.793 -31.540 -51.504 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.669 -30.860 -52.664 1.00 0.00 H new ATOM 1151 N GLN A 74 30.867 -26.669 -52.727 1.00 0.00 N ATOM 1152 CA GLN A 74 31.614 -25.407 -52.842 1.00 0.00 C ATOM 1153 C GLN A 74 31.221 -24.430 -51.712 1.00 0.00 C ATOM 1154 O GLN A 74 32.044 -23.617 -51.299 1.00 0.00 O ATOM 1155 CB GLN A 74 31.480 -24.762 -54.264 1.00 0.00 C ATOM 1156 CG GLN A 74 30.082 -24.215 -54.669 1.00 0.00 C ATOM 1157 CD GLN A 74 29.714 -22.812 -54.142 1.00 0.00 C ATOM 1158 OE1 GLN A 74 28.550 -22.521 -53.884 1.00 0.00 O ATOM 1159 NE2 GLN A 74 30.701 -21.935 -53.972 1.00 0.00 N ATOM 0 H GLN A 74 30.185 -26.819 -53.471 1.00 0.00 H new ATOM 0 HA GLN A 74 32.672 -25.639 -52.720 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.196 -23.943 -54.332 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.778 -25.507 -55.002 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.025 -24.197 -55.757 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.326 -24.919 -54.322 1.00 0.00 H new ATOM 0 HE21 GLN A 74 31.661 -22.199 -54.193 1.00 0.00 H new ATOM 0 HE22 GLN A 74 30.497 -20.999 -53.621 1.00 0.00 H new ATOM 1168 N TYR A 75 29.961 -24.524 -51.217 1.00 0.00 N ATOM 1169 CA TYR A 75 29.494 -23.738 -50.050 1.00 0.00 C ATOM 1170 C TYR A 75 30.260 -24.150 -48.787 1.00 0.00 C ATOM 1171 O TYR A 75 30.619 -23.296 -47.989 1.00 0.00 O ATOM 1172 CB TYR A 75 27.961 -23.909 -49.831 1.00 0.00 C ATOM 1173 CG TYR A 75 27.370 -23.181 -48.610 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.798 -21.912 -48.719 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.371 -23.774 -47.345 1.00 0.00 C ATOM 1176 CE1 TYR A 75 26.255 -21.273 -47.618 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.836 -23.137 -46.254 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.279 -21.898 -46.388 1.00 0.00 C ATOM 1179 OH TYR A 75 25.737 -21.285 -45.286 1.00 0.00 O ATOM 0 H TYR A 75 29.249 -25.139 -51.611 1.00 0.00 H new ATOM 0 HA TYR A 75 29.690 -22.686 -50.255 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.445 -23.557 -50.724 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.744 -24.973 -49.735 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.779 -21.420 -49.680 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.803 -24.756 -47.223 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.815 -20.292 -47.721 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.856 -23.617 -45.287 1.00 0.00 H new ATOM 0 HH TYR A 75 25.840 -21.867 -44.504 1.00 0.00 H new ATOM 1189 N LEU A 76 30.492 -25.466 -48.620 1.00 0.00 N ATOM 1190 CA LEU A 76 31.156 -26.021 -47.419 1.00 0.00 C ATOM 1191 C LEU A 76 32.643 -25.606 -47.348 1.00 0.00 C ATOM 1192 O LEU A 76 33.168 -25.339 -46.264 1.00 0.00 O ATOM 1193 CB LEU A 76 31.019 -27.569 -47.381 1.00 0.00 C ATOM 1194 CG LEU A 76 29.560 -28.131 -47.337 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.559 -29.671 -47.243 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.739 -27.489 -46.194 1.00 0.00 C ATOM 0 H LEU A 76 30.228 -26.172 -49.307 1.00 0.00 H new ATOM 0 HA LEU A 76 30.654 -25.605 -46.545 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.518 -27.979 -48.259 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.556 -27.939 -46.507 1.00 0.00 H new ATOM 0 HG LEU A 76 29.073 -27.859 -48.274 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.531 -30.033 -47.214 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.067 -30.089 -48.112 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.078 -29.980 -46.336 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.731 -27.903 -46.193 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.219 -27.700 -45.238 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.688 -26.411 -46.344 1.00 0.00 H new ATOM 1208 N LYS A 77 33.314 -25.549 -48.512 1.00 0.00 N ATOM 1209 CA LYS A 77 34.746 -25.168 -48.596 1.00 0.00 C ATOM 1210 C LYS A 77 34.925 -23.631 -48.680 1.00 0.00 C ATOM 1211 O LYS A 77 36.027 -23.123 -48.470 1.00 0.00 O ATOM 1212 CB LYS A 77 35.441 -25.928 -49.777 1.00 0.00 C ATOM 1213 CG LYS A 77 34.787 -25.781 -51.177 1.00 0.00 C ATOM 1214 CD LYS A 77 35.217 -24.516 -51.966 1.00 0.00 C ATOM 1215 CE LYS A 77 36.724 -24.470 -52.261 1.00 0.00 C ATOM 1216 NZ LYS A 77 37.085 -23.340 -53.151 1.00 0.00 N ATOM 0 H LYS A 77 32.890 -25.762 -49.415 1.00 0.00 H new ATOM 0 HA LYS A 77 35.243 -25.474 -47.676 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.473 -25.582 -49.845 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.476 -26.988 -49.527 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.030 -26.662 -51.770 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.704 -25.766 -51.057 1.00 0.00 H new ATOM 0 HD2 LYS A 77 34.668 -24.478 -52.907 1.00 0.00 H new ATOM 0 HD3 LYS A 77 34.937 -23.629 -51.398 1.00 0.00 H new ATOM 0 HE2 LYS A 77 37.274 -24.382 -51.324 1.00 0.00 H new ATOM 0 HE3 LYS A 77 37.031 -25.408 -52.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 38.111 -23.348 -53.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 36.581 -23.436 -54.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.817 -22.443 -52.699 1.00 0.00 H new ATOM 1230 N SER A 78 33.837 -22.898 -49.019 1.00 0.00 N ATOM 1231 CA SER A 78 33.830 -21.406 -49.029 1.00 0.00 C ATOM 1232 C SER A 78 33.313 -20.852 -47.685 1.00 0.00 C ATOM 1233 O SER A 78 33.579 -19.697 -47.335 1.00 0.00 O ATOM 1234 CB SER A 78 32.966 -20.871 -50.200 1.00 0.00 C ATOM 1235 OG SER A 78 32.996 -19.449 -50.286 1.00 0.00 O ATOM 0 H SER A 78 32.946 -23.314 -49.291 1.00 0.00 H new ATOM 0 HA SER A 78 34.855 -21.064 -49.171 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.324 -21.297 -51.137 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.936 -21.204 -50.071 1.00 0.00 H new ATOM 0 HG SER A 78 32.440 -19.155 -51.038 1.00 0.00 H new ATOM 1241 N HIS A 79 32.557 -21.685 -46.954 1.00 0.00 N ATOM 1242 CA HIS A 79 31.968 -21.350 -45.643 1.00 0.00 C ATOM 1243 C HIS A 79 32.195 -22.564 -44.711 1.00 0.00 C ATOM 1244 O HIS A 79 31.305 -23.418 -44.574 1.00 0.00 O ATOM 1245 CB HIS A 79 30.446 -21.024 -45.771 1.00 0.00 C ATOM 1246 CG HIS A 79 30.123 -19.932 -46.762 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.650 -20.186 -48.037 1.00 0.00 N ATOM 1248 CD2 HIS A 79 30.199 -18.582 -46.658 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.455 -19.041 -48.670 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.779 -18.054 -47.857 1.00 0.00 N ATOM 0 H HIS A 79 32.332 -22.631 -47.262 1.00 0.00 H new ATOM 0 HA HIS A 79 32.444 -20.459 -45.234 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.916 -21.931 -46.063 1.00 0.00 H new ATOM 0 HB3 HIS A 79 30.066 -20.733 -44.792 1.00 0.00 H new ATOM 0 HD2 HIS A 79 30.528 -18.024 -45.794 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.092 -18.933 -49.681 1.00 0.00 H new ATOM 0 HE2 HIS A 79 29.727 -17.060 -48.081 1.00 0.00 H new ATOM 1259 N PRO A 80 33.439 -22.709 -44.142 1.00 0.00 N ATOM 1260 CA PRO A 80 33.802 -23.839 -43.242 1.00 0.00 C ATOM 1261 C PRO A 80 32.954 -23.874 -41.952 1.00 0.00 C ATOM 1262 O PRO A 80 32.592 -22.829 -41.411 1.00 0.00 O ATOM 1263 CB PRO A 80 35.306 -23.580 -42.930 1.00 0.00 C ATOM 1264 CG PRO A 80 35.506 -22.120 -43.197 1.00 0.00 C ATOM 1265 CD PRO A 80 34.599 -21.800 -44.357 1.00 0.00 C ATOM 0 HA PRO A 80 33.617 -24.808 -43.705 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.544 -23.829 -41.896 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.952 -24.190 -43.562 1.00 0.00 H new ATOM 0 HG2 PRO A 80 35.252 -21.522 -42.322 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.546 -21.903 -43.440 1.00 0.00 H new ATOM 0 HD2 PRO A 80 34.296 -20.753 -44.355 1.00 0.00 H new ATOM 0 HD3 PRO A 80 35.087 -21.988 -45.313 1.00 0.00 H new ATOM 1273 N GLY A 81 32.636 -25.093 -41.484 1.00 0.00 N ATOM 1274 CA GLY A 81 31.872 -25.292 -40.251 1.00 0.00 C ATOM 1275 C GLY A 81 30.513 -25.939 -40.497 1.00 0.00 C ATOM 1276 O GLY A 81 30.044 -26.718 -39.665 1.00 0.00 O ATOM 0 H GLY A 81 32.902 -25.960 -41.950 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.448 -25.916 -39.568 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.728 -24.330 -39.759 1.00 0.00 H new ATOM 1280 N ASN A 82 29.884 -25.629 -41.652 1.00 0.00 N ATOM 1281 CA ASN A 82 28.542 -26.148 -42.002 1.00 0.00 C ATOM 1282 C ASN A 82 28.579 -27.680 -42.264 1.00 0.00 C ATOM 1283 O ASN A 82 29.545 -28.170 -42.859 1.00 0.00 O ATOM 1284 CB ASN A 82 27.964 -25.403 -43.241 1.00 0.00 C ATOM 1285 CG ASN A 82 27.674 -23.929 -42.957 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.601 -23.585 -42.472 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.610 -23.049 -43.288 1.00 0.00 N ATOM 0 H ASN A 82 30.287 -25.018 -42.362 1.00 0.00 H new ATOM 0 HA ASN A 82 27.888 -25.965 -41.150 1.00 0.00 H new ATOM 0 HB2 ASN A 82 28.670 -25.478 -44.068 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.046 -25.895 -43.561 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.448 -22.053 -43.141 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.492 -23.369 -43.689 1.00 0.00 H new ATOM 1294 N PRO A 83 27.529 -28.444 -41.794 1.00 0.00 N ATOM 1295 CA PRO A 83 27.429 -29.935 -41.932 1.00 0.00 C ATOM 1296 C PRO A 83 27.746 -30.491 -43.348 1.00 0.00 C ATOM 1297 O PRO A 83 27.475 -29.831 -44.355 1.00 0.00 O ATOM 1298 CB PRO A 83 25.955 -30.210 -41.559 1.00 0.00 C ATOM 1299 CG PRO A 83 25.593 -29.128 -40.597 1.00 0.00 C ATOM 1300 CD PRO A 83 26.357 -27.902 -41.048 1.00 0.00 C ATOM 0 HA PRO A 83 28.170 -30.431 -41.305 1.00 0.00 H new ATOM 0 HB2 PRO A 83 25.314 -30.186 -42.440 1.00 0.00 H new ATOM 0 HB3 PRO A 83 25.839 -31.195 -41.107 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.519 -28.943 -40.603 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.864 -29.404 -39.578 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.743 -27.264 -41.683 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.673 -27.297 -40.198 1.00 0.00 H new ATOM 1308 N ALA A 84 28.262 -31.737 -43.393 1.00 0.00 N ATOM 1309 CA ALA A 84 28.795 -32.374 -44.623 1.00 0.00 C ATOM 1310 C ALA A 84 27.682 -32.759 -45.607 1.00 0.00 C ATOM 1311 O ALA A 84 26.539 -32.936 -45.212 1.00 0.00 O ATOM 1312 CB ALA A 84 29.618 -33.616 -44.242 1.00 0.00 C ATOM 0 H ALA A 84 28.322 -32.338 -42.571 1.00 0.00 H new ATOM 0 HA ALA A 84 29.431 -31.646 -45.127 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.010 -34.084 -45.145 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.446 -33.320 -43.598 1.00 0.00 H new ATOM 0 HB3 ALA A 84 28.982 -34.325 -43.712 1.00 0.00 H new ATOM 1318 N ILE A 85 28.036 -32.913 -46.895 1.00 0.00 N ATOM 1319 CA ILE A 85 27.084 -33.385 -47.918 1.00 0.00 C ATOM 1320 C ILE A 85 26.880 -34.913 -47.795 1.00 0.00 C ATOM 1321 O ILE A 85 25.842 -35.445 -48.207 1.00 0.00 O ATOM 1322 CB ILE A 85 27.521 -32.991 -49.383 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.340 -33.227 -50.384 1.00 0.00 C ATOM 1324 CG2 ILE A 85 28.808 -33.734 -49.832 1.00 0.00 C ATOM 1325 CD1 ILE A 85 26.590 -32.751 -51.797 1.00 0.00 C ATOM 0 H ILE A 85 28.971 -32.718 -47.252 1.00 0.00 H new ATOM 0 HA ILE A 85 26.135 -32.882 -47.732 1.00 0.00 H new ATOM 0 HB ILE A 85 27.765 -31.929 -49.382 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.115 -34.293 -50.411 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.453 -32.724 -50.000 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.069 -33.430 -50.846 1.00 0.00 H new ATOM 0 HG22 ILE A 85 29.626 -33.485 -49.157 1.00 0.00 H new ATOM 0 HG23 ILE A 85 28.634 -34.810 -49.809 1.00 0.00 H new ATOM 0 HD11 ILE A 85 25.714 -32.960 -52.411 1.00 0.00 H new ATOM 0 HD12 ILE A 85 26.782 -31.678 -51.791 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.454 -33.272 -52.209 1.00 0.00 H new ATOM 1337 N ALA A 86 27.865 -35.597 -47.175 1.00 0.00 N ATOM 1338 CA ALA A 86 27.833 -37.060 -46.946 1.00 0.00 C ATOM 1339 C ALA A 86 26.692 -37.488 -45.995 1.00 0.00 C ATOM 1340 O ALA A 86 26.316 -38.665 -45.959 1.00 0.00 O ATOM 1341 CB ALA A 86 29.189 -37.538 -46.395 1.00 0.00 C ATOM 0 H ALA A 86 28.709 -35.149 -46.817 1.00 0.00 H new ATOM 0 HA ALA A 86 27.640 -37.531 -47.910 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.155 -38.615 -46.230 1.00 0.00 H new ATOM 0 HB2 ALA A 86 29.976 -37.305 -47.113 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.397 -37.033 -45.452 1.00 0.00 H new ATOM 1347 N GLU A 87 26.163 -36.531 -45.206 1.00 0.00 N ATOM 1348 CA GLU A 87 24.993 -36.759 -44.330 1.00 0.00 C ATOM 1349 C GLU A 87 23.707 -36.155 -44.957 1.00 0.00 C ATOM 1350 O GLU A 87 22.596 -36.462 -44.517 1.00 0.00 O ATOM 1351 CB GLU A 87 25.256 -36.167 -42.915 1.00 0.00 C ATOM 1352 CG GLU A 87 25.530 -34.653 -42.897 1.00 0.00 C ATOM 1353 CD GLU A 87 25.730 -34.066 -41.489 1.00 0.00 C ATOM 1354 OE1 GLU A 87 24.774 -34.115 -40.681 1.00 0.00 O ATOM 1355 OE2 GLU A 87 26.831 -33.535 -41.193 1.00 0.00 O ATOM 0 H GLU A 87 26.532 -35.581 -45.157 1.00 0.00 H new ATOM 0 HA GLU A 87 24.840 -37.833 -44.229 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.393 -36.375 -42.282 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.108 -36.683 -42.472 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.419 -34.449 -43.493 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.698 -34.139 -43.378 1.00 0.00 H new ATOM 1362 N PHE A 88 23.875 -35.284 -45.978 1.00 0.00 N ATOM 1363 CA PHE A 88 22.753 -34.626 -46.690 1.00 0.00 C ATOM 1364 C PHE A 88 22.169 -35.565 -47.744 1.00 0.00 C ATOM 1365 O PHE A 88 22.837 -35.897 -48.726 1.00 0.00 O ATOM 1366 CB PHE A 88 23.226 -33.306 -47.372 1.00 0.00 C ATOM 1367 CG PHE A 88 23.502 -32.133 -46.433 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.660 -30.854 -46.947 1.00 0.00 C ATOM 1369 CD2 PHE A 88 23.598 -32.293 -45.051 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.903 -29.779 -46.122 1.00 0.00 C ATOM 1371 CE2 PHE A 88 23.844 -31.216 -44.233 1.00 0.00 C ATOM 1372 CZ PHE A 88 23.998 -29.961 -44.767 1.00 0.00 C ATOM 0 H PHE A 88 24.793 -35.017 -46.333 1.00 0.00 H new ATOM 0 HA PHE A 88 21.984 -34.386 -45.956 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.135 -33.516 -47.936 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.467 -32.999 -48.092 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.591 -30.699 -48.014 1.00 0.00 H new ATOM 0 HD2 PHE A 88 23.478 -33.275 -44.618 1.00 0.00 H new ATOM 0 HE1 PHE A 88 24.019 -28.791 -46.543 1.00 0.00 H new ATOM 0 HE2 PHE A 88 23.916 -31.358 -43.165 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.194 -29.118 -44.120 1.00 0.00 H new ATOM 1382 N ASP A 89 20.922 -35.987 -47.523 1.00 0.00 N ATOM 1383 CA ASP A 89 20.184 -36.845 -48.452 1.00 0.00 C ATOM 1384 C ASP A 89 19.601 -35.990 -49.590 1.00 0.00 C ATOM 1385 O ASP A 89 18.886 -35.021 -49.335 1.00 0.00 O ATOM 1386 CB ASP A 89 19.038 -37.599 -47.711 1.00 0.00 C ATOM 1387 CG ASP A 89 18.148 -38.401 -48.665 1.00 0.00 C ATOM 1388 OD1 ASP A 89 17.192 -37.827 -49.198 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.410 -39.596 -48.893 1.00 0.00 O ATOM 0 H ASP A 89 20.392 -35.741 -46.687 1.00 0.00 H new ATOM 0 HA ASP A 89 20.869 -37.584 -48.867 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.470 -38.272 -46.971 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.426 -36.879 -47.168 1.00 0.00 H new ATOM 1394 N TRP A 90 19.916 -36.363 -50.832 1.00 0.00 N ATOM 1395 CA TRP A 90 19.285 -35.809 -52.051 1.00 0.00 C ATOM 1396 C TRP A 90 18.423 -36.900 -52.732 1.00 0.00 C ATOM 1397 O TRP A 90 17.663 -36.616 -53.658 1.00 0.00 O ATOM 1398 CB TRP A 90 20.379 -35.321 -53.041 1.00 0.00 C ATOM 1399 CG TRP A 90 21.326 -34.287 -52.463 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.410 -34.520 -51.660 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.284 -32.867 -52.663 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.021 -33.341 -51.338 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.355 -32.315 -51.947 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.441 -32.014 -53.377 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.606 -30.951 -51.924 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.690 -30.654 -53.350 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.769 -30.135 -52.629 1.00 0.00 C ATOM 0 H TRP A 90 20.626 -37.068 -51.032 1.00 0.00 H new ATOM 0 HA TRP A 90 18.653 -34.966 -51.772 1.00 0.00 H new ATOM 0 HB2 TRP A 90 20.959 -36.181 -53.376 1.00 0.00 H new ATOM 0 HB3 TRP A 90 19.894 -34.901 -53.922 1.00 0.00 H new ATOM 0 HD1 TRP A 90 22.735 -35.495 -51.329 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.841 -33.243 -50.740 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.609 -32.409 -53.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.438 -30.547 -51.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.041 -29.983 -53.894 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.944 -29.069 -52.630 1.00 0.00 H new ATOM 1418 N THR A 91 18.534 -38.147 -52.227 1.00 0.00 N ATOM 1419 CA THR A 91 18.085 -39.368 -52.928 1.00 0.00 C ATOM 1420 C THR A 91 16.803 -39.981 -52.301 1.00 0.00 C ATOM 1421 O THR A 91 16.438 -41.123 -52.621 1.00 0.00 O ATOM 1422 CB THR A 91 19.265 -40.414 -53.006 1.00 0.00 C ATOM 1423 OG1 THR A 91 18.868 -41.569 -53.759 1.00 0.00 O ATOM 1424 CG2 THR A 91 19.762 -40.852 -51.615 1.00 0.00 C ATOM 0 H THR A 91 18.942 -38.336 -51.312 1.00 0.00 H new ATOM 0 HA THR A 91 17.808 -39.085 -53.944 1.00 0.00 H new ATOM 0 HB THR A 91 20.091 -39.912 -53.509 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.925 -41.768 -53.579 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.573 -41.571 -51.728 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.123 -39.982 -51.067 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.942 -41.313 -51.064 1.00 0.00 H new