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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.514 K(o=0.51,f=-1.6!) USER MOD Set 2.1: A 67 SER OG : rot 33:sc= 0.0607 USER MOD Set 2.2: A 68 ASN : amide:sc= -0.83 K(o=-0.77,f=-5.1!) USER MOD Single : A 30 SER OG : rot 39:sc= 0.15 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= -2.18 (180deg=-2.2) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -23:sc= 0.136 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= -0.0373 (180deg=-0.177) USER MOD Single : A 71 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.19) USER MOD Single : A 74 GLN : amide:sc= -0.0751 K(o=-0.075,f=-1.4) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.44 K(o=0.44,f=-2.2!) USER MOD Single : A 91 THR OG1 : rot -36:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.863 -28.113 -55.774 1.00 0.00 N ATOM 430 CA VAL A 29 4.023 -29.053 -54.655 1.00 0.00 C ATOM 431 C VAL A 29 5.520 -29.177 -54.308 1.00 0.00 C ATOM 432 O VAL A 29 6.366 -29.350 -55.195 1.00 0.00 O ATOM 433 CB VAL A 29 3.383 -30.469 -54.960 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.847 -30.352 -55.143 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.037 -31.164 -56.191 1.00 0.00 C ATOM 0 HA VAL A 29 3.482 -28.657 -53.795 1.00 0.00 H new ATOM 0 HB VAL A 29 3.584 -31.101 -54.095 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.429 -31.337 -55.352 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.401 -29.954 -54.231 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.630 -29.682 -55.975 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.562 -32.131 -56.357 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.906 -30.539 -57.074 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.101 -31.309 -56.004 1.00 0.00 H new ATOM 445 N SER A 30 5.836 -29.049 -53.013 1.00 0.00 N ATOM 446 CA SER A 30 7.207 -29.093 -52.497 1.00 0.00 C ATOM 447 C SER A 30 7.167 -29.481 -51.011 1.00 0.00 C ATOM 448 O SER A 30 6.552 -28.787 -50.192 1.00 0.00 O ATOM 449 CB SER A 30 7.898 -27.728 -52.712 1.00 0.00 C ATOM 450 OG SER A 30 7.130 -26.664 -52.166 1.00 0.00 O ATOM 0 H SER A 30 5.135 -28.910 -52.285 1.00 0.00 H new ATOM 0 HA SER A 30 7.789 -29.841 -53.036 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.884 -27.741 -52.248 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.049 -27.559 -53.778 1.00 0.00 H new ATOM 0 HG SER A 30 6.731 -26.950 -51.318 1.00 0.00 H new ATOM 456 N VAL A 31 7.794 -30.619 -50.680 1.00 0.00 N ATOM 457 CA VAL A 31 7.817 -31.177 -49.318 1.00 0.00 C ATOM 458 C VAL A 31 9.208 -30.955 -48.709 1.00 0.00 C ATOM 459 O VAL A 31 10.213 -31.335 -49.314 1.00 0.00 O ATOM 460 CB VAL A 31 7.470 -32.718 -49.326 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.420 -33.310 -47.888 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.145 -32.985 -50.087 1.00 0.00 C ATOM 0 H VAL A 31 8.305 -31.185 -51.357 1.00 0.00 H new ATOM 0 HA VAL A 31 7.062 -30.669 -48.718 1.00 0.00 H new ATOM 0 HB VAL A 31 8.275 -33.228 -49.855 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.178 -34.372 -47.940 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.390 -33.182 -47.408 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.657 -32.792 -47.308 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.929 -34.053 -50.078 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.331 -32.446 -49.601 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.242 -32.643 -51.118 1.00 0.00 H new ATOM 472 N GLU A 32 9.258 -30.325 -47.522 1.00 0.00 N ATOM 473 CA GLU A 32 10.518 -30.061 -46.804 1.00 0.00 C ATOM 474 C GLU A 32 10.984 -31.331 -46.069 1.00 0.00 C ATOM 475 O GLU A 32 10.461 -31.678 -45.004 1.00 0.00 O ATOM 476 CB GLU A 32 10.354 -28.877 -45.812 1.00 0.00 C ATOM 477 CG GLU A 32 9.914 -27.556 -46.466 1.00 0.00 C ATOM 478 CD GLU A 32 9.744 -26.414 -45.451 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.657 -25.568 -45.317 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.697 -26.367 -44.766 1.00 0.00 O ATOM 0 H GLU A 32 8.429 -29.985 -47.034 1.00 0.00 H new ATOM 0 HA GLU A 32 11.279 -29.781 -47.532 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.622 -29.154 -45.053 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.302 -28.716 -45.298 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.651 -27.264 -47.214 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.972 -27.712 -46.991 1.00 0.00 H new ATOM 487 N LEU A 33 11.966 -32.015 -46.669 1.00 0.00 N ATOM 488 CA LEU A 33 12.507 -33.303 -46.180 1.00 0.00 C ATOM 489 C LEU A 33 13.542 -33.070 -45.038 1.00 0.00 C ATOM 490 O LEU A 33 14.180 -32.008 -45.000 1.00 0.00 O ATOM 491 CB LEU A 33 13.134 -34.084 -47.391 1.00 0.00 C ATOM 492 CG LEU A 33 12.215 -35.072 -48.183 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.946 -36.352 -47.383 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.901 -34.408 -48.610 1.00 0.00 C ATOM 0 H LEU A 33 12.419 -31.689 -47.523 1.00 0.00 H new ATOM 0 HA LEU A 33 11.704 -33.905 -45.756 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.522 -33.350 -48.097 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.988 -34.649 -47.018 1.00 0.00 H new ATOM 0 HG LEU A 33 12.753 -35.350 -49.089 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.305 -37.015 -47.963 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.890 -36.854 -47.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.452 -36.098 -46.445 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.291 -35.127 -49.157 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.360 -34.071 -47.726 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.117 -33.553 -49.251 1.00 0.00 H new ATOM 506 N PRO A 34 13.724 -34.066 -44.095 1.00 0.00 N ATOM 507 CA PRO A 34 14.653 -33.928 -42.931 1.00 0.00 C ATOM 508 C PRO A 34 16.143 -33.758 -43.327 1.00 0.00 C ATOM 509 O PRO A 34 16.649 -34.457 -44.201 1.00 0.00 O ATOM 510 CB PRO A 34 14.431 -35.252 -42.137 1.00 0.00 C ATOM 511 CG PRO A 34 13.904 -36.212 -43.156 1.00 0.00 C ATOM 512 CD PRO A 34 13.016 -35.385 -44.048 1.00 0.00 C ATOM 0 HA PRO A 34 14.439 -33.024 -42.361 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.361 -35.611 -41.696 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.723 -35.112 -41.320 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.715 -36.671 -43.722 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.346 -37.021 -42.685 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.917 -35.826 -45.040 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.010 -35.289 -43.640 1.00 0.00 H new ATOM 520 N ALA A 35 16.828 -32.842 -42.630 1.00 0.00 N ATOM 521 CA ALA A 35 18.247 -32.504 -42.869 1.00 0.00 C ATOM 522 C ALA A 35 18.917 -32.147 -41.510 1.00 0.00 C ATOM 523 O ALA A 35 18.190 -32.026 -40.513 1.00 0.00 O ATOM 524 CB ALA A 35 18.312 -31.334 -43.875 1.00 0.00 C ATOM 0 H ALA A 35 16.410 -32.304 -41.871 1.00 0.00 H new ATOM 0 HA ALA A 35 18.789 -33.348 -43.296 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.353 -31.072 -44.062 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.839 -31.632 -44.811 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.789 -30.471 -43.463 1.00 0.00 H new ATOM 530 N PRO A 36 20.297 -31.991 -41.414 1.00 0.00 N ATOM 531 CA PRO A 36 20.974 -31.518 -40.161 1.00 0.00 C ATOM 532 C PRO A 36 20.345 -30.214 -39.614 1.00 0.00 C ATOM 533 O PRO A 36 19.939 -29.365 -40.397 1.00 0.00 O ATOM 534 CB PRO A 36 22.454 -31.286 -40.606 1.00 0.00 C ATOM 535 CG PRO A 36 22.426 -31.324 -42.109 1.00 0.00 C ATOM 536 CD PRO A 36 21.307 -32.270 -42.474 1.00 0.00 C ATOM 0 HA PRO A 36 20.879 -32.236 -39.347 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.828 -30.329 -40.243 1.00 0.00 H new ATOM 0 HB3 PRO A 36 23.111 -32.058 -40.205 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.249 -30.331 -42.522 1.00 0.00 H new ATOM 0 HG3 PRO A 36 23.378 -31.671 -42.510 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.915 -32.071 -43.472 1.00 0.00 H new ATOM 0 HD3 PRO A 36 21.633 -33.310 -42.461 1.00 0.00 H new ATOM 544 N SER A 37 20.300 -30.064 -38.273 1.00 0.00 N ATOM 545 CA SER A 37 19.570 -28.955 -37.591 1.00 0.00 C ATOM 546 C SER A 37 20.149 -27.558 -37.912 1.00 0.00 C ATOM 547 O SER A 37 19.461 -26.545 -37.729 1.00 0.00 O ATOM 548 CB SER A 37 19.547 -29.196 -36.066 1.00 0.00 C ATOM 549 OG SER A 37 18.906 -30.423 -35.763 1.00 0.00 O ATOM 0 H SER A 37 20.765 -30.702 -37.627 1.00 0.00 H new ATOM 0 HA SER A 37 18.551 -28.961 -37.979 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.566 -29.207 -35.679 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.027 -28.376 -35.571 1.00 0.00 H new ATOM 0 HG SER A 37 18.903 -30.559 -34.793 1.00 0.00 H new ATOM 555 N SER A 38 21.412 -27.514 -38.377 1.00 0.00 N ATOM 556 CA SER A 38 22.061 -26.271 -38.836 1.00 0.00 C ATOM 557 C SER A 38 21.465 -25.828 -40.185 1.00 0.00 C ATOM 558 O SER A 38 21.214 -24.646 -40.413 1.00 0.00 O ATOM 559 CB SER A 38 23.583 -26.492 -38.956 1.00 0.00 C ATOM 560 OG SER A 38 24.111 -26.942 -37.720 1.00 0.00 O ATOM 0 H SER A 38 22.010 -28.337 -38.445 1.00 0.00 H new ATOM 0 HA SER A 38 21.880 -25.480 -38.108 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.791 -27.224 -39.737 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.071 -25.563 -39.251 1.00 0.00 H new ATOM 0 HG SER A 38 25.077 -27.081 -37.808 1.00 0.00 H new ATOM 566 N TRP A 39 21.219 -26.820 -41.056 1.00 0.00 N ATOM 567 CA TRP A 39 20.641 -26.615 -42.393 1.00 0.00 C ATOM 568 C TRP A 39 19.165 -27.055 -42.403 1.00 0.00 C ATOM 569 O TRP A 39 18.538 -27.247 -41.352 1.00 0.00 O ATOM 570 CB TRP A 39 21.472 -27.407 -43.452 1.00 0.00 C ATOM 571 CG TRP A 39 22.819 -26.799 -43.768 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.870 -26.619 -42.911 1.00 0.00 C ATOM 573 CD2 TRP A 39 23.248 -26.285 -45.032 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.922 -26.042 -43.570 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.567 -25.831 -44.871 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.651 -26.178 -46.288 1.00 0.00 C ATOM 577 CZ2 TRP A 39 25.297 -25.274 -45.911 1.00 0.00 C ATOM 578 CZ3 TRP A 39 23.372 -25.619 -47.322 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.687 -25.176 -47.130 1.00 0.00 C ATOM 0 H TRP A 39 21.419 -27.799 -40.848 1.00 0.00 H new ATOM 0 HA TRP A 39 20.679 -25.556 -42.648 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.622 -28.425 -43.092 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.893 -27.477 -44.373 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.870 -26.892 -41.866 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.824 -25.808 -43.156 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.642 -26.527 -46.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.310 -24.930 -45.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.915 -25.521 -48.296 1.00 0.00 H new ATOM 0 HH2 TRP A 39 25.229 -24.749 -47.961 1.00 0.00 H new ATOM 590 N LYS A 40 18.624 -27.140 -43.613 1.00 0.00 N ATOM 591 CA LYS A 40 17.299 -27.700 -43.914 1.00 0.00 C ATOM 592 C LYS A 40 17.334 -28.142 -45.387 1.00 0.00 C ATOM 593 O LYS A 40 18.314 -27.865 -46.086 1.00 0.00 O ATOM 594 CB LYS A 40 16.205 -26.622 -43.655 1.00 0.00 C ATOM 595 CG LYS A 40 14.738 -27.090 -43.821 1.00 0.00 C ATOM 596 CD LYS A 40 13.717 -25.993 -43.440 1.00 0.00 C ATOM 597 CE LYS A 40 13.799 -25.603 -41.950 1.00 0.00 C ATOM 598 NZ LYS A 40 12.827 -24.542 -41.597 1.00 0.00 N ATOM 0 H LYS A 40 19.110 -26.810 -44.447 1.00 0.00 H new ATOM 0 HA LYS A 40 17.058 -28.552 -43.278 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.331 -26.241 -42.642 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.378 -25.787 -44.334 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.572 -27.392 -44.855 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.569 -27.970 -43.200 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.892 -25.109 -44.054 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.710 -26.344 -43.666 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.613 -26.483 -41.335 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.808 -25.261 -41.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.917 -24.311 -40.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.019 -23.692 -42.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.862 -24.877 -41.791 1.00 0.00 H new ATOM 612 N LYS A 41 16.307 -28.859 -45.862 1.00 0.00 N ATOM 613 CA LYS A 41 16.182 -29.155 -47.292 1.00 0.00 C ATOM 614 C LYS A 41 14.724 -29.320 -47.686 1.00 0.00 C ATOM 615 O LYS A 41 13.865 -29.673 -46.872 1.00 0.00 O ATOM 616 CB LYS A 41 17.011 -30.389 -47.722 1.00 0.00 C ATOM 617 CG LYS A 41 16.391 -31.774 -47.431 1.00 0.00 C ATOM 618 CD LYS A 41 17.208 -32.903 -48.086 1.00 0.00 C ATOM 619 CE LYS A 41 16.505 -34.250 -48.100 1.00 0.00 C ATOM 620 NZ LYS A 41 16.299 -34.804 -46.745 1.00 0.00 N ATOM 0 H LYS A 41 15.559 -29.240 -45.283 1.00 0.00 H new ATOM 0 HA LYS A 41 16.594 -28.298 -47.825 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.198 -30.318 -48.794 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.980 -30.338 -47.226 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.344 -31.934 -46.354 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.367 -31.801 -47.802 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.444 -32.618 -49.111 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.155 -33.005 -47.557 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.540 -34.145 -48.595 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.091 -34.954 -48.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.801 -35.714 -46.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.221 -34.948 -46.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.730 -34.140 -46.181 1.00 0.00 H new ATOM 634 N LEU A 42 14.492 -29.049 -48.954 1.00 0.00 N ATOM 635 CA LEU A 42 13.207 -29.151 -49.614 1.00 0.00 C ATOM 636 C LEU A 42 13.390 -30.026 -50.859 1.00 0.00 C ATOM 637 O LEU A 42 14.325 -29.823 -51.631 1.00 0.00 O ATOM 638 CB LEU A 42 12.691 -27.699 -49.932 1.00 0.00 C ATOM 639 CG LEU A 42 11.599 -27.510 -51.050 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.760 -26.226 -50.840 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.243 -27.456 -52.450 1.00 0.00 C ATOM 0 H LEU A 42 15.231 -28.736 -49.583 1.00 0.00 H new ATOM 0 HA LEU A 42 12.448 -29.623 -48.990 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.293 -27.280 -49.008 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.555 -27.095 -50.209 1.00 0.00 H new ATOM 0 HG LEU A 42 10.938 -28.374 -50.978 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.021 -26.140 -51.636 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.252 -26.277 -49.877 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.416 -25.356 -50.858 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.466 -27.325 -53.203 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.940 -26.619 -52.498 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.779 -28.386 -52.640 1.00 0.00 H new ATOM 653 N PHE A 43 12.514 -31.014 -51.022 1.00 0.00 N ATOM 654 CA PHE A 43 12.416 -31.822 -52.245 1.00 0.00 C ATOM 655 C PHE A 43 11.221 -31.320 -53.080 1.00 0.00 C ATOM 656 O PHE A 43 10.181 -30.952 -52.526 1.00 0.00 O ATOM 657 CB PHE A 43 12.255 -33.321 -51.875 1.00 0.00 C ATOM 658 CG PHE A 43 11.978 -34.256 -53.060 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.828 -34.291 -54.169 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.867 -35.101 -53.057 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.568 -35.131 -55.238 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.612 -35.940 -54.126 1.00 0.00 C ATOM 663 CZ PHE A 43 11.461 -35.959 -55.213 1.00 0.00 C ATOM 0 H PHE A 43 11.842 -31.283 -50.303 1.00 0.00 H new ATOM 0 HA PHE A 43 13.325 -31.721 -52.838 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.163 -33.655 -51.373 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.440 -33.417 -51.158 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.700 -33.654 -54.192 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.198 -35.099 -52.209 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.230 -35.140 -56.091 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.745 -36.583 -54.110 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.261 -36.620 -56.044 1.00 0.00 H new ATOM 673 N TYR A 44 11.388 -31.284 -54.412 1.00 0.00 N ATOM 674 CA TYR A 44 10.280 -31.003 -55.354 1.00 0.00 C ATOM 675 C TYR A 44 9.746 -32.335 -55.944 1.00 0.00 C ATOM 676 O TYR A 44 10.359 -32.895 -56.859 1.00 0.00 O ATOM 677 CB TYR A 44 10.731 -30.051 -56.496 1.00 0.00 C ATOM 678 CG TYR A 44 10.562 -28.548 -56.225 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.627 -27.759 -55.795 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.321 -27.923 -56.395 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.459 -26.410 -55.545 1.00 0.00 C ATOM 682 CE2 TYR A 44 9.157 -26.574 -56.146 1.00 0.00 C ATOM 683 CZ TYR A 44 10.230 -25.826 -55.721 1.00 0.00 C ATOM 684 OH TYR A 44 10.082 -24.485 -55.469 1.00 0.00 O ATOM 0 H TYR A 44 12.285 -31.447 -54.869 1.00 0.00 H new ATOM 0 HA TYR A 44 9.483 -30.503 -54.804 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.782 -30.246 -56.711 1.00 0.00 H new ATOM 0 HB3 TYR A 44 10.170 -30.303 -57.396 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.599 -28.209 -55.655 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.475 -28.507 -56.727 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.296 -25.815 -55.211 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.192 -26.110 -56.284 1.00 0.00 H new ATOM 0 HH TYR A 44 9.154 -24.220 -55.641 1.00 0.00 H new ATOM 694 N PRO A 45 8.606 -32.879 -55.427 1.00 0.00 N ATOM 695 CA PRO A 45 7.978 -34.091 -55.995 1.00 0.00 C ATOM 696 C PRO A 45 7.148 -33.787 -57.253 1.00 0.00 C ATOM 697 O PRO A 45 6.890 -32.624 -57.584 1.00 0.00 O ATOM 698 CB PRO A 45 7.082 -34.575 -54.837 1.00 0.00 C ATOM 699 CG PRO A 45 6.665 -33.315 -54.139 1.00 0.00 C ATOM 700 CD PRO A 45 7.850 -32.379 -54.250 1.00 0.00 C ATOM 0 HA PRO A 45 8.708 -34.829 -56.327 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.219 -35.129 -55.207 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.625 -35.241 -54.166 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.779 -32.883 -54.605 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.414 -33.509 -53.096 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.529 -31.347 -54.393 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.460 -32.401 -53.347 1.00 0.00 H new ATOM 852 N GLU A 55 14.903 -32.091 -58.517 1.00 0.00 N ATOM 853 CA GLU A 55 15.833 -32.501 -57.456 1.00 0.00 C ATOM 854 C GLU A 55 15.781 -31.550 -56.235 1.00 0.00 C ATOM 855 O GLU A 55 15.075 -30.531 -56.223 1.00 0.00 O ATOM 856 CB GLU A 55 17.283 -32.613 -58.018 1.00 0.00 C ATOM 857 CG GLU A 55 17.790 -31.377 -58.813 1.00 0.00 C ATOM 858 CD GLU A 55 17.531 -31.447 -60.337 1.00 0.00 C ATOM 859 OE1 GLU A 55 18.393 -31.981 -61.070 1.00 0.00 O ATOM 860 OE2 GLU A 55 16.476 -30.972 -60.810 1.00 0.00 O ATOM 0 HA GLU A 55 15.518 -33.483 -57.104 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.964 -32.792 -57.186 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.336 -33.487 -58.667 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.310 -30.483 -58.416 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.861 -31.266 -58.644 1.00 0.00 H new ATOM 867 N VAL A 56 16.572 -31.896 -55.225 1.00 0.00 N ATOM 868 CA VAL A 56 16.513 -31.287 -53.897 1.00 0.00 C ATOM 869 C VAL A 56 17.298 -29.957 -53.852 1.00 0.00 C ATOM 870 O VAL A 56 18.287 -29.783 -54.562 1.00 0.00 O ATOM 871 CB VAL A 56 17.092 -32.294 -52.851 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.010 -31.746 -51.419 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.396 -33.675 -52.960 1.00 0.00 C ATOM 0 H VAL A 56 17.286 -32.620 -55.306 1.00 0.00 H new ATOM 0 HA VAL A 56 15.474 -31.061 -53.659 1.00 0.00 H new ATOM 0 HB VAL A 56 18.148 -32.428 -53.085 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.423 -32.478 -50.725 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.580 -30.819 -51.351 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.969 -31.551 -51.163 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.819 -34.355 -52.221 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.328 -33.559 -52.777 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.551 -34.083 -53.959 1.00 0.00 H new ATOM 883 N VAL A 57 16.804 -29.025 -53.024 1.00 0.00 N ATOM 884 CA VAL A 57 17.433 -27.727 -52.742 1.00 0.00 C ATOM 885 C VAL A 57 17.618 -27.618 -51.214 1.00 0.00 C ATOM 886 O VAL A 57 16.637 -27.638 -50.464 1.00 0.00 O ATOM 887 CB VAL A 57 16.547 -26.527 -53.265 1.00 0.00 C ATOM 888 CG1 VAL A 57 17.202 -25.152 -52.964 1.00 0.00 C ATOM 889 CG2 VAL A 57 16.227 -26.671 -54.779 1.00 0.00 C ATOM 0 H VAL A 57 15.929 -29.158 -52.517 1.00 0.00 H new ATOM 0 HA VAL A 57 18.391 -27.668 -53.258 1.00 0.00 H new ATOM 0 HB VAL A 57 15.604 -26.568 -52.719 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.562 -24.354 -53.339 1.00 0.00 H new ATOM 0 HG12 VAL A 57 17.331 -25.038 -51.888 1.00 0.00 H new ATOM 0 HG13 VAL A 57 18.174 -25.097 -53.453 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.616 -25.828 -55.104 1.00 0.00 H new ATOM 0 HG22 VAL A 57 17.157 -26.686 -55.348 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.683 -27.600 -54.949 1.00 0.00 H new ATOM 899 N PHE A 58 18.879 -27.543 -50.765 1.00 0.00 N ATOM 900 CA PHE A 58 19.230 -27.453 -49.334 1.00 0.00 C ATOM 901 C PHE A 58 19.236 -25.992 -48.860 1.00 0.00 C ATOM 902 O PHE A 58 19.959 -25.172 -49.401 1.00 0.00 O ATOM 903 CB PHE A 58 20.612 -28.113 -49.065 1.00 0.00 C ATOM 904 CG PHE A 58 20.569 -29.635 -48.986 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.469 -30.412 -50.133 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.623 -30.287 -47.755 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.436 -31.789 -50.054 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.589 -31.663 -47.680 1.00 0.00 C ATOM 909 CZ PHE A 58 20.495 -32.413 -48.833 1.00 0.00 C ATOM 0 H PHE A 58 19.690 -27.543 -51.384 1.00 0.00 H new ATOM 0 HA PHE A 58 18.471 -27.993 -48.768 1.00 0.00 H new ATOM 0 HB2 PHE A 58 21.303 -27.820 -49.856 1.00 0.00 H new ATOM 0 HB3 PHE A 58 21.014 -27.722 -48.130 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.416 -29.932 -51.099 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.692 -29.706 -46.847 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.363 -32.378 -50.956 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.636 -32.153 -46.719 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.468 -33.491 -48.775 1.00 0.00 H new ATOM 919 N VAL A 59 18.443 -25.696 -47.821 1.00 0.00 N ATOM 920 CA VAL A 59 18.398 -24.376 -47.182 1.00 0.00 C ATOM 921 C VAL A 59 19.562 -24.227 -46.196 1.00 0.00 C ATOM 922 O VAL A 59 19.786 -25.098 -45.353 1.00 0.00 O ATOM 923 CB VAL A 59 17.014 -24.143 -46.468 1.00 0.00 C ATOM 924 CG1 VAL A 59 17.080 -23.039 -45.377 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.926 -23.815 -47.511 1.00 0.00 C ATOM 0 H VAL A 59 17.809 -26.374 -47.397 1.00 0.00 H new ATOM 0 HA VAL A 59 18.502 -23.613 -47.953 1.00 0.00 H new ATOM 0 HB VAL A 59 16.756 -25.070 -45.957 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.098 -22.921 -44.919 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.805 -23.324 -44.614 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.384 -22.096 -45.832 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.974 -23.656 -47.005 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.204 -22.912 -48.055 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.831 -24.645 -48.211 1.00 0.00 H new ATOM 935 N ALA A 60 20.281 -23.102 -46.326 1.00 0.00 N ATOM 936 CA ALA A 60 21.458 -22.779 -45.498 1.00 0.00 C ATOM 937 C ALA A 60 21.041 -22.098 -44.175 1.00 0.00 C ATOM 938 O ALA A 60 19.966 -21.487 -44.114 1.00 0.00 O ATOM 939 CB ALA A 60 22.430 -21.882 -46.291 1.00 0.00 C ATOM 0 H ALA A 60 20.062 -22.382 -47.015 1.00 0.00 H new ATOM 0 HA ALA A 60 21.965 -23.710 -45.244 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.296 -21.648 -45.672 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.757 -22.405 -47.190 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.925 -20.958 -46.572 1.00 0.00 H new ATOM 945 N PRO A 61 21.911 -22.159 -43.103 1.00 0.00 N ATOM 946 CA PRO A 61 21.647 -21.474 -41.804 1.00 0.00 C ATOM 947 C PRO A 61 21.596 -19.930 -41.941 1.00 0.00 C ATOM 948 O PRO A 61 21.006 -19.241 -41.098 1.00 0.00 O ATOM 949 CB PRO A 61 22.850 -21.914 -40.912 1.00 0.00 C ATOM 950 CG PRO A 61 23.923 -22.305 -41.883 1.00 0.00 C ATOM 951 CD PRO A 61 23.194 -22.925 -43.052 1.00 0.00 C ATOM 0 HA PRO A 61 20.675 -21.745 -41.392 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.180 -21.102 -40.264 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.579 -22.748 -40.265 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.505 -21.438 -42.197 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.621 -23.012 -41.435 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.760 -22.824 -43.978 1.00 0.00 H new ATOM 0 HD3 PRO A 61 23.021 -23.990 -42.899 1.00 0.00 H new ATOM 959 N THR A 62 22.229 -19.409 -43.006 1.00 0.00 N ATOM 960 CA THR A 62 22.269 -17.966 -43.313 1.00 0.00 C ATOM 961 C THR A 62 21.099 -17.559 -44.243 1.00 0.00 C ATOM 962 O THR A 62 20.828 -16.367 -44.426 1.00 0.00 O ATOM 963 CB THR A 62 23.645 -17.588 -43.960 1.00 0.00 C ATOM 964 OG1 THR A 62 23.749 -16.167 -44.152 1.00 0.00 O ATOM 965 CG2 THR A 62 23.866 -18.298 -45.303 1.00 0.00 C ATOM 0 H THR A 62 22.732 -19.981 -43.684 1.00 0.00 H new ATOM 0 HA THR A 62 22.158 -17.416 -42.378 1.00 0.00 H new ATOM 0 HB THR A 62 24.417 -17.920 -43.266 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.851 -15.775 -44.188 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.832 -18.006 -45.714 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.848 -19.377 -45.151 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.075 -18.016 -45.998 1.00 0.00 H new ATOM 973 N GLY A 63 20.405 -18.560 -44.823 1.00 0.00 N ATOM 974 CA GLY A 63 19.303 -18.320 -45.769 1.00 0.00 C ATOM 975 C GLY A 63 19.737 -18.361 -47.238 1.00 0.00 C ATOM 976 O GLY A 63 18.882 -18.383 -48.130 1.00 0.00 O ATOM 0 H GLY A 63 20.593 -19.547 -44.649 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.527 -19.068 -45.607 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.858 -17.348 -45.557 1.00 0.00 H new ATOM 980 N GLU A 64 21.064 -18.361 -47.499 1.00 0.00 N ATOM 981 CA GLU A 64 21.617 -18.521 -48.864 1.00 0.00 C ATOM 982 C GLU A 64 21.562 -20.004 -49.265 1.00 0.00 C ATOM 983 O GLU A 64 22.558 -20.737 -49.162 1.00 0.00 O ATOM 984 CB GLU A 64 23.068 -17.963 -48.959 1.00 0.00 C ATOM 985 CG GLU A 64 23.675 -17.994 -50.378 1.00 0.00 C ATOM 986 CD GLU A 64 25.109 -17.456 -50.427 1.00 0.00 C ATOM 987 OE1 GLU A 64 26.059 -18.262 -50.422 1.00 0.00 O ATOM 988 OE2 GLU A 64 25.294 -16.216 -50.450 1.00 0.00 O ATOM 0 H GLU A 64 21.776 -18.251 -46.777 1.00 0.00 H new ATOM 0 HA GLU A 64 21.010 -17.942 -49.560 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.072 -16.934 -48.598 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.709 -18.538 -48.291 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.664 -19.019 -50.750 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.049 -17.405 -51.048 1.00 0.00 H new ATOM 995 N GLU A 65 20.353 -20.446 -49.652 1.00 0.00 N ATOM 996 CA GLU A 65 20.068 -21.854 -49.951 1.00 0.00 C ATOM 997 C GLU A 65 20.806 -22.309 -51.224 1.00 0.00 C ATOM 998 O GLU A 65 20.915 -21.556 -52.194 1.00 0.00 O ATOM 999 CB GLU A 65 18.536 -22.086 -50.072 1.00 0.00 C ATOM 1000 CG GLU A 65 17.819 -21.240 -51.145 1.00 0.00 C ATOM 1001 CD GLU A 65 16.292 -21.452 -51.171 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.783 -22.171 -52.062 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.596 -20.901 -50.288 1.00 0.00 O ATOM 0 H GLU A 65 19.546 -19.833 -49.766 1.00 0.00 H new ATOM 0 HA GLU A 65 20.437 -22.461 -49.124 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.362 -23.140 -50.289 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.077 -21.879 -49.105 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.029 -20.186 -50.966 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.229 -21.485 -52.125 1.00 0.00 H new ATOM 1010 N ILE A 66 21.341 -23.529 -51.173 1.00 0.00 N ATOM 1011 CA ILE A 66 22.085 -24.155 -52.269 1.00 0.00 C ATOM 1012 C ILE A 66 21.139 -25.038 -53.108 1.00 0.00 C ATOM 1013 O ILE A 66 20.430 -25.880 -52.554 1.00 0.00 O ATOM 1014 CB ILE A 66 23.251 -25.034 -51.708 1.00 0.00 C ATOM 1015 CG1 ILE A 66 24.143 -24.245 -50.689 1.00 0.00 C ATOM 1016 CG2 ILE A 66 24.089 -25.616 -52.856 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.830 -23.002 -51.230 1.00 0.00 C ATOM 0 H ILE A 66 21.268 -24.125 -50.348 1.00 0.00 H new ATOM 0 HA ILE A 66 22.504 -23.367 -52.896 1.00 0.00 H new ATOM 0 HB ILE A 66 22.805 -25.863 -51.158 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.522 -23.953 -49.842 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.907 -24.921 -50.306 1.00 0.00 H new ATOM 0 HG21 ILE A 66 24.895 -26.224 -52.446 1.00 0.00 H new ATOM 0 HG22 ILE A 66 23.455 -26.234 -53.492 1.00 0.00 H new ATOM 0 HG23 ILE A 66 24.512 -24.803 -53.446 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.419 -22.538 -50.439 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.486 -23.279 -52.055 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.079 -22.296 -51.585 1.00 0.00 H new ATOM 1029 N SER A 67 21.183 -24.865 -54.438 1.00 0.00 N ATOM 1030 CA SER A 67 20.281 -25.551 -55.386 1.00 0.00 C ATOM 1031 C SER A 67 20.919 -26.812 -55.995 1.00 0.00 C ATOM 1032 O SER A 67 20.218 -27.608 -56.623 1.00 0.00 O ATOM 1033 CB SER A 67 19.888 -24.552 -56.506 1.00 0.00 C ATOM 1034 OG SER A 67 21.016 -23.821 -56.958 1.00 0.00 O ATOM 0 H SER A 67 21.849 -24.241 -54.893 1.00 0.00 H new ATOM 0 HA SER A 67 19.397 -25.882 -54.841 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.444 -25.094 -57.341 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.130 -23.863 -56.133 1.00 0.00 H new ATOM 0 HG SER A 67 21.814 -24.387 -56.907 1.00 0.00 H new ATOM 1040 N ASN A 68 22.242 -26.997 -55.800 1.00 0.00 N ATOM 1041 CA ASN A 68 23.015 -28.018 -56.542 1.00 0.00 C ATOM 1042 C ASN A 68 24.249 -28.492 -55.752 1.00 0.00 C ATOM 1043 O ASN A 68 24.831 -27.732 -54.975 1.00 0.00 O ATOM 1044 CB ASN A 68 23.425 -27.468 -57.935 1.00 0.00 C ATOM 1045 CG ASN A 68 24.143 -26.113 -57.880 1.00 0.00 C ATOM 1046 OD1 ASN A 68 23.928 -25.301 -56.977 1.00 0.00 O ATOM 1047 ND2 ASN A 68 24.982 -25.846 -58.849 1.00 0.00 N ATOM 0 H ASN A 68 22.796 -26.455 -55.137 1.00 0.00 H new ATOM 0 HA ASN A 68 22.373 -28.888 -56.681 1.00 0.00 H new ATOM 0 HB2 ASN A 68 24.075 -28.193 -58.424 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.533 -27.371 -58.554 1.00 0.00 H new ATOM 0 HD21 ASN A 68 25.473 -24.952 -58.867 1.00 0.00 H new ATOM 0 HD22 ASN A 68 25.145 -26.532 -59.586 1.00 0.00 H new ATOM 1054 N ARG A 69 24.641 -29.754 -56.013 1.00 0.00 N ATOM 1055 CA ARG A 69 25.635 -30.510 -55.219 1.00 0.00 C ATOM 1056 C ARG A 69 27.010 -29.817 -55.167 1.00 0.00 C ATOM 1057 O ARG A 69 27.666 -29.805 -54.119 1.00 0.00 O ATOM 1058 CB ARG A 69 25.789 -31.938 -55.805 1.00 0.00 C ATOM 1059 CG ARG A 69 26.591 -32.922 -54.931 1.00 0.00 C ATOM 1060 CD ARG A 69 26.903 -34.241 -55.655 1.00 0.00 C ATOM 1061 NE ARG A 69 25.699 -34.881 -56.221 1.00 0.00 N ATOM 1062 CZ ARG A 69 25.711 -35.898 -57.096 1.00 0.00 C ATOM 1063 NH1 ARG A 69 26.850 -36.442 -57.488 1.00 0.00 N ATOM 1064 NH2 ARG A 69 24.573 -36.364 -57.577 1.00 0.00 N ATOM 0 H ARG A 69 24.269 -30.289 -56.797 1.00 0.00 H new ATOM 0 HA ARG A 69 25.263 -30.557 -54.196 1.00 0.00 H new ATOM 0 HB2 ARG A 69 24.796 -32.353 -55.974 1.00 0.00 H new ATOM 0 HB3 ARG A 69 26.273 -31.864 -56.779 1.00 0.00 H new ATOM 0 HG2 ARG A 69 27.525 -32.451 -54.625 1.00 0.00 H new ATOM 0 HG3 ARG A 69 26.029 -33.136 -54.022 1.00 0.00 H new ATOM 0 HD2 ARG A 69 27.618 -34.051 -56.455 1.00 0.00 H new ATOM 0 HD3 ARG A 69 27.381 -34.929 -54.958 1.00 0.00 H new ATOM 0 HE ARG A 69 24.791 -34.524 -55.925 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.735 -36.089 -57.125 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.844 -37.215 -58.154 1.00 0.00 H new ATOM 0 HH21 ARG A 69 23.688 -35.951 -57.283 1.00 0.00 H new ATOM 0 HH22 ARG A 69 24.579 -37.137 -58.242 1.00 0.00 H new ATOM 1078 N LYS A 70 27.420 -29.242 -56.307 1.00 0.00 N ATOM 1079 CA LYS A 70 28.732 -28.574 -56.457 1.00 0.00 C ATOM 1080 C LYS A 70 28.847 -27.415 -55.455 1.00 0.00 C ATOM 1081 O LYS A 70 29.789 -27.358 -54.652 1.00 0.00 O ATOM 1082 CB LYS A 70 28.905 -28.054 -57.921 1.00 0.00 C ATOM 1083 CG LYS A 70 30.366 -27.894 -58.430 1.00 0.00 C ATOM 1084 CD LYS A 70 31.199 -26.833 -57.672 1.00 0.00 C ATOM 1085 CE LYS A 70 32.640 -26.731 -58.191 1.00 0.00 C ATOM 1086 NZ LYS A 70 33.364 -28.038 -58.147 1.00 0.00 N ATOM 0 H LYS A 70 26.854 -29.224 -57.155 1.00 0.00 H new ATOM 0 HA LYS A 70 29.525 -29.293 -56.250 1.00 0.00 H new ATOM 0 HB2 LYS A 70 28.383 -28.738 -58.590 1.00 0.00 H new ATOM 0 HB3 LYS A 70 28.407 -27.088 -58.001 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.871 -28.857 -58.353 1.00 0.00 H new ATOM 0 HG3 LYS A 70 30.342 -27.631 -59.487 1.00 0.00 H new ATOM 0 HD2 LYS A 70 30.714 -25.861 -57.765 1.00 0.00 H new ATOM 0 HD3 LYS A 70 31.216 -27.080 -56.611 1.00 0.00 H new ATOM 0 HE2 LYS A 70 32.627 -26.362 -59.217 1.00 0.00 H new ATOM 0 HE3 LYS A 70 33.185 -25.998 -57.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 34.376 -27.881 -58.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 33.244 -28.470 -57.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 32.977 -28.674 -58.873 1.00 0.00 H new ATOM 1100 N GLN A 71 27.848 -26.514 -55.509 1.00 0.00 N ATOM 1101 CA GLN A 71 27.827 -25.286 -54.695 1.00 0.00 C ATOM 1102 C GLN A 71 27.695 -25.610 -53.199 1.00 0.00 C ATOM 1103 O GLN A 71 28.076 -24.802 -52.363 1.00 0.00 O ATOM 1104 CB GLN A 71 26.699 -24.337 -55.160 1.00 0.00 C ATOM 1105 CG GLN A 71 26.816 -23.892 -56.634 1.00 0.00 C ATOM 1106 CD GLN A 71 28.098 -23.124 -56.966 1.00 0.00 C ATOM 1107 OE1 GLN A 71 28.639 -22.390 -56.137 1.00 0.00 O ATOM 1108 NE2 GLN A 71 28.593 -23.290 -58.183 1.00 0.00 N ATOM 0 H GLN A 71 27.035 -26.617 -56.117 1.00 0.00 H new ATOM 0 HA GLN A 71 28.779 -24.775 -54.838 1.00 0.00 H new ATOM 0 HB2 GLN A 71 25.739 -24.834 -55.017 1.00 0.00 H new ATOM 0 HB3 GLN A 71 26.698 -23.452 -54.524 1.00 0.00 H new ATOM 0 HG2 GLN A 71 26.761 -24.774 -57.272 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.958 -23.266 -56.880 1.00 0.00 H new ATOM 0 HE21 GLN A 71 28.121 -23.905 -58.846 1.00 0.00 H new ATOM 0 HE22 GLN A 71 29.446 -22.803 -58.457 1.00 0.00 H new ATOM 1117 N LEU A 72 27.168 -26.807 -52.895 1.00 0.00 N ATOM 1118 CA LEU A 72 27.080 -27.330 -51.522 1.00 0.00 C ATOM 1119 C LEU A 72 28.507 -27.588 -50.991 1.00 0.00 C ATOM 1120 O LEU A 72 28.903 -27.025 -49.973 1.00 0.00 O ATOM 1121 CB LEU A 72 26.212 -28.637 -51.519 1.00 0.00 C ATOM 1122 CG LEU A 72 25.533 -29.073 -50.177 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.540 -29.373 -49.061 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.492 -28.036 -49.730 1.00 0.00 C ATOM 0 H LEU A 72 26.789 -27.442 -53.598 1.00 0.00 H new ATOM 0 HA LEU A 72 26.597 -26.607 -50.864 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.427 -28.517 -52.265 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.846 -29.458 -51.853 1.00 0.00 H new ATOM 0 HG LEU A 72 25.021 -30.014 -50.378 1.00 0.00 H new ATOM 0 HD11 LEU A 72 26.005 -29.669 -48.159 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.200 -30.182 -49.374 1.00 0.00 H new ATOM 0 HD13 LEU A 72 27.132 -28.481 -48.856 1.00 0.00 H new ATOM 0 HD21 LEU A 72 24.033 -28.360 -48.796 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.979 -27.073 -49.580 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.723 -27.938 -50.497 1.00 0.00 H new ATOM 1136 N GLU A 73 29.260 -28.414 -51.739 1.00 0.00 N ATOM 1137 CA GLU A 73 30.630 -28.861 -51.376 1.00 0.00 C ATOM 1138 C GLU A 73 31.578 -27.664 -51.171 1.00 0.00 C ATOM 1139 O GLU A 73 32.267 -27.554 -50.140 1.00 0.00 O ATOM 1140 CB GLU A 73 31.185 -29.790 -52.498 1.00 0.00 C ATOM 1141 CG GLU A 73 30.341 -31.049 -52.757 1.00 0.00 C ATOM 1142 CD GLU A 73 30.793 -31.840 -53.996 1.00 0.00 C ATOM 1143 OE1 GLU A 73 31.722 -32.668 -53.877 1.00 0.00 O ATOM 1144 OE2 GLU A 73 30.235 -31.622 -55.099 1.00 0.00 O ATOM 0 H GLU A 73 28.936 -28.799 -52.626 1.00 0.00 H new ATOM 0 HA GLU A 73 30.574 -29.407 -50.434 1.00 0.00 H new ATOM 0 HB2 GLU A 73 31.256 -29.219 -53.424 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.197 -30.095 -52.233 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.391 -31.698 -51.882 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.297 -30.759 -52.880 1.00 0.00 H new ATOM 1151 N GLN A 74 31.582 -26.756 -52.161 1.00 0.00 N ATOM 1152 CA GLN A 74 32.455 -25.576 -52.156 1.00 0.00 C ATOM 1153 C GLN A 74 32.020 -24.551 -51.085 1.00 0.00 C ATOM 1154 O GLN A 74 32.851 -23.781 -50.605 1.00 0.00 O ATOM 1155 CB GLN A 74 32.579 -24.961 -53.588 1.00 0.00 C ATOM 1156 CG GLN A 74 31.290 -24.406 -54.242 1.00 0.00 C ATOM 1157 CD GLN A 74 30.907 -22.972 -53.831 1.00 0.00 C ATOM 1158 OE1 GLN A 74 30.173 -22.760 -52.875 1.00 0.00 O ATOM 1159 NE2 GLN A 74 31.421 -21.989 -54.551 1.00 0.00 N ATOM 0 H GLN A 74 30.982 -26.821 -52.983 1.00 0.00 H new ATOM 0 HA GLN A 74 33.458 -25.894 -51.871 1.00 0.00 H new ATOM 0 HB2 GLN A 74 33.309 -24.153 -53.545 1.00 0.00 H new ATOM 0 HB3 GLN A 74 32.989 -25.726 -54.248 1.00 0.00 H new ATOM 0 HG2 GLN A 74 31.410 -24.436 -55.325 1.00 0.00 H new ATOM 0 HG3 GLN A 74 30.462 -25.070 -53.995 1.00 0.00 H new ATOM 0 HE21 GLN A 74 32.029 -22.200 -55.342 1.00 0.00 H new ATOM 0 HE22 GLN A 74 31.209 -21.019 -54.315 1.00 0.00 H new ATOM 1168 N TYR A 75 30.721 -24.569 -50.699 1.00 0.00 N ATOM 1169 CA TYR A 75 30.200 -23.724 -49.600 1.00 0.00 C ATOM 1170 C TYR A 75 30.814 -24.166 -48.265 1.00 0.00 C ATOM 1171 O TYR A 75 31.265 -23.329 -47.477 1.00 0.00 O ATOM 1172 CB TYR A 75 28.643 -23.790 -49.526 1.00 0.00 C ATOM 1173 CG TYR A 75 28.003 -22.826 -48.512 1.00 0.00 C ATOM 1174 CD1 TYR A 75 27.525 -21.575 -48.909 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.891 -23.163 -47.160 1.00 0.00 C ATOM 1176 CE1 TYR A 75 26.978 -20.704 -48.000 1.00 0.00 C ATOM 1177 CE2 TYR A 75 27.340 -22.290 -46.250 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.885 -21.067 -46.677 1.00 0.00 C ATOM 1179 OH TYR A 75 26.343 -20.193 -45.778 1.00 0.00 O ATOM 0 H TYR A 75 30.014 -25.162 -51.135 1.00 0.00 H new ATOM 0 HA TYR A 75 30.482 -22.691 -49.801 1.00 0.00 H new ATOM 0 HB2 TYR A 75 28.237 -23.577 -50.515 1.00 0.00 H new ATOM 0 HB3 TYR A 75 28.348 -24.809 -49.273 1.00 0.00 H new ATOM 0 HD1 TYR A 75 27.587 -21.288 -49.948 1.00 0.00 H new ATOM 0 HD2 TYR A 75 28.244 -24.127 -46.823 1.00 0.00 H new ATOM 0 HE1 TYR A 75 26.622 -19.737 -48.323 1.00 0.00 H new ATOM 0 HE2 TYR A 75 27.266 -22.565 -45.208 1.00 0.00 H new ATOM 0 HH TYR A 75 26.347 -20.597 -44.885 1.00 0.00 H new ATOM 1189 N LEU A 76 30.830 -25.491 -48.031 1.00 0.00 N ATOM 1190 CA LEU A 76 31.293 -26.079 -46.755 1.00 0.00 C ATOM 1191 C LEU A 76 32.778 -25.758 -46.509 1.00 0.00 C ATOM 1192 O LEU A 76 33.157 -25.351 -45.410 1.00 0.00 O ATOM 1193 CB LEU A 76 31.075 -27.609 -46.747 1.00 0.00 C ATOM 1194 CG LEU A 76 29.646 -28.107 -47.102 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.573 -29.636 -47.054 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.556 -27.455 -46.216 1.00 0.00 C ATOM 0 H LEU A 76 30.525 -26.183 -48.715 1.00 0.00 H new ATOM 0 HA LEU A 76 30.704 -25.637 -45.951 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.777 -28.057 -47.450 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.331 -27.985 -45.757 1.00 0.00 H new ATOM 0 HG LEU A 76 29.440 -27.791 -48.125 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.563 -29.960 -47.306 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.279 -30.057 -47.770 1.00 0.00 H new ATOM 0 HD13 LEU A 76 29.825 -29.981 -46.051 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.576 -27.836 -46.504 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.746 -27.696 -45.170 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.578 -26.373 -46.349 1.00 0.00 H new ATOM 1208 N LYS A 77 33.605 -25.922 -47.559 1.00 0.00 N ATOM 1209 CA LYS A 77 35.056 -25.655 -47.467 1.00 0.00 C ATOM 1210 C LYS A 77 35.355 -24.134 -47.430 1.00 0.00 C ATOM 1211 O LYS A 77 36.401 -23.716 -46.927 1.00 0.00 O ATOM 1212 CB LYS A 77 35.813 -26.396 -48.614 1.00 0.00 C ATOM 1213 CG LYS A 77 35.505 -25.926 -50.064 1.00 0.00 C ATOM 1214 CD LYS A 77 36.461 -24.815 -50.552 1.00 0.00 C ATOM 1215 CE LYS A 77 36.177 -24.362 -51.990 1.00 0.00 C ATOM 1216 NZ LYS A 77 37.129 -23.312 -52.431 1.00 0.00 N ATOM 0 H LYS A 77 33.296 -26.237 -48.479 1.00 0.00 H new ATOM 0 HA LYS A 77 35.427 -26.053 -46.523 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.884 -26.289 -48.441 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.583 -27.459 -48.544 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.573 -26.779 -50.739 1.00 0.00 H new ATOM 0 HG3 LYS A 77 34.479 -25.562 -50.112 1.00 0.00 H new ATOM 0 HD2 LYS A 77 36.381 -23.957 -49.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 37.488 -25.174 -50.487 1.00 0.00 H new ATOM 0 HE2 LYS A 77 36.242 -25.218 -52.661 1.00 0.00 H new ATOM 0 HE3 LYS A 77 35.158 -23.981 -52.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 36.907 -23.030 -53.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 37.049 -22.485 -51.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 38.099 -23.684 -52.390 1.00 0.00 H new ATOM 1230 N SER A 78 34.430 -23.314 -47.969 1.00 0.00 N ATOM 1231 CA SER A 78 34.531 -21.839 -47.907 1.00 0.00 C ATOM 1232 C SER A 78 34.111 -21.320 -46.520 1.00 0.00 C ATOM 1233 O SER A 78 34.566 -20.260 -46.077 1.00 0.00 O ATOM 1234 CB SER A 78 33.650 -21.198 -49.011 1.00 0.00 C ATOM 1235 OG SER A 78 33.687 -19.777 -48.987 1.00 0.00 O ATOM 0 H SER A 78 33.599 -23.650 -48.455 1.00 0.00 H new ATOM 0 HA SER A 78 35.570 -21.557 -48.076 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.985 -21.550 -49.987 1.00 0.00 H new ATOM 0 HB3 SER A 78 32.620 -21.533 -48.888 1.00 0.00 H new ATOM 0 HG SER A 78 33.118 -19.423 -49.702 1.00 0.00 H new ATOM 1241 N HIS A 79 33.230 -22.077 -45.842 1.00 0.00 N ATOM 1242 CA HIS A 79 32.649 -21.682 -44.548 1.00 0.00 C ATOM 1243 C HIS A 79 32.851 -22.813 -43.519 1.00 0.00 C ATOM 1244 O HIS A 79 31.969 -23.671 -43.354 1.00 0.00 O ATOM 1245 CB HIS A 79 31.147 -21.332 -44.721 1.00 0.00 C ATOM 1246 CG HIS A 79 30.895 -20.276 -45.759 1.00 0.00 C ATOM 1247 ND1 HIS A 79 30.557 -20.575 -47.059 1.00 0.00 N ATOM 1248 CD2 HIS A 79 30.996 -18.930 -45.704 1.00 0.00 C ATOM 1249 CE1 HIS A 79 30.467 -19.471 -47.756 1.00 0.00 C ATOM 1250 NE2 HIS A 79 30.724 -18.454 -46.960 1.00 0.00 N ATOM 0 H HIS A 79 32.901 -22.982 -46.178 1.00 0.00 H new ATOM 0 HA HIS A 79 33.157 -20.791 -44.177 1.00 0.00 H new ATOM 0 HB2 HIS A 79 30.600 -22.235 -44.992 1.00 0.00 H new ATOM 0 HB3 HIS A 79 30.748 -20.993 -43.765 1.00 0.00 H new ATOM 0 HD1 HIS A 79 30.400 -21.515 -47.424 1.00 0.00 H new ATOM 0 HD2 HIS A 79 31.244 -18.340 -44.834 1.00 0.00 H new ATOM 0 HE1 HIS A 79 30.223 -19.405 -48.806 1.00 0.00 H new ATOM 1259 N PRO A 80 34.043 -22.855 -42.841 1.00 0.00 N ATOM 1260 CA PRO A 80 34.338 -23.859 -41.787 1.00 0.00 C ATOM 1261 C PRO A 80 33.380 -23.720 -40.580 1.00 0.00 C ATOM 1262 O PRO A 80 33.282 -22.646 -39.968 1.00 0.00 O ATOM 1263 CB PRO A 80 35.816 -23.567 -41.408 1.00 0.00 C ATOM 1264 CG PRO A 80 36.048 -22.148 -41.825 1.00 0.00 C ATOM 1265 CD PRO A 80 35.205 -21.942 -43.057 1.00 0.00 C ATOM 0 HA PRO A 80 34.194 -24.885 -42.125 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.983 -23.697 -40.339 1.00 0.00 H new ATOM 0 HB3 PRO A 80 36.497 -24.246 -41.921 1.00 0.00 H new ATOM 0 HG2 PRO A 80 35.761 -21.455 -41.034 1.00 0.00 H new ATOM 0 HG3 PRO A 80 37.102 -21.970 -42.038 1.00 0.00 H new ATOM 0 HD2 PRO A 80 34.887 -20.904 -43.157 1.00 0.00 H new ATOM 0 HD3 PRO A 80 35.752 -22.196 -43.965 1.00 0.00 H new ATOM 1273 N GLY A 81 32.664 -24.813 -40.274 1.00 0.00 N ATOM 1274 CA GLY A 81 31.619 -24.829 -39.248 1.00 0.00 C ATOM 1275 C GLY A 81 30.351 -25.512 -39.743 1.00 0.00 C ATOM 1276 O GLY A 81 29.614 -26.118 -38.959 1.00 0.00 O ATOM 0 H GLY A 81 32.797 -25.713 -40.736 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.988 -25.345 -38.362 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.388 -23.807 -38.948 1.00 0.00 H new ATOM 1280 N ASN A 82 30.105 -25.410 -41.062 1.00 0.00 N ATOM 1281 CA ASN A 82 28.959 -26.059 -41.729 1.00 0.00 C ATOM 1282 C ASN A 82 29.182 -27.587 -41.822 1.00 0.00 C ATOM 1283 O ASN A 82 30.295 -28.020 -42.146 1.00 0.00 O ATOM 1284 CB ASN A 82 28.728 -25.463 -43.146 1.00 0.00 C ATOM 1285 CG ASN A 82 28.129 -24.058 -43.115 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.911 -23.893 -43.120 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.975 -23.044 -43.077 1.00 0.00 N ATOM 0 H ASN A 82 30.696 -24.874 -41.698 1.00 0.00 H new ATOM 0 HA ASN A 82 28.069 -25.869 -41.129 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.677 -25.435 -43.681 1.00 0.00 H new ATOM 0 HB3 ASN A 82 28.065 -26.122 -43.707 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.623 -22.087 -43.051 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.980 -23.218 -43.074 1.00 0.00 H new ATOM 1294 N PRO A 83 28.126 -28.422 -41.540 1.00 0.00 N ATOM 1295 CA PRO A 83 28.230 -29.904 -41.579 1.00 0.00 C ATOM 1296 C PRO A 83 28.563 -30.443 -42.987 1.00 0.00 C ATOM 1297 O PRO A 83 28.261 -29.803 -43.997 1.00 0.00 O ATOM 1298 CB PRO A 83 26.835 -30.381 -41.091 1.00 0.00 C ATOM 1299 CG PRO A 83 25.918 -29.229 -41.347 1.00 0.00 C ATOM 1300 CD PRO A 83 26.756 -27.988 -41.157 1.00 0.00 C ATOM 0 HA PRO A 83 29.047 -30.274 -40.959 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.511 -31.270 -41.632 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.855 -30.641 -40.033 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.507 -29.273 -42.356 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.074 -29.240 -40.658 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.406 -27.169 -41.785 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.722 -27.636 -40.126 1.00 0.00 H new ATOM 1308 N ALA A 84 29.186 -31.633 -43.014 1.00 0.00 N ATOM 1309 CA ALA A 84 29.710 -32.258 -44.244 1.00 0.00 C ATOM 1310 C ALA A 84 28.581 -32.819 -45.128 1.00 0.00 C ATOM 1311 O ALA A 84 27.583 -33.308 -44.618 1.00 0.00 O ATOM 1312 CB ALA A 84 30.715 -33.369 -43.887 1.00 0.00 C ATOM 0 H ALA A 84 29.342 -32.194 -42.177 1.00 0.00 H new ATOM 0 HA ALA A 84 30.219 -31.484 -44.818 1.00 0.00 H new ATOM 0 HB1 ALA A 84 31.095 -33.823 -44.802 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.544 -32.942 -43.322 1.00 0.00 H new ATOM 0 HB3 ALA A 84 30.218 -34.129 -43.284 1.00 0.00 H new ATOM 1318 N ILE A 85 28.790 -32.796 -46.459 1.00 0.00 N ATOM 1319 CA ILE A 85 27.789 -33.226 -47.465 1.00 0.00 C ATOM 1320 C ILE A 85 27.475 -34.747 -47.375 1.00 0.00 C ATOM 1321 O ILE A 85 26.489 -35.231 -47.955 1.00 0.00 O ATOM 1322 CB ILE A 85 28.240 -32.810 -48.923 1.00 0.00 C ATOM 1323 CG1 ILE A 85 27.108 -33.079 -49.973 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.570 -33.492 -49.324 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.398 -32.601 -51.383 1.00 0.00 C ATOM 0 H ILE A 85 29.665 -32.476 -46.874 1.00 0.00 H new ATOM 0 HA ILE A 85 26.859 -32.705 -47.238 1.00 0.00 H new ATOM 0 HB ILE A 85 28.422 -31.735 -48.914 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.913 -34.151 -50.004 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.193 -32.599 -49.626 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.848 -33.183 -50.331 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.354 -33.200 -48.625 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.446 -34.575 -49.298 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.552 -32.836 -52.028 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.560 -31.523 -51.376 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.291 -33.100 -51.760 1.00 0.00 H new ATOM 1337 N ALA A 86 28.299 -35.483 -46.605 1.00 0.00 N ATOM 1338 CA ALA A 86 28.079 -36.913 -46.303 1.00 0.00 C ATOM 1339 C ALA A 86 26.705 -37.162 -45.636 1.00 0.00 C ATOM 1340 O ALA A 86 26.032 -38.155 -45.935 1.00 0.00 O ATOM 1341 CB ALA A 86 29.215 -37.443 -45.412 1.00 0.00 C ATOM 0 H ALA A 86 29.140 -35.102 -46.172 1.00 0.00 H new ATOM 0 HA ALA A 86 28.079 -37.455 -47.249 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.045 -38.497 -45.194 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.167 -37.328 -45.930 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.239 -36.879 -44.479 1.00 0.00 H new ATOM 1347 N GLU A 87 26.292 -36.245 -44.741 1.00 0.00 N ATOM 1348 CA GLU A 87 24.981 -36.323 -44.043 1.00 0.00 C ATOM 1349 C GLU A 87 23.872 -35.578 -44.821 1.00 0.00 C ATOM 1350 O GLU A 87 22.707 -35.587 -44.407 1.00 0.00 O ATOM 1351 CB GLU A 87 25.107 -35.767 -42.598 1.00 0.00 C ATOM 1352 CG GLU A 87 25.639 -34.326 -42.512 1.00 0.00 C ATOM 1353 CD GLU A 87 25.903 -33.856 -41.078 1.00 0.00 C ATOM 1354 OE1 GLU A 87 24.933 -33.602 -40.333 1.00 0.00 O ATOM 1355 OE2 GLU A 87 27.090 -33.741 -40.686 1.00 0.00 O ATOM 0 H GLU A 87 26.849 -35.432 -44.478 1.00 0.00 H new ATOM 0 HA GLU A 87 24.692 -37.373 -43.993 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.128 -35.808 -42.120 1.00 0.00 H new ATOM 0 HB3 GLU A 87 25.768 -36.419 -42.028 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.563 -34.254 -43.085 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.920 -33.653 -42.980 1.00 0.00 H new ATOM 1362 N PHE A 88 24.240 -34.915 -45.932 1.00 0.00 N ATOM 1363 CA PHE A 88 23.274 -34.221 -46.808 1.00 0.00 C ATOM 1364 C PHE A 88 22.745 -35.222 -47.847 1.00 0.00 C ATOM 1365 O PHE A 88 23.467 -35.605 -48.774 1.00 0.00 O ATOM 1366 CB PHE A 88 23.949 -33.005 -47.507 1.00 0.00 C ATOM 1367 CG PHE A 88 24.261 -31.818 -46.594 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.930 -30.526 -46.975 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.893 -31.988 -45.368 1.00 0.00 C ATOM 1370 CE1 PHE A 88 24.221 -29.453 -46.168 1.00 0.00 C ATOM 1371 CE2 PHE A 88 25.181 -30.913 -44.561 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.846 -29.643 -44.962 1.00 0.00 C ATOM 0 H PHE A 88 25.207 -34.844 -46.248 1.00 0.00 H new ATOM 0 HA PHE A 88 22.443 -33.841 -46.213 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.877 -33.341 -47.969 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.299 -32.662 -48.312 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.436 -30.361 -47.921 1.00 0.00 H new ATOM 0 HD2 PHE A 88 25.163 -32.982 -45.044 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.956 -28.455 -46.485 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.671 -31.067 -43.611 1.00 0.00 H new ATOM 0 HZ PHE A 88 25.074 -28.797 -44.330 1.00 0.00 H new ATOM 1382 N ASP A 89 21.481 -35.633 -47.686 1.00 0.00 N ATOM 1383 CA ASP A 89 20.868 -36.706 -48.488 1.00 0.00 C ATOM 1384 C ASP A 89 20.121 -36.130 -49.714 1.00 0.00 C ATOM 1385 O ASP A 89 18.933 -35.800 -49.665 1.00 0.00 O ATOM 1386 CB ASP A 89 19.954 -37.611 -47.590 1.00 0.00 C ATOM 1387 CG ASP A 89 18.780 -36.875 -46.906 1.00 0.00 C ATOM 1388 OD1 ASP A 89 19.017 -35.864 -46.198 1.00 0.00 O ATOM 1389 OD2 ASP A 89 17.613 -37.300 -47.064 1.00 0.00 O ATOM 0 H ASP A 89 20.850 -35.230 -46.993 1.00 0.00 H new ATOM 0 HA ASP A 89 21.659 -37.344 -48.883 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.551 -38.417 -48.203 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.571 -38.075 -46.820 1.00 0.00 H new ATOM 1394 N TRP A 90 20.875 -35.966 -50.815 1.00 0.00 N ATOM 1395 CA TRP A 90 20.321 -35.630 -52.147 1.00 0.00 C ATOM 1396 C TRP A 90 19.523 -36.828 -52.711 1.00 0.00 C ATOM 1397 O TRP A 90 18.576 -36.663 -53.486 1.00 0.00 O ATOM 1398 CB TRP A 90 21.474 -35.244 -53.123 1.00 0.00 C ATOM 1399 CG TRP A 90 22.285 -34.038 -52.685 1.00 0.00 C ATOM 1400 CD1 TRP A 90 23.372 -34.023 -51.848 1.00 0.00 C ATOM 1401 CD2 TRP A 90 22.067 -32.671 -53.073 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.824 -32.736 -51.687 1.00 0.00 N ATOM 1403 CE2 TRP A 90 23.040 -31.890 -52.424 1.00 0.00 C ATOM 1404 CE3 TRP A 90 21.133 -32.032 -53.899 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 23.107 -30.510 -52.581 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 21.204 -30.660 -54.047 1.00 0.00 C ATOM 1407 CH2 TRP A 90 22.182 -29.912 -53.390 1.00 0.00 C ATOM 0 H TRP A 90 21.890 -36.062 -50.810 1.00 0.00 H new ATOM 0 HA TRP A 90 19.647 -34.779 -52.044 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.143 -36.097 -53.232 1.00 0.00 H new ATOM 0 HB3 TRP A 90 21.050 -35.044 -54.107 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.808 -34.895 -51.384 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.617 -32.455 -51.110 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.371 -32.601 -54.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.866 -29.929 -52.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.490 -30.157 -54.683 1.00 0.00 H new ATOM 0 HH2 TRP A 90 22.208 -28.841 -53.523 1.00 0.00 H new ATOM 1418 N THR A 91 19.911 -38.029 -52.244 1.00 0.00 N ATOM 1419 CA THR A 91 19.378 -39.329 -52.694 1.00 0.00 C ATOM 1420 C THR A 91 17.998 -39.663 -52.058 1.00 0.00 C ATOM 1421 O THR A 91 17.489 -40.781 -52.233 1.00 0.00 O ATOM 1422 CB THR A 91 20.433 -40.453 -52.371 1.00 0.00 C ATOM 1423 OG1 THR A 91 20.027 -41.728 -52.904 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.688 -40.586 -50.855 1.00 0.00 C ATOM 0 H THR A 91 20.625 -38.125 -51.522 1.00 0.00 H new ATOM 0 HA THR A 91 19.209 -39.274 -53.769 1.00 0.00 H new ATOM 0 HB THR A 91 21.362 -40.148 -52.852 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.054 -41.818 -52.831 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.422 -41.372 -50.677 1.00 0.00 H new ATOM 0 HG22 THR A 91 21.067 -39.641 -50.466 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.756 -40.839 -50.350 1.00 0.00 H new