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 -85:sc= 1.2 USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0 X(o=1.2,f=1.1) USER MOD Set 2.1: A 75 TYR OH : rot 180:sc= -1.27 USER MOD Set 2.2: A 82 ASN : amide:sc= -0.0801 K(o=-1.4,f=-3.4) USER MOD Set 3.1: A 67 SER OG : rot 69:sc= 0.571 USER MOD Set 3.2: A 68 ASN : amide:sc= -0.725 X(o=-0.16,f=0.15) USER MOD Set 3.3: A 71 GLN : amide:sc=-0.00334 X(o=-0.16,f=0.15) USER MOD Single : A 30 SER OG : rot 30:sc= 0.117 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+ -170:sc= 0.607 (180deg=0.563) USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= 0.973 (180deg=-1.65!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -38:sc= 0.375 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0672 (180deg=-0.36) USER MOD Single : A 74 GLN : amide:sc= -0.371 K(o=-0.37,f=-0.95) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -38:sc= 0.511 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.526 -27.436 -56.005 1.00 0.00 N ATOM 430 CA VAL A 29 3.724 -28.659 -55.213 1.00 0.00 C ATOM 431 C VAL A 29 5.231 -28.875 -54.949 1.00 0.00 C ATOM 432 O VAL A 29 6.050 -28.893 -55.879 1.00 0.00 O ATOM 433 CB VAL A 29 3.090 -29.930 -55.908 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.546 -29.867 -55.869 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.590 -30.106 -57.366 1.00 0.00 C ATOM 0 HA VAL A 29 3.206 -28.527 -54.263 1.00 0.00 H new ATOM 0 HB VAL A 29 3.419 -30.801 -55.342 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.133 -30.752 -56.353 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.209 -29.830 -54.833 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.205 -28.974 -56.393 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.129 -30.991 -57.804 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.319 -29.228 -57.952 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.674 -30.223 -57.367 1.00 0.00 H new ATOM 445 N SER A 30 5.579 -29.018 -53.666 1.00 0.00 N ATOM 446 CA SER A 30 6.954 -29.269 -53.212 1.00 0.00 C ATOM 447 C SER A 30 6.904 -30.022 -51.875 1.00 0.00 C ATOM 448 O SER A 30 6.262 -29.562 -50.920 1.00 0.00 O ATOM 449 CB SER A 30 7.733 -27.936 -53.061 1.00 0.00 C ATOM 450 OG SER A 30 7.051 -27.028 -52.216 1.00 0.00 O ATOM 0 H SER A 30 4.906 -28.962 -52.902 1.00 0.00 H new ATOM 0 HA SER A 30 7.477 -29.875 -53.952 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.725 -28.137 -52.655 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.876 -27.484 -54.042 1.00 0.00 H new ATOM 0 HG SER A 30 6.532 -27.527 -51.551 1.00 0.00 H new ATOM 456 N VAL A 31 7.555 -31.191 -51.826 1.00 0.00 N ATOM 457 CA VAL A 31 7.583 -32.052 -50.636 1.00 0.00 C ATOM 458 C VAL A 31 8.941 -31.898 -49.938 1.00 0.00 C ATOM 459 O VAL A 31 9.991 -32.147 -50.539 1.00 0.00 O ATOM 460 CB VAL A 31 7.323 -33.563 -51.001 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.288 -34.456 -49.728 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.020 -33.714 -51.834 1.00 0.00 C ATOM 0 H VAL A 31 8.080 -31.568 -52.615 1.00 0.00 H new ATOM 0 HA VAL A 31 6.782 -31.741 -49.965 1.00 0.00 H new ATOM 0 HB VAL A 31 8.155 -33.907 -51.615 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.107 -35.492 -50.015 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.243 -34.385 -49.208 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.489 -34.117 -49.068 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.861 -34.765 -52.074 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.174 -33.342 -51.256 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.110 -33.141 -52.757 1.00 0.00 H new ATOM 472 N GLU A 32 8.902 -31.450 -48.681 1.00 0.00 N ATOM 473 CA GLU A 32 10.096 -31.301 -47.847 1.00 0.00 C ATOM 474 C GLU A 32 10.519 -32.670 -47.283 1.00 0.00 C ATOM 475 O GLU A 32 9.759 -33.311 -46.548 1.00 0.00 O ATOM 476 CB GLU A 32 9.823 -30.293 -46.709 1.00 0.00 C ATOM 477 CG GLU A 32 9.479 -28.874 -47.199 1.00 0.00 C ATOM 478 CD GLU A 32 9.015 -27.962 -46.057 1.00 0.00 C ATOM 479 OE1 GLU A 32 9.869 -27.358 -45.369 1.00 0.00 O ATOM 480 OE2 GLU A 32 7.789 -27.881 -45.813 1.00 0.00 O ATOM 0 H GLU A 32 8.038 -31.179 -48.212 1.00 0.00 H new ATOM 0 HA GLU A 32 10.914 -30.915 -48.455 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.001 -30.665 -46.098 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.701 -30.241 -46.065 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.354 -28.435 -47.679 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.696 -28.933 -47.955 1.00 0.00 H new ATOM 487 N LEU A 33 11.720 -33.113 -47.670 1.00 0.00 N ATOM 488 CA LEU A 33 12.294 -34.422 -47.275 1.00 0.00 C ATOM 489 C LEU A 33 13.147 -34.250 -45.986 1.00 0.00 C ATOM 490 O LEU A 33 13.454 -33.106 -45.617 1.00 0.00 O ATOM 491 CB LEU A 33 13.119 -34.989 -48.494 1.00 0.00 C ATOM 492 CG LEU A 33 12.330 -35.843 -49.549 1.00 0.00 C ATOM 493 CD1 LEU A 33 12.053 -37.266 -49.032 1.00 0.00 C ATOM 494 CD2 LEU A 33 11.024 -35.165 -49.981 1.00 0.00 C ATOM 0 H LEU A 33 12.337 -32.571 -48.275 1.00 0.00 H new ATOM 0 HA LEU A 33 11.514 -35.145 -47.035 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.578 -34.148 -49.013 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.930 -35.601 -48.100 1.00 0.00 H new ATOM 0 HG LEU A 33 12.970 -35.917 -50.428 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.505 -37.828 -49.789 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.998 -37.767 -48.821 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.459 -37.212 -48.119 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.513 -35.792 -50.711 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.382 -35.024 -49.111 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.247 -34.196 -50.428 1.00 0.00 H new ATOM 506 N PRO A 34 13.507 -35.375 -45.245 1.00 0.00 N ATOM 507 CA PRO A 34 14.326 -35.303 -43.995 1.00 0.00 C ATOM 508 C PRO A 34 15.665 -34.535 -44.160 1.00 0.00 C ATOM 509 O PRO A 34 16.365 -34.684 -45.174 1.00 0.00 O ATOM 510 CB PRO A 34 14.559 -36.799 -43.608 1.00 0.00 C ATOM 511 CG PRO A 34 14.178 -37.585 -44.828 1.00 0.00 C ATOM 512 CD PRO A 34 13.093 -36.784 -45.505 1.00 0.00 C ATOM 0 HA PRO A 34 13.809 -34.734 -43.222 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.599 -36.977 -43.334 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.950 -37.083 -42.750 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.034 -37.722 -45.489 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.821 -38.579 -44.558 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.039 -36.999 -46.572 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.110 -37.000 -45.086 1.00 0.00 H new ATOM 520 N ALA A 35 16.013 -33.739 -43.130 1.00 0.00 N ATOM 521 CA ALA A 35 17.122 -32.771 -43.164 1.00 0.00 C ATOM 522 C ALA A 35 17.897 -32.755 -41.834 1.00 0.00 C ATOM 523 O ALA A 35 17.352 -33.150 -40.797 1.00 0.00 O ATOM 524 CB ALA A 35 16.556 -31.356 -43.415 1.00 0.00 C ATOM 0 H ALA A 35 15.521 -33.753 -42.236 1.00 0.00 H new ATOM 0 HA ALA A 35 17.801 -33.068 -43.963 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.374 -30.636 -43.441 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.028 -31.339 -44.368 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.866 -31.093 -42.613 1.00 0.00 H new ATOM 530 N PRO A 36 19.192 -32.303 -41.862 1.00 0.00 N ATOM 531 CA PRO A 36 19.873 -31.731 -40.667 1.00 0.00 C ATOM 532 C PRO A 36 19.093 -30.508 -40.133 1.00 0.00 C ATOM 533 O PRO A 36 18.615 -29.722 -40.938 1.00 0.00 O ATOM 534 CB PRO A 36 21.268 -31.304 -41.218 1.00 0.00 C ATOM 535 CG PRO A 36 21.475 -32.166 -42.425 1.00 0.00 C ATOM 536 CD PRO A 36 20.103 -32.357 -43.036 1.00 0.00 C ATOM 0 HA PRO A 36 19.942 -32.431 -39.834 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.285 -30.246 -41.479 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.052 -31.462 -40.478 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.155 -31.692 -43.132 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.917 -33.124 -42.150 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.873 -31.575 -43.759 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.026 -33.309 -43.561 1.00 0.00 H new ATOM 544 N SER A 37 18.991 -30.351 -38.798 1.00 0.00 N ATOM 545 CA SER A 37 18.212 -29.251 -38.169 1.00 0.00 C ATOM 546 C SER A 37 18.798 -27.857 -38.514 1.00 0.00 C ATOM 547 O SER A 37 18.064 -26.859 -38.558 1.00 0.00 O ATOM 548 CB SER A 37 18.153 -29.454 -36.636 1.00 0.00 C ATOM 549 OG SER A 37 19.454 -29.515 -36.069 1.00 0.00 O ATOM 0 H SER A 37 19.439 -30.974 -38.126 1.00 0.00 H new ATOM 0 HA SER A 37 17.200 -29.284 -38.574 1.00 0.00 H new ATOM 0 HB2 SER A 37 17.594 -28.636 -36.181 1.00 0.00 H new ATOM 0 HB3 SER A 37 17.613 -30.373 -36.410 1.00 0.00 H new ATOM 0 HG SER A 37 19.383 -29.642 -35.100 1.00 0.00 H new ATOM 555 N SER A 38 20.124 -27.813 -38.767 1.00 0.00 N ATOM 556 CA SER A 38 20.832 -26.580 -39.176 1.00 0.00 C ATOM 557 C SER A 38 20.377 -26.133 -40.581 1.00 0.00 C ATOM 558 O SER A 38 20.186 -24.944 -40.839 1.00 0.00 O ATOM 559 CB SER A 38 22.356 -26.816 -39.164 1.00 0.00 C ATOM 560 OG SER A 38 22.783 -27.266 -37.892 1.00 0.00 O ATOM 0 H SER A 38 20.732 -28.628 -38.694 1.00 0.00 H new ATOM 0 HA SER A 38 20.588 -25.790 -38.466 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.621 -27.552 -39.923 1.00 0.00 H new ATOM 0 HB3 SER A 38 22.874 -25.892 -39.421 1.00 0.00 H new ATOM 0 HG SER A 38 23.752 -27.412 -37.905 1.00 0.00 H new ATOM 566 N TRP A 39 20.195 -27.123 -41.470 1.00 0.00 N ATOM 567 CA TRP A 39 19.749 -26.906 -42.854 1.00 0.00 C ATOM 568 C TRP A 39 18.249 -27.210 -42.983 1.00 0.00 C ATOM 569 O TRP A 39 17.585 -27.554 -42.006 1.00 0.00 O ATOM 570 CB TRP A 39 20.557 -27.813 -43.817 1.00 0.00 C ATOM 571 CG TRP A 39 21.994 -27.395 -43.990 1.00 0.00 C ATOM 572 CD1 TRP A 39 22.989 -27.398 -43.047 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.588 -26.911 -45.195 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.154 -26.932 -43.598 1.00 0.00 N ATOM 575 CE2 TRP A 39 23.933 -26.635 -44.915 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.104 -26.686 -46.489 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.799 -26.144 -45.875 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.966 -26.197 -47.443 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.303 -25.929 -47.134 1.00 0.00 C ATOM 0 H TRP A 39 20.355 -28.105 -41.245 1.00 0.00 H new ATOM 0 HA TRP A 39 19.919 -25.862 -43.119 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.529 -28.837 -43.444 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.070 -27.815 -44.792 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.872 -27.720 -42.023 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.041 -26.824 -43.106 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.073 -26.893 -46.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.833 -25.937 -45.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.605 -26.018 -48.445 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.957 -25.545 -47.903 1.00 0.00 H new ATOM 590 N LYS A 40 17.736 -27.058 -44.200 1.00 0.00 N ATOM 591 CA LYS A 40 16.390 -27.492 -44.596 1.00 0.00 C ATOM 592 C LYS A 40 16.541 -28.248 -45.919 1.00 0.00 C ATOM 593 O LYS A 40 17.463 -27.977 -46.699 1.00 0.00 O ATOM 594 CB LYS A 40 15.398 -26.271 -44.709 1.00 0.00 C ATOM 595 CG LYS A 40 14.140 -26.343 -43.798 1.00 0.00 C ATOM 596 CD LYS A 40 14.483 -26.532 -42.298 1.00 0.00 C ATOM 597 CE LYS A 40 15.353 -25.387 -41.718 1.00 0.00 C ATOM 598 NZ LYS A 40 15.982 -25.769 -40.431 1.00 0.00 N ATOM 0 H LYS A 40 18.254 -26.619 -44.961 1.00 0.00 H new ATOM 0 HA LYS A 40 15.952 -28.145 -43.841 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.945 -25.358 -44.472 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.070 -26.186 -45.745 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.559 -25.429 -43.919 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.508 -27.168 -44.126 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.557 -26.600 -41.727 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.008 -27.479 -42.169 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.128 -25.121 -42.436 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.736 -24.500 -41.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.413 -24.930 -39.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.259 -26.159 -39.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.716 -26.486 -40.602 1.00 0.00 H new ATOM 612 N LYS A 41 15.652 -29.204 -46.154 1.00 0.00 N ATOM 613 CA LYS A 41 15.718 -30.100 -47.310 1.00 0.00 C ATOM 614 C LYS A 41 14.341 -30.177 -47.957 1.00 0.00 C ATOM 615 O LYS A 41 13.328 -30.421 -47.297 1.00 0.00 O ATOM 616 CB LYS A 41 16.237 -31.487 -46.857 1.00 0.00 C ATOM 617 CG LYS A 41 15.923 -32.682 -47.761 1.00 0.00 C ATOM 618 CD LYS A 41 16.608 -32.626 -49.133 1.00 0.00 C ATOM 619 CE LYS A 41 16.717 -34.024 -49.733 1.00 0.00 C ATOM 620 NZ LYS A 41 17.434 -34.958 -48.817 1.00 0.00 N ATOM 0 H LYS A 41 14.855 -29.384 -45.543 1.00 0.00 H new ATOM 0 HA LYS A 41 16.415 -29.720 -48.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.319 -31.423 -46.746 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.827 -31.695 -45.869 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.225 -33.598 -47.253 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.844 -32.740 -47.907 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.041 -31.980 -49.803 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.601 -32.188 -49.033 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.719 -34.411 -49.941 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.243 -33.972 -50.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.875 -35.718 -49.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.169 -34.438 -48.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.758 -35.370 -48.142 1.00 0.00 H new ATOM 634 N LEU A 42 14.346 -29.954 -49.264 1.00 0.00 N ATOM 635 CA LEU A 42 13.165 -29.911 -50.104 1.00 0.00 C ATOM 636 C LEU A 42 13.445 -30.709 -51.384 1.00 0.00 C ATOM 637 O LEU A 42 14.595 -30.815 -51.837 1.00 0.00 O ATOM 638 CB LEU A 42 12.810 -28.405 -50.361 1.00 0.00 C ATOM 639 CG LEU A 42 11.777 -28.063 -51.498 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.014 -26.744 -51.219 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.467 -27.980 -52.870 1.00 0.00 C ATOM 0 H LEU A 42 15.208 -29.792 -49.785 1.00 0.00 H new ATOM 0 HA LEU A 42 12.298 -30.373 -49.633 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.427 -27.990 -49.429 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.738 -27.879 -50.586 1.00 0.00 H new ATOM 0 HG LEU A 42 11.052 -28.877 -51.510 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.313 -26.550 -52.031 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.467 -26.832 -50.280 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.725 -25.920 -51.149 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.728 -27.742 -53.635 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.229 -27.201 -52.847 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.934 -28.938 -53.101 1.00 0.00 H new ATOM 653 N PHE A 43 12.375 -31.261 -51.945 1.00 0.00 N ATOM 654 CA PHE A 43 12.372 -31.952 -53.230 1.00 0.00 C ATOM 655 C PHE A 43 11.170 -31.446 -54.047 1.00 0.00 C ATOM 656 O PHE A 43 10.082 -31.251 -53.495 1.00 0.00 O ATOM 657 CB PHE A 43 12.299 -33.479 -52.976 1.00 0.00 C ATOM 658 CG PHE A 43 11.991 -34.327 -54.209 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.866 -34.368 -55.291 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.811 -35.073 -54.287 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.571 -35.119 -56.409 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.520 -35.828 -55.406 1.00 0.00 C ATOM 663 CZ PHE A 43 11.399 -35.851 -56.465 1.00 0.00 C ATOM 0 H PHE A 43 11.456 -31.239 -51.504 1.00 0.00 H new ATOM 0 HA PHE A 43 13.282 -31.751 -53.796 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.250 -33.808 -52.556 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.535 -33.670 -52.223 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.787 -33.805 -55.254 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.117 -35.059 -53.460 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.257 -35.136 -57.243 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.605 -36.399 -55.450 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.173 -36.441 -57.341 1.00 0.00 H new ATOM 673 N TYR A 44 11.382 -31.204 -55.353 1.00 0.00 N ATOM 674 CA TYR A 44 10.295 -30.806 -56.281 1.00 0.00 C ATOM 675 C TYR A 44 9.813 -32.013 -57.122 1.00 0.00 C ATOM 676 O TYR A 44 10.503 -32.421 -58.068 1.00 0.00 O ATOM 677 CB TYR A 44 10.742 -29.655 -57.224 1.00 0.00 C ATOM 678 CG TYR A 44 10.709 -28.247 -56.613 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.877 -27.587 -56.230 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.498 -27.587 -56.406 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.829 -26.324 -55.663 1.00 0.00 C ATOM 682 CE2 TYR A 44 9.452 -26.326 -55.844 1.00 0.00 C ATOM 683 CZ TYR A 44 10.621 -25.702 -55.473 1.00 0.00 C ATOM 684 OH TYR A 44 10.581 -24.450 -54.903 1.00 0.00 O ATOM 0 H TYR A 44 12.298 -31.276 -55.796 1.00 0.00 H new ATOM 0 HA TYR A 44 9.468 -30.448 -55.669 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.757 -29.861 -57.563 1.00 0.00 H new ATOM 0 HB3 TYR A 44 10.103 -29.664 -58.107 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.833 -28.068 -56.378 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.576 -28.072 -56.691 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.743 -25.829 -55.370 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.503 -25.832 -55.696 1.00 0.00 H new ATOM 0 HH TYR A 44 9.651 -24.149 -54.839 1.00 0.00 H new ATOM 694 N PRO A 45 8.628 -32.618 -56.792 1.00 0.00 N ATOM 695 CA PRO A 45 7.951 -33.572 -57.689 1.00 0.00 C ATOM 696 C PRO A 45 7.094 -32.832 -58.738 1.00 0.00 C ATOM 697 O PRO A 45 6.889 -31.613 -58.635 1.00 0.00 O ATOM 698 CB PRO A 45 7.079 -34.392 -56.707 1.00 0.00 C ATOM 699 CG PRO A 45 6.683 -33.394 -55.658 1.00 0.00 C ATOM 700 CD PRO A 45 7.863 -32.437 -55.524 1.00 0.00 C ATOM 0 HA PRO A 45 8.634 -34.190 -58.272 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.207 -34.816 -57.205 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.636 -35.224 -56.277 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.778 -32.860 -55.949 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.471 -33.888 -54.710 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.528 -31.407 -55.405 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.473 -32.677 -54.653 1.00 0.00 H new ATOM 852 N GLU A 55 14.997 -30.584 -59.673 1.00 0.00 N ATOM 853 CA GLU A 55 15.961 -31.263 -58.798 1.00 0.00 C ATOM 854 C GLU A 55 15.736 -30.898 -57.303 1.00 0.00 C ATOM 855 O GLU A 55 14.816 -30.145 -56.947 1.00 0.00 O ATOM 856 CB GLU A 55 17.423 -30.926 -59.240 1.00 0.00 C ATOM 857 CG GLU A 55 17.767 -29.405 -59.304 1.00 0.00 C ATOM 858 CD GLU A 55 17.729 -28.806 -60.724 1.00 0.00 C ATOM 859 OE1 GLU A 55 16.645 -28.766 -61.344 1.00 0.00 O ATOM 860 OE2 GLU A 55 18.778 -28.345 -61.217 1.00 0.00 O ATOM 0 HA GLU A 55 15.804 -32.337 -58.895 1.00 0.00 H new ATOM 0 HB2 GLU A 55 18.114 -31.409 -58.549 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.597 -31.363 -60.223 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.066 -28.859 -58.673 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.761 -29.251 -58.884 1.00 0.00 H new ATOM 867 N VAL A 56 16.604 -31.446 -56.451 1.00 0.00 N ATOM 868 CA VAL A 56 16.547 -31.285 -54.994 1.00 0.00 C ATOM 869 C VAL A 56 17.215 -29.958 -54.577 1.00 0.00 C ATOM 870 O VAL A 56 18.227 -29.558 -55.161 1.00 0.00 O ATOM 871 CB VAL A 56 17.277 -32.496 -54.318 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.391 -32.332 -52.789 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.589 -33.833 -54.686 1.00 0.00 C ATOM 0 H VAL A 56 17.384 -32.027 -56.760 1.00 0.00 H new ATOM 0 HA VAL A 56 15.506 -31.260 -54.670 1.00 0.00 H new ATOM 0 HB VAL A 56 18.294 -32.515 -54.710 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.904 -33.196 -52.368 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.956 -31.428 -52.561 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.394 -32.255 -52.356 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.115 -34.657 -54.204 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.554 -33.815 -54.346 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.614 -33.969 -55.767 1.00 0.00 H new ATOM 883 N VAL A 57 16.632 -29.279 -53.569 1.00 0.00 N ATOM 884 CA VAL A 57 17.143 -27.999 -53.039 1.00 0.00 C ATOM 885 C VAL A 57 17.399 -28.133 -51.523 1.00 0.00 C ATOM 886 O VAL A 57 16.500 -28.519 -50.772 1.00 0.00 O ATOM 887 CB VAL A 57 16.126 -26.819 -53.309 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.654 -25.457 -52.770 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.771 -26.721 -54.818 1.00 0.00 C ATOM 0 H VAL A 57 15.789 -29.605 -53.097 1.00 0.00 H new ATOM 0 HA VAL A 57 18.076 -27.764 -53.552 1.00 0.00 H new ATOM 0 HB VAL A 57 15.214 -27.051 -52.759 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.923 -24.676 -52.978 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.813 -25.529 -51.694 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.596 -25.212 -53.261 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.070 -25.901 -54.974 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.678 -26.538 -55.394 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.315 -27.655 -55.146 1.00 0.00 H new ATOM 899 N PHE A 58 18.638 -27.843 -51.093 1.00 0.00 N ATOM 900 CA PHE A 58 19.006 -27.749 -49.667 1.00 0.00 C ATOM 901 C PHE A 58 19.092 -26.266 -49.261 1.00 0.00 C ATOM 902 O PHE A 58 19.968 -25.549 -49.730 1.00 0.00 O ATOM 903 CB PHE A 58 20.362 -28.466 -49.378 1.00 0.00 C ATOM 904 CG PHE A 58 20.263 -29.976 -49.164 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.197 -30.856 -50.239 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.260 -30.519 -47.872 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.134 -32.223 -50.037 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.189 -31.888 -47.675 1.00 0.00 C ATOM 909 CZ PHE A 58 20.133 -32.738 -48.760 1.00 0.00 C ATOM 0 H PHE A 58 19.418 -27.666 -51.726 1.00 0.00 H new ATOM 0 HA PHE A 58 18.238 -28.250 -49.078 1.00 0.00 H new ATOM 0 HB2 PHE A 58 21.040 -28.276 -50.210 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.811 -28.018 -48.492 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.195 -30.466 -51.246 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.314 -29.860 -47.018 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.085 -32.890 -50.885 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.177 -32.290 -46.673 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.088 -33.806 -48.608 1.00 0.00 H new ATOM 919 N VAL A 59 18.187 -25.824 -48.382 1.00 0.00 N ATOM 920 CA VAL A 59 18.193 -24.459 -47.833 1.00 0.00 C ATOM 921 C VAL A 59 19.243 -24.357 -46.721 1.00 0.00 C ATOM 922 O VAL A 59 19.283 -25.185 -45.812 1.00 0.00 O ATOM 923 CB VAL A 59 16.761 -24.051 -47.306 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.811 -22.929 -46.226 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.858 -23.627 -48.484 1.00 0.00 C ATOM 0 H VAL A 59 17.426 -26.403 -48.028 1.00 0.00 H new ATOM 0 HA VAL A 59 18.454 -23.760 -48.628 1.00 0.00 H new ATOM 0 HB VAL A 59 16.338 -24.932 -46.823 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.798 -22.691 -45.902 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.394 -23.272 -45.371 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.276 -22.038 -46.648 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.874 -23.348 -48.106 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.305 -22.775 -48.996 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.757 -24.458 -49.182 1.00 0.00 H new ATOM 935 N ALA A 60 20.077 -23.316 -46.824 1.00 0.00 N ATOM 936 CA ALA A 60 21.205 -23.087 -45.917 1.00 0.00 C ATOM 937 C ALA A 60 20.762 -22.357 -44.634 1.00 0.00 C ATOM 938 O ALA A 60 19.763 -21.624 -44.661 1.00 0.00 O ATOM 939 CB ALA A 60 22.297 -22.292 -46.641 1.00 0.00 C ATOM 0 H ALA A 60 19.986 -22.602 -47.547 1.00 0.00 H new ATOM 0 HA ALA A 60 21.604 -24.056 -45.617 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.134 -22.124 -45.964 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.641 -22.854 -47.510 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.894 -21.333 -46.965 1.00 0.00 H new ATOM 945 N PRO A 61 21.520 -22.536 -43.498 1.00 0.00 N ATOM 946 CA PRO A 61 21.238 -21.844 -42.212 1.00 0.00 C ATOM 947 C PRO A 61 21.307 -20.304 -42.322 1.00 0.00 C ATOM 948 O PRO A 61 20.564 -19.589 -41.644 1.00 0.00 O ATOM 949 CB PRO A 61 22.344 -22.388 -41.259 1.00 0.00 C ATOM 950 CG PRO A 61 23.413 -22.906 -42.162 1.00 0.00 C ATOM 951 CD PRO A 61 22.684 -23.461 -43.356 1.00 0.00 C ATOM 0 HA PRO A 61 20.224 -22.040 -41.864 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.725 -21.602 -40.607 1.00 0.00 H new ATOM 0 HB3 PRO A 61 21.956 -23.176 -40.614 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.101 -22.112 -42.454 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.006 -23.676 -41.669 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.311 -23.461 -44.248 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.364 -24.490 -43.191 1.00 0.00 H new ATOM 959 N THR A 62 22.210 -19.809 -43.188 1.00 0.00 N ATOM 960 CA THR A 62 22.391 -18.362 -43.423 1.00 0.00 C ATOM 961 C THR A 62 21.402 -17.830 -44.484 1.00 0.00 C ATOM 962 O THR A 62 21.387 -16.631 -44.780 1.00 0.00 O ATOM 963 CB THR A 62 23.868 -18.047 -43.844 1.00 0.00 C ATOM 964 OG1 THR A 62 24.095 -16.632 -43.874 1.00 0.00 O ATOM 965 CG2 THR A 62 24.226 -18.631 -45.216 1.00 0.00 C ATOM 0 H THR A 62 22.833 -20.396 -43.743 1.00 0.00 H new ATOM 0 HA THR A 62 22.179 -17.850 -42.484 1.00 0.00 H new ATOM 0 HB THR A 62 24.505 -18.516 -43.095 1.00 0.00 H new ATOM 0 HG1 THR A 62 23.300 -16.181 -44.227 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.259 -18.383 -45.458 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.108 -19.714 -45.192 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.565 -18.211 -45.974 1.00 0.00 H new ATOM 973 N GLY A 63 20.582 -18.732 -45.063 1.00 0.00 N ATOM 974 CA GLY A 63 19.584 -18.355 -46.067 1.00 0.00 C ATOM 975 C GLY A 63 20.075 -18.500 -47.503 1.00 0.00 C ATOM 976 O GLY A 63 19.258 -18.537 -48.426 1.00 0.00 O ATOM 0 H GLY A 63 20.598 -19.729 -44.846 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.695 -18.971 -45.932 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.284 -17.321 -45.898 1.00 0.00 H new ATOM 980 N GLU A 64 21.407 -18.577 -47.689 1.00 0.00 N ATOM 981 CA GLU A 64 22.049 -18.758 -49.011 1.00 0.00 C ATOM 982 C GLU A 64 21.822 -20.205 -49.505 1.00 0.00 C ATOM 983 O GLU A 64 22.707 -21.070 -49.405 1.00 0.00 O ATOM 984 CB GLU A 64 23.563 -18.399 -48.912 1.00 0.00 C ATOM 985 CG GLU A 64 24.365 -18.529 -50.227 1.00 0.00 C ATOM 986 CD GLU A 64 25.831 -18.095 -50.075 1.00 0.00 C ATOM 987 OE1 GLU A 64 26.277 -17.176 -50.792 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.549 -18.660 -49.210 1.00 0.00 O ATOM 0 H GLU A 64 22.076 -18.515 -46.921 1.00 0.00 H new ATOM 0 HA GLU A 64 21.600 -18.087 -49.743 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.653 -17.374 -48.552 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.023 -19.042 -48.161 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.331 -19.564 -50.568 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.890 -17.923 -50.999 1.00 0.00 H new ATOM 995 N GLU A 65 20.590 -20.455 -49.990 1.00 0.00 N ATOM 996 CA GLU A 65 20.106 -21.797 -50.371 1.00 0.00 C ATOM 997 C GLU A 65 20.878 -22.358 -51.571 1.00 0.00 C ATOM 998 O GLU A 65 21.438 -21.617 -52.380 1.00 0.00 O ATOM 999 CB GLU A 65 18.577 -21.794 -50.692 1.00 0.00 C ATOM 1000 CG GLU A 65 18.124 -20.949 -51.922 1.00 0.00 C ATOM 1001 CD GLU A 65 18.161 -19.421 -51.700 1.00 0.00 C ATOM 1002 OE1 GLU A 65 17.166 -18.862 -51.199 1.00 0.00 O ATOM 1003 OE2 GLU A 65 19.190 -18.778 -52.007 1.00 0.00 O ATOM 0 H GLU A 65 19.895 -19.722 -50.130 1.00 0.00 H new ATOM 0 HA GLU A 65 20.280 -22.441 -49.509 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.260 -22.825 -50.851 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.045 -21.429 -49.813 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.762 -21.195 -52.771 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.109 -21.239 -52.192 1.00 0.00 H new ATOM 1010 N ILE A 66 20.843 -23.683 -51.688 1.00 0.00 N ATOM 1011 CA ILE A 66 21.654 -24.447 -52.627 1.00 0.00 C ATOM 1012 C ILE A 66 20.734 -25.198 -53.602 1.00 0.00 C ATOM 1013 O ILE A 66 19.894 -25.996 -53.175 1.00 0.00 O ATOM 1014 CB ILE A 66 22.545 -25.470 -51.848 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.451 -24.758 -50.778 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.366 -26.336 -52.812 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.365 -23.663 -51.300 1.00 0.00 C ATOM 0 H ILE A 66 20.234 -24.268 -51.117 1.00 0.00 H new ATOM 0 HA ILE A 66 22.298 -23.767 -53.185 1.00 0.00 H new ATOM 0 HB ILE A 66 21.879 -26.136 -51.300 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.805 -24.330 -50.012 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.066 -25.515 -50.290 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.975 -27.037 -52.242 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.693 -26.889 -53.467 1.00 0.00 H new ATOM 0 HG23 ILE A 66 24.014 -25.698 -53.413 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.941 -23.245 -50.474 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.046 -24.080 -52.042 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.766 -22.877 -51.759 1.00 0.00 H new ATOM 1029 N SER A 67 20.917 -24.941 -54.896 1.00 0.00 N ATOM 1030 CA SER A 67 20.111 -25.538 -55.975 1.00 0.00 C ATOM 1031 C SER A 67 20.757 -26.811 -56.555 1.00 0.00 C ATOM 1032 O SER A 67 20.067 -27.628 -57.175 1.00 0.00 O ATOM 1033 CB SER A 67 19.909 -24.483 -57.088 1.00 0.00 C ATOM 1034 OG SER A 67 21.119 -23.807 -57.389 1.00 0.00 O ATOM 0 H SER A 67 21.638 -24.304 -55.236 1.00 0.00 H new ATOM 0 HA SER A 67 19.150 -25.838 -55.557 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.529 -24.969 -57.987 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.156 -23.761 -56.774 1.00 0.00 H new ATOM 0 HG SER A 67 21.741 -24.428 -57.823 1.00 0.00 H new ATOM 1040 N ASN A 68 22.081 -26.970 -56.368 1.00 0.00 N ATOM 1041 CA ASN A 68 22.852 -28.055 -57.008 1.00 0.00 C ATOM 1042 C ASN A 68 24.096 -28.412 -56.192 1.00 0.00 C ATOM 1043 O ASN A 68 24.539 -27.630 -55.348 1.00 0.00 O ATOM 1044 CB ASN A 68 23.245 -27.656 -58.455 1.00 0.00 C ATOM 1045 CG ASN A 68 23.949 -26.299 -58.530 1.00 0.00 C ATOM 1046 OD1 ASN A 68 23.317 -25.265 -58.713 1.00 0.00 O ATOM 1047 ND2 ASN A 68 25.258 -26.289 -58.365 1.00 0.00 N ATOM 0 H ASN A 68 22.642 -26.358 -55.776 1.00 0.00 H new ATOM 0 HA ASN A 68 22.217 -28.940 -57.048 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.899 -28.422 -58.873 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.349 -27.629 -59.075 1.00 0.00 H new ATOM 0 HD21 ASN A 68 25.768 -25.406 -58.388 1.00 0.00 H new ATOM 0 HD22 ASN A 68 25.760 -27.164 -58.214 1.00 0.00 H new ATOM 1054 N ARG A 69 24.691 -29.571 -56.533 1.00 0.00 N ATOM 1055 CA ARG A 69 25.785 -30.205 -55.764 1.00 0.00 C ATOM 1056 C ARG A 69 27.012 -29.281 -55.639 1.00 0.00 C ATOM 1057 O ARG A 69 27.609 -29.194 -54.569 1.00 0.00 O ATOM 1058 CB ARG A 69 26.213 -31.544 -56.434 1.00 0.00 C ATOM 1059 CG ARG A 69 27.046 -32.489 -55.527 1.00 0.00 C ATOM 1060 CD ARG A 69 27.846 -33.549 -56.302 1.00 0.00 C ATOM 1061 NE ARG A 69 28.969 -32.937 -57.043 1.00 0.00 N ATOM 1062 CZ ARG A 69 29.850 -33.588 -57.810 1.00 0.00 C ATOM 1063 NH1 ARG A 69 29.714 -34.876 -58.067 1.00 0.00 N ATOM 1064 NH2 ARG A 69 30.867 -32.927 -58.324 1.00 0.00 N ATOM 0 H ARG A 69 24.423 -30.102 -57.361 1.00 0.00 H new ATOM 0 HA ARG A 69 25.402 -30.399 -54.762 1.00 0.00 H new ATOM 0 HB2 ARG A 69 25.318 -32.073 -56.761 1.00 0.00 H new ATOM 0 HB3 ARG A 69 26.793 -31.317 -57.328 1.00 0.00 H new ATOM 0 HG2 ARG A 69 27.736 -31.891 -54.932 1.00 0.00 H new ATOM 0 HG3 ARG A 69 26.376 -32.991 -54.830 1.00 0.00 H new ATOM 0 HD2 ARG A 69 28.230 -34.297 -55.609 1.00 0.00 H new ATOM 0 HD3 ARG A 69 27.187 -34.068 -56.999 1.00 0.00 H new ATOM 0 HE ARG A 69 29.082 -31.927 -56.962 1.00 0.00 H new ATOM 0 HH11 ARG A 69 28.926 -35.393 -57.678 1.00 0.00 H new ATOM 0 HH12 ARG A 69 30.397 -35.354 -58.655 1.00 0.00 H new ATOM 0 HH21 ARG A 69 30.975 -31.930 -58.135 1.00 0.00 H new ATOM 0 HH22 ARG A 69 31.546 -33.412 -58.911 1.00 0.00 H new ATOM 1078 N LYS A 70 27.360 -28.598 -56.751 1.00 0.00 N ATOM 1079 CA LYS A 70 28.518 -27.670 -56.823 1.00 0.00 C ATOM 1080 C LYS A 70 28.388 -26.594 -55.739 1.00 0.00 C ATOM 1081 O LYS A 70 29.316 -26.383 -54.954 1.00 0.00 O ATOM 1082 CB LYS A 70 28.611 -27.017 -58.244 1.00 0.00 C ATOM 1083 CG LYS A 70 30.021 -26.534 -58.688 1.00 0.00 C ATOM 1084 CD LYS A 70 30.610 -25.365 -57.857 1.00 0.00 C ATOM 1085 CE LYS A 70 32.073 -25.051 -58.219 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.967 -26.229 -58.012 1.00 0.00 N ATOM 0 H LYS A 70 26.846 -28.673 -57.629 1.00 0.00 H new ATOM 0 HA LYS A 70 29.435 -28.233 -56.650 1.00 0.00 H new ATOM 0 HB2 LYS A 70 28.250 -27.739 -58.977 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.932 -26.165 -58.274 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.709 -27.378 -58.637 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.970 -26.227 -59.733 1.00 0.00 H new ATOM 0 HD2 LYS A 70 30.003 -24.473 -58.013 1.00 0.00 H new ATOM 0 HD3 LYS A 70 30.548 -25.612 -56.797 1.00 0.00 H new ATOM 0 HE2 LYS A 70 32.128 -24.733 -59.260 1.00 0.00 H new ATOM 0 HE3 LYS A 70 32.426 -24.217 -57.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.959 -25.917 -58.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.750 -26.673 -57.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 32.816 -26.918 -58.776 1.00 0.00 H new ATOM 1100 N GLN A 71 27.207 -25.944 -55.707 1.00 0.00 N ATOM 1101 CA GLN A 71 26.906 -24.859 -54.753 1.00 0.00 C ATOM 1102 C GLN A 71 27.002 -25.347 -53.300 1.00 0.00 C ATOM 1103 O GLN A 71 27.380 -24.585 -52.424 1.00 0.00 O ATOM 1104 CB GLN A 71 25.511 -24.240 -55.027 1.00 0.00 C ATOM 1105 CG GLN A 71 25.426 -23.397 -56.311 1.00 0.00 C ATOM 1106 CD GLN A 71 24.048 -22.761 -56.543 1.00 0.00 C ATOM 1107 OE1 GLN A 71 23.299 -22.486 -55.598 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.714 -22.499 -57.800 1.00 0.00 N ATOM 0 H GLN A 71 26.437 -26.157 -56.341 1.00 0.00 H new ATOM 0 HA GLN A 71 27.658 -24.083 -54.899 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.777 -25.043 -55.086 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.232 -23.615 -54.179 1.00 0.00 H new ATOM 0 HG2 GLN A 71 26.177 -22.609 -56.268 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.674 -24.027 -57.165 1.00 0.00 H new ATOM 0 HE21 GLN A 71 24.353 -22.738 -58.558 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.818 -22.059 -58.008 1.00 0.00 H new ATOM 1117 N LEU A 72 26.680 -26.632 -53.067 1.00 0.00 N ATOM 1118 CA LEU A 72 26.769 -27.253 -51.725 1.00 0.00 C ATOM 1119 C LEU A 72 28.249 -27.351 -51.305 1.00 0.00 C ATOM 1120 O LEU A 72 28.626 -26.922 -50.213 1.00 0.00 O ATOM 1121 CB LEU A 72 26.095 -28.667 -51.749 1.00 0.00 C ATOM 1122 CG LEU A 72 25.514 -29.223 -50.404 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.573 -29.411 -49.321 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.358 -28.349 -49.900 1.00 0.00 C ATOM 0 H LEU A 72 26.353 -27.268 -53.794 1.00 0.00 H new ATOM 0 HA LEU A 72 26.241 -26.638 -50.996 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.285 -28.639 -52.478 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.830 -29.382 -52.117 1.00 0.00 H new ATOM 0 HG LEU A 72 25.128 -30.218 -50.627 1.00 0.00 H new ATOM 0 HD11 LEU A 72 26.104 -29.798 -48.417 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.328 -30.116 -49.669 1.00 0.00 H new ATOM 0 HD13 LEU A 72 27.045 -28.453 -49.103 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.974 -28.758 -48.965 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.716 -27.333 -49.732 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.562 -28.334 -50.644 1.00 0.00 H new ATOM 1136 N GLU A 73 29.064 -27.906 -52.211 1.00 0.00 N ATOM 1137 CA GLU A 73 30.485 -28.190 -51.965 1.00 0.00 C ATOM 1138 C GLU A 73 31.275 -26.894 -51.699 1.00 0.00 C ATOM 1139 O GLU A 73 31.967 -26.787 -50.673 1.00 0.00 O ATOM 1140 CB GLU A 73 31.059 -28.969 -53.173 1.00 0.00 C ATOM 1141 CG GLU A 73 30.363 -30.318 -53.433 1.00 0.00 C ATOM 1142 CD GLU A 73 30.830 -30.997 -54.730 1.00 0.00 C ATOM 1143 OE1 GLU A 73 31.728 -31.867 -54.681 1.00 0.00 O ATOM 1144 OE2 GLU A 73 30.318 -30.638 -55.812 1.00 0.00 O ATOM 0 H GLU A 73 28.753 -28.173 -53.145 1.00 0.00 H new ATOM 0 HA GLU A 73 30.581 -28.804 -51.069 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.974 -28.350 -54.066 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.122 -29.146 -53.007 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.552 -30.985 -52.592 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.285 -30.161 -53.480 1.00 0.00 H new ATOM 1151 N GLN A 74 31.125 -25.897 -52.597 1.00 0.00 N ATOM 1152 CA GLN A 74 31.814 -24.605 -52.467 1.00 0.00 C ATOM 1153 C GLN A 74 31.308 -23.823 -51.235 1.00 0.00 C ATOM 1154 O GLN A 74 32.077 -23.077 -50.627 1.00 0.00 O ATOM 1155 CB GLN A 74 31.757 -23.767 -53.791 1.00 0.00 C ATOM 1156 CG GLN A 74 30.357 -23.386 -54.351 1.00 0.00 C ATOM 1157 CD GLN A 74 29.693 -22.180 -53.674 1.00 0.00 C ATOM 1158 OE1 GLN A 74 28.927 -22.321 -52.734 1.00 0.00 O ATOM 1159 NE2 GLN A 74 30.012 -20.984 -54.132 1.00 0.00 N ATOM 0 H GLN A 74 30.529 -25.968 -53.422 1.00 0.00 H new ATOM 0 HA GLN A 74 32.871 -24.810 -52.295 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.314 -22.845 -53.627 1.00 0.00 H new ATOM 0 HB3 GLN A 74 32.286 -24.326 -54.563 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.453 -23.178 -55.417 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.697 -24.248 -54.253 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.655 -20.894 -54.919 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.616 -20.150 -53.699 1.00 0.00 H new ATOM 1168 N TYR A 75 30.024 -24.043 -50.855 1.00 0.00 N ATOM 1169 CA TYR A 75 29.428 -23.434 -49.650 1.00 0.00 C ATOM 1170 C TYR A 75 30.171 -23.918 -48.402 1.00 0.00 C ATOM 1171 O TYR A 75 30.662 -23.105 -47.633 1.00 0.00 O ATOM 1172 CB TYR A 75 27.911 -23.762 -49.542 1.00 0.00 C ATOM 1173 CG TYR A 75 27.195 -23.155 -48.320 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.489 -21.954 -48.408 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.236 -23.787 -47.075 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.859 -21.418 -47.300 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.614 -23.252 -45.978 1.00 0.00 C ATOM 1178 CZ TYR A 75 25.928 -22.079 -46.090 1.00 0.00 C ATOM 1179 OH TYR A 75 25.303 -21.561 -44.984 1.00 0.00 O ATOM 0 H TYR A 75 29.382 -24.643 -51.373 1.00 0.00 H new ATOM 0 HA TYR A 75 29.527 -22.351 -49.728 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.414 -23.410 -50.446 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.791 -24.845 -49.513 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.434 -21.436 -49.354 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.771 -24.720 -46.975 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.316 -20.488 -47.381 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.667 -23.759 -45.026 1.00 0.00 H new ATOM 0 HH TYR A 75 25.451 -22.153 -44.217 1.00 0.00 H new ATOM 1189 N LEU A 76 30.263 -25.251 -48.235 1.00 0.00 N ATOM 1190 CA LEU A 76 30.818 -25.873 -47.011 1.00 0.00 C ATOM 1191 C LEU A 76 32.281 -25.465 -46.775 1.00 0.00 C ATOM 1192 O LEU A 76 32.660 -25.117 -45.654 1.00 0.00 O ATOM 1193 CB LEU A 76 30.706 -27.414 -47.071 1.00 0.00 C ATOM 1194 CG LEU A 76 29.269 -28.006 -47.162 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.318 -29.535 -47.099 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.325 -27.432 -46.084 1.00 0.00 C ATOM 0 H LEU A 76 29.958 -25.925 -48.937 1.00 0.00 H new ATOM 0 HA LEU A 76 30.224 -25.507 -46.173 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.274 -27.763 -47.934 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.188 -27.825 -46.184 1.00 0.00 H new ATOM 0 HG LEU A 76 28.854 -27.708 -48.125 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.306 -29.934 -47.164 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.912 -29.915 -47.931 1.00 0.00 H new ATOM 0 HD13 LEU A 76 29.771 -29.846 -46.158 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.336 -27.878 -46.192 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.721 -27.661 -45.095 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.251 -26.351 -46.203 1.00 0.00 H new ATOM 1208 N LYS A 77 33.092 -25.488 -47.846 1.00 0.00 N ATOM 1209 CA LYS A 77 34.533 -25.165 -47.752 1.00 0.00 C ATOM 1210 C LYS A 77 34.757 -23.662 -47.447 1.00 0.00 C ATOM 1211 O LYS A 77 35.788 -23.287 -46.884 1.00 0.00 O ATOM 1212 CB LYS A 77 35.286 -25.653 -49.034 1.00 0.00 C ATOM 1213 CG LYS A 77 34.887 -24.992 -50.386 1.00 0.00 C ATOM 1214 CD LYS A 77 35.626 -23.658 -50.662 1.00 0.00 C ATOM 1215 CE LYS A 77 35.292 -23.049 -52.029 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.963 -21.741 -52.238 1.00 0.00 N ATOM 0 H LYS A 77 32.779 -25.726 -48.787 1.00 0.00 H new ATOM 0 HA LYS A 77 34.961 -25.706 -46.908 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.353 -25.493 -48.881 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.135 -26.729 -49.126 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.096 -25.689 -51.198 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.812 -24.811 -50.390 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.371 -22.942 -49.881 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.701 -23.827 -50.601 1.00 0.00 H new ATOM 0 HE2 LYS A 77 35.593 -23.740 -52.816 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.213 -22.920 -52.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.709 -21.366 -53.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.657 -21.072 -51.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.994 -21.867 -52.184 1.00 0.00 H new ATOM 1230 N SER A 78 33.773 -22.808 -47.818 1.00 0.00 N ATOM 1231 CA SER A 78 33.836 -21.347 -47.566 1.00 0.00 C ATOM 1232 C SER A 78 33.036 -20.947 -46.308 1.00 0.00 C ATOM 1233 O SER A 78 33.146 -19.817 -45.834 1.00 0.00 O ATOM 1234 CB SER A 78 33.309 -20.579 -48.796 1.00 0.00 C ATOM 1235 OG SER A 78 31.932 -20.839 -49.031 1.00 0.00 O ATOM 0 H SER A 78 32.922 -23.107 -48.295 1.00 0.00 H new ATOM 0 HA SER A 78 34.879 -21.084 -47.390 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.457 -19.509 -48.647 1.00 0.00 H new ATOM 0 HB3 SER A 78 33.887 -20.861 -49.676 1.00 0.00 H new ATOM 0 HG SER A 78 31.840 -21.657 -49.562 1.00 0.00 H new ATOM 1241 N HIS A 79 32.214 -21.874 -45.788 1.00 0.00 N ATOM 1242 CA HIS A 79 31.387 -21.652 -44.586 1.00 0.00 C ATOM 1243 C HIS A 79 31.591 -22.840 -43.626 1.00 0.00 C ATOM 1244 O HIS A 79 30.899 -23.862 -43.758 1.00 0.00 O ATOM 1245 CB HIS A 79 29.876 -21.508 -44.940 1.00 0.00 C ATOM 1246 CG HIS A 79 29.523 -20.326 -45.805 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.186 -19.100 -45.285 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.393 -20.206 -47.148 1.00 0.00 C ATOM 1249 CE1 HIS A 79 28.863 -18.283 -46.263 1.00 0.00 C ATOM 1250 NE2 HIS A 79 28.979 -18.925 -47.408 1.00 0.00 N ATOM 0 H HIS A 79 32.103 -22.804 -46.191 1.00 0.00 H new ATOM 0 HA HIS A 79 31.698 -20.720 -44.115 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.551 -22.417 -45.446 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.308 -21.440 -44.012 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.581 -20.978 -47.880 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.553 -17.255 -46.147 1.00 0.00 H new ATOM 0 HE2 HIS A 79 28.792 -18.535 -48.332 1.00 0.00 H new ATOM 1259 N PRO A 80 32.581 -22.756 -42.680 1.00 0.00 N ATOM 1260 CA PRO A 80 32.792 -23.810 -41.650 1.00 0.00 C ATOM 1261 C PRO A 80 31.618 -23.886 -40.648 1.00 0.00 C ATOM 1262 O PRO A 80 30.774 -22.984 -40.597 1.00 0.00 O ATOM 1263 CB PRO A 80 34.111 -23.372 -40.960 1.00 0.00 C ATOM 1264 CG PRO A 80 34.181 -21.890 -41.178 1.00 0.00 C ATOM 1265 CD PRO A 80 33.575 -21.649 -42.545 1.00 0.00 C ATOM 0 HA PRO A 80 32.847 -24.811 -42.077 1.00 0.00 H new ATOM 0 HB2 PRO A 80 34.102 -23.616 -39.898 1.00 0.00 H new ATOM 0 HB3 PRO A 80 34.973 -23.877 -41.396 1.00 0.00 H new ATOM 0 HG2 PRO A 80 33.630 -21.354 -40.405 1.00 0.00 H new ATOM 0 HG3 PRO A 80 35.211 -21.536 -41.138 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.098 -20.671 -42.607 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.329 -21.687 -43.332 1.00 0.00 H new ATOM 1273 N GLY A 81 31.566 -24.979 -39.863 1.00 0.00 N ATOM 1274 CA GLY A 81 30.504 -25.187 -38.869 1.00 0.00 C ATOM 1275 C GLY A 81 29.297 -25.949 -39.424 1.00 0.00 C ATOM 1276 O GLY A 81 28.485 -26.478 -38.654 1.00 0.00 O ATOM 0 H GLY A 81 32.252 -25.733 -39.901 1.00 0.00 H new ATOM 0 HA2 GLY A 81 30.912 -25.735 -38.020 1.00 0.00 H new ATOM 0 HA3 GLY A 81 30.173 -24.219 -38.493 1.00 0.00 H new ATOM 1280 N ASN A 82 29.187 -26.009 -40.759 1.00 0.00 N ATOM 1281 CA ASN A 82 28.071 -26.662 -41.455 1.00 0.00 C ATOM 1282 C ASN A 82 28.311 -28.184 -41.596 1.00 0.00 C ATOM 1283 O ASN A 82 29.458 -28.611 -41.751 1.00 0.00 O ATOM 1284 CB ASN A 82 27.873 -26.017 -42.854 1.00 0.00 C ATOM 1285 CG ASN A 82 27.301 -24.605 -42.780 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.087 -24.426 -42.804 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.159 -23.595 -42.687 1.00 0.00 N ATOM 0 H ASN A 82 29.877 -25.602 -41.391 1.00 0.00 H new ATOM 0 HA ASN A 82 27.168 -26.520 -40.861 1.00 0.00 H new ATOM 0 HB2 ASN A 82 28.830 -25.989 -43.375 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.206 -26.643 -43.446 1.00 0.00 H new ATOM 0 HD21 ASN A 82 27.814 -22.636 -42.633 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.162 -23.778 -42.669 1.00 0.00 H new ATOM 1294 N PRO A 83 27.219 -29.019 -41.507 1.00 0.00 N ATOM 1295 CA PRO A 83 27.261 -30.477 -41.813 1.00 0.00 C ATOM 1296 C PRO A 83 27.784 -30.776 -43.241 1.00 0.00 C ATOM 1297 O PRO A 83 27.605 -29.965 -44.152 1.00 0.00 O ATOM 1298 CB PRO A 83 25.777 -30.920 -41.664 1.00 0.00 C ATOM 1299 CG PRO A 83 25.155 -29.895 -40.772 1.00 0.00 C ATOM 1300 CD PRO A 83 25.870 -28.598 -41.066 1.00 0.00 C ATOM 0 HA PRO A 83 27.946 -31.009 -41.153 1.00 0.00 H new ATOM 0 HB2 PRO A 83 25.277 -30.957 -42.632 1.00 0.00 H new ATOM 0 HB3 PRO A 83 25.704 -31.917 -41.230 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.087 -29.804 -40.968 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.265 -30.172 -39.724 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.358 -28.028 -41.841 1.00 0.00 H new ATOM 0 HD3 PRO A 83 25.920 -27.962 -40.182 1.00 0.00 H new ATOM 1308 N ALA A 84 28.396 -31.963 -43.414 1.00 0.00 N ATOM 1309 CA ALA A 84 29.068 -32.361 -44.672 1.00 0.00 C ATOM 1310 C ALA A 84 28.060 -32.784 -45.764 1.00 0.00 C ATOM 1311 O ALA A 84 26.914 -33.100 -45.469 1.00 0.00 O ATOM 1312 CB ALA A 84 30.079 -33.486 -44.396 1.00 0.00 C ATOM 0 H ALA A 84 28.440 -32.676 -42.686 1.00 0.00 H new ATOM 0 HA ALA A 84 29.599 -31.489 -45.054 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.568 -33.772 -45.327 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.828 -33.136 -43.685 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.559 -34.349 -43.980 1.00 0.00 H new ATOM 1318 N ILE A 85 28.513 -32.793 -47.031 1.00 0.00 N ATOM 1319 CA ILE A 85 27.667 -33.147 -48.197 1.00 0.00 C ATOM 1320 C ILE A 85 27.377 -34.663 -48.246 1.00 0.00 C ATOM 1321 O ILE A 85 26.373 -35.100 -48.829 1.00 0.00 O ATOM 1322 CB ILE A 85 28.314 -32.678 -49.555 1.00 0.00 C ATOM 1323 CG1 ILE A 85 27.309 -32.870 -50.743 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.665 -33.391 -49.821 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.785 -32.345 -52.074 1.00 0.00 C ATOM 0 H ILE A 85 29.473 -32.556 -47.280 1.00 0.00 H new ATOM 0 HA ILE A 85 26.723 -32.617 -48.069 1.00 0.00 H new ATOM 0 HB ILE A 85 28.532 -31.613 -49.473 1.00 0.00 H new ATOM 0 HG12 ILE A 85 27.091 -33.933 -50.846 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.371 -32.376 -50.489 1.00 0.00 H new ATOM 0 HG21 ILE A 85 30.081 -33.042 -50.766 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.361 -33.165 -49.013 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.504 -34.468 -49.871 1.00 0.00 H new ATOM 0 HD11 ILE A 85 27.021 -32.525 -52.830 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.974 -31.274 -51.996 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.705 -32.856 -52.359 1.00 0.00 H new ATOM 1337 N ALA A 86 28.257 -35.457 -47.609 1.00 0.00 N ATOM 1338 CA ALA A 86 28.159 -36.928 -47.597 1.00 0.00 C ATOM 1339 C ALA A 86 26.895 -37.414 -46.854 1.00 0.00 C ATOM 1340 O ALA A 86 26.325 -38.448 -47.201 1.00 0.00 O ATOM 1341 CB ALA A 86 29.426 -37.528 -46.974 1.00 0.00 C ATOM 0 H ALA A 86 29.056 -35.097 -47.088 1.00 0.00 H new ATOM 0 HA ALA A 86 28.072 -37.271 -48.628 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.348 -38.615 -46.968 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.296 -37.230 -47.559 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.535 -37.166 -45.952 1.00 0.00 H new ATOM 1347 N GLU A 87 26.460 -36.650 -45.834 1.00 0.00 N ATOM 1348 CA GLU A 87 25.229 -36.943 -45.061 1.00 0.00 C ATOM 1349 C GLU A 87 23.993 -36.246 -45.687 1.00 0.00 C ATOM 1350 O GLU A 87 22.877 -36.346 -45.151 1.00 0.00 O ATOM 1351 CB GLU A 87 25.420 -36.498 -43.588 1.00 0.00 C ATOM 1352 CG GLU A 87 25.667 -34.991 -43.416 1.00 0.00 C ATOM 1353 CD GLU A 87 25.909 -34.569 -41.966 1.00 0.00 C ATOM 1354 OE1 GLU A 87 27.064 -34.242 -41.606 1.00 0.00 O ATOM 1355 OE2 GLU A 87 24.943 -34.562 -41.171 1.00 0.00 O ATOM 0 H GLU A 87 26.949 -35.812 -45.520 1.00 0.00 H new ATOM 0 HA GLU A 87 25.049 -38.018 -45.090 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.535 -36.778 -43.017 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.261 -37.044 -43.160 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.529 -34.702 -44.018 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.808 -34.444 -43.806 1.00 0.00 H new ATOM 1362 N PHE A 88 24.204 -35.512 -46.794 1.00 0.00 N ATOM 1363 CA PHE A 88 23.124 -34.837 -47.543 1.00 0.00 C ATOM 1364 C PHE A 88 22.627 -35.766 -48.664 1.00 0.00 C ATOM 1365 O PHE A 88 23.354 -36.047 -49.622 1.00 0.00 O ATOM 1366 CB PHE A 88 23.618 -33.468 -48.113 1.00 0.00 C ATOM 1367 CG PHE A 88 23.816 -32.347 -47.083 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.932 -31.032 -47.503 1.00 0.00 C ATOM 1369 CD2 PHE A 88 23.885 -32.593 -45.713 1.00 0.00 C ATOM 1370 CE1 PHE A 88 24.112 -30.005 -46.601 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.068 -31.565 -44.817 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.183 -30.271 -45.262 1.00 0.00 C ATOM 0 H PHE A 88 25.130 -35.369 -47.197 1.00 0.00 H new ATOM 0 HA PHE A 88 22.293 -34.625 -46.870 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.563 -33.631 -48.630 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.901 -33.127 -48.860 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.880 -30.807 -48.558 1.00 0.00 H new ATOM 0 HD2 PHE A 88 23.793 -33.606 -45.349 1.00 0.00 H new ATOM 0 HE1 PHE A 88 24.197 -28.988 -46.953 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.121 -31.777 -43.759 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.329 -29.466 -44.557 1.00 0.00 H new ATOM 1382 N ASP A 89 21.387 -36.254 -48.518 1.00 0.00 N ATOM 1383 CA ASP A 89 20.780 -37.225 -49.444 1.00 0.00 C ATOM 1384 C ASP A 89 20.167 -36.507 -50.655 1.00 0.00 C ATOM 1385 O ASP A 89 18.997 -36.113 -50.636 1.00 0.00 O ATOM 1386 CB ASP A 89 19.698 -38.073 -48.708 1.00 0.00 C ATOM 1387 CG ASP A 89 20.215 -38.707 -47.406 1.00 0.00 C ATOM 1388 OD1 ASP A 89 20.798 -39.813 -47.453 1.00 0.00 O ATOM 1389 OD2 ASP A 89 20.051 -38.091 -46.331 1.00 0.00 O ATOM 0 H ASP A 89 20.772 -35.985 -47.750 1.00 0.00 H new ATOM 0 HA ASP A 89 21.562 -37.895 -49.802 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.840 -37.440 -48.482 1.00 0.00 H new ATOM 0 HB3 ASP A 89 19.346 -38.861 -49.374 1.00 0.00 H new ATOM 1394 N TRP A 90 20.977 -36.300 -51.700 1.00 0.00 N ATOM 1395 CA TRP A 90 20.497 -35.758 -52.985 1.00 0.00 C ATOM 1396 C TRP A 90 19.743 -36.841 -53.794 1.00 0.00 C ATOM 1397 O TRP A 90 18.976 -36.516 -54.703 1.00 0.00 O ATOM 1398 CB TRP A 90 21.676 -35.189 -53.799 1.00 0.00 C ATOM 1399 CG TRP A 90 22.362 -34.010 -53.144 1.00 0.00 C ATOM 1400 CD1 TRP A 90 23.395 -34.040 -52.244 1.00 0.00 C ATOM 1401 CD2 TRP A 90 22.054 -32.622 -53.345 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.757 -32.764 -51.895 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.945 -31.878 -52.556 1.00 0.00 C ATOM 1404 CE3 TRP A 90 21.112 -31.937 -54.120 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.921 -30.489 -52.529 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 21.095 -30.554 -54.084 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.992 -29.844 -53.292 1.00 0.00 C ATOM 0 H TRP A 90 21.977 -36.500 -51.684 1.00 0.00 H new ATOM 0 HA TRP A 90 19.797 -34.948 -52.777 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.409 -35.980 -53.960 1.00 0.00 H new ATOM 0 HB3 TRP A 90 21.314 -34.886 -54.781 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.857 -34.939 -51.864 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.507 -32.515 -51.250 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.410 -32.479 -54.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.620 -29.934 -51.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.373 -30.016 -54.681 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.952 -28.765 -53.281 1.00 0.00 H new ATOM 1418 N THR A 91 19.960 -38.120 -53.415 1.00 0.00 N ATOM 1419 CA THR A 91 19.313 -39.321 -54.008 1.00 0.00 C ATOM 1420 C THR A 91 17.887 -39.565 -53.423 1.00 0.00 C ATOM 1421 O THR A 91 17.304 -40.645 -53.587 1.00 0.00 O ATOM 1422 CB THR A 91 20.229 -40.573 -53.754 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.728 -41.724 -54.446 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.364 -40.910 -52.253 1.00 0.00 C ATOM 0 H THR A 91 20.610 -38.357 -52.665 1.00 0.00 H new ATOM 0 HA THR A 91 19.194 -39.155 -55.079 1.00 0.00 H new ATOM 0 HB THR A 91 21.215 -40.311 -54.137 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.749 -41.725 -54.412 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.006 -41.782 -52.132 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.802 -40.061 -51.727 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.379 -41.125 -51.838 1.00 0.00 H new