USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 493 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 49 ASN : amide:sc= -1.11 K(o=-0.1,f=-4.1!) USER MOD Set 1.2: A 52 THR OG1 : rot 85:sc= 1.13 USER MOD Set 1.3: A 76 CYS SG : rot -14:sc= -0.126 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot -130:sc= 0.906 USER MOD Single : A 29 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.6) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0482 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.71) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.98! C(o=-3!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.46 K(o=-1.5,f=-8.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 74:sc= 0.442 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.983 F(o=-1.5,f=-0.98) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.2!) USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= -0.232 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.399 1.178 -11.471 1.00 0.00 N ATOM 391 CA ILE A 28 -37.864 2.534 -11.475 1.00 0.00 C ATOM 392 C ILE A 28 -38.094 3.212 -12.822 1.00 0.00 C ATOM 393 O ILE A 28 -38.068 2.564 -13.867 1.00 0.00 O ATOM 394 CB ILE A 28 -36.357 2.546 -11.158 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.070 1.712 -9.908 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.867 3.974 -10.972 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.701 2.269 -8.651 1.00 0.00 C ATOM 0 HA ILE A 28 -38.395 3.085 -10.698 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.820 2.104 -11.998 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.433 0.697 -10.068 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.991 1.646 -9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.800 3.966 -10.749 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -36.042 4.541 -11.886 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.407 4.440 -10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.455 1.627 -7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.320 3.273 -8.467 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.783 2.309 -8.774 1.00 0.00 H new ATOM 409 N ASN A 29 -38.319 4.522 -12.788 1.00 0.00 N ATOM 410 CA ASN A 29 -38.552 5.289 -14.006 1.00 0.00 C ATOM 411 C ASN A 29 -38.147 6.748 -13.817 1.00 0.00 C ATOM 412 O ASN A 29 -38.212 7.281 -12.709 1.00 0.00 O ATOM 413 CB ASN A 29 -40.025 5.206 -14.412 1.00 0.00 C ATOM 414 CG ASN A 29 -40.524 3.776 -14.487 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.402 3.117 -15.520 1.00 0.00 O ATOM 416 ND2 ASN A 29 -41.090 3.288 -13.389 1.00 0.00 N ATOM 0 H ASN A 29 -38.345 5.074 -11.931 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.938 4.860 -14.798 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.629 5.761 -13.694 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.160 5.686 -15.381 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.444 2.332 -13.380 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -41.170 3.870 -12.555 1.00 0.00 H new ATOM 423 N ILE A 30 -37.730 7.386 -14.905 1.00 0.00 N ATOM 424 CA ILE A 30 -37.316 8.783 -14.858 1.00 0.00 C ATOM 425 C ILE A 30 -38.121 9.627 -15.841 1.00 0.00 C ATOM 426 O ILE A 30 -38.662 9.114 -16.821 1.00 0.00 O ATOM 427 CB ILE A 30 -35.817 8.937 -15.175 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.442 8.094 -16.396 1.00 0.00 C ATOM 429 CG2 ILE A 30 -34.977 8.537 -13.971 1.00 0.00 C ATOM 430 CD1 ILE A 30 -33.974 8.168 -16.754 1.00 0.00 C ATOM 0 H ILE A 30 -37.670 6.958 -15.829 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.502 9.134 -13.843 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.615 9.984 -15.403 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.709 7.055 -16.206 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.033 8.424 -17.250 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.920 8.651 -14.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.228 9.175 -13.124 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.181 7.497 -13.715 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.781 7.546 -17.628 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.705 9.201 -16.976 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.377 7.810 -15.915 1.00 0.00 H new ATOM 442 N THR A 31 -38.196 10.927 -15.572 1.00 0.00 N ATOM 443 CA THR A 31 -38.934 11.844 -16.432 1.00 0.00 C ATOM 444 C THR A 31 -38.118 13.098 -16.726 1.00 0.00 C ATOM 445 O THR A 31 -37.000 13.253 -16.236 1.00 0.00 O ATOM 446 CB THR A 31 -40.275 12.255 -15.795 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.105 12.467 -14.389 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.334 11.188 -16.028 1.00 0.00 C ATOM 0 H THR A 31 -37.755 11.368 -14.765 1.00 0.00 H new ATOM 0 HA THR A 31 -39.131 11.315 -17.364 1.00 0.00 H new ATOM 0 HB THR A 31 -40.606 13.182 -16.264 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.962 12.729 -13.992 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.272 11.500 -15.569 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.482 11.050 -17.099 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.008 10.248 -15.583 1.00 0.00 H new ATOM 456 N TYR A 32 -38.685 13.991 -17.530 1.00 0.00 N ATOM 457 CA TYR A 32 -38.010 15.232 -17.891 1.00 0.00 C ATOM 458 C TYR A 32 -37.817 16.123 -16.668 1.00 0.00 C ATOM 459 O TYR A 32 -37.001 17.045 -16.680 1.00 0.00 O ATOM 460 CB TYR A 32 -38.808 15.980 -18.960 1.00 0.00 C ATOM 461 CG TYR A 32 -38.334 15.709 -20.370 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.057 16.078 -20.777 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.162 15.086 -21.295 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.620 15.834 -22.064 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.732 14.837 -22.584 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.460 15.213 -22.964 1.00 0.00 C ATOM 467 OH TYR A 32 -37.029 14.967 -24.247 1.00 0.00 O ATOM 0 H TYR A 32 -39.610 13.878 -17.944 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.029 14.978 -18.292 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.859 15.701 -18.879 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.747 17.051 -18.765 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.396 16.564 -20.075 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.159 14.791 -21.002 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.625 16.128 -22.364 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.388 14.351 -23.291 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.742 14.523 -24.752 1.00 0.00 H new ATOM 477 N ASP A 33 -38.574 15.841 -15.613 1.00 0.00 N ATOM 478 CA ASP A 33 -38.486 16.615 -14.380 1.00 0.00 C ATOM 479 C ASP A 33 -38.000 15.744 -13.226 1.00 0.00 C ATOM 480 O ASP A 33 -38.492 15.854 -12.103 1.00 0.00 O ATOM 481 CB ASP A 33 -39.847 17.225 -14.038 1.00 0.00 C ATOM 482 CG ASP A 33 -40.206 18.384 -14.946 1.00 0.00 C ATOM 483 OD1 ASP A 33 -40.160 18.206 -16.181 1.00 0.00 O ATOM 484 OD2 ASP A 33 -40.534 19.469 -14.422 1.00 0.00 O ATOM 0 H ASP A 33 -39.255 15.082 -15.587 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.765 17.418 -14.534 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.616 16.456 -14.114 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.839 17.567 -13.003 1.00 0.00 H new ATOM 489 N SER A 34 -37.032 14.879 -13.510 1.00 0.00 N ATOM 490 CA SER A 34 -36.483 13.986 -12.497 1.00 0.00 C ATOM 491 C SER A 34 -35.187 14.549 -11.922 1.00 0.00 C ATOM 492 O SER A 34 -34.624 15.509 -12.450 1.00 0.00 O ATOM 493 CB SER A 34 -36.230 12.600 -13.092 1.00 0.00 C ATOM 494 OG SER A 34 -37.393 11.794 -13.021 1.00 0.00 O ATOM 0 H SER A 34 -36.612 14.778 -14.434 1.00 0.00 H new ATOM 0 HA SER A 34 -37.211 13.900 -11.690 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.915 12.699 -14.131 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.414 12.114 -12.557 1.00 0.00 H new ATOM 0 HG SER A 34 -37.165 10.925 -12.630 1.00 0.00 H new ATOM 500 N THR A 35 -34.718 13.946 -10.834 1.00 0.00 N ATOM 501 CA THR A 35 -33.490 14.386 -10.185 1.00 0.00 C ATOM 502 C THR A 35 -32.297 13.553 -10.641 1.00 0.00 C ATOM 503 O THR A 35 -32.438 12.410 -11.076 1.00 0.00 O ATOM 504 CB THR A 35 -33.604 14.302 -8.651 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.215 12.999 -8.202 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.025 14.597 -8.197 1.00 0.00 C ATOM 0 H THR A 35 -35.171 13.151 -10.384 1.00 0.00 H new ATOM 0 HA THR A 35 -33.335 15.425 -10.474 1.00 0.00 H new ATOM 0 HB THR A 35 -32.939 15.049 -8.218 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.289 12.954 -7.226 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.081 14.532 -7.110 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.308 15.600 -8.515 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.707 13.871 -8.640 1.00 0.00 H new ATOM 514 N PRO A 36 -31.094 14.136 -10.539 1.00 0.00 N ATOM 515 CA PRO A 36 -29.853 13.464 -10.936 1.00 0.00 C ATOM 516 C PRO A 36 -29.487 12.320 -9.996 1.00 0.00 C ATOM 517 O PRO A 36 -28.559 11.558 -10.264 1.00 0.00 O ATOM 518 CB PRO A 36 -28.805 14.577 -10.856 1.00 0.00 C ATOM 519 CG PRO A 36 -29.357 15.547 -9.868 1.00 0.00 C ATOM 520 CD PRO A 36 -30.851 15.496 -10.029 1.00 0.00 C ATOM 0 HA PRO A 36 -29.935 13.007 -11.922 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.839 14.189 -10.533 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.651 15.046 -11.828 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.064 15.279 -8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.978 16.552 -10.054 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.363 15.667 -9.082 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.206 16.256 -10.725 1.00 0.00 H new ATOM 528 N GLU A 37 -30.223 12.207 -8.894 1.00 0.00 N ATOM 529 CA GLU A 37 -29.974 11.156 -7.915 1.00 0.00 C ATOM 530 C GLU A 37 -30.857 9.941 -8.185 1.00 0.00 C ATOM 531 O GLU A 37 -30.518 8.818 -7.811 1.00 0.00 O ATOM 532 CB GLU A 37 -30.225 11.678 -6.499 1.00 0.00 C ATOM 533 CG GLU A 37 -29.295 11.080 -5.456 1.00 0.00 C ATOM 534 CD GLU A 37 -28.453 12.129 -4.755 1.00 0.00 C ATOM 535 OE1 GLU A 37 -28.987 12.813 -3.857 1.00 0.00 O ATOM 536 OE2 GLU A 37 -27.262 12.266 -5.105 1.00 0.00 O ATOM 0 H GLU A 37 -30.995 12.830 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.931 10.852 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.112 12.762 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.257 11.464 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.885 10.539 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.639 10.353 -5.934 1.00 0.00 H new ATOM 543 N ASP A 38 -31.991 10.175 -8.836 1.00 0.00 N ATOM 544 CA ASP A 38 -32.924 9.100 -9.157 1.00 0.00 C ATOM 545 C ASP A 38 -32.438 8.300 -10.361 1.00 0.00 C ATOM 546 O ASP A 38 -32.605 7.082 -10.419 1.00 0.00 O ATOM 547 CB ASP A 38 -34.315 9.670 -9.436 1.00 0.00 C ATOM 548 CG ASP A 38 -35.226 9.592 -8.226 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.427 8.475 -7.707 1.00 0.00 O ATOM 550 OD2 ASP A 38 -35.738 10.649 -7.799 1.00 0.00 O ATOM 0 H ASP A 38 -32.287 11.099 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.979 8.432 -8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.222 10.709 -9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.768 9.125 -10.264 1.00 0.00 H new ATOM 555 N VAL A 39 -31.836 8.994 -11.322 1.00 0.00 N ATOM 556 CA VAL A 39 -31.325 8.349 -12.526 1.00 0.00 C ATOM 557 C VAL A 39 -30.301 7.273 -12.181 1.00 0.00 C ATOM 558 O VAL A 39 -30.243 6.226 -12.825 1.00 0.00 O ATOM 559 CB VAL A 39 -30.678 9.371 -13.479 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.127 8.675 -14.715 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.681 10.447 -13.866 1.00 0.00 C ATOM 0 H VAL A 39 -31.690 10.003 -11.290 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.178 7.888 -13.024 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.847 9.850 -12.961 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.674 9.413 -15.377 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.375 7.945 -14.416 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -30.937 8.168 -15.239 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.207 11.161 -14.540 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.533 9.987 -14.366 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.022 10.965 -12.970 1.00 0.00 H new ATOM 571 N LYS A 40 -29.494 7.539 -11.159 1.00 0.00 N ATOM 572 CA LYS A 40 -28.472 6.594 -10.725 1.00 0.00 C ATOM 573 C LYS A 40 -29.079 5.220 -10.459 1.00 0.00 C ATOM 574 O LYS A 40 -28.526 4.196 -10.861 1.00 0.00 O ATOM 575 CB LYS A 40 -27.775 7.109 -9.463 1.00 0.00 C ATOM 576 CG LYS A 40 -26.280 6.840 -9.442 1.00 0.00 C ATOM 577 CD LYS A 40 -25.616 7.483 -8.236 1.00 0.00 C ATOM 578 CE LYS A 40 -24.467 8.390 -8.651 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.279 8.218 -7.769 1.00 0.00 N ATOM 0 H LYS A 40 -29.528 8.402 -10.616 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.738 6.498 -11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.944 8.182 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.232 6.643 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.103 5.765 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.827 7.224 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.353 8.060 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.245 6.707 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.188 8.174 -9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.795 9.429 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.518 8.853 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.538 8.448 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.950 7.233 -7.818 1.00 0.00 H new ATOM 593 N THR A 41 -30.221 5.204 -9.779 1.00 0.00 N ATOM 594 CA THR A 41 -30.904 3.957 -9.459 1.00 0.00 C ATOM 595 C THR A 41 -31.603 3.383 -10.687 1.00 0.00 C ATOM 596 O THR A 41 -31.650 2.167 -10.873 1.00 0.00 O ATOM 597 CB THR A 41 -31.941 4.155 -8.338 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.293 4.620 -7.148 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.677 2.856 -8.046 1.00 0.00 C ATOM 0 H THR A 41 -30.693 6.042 -9.439 1.00 0.00 H new ATOM 0 HA THR A 41 -30.141 3.258 -9.118 1.00 0.00 H new ATOM 0 HB THR A 41 -32.666 4.898 -8.671 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.959 4.745 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.404 3.021 -7.251 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.193 2.520 -8.946 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.962 2.095 -7.732 1.00 0.00 H new ATOM 607 N TRP A 42 -32.143 4.264 -11.520 1.00 0.00 N ATOM 608 CA TRP A 42 -32.839 3.843 -12.731 1.00 0.00 C ATOM 609 C TRP A 42 -31.911 3.050 -13.645 1.00 0.00 C ATOM 610 O TRP A 42 -32.348 2.138 -14.348 1.00 0.00 O ATOM 611 CB TRP A 42 -33.391 5.060 -13.475 1.00 0.00 C ATOM 612 CG TRP A 42 -34.129 4.704 -14.730 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.417 4.262 -14.826 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.621 4.759 -16.068 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.741 4.038 -16.143 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.656 4.337 -16.924 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.393 5.126 -16.626 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.499 4.271 -18.306 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.238 5.060 -17.997 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.286 4.636 -18.825 1.00 0.00 C ATOM 0 H TRP A 42 -32.113 5.274 -11.380 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.668 3.198 -12.439 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.059 5.610 -12.812 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.567 5.729 -13.724 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.084 4.111 -13.990 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.643 3.704 -16.483 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.580 5.455 -15.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.305 3.944 -18.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.293 5.340 -18.438 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.134 4.596 -19.893 1.00 0.00 H new ATOM 631 N LEU A 43 -30.630 3.402 -13.630 1.00 0.00 N ATOM 632 CA LEU A 43 -29.640 2.722 -14.458 1.00 0.00 C ATOM 633 C LEU A 43 -29.237 1.387 -13.839 1.00 0.00 C ATOM 634 O LEU A 43 -29.109 0.383 -14.538 1.00 0.00 O ATOM 635 CB LEU A 43 -28.406 3.606 -14.640 1.00 0.00 C ATOM 636 CG LEU A 43 -28.661 5.011 -15.187 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.739 6.020 -14.519 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.477 5.037 -16.698 1.00 0.00 C ATOM 0 H LEU A 43 -30.253 4.154 -13.054 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.088 2.529 -15.433 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.905 3.698 -13.676 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.715 3.096 -15.311 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.691 5.286 -14.961 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.935 7.014 -14.921 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -27.919 6.021 -13.444 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.701 5.749 -14.713 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.662 6.045 -17.070 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.458 4.741 -16.946 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.179 4.344 -17.162 1.00 0.00 H new ATOM 650 N GLN A 44 -29.042 1.386 -12.524 1.00 0.00 N ATOM 651 CA GLN A 44 -28.655 0.174 -11.812 1.00 0.00 C ATOM 652 C GLN A 44 -29.773 -0.863 -11.854 1.00 0.00 C ATOM 653 O GLN A 44 -29.526 -2.047 -12.084 1.00 0.00 O ATOM 654 CB GLN A 44 -28.302 0.501 -10.360 1.00 0.00 C ATOM 655 CG GLN A 44 -27.040 1.336 -10.214 1.00 0.00 C ATOM 656 CD GLN A 44 -26.100 0.792 -9.156 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.933 -0.420 -9.022 1.00 0.00 O ATOM 658 NE2 GLN A 44 -25.479 1.688 -8.398 1.00 0.00 N ATOM 0 H GLN A 44 -29.145 2.210 -11.931 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.778 -0.243 -12.307 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.136 1.035 -9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.178 -0.430 -9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.521 1.373 -11.172 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.314 2.360 -9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -25.647 2.683 -8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.834 1.381 -7.670 1.00 0.00 H new ATOM 667 N SER A 45 -31.002 -0.410 -11.632 1.00 0.00 N ATOM 668 CA SER A 45 -32.158 -1.299 -11.641 1.00 0.00 C ATOM 669 C SER A 45 -32.249 -2.058 -12.961 1.00 0.00 C ATOM 670 O SER A 45 -32.391 -3.281 -12.980 1.00 0.00 O ATOM 671 CB SER A 45 -33.443 -0.502 -11.407 1.00 0.00 C ATOM 672 OG SER A 45 -34.570 -1.191 -11.920 1.00 0.00 O ATOM 0 H SER A 45 -31.223 0.568 -11.444 1.00 0.00 H new ATOM 0 HA SER A 45 -32.036 -2.022 -10.834 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.576 -0.325 -10.340 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.361 0.474 -11.884 1.00 0.00 H new ATOM 0 HG SER A 45 -35.379 -0.662 -11.757 1.00 0.00 H new ATOM 678 N LYS A 46 -32.167 -1.323 -14.065 1.00 0.00 N ATOM 679 CA LYS A 46 -32.238 -1.924 -15.392 1.00 0.00 C ATOM 680 C LYS A 46 -31.123 -2.947 -15.587 1.00 0.00 C ATOM 681 O LYS A 46 -31.246 -3.867 -16.395 1.00 0.00 O ATOM 682 CB LYS A 46 -32.147 -0.842 -16.470 1.00 0.00 C ATOM 683 CG LYS A 46 -33.341 0.097 -16.492 1.00 0.00 C ATOM 684 CD LYS A 46 -34.610 -0.625 -16.913 1.00 0.00 C ATOM 685 CE LYS A 46 -35.640 0.342 -17.475 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.882 -0.359 -17.904 1.00 0.00 N ATOM 0 H LYS A 46 -32.051 -0.310 -14.067 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.196 -2.436 -15.480 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.240 -0.259 -16.312 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -32.053 -1.320 -17.445 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.480 0.533 -15.503 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.145 0.921 -17.179 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.370 -1.379 -17.663 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -35.032 -1.151 -16.057 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.887 1.089 -16.720 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.212 0.875 -18.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.559 0.334 -18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -36.651 -1.054 -18.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.304 -0.847 -17.089 1.00 0.00 H new ATOM 700 N GLY A 47 -30.036 -2.779 -14.840 1.00 0.00 N ATOM 701 CA GLY A 47 -28.915 -3.696 -14.946 1.00 0.00 C ATOM 702 C GLY A 47 -27.816 -3.166 -15.845 1.00 0.00 C ATOM 703 O GLY A 47 -27.343 -3.868 -16.739 1.00 0.00 O ATOM 0 H GLY A 47 -29.911 -2.025 -14.164 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.508 -3.884 -13.952 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.267 -4.652 -15.333 1.00 0.00 H new ATOM 707 N PHE A 48 -27.408 -1.924 -15.609 1.00 0.00 N ATOM 708 CA PHE A 48 -26.359 -1.300 -16.406 1.00 0.00 C ATOM 709 C PHE A 48 -25.049 -1.233 -15.626 1.00 0.00 C ATOM 710 O PHE A 48 -25.049 -1.078 -14.405 1.00 0.00 O ATOM 711 CB PHE A 48 -26.783 0.107 -16.835 1.00 0.00 C ATOM 712 CG PHE A 48 -27.728 0.119 -18.002 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.260 -0.078 -19.291 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.084 0.327 -17.810 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.127 -0.067 -20.367 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.956 0.339 -18.882 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.477 0.141 -20.162 1.00 0.00 C ATOM 0 H PHE A 48 -27.788 -1.330 -14.872 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.201 -1.911 -17.295 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.255 0.609 -15.990 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.894 0.683 -17.092 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.205 -0.242 -19.457 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.464 0.482 -16.811 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.749 -0.221 -21.367 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.011 0.503 -18.719 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.157 0.149 -21.001 1.00 0.00 H new ATOM 727 N ASN A 49 -23.935 -1.351 -16.340 1.00 0.00 N ATOM 728 CA ASN A 49 -22.618 -1.306 -15.715 1.00 0.00 C ATOM 729 C ASN A 49 -22.463 -0.049 -14.864 1.00 0.00 C ATOM 730 O ASN A 49 -23.127 0.965 -15.082 1.00 0.00 O ATOM 731 CB ASN A 49 -21.522 -1.351 -16.782 1.00 0.00 C ATOM 732 CG ASN A 49 -21.452 -0.072 -17.593 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.360 0.758 -17.544 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.371 0.092 -18.347 1.00 0.00 N ATOM 0 H ASN A 49 -23.918 -1.479 -17.352 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.521 -2.177 -15.067 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.559 -1.527 -16.303 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.704 -2.192 -17.451 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.269 0.932 -18.916 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.643 -0.622 -18.357 1.00 0.00 H new ATOM 741 N PRO A 50 -21.565 -0.115 -13.869 1.00 0.00 N ATOM 742 CA PRO A 50 -21.301 1.009 -12.966 1.00 0.00 C ATOM 743 C PRO A 50 -20.587 2.160 -13.666 1.00 0.00 C ATOM 744 O PRO A 50 -20.734 3.321 -13.282 1.00 0.00 O ATOM 745 CB PRO A 50 -20.400 0.396 -11.891 1.00 0.00 C ATOM 746 CG PRO A 50 -19.738 -0.756 -12.564 1.00 0.00 C ATOM 747 CD PRO A 50 -20.739 -1.291 -13.551 1.00 0.00 C ATOM 0 HA PRO A 50 -22.222 1.442 -12.574 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.667 1.118 -11.530 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.980 0.070 -11.027 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.824 -0.441 -13.067 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.456 -1.521 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.252 -1.692 -14.440 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.335 -2.097 -13.122 1.00 0.00 H new ATOM 755 N VAL A 51 -19.813 1.832 -14.696 1.00 0.00 N ATOM 756 CA VAL A 51 -19.077 2.839 -15.451 1.00 0.00 C ATOM 757 C VAL A 51 -20.024 3.850 -16.088 1.00 0.00 C ATOM 758 O VAL A 51 -19.636 4.979 -16.387 1.00 0.00 O ATOM 759 CB VAL A 51 -18.215 2.195 -16.553 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.480 3.263 -17.348 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.235 1.200 -15.949 1.00 0.00 C ATOM 0 H VAL A 51 -19.680 0.876 -15.027 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.426 3.352 -14.743 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.872 1.655 -17.235 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.876 2.789 -18.122 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.203 3.934 -17.812 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.833 3.833 -16.681 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.634 0.754 -16.742 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.582 1.715 -15.244 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.786 0.417 -15.428 1.00 0.00 H new ATOM 771 N THR A 52 -21.271 3.436 -16.293 1.00 0.00 N ATOM 772 CA THR A 52 -22.275 4.305 -16.895 1.00 0.00 C ATOM 773 C THR A 52 -23.058 5.061 -15.828 1.00 0.00 C ATOM 774 O THR A 52 -23.283 6.266 -15.946 1.00 0.00 O ATOM 775 CB THR A 52 -23.260 3.504 -17.767 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.572 2.935 -18.887 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.392 4.393 -18.260 1.00 0.00 C ATOM 0 H THR A 52 -21.609 2.505 -16.051 1.00 0.00 H new ATOM 0 HA THR A 52 -21.741 5.018 -17.523 1.00 0.00 H new ATOM 0 HB THR A 52 -23.684 2.706 -17.158 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.171 2.080 -18.625 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.075 3.806 -18.874 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.932 4.802 -17.406 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.981 5.209 -18.854 1.00 0.00 H new ATOM 785 N VAL A 53 -23.471 4.347 -14.786 1.00 0.00 N ATOM 786 CA VAL A 53 -24.228 4.953 -13.696 1.00 0.00 C ATOM 787 C VAL A 53 -23.412 6.032 -12.994 1.00 0.00 C ATOM 788 O VAL A 53 -23.965 6.912 -12.336 1.00 0.00 O ATOM 789 CB VAL A 53 -24.663 3.898 -12.661 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.576 4.520 -11.616 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.347 2.727 -13.350 1.00 0.00 C ATOM 0 H VAL A 53 -23.295 3.349 -14.673 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.116 5.404 -14.139 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.774 3.523 -12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.873 3.760 -10.894 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.047 5.322 -11.102 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.464 4.924 -12.103 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.648 1.991 -12.604 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.228 3.083 -13.884 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.656 2.266 -14.056 1.00 0.00 H new ATOM 801 N ASN A 54 -22.093 5.958 -13.139 1.00 0.00 N ATOM 802 CA ASN A 54 -21.200 6.929 -12.518 1.00 0.00 C ATOM 803 C ASN A 54 -21.126 8.208 -13.347 1.00 0.00 C ATOM 804 O ASN A 54 -21.146 9.313 -12.805 1.00 0.00 O ATOM 805 CB ASN A 54 -19.801 6.334 -12.353 1.00 0.00 C ATOM 806 CG ASN A 54 -19.375 6.252 -10.899 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.034 7.262 -10.283 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.392 5.045 -10.345 1.00 0.00 N ATOM 0 H ASN A 54 -21.619 5.236 -13.681 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.601 7.177 -11.535 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.779 5.337 -12.792 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.084 6.941 -12.905 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.115 4.927 -9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.682 4.236 -10.894 1.00 0.00 H new ATOM 815 N SER A 55 -21.041 8.049 -14.664 1.00 0.00 N ATOM 816 CA SER A 55 -20.961 9.190 -15.568 1.00 0.00 C ATOM 817 C SER A 55 -22.338 9.813 -15.780 1.00 0.00 C ATOM 818 O SER A 55 -22.456 11.008 -16.054 1.00 0.00 O ATOM 819 CB SER A 55 -20.371 8.761 -16.913 1.00 0.00 C ATOM 820 OG SER A 55 -19.439 9.717 -17.388 1.00 0.00 O ATOM 0 H SER A 55 -21.026 7.141 -15.129 1.00 0.00 H new ATOM 0 HA SER A 55 -20.309 9.937 -15.114 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.882 7.793 -16.807 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.172 8.636 -17.642 1.00 0.00 H new ATOM 0 HG SER A 55 -19.075 9.420 -18.248 1.00 0.00 H new ATOM 826 N LEU A 56 -23.376 8.995 -15.650 1.00 0.00 N ATOM 827 CA LEU A 56 -24.746 9.464 -15.826 1.00 0.00 C ATOM 828 C LEU A 56 -25.499 9.459 -14.500 1.00 0.00 C ATOM 829 O LEU A 56 -26.728 9.416 -14.471 1.00 0.00 O ATOM 830 CB LEU A 56 -25.479 8.589 -16.845 1.00 0.00 C ATOM 831 CG LEU A 56 -24.764 8.368 -18.178 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.519 7.358 -19.028 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.607 9.685 -18.924 1.00 0.00 C ATOM 0 H LEU A 56 -23.295 8.004 -15.423 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.708 10.488 -16.196 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.666 7.616 -16.390 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.451 9.039 -17.047 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.771 7.969 -17.974 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.995 7.214 -19.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.578 6.408 -18.497 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.526 7.728 -19.224 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.096 9.508 -19.870 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.591 10.113 -19.117 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.022 10.378 -18.320 1.00 0.00 H new ATOM 845 N GLY A 57 -24.752 9.505 -13.401 1.00 0.00 N ATOM 846 CA GLY A 57 -25.365 9.507 -12.086 1.00 0.00 C ATOM 847 C GLY A 57 -25.408 10.891 -11.468 1.00 0.00 C ATOM 848 O GLY A 57 -25.802 11.051 -10.312 1.00 0.00 O ATOM 0 H GLY A 57 -23.733 9.541 -13.398 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.379 9.114 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.811 8.836 -11.429 1.00 0.00 H new ATOM 852 N VAL A 58 -25.000 11.894 -12.238 1.00 0.00 N ATOM 853 CA VAL A 58 -24.992 13.271 -11.759 1.00 0.00 C ATOM 854 C VAL A 58 -25.936 14.143 -12.579 1.00 0.00 C ATOM 855 O VAL A 58 -26.299 15.245 -12.164 1.00 0.00 O ATOM 856 CB VAL A 58 -23.576 13.876 -11.812 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.707 13.298 -10.706 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.946 13.638 -13.176 1.00 0.00 C ATOM 0 H VAL A 58 -24.671 11.779 -13.196 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.330 13.248 -10.723 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.653 14.952 -11.656 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.711 13.737 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.152 13.525 -9.737 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.634 12.217 -10.828 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.946 14.072 -13.196 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.880 12.566 -13.364 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.559 14.105 -13.947 1.00 0.00 H new ATOM 868 N LEU A 59 -26.331 13.644 -13.745 1.00 0.00 N ATOM 869 CA LEU A 59 -27.235 14.377 -14.625 1.00 0.00 C ATOM 870 C LEU A 59 -28.690 14.043 -14.311 1.00 0.00 C ATOM 871 O LEU A 59 -29.040 12.882 -14.105 1.00 0.00 O ATOM 872 CB LEU A 59 -26.930 14.052 -16.088 1.00 0.00 C ATOM 873 CG LEU A 59 -25.608 14.594 -16.634 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.455 14.245 -18.106 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.524 16.100 -16.429 1.00 0.00 C ATOM 0 H LEU A 59 -26.040 12.735 -14.103 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.081 15.443 -14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.932 12.969 -16.207 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.741 14.442 -16.703 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.791 14.126 -16.085 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.509 14.639 -18.477 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.469 13.162 -18.227 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.277 14.684 -18.671 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.577 16.469 -16.823 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.348 16.585 -16.952 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.587 16.326 -15.365 1.00 0.00 H new ATOM 887 N ASN A 60 -29.534 15.070 -14.278 1.00 0.00 N ATOM 888 CA ASN A 60 -30.952 14.885 -13.992 1.00 0.00 C ATOM 889 C ASN A 60 -31.670 14.256 -15.182 1.00 0.00 C ATOM 890 O ASN A 60 -31.151 14.242 -16.297 1.00 0.00 O ATOM 891 CB ASN A 60 -31.601 16.225 -13.640 1.00 0.00 C ATOM 892 CG ASN A 60 -31.372 17.276 -14.708 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.016 17.262 -15.757 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.450 18.196 -14.445 1.00 0.00 N ATOM 0 H ASN A 60 -29.260 16.038 -14.446 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.040 14.211 -13.140 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.672 16.081 -13.500 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.200 16.582 -12.691 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.252 18.929 -15.126 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -29.940 18.169 -13.562 1.00 0.00 H new ATOM 901 N GLY A 61 -32.869 13.736 -14.935 1.00 0.00 N ATOM 902 CA GLY A 61 -33.639 13.113 -15.996 1.00 0.00 C ATOM 903 C GLY A 61 -33.772 14.003 -17.216 1.00 0.00 C ATOM 904 O GLY A 61 -33.740 13.524 -18.349 1.00 0.00 O ATOM 0 H GLY A 61 -33.320 13.735 -14.020 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.163 12.176 -16.284 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.632 12.864 -15.622 1.00 0.00 H new ATOM 908 N ALA A 62 -33.923 15.303 -16.984 1.00 0.00 N ATOM 909 CA ALA A 62 -34.060 16.262 -18.073 1.00 0.00 C ATOM 910 C ALA A 62 -32.831 16.247 -18.976 1.00 0.00 C ATOM 911 O ALA A 62 -32.945 16.077 -20.190 1.00 0.00 O ATOM 912 CB ALA A 62 -34.294 17.660 -17.520 1.00 0.00 C ATOM 0 H ALA A 62 -33.954 15.716 -16.052 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.923 15.972 -18.673 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.394 18.365 -18.345 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.206 17.667 -16.923 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.449 17.950 -16.895 1.00 0.00 H new ATOM 918 N GLN A 63 -31.659 16.427 -18.376 1.00 0.00 N ATOM 919 CA GLN A 63 -30.410 16.435 -19.128 1.00 0.00 C ATOM 920 C GLN A 63 -30.189 15.101 -19.832 1.00 0.00 C ATOM 921 O GLN A 63 -29.908 15.058 -21.030 1.00 0.00 O ATOM 922 CB GLN A 63 -29.233 16.736 -18.198 1.00 0.00 C ATOM 923 CG GLN A 63 -29.304 18.110 -17.552 1.00 0.00 C ATOM 924 CD GLN A 63 -28.317 19.090 -18.155 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.538 19.724 -17.442 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.344 19.220 -19.477 1.00 0.00 N ATOM 0 H GLN A 63 -31.548 16.569 -17.372 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.476 17.217 -19.885 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.195 15.978 -17.416 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.305 16.657 -18.763 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.314 18.506 -17.659 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.110 18.015 -16.484 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -29.006 18.675 -20.030 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.703 19.865 -19.939 1.00 0.00 H new ATOM 935 N LEU A 64 -30.317 14.013 -19.080 1.00 0.00 N ATOM 936 CA LEU A 64 -30.131 12.675 -19.632 1.00 0.00 C ATOM 937 C LEU A 64 -31.058 12.443 -20.821 1.00 0.00 C ATOM 938 O LEU A 64 -30.680 11.801 -21.801 1.00 0.00 O ATOM 939 CB LEU A 64 -30.388 11.618 -18.557 1.00 0.00 C ATOM 940 CG LEU A 64 -30.325 10.162 -19.018 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.305 9.386 -18.200 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.697 9.511 -18.919 1.00 0.00 C ATOM 0 H LEU A 64 -30.549 14.031 -18.087 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.100 12.591 -19.976 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.660 11.757 -17.758 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.373 11.799 -18.126 1.00 0.00 H new ATOM 0 HG LEU A 64 -30.011 10.145 -20.062 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.275 8.352 -18.543 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.321 9.838 -18.322 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.588 9.411 -17.148 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.633 8.475 -19.251 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.040 9.540 -17.885 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.403 10.051 -19.550 1.00 0.00 H new ATOM 954 N PHE A 65 -32.274 12.972 -20.729 1.00 0.00 N ATOM 955 CA PHE A 65 -33.255 12.823 -21.797 1.00 0.00 C ATOM 956 C PHE A 65 -32.813 13.575 -23.050 1.00 0.00 C ATOM 957 O PHE A 65 -33.253 13.269 -24.158 1.00 0.00 O ATOM 958 CB PHE A 65 -34.622 13.335 -21.338 1.00 0.00 C ATOM 959 CG PHE A 65 -35.436 12.301 -20.612 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.817 11.312 -19.865 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.820 12.319 -20.678 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.563 10.360 -19.196 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.571 11.370 -20.011 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.941 10.389 -19.270 1.00 0.00 C ATOM 0 H PHE A 65 -32.603 13.508 -19.926 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.334 11.763 -22.039 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.478 14.197 -20.686 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.181 13.682 -22.207 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.739 11.285 -19.805 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.317 13.083 -21.257 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.068 9.595 -18.616 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.649 11.395 -20.069 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.526 9.646 -18.749 1.00 0.00 H new ATOM 974 N SER A 66 -31.941 14.561 -22.864 1.00 0.00 N ATOM 975 CA SER A 66 -31.442 15.360 -23.977 1.00 0.00 C ATOM 976 C SER A 66 -30.380 14.595 -24.761 1.00 0.00 C ATOM 977 O SER A 66 -30.227 14.783 -25.969 1.00 0.00 O ATOM 978 CB SER A 66 -30.864 16.680 -23.466 1.00 0.00 C ATOM 979 OG SER A 66 -30.863 17.665 -24.484 1.00 0.00 O ATOM 0 H SER A 66 -31.566 14.826 -21.953 1.00 0.00 H new ATOM 0 HA SER A 66 -32.278 15.572 -24.644 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.449 17.032 -22.616 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.847 16.521 -23.109 1.00 0.00 H new ATOM 0 HG SER A 66 -30.490 18.500 -24.131 1.00 0.00 H new ATOM 985 N LEU A 67 -29.647 13.733 -24.065 1.00 0.00 N ATOM 986 CA LEU A 67 -28.597 12.939 -24.695 1.00 0.00 C ATOM 987 C LEU A 67 -29.195 11.832 -25.558 1.00 0.00 C ATOM 988 O LEU A 67 -30.153 11.171 -25.160 1.00 0.00 O ATOM 989 CB LEU A 67 -27.682 12.332 -23.630 1.00 0.00 C ATOM 990 CG LEU A 67 -27.091 13.312 -22.616 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.274 12.570 -21.569 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.236 14.356 -23.319 1.00 0.00 C ATOM 0 H LEU A 67 -29.760 13.566 -23.065 1.00 0.00 H new ATOM 0 HA LEU A 67 -28.012 13.598 -25.336 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.244 11.573 -23.086 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.861 11.821 -24.133 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.912 13.822 -22.112 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.861 13.284 -20.856 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.914 11.861 -21.043 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.460 12.032 -22.056 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.824 15.045 -22.582 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.422 13.862 -23.850 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.849 14.910 -24.030 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.622 11.636 -26.740 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.097 10.608 -27.659 1.00 0.00 C ATOM 1006 C ASN A 68 -28.100 9.457 -27.751 1.00 0.00 C ATOM 1007 O ASN A 68 -27.147 9.382 -26.975 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.333 11.205 -29.048 1.00 0.00 C ATOM 1009 CG ASN A 68 -28.037 11.509 -29.775 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -27.635 10.778 -30.680 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -27.377 12.592 -29.380 1.00 0.00 N ATOM 0 H ASN A 68 -27.828 12.175 -27.085 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.039 10.219 -27.273 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -29.926 10.510 -29.643 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.916 12.121 -28.952 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -26.499 12.847 -29.832 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.749 13.169 -28.625 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.325 8.562 -28.707 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.446 7.415 -28.903 1.00 0.00 C ATOM 1020 C LYS A 69 -25.992 7.859 -29.029 1.00 0.00 C ATOM 1021 O LYS A 69 -25.076 7.138 -28.631 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.862 6.635 -30.153 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.422 5.182 -30.138 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.598 4.532 -31.500 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.331 3.036 -31.442 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.737 2.351 -32.701 1.00 0.00 N ATOM 0 H LYS A 69 -29.109 8.609 -29.358 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.536 6.767 -28.031 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -28.947 6.676 -30.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.442 7.124 -31.032 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.376 5.121 -29.837 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.000 4.633 -29.395 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.612 4.708 -31.860 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -26.920 4.996 -32.216 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.270 2.863 -31.260 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.873 2.603 -30.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.539 1.333 -32.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.754 2.494 -32.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.201 2.747 -33.500 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.787 9.048 -29.584 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.445 9.589 -29.760 1.00 0.00 C ATOM 1042 C ASP A 70 -23.913 10.162 -28.449 1.00 0.00 C ATOM 1043 O ASP A 70 -22.886 9.717 -27.939 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.445 10.672 -30.840 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.432 10.398 -31.935 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -23.752 9.620 -32.858 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -22.320 10.962 -31.868 1.00 0.00 O ATOM 0 H ASP A 70 -26.534 9.656 -29.920 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.791 8.775 -30.073 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.440 10.743 -31.279 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.229 11.637 -30.382 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.621 11.151 -27.912 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.218 11.785 -26.662 1.00 0.00 C ATOM 1054 C GLU A 71 -23.968 10.740 -25.578 1.00 0.00 C ATOM 1055 O GLU A 71 -22.959 10.791 -24.872 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.291 12.772 -26.196 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.609 13.852 -27.217 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.980 15.187 -26.868 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.799 15.395 -27.219 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -25.668 16.023 -26.246 1.00 0.00 O ATOM 0 H GLU A 71 -25.475 11.530 -28.322 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.289 12.327 -26.842 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.203 12.222 -25.965 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.961 13.244 -25.271 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.257 13.534 -28.198 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.690 13.972 -27.289 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.892 9.795 -25.451 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.773 8.737 -24.453 1.00 0.00 C ATOM 1069 C LEU A 72 -23.590 7.825 -24.765 1.00 0.00 C ATOM 1070 O LEU A 72 -22.945 7.298 -23.858 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.062 7.917 -24.395 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.164 8.463 -23.486 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.512 8.406 -24.189 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.210 7.688 -22.178 1.00 0.00 C ATOM 0 H LEU A 72 -25.732 9.739 -26.026 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.603 9.204 -23.483 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.461 7.832 -25.406 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.813 6.908 -24.065 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.938 9.505 -23.259 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.284 8.798 -23.527 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.474 9.006 -25.098 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.745 7.373 -24.446 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -28.000 8.091 -21.544 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.411 6.637 -22.385 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.252 7.780 -21.666 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.311 7.646 -26.051 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.205 6.799 -26.482 1.00 0.00 C ATOM 1088 C ARG A 73 -20.864 7.476 -26.212 1.00 0.00 C ATOM 1089 O ARG A 73 -19.841 6.810 -26.048 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.334 6.473 -27.971 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.130 5.741 -28.541 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.539 4.757 -29.626 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.532 3.720 -29.833 1.00 0.00 N ATOM 1094 CZ ARG A 73 -20.580 2.836 -30.823 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -21.581 2.863 -31.693 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -19.626 1.922 -30.946 1.00 0.00 N ATOM 0 H ARG A 73 -23.835 8.076 -26.813 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.246 5.872 -25.910 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.225 5.864 -28.125 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.481 7.400 -28.526 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.424 6.463 -28.951 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.614 5.209 -27.742 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.487 4.292 -29.355 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.703 5.295 -30.560 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.749 3.672 -29.181 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.316 3.564 -31.603 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.615 2.183 -32.452 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.854 1.898 -30.280 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.664 1.244 -31.707 1.00 0.00 H new ATOM 1110 N THR A 74 -20.876 8.804 -26.168 1.00 0.00 N ATOM 1111 CA THR A 74 -19.662 9.572 -25.920 1.00 0.00 C ATOM 1112 C THR A 74 -19.314 9.586 -24.436 1.00 0.00 C ATOM 1113 O THR A 74 -18.145 9.490 -24.062 1.00 0.00 O ATOM 1114 CB THR A 74 -19.804 11.023 -26.417 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.179 11.315 -26.689 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.973 11.249 -27.671 1.00 0.00 C ATOM 0 H THR A 74 -21.714 9.371 -26.301 1.00 0.00 H new ATOM 0 HA THR A 74 -18.860 9.083 -26.473 1.00 0.00 H new ATOM 0 HB THR A 74 -19.440 11.689 -25.635 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.665 11.419 -25.844 1.00 0.00 H new ATOM 0 HG21 THR A 74 -19.089 12.281 -28.003 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.923 11.054 -27.452 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.310 10.574 -28.458 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.336 9.705 -23.594 1.00 0.00 N ATOM 1125 CA VAL A 75 -20.138 9.729 -22.150 1.00 0.00 C ATOM 1126 C VAL A 75 -19.799 8.342 -21.618 1.00 0.00 C ATOM 1127 O VAL A 75 -19.013 8.200 -20.680 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.388 10.255 -21.421 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.592 9.376 -21.722 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -21.137 10.335 -19.923 1.00 0.00 C ATOM 0 H VAL A 75 -21.309 9.786 -23.887 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.303 10.403 -21.957 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.603 11.260 -21.784 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.466 9.764 -21.198 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.783 9.376 -22.795 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.391 8.358 -21.389 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -22.031 10.709 -19.424 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.896 9.343 -19.541 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.304 11.011 -19.729 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.395 7.320 -22.223 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.157 5.942 -21.810 1.00 0.00 C ATOM 1142 C CYS A 76 -20.256 4.993 -23.000 1.00 0.00 C ATOM 1143 O CYS A 76 -20.933 5.269 -23.991 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.158 5.531 -20.729 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.887 5.628 -21.249 1.00 0.00 S ATOM 0 H CYS A 76 -21.047 7.420 -23.001 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.148 5.880 -21.402 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.940 4.510 -20.417 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -21.016 6.168 -19.856 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.970 6.305 -22.356 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.566 3.847 -22.902 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.560 2.834 -23.962 1.00 0.00 C ATOM 1153 C PRO A 77 -20.904 2.127 -24.096 1.00 0.00 C ATOM 1154 O PRO A 77 -21.217 1.565 -25.145 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.480 1.850 -23.505 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.426 2.007 -22.025 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.739 3.452 -21.750 1.00 0.00 C ATOM 0 HA PRO A 77 -19.371 3.271 -24.943 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.732 0.827 -23.786 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.517 2.078 -23.963 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.147 1.352 -21.537 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.442 1.741 -21.640 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.276 3.575 -20.809 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.833 4.053 -21.681 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.694 2.160 -23.027 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.004 1.521 -23.027 1.00 0.00 C ATOM 1167 C GLU A 78 -24.100 2.526 -23.372 1.00 0.00 C ATOM 1168 O GLU A 78 -25.264 2.335 -23.025 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.288 0.889 -21.663 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.214 -0.084 -21.207 1.00 0.00 C ATOM 1171 CD GLU A 78 -21.796 -1.046 -22.302 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.605 -1.927 -22.660 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.658 -0.917 -22.802 1.00 0.00 O ATOM 0 H GLU A 78 -21.450 2.622 -22.151 1.00 0.00 H new ATOM 0 HA GLU A 78 -22.998 0.740 -23.787 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.389 1.680 -20.920 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.244 0.368 -21.706 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.342 0.476 -20.868 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.582 -0.651 -20.352 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.716 3.598 -24.059 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.676 4.618 -24.439 1.00 0.00 C ATOM 1182 C GLY A 79 -25.779 4.074 -25.326 1.00 0.00 C ATOM 1183 O GLY A 79 -26.961 4.297 -25.065 1.00 0.00 O ATOM 0 H GLY A 79 -22.758 3.778 -24.359 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.116 5.051 -23.541 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.159 5.423 -24.960 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.392 3.360 -26.378 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.357 2.783 -27.305 1.00 0.00 C ATOM 1189 C ALA A 80 -27.359 1.896 -26.574 1.00 0.00 C ATOM 1190 O ALA A 80 -28.479 1.691 -27.043 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.639 1.990 -28.388 1.00 0.00 C ATOM 0 H ALA A 80 -24.417 3.168 -26.609 1.00 0.00 H new ATOM 0 HA ALA A 80 -26.908 3.599 -27.772 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.372 1.564 -29.074 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -24.968 2.650 -28.938 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.062 1.187 -27.929 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.949 1.371 -25.424 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.810 0.505 -24.629 1.00 0.00 C ATOM 1199 C ARG A 81 -28.683 1.324 -23.683 1.00 0.00 C ATOM 1200 O ARG A 81 -29.839 0.983 -23.435 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.969 -0.492 -23.829 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.044 -1.337 -24.690 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.717 -2.629 -25.128 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.045 -3.235 -26.274 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.178 -2.795 -27.521 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -26.954 -1.751 -27.780 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -25.534 -3.400 -28.511 1.00 0.00 N ATOM 0 H ARG A 81 -26.025 1.531 -25.022 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.459 -0.043 -25.312 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.373 0.053 -23.097 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.635 -1.151 -23.271 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.741 -0.767 -25.568 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.137 -1.569 -24.132 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.723 -3.334 -24.297 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.757 -2.427 -25.383 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.441 -4.040 -26.108 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -27.450 -1.284 -27.021 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -27.054 -1.415 -28.738 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -24.937 -4.203 -28.315 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -25.636 -3.062 -29.468 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.120 2.408 -23.157 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.846 3.277 -22.239 1.00 0.00 C ATOM 1223 C VAL A 82 -29.917 4.078 -22.971 1.00 0.00 C ATOM 1224 O VAL A 82 -31.060 4.164 -22.520 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.896 4.251 -21.518 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.662 5.102 -20.516 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.772 3.489 -20.833 1.00 0.00 C ATOM 0 H VAL A 82 -27.164 2.705 -23.351 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.321 2.631 -21.501 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.454 4.916 -22.260 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.974 5.784 -20.017 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.428 5.677 -21.037 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.134 4.456 -19.776 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.110 4.193 -20.328 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.193 2.799 -20.102 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.206 2.928 -21.577 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.541 4.662 -24.103 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.468 5.458 -24.898 1.00 0.00 C ATOM 1239 C TYR A 83 -31.735 4.667 -25.211 1.00 0.00 C ATOM 1240 O TYR A 83 -32.846 5.185 -25.104 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.801 5.909 -26.199 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.733 6.647 -27.133 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.174 7.931 -26.836 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.173 6.061 -28.313 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.026 8.608 -27.686 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.024 6.731 -29.170 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.448 8.005 -28.852 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.296 8.677 -29.702 1.00 0.00 O ATOM 0 H TYR A 83 -28.600 4.599 -24.491 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.744 6.337 -24.315 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -28.955 6.553 -25.959 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.401 5.036 -26.714 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.845 8.408 -25.925 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.844 5.064 -28.565 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.360 9.605 -27.439 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.356 6.260 -30.084 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.496 8.113 -30.478 1.00 0.00 H new ATOM 1258 N SER A 84 -31.558 3.407 -25.598 1.00 0.00 N ATOM 1259 CA SER A 84 -32.686 2.544 -25.929 1.00 0.00 C ATOM 1260 C SER A 84 -33.632 2.406 -24.741 1.00 0.00 C ATOM 1261 O SER A 84 -34.811 2.096 -24.907 1.00 0.00 O ATOM 1262 CB SER A 84 -32.188 1.164 -26.363 1.00 0.00 C ATOM 1263 OG SER A 84 -33.261 0.350 -26.803 1.00 0.00 O ATOM 0 H SER A 84 -30.645 2.962 -25.690 1.00 0.00 H new ATOM 0 HA SER A 84 -33.232 3.001 -26.754 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.458 1.273 -27.165 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.678 0.680 -25.531 1.00 0.00 H new ATOM 0 HG SER A 84 -32.916 -0.526 -27.076 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.105 2.637 -23.543 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.902 2.537 -22.326 1.00 0.00 C ATOM 1271 C GLN A 85 -34.539 3.879 -21.981 1.00 0.00 C ATOM 1272 O GLN A 85 -35.538 3.937 -21.263 1.00 0.00 O ATOM 1273 CB GLN A 85 -33.035 2.056 -21.161 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.711 0.572 -21.216 1.00 0.00 C ATOM 1275 CD GLN A 85 -33.947 -0.290 -21.376 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.500 -0.746 -20.258 1.00 0.00 O flip ATOM 1277 NE2 GLN A 85 -34.401 -0.543 -22.492 1.00 0.00 N flip ATOM 0 H GLN A 85 -32.130 2.895 -23.389 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.697 1.812 -22.501 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.104 2.623 -21.154 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.547 2.273 -20.224 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.031 0.383 -22.047 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.188 0.284 -20.304 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -33.944 -0.172 -23.325 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.234 -1.124 -22.584 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.955 4.956 -22.496 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.467 6.297 -22.243 1.00 0.00 C ATOM 1288 C ILE A 86 -35.516 6.690 -23.277 1.00 0.00 C ATOM 1289 O ILE A 86 -36.472 7.403 -22.970 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.336 7.342 -22.253 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.275 6.988 -21.208 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -33.897 8.732 -21.995 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -30.951 7.685 -21.431 1.00 0.00 C ATOM 0 H ILE A 86 -33.127 4.926 -23.091 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.925 6.278 -21.254 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.866 7.337 -23.237 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.651 7.247 -20.218 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.115 5.910 -21.216 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.085 9.460 -22.005 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.619 8.983 -22.772 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.389 8.751 -21.023 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.248 7.387 -20.653 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.553 7.406 -22.407 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.097 8.764 -21.394 1.00 0.00 H new ATOM 1305 N THR A 87 -35.332 6.218 -24.507 1.00 0.00 N ATOM 1306 CA THR A 87 -36.262 6.519 -25.588 1.00 0.00 C ATOM 1307 C THR A 87 -37.682 6.097 -25.225 1.00 0.00 C ATOM 1308 O THR A 87 -38.650 6.768 -25.582 1.00 0.00 O ATOM 1309 CB THR A 87 -35.849 5.818 -26.896 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.780 6.135 -27.937 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.788 4.310 -26.706 1.00 0.00 C ATOM 0 H THR A 87 -34.547 5.626 -24.779 1.00 0.00 H new ATOM 0 HA THR A 87 -36.233 7.598 -25.738 1.00 0.00 H new ATOM 0 HB THR A 87 -34.857 6.174 -27.175 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.509 5.687 -28.765 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.494 3.837 -27.643 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.057 4.070 -25.934 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.769 3.941 -26.405 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.798 4.981 -24.512 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.100 4.470 -24.099 1.00 0.00 C ATOM 1321 C VAL A 88 -39.721 5.354 -23.023 1.00 0.00 C ATOM 1322 O VAL A 88 -40.941 5.390 -22.864 1.00 0.00 O ATOM 1323 CB VAL A 88 -38.994 3.029 -23.566 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.013 2.959 -22.406 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.364 2.514 -23.149 1.00 0.00 C ATOM 0 H VAL A 88 -37.007 4.414 -24.208 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.738 4.476 -24.983 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.619 2.391 -24.366 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -37.952 1.933 -22.043 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.028 3.285 -22.742 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.355 3.609 -21.601 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.271 1.494 -22.775 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.770 3.153 -22.365 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.034 2.525 -24.009 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.873 6.066 -22.288 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.339 6.950 -21.227 1.00 0.00 C ATOM 1337 C GLN A 89 -39.934 8.230 -21.806 1.00 0.00 C ATOM 1338 O GLN A 89 -41.033 8.640 -21.433 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.189 7.293 -20.277 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.506 6.071 -19.685 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.492 5.056 -19.143 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.401 3.864 -19.441 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.443 5.523 -18.341 1.00 0.00 N ATOM 0 H GLN A 89 -37.860 6.048 -22.408 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.118 6.428 -20.671 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.450 7.888 -20.814 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.571 7.914 -19.467 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.888 5.599 -20.449 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.837 6.386 -18.884 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.481 6.518 -18.121 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.135 4.886 -17.946 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.200 8.857 -22.719 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.655 10.089 -23.351 1.00 0.00 C ATOM 1354 C LYS A 90 -40.955 9.862 -24.116 1.00 0.00 C ATOM 1355 O LYS A 90 -41.888 10.658 -24.023 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.580 10.627 -24.300 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.335 11.125 -23.587 1.00 0.00 C ATOM 1358 CD LYS A 90 -36.082 10.864 -24.407 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.981 11.814 -25.590 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.813 11.360 -26.738 1.00 0.00 N ATOM 0 H LYS A 90 -38.287 8.532 -23.038 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.840 10.823 -22.566 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.298 9.840 -25.000 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -39.002 11.441 -24.889 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.428 12.194 -23.393 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.247 10.632 -22.619 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.202 10.975 -23.774 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -36.089 9.835 -24.765 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.298 12.811 -25.283 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.940 11.893 -25.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.394 11.702 -27.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.851 10.321 -26.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.776 11.740 -26.640 1.00 0.00 H new