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= -6.55 K(o=-7.4,f=-17!) USER MOD Set 1.2: A 52 THR OG1 : rot -70:sc= -0.804 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot -120:sc= 0.873 USER MOD Single : A 29 ASN : amide:sc= -0.858 X(o=-0.86,f=-0.85) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0745 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= -1.54! C(o=-1.5!,f=-4.3!) 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 170:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.72! C(o=-2.7!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0928 X(o=-0.093,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.015) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -67:sc= 0.221 USER MOD Single : A 76 CYS SG : rot 38:sc= -1.87! 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= -0.453 F(o=-1.4,f=-0.45) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.3!) USER MOD Single : A 90 LYS NZ :NH3+ -134:sc= -0.195 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.561 1.402 -11.283 1.00 0.00 N ATOM 391 CA ILE A 28 -37.958 2.728 -11.339 1.00 0.00 C ATOM 392 C ILE A 28 -38.235 3.402 -12.678 1.00 0.00 C ATOM 393 O ILE A 28 -38.228 2.754 -13.724 1.00 0.00 O ATOM 394 CB ILE A 28 -36.436 2.665 -11.113 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.118 1.840 -9.864 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.860 4.067 -10.990 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.720 2.406 -8.597 1.00 0.00 C ATOM 0 HA ILE A 28 -38.411 3.314 -10.540 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.975 2.179 -11.973 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.483 0.823 -10.007 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -35.036 1.777 -9.746 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.783 4.005 -10.831 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -36.060 4.624 -11.905 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.323 4.578 -10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.454 1.771 -7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.336 3.412 -8.429 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.805 2.444 -8.695 1.00 0.00 H new ATOM 409 N ASN A 29 -38.476 4.709 -12.639 1.00 0.00 N ATOM 410 CA ASN A 29 -38.753 5.471 -13.851 1.00 0.00 C ATOM 411 C ASN A 29 -38.239 6.902 -13.722 1.00 0.00 C ATOM 412 O ASN A 29 -38.111 7.429 -12.617 1.00 0.00 O ATOM 413 CB ASN A 29 -40.255 5.482 -14.139 1.00 0.00 C ATOM 414 CG ASN A 29 -40.879 4.105 -14.007 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.450 3.768 -12.970 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.771 3.304 -15.060 1.00 0.00 N ATOM 0 H ASN A 29 -38.485 5.262 -11.782 1.00 0.00 H new ATOM 0 HA ASN A 29 -38.234 4.990 -14.680 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.749 6.169 -13.452 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.426 5.861 -15.147 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.171 2.366 -15.030 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -40.289 3.627 -15.899 1.00 0.00 H new ATOM 423 N ILE A 30 -37.947 7.524 -14.859 1.00 0.00 N ATOM 424 CA ILE A 30 -37.449 8.894 -14.874 1.00 0.00 C ATOM 425 C ILE A 30 -38.224 9.751 -15.869 1.00 0.00 C ATOM 426 O ILE A 30 -38.760 9.245 -16.856 1.00 0.00 O ATOM 427 CB ILE A 30 -35.951 8.945 -15.228 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.658 8.042 -16.428 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.109 8.533 -14.030 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.199 8.021 -16.827 1.00 0.00 C ATOM 0 H ILE A 30 -38.047 7.101 -15.782 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.591 9.291 -13.869 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.690 9.969 -15.495 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.977 7.026 -16.194 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.254 8.376 -17.278 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -34.053 8.574 -14.296 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.301 9.213 -13.200 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.369 7.517 -13.735 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -34.066 7.361 -17.684 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.880 9.029 -17.092 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.599 7.658 -15.993 1.00 0.00 H new ATOM 442 N THR A 31 -38.280 11.052 -15.604 1.00 0.00 N ATOM 443 CA THR A 31 -38.989 11.980 -16.476 1.00 0.00 C ATOM 444 C THR A 31 -38.147 13.218 -16.763 1.00 0.00 C ATOM 445 O THR A 31 -37.036 13.358 -16.250 1.00 0.00 O ATOM 446 CB THR A 31 -40.330 12.419 -15.857 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.185 12.590 -14.443 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.417 11.393 -16.140 1.00 0.00 C ATOM 0 H THR A 31 -37.843 11.487 -14.792 1.00 0.00 H new ATOM 0 HA THR A 31 -39.183 11.451 -17.409 1.00 0.00 H new ATOM 0 HB THR A 31 -40.620 13.368 -16.309 1.00 0.00 H new ATOM 0 HG1 THR A 31 -41.041 12.870 -14.058 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.355 11.724 -15.694 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.545 11.287 -17.217 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.131 10.432 -15.712 1.00 0.00 H new ATOM 456 N TYR A 32 -38.681 14.113 -17.586 1.00 0.00 N ATOM 457 CA TYR A 32 -37.977 15.339 -17.943 1.00 0.00 C ATOM 458 C TYR A 32 -37.775 16.228 -16.720 1.00 0.00 C ATOM 459 O TYR A 32 -36.940 17.132 -16.726 1.00 0.00 O ATOM 460 CB TYR A 32 -38.751 16.102 -19.020 1.00 0.00 C ATOM 461 CG TYR A 32 -38.299 15.788 -20.428 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.016 16.111 -20.855 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.153 15.169 -21.331 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.599 15.827 -22.141 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.744 14.880 -22.619 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.467 15.211 -23.019 1.00 0.00 C ATOM 467 OH TYR A 32 -37.054 14.926 -24.300 1.00 0.00 O ATOM 0 H TYR A 32 -39.599 14.013 -18.019 1.00 0.00 H new ATOM 0 HA TYR A 32 -36.998 15.064 -18.335 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.812 15.868 -18.927 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.644 17.172 -18.843 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.334 16.592 -20.170 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.154 14.909 -21.021 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.599 16.086 -22.457 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.421 14.398 -23.308 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.783 14.492 -24.790 1.00 0.00 H new ATOM 477 N ASP A 33 -38.546 15.962 -15.671 1.00 0.00 N ATOM 478 CA ASP A 33 -38.453 16.736 -14.438 1.00 0.00 C ATOM 479 C ASP A 33 -37.987 15.859 -13.280 1.00 0.00 C ATOM 480 O ASP A 33 -38.480 15.981 -12.159 1.00 0.00 O ATOM 481 CB ASP A 33 -39.805 17.368 -14.104 1.00 0.00 C ATOM 482 CG ASP A 33 -40.068 18.629 -14.905 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.268 19.581 -14.793 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.074 18.662 -15.644 1.00 0.00 O ATOM 0 H ASP A 33 -39.242 15.217 -15.650 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.719 17.527 -14.589 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.598 16.646 -14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.840 17.603 -13.040 1.00 0.00 H new ATOM 489 N SER A 34 -37.036 14.973 -13.560 1.00 0.00 N ATOM 490 CA SER A 34 -36.508 14.072 -12.543 1.00 0.00 C ATOM 491 C SER A 34 -35.204 14.612 -11.963 1.00 0.00 C ATOM 492 O SER A 34 -34.621 15.560 -12.491 1.00 0.00 O ATOM 493 CB SER A 34 -36.279 12.680 -13.135 1.00 0.00 C ATOM 494 OG SER A 34 -37.447 11.884 -13.035 1.00 0.00 O ATOM 0 H SER A 34 -36.616 14.860 -14.483 1.00 0.00 H new ATOM 0 HA SER A 34 -37.241 14.001 -11.739 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.985 12.770 -14.181 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.456 12.191 -12.614 1.00 0.00 H new ATOM 0 HG SER A 34 -37.253 11.085 -12.502 1.00 0.00 H new ATOM 500 N THR A 35 -34.751 14.001 -10.873 1.00 0.00 N ATOM 501 CA THR A 35 -33.517 14.419 -10.220 1.00 0.00 C ATOM 502 C THR A 35 -32.338 13.564 -10.672 1.00 0.00 C ATOM 503 O THR A 35 -32.499 12.425 -11.110 1.00 0.00 O ATOM 504 CB THR A 35 -33.637 14.337 -8.686 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.260 13.032 -8.234 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.059 14.644 -8.238 1.00 0.00 C ATOM 0 H THR A 35 -35.220 13.215 -10.424 1.00 0.00 H new ATOM 0 HA THR A 35 -33.343 15.455 -10.509 1.00 0.00 H new ATOM 0 HB THR A 35 -32.967 15.079 -8.251 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.338 12.989 -7.258 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.120 14.580 -7.152 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.332 15.649 -8.558 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.744 13.923 -8.683 1.00 0.00 H new ATOM 514 N PRO A 36 -31.124 14.124 -10.563 1.00 0.00 N ATOM 515 CA PRO A 36 -29.894 13.429 -10.955 1.00 0.00 C ATOM 516 C PRO A 36 -29.555 12.277 -10.015 1.00 0.00 C ATOM 517 O PRO A 36 -28.642 11.497 -10.281 1.00 0.00 O ATOM 518 CB PRO A 36 -28.826 14.522 -10.868 1.00 0.00 C ATOM 519 CG PRO A 36 -29.364 15.500 -9.882 1.00 0.00 C ATOM 520 CD PRO A 36 -30.859 15.478 -10.049 1.00 0.00 C ATOM 0 HA PRO A 36 -29.979 12.975 -11.942 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.869 14.115 -10.540 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.658 14.990 -11.838 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.081 15.225 -8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.966 16.498 -10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.372 15.657 -9.104 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.197 16.246 -10.745 1.00 0.00 H new ATOM 528 N GLU A 37 -30.297 12.178 -8.916 1.00 0.00 N ATOM 529 CA GLU A 37 -30.073 11.120 -7.938 1.00 0.00 C ATOM 530 C GLU A 37 -30.964 9.915 -8.225 1.00 0.00 C ATOM 531 O GLU A 37 -30.636 8.786 -7.860 1.00 0.00 O ATOM 532 CB GLU A 37 -30.339 11.639 -6.523 1.00 0.00 C ATOM 533 CG GLU A 37 -29.347 11.130 -5.491 1.00 0.00 C ATOM 534 CD GLU A 37 -28.466 12.233 -4.935 1.00 0.00 C ATOM 535 OE1 GLU A 37 -27.526 12.654 -5.642 1.00 0.00 O ATOM 536 OE2 GLU A 37 -28.716 12.674 -3.794 1.00 0.00 O ATOM 0 H GLU A 37 -31.057 12.817 -8.681 1.00 0.00 H new ATOM 0 HA GLU A 37 -29.032 10.806 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.312 12.729 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.345 11.348 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.890 10.657 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.719 10.362 -5.943 1.00 0.00 H new ATOM 543 N ASP A 38 -32.091 10.164 -8.881 1.00 0.00 N ATOM 544 CA ASP A 38 -33.030 9.100 -9.219 1.00 0.00 C ATOM 545 C ASP A 38 -32.531 8.294 -10.414 1.00 0.00 C ATOM 546 O ASP A 38 -32.668 7.071 -10.452 1.00 0.00 O ATOM 547 CB ASP A 38 -34.410 9.686 -9.523 1.00 0.00 C ATOM 548 CG ASP A 38 -35.349 9.604 -8.336 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.306 10.514 -7.482 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.126 8.629 -8.260 1.00 0.00 O ATOM 0 H ASP A 38 -32.377 11.093 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 38 -33.109 8.432 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.301 10.728 -9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.849 9.154 -10.367 1.00 0.00 H new ATOM 555 N VAL A 39 -31.953 8.988 -11.389 1.00 0.00 N ATOM 556 CA VAL A 39 -31.433 8.336 -12.586 1.00 0.00 C ATOM 557 C VAL A 39 -30.398 7.276 -12.229 1.00 0.00 C ATOM 558 O VAL A 39 -30.326 6.224 -12.864 1.00 0.00 O ATOM 559 CB VAL A 39 -30.796 9.357 -13.548 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.298 8.664 -14.808 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.788 10.457 -13.891 1.00 0.00 C ATOM 0 H VAL A 39 -31.833 10.001 -11.374 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.280 7.860 -13.081 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.940 9.814 -13.051 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.851 9.400 -15.476 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.551 7.916 -14.541 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.134 8.178 -15.311 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.321 11.169 -14.571 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.665 10.020 -14.369 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.090 10.972 -12.979 1.00 0.00 H new ATOM 571 N LYS A 40 -29.598 7.558 -11.207 1.00 0.00 N ATOM 572 CA LYS A 40 -28.566 6.628 -10.762 1.00 0.00 C ATOM 573 C LYS A 40 -29.160 5.252 -10.479 1.00 0.00 C ATOM 574 O LYS A 40 -28.612 4.230 -10.894 1.00 0.00 O ATOM 575 CB LYS A 40 -27.874 7.164 -9.507 1.00 0.00 C ATOM 576 CG LYS A 40 -26.381 6.890 -9.472 1.00 0.00 C ATOM 577 CD LYS A 40 -25.716 7.572 -8.287 1.00 0.00 C ATOM 578 CE LYS A 40 -24.610 8.515 -8.736 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.433 8.461 -7.826 1.00 0.00 N ATOM 0 H LYS A 40 -29.644 8.424 -10.670 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.831 6.530 -11.561 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -28.039 8.239 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.338 6.717 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.209 5.815 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.924 7.240 -10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.462 8.128 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.303 6.818 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.299 8.255 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.994 9.534 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.701 9.117 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.724 8.734 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -23.050 7.494 -7.810 1.00 0.00 H new ATOM 593 N THR A 41 -30.285 5.231 -9.772 1.00 0.00 N ATOM 594 CA THR A 41 -30.953 3.981 -9.434 1.00 0.00 C ATOM 595 C THR A 41 -31.652 3.385 -10.651 1.00 0.00 C ATOM 596 O THR A 41 -31.707 2.165 -10.811 1.00 0.00 O ATOM 597 CB THR A 41 -31.988 4.182 -8.310 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.340 4.669 -7.130 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.708 2.879 -7.999 1.00 0.00 C ATOM 0 H THR A 41 -30.753 6.067 -9.422 1.00 0.00 H new ATOM 0 HA THR A 41 -30.181 3.294 -9.088 1.00 0.00 H new ATOM 0 HB THR A 41 -32.723 4.913 -8.648 1.00 0.00 H new ATOM 0 HG1 THR A 41 -32.004 4.796 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.434 3.045 -7.203 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.224 2.526 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.983 2.130 -7.679 1.00 0.00 H new ATOM 607 N TRP A 42 -32.183 4.251 -11.506 1.00 0.00 N ATOM 608 CA TRP A 42 -32.878 3.809 -12.709 1.00 0.00 C ATOM 609 C TRP A 42 -31.947 3.005 -13.611 1.00 0.00 C ATOM 610 O TRP A 42 -32.359 2.019 -14.224 1.00 0.00 O ATOM 611 CB TRP A 42 -33.433 5.012 -13.473 1.00 0.00 C ATOM 612 CG TRP A 42 -34.196 4.632 -14.706 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.485 4.183 -14.767 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.717 4.666 -16.055 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.835 3.936 -16.072 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.769 4.225 -16.882 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.503 5.028 -16.645 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.640 4.136 -18.265 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.377 4.939 -18.018 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.440 4.497 -18.816 1.00 0.00 C ATOM 0 H TRP A 42 -32.146 5.264 -11.389 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.705 3.167 -12.406 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.085 5.583 -12.813 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.608 5.668 -13.752 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.133 4.043 -13.915 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.742 3.593 -16.387 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.678 5.371 -16.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.458 3.794 -18.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.443 5.215 -18.484 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.310 4.440 -19.887 1.00 0.00 H new ATOM 631 N LEU A 43 -30.691 3.430 -13.687 1.00 0.00 N ATOM 632 CA LEU A 43 -29.701 2.748 -14.513 1.00 0.00 C ATOM 633 C LEU A 43 -29.287 1.422 -13.885 1.00 0.00 C ATOM 634 O LEU A 43 -29.124 0.419 -14.579 1.00 0.00 O ATOM 635 CB LEU A 43 -28.473 3.638 -14.711 1.00 0.00 C ATOM 636 CG LEU A 43 -28.730 5.009 -15.336 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.828 6.061 -14.709 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.523 4.956 -16.843 1.00 0.00 C ATOM 0 H LEU A 43 -30.334 4.244 -13.187 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.153 2.543 -15.483 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.997 3.787 -13.742 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.759 3.103 -15.338 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.766 5.286 -15.141 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.026 7.030 -15.167 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.026 6.119 -13.639 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.785 5.789 -14.871 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.710 5.941 -17.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.498 4.656 -17.059 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.212 4.234 -17.280 1.00 0.00 H new ATOM 650 N GLN A 44 -29.120 1.425 -12.566 1.00 0.00 N ATOM 651 CA GLN A 44 -28.726 0.221 -11.844 1.00 0.00 C ATOM 652 C GLN A 44 -29.834 -0.827 -11.887 1.00 0.00 C ATOM 653 O GLN A 44 -29.578 -2.006 -12.131 1.00 0.00 O ATOM 654 CB GLN A 44 -28.386 0.560 -10.392 1.00 0.00 C ATOM 655 CG GLN A 44 -27.061 1.289 -10.232 1.00 0.00 C ATOM 656 CD GLN A 44 -25.874 0.346 -10.217 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.821 -0.616 -10.984 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.913 0.618 -9.342 1.00 0.00 N ATOM 0 H GLN A 44 -29.251 2.247 -11.976 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.842 -0.191 -12.331 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.183 1.176 -9.975 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.357 -0.361 -9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.943 2.003 -11.047 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.076 1.863 -9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.998 1.426 -8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.089 0.019 -9.286 1.00 0.00 H new ATOM 667 N SER A 45 -31.066 -0.389 -11.648 1.00 0.00 N ATOM 668 CA SER A 45 -32.213 -1.289 -11.656 1.00 0.00 C ATOM 669 C SER A 45 -32.255 -2.104 -12.945 1.00 0.00 C ATOM 670 O SER A 45 -32.402 -3.326 -12.917 1.00 0.00 O ATOM 671 CB SER A 45 -33.512 -0.497 -11.498 1.00 0.00 C ATOM 672 OG SER A 45 -34.600 -1.176 -12.100 1.00 0.00 O ATOM 0 H SER A 45 -31.295 0.584 -11.446 1.00 0.00 H new ATOM 0 HA SER A 45 -32.110 -1.975 -10.815 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.719 -0.339 -10.440 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.398 0.488 -11.951 1.00 0.00 H new ATOM 0 HG SER A 45 -35.419 -0.650 -11.984 1.00 0.00 H new ATOM 678 N LYS A 46 -32.125 -1.418 -14.076 1.00 0.00 N ATOM 679 CA LYS A 46 -32.146 -2.076 -15.377 1.00 0.00 C ATOM 680 C LYS A 46 -31.024 -3.104 -15.486 1.00 0.00 C ATOM 681 O LYS A 46 -31.116 -4.058 -16.257 1.00 0.00 O ATOM 682 CB LYS A 46 -32.014 -1.041 -16.496 1.00 0.00 C ATOM 683 CG LYS A 46 -33.178 -0.068 -16.566 1.00 0.00 C ATOM 684 CD LYS A 46 -34.472 -0.772 -16.939 1.00 0.00 C ATOM 685 CE LYS A 46 -35.635 0.206 -17.021 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.944 -0.471 -16.808 1.00 0.00 N ATOM 0 H LYS A 46 -32.004 -0.406 -14.118 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.100 -2.594 -15.479 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.091 -0.480 -16.353 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.927 -1.560 -17.451 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.297 0.428 -15.603 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -32.961 0.708 -17.299 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.350 -1.275 -17.898 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.694 -1.542 -16.201 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.505 0.989 -16.274 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.632 0.693 -17.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.711 0.228 -16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.080 -1.201 -17.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -36.957 -0.914 -15.867 1.00 0.00 H new ATOM 700 N GLY A 47 -29.966 -2.903 -14.706 1.00 0.00 N ATOM 701 CA GLY A 47 -28.843 -3.821 -14.730 1.00 0.00 C ATOM 702 C GLY A 47 -27.705 -3.323 -15.599 1.00 0.00 C ATOM 703 O GLY A 47 -27.117 -4.089 -16.363 1.00 0.00 O ATOM 0 H GLY A 47 -29.867 -2.121 -14.058 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.480 -3.973 -13.713 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.178 -4.791 -15.097 1.00 0.00 H new ATOM 707 N PHE A 48 -27.394 -2.037 -15.484 1.00 0.00 N ATOM 708 CA PHE A 48 -26.320 -1.437 -16.267 1.00 0.00 C ATOM 709 C PHE A 48 -25.021 -1.394 -15.468 1.00 0.00 C ATOM 710 O PHE A 48 -25.038 -1.359 -14.238 1.00 0.00 O ATOM 711 CB PHE A 48 -26.709 -0.023 -16.706 1.00 0.00 C ATOM 712 CG PHE A 48 -27.589 0.006 -17.923 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.090 -0.359 -19.164 1.00 0.00 C ATOM 714 CD2 PHE A 48 -28.914 0.397 -17.827 1.00 0.00 C ATOM 715 CE1 PHE A 48 -27.897 -0.332 -20.285 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.726 0.425 -18.945 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.217 0.059 -20.176 1.00 0.00 C ATOM 0 H PHE A 48 -27.870 -1.390 -14.856 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.161 -2.054 -17.151 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.223 0.476 -15.884 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.803 0.548 -16.909 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.059 -0.668 -19.255 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.318 0.683 -16.867 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.496 -0.617 -21.246 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -30.757 0.733 -18.856 1.00 0.00 H new ATOM 0 HZ PHE A 48 -29.850 0.079 -21.051 1.00 0.00 H new ATOM 727 N ASN A 49 -23.897 -1.398 -16.176 1.00 0.00 N ATOM 728 CA ASN A 49 -22.588 -1.361 -15.533 1.00 0.00 C ATOM 729 C ASN A 49 -22.426 -0.091 -14.703 1.00 0.00 C ATOM 730 O ASN A 49 -23.183 0.870 -14.839 1.00 0.00 O ATOM 731 CB ASN A 49 -21.478 -1.442 -16.583 1.00 0.00 C ATOM 732 CG ASN A 49 -20.700 -0.146 -16.703 1.00 0.00 C ATOM 733 OD1 ASN A 49 -19.562 -0.048 -16.246 1.00 0.00 O ATOM 734 ND2 ASN A 49 -21.314 0.857 -17.321 1.00 0.00 N ATOM 0 H ASN A 49 -23.866 -1.426 -17.195 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.513 -2.221 -14.868 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.794 -2.250 -16.323 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.914 -1.692 -17.550 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.841 1.754 -17.432 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -22.259 0.730 -17.684 1.00 0.00 H new ATOM 741 N PRO A 50 -21.415 -0.086 -13.821 1.00 0.00 N ATOM 742 CA PRO A 50 -21.129 1.059 -12.952 1.00 0.00 C ATOM 743 C PRO A 50 -20.588 2.255 -13.728 1.00 0.00 C ATOM 744 O PRO A 50 -20.980 3.396 -13.483 1.00 0.00 O ATOM 745 CB PRO A 50 -20.066 0.519 -11.992 1.00 0.00 C ATOM 746 CG PRO A 50 -19.405 -0.586 -12.742 1.00 0.00 C ATOM 747 CD PRO A 50 -20.474 -1.197 -13.605 1.00 0.00 C ATOM 0 HA PRO A 50 -22.026 1.426 -12.453 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.351 1.294 -11.717 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.515 0.157 -11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.582 -0.208 -13.349 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.985 -1.325 -12.059 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.067 -1.568 -14.546 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -20.955 -2.041 -13.111 1.00 0.00 H new ATOM 755 N VAL A 51 -19.684 1.987 -14.665 1.00 0.00 N ATOM 756 CA VAL A 51 -19.090 3.041 -15.479 1.00 0.00 C ATOM 757 C VAL A 51 -20.161 3.965 -16.048 1.00 0.00 C ATOM 758 O VAL A 51 -19.894 5.127 -16.358 1.00 0.00 O ATOM 759 CB VAL A 51 -18.263 2.456 -16.639 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.675 3.570 -17.491 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.167 1.546 -16.106 1.00 0.00 C ATOM 0 H VAL A 51 -19.347 1.048 -14.879 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.431 3.612 -14.825 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.924 1.860 -17.269 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -17.094 3.137 -18.305 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.481 4.177 -17.903 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -17.028 4.195 -16.876 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.593 1.141 -16.939 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.506 2.116 -15.453 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.615 0.727 -15.543 1.00 0.00 H new ATOM 771 N THR A 52 -21.376 3.442 -16.183 1.00 0.00 N ATOM 772 CA THR A 52 -22.488 4.220 -16.715 1.00 0.00 C ATOM 773 C THR A 52 -23.277 4.888 -15.596 1.00 0.00 C ATOM 774 O THR A 52 -23.727 6.026 -15.733 1.00 0.00 O ATOM 775 CB THR A 52 -23.441 3.340 -17.546 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.743 2.779 -18.663 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.631 4.149 -18.040 1.00 0.00 C ATOM 0 H THR A 52 -21.615 2.483 -15.931 1.00 0.00 H new ATOM 0 HA THR A 52 -22.058 4.987 -17.359 1.00 0.00 H new ATOM 0 HB THR A 52 -23.807 2.536 -16.907 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.537 3.487 -19.309 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.290 3.507 -18.624 1.00 0.00 H new ATOM 0 HG22 THR A 52 -25.178 4.550 -17.187 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.279 4.971 -18.664 1.00 0.00 H new ATOM 785 N VAL A 53 -23.441 4.175 -14.486 1.00 0.00 N ATOM 786 CA VAL A 53 -24.174 4.701 -13.341 1.00 0.00 C ATOM 787 C VAL A 53 -23.394 5.816 -12.653 1.00 0.00 C ATOM 788 O VAL A 53 -23.967 6.638 -11.940 1.00 0.00 O ATOM 789 CB VAL A 53 -24.479 3.594 -12.314 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.247 4.162 -11.129 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.253 2.460 -12.967 1.00 0.00 C ATOM 0 H VAL A 53 -23.076 3.232 -14.356 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.113 5.101 -13.723 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.534 3.193 -11.946 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.454 3.366 -10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -24.651 4.937 -10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.187 4.591 -11.476 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.460 1.687 -12.227 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.193 2.843 -13.364 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.662 2.036 -13.779 1.00 0.00 H new ATOM 801 N ASN A 54 -22.084 5.838 -12.875 1.00 0.00 N ATOM 802 CA ASN A 54 -21.225 6.853 -12.277 1.00 0.00 C ATOM 803 C ASN A 54 -21.084 8.059 -13.200 1.00 0.00 C ATOM 804 O ASN A 54 -20.905 9.187 -12.741 1.00 0.00 O ATOM 805 CB ASN A 54 -19.845 6.267 -11.971 1.00 0.00 C ATOM 806 CG ASN A 54 -19.552 6.223 -10.483 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.218 7.239 -9.875 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.676 5.040 -9.891 1.00 0.00 N ATOM 0 H ASN A 54 -21.594 5.165 -13.464 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.687 7.182 -11.346 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.782 5.259 -12.381 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.081 6.862 -12.471 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.492 4.948 -8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.956 4.224 -10.435 1.00 0.00 H new ATOM 815 N SER A 55 -21.166 7.813 -14.503 1.00 0.00 N ATOM 816 CA SER A 55 -21.045 8.878 -15.492 1.00 0.00 C ATOM 817 C SER A 55 -22.392 9.552 -15.732 1.00 0.00 C ATOM 818 O SER A 55 -22.465 10.764 -15.939 1.00 0.00 O ATOM 819 CB SER A 55 -20.498 8.321 -16.808 1.00 0.00 C ATOM 820 OG SER A 55 -19.627 9.249 -17.432 1.00 0.00 O ATOM 0 H SER A 55 -21.316 6.885 -14.899 1.00 0.00 H new ATOM 0 HA SER A 55 -20.350 9.623 -15.105 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.966 7.389 -16.619 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.325 8.086 -17.478 1.00 0.00 H new ATOM 0 HG SER A 55 -19.167 8.814 -18.180 1.00 0.00 H new ATOM 826 N LEU A 56 -23.457 8.758 -15.703 1.00 0.00 N ATOM 827 CA LEU A 56 -24.804 9.277 -15.918 1.00 0.00 C ATOM 828 C LEU A 56 -25.596 9.291 -14.614 1.00 0.00 C ATOM 829 O LEU A 56 -26.826 9.271 -14.623 1.00 0.00 O ATOM 830 CB LEU A 56 -25.535 8.433 -16.963 1.00 0.00 C ATOM 831 CG LEU A 56 -24.785 8.188 -18.273 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.566 7.236 -19.165 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.523 9.503 -18.992 1.00 0.00 C ATOM 0 H LEU A 56 -23.414 7.753 -15.533 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.719 10.301 -16.281 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.774 7.467 -16.518 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.482 8.919 -17.196 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.825 7.728 -18.039 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.017 7.074 -20.093 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.701 6.284 -18.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.541 7.667 -19.391 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.988 9.309 -19.922 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.472 9.992 -19.214 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.921 10.152 -18.356 1.00 0.00 H new ATOM 845 N GLY A 57 -24.881 9.327 -13.494 1.00 0.00 N ATOM 846 CA GLY A 57 -25.534 9.346 -12.198 1.00 0.00 C ATOM 847 C GLY A 57 -25.512 10.719 -11.557 1.00 0.00 C ATOM 848 O GLY A 57 -25.876 10.875 -10.391 1.00 0.00 O ATOM 0 H GLY A 57 -23.862 9.343 -13.461 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.567 9.018 -12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -25.043 8.632 -11.537 1.00 0.00 H new ATOM 852 N VAL A 58 -25.083 11.720 -12.320 1.00 0.00 N ATOM 853 CA VAL A 58 -25.015 13.088 -11.820 1.00 0.00 C ATOM 854 C VAL A 58 -25.947 14.006 -12.602 1.00 0.00 C ATOM 855 O VAL A 58 -26.295 15.094 -12.141 1.00 0.00 O ATOM 856 CB VAL A 58 -23.580 13.643 -11.899 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.706 13.021 -10.821 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.991 13.400 -13.281 1.00 0.00 C ATOM 0 H VAL A 58 -24.777 11.609 -13.287 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.329 13.060 -10.777 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.615 14.719 -11.728 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.696 13.425 -10.893 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.120 13.251 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.674 11.940 -10.957 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.977 13.798 -13.320 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.968 12.329 -13.484 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.605 13.898 -14.031 1.00 0.00 H new ATOM 868 N LEU A 59 -26.351 13.561 -13.786 1.00 0.00 N ATOM 869 CA LEU A 59 -27.245 14.342 -14.634 1.00 0.00 C ATOM 870 C LEU A 59 -28.704 14.029 -14.319 1.00 0.00 C ATOM 871 O LEU A 59 -29.071 12.873 -14.115 1.00 0.00 O ATOM 872 CB LEU A 59 -26.957 14.060 -16.109 1.00 0.00 C ATOM 873 CG LEU A 59 -25.627 14.589 -16.647 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.494 14.287 -18.132 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.505 16.084 -16.391 1.00 0.00 C ATOM 0 H LEU A 59 -26.074 12.663 -14.181 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.067 15.398 -14.432 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.985 12.981 -16.264 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.763 14.489 -16.704 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.817 14.084 -16.121 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.542 14.671 -18.497 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.535 13.209 -18.289 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.310 14.764 -18.675 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.552 16.443 -16.780 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.321 16.606 -16.890 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.554 16.275 -15.319 1.00 0.00 H new ATOM 887 N ASN A 60 -29.533 15.068 -14.284 1.00 0.00 N ATOM 888 CA ASN A 60 -30.953 14.903 -13.997 1.00 0.00 C ATOM 889 C ASN A 60 -31.680 14.278 -15.184 1.00 0.00 C ATOM 890 O ASN A 60 -31.155 14.240 -16.296 1.00 0.00 O ATOM 891 CB ASN A 60 -31.585 16.254 -13.652 1.00 0.00 C ATOM 892 CG ASN A 60 -31.328 17.301 -14.718 1.00 0.00 C ATOM 893 OD1 ASN A 60 -31.958 17.293 -15.776 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.399 18.209 -14.443 1.00 0.00 N ATOM 0 H ASN A 60 -29.246 16.032 -14.451 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.050 14.234 -13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.660 16.127 -13.523 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.189 16.605 -12.699 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.182 18.939 -15.122 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -29.902 18.177 -13.553 1.00 0.00 H new ATOM 901 N GLY A 61 -32.891 13.789 -14.938 1.00 0.00 N ATOM 902 CA GLY A 61 -33.671 13.172 -15.996 1.00 0.00 C ATOM 903 C GLY A 61 -33.780 14.053 -17.225 1.00 0.00 C ATOM 904 O GLY A 61 -33.748 13.563 -18.353 1.00 0.00 O ATOM 0 H GLY A 61 -33.346 13.809 -14.026 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.214 12.222 -16.273 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.671 12.948 -15.623 1.00 0.00 H new ATOM 908 N ALA A 62 -33.910 15.357 -17.006 1.00 0.00 N ATOM 909 CA ALA A 62 -34.024 16.308 -18.104 1.00 0.00 C ATOM 910 C ALA A 62 -32.789 16.266 -18.998 1.00 0.00 C ATOM 911 O ALA A 62 -32.893 16.055 -20.206 1.00 0.00 O ATOM 912 CB ALA A 62 -34.239 17.715 -17.565 1.00 0.00 C ATOM 0 H ALA A 62 -33.939 15.779 -16.078 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.887 16.026 -18.707 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.322 18.414 -18.397 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.155 17.742 -16.975 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.394 17.997 -16.937 1.00 0.00 H new ATOM 918 N GLN A 63 -31.621 16.467 -18.396 1.00 0.00 N ATOM 919 CA GLN A 63 -30.367 16.453 -19.139 1.00 0.00 C ATOM 920 C GLN A 63 -30.149 15.102 -19.813 1.00 0.00 C ATOM 921 O GLN A 63 -29.836 15.034 -21.002 1.00 0.00 O ATOM 922 CB GLN A 63 -29.194 16.766 -18.207 1.00 0.00 C ATOM 923 CG GLN A 63 -29.269 18.148 -17.579 1.00 0.00 C ATOM 924 CD GLN A 63 -28.283 19.122 -18.193 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.546 19.808 -17.484 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.264 19.189 -19.519 1.00 0.00 N ATOM 0 H GLN A 63 -31.517 16.641 -17.396 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.423 17.220 -19.912 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.160 16.018 -17.415 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.263 16.680 -18.767 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.280 18.540 -17.692 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.076 18.068 -16.509 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.892 18.602 -20.068 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.621 19.827 -19.988 1.00 0.00 H new ATOM 935 N LEU A 64 -30.316 14.030 -19.047 1.00 0.00 N ATOM 936 CA LEU A 64 -30.138 12.680 -19.570 1.00 0.00 C ATOM 937 C LEU A 64 -31.050 12.436 -20.768 1.00 0.00 C ATOM 938 O LEU A 64 -30.663 11.775 -21.732 1.00 0.00 O ATOM 939 CB LEU A 64 -30.422 11.647 -18.478 1.00 0.00 C ATOM 940 CG LEU A 64 -30.394 10.183 -18.917 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.525 9.361 -17.978 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.806 9.616 -18.973 1.00 0.00 C ATOM 0 H LEU A 64 -30.575 14.069 -18.061 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.104 12.577 -19.898 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.691 11.781 -17.680 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.402 11.859 -18.051 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.963 10.131 -19.917 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.517 8.322 -18.306 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.508 9.752 -17.988 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.927 9.419 -16.966 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.767 8.573 -19.287 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.263 9.681 -17.986 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.400 10.188 -19.686 1.00 0.00 H new ATOM 954 N PHE A 65 -32.263 12.975 -20.701 1.00 0.00 N ATOM 955 CA PHE A 65 -33.230 12.816 -21.780 1.00 0.00 C ATOM 956 C PHE A 65 -32.760 13.533 -23.042 1.00 0.00 C ATOM 957 O PHE A 65 -33.184 13.205 -24.150 1.00 0.00 O ATOM 958 CB PHE A 65 -34.597 13.356 -21.353 1.00 0.00 C ATOM 959 CG PHE A 65 -35.442 12.345 -20.632 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.856 11.362 -19.852 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.823 12.378 -20.736 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.631 10.431 -19.187 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.604 11.450 -20.073 1.00 0.00 C ATOM 964 CZ PHE A 65 -37.007 10.474 -19.299 1.00 0.00 C ATOM 0 H PHE A 65 -32.599 13.526 -19.911 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.319 11.752 -21.999 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.451 14.222 -20.708 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.134 13.703 -22.236 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.780 11.323 -19.762 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.295 13.137 -21.342 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.161 9.671 -18.580 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.680 11.488 -20.160 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.615 9.746 -18.782 1.00 0.00 H new ATOM 974 N SER A 66 -31.880 14.514 -22.865 1.00 0.00 N ATOM 975 CA SER A 66 -31.354 15.281 -23.989 1.00 0.00 C ATOM 976 C SER A 66 -30.285 14.488 -24.734 1.00 0.00 C ATOM 977 O SER A 66 -30.108 14.647 -25.943 1.00 0.00 O ATOM 978 CB SER A 66 -30.773 16.608 -23.499 1.00 0.00 C ATOM 979 OG SER A 66 -30.751 17.570 -24.540 1.00 0.00 O ATOM 0 H SER A 66 -31.517 14.796 -21.955 1.00 0.00 H new ATOM 0 HA SER A 66 -32.175 15.484 -24.676 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.367 16.983 -22.665 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.762 16.450 -23.124 1.00 0.00 H new ATOM 0 HG SER A 66 -30.377 18.410 -24.201 1.00 0.00 H new ATOM 985 N LEU A 67 -29.575 13.635 -24.005 1.00 0.00 N ATOM 986 CA LEU A 67 -28.521 12.816 -24.596 1.00 0.00 C ATOM 987 C LEU A 67 -29.111 11.750 -25.514 1.00 0.00 C ATOM 988 O LEU A 67 -29.927 10.933 -25.089 1.00 0.00 O ATOM 989 CB LEU A 67 -27.686 12.155 -23.499 1.00 0.00 C ATOM 990 CG LEU A 67 -27.099 13.094 -22.444 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.200 12.327 -21.487 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.331 14.228 -23.108 1.00 0.00 C ATOM 0 H LEU A 67 -29.709 13.492 -23.004 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.879 13.466 -25.190 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.307 11.416 -22.993 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.866 11.613 -23.971 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.920 13.525 -21.871 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.792 13.012 -20.744 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.779 11.551 -20.986 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.384 11.867 -22.044 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.920 14.886 -22.343 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.518 13.816 -23.706 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -27.004 14.795 -23.751 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.690 11.763 -26.775 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.175 10.796 -27.753 1.00 0.00 C ATOM 1006 C ASN A 68 -28.235 9.598 -27.846 1.00 0.00 C ATOM 1007 O ASN A 68 -27.326 9.444 -27.031 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.316 11.456 -29.126 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.612 12.940 -29.028 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.731 13.341 -28.709 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.606 13.763 -29.302 1.00 0.00 N ATOM 0 H ASN A 68 -28.014 12.432 -27.143 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.153 10.443 -27.425 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.397 11.309 -29.693 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -30.115 10.965 -29.681 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.745 14.772 -29.252 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.695 13.386 -29.562 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.461 8.752 -28.845 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.635 7.568 -29.047 1.00 0.00 C ATOM 1020 C LYS A 69 -26.170 7.952 -29.231 1.00 0.00 C ATOM 1021 O LYS A 69 -25.272 7.141 -29.000 1.00 0.00 O ATOM 1022 CB LYS A 69 -28.123 6.782 -30.266 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.704 5.322 -30.256 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.902 4.676 -31.617 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.416 3.235 -31.626 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.375 2.671 -33.004 1.00 0.00 N ATOM 0 H LYS A 69 -29.210 8.865 -29.528 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.720 6.941 -28.160 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.211 6.839 -30.313 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.740 7.255 -31.170 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.656 5.245 -29.965 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.284 4.781 -29.508 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.958 4.707 -31.885 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.364 5.247 -32.374 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.421 3.185 -31.183 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -28.073 2.627 -31.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.039 1.688 -32.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.329 2.695 -33.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -26.729 3.236 -33.591 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.936 9.192 -29.645 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.579 9.684 -29.857 1.00 0.00 C ATOM 1042 C ASP A 70 -23.995 10.241 -28.562 1.00 0.00 C ATOM 1043 O ASP A 70 -22.958 9.778 -28.089 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.568 10.763 -30.941 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.550 10.481 -32.028 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.379 10.214 -31.688 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.924 10.528 -33.219 1.00 0.00 O ATOM 0 H ASP A 70 -26.668 9.875 -29.841 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.962 8.847 -30.183 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.560 10.836 -31.387 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.351 11.729 -30.486 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.668 11.238 -27.996 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.213 11.858 -26.757 1.00 0.00 C ATOM 1054 C GLU A 71 -23.954 10.805 -25.684 1.00 0.00 C ATOM 1055 O GLU A 71 -22.914 10.816 -25.025 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.248 12.868 -26.257 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.676 13.875 -27.311 1.00 0.00 C ATOM 1058 CD GLU A 71 -26.002 15.234 -26.723 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -25.140 15.797 -26.017 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -27.120 15.733 -26.969 1.00 0.00 O ATOM 0 H GLU A 71 -25.529 11.633 -28.375 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.278 12.378 -26.963 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.127 12.329 -25.903 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.837 13.403 -25.401 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.880 13.984 -28.048 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.550 13.493 -27.839 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.908 9.896 -25.513 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.785 8.835 -24.519 1.00 0.00 C ATOM 1069 C LEU A 72 -23.650 7.881 -24.879 1.00 0.00 C ATOM 1070 O LEU A 72 -23.034 7.275 -24.003 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.099 8.062 -24.405 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.125 8.624 -23.420 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.534 8.478 -23.975 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.006 7.929 -22.071 1.00 0.00 C ATOM 0 H LEU A 72 -25.775 9.872 -26.050 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.557 9.296 -23.558 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.559 8.019 -25.392 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.870 7.037 -24.115 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.921 9.685 -23.279 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.250 8.883 -23.260 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.613 9.022 -24.916 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.750 7.424 -24.147 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.744 8.342 -21.383 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.183 6.861 -22.195 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.006 8.086 -21.668 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.379 7.755 -26.174 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.317 6.876 -26.650 1.00 0.00 C ATOM 1088 C ARG A 73 -20.950 7.533 -26.480 1.00 0.00 C ATOM 1089 O ARG A 73 -19.927 6.852 -26.403 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.544 6.517 -28.120 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.394 5.740 -28.741 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.878 4.826 -29.856 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.883 3.818 -30.208 1.00 0.00 N ATOM 1094 CZ ARG A 73 -21.008 2.989 -31.239 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -22.081 3.050 -32.016 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -20.059 2.099 -31.495 1.00 0.00 N ATOM 0 H ARG A 73 -23.880 8.250 -26.912 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.339 5.964 -26.053 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.457 5.928 -28.205 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.702 7.433 -28.689 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.654 6.436 -29.135 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.897 5.147 -27.973 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.799 4.333 -29.546 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.116 5.423 -30.736 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.045 3.746 -29.631 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.812 3.734 -31.823 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.175 2.413 -32.807 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.232 2.050 -30.900 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.156 1.463 -32.287 1.00 0.00 H new ATOM 1110 N THR A 74 -20.941 8.861 -26.423 1.00 0.00 N ATOM 1111 CA THR A 74 -19.700 9.610 -26.264 1.00 0.00 C ATOM 1112 C THR A 74 -19.269 9.656 -24.803 1.00 0.00 C ATOM 1113 O THR A 74 -18.077 9.704 -24.498 1.00 0.00 O ATOM 1114 CB THR A 74 -19.843 11.050 -26.792 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.226 11.368 -26.981 1.00 0.00 O ATOM 1116 CG2 THR A 74 -19.094 11.222 -28.105 1.00 0.00 C ATOM 0 H THR A 74 -21.778 9.440 -26.485 1.00 0.00 H new ATOM 0 HA THR A 74 -18.939 9.091 -26.847 1.00 0.00 H new ATOM 0 HB THR A 74 -19.413 11.728 -26.055 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.590 10.824 -27.710 1.00 0.00 H new ATOM 0 HG21 THR A 74 -19.210 12.247 -28.458 1.00 0.00 H new ATOM 0 HG22 THR A 74 -18.036 11.008 -27.951 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.499 10.534 -28.848 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.246 9.641 -23.902 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.967 9.680 -22.471 1.00 0.00 C ATOM 1126 C VAL A 75 -19.536 8.311 -21.958 1.00 0.00 C ATOM 1127 O VAL A 75 -18.733 8.209 -21.029 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.196 10.151 -21.672 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.387 9.244 -21.940 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.878 10.202 -20.185 1.00 0.00 C ATOM 0 H VAL A 75 -21.238 9.602 -24.137 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.154 10.392 -22.326 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.456 11.158 -21.999 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.246 9.593 -21.367 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.628 9.264 -23.003 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.142 8.224 -21.643 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.758 10.537 -19.636 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.591 9.209 -19.840 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.056 10.897 -20.012 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.072 7.260 -22.569 1.00 0.00 N ATOM 1141 CA CYS A 76 -19.743 5.895 -22.174 1.00 0.00 C ATOM 1142 C CYS A 76 -20.007 4.920 -23.317 1.00 0.00 C ATOM 1143 O CYS A 76 -20.756 5.207 -24.250 1.00 0.00 O ATOM 1144 CB CYS A 76 -20.555 5.489 -20.943 1.00 0.00 C ATOM 1145 SG CYS A 76 -19.712 5.787 -19.372 1.00 0.00 S ATOM 0 H CYS A 76 -20.736 7.327 -23.340 1.00 0.00 H new ATOM 0 HA CYS A 76 -18.682 5.859 -21.928 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -21.498 6.036 -20.946 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.800 4.430 -21.016 1.00 0.00 H new ATOM 0 HG CYS A 76 -19.037 6.896 -19.445 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.375 3.739 -23.245 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.524 2.698 -24.266 1.00 0.00 C ATOM 1153 C PRO A 77 -20.913 2.067 -24.251 1.00 0.00 C ATOM 1154 O PRO A 77 -21.339 1.462 -25.234 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.464 1.665 -23.877 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.262 1.861 -22.414 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.466 3.329 -22.161 1.00 0.00 C ATOM 0 HA PRO A 77 -19.402 3.095 -25.274 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.799 0.652 -24.098 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.537 1.822 -24.429 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -18.970 1.264 -21.839 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.262 1.548 -22.113 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -18.904 3.511 -21.179 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.525 3.878 -22.197 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.613 2.213 -23.131 1.00 0.00 N ATOM 1166 CA GLU A 78 -22.953 1.657 -22.990 1.00 0.00 C ATOM 1167 C GLU A 78 -24.014 2.701 -23.326 1.00 0.00 C ATOM 1168 O GLU A 78 -25.151 2.618 -22.864 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.167 1.137 -21.567 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.231 0.001 -21.187 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.068 -1.017 -22.299 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -23.086 -1.609 -22.714 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.923 -1.221 -22.754 1.00 0.00 O ATOM 0 H GLU A 78 -21.274 2.712 -22.308 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.049 0.828 -23.691 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.031 1.959 -20.864 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.198 0.797 -21.464 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.255 0.411 -20.929 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.613 -0.497 -20.296 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.632 3.685 -24.134 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.561 4.732 -24.518 1.00 0.00 C ATOM 1182 C GLY A 79 -25.767 4.193 -25.262 1.00 0.00 C ATOM 1183 O GLY A 79 -26.901 4.344 -24.810 1.00 0.00 O ATOM 0 H GLY A 79 -22.696 3.776 -24.529 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.895 5.262 -23.626 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.045 5.459 -25.146 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.521 3.565 -26.407 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.596 3.002 -27.215 1.00 0.00 C ATOM 1189 C ALA A 80 -27.492 2.093 -26.379 1.00 0.00 C ATOM 1190 O ALA A 80 -28.684 1.957 -26.655 1.00 0.00 O ATOM 1191 CB ALA A 80 -26.022 2.237 -28.398 1.00 0.00 C ATOM 0 H ALA A 80 -24.587 3.433 -26.796 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.205 3.825 -27.590 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.836 1.822 -28.993 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.430 2.912 -29.015 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.389 1.428 -28.035 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.910 1.472 -25.359 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.656 0.575 -24.485 1.00 0.00 C ATOM 1199 C ARG A 81 -28.543 1.363 -23.525 1.00 0.00 C ATOM 1200 O ARG A 81 -29.639 0.925 -23.175 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.696 -0.315 -23.693 1.00 0.00 C ATOM 1202 CG ARG A 81 -25.661 -1.016 -24.559 1.00 0.00 C ATOM 1203 CD ARG A 81 -25.820 -2.527 -24.503 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.706 -3.024 -25.552 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.387 -3.029 -26.842 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -25.210 -2.567 -27.239 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -27.247 -3.498 -27.737 1.00 0.00 N ATOM 0 H ARG A 81 -25.924 1.573 -25.117 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.293 -0.052 -25.109 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.183 0.292 -22.947 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.272 -1.065 -23.151 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.758 -0.677 -25.590 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -24.660 -0.742 -24.226 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -24.842 -2.998 -24.601 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -26.215 -2.814 -23.529 1.00 0.00 H new ATOM 0 HE ARG A 81 -27.619 -3.387 -25.280 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -24.546 -2.206 -26.554 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -24.968 -2.572 -28.230 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -28.154 -3.855 -27.435 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -27.002 -3.502 -28.727 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.061 2.528 -23.104 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.810 3.378 -22.186 1.00 0.00 C ATOM 1223 C VAL A 82 -29.919 4.129 -22.913 1.00 0.00 C ATOM 1224 O VAL A 82 -31.064 4.158 -22.461 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.890 4.395 -21.485 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.695 5.294 -20.559 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.789 3.678 -20.720 1.00 0.00 C ATOM 0 H VAL A 82 -27.155 2.905 -23.384 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.251 2.722 -21.436 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.424 5.021 -22.246 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.028 6.006 -20.073 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.444 5.835 -21.138 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.191 4.686 -19.802 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.148 4.412 -20.231 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.234 3.026 -19.968 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.195 3.081 -21.412 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.573 4.736 -24.043 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.539 5.489 -24.833 1.00 0.00 C ATOM 1239 C TYR A 83 -31.766 4.640 -25.148 1.00 0.00 C ATOM 1240 O TYR A 83 -32.901 5.102 -25.031 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.896 5.977 -26.133 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.853 6.715 -27.042 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.274 8.004 -26.742 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.336 6.122 -28.202 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.149 8.681 -27.569 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.210 6.792 -29.037 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.613 8.071 -28.715 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.484 8.743 -29.543 1.00 0.00 O ATOM 0 H TYR A 83 -28.630 4.721 -24.432 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.857 6.351 -24.246 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.059 6.633 -25.891 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.486 5.121 -26.669 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.911 8.486 -25.846 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -31.023 5.120 -28.456 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.468 9.682 -27.319 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.575 6.317 -29.936 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.714 8.174 -30.307 1.00 0.00 H new ATOM 1258 N SER A 84 -31.530 3.395 -25.548 1.00 0.00 N ATOM 1259 CA SER A 84 -32.615 2.480 -25.883 1.00 0.00 C ATOM 1260 C SER A 84 -33.555 2.294 -24.696 1.00 0.00 C ATOM 1261 O SER A 84 -34.717 1.925 -24.863 1.00 0.00 O ATOM 1262 CB SER A 84 -32.052 1.126 -26.320 1.00 0.00 C ATOM 1263 OG SER A 84 -33.055 0.329 -26.927 1.00 0.00 O ATOM 0 H SER A 84 -30.596 2.996 -25.648 1.00 0.00 H new ATOM 0 HA SER A 84 -33.181 2.913 -26.708 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.231 1.279 -27.020 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.641 0.603 -25.456 1.00 0.00 H new ATOM 0 HG SER A 84 -32.670 -0.530 -27.199 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.042 2.553 -23.497 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.835 2.414 -22.281 1.00 0.00 C ATOM 1271 C GLN A 85 -34.527 3.727 -21.929 1.00 0.00 C ATOM 1272 O GLN A 85 -35.534 3.738 -21.222 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.949 1.962 -21.119 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.676 0.467 -21.107 1.00 0.00 C ATOM 1275 CD GLN A 85 -33.946 -0.359 -21.138 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.913 0.010 -20.305 1.00 0.00 O flip ATOM 1277 NE2 GLN A 85 -34.058 -1.319 -21.900 1.00 0.00 N flip ATOM 0 H GLN A 85 -32.082 2.860 -23.342 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.600 1.659 -22.460 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.000 2.496 -21.168 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.425 2.243 -20.180 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.058 0.208 -21.966 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.104 0.213 -20.215 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -33.290 -1.568 -22.524 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -34.919 -1.866 -21.908 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.979 4.830 -22.427 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.544 6.148 -22.165 1.00 0.00 C ATOM 1288 C ILE A 86 -35.606 6.506 -23.199 1.00 0.00 C ATOM 1289 O ILE A 86 -36.576 7.202 -22.896 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.456 7.237 -22.165 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.381 6.915 -21.125 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.072 8.601 -21.892 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.072 7.635 -21.365 1.00 0.00 C ATOM 0 H ILE A 86 -33.145 4.837 -23.014 1.00 0.00 H new ATOM 0 HA ILE A 86 -35.002 6.104 -21.177 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.988 7.261 -23.149 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.754 7.178 -20.135 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.200 5.840 -21.123 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.290 9.361 -21.895 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.804 8.831 -22.666 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.563 8.590 -20.919 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.357 7.359 -20.590 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.676 7.354 -22.341 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.239 8.712 -21.338 1.00 0.00 H new ATOM 1305 N THR A 87 -35.418 6.024 -24.424 1.00 0.00 N ATOM 1306 CA THR A 87 -36.359 6.292 -25.504 1.00 0.00 C ATOM 1307 C THR A 87 -37.777 5.898 -25.108 1.00 0.00 C ATOM 1308 O THR A 87 -38.744 6.566 -25.475 1.00 0.00 O ATOM 1309 CB THR A 87 -35.969 5.538 -26.789 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.911 5.823 -27.830 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.917 4.038 -26.542 1.00 0.00 C ATOM 0 H THR A 87 -34.622 5.446 -24.693 1.00 0.00 H new ATOM 0 HA THR A 87 -36.323 7.364 -25.696 1.00 0.00 H new ATOM 0 HB THR A 87 -34.978 5.874 -27.094 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.655 5.341 -28.644 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.640 3.527 -27.464 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.178 3.822 -25.771 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.896 3.689 -26.214 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.895 4.808 -24.355 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.196 4.326 -23.907 1.00 0.00 C ATOM 1321 C VAL A 88 -39.812 5.275 -22.886 1.00 0.00 C ATOM 1322 O VAL A 88 -41.031 5.326 -22.728 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.090 2.920 -23.287 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.189 2.943 -22.061 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.471 2.388 -22.934 1.00 0.00 C ATOM 0 H VAL A 88 -37.105 4.243 -24.043 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.837 4.279 -24.787 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.645 2.250 -24.023 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.126 1.941 -21.637 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.192 3.279 -22.348 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.602 3.626 -21.319 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.377 1.394 -22.497 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.946 3.057 -22.216 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.081 2.332 -23.836 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.960 6.025 -22.194 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.422 6.973 -21.187 1.00 0.00 C ATOM 1337 C GLN A 89 -39.855 8.285 -21.832 1.00 0.00 C ATOM 1338 O GLN A 89 -40.928 8.811 -21.535 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.318 7.236 -20.160 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.666 5.969 -19.630 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.652 5.055 -18.929 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.675 3.848 -19.169 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.472 5.628 -18.056 1.00 0.00 N ATOM 0 H GLN A 89 -37.947 5.995 -22.312 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.283 6.537 -20.681 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.553 7.866 -20.614 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.737 7.796 -19.324 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -37.202 5.431 -20.456 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.869 6.238 -18.937 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.417 6.633 -17.889 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.156 5.064 -17.553 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.014 8.809 -22.717 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.310 10.060 -23.407 1.00 0.00 C ATOM 1354 C LYS A 90 -40.595 9.943 -24.220 1.00 0.00 C ATOM 1355 O LYS A 90 -41.400 10.872 -24.263 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.147 10.448 -24.323 1.00 0.00 C ATOM 1357 CG LYS A 90 -36.916 10.929 -23.574 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.653 10.735 -24.395 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.620 11.666 -25.597 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.347 11.092 -26.763 1.00 0.00 N ATOM 0 H LYS A 90 -38.122 8.387 -22.974 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.447 10.837 -22.655 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -37.876 9.588 -24.936 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.478 11.233 -25.003 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.030 11.984 -23.324 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -36.826 10.386 -22.633 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -34.779 10.917 -23.769 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.593 9.701 -24.733 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.065 12.624 -25.327 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.585 11.863 -25.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -35.771 11.207 -27.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.525 10.081 -26.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.253 11.587 -26.885 1.00 0.00 H new