USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 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= -1.1 K(o=0.0058,f=-4.1!) USER MOD Set 1.2: A 52 THR OG1 : rot 105:sc= 1.19 USER MOD Set 1.3: A 76 CYS SG : rot -8:sc= -0.0817 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= 0.988 USER MOD Set 3.1: A 29 ASN : amide:sc= -2.16 X(o=-4.9,f=-4.4) USER MOD Set 3.2: A 89 GLN : amide:sc= -2.71! C(o=-4.9!,f=-6.4!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0776 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= -0.158 K(o=-0.16,f=-1.4!) 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=-0.00764 USER MOD Single : A 60 ASN : amide:sc= -2.82! C(o=-2.8!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0955 X(o=-0.095,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0859 X(o=-0.086,f=-0.019) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 66:sc= 0.748 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 99:sc= 1.25 USER MOD Single : A 85 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.45) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= -0.233 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.418 1.327 -11.293 1.00 0.00 N ATOM 391 CA ILE A 28 -37.800 2.647 -11.336 1.00 0.00 C ATOM 392 C ILE A 28 -38.039 3.322 -12.682 1.00 0.00 C ATOM 393 O ILE A 28 -38.021 2.672 -13.726 1.00 0.00 O ATOM 394 CB ILE A 28 -36.285 2.567 -11.076 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.004 1.744 -9.816 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.695 3.963 -10.945 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.607 2.335 -8.562 1.00 0.00 C ATOM 0 HA ILE A 28 -38.265 3.239 -10.548 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.812 2.072 -11.924 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.393 0.736 -9.956 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.926 1.654 -9.683 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.623 3.889 -10.761 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.868 4.519 -11.866 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.171 4.482 -10.113 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.368 1.700 -7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.199 3.332 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.689 2.400 -8.674 1.00 0.00 H new ATOM 409 N ASN A 29 -38.261 4.633 -12.649 1.00 0.00 N ATOM 410 CA ASN A 29 -38.501 5.398 -13.867 1.00 0.00 C ATOM 411 C ASN A 29 -38.093 6.856 -13.682 1.00 0.00 C ATOM 412 O ASN A 29 -38.062 7.366 -12.562 1.00 0.00 O ATOM 413 CB ASN A 29 -39.977 5.316 -14.262 1.00 0.00 C ATOM 414 CG ASN A 29 -40.479 3.887 -14.331 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.439 3.254 -15.386 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.954 3.371 -13.203 1.00 0.00 N ATOM 0 H ASN A 29 -38.280 5.187 -11.793 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.894 4.967 -14.663 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.575 5.874 -13.541 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.118 5.795 -15.231 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.305 2.413 -13.188 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -40.968 3.932 -12.352 1.00 0.00 H new ATOM 423 N ILE A 30 -37.780 7.522 -14.789 1.00 0.00 N ATOM 424 CA ILE A 30 -37.375 8.921 -14.750 1.00 0.00 C ATOM 425 C ILE A 30 -38.179 9.754 -15.742 1.00 0.00 C ATOM 426 O ILE A 30 -38.735 9.227 -16.707 1.00 0.00 O ATOM 427 CB ILE A 30 -35.875 9.082 -15.059 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.486 8.227 -16.266 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.041 8.704 -13.844 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.016 8.305 -16.614 1.00 0.00 C ATOM 0 H ILE A 30 -37.799 7.114 -15.724 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.569 9.277 -13.738 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.678 10.127 -15.300 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.749 7.188 -16.065 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.072 8.543 -17.129 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.983 8.823 -14.078 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.303 9.352 -13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.239 7.666 -13.575 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.813 7.674 -17.479 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.751 9.336 -16.847 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.423 7.961 -15.767 1.00 0.00 H new ATOM 442 N THR A 31 -38.236 11.061 -15.501 1.00 0.00 N ATOM 443 CA THR A 31 -38.972 11.968 -16.373 1.00 0.00 C ATOM 444 C THR A 31 -38.145 13.206 -16.701 1.00 0.00 C ATOM 445 O THR A 31 -37.015 13.352 -16.233 1.00 0.00 O ATOM 446 CB THR A 31 -40.302 12.407 -15.733 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.111 12.672 -14.339 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.368 11.336 -15.910 1.00 0.00 C ATOM 0 H THR A 31 -37.781 11.515 -14.709 1.00 0.00 H new ATOM 0 HA THR A 31 -39.183 11.421 -17.292 1.00 0.00 H new ATOM 0 HB THR A 31 -40.637 13.316 -16.232 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.961 12.952 -13.940 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.298 11.669 -15.450 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.532 11.158 -16.973 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.038 10.412 -15.434 1.00 0.00 H new ATOM 456 N TYR A 32 -38.714 14.095 -17.507 1.00 0.00 N ATOM 457 CA TYR A 32 -38.028 15.321 -17.898 1.00 0.00 C ATOM 458 C TYR A 32 -37.804 16.228 -16.693 1.00 0.00 C ATOM 459 O TYR A 32 -36.978 17.140 -16.734 1.00 0.00 O ATOM 460 CB TYR A 32 -38.835 16.062 -18.966 1.00 0.00 C ATOM 461 CG TYR A 32 -38.440 15.703 -20.381 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.187 16.037 -20.880 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.321 15.030 -21.219 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.823 15.712 -22.172 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.965 14.700 -22.512 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.715 15.043 -22.984 1.00 0.00 C ATOM 467 OH TYR A 32 -37.357 14.716 -24.272 1.00 0.00 O ATOM 0 H TYR A 32 -39.648 13.990 -17.902 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.056 15.049 -18.310 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.894 15.843 -18.827 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.710 17.135 -18.824 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.486 16.560 -20.247 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.301 14.760 -20.853 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.845 15.980 -22.544 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.661 14.176 -23.150 1.00 0.00 H new ATOM 0 HH TYR A 32 -38.098 14.247 -24.708 1.00 0.00 H new ATOM 477 N ASP A 33 -38.544 15.971 -15.621 1.00 0.00 N ATOM 478 CA ASP A 33 -38.426 16.762 -14.401 1.00 0.00 C ATOM 479 C ASP A 33 -37.943 15.900 -13.239 1.00 0.00 C ATOM 480 O ASP A 33 -38.422 16.035 -12.113 1.00 0.00 O ATOM 481 CB ASP A 33 -39.770 17.404 -14.053 1.00 0.00 C ATOM 482 CG ASP A 33 -40.176 18.474 -15.047 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.361 19.384 -15.306 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.309 18.400 -15.567 1.00 0.00 O ATOM 0 H ASP A 33 -39.233 15.220 -15.571 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.691 17.548 -14.576 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.540 16.633 -14.019 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.713 17.841 -13.056 1.00 0.00 H new ATOM 489 N SER A 34 -36.993 15.015 -13.520 1.00 0.00 N ATOM 490 CA SER A 34 -36.448 14.128 -12.499 1.00 0.00 C ATOM 491 C SER A 34 -35.129 14.670 -11.956 1.00 0.00 C ATOM 492 O SER A 34 -34.552 15.604 -12.512 1.00 0.00 O ATOM 493 CB SER A 34 -36.239 12.724 -13.072 1.00 0.00 C ATOM 494 OG SER A 34 -37.440 11.974 -13.035 1.00 0.00 O ATOM 0 H SER A 34 -36.584 14.893 -14.447 1.00 0.00 H new ATOM 0 HA SER A 34 -37.164 14.075 -11.679 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.884 12.797 -14.100 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.466 12.207 -12.503 1.00 0.00 H new ATOM 0 HG SER A 34 -37.308 11.171 -12.489 1.00 0.00 H new ATOM 500 N THR A 35 -34.657 14.075 -10.865 1.00 0.00 N ATOM 501 CA THR A 35 -33.408 14.497 -10.244 1.00 0.00 C ATOM 502 C THR A 35 -32.240 13.641 -10.721 1.00 0.00 C ATOM 503 O THR A 35 -32.410 12.498 -11.145 1.00 0.00 O ATOM 504 CB THR A 35 -33.490 14.423 -8.708 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.140 13.108 -8.262 1.00 0.00 O ATOM 506 CG2 THR A 35 -34.889 14.772 -8.223 1.00 0.00 C ATOM 0 H THR A 35 -35.121 13.299 -10.393 1.00 0.00 H new ATOM 0 HA THR A 35 -33.242 15.532 -10.542 1.00 0.00 H new ATOM 0 HB THR A 35 -32.788 15.146 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.193 13.069 -7.284 1.00 0.00 H new ATOM 0 HG21 THR A 35 -34.922 14.713 -7.135 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.142 15.784 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.607 14.070 -8.647 1.00 0.00 H new ATOM 514 N PRO A 36 -31.025 14.205 -10.651 1.00 0.00 N ATOM 515 CA PRO A 36 -29.805 13.509 -11.071 1.00 0.00 C ATOM 516 C PRO A 36 -29.436 12.366 -10.131 1.00 0.00 C ATOM 517 O PRO A 36 -28.528 11.586 -10.415 1.00 0.00 O ATOM 518 CB PRO A 36 -28.737 14.605 -11.024 1.00 0.00 C ATOM 519 CG PRO A 36 -29.250 15.591 -10.031 1.00 0.00 C ATOM 520 CD PRO A 36 -30.749 15.564 -10.157 1.00 0.00 C ATOM 0 HA PRO A 36 -29.918 13.046 -12.051 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.770 14.203 -10.720 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.598 15.064 -12.003 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -28.938 15.326 -9.021 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.859 16.588 -10.233 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.236 15.750 -9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.108 16.324 -10.851 1.00 0.00 H new ATOM 528 N GLU A 37 -30.148 12.273 -9.012 1.00 0.00 N ATOM 529 CA GLU A 37 -29.895 11.225 -8.031 1.00 0.00 C ATOM 530 C GLU A 37 -30.819 10.032 -8.258 1.00 0.00 C ATOM 531 O GLU A 37 -30.499 8.904 -7.883 1.00 0.00 O ATOM 532 CB GLU A 37 -30.082 11.767 -6.613 1.00 0.00 C ATOM 533 CG GLU A 37 -28.791 12.240 -5.967 1.00 0.00 C ATOM 534 CD GLU A 37 -28.665 11.798 -4.522 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.331 12.404 -3.656 1.00 0.00 O ATOM 536 OE2 GLU A 37 -27.901 10.846 -4.256 1.00 0.00 O ATOM 0 H GLU A 37 -30.904 12.911 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.864 10.892 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.790 12.596 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -30.526 10.989 -5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -27.943 11.857 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.742 13.328 -6.016 1.00 0.00 H new ATOM 543 N ASP A 38 -31.968 10.290 -8.874 1.00 0.00 N ATOM 544 CA ASP A 38 -32.940 9.239 -9.152 1.00 0.00 C ATOM 545 C ASP A 38 -32.556 8.463 -10.408 1.00 0.00 C ATOM 546 O ASP A 38 -32.880 7.283 -10.544 1.00 0.00 O ATOM 547 CB ASP A 38 -34.338 9.838 -9.315 1.00 0.00 C ATOM 548 CG ASP A 38 -35.143 9.785 -8.031 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.763 10.479 -7.065 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.152 9.050 -7.993 1.00 0.00 O ATOM 0 H ASP A 38 -32.249 11.218 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.945 8.550 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.251 10.874 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.872 9.300 -10.098 1.00 0.00 H new ATOM 555 N VAL A 39 -31.865 9.133 -11.324 1.00 0.00 N ATOM 556 CA VAL A 39 -31.437 8.506 -12.569 1.00 0.00 C ATOM 557 C VAL A 39 -30.389 7.430 -12.311 1.00 0.00 C ATOM 558 O VAL A 39 -30.354 6.405 -12.992 1.00 0.00 O ATOM 559 CB VAL A 39 -30.860 9.544 -13.551 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.370 8.864 -14.820 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.900 10.607 -13.873 1.00 0.00 C ATOM 0 H VAL A 39 -31.589 10.110 -11.228 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.321 8.049 -13.013 1.00 0.00 H new ATOM 0 HB VAL A 39 -30.008 10.033 -13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.966 9.613 -15.501 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.591 8.144 -14.569 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.201 8.347 -15.300 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.476 11.332 -14.568 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.772 10.137 -14.327 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.198 11.115 -12.955 1.00 0.00 H new ATOM 571 N LYS A 40 -29.535 7.669 -11.321 1.00 0.00 N ATOM 572 CA LYS A 40 -28.485 6.720 -10.970 1.00 0.00 C ATOM 573 C LYS A 40 -29.077 5.356 -10.630 1.00 0.00 C ATOM 574 O LYS A 40 -28.546 4.320 -11.031 1.00 0.00 O ATOM 575 CB LYS A 40 -27.671 7.245 -9.785 1.00 0.00 C ATOM 576 CG LYS A 40 -26.169 7.179 -10.002 1.00 0.00 C ATOM 577 CD LYS A 40 -25.443 8.246 -9.200 1.00 0.00 C ATOM 578 CE LYS A 40 -25.095 7.753 -7.804 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.635 7.858 -7.526 1.00 0.00 N ATOM 0 H LYS A 40 -29.550 8.512 -10.747 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.828 6.606 -11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.956 8.279 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -27.927 6.669 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -25.802 6.194 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.948 7.305 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.532 8.538 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.068 9.136 -9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.648 8.334 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.412 6.716 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.439 7.512 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.108 7.284 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -23.337 8.851 -7.604 1.00 0.00 H new ATOM 593 N THR A 41 -30.180 5.362 -9.888 1.00 0.00 N ATOM 594 CA THR A 41 -30.844 4.126 -9.495 1.00 0.00 C ATOM 595 C THR A 41 -31.609 3.516 -10.664 1.00 0.00 C ATOM 596 O THR A 41 -31.774 2.299 -10.743 1.00 0.00 O ATOM 597 CB THR A 41 -31.818 4.359 -8.325 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.107 4.862 -7.188 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.534 3.070 -7.951 1.00 0.00 C ATOM 0 H THR A 41 -30.632 6.210 -9.547 1.00 0.00 H new ATOM 0 HA THR A 41 -30.063 3.436 -9.176 1.00 0.00 H new ATOM 0 HB THR A 41 -32.562 5.090 -8.641 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.734 5.009 -6.449 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.216 3.260 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.098 2.705 -8.809 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.801 2.320 -7.653 1.00 0.00 H new ATOM 607 N TRP A 42 -32.073 4.369 -11.570 1.00 0.00 N ATOM 608 CA TRP A 42 -32.821 3.913 -12.737 1.00 0.00 C ATOM 609 C TRP A 42 -31.935 3.087 -13.662 1.00 0.00 C ATOM 610 O TRP A 42 -32.396 2.134 -14.292 1.00 0.00 O ATOM 611 CB TRP A 42 -33.398 5.108 -13.497 1.00 0.00 C ATOM 612 CG TRP A 42 -34.127 4.721 -14.748 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.400 4.236 -14.838 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.623 4.783 -16.087 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.719 3.994 -16.153 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.646 4.322 -16.939 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.409 5.186 -16.649 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.489 4.252 -18.320 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.254 5.115 -18.021 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.290 4.652 -18.844 1.00 0.00 C ATOM 0 H TRP A 42 -31.945 5.380 -11.520 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.640 3.283 -12.390 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.079 5.652 -12.842 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.589 5.791 -13.753 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.059 4.067 -13.999 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.610 3.629 -16.489 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.606 5.546 -16.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.286 3.895 -18.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.319 5.421 -18.466 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.139 4.610 -19.913 1.00 0.00 H new ATOM 631 N LEU A 43 -30.661 3.456 -13.740 1.00 0.00 N ATOM 632 CA LEU A 43 -29.709 2.748 -14.589 1.00 0.00 C ATOM 633 C LEU A 43 -29.302 1.419 -13.960 1.00 0.00 C ATOM 634 O LEU A 43 -29.211 0.400 -14.644 1.00 0.00 O ATOM 635 CB LEU A 43 -28.470 3.611 -14.831 1.00 0.00 C ATOM 636 CG LEU A 43 -28.727 5.012 -15.389 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.828 6.031 -14.706 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.512 5.034 -16.895 1.00 0.00 C ATOM 0 H LEU A 43 -30.263 4.242 -13.225 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.194 2.544 -15.544 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.931 3.710 -13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.812 3.082 -15.521 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.764 5.279 -15.186 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.025 7.022 -15.115 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.030 6.034 -13.635 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.784 5.768 -14.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.699 6.038 -17.275 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.485 4.747 -17.120 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.198 4.333 -17.371 1.00 0.00 H new ATOM 650 N GLN A 44 -29.061 1.439 -12.653 1.00 0.00 N ATOM 651 CA GLN A 44 -28.665 0.235 -11.932 1.00 0.00 C ATOM 652 C GLN A 44 -29.771 -0.815 -11.976 1.00 0.00 C ATOM 653 O GLN A 44 -29.515 -1.990 -12.236 1.00 0.00 O ATOM 654 CB GLN A 44 -28.326 0.573 -10.479 1.00 0.00 C ATOM 655 CG GLN A 44 -26.966 1.233 -10.310 1.00 0.00 C ATOM 656 CD GLN A 44 -25.907 0.267 -9.818 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.086 -0.950 -9.872 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.794 0.806 -9.333 1.00 0.00 N ATOM 0 H GLN A 44 -29.133 2.275 -12.072 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.780 -0.174 -12.419 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.094 1.235 -10.080 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.353 -0.341 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.651 1.657 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.053 2.061 -9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.688 1.820 -9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.046 0.206 -8.986 1.00 0.00 H new ATOM 667 N SER A 45 -31.002 -0.382 -11.720 1.00 0.00 N ATOM 668 CA SER A 45 -32.146 -1.285 -11.727 1.00 0.00 C ATOM 669 C SER A 45 -32.198 -2.087 -13.023 1.00 0.00 C ATOM 670 O SER A 45 -32.339 -3.310 -13.006 1.00 0.00 O ATOM 671 CB SER A 45 -33.446 -0.497 -11.549 1.00 0.00 C ATOM 672 OG SER A 45 -34.557 -1.230 -12.036 1.00 0.00 O ATOM 0 H SER A 45 -31.232 0.588 -11.505 1.00 0.00 H new ATOM 0 HA SER A 45 -32.033 -1.980 -10.895 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.593 -0.265 -10.494 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.374 0.454 -12.077 1.00 0.00 H new ATOM 0 HG SER A 45 -35.375 -0.706 -11.910 1.00 0.00 H new ATOM 678 N LYS A 46 -32.083 -1.389 -14.148 1.00 0.00 N ATOM 679 CA LYS A 46 -32.114 -2.034 -15.456 1.00 0.00 C ATOM 680 C LYS A 46 -31.001 -3.070 -15.579 1.00 0.00 C ATOM 681 O LYS A 46 -31.142 -4.065 -16.289 1.00 0.00 O ATOM 682 CB LYS A 46 -31.978 -0.989 -16.566 1.00 0.00 C ATOM 683 CG LYS A 46 -33.126 0.004 -16.611 1.00 0.00 C ATOM 684 CD LYS A 46 -34.436 -0.675 -16.973 1.00 0.00 C ATOM 685 CE LYS A 46 -35.592 0.314 -16.980 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.871 -0.325 -16.562 1.00 0.00 N ATOM 0 H LYS A 46 -31.967 -0.376 -14.180 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.072 -2.543 -15.560 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.043 -0.445 -16.429 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.912 -1.499 -17.527 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.224 0.493 -15.642 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -32.906 0.784 -17.340 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.347 -1.140 -17.955 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.643 -1.473 -16.260 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.364 1.143 -16.310 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.705 0.733 -17.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.634 0.381 -16.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.102 -1.100 -17.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -36.772 -0.703 -15.598 1.00 0.00 H new ATOM 700 N GLY A 47 -29.895 -2.830 -14.881 1.00 0.00 N ATOM 701 CA GLY A 47 -28.776 -3.752 -14.925 1.00 0.00 C ATOM 702 C GLY A 47 -27.612 -3.212 -15.732 1.00 0.00 C ATOM 703 O GLY A 47 -26.820 -3.979 -16.282 1.00 0.00 O ATOM 0 H GLY A 47 -29.754 -2.013 -14.286 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.443 -3.963 -13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.105 -4.698 -15.356 1.00 0.00 H new ATOM 707 N PHE A 48 -27.508 -1.890 -15.807 1.00 0.00 N ATOM 708 CA PHE A 48 -26.434 -1.248 -16.556 1.00 0.00 C ATOM 709 C PHE A 48 -25.145 -1.217 -15.740 1.00 0.00 C ATOM 710 O PHE A 48 -25.174 -1.071 -14.519 1.00 0.00 O ATOM 711 CB PHE A 48 -26.836 0.175 -16.948 1.00 0.00 C ATOM 712 CG PHE A 48 -27.785 0.230 -18.111 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.334 0.001 -19.401 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.128 0.511 -17.915 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.205 0.053 -20.474 1.00 0.00 C ATOM 716 CE2 PHE A 48 -30.003 0.563 -18.983 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.541 0.332 -20.264 1.00 0.00 C ATOM 0 H PHE A 48 -28.155 -1.241 -15.358 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.258 -1.831 -17.460 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.297 0.663 -16.090 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.939 0.743 -17.194 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.291 -0.221 -19.570 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.495 0.691 -16.915 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.841 -0.124 -21.475 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.047 0.784 -18.816 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.224 0.370 -21.100 1.00 0.00 H new ATOM 727 N ASN A 49 -24.014 -1.357 -16.425 1.00 0.00 N ATOM 728 CA ASN A 49 -22.714 -1.346 -15.764 1.00 0.00 C ATOM 729 C ASN A 49 -22.564 -0.113 -14.879 1.00 0.00 C ATOM 730 O ASN A 49 -23.208 0.915 -15.089 1.00 0.00 O ATOM 731 CB ASN A 49 -21.591 -1.383 -16.803 1.00 0.00 C ATOM 732 CG ASN A 49 -21.490 -0.091 -17.591 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.386 0.751 -17.541 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.394 0.070 -18.323 1.00 0.00 N ATOM 0 H ASN A 49 -23.972 -1.479 -17.437 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.646 -2.233 -15.134 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.642 -1.575 -16.302 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.762 -2.212 -17.490 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.269 0.919 -18.874 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.677 -0.655 -18.334 1.00 0.00 H new ATOM 741 N PRO A 50 -21.692 -0.215 -13.865 1.00 0.00 N ATOM 742 CA PRO A 50 -21.435 0.883 -12.928 1.00 0.00 C ATOM 743 C PRO A 50 -20.688 2.040 -13.583 1.00 0.00 C ATOM 744 O PRO A 50 -20.805 3.189 -13.155 1.00 0.00 O ATOM 745 CB PRO A 50 -20.569 0.231 -11.847 1.00 0.00 C ATOM 746 CG PRO A 50 -19.906 -0.914 -12.532 1.00 0.00 C ATOM 747 CD PRO A 50 -20.889 -1.410 -13.555 1.00 0.00 C ATOM 0 HA PRO A 50 -22.359 1.320 -12.548 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.836 0.933 -11.450 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -21.174 -0.107 -11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.976 -0.600 -13.005 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.653 -1.700 -11.821 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.386 -1.797 -14.441 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.506 -2.217 -13.161 1.00 0.00 H new ATOM 755 N VAL A 51 -19.921 1.731 -14.623 1.00 0.00 N ATOM 756 CA VAL A 51 -19.156 2.746 -15.338 1.00 0.00 C ATOM 757 C VAL A 51 -20.077 3.776 -15.981 1.00 0.00 C ATOM 758 O VAL A 51 -19.669 4.906 -16.255 1.00 0.00 O ATOM 759 CB VAL A 51 -18.268 2.116 -16.427 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.509 3.194 -17.187 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.308 1.108 -15.815 1.00 0.00 C ATOM 0 H VAL A 51 -19.813 0.785 -14.990 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.521 3.240 -14.603 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.909 1.589 -17.134 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.887 2.730 -17.952 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.218 3.874 -17.659 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.878 3.751 -16.495 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.689 0.673 -16.599 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.671 1.608 -15.085 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.875 0.319 -15.321 1.00 0.00 H new ATOM 771 N THR A 52 -21.324 3.381 -16.219 1.00 0.00 N ATOM 772 CA THR A 52 -22.304 4.269 -16.831 1.00 0.00 C ATOM 773 C THR A 52 -23.115 5.005 -15.771 1.00 0.00 C ATOM 774 O THR A 52 -23.355 6.208 -15.883 1.00 0.00 O ATOM 775 CB THR A 52 -23.266 3.495 -17.752 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.546 2.949 -18.863 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.377 4.402 -18.258 1.00 0.00 C ATOM 0 H THR A 52 -21.679 2.451 -15.997 1.00 0.00 H new ATOM 0 HA THR A 52 -21.747 4.993 -17.426 1.00 0.00 H new ATOM 0 HB THR A 52 -23.714 2.685 -17.176 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.428 1.985 -18.735 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.044 3.834 -18.906 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.941 4.794 -17.411 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.944 5.230 -18.819 1.00 0.00 H new ATOM 785 N VAL A 53 -23.536 4.277 -14.742 1.00 0.00 N ATOM 786 CA VAL A 53 -24.319 4.861 -13.661 1.00 0.00 C ATOM 787 C VAL A 53 -23.525 5.934 -12.924 1.00 0.00 C ATOM 788 O VAL A 53 -24.097 6.809 -12.275 1.00 0.00 O ATOM 789 CB VAL A 53 -24.772 3.789 -12.652 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.626 4.411 -11.557 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.527 2.676 -13.361 1.00 0.00 C ATOM 0 H VAL A 53 -23.347 3.280 -14.635 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.199 5.314 -14.118 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.886 3.357 -12.186 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.936 3.638 -10.854 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.047 5.169 -11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.508 4.872 -12.001 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.840 1.927 -12.633 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.406 3.090 -13.856 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.878 2.211 -14.103 1.00 0.00 H new ATOM 801 N ASN A 54 -22.202 5.859 -13.029 1.00 0.00 N ATOM 802 CA ASN A 54 -21.327 6.824 -12.373 1.00 0.00 C ATOM 803 C ASN A 54 -21.198 8.096 -13.206 1.00 0.00 C ATOM 804 O ASN A 54 -21.188 9.204 -12.669 1.00 0.00 O ATOM 805 CB ASN A 54 -19.945 6.213 -12.137 1.00 0.00 C ATOM 806 CG ASN A 54 -19.573 6.173 -10.667 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.131 7.173 -10.100 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.751 5.015 -10.043 1.00 0.00 N ATOM 0 H ASN A 54 -21.713 5.140 -13.562 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.771 7.084 -11.412 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.924 5.201 -12.542 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.198 6.790 -12.682 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.519 4.928 -9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.120 4.212 -10.553 1.00 0.00 H new ATOM 815 N SER A 55 -21.099 7.928 -14.521 1.00 0.00 N ATOM 816 CA SER A 55 -20.967 9.062 -15.428 1.00 0.00 C ATOM 817 C SER A 55 -22.310 9.758 -15.627 1.00 0.00 C ATOM 818 O SER A 55 -22.398 10.986 -15.592 1.00 0.00 O ATOM 819 CB SER A 55 -20.415 8.600 -16.778 1.00 0.00 C ATOM 820 OG SER A 55 -19.410 9.482 -17.247 1.00 0.00 O ATOM 0 H SER A 55 -21.108 7.018 -14.982 1.00 0.00 H new ATOM 0 HA SER A 55 -20.271 9.773 -14.982 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.005 7.595 -16.682 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.224 8.546 -17.506 1.00 0.00 H new ATOM 0 HG SER A 55 -18.962 9.085 -18.023 1.00 0.00 H new ATOM 826 N LEU A 56 -23.355 8.965 -15.835 1.00 0.00 N ATOM 827 CA LEU A 56 -24.696 9.503 -16.039 1.00 0.00 C ATOM 828 C LEU A 56 -25.470 9.549 -14.726 1.00 0.00 C ATOM 829 O LEU A 56 -26.699 9.611 -14.720 1.00 0.00 O ATOM 830 CB LEU A 56 -25.455 8.658 -17.063 1.00 0.00 C ATOM 831 CG LEU A 56 -24.720 8.368 -18.372 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.502 7.372 -19.215 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.484 9.656 -19.148 1.00 0.00 C ATOM 0 H LEU A 56 -23.300 7.947 -15.867 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.599 10.521 -16.417 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.716 7.707 -16.598 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.391 9.164 -17.300 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.752 7.929 -18.132 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.963 7.178 -20.142 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.619 6.440 -18.662 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.485 7.783 -19.446 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.960 9.430 -20.077 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.442 10.124 -19.376 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.881 10.337 -18.547 1.00 0.00 H new ATOM 845 N GLY A 57 -24.742 9.520 -13.614 1.00 0.00 N ATOM 846 CA GLY A 57 -25.377 9.561 -12.310 1.00 0.00 C ATOM 847 C GLY A 57 -25.357 10.948 -11.699 1.00 0.00 C ATOM 848 O GLY A 57 -25.696 11.123 -10.528 1.00 0.00 O ATOM 0 H GLY A 57 -23.723 9.469 -13.593 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.409 9.222 -12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.871 8.865 -11.641 1.00 0.00 H new ATOM 852 N VAL A 58 -24.956 11.937 -12.491 1.00 0.00 N ATOM 853 CA VAL A 58 -24.892 13.315 -12.021 1.00 0.00 C ATOM 854 C VAL A 58 -25.846 14.209 -12.807 1.00 0.00 C ATOM 855 O VAL A 58 -26.157 15.324 -12.387 1.00 0.00 O ATOM 856 CB VAL A 58 -23.464 13.881 -12.136 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.549 13.234 -11.108 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.924 13.682 -13.544 1.00 0.00 C ATOM 0 H VAL A 58 -24.670 11.809 -13.462 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.188 13.306 -10.972 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.498 14.951 -11.933 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.545 13.646 -11.204 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.929 13.434 -10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.517 12.157 -11.276 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.914 14.088 -13.607 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.903 12.618 -13.778 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.567 14.198 -14.257 1.00 0.00 H new ATOM 868 N LEU A 59 -26.307 13.712 -13.949 1.00 0.00 N ATOM 869 CA LEU A 59 -27.227 14.465 -14.795 1.00 0.00 C ATOM 870 C LEU A 59 -28.676 14.136 -14.450 1.00 0.00 C ATOM 871 O LEU A 59 -29.024 12.977 -14.231 1.00 0.00 O ATOM 872 CB LEU A 59 -26.960 14.161 -16.270 1.00 0.00 C ATOM 873 CG LEU A 59 -25.640 14.686 -16.835 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.517 14.342 -18.311 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.531 16.190 -16.625 1.00 0.00 C ATOM 0 H LEU A 59 -26.059 12.791 -14.311 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.062 15.527 -14.614 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.987 13.080 -16.408 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.776 14.578 -16.860 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.821 14.204 -16.301 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.571 14.724 -18.696 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.550 13.260 -18.436 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.342 14.796 -18.860 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.585 16.547 -17.033 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.357 16.689 -17.132 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.573 16.412 -15.559 1.00 0.00 H new ATOM 887 N ASN A 60 -29.517 15.165 -14.407 1.00 0.00 N ATOM 888 CA ASN A 60 -30.929 14.985 -14.091 1.00 0.00 C ATOM 889 C ASN A 60 -31.669 14.336 -15.257 1.00 0.00 C ATOM 890 O ASN A 60 -31.165 14.292 -16.378 1.00 0.00 O ATOM 891 CB ASN A 60 -31.572 16.331 -13.750 1.00 0.00 C ATOM 892 CG ASN A 60 -31.344 17.371 -14.829 1.00 0.00 C ATOM 893 OD1 ASN A 60 -31.999 17.354 -15.872 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.410 18.283 -14.584 1.00 0.00 N ATOM 0 H ASN A 60 -29.245 16.131 -14.587 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.001 14.326 -13.226 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.643 16.192 -13.604 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.166 16.696 -12.806 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.211 19.007 -15.274 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -29.892 18.259 -13.706 1.00 0.00 H new ATOM 901 N GLY A 61 -32.869 13.833 -14.983 1.00 0.00 N ATOM 902 CA GLY A 61 -33.659 13.194 -16.018 1.00 0.00 C ATOM 903 C GLY A 61 -33.799 14.057 -17.257 1.00 0.00 C ATOM 904 O GLY A 61 -33.783 13.551 -18.379 1.00 0.00 O ATOM 0 H GLY A 61 -33.308 13.857 -14.062 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.196 12.245 -16.290 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.649 12.964 -15.625 1.00 0.00 H new ATOM 908 N ALA A 62 -33.939 15.363 -17.053 1.00 0.00 N ATOM 909 CA ALA A 62 -34.082 16.298 -18.162 1.00 0.00 C ATOM 910 C ALA A 62 -32.865 16.252 -19.079 1.00 0.00 C ATOM 911 O ALA A 62 -32.991 16.025 -20.282 1.00 0.00 O ATOM 912 CB ALA A 62 -34.297 17.710 -17.638 1.00 0.00 C ATOM 0 H ALA A 62 -33.956 15.797 -16.130 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.955 16.002 -18.744 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.402 18.397 -18.477 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.201 17.739 -17.030 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.442 18.007 -17.031 1.00 0.00 H new ATOM 918 N GLN A 63 -31.687 16.470 -18.503 1.00 0.00 N ATOM 919 CA GLN A 63 -30.447 16.454 -19.271 1.00 0.00 C ATOM 920 C GLN A 63 -30.240 15.102 -19.944 1.00 0.00 C ATOM 921 O GLN A 63 -29.969 15.029 -21.143 1.00 0.00 O ATOM 922 CB GLN A 63 -29.257 16.773 -18.364 1.00 0.00 C ATOM 923 CG GLN A 63 -29.308 18.167 -17.760 1.00 0.00 C ATOM 924 CD GLN A 63 -28.317 19.117 -18.402 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.572 19.815 -17.713 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.301 19.150 -19.730 1.00 0.00 N ATOM 0 H GLN A 63 -31.565 16.660 -17.508 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.520 17.217 -20.046 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.217 16.039 -17.559 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.336 16.668 -18.937 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.315 18.570 -17.869 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.105 18.103 -16.691 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.935 18.555 -20.263 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.654 19.770 -20.217 1.00 0.00 H new ATOM 935 N LEU A 64 -30.370 14.033 -19.166 1.00 0.00 N ATOM 936 CA LEU A 64 -30.198 12.682 -19.687 1.00 0.00 C ATOM 937 C LEU A 64 -31.142 12.424 -20.857 1.00 0.00 C ATOM 938 O LEU A 64 -30.778 11.762 -21.829 1.00 0.00 O ATOM 939 CB LEU A 64 -30.443 11.652 -18.583 1.00 0.00 C ATOM 940 CG LEU A 64 -30.393 10.185 -19.010 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.371 9.422 -18.181 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.769 9.546 -18.883 1.00 0.00 C ATOM 0 H LEU A 64 -30.594 14.076 -18.172 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.172 12.586 -20.044 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.702 11.807 -17.799 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.420 11.848 -18.141 1.00 0.00 H new ATOM 0 HG LEU A 64 -30.088 10.141 -20.056 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.350 8.380 -18.499 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.385 9.865 -18.322 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.645 9.474 -17.127 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.715 8.502 -19.191 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.102 9.602 -17.847 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.477 10.076 -19.520 1.00 0.00 H new ATOM 954 N PHE A 65 -32.357 12.954 -20.758 1.00 0.00 N ATOM 955 CA PHE A 65 -33.354 12.783 -21.808 1.00 0.00 C ATOM 956 C PHE A 65 -32.929 13.505 -23.084 1.00 0.00 C ATOM 957 O PHE A 65 -33.386 13.174 -24.178 1.00 0.00 O ATOM 958 CB PHE A 65 -34.713 13.308 -21.340 1.00 0.00 C ATOM 959 CG PHE A 65 -35.519 12.291 -20.583 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.892 11.313 -19.828 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.904 12.315 -20.626 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.632 10.377 -19.131 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.649 11.381 -19.930 1.00 0.00 C ATOM 964 CZ PHE A 65 -37.012 10.411 -19.181 1.00 0.00 C ATOM 0 H PHE A 65 -32.675 13.506 -19.961 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.439 11.718 -22.025 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.558 14.182 -20.707 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.284 13.640 -22.207 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.813 11.282 -19.784 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.407 13.072 -21.210 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.131 9.619 -18.547 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.728 11.410 -19.972 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.592 9.681 -18.636 1.00 0.00 H new ATOM 974 N SER A 66 -32.053 14.493 -22.934 1.00 0.00 N ATOM 975 CA SER A 66 -31.569 15.265 -24.073 1.00 0.00 C ATOM 976 C SER A 66 -30.437 14.531 -24.785 1.00 0.00 C ATOM 977 O SER A 66 -30.225 14.708 -25.986 1.00 0.00 O ATOM 978 CB SER A 66 -31.090 16.643 -23.615 1.00 0.00 C ATOM 979 OG SER A 66 -31.449 17.645 -24.550 1.00 0.00 O ATOM 0 H SER A 66 -31.664 14.778 -22.035 1.00 0.00 H new ATOM 0 HA SER A 66 -32.395 15.390 -24.773 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.523 16.877 -22.642 1.00 0.00 H new ATOM 0 HB3 SER A 66 -30.008 16.631 -23.488 1.00 0.00 H new ATOM 0 HG SER A 66 -31.133 18.517 -24.233 1.00 0.00 H new ATOM 985 N LEU A 67 -29.713 13.706 -24.037 1.00 0.00 N ATOM 986 CA LEU A 67 -28.601 12.944 -24.596 1.00 0.00 C ATOM 987 C LEU A 67 -29.102 11.890 -25.578 1.00 0.00 C ATOM 988 O LEU A 67 -29.945 11.061 -25.238 1.00 0.00 O ATOM 989 CB LEU A 67 -27.802 12.275 -23.476 1.00 0.00 C ATOM 990 CG LEU A 67 -27.241 13.207 -22.402 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.508 12.411 -21.334 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.318 14.244 -23.025 1.00 0.00 C ATOM 0 H LEU A 67 -29.875 13.547 -23.043 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.953 13.636 -25.134 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.442 11.538 -22.991 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.972 11.730 -23.925 1.00 0.00 H new ATOM 0 HG LEU A 67 -28.074 13.728 -21.930 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.116 13.091 -20.578 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.198 11.708 -20.867 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.684 11.862 -21.790 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.928 14.899 -22.246 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.490 13.741 -23.524 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.874 14.836 -23.752 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.577 11.929 -26.798 1.00 0.00 N ATOM 1005 CA ASN A 68 -28.970 10.976 -27.830 1.00 0.00 C ATOM 1006 C ASN A 68 -28.055 9.755 -27.821 1.00 0.00 C ATOM 1007 O ASN A 68 -27.198 9.614 -26.948 1.00 0.00 O ATOM 1008 CB ASN A 68 -28.937 11.642 -29.207 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.219 13.130 -29.137 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.375 13.552 -29.090 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.162 13.933 -29.130 1.00 0.00 N ATOM 0 H ASN A 68 -27.879 12.610 -27.096 1.00 0.00 H new ATOM 0 HA ASN A 68 -29.987 10.647 -27.617 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -27.960 11.481 -29.662 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.672 11.166 -29.855 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.290 14.944 -29.084 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.222 13.539 -29.170 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.241 8.875 -28.799 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.432 7.667 -28.906 1.00 0.00 C ATOM 1020 C LYS A 69 -25.957 8.014 -29.080 1.00 0.00 C ATOM 1021 O LYS A 69 -25.080 7.196 -28.799 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.908 6.813 -30.084 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.417 5.377 -30.031 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.698 4.643 -31.331 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.244 3.193 -31.263 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.343 2.518 -32.586 1.00 0.00 N ATOM 0 H LYS A 69 -28.946 8.976 -29.529 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.547 7.099 -27.983 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -28.998 6.815 -30.107 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.569 7.270 -31.014 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.346 5.365 -29.830 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -27.902 4.856 -29.206 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.766 4.681 -31.548 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.188 5.147 -32.152 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.213 3.151 -30.910 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.852 2.656 -30.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.025 1.532 -32.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.331 2.535 -32.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -26.743 3.015 -33.275 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.690 9.230 -29.542 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.321 9.686 -29.750 1.00 0.00 C ATOM 1042 C ASP A 70 -23.717 10.206 -28.449 1.00 0.00 C ATOM 1043 O ASP A 70 -22.719 9.676 -27.962 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.281 10.780 -30.818 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.281 10.481 -31.917 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -23.463 9.469 -32.626 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -22.316 11.259 -32.068 1.00 0.00 O ATOM 0 H ASP A 70 -26.404 9.918 -29.780 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.730 8.836 -30.090 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.273 10.893 -31.255 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.028 11.731 -30.350 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.330 11.246 -27.892 1.00 0.00 N ATOM 1053 CA GLU A 71 -23.851 11.838 -26.649 1.00 0.00 C ATOM 1054 C GLU A 71 -23.676 10.772 -25.571 1.00 0.00 C ATOM 1055 O GLU A 71 -22.691 10.777 -24.831 1.00 0.00 O ATOM 1056 CB GLU A 71 -24.824 12.915 -26.163 1.00 0.00 C ATOM 1057 CG GLU A 71 -24.871 14.141 -27.059 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.420 15.402 -26.347 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -25.103 15.816 -25.386 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -23.386 15.974 -26.749 1.00 0.00 O ATOM 0 H GLU A 71 -25.159 11.695 -28.282 1.00 0.00 H new ATOM 0 HA GLU A 71 -22.881 12.296 -26.844 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.824 12.486 -26.096 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.540 13.222 -25.156 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.238 13.974 -27.930 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -25.888 14.279 -27.426 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.638 9.860 -25.487 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.592 8.788 -24.499 1.00 0.00 C ATOM 1069 C LEU A 72 -23.483 7.793 -24.828 1.00 0.00 C ATOM 1070 O LEU A 72 -22.887 7.194 -23.932 1.00 0.00 O ATOM 1071 CB LEU A 72 -25.938 8.065 -24.438 1.00 0.00 C ATOM 1072 CG LEU A 72 -26.987 8.678 -23.509 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.369 8.599 -24.139 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -26.974 7.980 -22.157 1.00 0.00 C ATOM 0 H LEU A 72 -25.460 9.841 -26.091 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.381 9.233 -23.526 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.353 8.025 -25.445 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.761 7.036 -24.125 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.740 9.729 -23.356 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.102 9.040 -23.464 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.370 9.145 -25.083 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.626 7.556 -24.323 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.726 8.429 -21.509 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.196 6.921 -22.292 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -25.990 8.089 -21.701 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.209 7.624 -26.117 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.170 6.703 -26.564 1.00 0.00 C ATOM 1088 C ARG A 73 -20.782 7.275 -26.290 1.00 0.00 C ATOM 1089 O ARG A 73 -19.801 6.537 -26.201 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.327 6.409 -28.057 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.186 5.593 -28.640 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.665 4.692 -29.767 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.718 3.615 -30.047 1.00 0.00 N ATOM 1094 CZ ARG A 73 -20.778 2.847 -31.129 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -21.735 3.035 -32.028 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -19.880 1.888 -31.314 1.00 0.00 N ATOM 0 H ARG A 73 -23.692 8.113 -26.871 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.278 5.774 -26.005 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.263 5.875 -28.217 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.402 7.352 -28.598 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.411 6.263 -29.013 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.733 4.987 -27.856 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.632 4.265 -29.503 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.814 5.287 -30.668 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.970 3.444 -29.375 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.427 3.771 -31.889 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.778 2.444 -32.858 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.143 1.740 -30.625 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.927 1.299 -32.145 1.00 0.00 H new ATOM 1110 N THR A 74 -20.707 8.596 -26.157 1.00 0.00 N ATOM 1111 CA THR A 74 -19.440 9.267 -25.895 1.00 0.00 C ATOM 1112 C THR A 74 -19.092 9.225 -24.412 1.00 0.00 C ATOM 1113 O THR A 74 -17.969 8.886 -24.037 1.00 0.00 O ATOM 1114 CB THR A 74 -19.475 10.734 -26.361 1.00 0.00 C ATOM 1115 OG1 THR A 74 -20.826 11.136 -26.613 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.642 10.923 -27.620 1.00 0.00 C ATOM 0 H THR A 74 -21.509 9.222 -26.227 1.00 0.00 H new ATOM 0 HA THR A 74 -18.676 8.732 -26.460 1.00 0.00 H new ATOM 0 HB THR A 74 -19.053 11.353 -25.569 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.331 11.132 -25.773 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.682 11.967 -27.930 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.608 10.644 -27.417 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.038 10.293 -28.416 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.062 9.569 -23.571 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.858 9.569 -22.127 1.00 0.00 C ATOM 1126 C VAL A 75 -19.570 8.163 -21.613 1.00 0.00 C ATOM 1127 O VAL A 75 -18.783 7.980 -20.683 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.085 10.133 -21.387 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.331 9.329 -21.728 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.843 10.143 -19.885 1.00 0.00 C ATOM 0 H VAL A 75 -20.997 9.851 -23.865 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.998 10.209 -21.929 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.244 11.161 -21.714 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.188 9.742 -21.196 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.513 9.378 -22.802 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.186 8.290 -21.431 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.720 10.545 -19.378 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.658 9.126 -19.539 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.977 10.766 -19.660 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.211 7.173 -22.224 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.024 5.782 -21.829 1.00 0.00 C ATOM 1142 C CYS A 76 -20.151 4.852 -23.031 1.00 0.00 C ATOM 1143 O CYS A 76 -20.807 5.168 -24.024 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.044 5.393 -20.758 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.765 5.646 -21.251 1.00 0.00 S ATOM 0 H CYS A 76 -20.865 7.308 -22.995 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.019 5.679 -21.419 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.902 4.344 -20.500 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.847 5.972 -19.856 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.803 6.279 -22.386 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.508 3.679 -22.943 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.533 2.680 -24.016 1.00 0.00 C ATOM 1153 C PRO A 77 -20.903 2.029 -24.169 1.00 0.00 C ATOM 1154 O PRO A 77 -21.228 1.488 -25.226 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.498 1.647 -23.563 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.450 1.783 -22.081 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.706 3.236 -21.790 1.00 0.00 C ATOM 0 HA PRO A 77 -19.317 3.121 -24.989 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.789 0.639 -23.859 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.523 1.841 -24.010 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.201 1.152 -21.607 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.481 1.472 -21.692 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.244 3.369 -20.851 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.776 3.799 -21.707 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.702 2.085 -23.109 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.038 1.500 -23.127 1.00 0.00 C ATOM 1167 C GLU A 78 -24.088 2.552 -23.471 1.00 0.00 C ATOM 1168 O GLU A 78 -25.256 2.420 -23.108 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.359 0.865 -21.772 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.384 -0.225 -21.364 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.314 -1.354 -22.374 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -23.356 -1.999 -22.616 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -21.217 -1.593 -22.922 1.00 0.00 O ATOM 0 H GLU A 78 -21.448 2.529 -22.227 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.059 0.727 -23.896 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.362 1.642 -21.008 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.365 0.447 -21.806 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.392 0.208 -21.240 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.679 -0.627 -20.395 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.663 3.597 -24.173 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.578 4.657 -24.554 1.00 0.00 C ATOM 1182 C GLY A 79 -25.759 4.144 -25.354 1.00 0.00 C ATOM 1183 O GLY A 79 -26.910 4.325 -24.959 1.00 0.00 O ATOM 0 H GLY A 79 -22.701 3.729 -24.485 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.941 5.159 -23.657 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.041 5.402 -25.141 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.473 3.504 -26.483 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.521 2.963 -27.341 1.00 0.00 C ATOM 1189 C ALA A 80 -27.477 2.079 -26.547 1.00 0.00 C ATOM 1190 O ALA A 80 -28.655 1.964 -26.886 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.908 2.180 -28.492 1.00 0.00 C ATOM 0 H ALA A 80 -24.525 3.347 -26.825 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.092 3.798 -27.747 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.701 1.782 -29.124 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.270 2.839 -29.081 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.312 1.357 -28.096 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.963 1.457 -25.492 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.771 0.581 -24.652 1.00 0.00 C ATOM 1199 C ARG A 81 -28.621 1.394 -23.679 1.00 0.00 C ATOM 1200 O ARG A 81 -29.735 1.000 -23.333 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.876 -0.388 -23.878 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.043 -1.293 -24.771 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.845 -2.492 -25.252 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.152 -3.226 -26.308 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.598 -4.365 -26.825 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -27.731 -4.897 -26.387 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -25.912 -4.974 -27.784 1.00 0.00 N ATOM 0 H ARG A 81 -25.990 1.543 -25.198 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.436 0.010 -25.300 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.210 0.183 -23.232 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.498 -1.005 -23.229 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.683 -0.727 -25.630 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.165 -1.637 -24.225 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.037 -3.160 -24.412 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.814 -2.156 -25.620 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.278 -2.843 -26.668 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -28.262 -4.431 -25.651 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.071 -5.772 -26.786 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -25.041 -4.567 -28.125 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.256 -5.849 -28.180 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.086 2.529 -23.241 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.794 3.398 -22.308 1.00 0.00 C ATOM 1223 C VAL A 82 -29.884 4.193 -23.018 1.00 0.00 C ATOM 1224 O VAL A 82 -31.030 4.235 -22.568 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.831 4.376 -21.611 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.594 5.298 -20.671 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.749 3.615 -20.861 1.00 0.00 C ATOM 0 H VAL A 82 -27.165 2.868 -23.517 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.250 2.753 -21.557 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.350 4.989 -22.373 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.897 5.982 -20.187 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.328 5.869 -21.239 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.104 4.704 -19.913 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.077 4.322 -20.374 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.209 2.975 -20.108 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.183 3.001 -21.562 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.520 4.823 -24.129 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.467 5.620 -24.901 1.00 0.00 C ATOM 1239 C TYR A 83 -31.707 4.804 -25.251 1.00 0.00 C ATOM 1240 O TYR A 83 -32.832 5.297 -25.169 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.806 6.138 -26.179 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.754 6.882 -27.093 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.158 8.179 -26.801 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.246 6.287 -28.248 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.025 8.861 -27.632 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.112 6.963 -29.086 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.499 8.249 -28.773 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.361 8.927 -29.605 1.00 0.00 O ATOM 0 H TYR A 83 -28.576 4.798 -24.516 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.773 6.468 -24.289 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -28.981 6.798 -25.910 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.376 5.297 -26.722 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.788 8.662 -25.909 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.947 5.279 -28.495 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.330 9.868 -27.389 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.484 6.487 -29.981 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.600 8.356 -30.365 1.00 0.00 H new ATOM 1258 N SER A 84 -31.493 3.551 -25.642 1.00 0.00 N ATOM 1259 CA SER A 84 -32.592 2.666 -26.008 1.00 0.00 C ATOM 1260 C SER A 84 -33.543 2.466 -24.832 1.00 0.00 C ATOM 1261 O SER A 84 -34.713 2.132 -25.017 1.00 0.00 O ATOM 1262 CB SER A 84 -32.052 1.314 -26.477 1.00 0.00 C ATOM 1263 OG SER A 84 -31.131 1.475 -27.542 1.00 0.00 O ATOM 0 H SER A 84 -30.568 3.127 -25.713 1.00 0.00 H new ATOM 0 HA SER A 84 -33.144 3.132 -26.824 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.566 0.805 -25.645 1.00 0.00 H new ATOM 0 HB3 SER A 84 -32.878 0.681 -26.799 1.00 0.00 H new ATOM 0 HG SER A 84 -30.216 1.431 -27.193 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.031 2.673 -23.623 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.834 2.515 -22.416 1.00 0.00 C ATOM 1271 C GLN A 85 -34.514 3.826 -22.039 1.00 0.00 C ATOM 1272 O GLN A 85 -35.529 3.832 -21.341 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.962 2.027 -21.258 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.814 0.515 -21.203 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.150 -0.201 -21.153 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.372 -1.175 -21.873 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -35.048 0.280 -20.301 1.00 0.00 N ATOM 0 H GLN A 85 -32.064 2.950 -23.453 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.606 1.772 -22.618 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -31.973 2.478 -21.344 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.391 2.376 -20.319 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.257 0.176 -22.077 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.227 0.243 -20.326 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.821 1.090 -19.724 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.965 -0.160 -20.224 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.949 4.935 -22.504 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.502 6.253 -22.216 1.00 0.00 C ATOM 1288 C ILE A 86 -35.560 6.642 -23.243 1.00 0.00 C ATOM 1289 O ILE A 86 -36.493 7.386 -22.939 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.403 7.332 -22.193 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.335 6.981 -21.155 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.007 8.697 -21.899 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.020 7.694 -21.376 1.00 0.00 C ATOM 0 H ILE A 86 -33.109 4.947 -23.082 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.962 6.193 -21.229 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.930 7.369 -23.174 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.710 7.228 -20.162 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.163 5.905 -21.172 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.218 9.449 -21.886 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.734 8.947 -22.672 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.502 8.674 -20.928 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.311 7.397 -20.603 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.622 7.428 -22.355 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.178 8.771 -21.329 1.00 0.00 H new ATOM 1305 N THR A 87 -35.409 6.133 -24.462 1.00 0.00 N ATOM 1306 CA THR A 87 -36.351 6.426 -25.534 1.00 0.00 C ATOM 1307 C THR A 87 -37.769 6.021 -25.147 1.00 0.00 C ATOM 1308 O THR A 87 -38.740 6.660 -25.551 1.00 0.00 O ATOM 1309 CB THR A 87 -35.961 5.704 -26.838 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.853 6.081 -27.892 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.998 4.194 -26.651 1.00 0.00 C ATOM 0 H THR A 87 -34.643 5.516 -24.731 1.00 0.00 H new ATOM 0 HA THR A 87 -36.316 7.503 -25.699 1.00 0.00 H new ATOM 0 HB THR A 87 -34.945 5.998 -27.101 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.598 5.619 -28.718 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.719 3.705 -27.584 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.297 3.907 -25.867 1.00 0.00 H new ATOM 0 HG23 THR A 87 -37.005 3.887 -26.367 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.881 4.955 -24.360 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.181 4.466 -23.917 1.00 0.00 C ATOM 1321 C VAL A 88 -39.765 5.363 -22.831 1.00 0.00 C ATOM 1322 O VAL A 88 -40.978 5.401 -22.631 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.085 3.025 -23.380 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.170 2.968 -22.166 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.468 2.490 -23.041 1.00 0.00 C ATOM 0 H VAL A 88 -37.087 4.414 -24.017 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.837 4.479 -24.787 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.657 2.393 -24.158 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.114 1.943 -21.800 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.173 3.308 -22.446 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.566 3.612 -21.381 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.381 1.471 -22.663 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.926 3.122 -22.280 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.089 2.493 -23.937 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.892 6.084 -22.135 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.322 6.982 -21.069 1.00 0.00 C ATOM 1337 C GLN A 89 -39.938 8.253 -21.643 1.00 0.00 C ATOM 1338 O GLN A 89 -41.000 8.695 -21.204 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.140 7.337 -20.165 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.409 6.124 -19.614 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.355 5.066 -19.081 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.228 3.884 -19.403 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.311 5.485 -18.259 1.00 0.00 N ATOM 0 H GLN A 89 -37.884 6.064 -22.290 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.080 6.468 -20.479 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.436 7.951 -20.726 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.499 7.943 -19.333 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.790 5.690 -20.399 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.737 6.441 -18.816 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.380 6.474 -18.019 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -39.976 4.818 -17.868 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.265 8.838 -22.629 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.746 10.059 -23.265 1.00 0.00 C ATOM 1354 C LYS A 90 -41.042 9.801 -24.027 1.00 0.00 C ATOM 1355 O LYS A 90 -41.971 10.606 -23.981 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.684 10.615 -24.216 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.419 11.075 -23.514 1.00 0.00 C ATOM 1358 CD LYS A 90 -36.180 10.775 -24.342 1.00 0.00 C ATOM 1359 CE LYS A 90 -36.081 11.694 -25.549 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.908 11.205 -26.687 1.00 0.00 N ATOM 0 H LYS A 90 -38.385 8.486 -23.005 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.945 10.793 -22.484 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.426 9.848 -24.946 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -39.107 11.453 -24.770 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.478 12.146 -23.321 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.339 10.581 -22.546 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.291 10.889 -23.722 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -36.206 9.737 -24.675 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.404 12.697 -25.270 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -35.040 11.771 -25.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.499 11.539 -27.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.926 10.165 -26.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.878 11.568 -26.593 1.00 0.00 H new