USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -1.2 K(o=-0.38,f=-4.8!) USER MOD Set 1.2: A 52 THR OG1 : rot 80:sc= 1.16 USER MOD Set 1.3: A 76 CYS SG : rot -13:sc= -0.337 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= 0.985 USER MOD Single : A 29 ASN : amide:sc= -0.879 X(o=-0.88,f=-0.9) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0743 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= -1.26 X(o=-1.3,f=-1.2!) 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= -0.191 USER MOD Single : A 60 ASN : amide:sc= -2.4! C(o=-2.4!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.0075) USER MOD Single : A 69 LYS NZ :NH3+ 167:sc= -0.664 (180deg=-0.904) USER MOD Single : A 74 THR OG1 : rot 79:sc= 0.727 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 88:sc= 0.893 USER MOD Single : A 85 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.55) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.9!) USER MOD Single : A 90 LYS NZ :NH3+ -140:sc= -0.196 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.364 1.185 -11.289 1.00 0.00 N ATOM 391 CA ILE A 28 -37.816 2.535 -11.317 1.00 0.00 C ATOM 392 C ILE A 28 -38.058 3.198 -12.668 1.00 0.00 C ATOM 393 O ILE A 28 -38.015 2.544 -13.709 1.00 0.00 O ATOM 394 CB ILE A 28 -36.304 2.535 -11.022 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.006 1.702 -9.773 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.798 3.959 -10.850 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.623 2.265 -8.512 1.00 0.00 C ATOM 0 HA ILE A 28 -38.330 3.100 -10.540 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.783 2.086 -11.868 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.373 0.687 -9.926 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.926 1.633 -9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.728 3.942 -10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.981 4.523 -11.764 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.322 4.433 -10.020 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.371 1.625 -7.667 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.237 3.269 -8.335 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.706 2.308 -8.625 1.00 0.00 H new ATOM 409 N ASN A 29 -38.313 4.503 -12.644 1.00 0.00 N ATOM 410 CA ASN A 29 -38.561 5.256 -13.868 1.00 0.00 C ATOM 411 C ASN A 29 -38.088 6.699 -13.723 1.00 0.00 C ATOM 412 O ASN A 29 -37.981 7.220 -12.613 1.00 0.00 O ATOM 413 CB ASN A 29 -40.051 5.228 -14.215 1.00 0.00 C ATOM 414 CG ASN A 29 -40.621 3.823 -14.205 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.200 3.383 -13.212 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.459 3.111 -15.314 1.00 0.00 N ATOM 0 H ASN A 29 -38.353 5.060 -11.791 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.998 4.787 -14.675 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.599 5.844 -13.502 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.200 5.671 -15.200 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -40.821 2.159 -15.366 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -39.972 3.516 -16.114 1.00 0.00 H new ATOM 423 N ILE A 30 -37.807 7.340 -14.853 1.00 0.00 N ATOM 424 CA ILE A 30 -37.348 8.723 -14.853 1.00 0.00 C ATOM 425 C ILE A 30 -38.150 9.569 -15.835 1.00 0.00 C ATOM 426 O ILE A 30 -38.692 9.057 -16.815 1.00 0.00 O ATOM 427 CB ILE A 30 -35.853 8.820 -15.211 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.539 7.940 -16.423 1.00 0.00 C ATOM 429 CG2 ILE A 30 -34.996 8.416 -14.020 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.080 7.963 -16.824 1.00 0.00 C ATOM 0 H ILE A 30 -37.889 6.923 -15.780 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.497 9.104 -13.843 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.621 9.854 -15.466 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.831 6.913 -16.202 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.145 8.269 -17.267 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.942 8.490 -14.288 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.204 9.079 -13.180 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.227 7.389 -13.737 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.930 7.317 -17.689 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.788 8.982 -17.077 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.469 7.606 -15.995 1.00 0.00 H new ATOM 442 N THR A 31 -38.220 10.870 -15.568 1.00 0.00 N ATOM 443 CA THR A 31 -38.956 11.788 -16.428 1.00 0.00 C ATOM 444 C THR A 31 -38.135 13.038 -16.726 1.00 0.00 C ATOM 445 O THR A 31 -37.023 13.197 -16.223 1.00 0.00 O ATOM 446 CB THR A 31 -40.293 12.207 -15.790 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.143 12.326 -14.371 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.384 11.194 -16.106 1.00 0.00 C ATOM 0 H THR A 31 -37.776 11.311 -14.763 1.00 0.00 H new ATOM 0 HA THR A 31 -39.157 11.257 -17.358 1.00 0.00 H new ATOM 0 HB THR A 31 -40.582 13.172 -16.207 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.997 12.594 -13.973 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.319 11.511 -15.645 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.516 11.127 -17.186 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.099 10.218 -15.714 1.00 0.00 H new ATOM 456 N TYR A 32 -38.690 13.922 -17.548 1.00 0.00 N ATOM 457 CA TYR A 32 -38.008 15.157 -17.915 1.00 0.00 C ATOM 458 C TYR A 32 -37.808 16.052 -16.695 1.00 0.00 C ATOM 459 O TYR A 32 -36.955 16.940 -16.696 1.00 0.00 O ATOM 460 CB TYR A 32 -38.805 15.906 -18.984 1.00 0.00 C ATOM 461 CG TYR A 32 -38.317 15.650 -20.393 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.030 16.002 -20.777 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.144 15.056 -21.338 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.580 15.771 -22.063 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.702 14.820 -22.625 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.420 15.179 -22.983 1.00 0.00 C ATOM 467 OH TYR A 32 -36.976 14.946 -24.265 1.00 0.00 O ATOM 0 H TYR A 32 -39.610 13.806 -17.973 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.029 14.896 -18.317 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.853 15.616 -18.913 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.755 16.976 -18.780 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.369 16.464 -20.058 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.149 14.774 -21.062 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.576 16.052 -22.346 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.357 14.356 -23.347 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.689 14.522 -24.786 1.00 0.00 H new ATOM 477 N ASP A 33 -38.600 15.811 -15.656 1.00 0.00 N ATOM 478 CA ASP A 33 -38.510 16.592 -14.428 1.00 0.00 C ATOM 479 C ASP A 33 -38.018 15.729 -13.270 1.00 0.00 C ATOM 480 O ASP A 33 -38.456 15.892 -12.132 1.00 0.00 O ATOM 481 CB ASP A 33 -39.870 17.201 -14.085 1.00 0.00 C ATOM 482 CG ASP A 33 -39.767 18.660 -13.687 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.515 19.501 -14.575 1.00 0.00 O ATOM 484 OD2 ASP A 33 -39.940 18.961 -12.487 1.00 0.00 O ATOM 0 H ASP A 33 -39.312 15.081 -15.640 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.791 17.396 -14.589 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.534 17.108 -14.945 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.323 16.636 -13.270 1.00 0.00 H new ATOM 489 N SER A 34 -37.105 14.810 -13.569 1.00 0.00 N ATOM 490 CA SER A 34 -36.557 13.918 -12.554 1.00 0.00 C ATOM 491 C SER A 34 -35.271 14.490 -11.965 1.00 0.00 C ATOM 492 O SER A 34 -34.712 15.457 -12.485 1.00 0.00 O ATOM 493 CB SER A 34 -36.286 12.536 -13.152 1.00 0.00 C ATOM 494 OG SER A 34 -37.436 11.711 -13.071 1.00 0.00 O ATOM 0 H SER A 34 -36.729 14.664 -14.506 1.00 0.00 H new ATOM 0 HA SER A 34 -37.292 13.823 -11.755 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.982 12.640 -14.194 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.458 12.064 -12.624 1.00 0.00 H new ATOM 0 HG SER A 34 -37.230 10.913 -12.541 1.00 0.00 H new ATOM 500 N THR A 35 -34.807 13.887 -10.876 1.00 0.00 N ATOM 501 CA THR A 35 -33.589 14.335 -10.214 1.00 0.00 C ATOM 502 C THR A 35 -32.385 13.513 -10.661 1.00 0.00 C ATOM 503 O THR A 35 -32.513 12.371 -11.104 1.00 0.00 O ATOM 504 CB THR A 35 -33.716 14.246 -8.681 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.310 12.949 -8.230 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.147 14.516 -8.241 1.00 0.00 C ATOM 0 H THR A 35 -35.257 13.086 -10.433 1.00 0.00 H new ATOM 0 HA THR A 35 -33.441 15.377 -10.499 1.00 0.00 H new ATOM 0 HB THR A 35 -33.067 15.003 -8.240 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.392 12.901 -7.255 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.213 14.448 -7.155 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.444 15.515 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.811 13.779 -8.692 1.00 0.00 H new ATOM 514 N PRO A 36 -31.187 14.104 -10.543 1.00 0.00 N ATOM 515 CA PRO A 36 -29.937 13.443 -10.928 1.00 0.00 C ATOM 516 C PRO A 36 -29.574 12.297 -9.990 1.00 0.00 C ATOM 517 O PRO A 36 -28.638 11.542 -10.252 1.00 0.00 O ATOM 518 CB PRO A 36 -28.898 14.563 -10.831 1.00 0.00 C ATOM 519 CG PRO A 36 -29.468 15.523 -9.845 1.00 0.00 C ATOM 520 CD PRO A 36 -30.960 15.463 -10.023 1.00 0.00 C ATOM 0 HA PRO A 36 -30.004 12.990 -11.917 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.933 14.180 -10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.736 15.038 -11.799 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.185 15.252 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.094 16.532 -10.021 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.484 15.626 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.313 16.224 -10.719 1.00 0.00 H new ATOM 528 N GLU A 37 -30.320 12.174 -8.897 1.00 0.00 N ATOM 529 CA GLU A 37 -30.075 11.119 -7.921 1.00 0.00 C ATOM 530 C GLU A 37 -30.937 9.895 -8.214 1.00 0.00 C ATOM 531 O GLU A 37 -30.587 8.773 -7.846 1.00 0.00 O ATOM 532 CB GLU A 37 -30.357 11.628 -6.506 1.00 0.00 C ATOM 533 CG GLU A 37 -29.347 11.152 -5.475 1.00 0.00 C ATOM 534 CD GLU A 37 -28.696 12.297 -4.723 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.377 12.916 -3.879 1.00 0.00 O ATOM 536 OE2 GLU A 37 -27.506 12.574 -4.980 1.00 0.00 O ATOM 0 H GLU A 37 -31.098 12.791 -8.665 1.00 0.00 H new ATOM 0 HA GLU A 37 -29.027 10.829 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.367 12.718 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.353 11.303 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.843 10.491 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.576 10.564 -5.972 1.00 0.00 H new ATOM 543 N ASP A 38 -32.066 10.119 -8.877 1.00 0.00 N ATOM 544 CA ASP A 38 -32.979 9.035 -9.221 1.00 0.00 C ATOM 545 C ASP A 38 -32.467 8.255 -10.428 1.00 0.00 C ATOM 546 O ASP A 38 -32.612 7.034 -10.498 1.00 0.00 O ATOM 547 CB ASP A 38 -34.375 9.588 -9.511 1.00 0.00 C ATOM 548 CG ASP A 38 -35.303 9.472 -8.318 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.291 8.412 -7.657 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.042 10.441 -8.044 1.00 0.00 O ATOM 0 H ASP A 38 -32.371 11.042 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 38 -33.035 8.357 -8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.294 10.635 -9.804 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.806 9.052 -10.357 1.00 0.00 H new ATOM 555 N VAL A 39 -31.869 8.968 -11.377 1.00 0.00 N ATOM 556 CA VAL A 39 -31.335 8.343 -12.581 1.00 0.00 C ATOM 557 C VAL A 39 -30.297 7.281 -12.235 1.00 0.00 C ATOM 558 O VAL A 39 -30.205 6.248 -12.897 1.00 0.00 O ATOM 559 CB VAL A 39 -30.696 9.384 -13.518 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.124 8.710 -14.755 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.713 10.448 -13.903 1.00 0.00 C ATOM 0 H VAL A 39 -31.742 9.979 -11.335 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.175 7.873 -13.092 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.877 9.870 -12.988 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.677 9.462 -15.405 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.363 7.989 -14.457 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -30.922 8.195 -15.291 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.245 11.176 -14.566 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.554 9.980 -14.415 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.070 10.952 -13.005 1.00 0.00 H new ATOM 571 N LYS A 40 -29.515 7.543 -11.193 1.00 0.00 N ATOM 572 CA LYS A 40 -28.483 6.611 -10.756 1.00 0.00 C ATOM 573 C LYS A 40 -29.073 5.228 -10.500 1.00 0.00 C ATOM 574 O LYS A 40 -28.538 4.218 -10.960 1.00 0.00 O ATOM 575 CB LYS A 40 -27.802 7.129 -9.488 1.00 0.00 C ATOM 576 CG LYS A 40 -26.304 6.878 -9.455 1.00 0.00 C ATOM 577 CD LYS A 40 -25.657 7.523 -8.241 1.00 0.00 C ATOM 578 CE LYS A 40 -24.535 8.468 -8.643 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.352 8.337 -7.748 1.00 0.00 N ATOM 0 H LYS A 40 -29.577 8.395 -10.635 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.742 6.530 -11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.984 8.200 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.260 6.655 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.114 5.805 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.848 7.272 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.410 8.071 -7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.263 6.749 -7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.237 8.262 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.898 9.495 -8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.610 8.997 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.630 8.559 -6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.989 7.363 -7.792 1.00 0.00 H new ATOM 593 N THR A 41 -30.179 5.188 -9.763 1.00 0.00 N ATOM 594 CA THR A 41 -30.841 3.929 -9.447 1.00 0.00 C ATOM 595 C THR A 41 -31.547 3.355 -10.670 1.00 0.00 C ATOM 596 O THR A 41 -31.587 2.140 -10.862 1.00 0.00 O ATOM 597 CB THR A 41 -31.867 4.104 -8.311 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.212 4.568 -7.126 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.583 2.793 -8.021 1.00 0.00 C ATOM 0 H THR A 41 -30.635 6.013 -9.374 1.00 0.00 H new ATOM 0 HA THR A 41 -30.064 3.237 -9.122 1.00 0.00 H new ATOM 0 HB THR A 41 -32.605 4.840 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.871 4.678 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.302 2.942 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.106 2.458 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.855 2.039 -7.722 1.00 0.00 H new ATOM 607 N TRP A 42 -32.100 4.237 -11.495 1.00 0.00 N ATOM 608 CA TRP A 42 -32.805 3.817 -12.701 1.00 0.00 C ATOM 609 C TRP A 42 -31.883 3.026 -13.622 1.00 0.00 C ATOM 610 O TRP A 42 -32.319 2.101 -14.308 1.00 0.00 O ATOM 611 CB TRP A 42 -33.362 5.035 -13.441 1.00 0.00 C ATOM 612 CG TRP A 42 -34.138 4.678 -14.672 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.432 4.247 -14.729 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.667 4.720 -16.024 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.794 4.018 -16.035 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.729 4.301 -16.848 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.452 5.072 -16.618 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.611 4.225 -18.234 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.336 4.995 -17.993 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.410 4.576 -18.788 1.00 0.00 C ATOM 0 H TRP A 42 -32.074 5.246 -11.351 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.632 3.172 -12.403 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.005 5.599 -12.765 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.537 5.692 -13.718 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.076 4.107 -13.874 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.708 3.690 -16.348 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.619 5.398 -16.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.437 3.901 -18.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.401 5.263 -18.462 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.288 4.529 -19.860 1.00 0.00 H new ATOM 631 N LEU A 43 -30.606 3.394 -13.633 1.00 0.00 N ATOM 632 CA LEU A 43 -29.622 2.717 -14.470 1.00 0.00 C ATOM 633 C LEU A 43 -29.224 1.375 -13.866 1.00 0.00 C ATOM 634 O LEU A 43 -29.099 0.377 -14.575 1.00 0.00 O ATOM 635 CB LEU A 43 -28.383 3.597 -14.648 1.00 0.00 C ATOM 636 CG LEU A 43 -28.633 5.007 -15.186 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.726 6.011 -14.493 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.423 5.047 -16.693 1.00 0.00 C ATOM 0 H LEU A 43 -30.228 4.157 -13.072 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.074 2.535 -15.445 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.880 3.681 -13.685 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.695 3.089 -15.323 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.668 5.278 -14.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.918 7.008 -14.889 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -27.924 6.001 -13.421 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.684 5.744 -14.672 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.605 6.057 -17.059 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.399 4.756 -16.925 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.115 4.356 -17.175 1.00 0.00 H new ATOM 650 N GLN A 44 -29.028 1.358 -12.551 1.00 0.00 N ATOM 651 CA GLN A 44 -28.645 0.138 -11.852 1.00 0.00 C ATOM 652 C GLN A 44 -29.767 -0.894 -11.905 1.00 0.00 C ATOM 653 O GLN A 44 -29.526 -2.074 -12.160 1.00 0.00 O ATOM 654 CB GLN A 44 -28.290 0.449 -10.396 1.00 0.00 C ATOM 655 CG GLN A 44 -27.011 1.255 -10.241 1.00 0.00 C ATOM 656 CD GLN A 44 -25.788 0.380 -10.057 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.851 -0.668 -9.414 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.665 0.805 -10.624 1.00 0.00 N ATOM 0 H GLN A 44 -29.128 2.175 -11.949 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.770 -0.278 -12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.113 0.998 -9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.188 -0.487 -9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.874 1.884 -11.121 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.108 1.922 -9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.658 1.680 -11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.810 0.256 -10.535 1.00 0.00 H new ATOM 667 N SER A 45 -30.993 -0.442 -11.661 1.00 0.00 N ATOM 668 CA SER A 45 -32.151 -1.327 -11.677 1.00 0.00 C ATOM 669 C SER A 45 -32.213 -2.118 -12.980 1.00 0.00 C ATOM 670 O SER A 45 -32.355 -3.341 -12.972 1.00 0.00 O ATOM 671 CB SER A 45 -33.439 -0.520 -11.496 1.00 0.00 C ATOM 672 OG SER A 45 -34.532 -1.154 -12.137 1.00 0.00 O ATOM 0 H SER A 45 -31.210 0.532 -11.450 1.00 0.00 H new ATOM 0 HA SER A 45 -32.051 -2.030 -10.850 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.653 -0.405 -10.434 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.305 0.482 -11.905 1.00 0.00 H new ATOM 0 HG SER A 45 -35.343 -0.620 -12.005 1.00 0.00 H new ATOM 678 N LYS A 46 -32.105 -1.411 -14.100 1.00 0.00 N ATOM 679 CA LYS A 46 -32.147 -2.044 -15.413 1.00 0.00 C ATOM 680 C LYS A 46 -31.009 -3.049 -15.568 1.00 0.00 C ATOM 681 O LYS A 46 -31.118 -4.012 -16.326 1.00 0.00 O ATOM 682 CB LYS A 46 -32.061 -0.987 -16.515 1.00 0.00 C ATOM 683 CG LYS A 46 -33.245 -0.035 -16.538 1.00 0.00 C ATOM 684 CD LYS A 46 -34.548 -0.772 -16.800 1.00 0.00 C ATOM 685 CE LYS A 46 -35.699 0.195 -17.028 1.00 0.00 C ATOM 686 NZ LYS A 46 -37.022 -0.462 -16.833 1.00 0.00 N ATOM 0 H LYS A 46 -31.988 -0.398 -14.125 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.094 -2.576 -15.502 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.145 -0.411 -16.384 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.988 -1.486 -17.481 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.309 0.491 -15.585 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.091 0.720 -17.309 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.434 -1.416 -17.672 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.778 -1.419 -15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.607 1.037 -16.342 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.639 0.599 -18.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.781 0.230 -16.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.121 -1.250 -17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.089 -0.825 -15.861 1.00 0.00 H new ATOM 700 N GLY A 47 -29.918 -2.818 -14.844 1.00 0.00 N ATOM 701 CA GLY A 47 -28.778 -3.712 -14.916 1.00 0.00 C ATOM 702 C GLY A 47 -27.674 -3.174 -15.804 1.00 0.00 C ATOM 703 O GLY A 47 -27.106 -3.907 -16.614 1.00 0.00 O ATOM 0 H GLY A 47 -29.804 -2.028 -14.209 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.385 -3.876 -13.913 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.104 -4.681 -15.293 1.00 0.00 H new ATOM 707 N PHE A 48 -27.369 -1.889 -15.654 1.00 0.00 N ATOM 708 CA PHE A 48 -26.327 -1.252 -16.451 1.00 0.00 C ATOM 709 C PHE A 48 -25.017 -1.178 -15.674 1.00 0.00 C ATOM 710 O PHE A 48 -25.015 -1.031 -14.452 1.00 0.00 O ATOM 711 CB PHE A 48 -26.765 0.152 -16.871 1.00 0.00 C ATOM 712 CG PHE A 48 -27.710 0.162 -18.039 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.241 -0.023 -19.329 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.068 0.356 -17.845 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.108 -0.016 -20.405 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.941 0.364 -18.917 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.460 0.179 -20.199 1.00 0.00 C ATOM 0 H PHE A 48 -27.829 -1.268 -14.988 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.165 -1.857 -17.343 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.243 0.643 -16.023 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.882 0.739 -17.124 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.185 -0.175 -19.496 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.449 0.503 -16.845 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.729 -0.163 -21.406 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -30.998 0.515 -18.753 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.140 0.187 -21.038 1.00 0.00 H new ATOM 727 N ASN A 49 -23.903 -1.281 -16.392 1.00 0.00 N ATOM 728 CA ASN A 49 -22.585 -1.226 -15.770 1.00 0.00 C ATOM 729 C ASN A 49 -22.440 0.026 -14.910 1.00 0.00 C ATOM 730 O ASN A 49 -23.114 1.035 -15.120 1.00 0.00 O ATOM 731 CB ASN A 49 -21.492 -1.253 -16.840 1.00 0.00 C ATOM 732 CG ASN A 49 -21.437 0.033 -17.643 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.354 0.853 -17.585 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.360 0.214 -18.398 1.00 0.00 N ATOM 0 H ASN A 49 -23.887 -1.403 -17.405 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.477 -2.100 -15.128 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.526 -1.423 -16.365 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.668 -2.092 -17.514 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.268 1.060 -18.961 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.625 -0.493 -18.415 1.00 0.00 H new ATOM 741 N PRO A 50 -21.540 -0.038 -13.919 1.00 0.00 N ATOM 742 CA PRO A 50 -21.284 1.082 -13.008 1.00 0.00 C ATOM 743 C PRO A 50 -20.583 2.245 -13.702 1.00 0.00 C ATOM 744 O PRO A 50 -20.740 3.401 -13.309 1.00 0.00 O ATOM 745 CB PRO A 50 -20.375 0.470 -11.939 1.00 0.00 C ATOM 746 CG PRO A 50 -19.703 -0.671 -12.622 1.00 0.00 C ATOM 747 CD PRO A 50 -20.701 -1.208 -13.610 1.00 0.00 C ATOM 0 HA PRO A 50 -22.207 1.503 -12.611 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.649 1.196 -11.574 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.950 0.132 -11.077 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.793 -0.344 -13.125 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.412 -1.439 -11.905 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.212 -1.599 -14.503 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.288 -2.022 -13.186 1.00 0.00 H new ATOM 755 N VAL A 51 -19.808 1.931 -14.735 1.00 0.00 N ATOM 756 CA VAL A 51 -19.084 2.951 -15.485 1.00 0.00 C ATOM 757 C VAL A 51 -20.043 3.956 -16.113 1.00 0.00 C ATOM 758 O VAL A 51 -19.666 5.092 -16.405 1.00 0.00 O ATOM 759 CB VAL A 51 -18.218 2.323 -16.593 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.497 3.404 -17.384 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.226 1.335 -15.998 1.00 0.00 C ATOM 0 H VAL A 51 -19.665 0.979 -15.072 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.436 3.466 -14.775 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.871 1.780 -17.277 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.890 2.942 -18.162 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.229 4.069 -17.842 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.855 3.977 -16.715 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.622 0.901 -16.795 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.577 1.852 -15.292 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.767 0.543 -15.480 1.00 0.00 H new ATOM 771 N THR A 52 -21.286 3.532 -16.317 1.00 0.00 N ATOM 772 CA THR A 52 -22.300 4.395 -16.911 1.00 0.00 C ATOM 773 C THR A 52 -23.086 5.138 -15.837 1.00 0.00 C ATOM 774 O THR A 52 -23.320 6.342 -15.946 1.00 0.00 O ATOM 775 CB THR A 52 -23.280 3.590 -17.785 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.592 3.039 -18.913 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.425 4.470 -18.264 1.00 0.00 C ATOM 0 H THR A 52 -21.615 2.596 -16.080 1.00 0.00 H new ATOM 0 HA THR A 52 -21.775 5.116 -17.537 1.00 0.00 H new ATOM 0 HB THR A 52 -23.691 2.782 -17.181 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.115 2.228 -18.641 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.104 3.880 -18.879 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.965 4.865 -17.403 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.027 5.296 -18.853 1.00 0.00 H new ATOM 785 N VAL A 53 -23.492 4.414 -14.799 1.00 0.00 N ATOM 786 CA VAL A 53 -24.252 5.005 -13.704 1.00 0.00 C ATOM 787 C VAL A 53 -23.444 6.089 -12.998 1.00 0.00 C ATOM 788 O VAL A 53 -24.004 6.962 -12.337 1.00 0.00 O ATOM 789 CB VAL A 53 -24.672 3.941 -12.674 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.589 4.548 -11.623 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.347 2.766 -13.366 1.00 0.00 C ATOM 0 H VAL A 53 -23.307 3.416 -14.693 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.146 5.448 -14.142 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.777 3.573 -12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.876 3.781 -10.903 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.067 5.353 -11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.482 4.945 -12.105 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.637 2.024 -12.622 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.234 3.116 -13.895 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.654 2.316 -14.077 1.00 0.00 H new ATOM 801 N ASN A 54 -22.125 6.026 -13.144 1.00 0.00 N ATOM 802 CA ASN A 54 -21.239 7.002 -12.521 1.00 0.00 C ATOM 803 C ASN A 54 -21.181 8.286 -13.342 1.00 0.00 C ATOM 804 O ASN A 54 -21.214 9.388 -12.794 1.00 0.00 O ATOM 805 CB ASN A 54 -19.833 6.419 -12.364 1.00 0.00 C ATOM 806 CG ASN A 54 -19.399 6.338 -10.913 1.00 0.00 C ATOM 807 OD1 ASN A 54 -18.941 7.323 -10.335 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.541 5.159 -10.319 1.00 0.00 N ATOM 0 H ASN A 54 -21.646 5.309 -13.689 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.638 7.240 -11.535 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.805 5.423 -12.805 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.124 7.033 -12.919 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.265 5.043 -9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.926 4.370 -10.838 1.00 0.00 H new ATOM 815 N SER A 55 -21.095 8.136 -14.660 1.00 0.00 N ATOM 816 CA SER A 55 -21.029 9.284 -15.557 1.00 0.00 C ATOM 817 C SER A 55 -22.410 9.904 -15.748 1.00 0.00 C ATOM 818 O SER A 55 -22.537 11.110 -15.964 1.00 0.00 O ATOM 819 CB SER A 55 -20.454 8.866 -16.912 1.00 0.00 C ATOM 820 OG SER A 55 -19.536 9.832 -17.396 1.00 0.00 O ATOM 0 H SER A 55 -21.069 7.231 -15.130 1.00 0.00 H new ATOM 0 HA SER A 55 -20.374 10.029 -15.106 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.956 7.901 -16.817 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.264 8.737 -17.630 1.00 0.00 H new ATOM 0 HG SER A 55 -19.064 9.473 -18.176 1.00 0.00 H new ATOM 826 N LEU A 56 -23.442 9.072 -15.666 1.00 0.00 N ATOM 827 CA LEU A 56 -24.815 9.537 -15.829 1.00 0.00 C ATOM 828 C LEU A 56 -25.557 9.522 -14.497 1.00 0.00 C ATOM 829 O LEU A 56 -26.785 9.469 -14.459 1.00 0.00 O ATOM 830 CB LEU A 56 -25.552 8.664 -16.846 1.00 0.00 C ATOM 831 CG LEU A 56 -24.819 8.400 -18.161 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.604 7.425 -19.024 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.579 9.703 -18.909 1.00 0.00 C ATOM 0 H LEU A 56 -23.354 8.072 -15.488 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.784 10.563 -16.195 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.774 7.705 -16.378 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.508 9.136 -17.075 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.852 7.953 -17.932 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.066 7.250 -19.956 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.723 6.482 -18.491 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.586 7.844 -19.245 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.056 9.496 -19.843 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.535 10.179 -19.127 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.974 10.369 -18.294 1.00 0.00 H new ATOM 845 N GLY A 57 -24.801 9.572 -13.404 1.00 0.00 N ATOM 846 CA GLY A 57 -25.404 9.566 -12.084 1.00 0.00 C ATOM 847 C GLY A 57 -25.443 10.946 -11.458 1.00 0.00 C ATOM 848 O GLY A 57 -25.825 11.099 -10.297 1.00 0.00 O ATOM 0 H GLY A 57 -23.782 9.617 -13.409 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.418 9.173 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.845 8.892 -11.435 1.00 0.00 H new ATOM 852 N VAL A 58 -25.045 11.955 -12.226 1.00 0.00 N ATOM 853 CA VAL A 58 -25.035 13.329 -11.740 1.00 0.00 C ATOM 854 C VAL A 58 -25.995 14.202 -12.540 1.00 0.00 C ATOM 855 O VAL A 58 -26.392 15.279 -12.092 1.00 0.00 O ATOM 856 CB VAL A 58 -23.622 13.940 -11.812 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.734 13.359 -10.722 1.00 0.00 C ATOM 858 CG2 VAL A 58 -23.013 13.711 -13.186 1.00 0.00 C ATOM 0 H VAL A 58 -24.725 11.846 -13.188 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.357 13.299 -10.699 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.700 15.015 -11.649 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.740 13.802 -10.788 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.165 13.579 -9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.659 12.279 -10.851 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -22.015 14.149 -13.219 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.946 12.641 -13.381 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.640 14.179 -13.945 1.00 0.00 H new ATOM 868 N LEU A 59 -26.365 13.731 -13.726 1.00 0.00 N ATOM 869 CA LEU A 59 -27.281 14.469 -14.589 1.00 0.00 C ATOM 870 C LEU A 59 -28.731 14.110 -14.279 1.00 0.00 C ATOM 871 O LEU A 59 -29.060 12.944 -14.067 1.00 0.00 O ATOM 872 CB LEU A 59 -26.975 14.175 -16.059 1.00 0.00 C ATOM 873 CG LEU A 59 -25.657 14.735 -16.595 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.504 14.417 -18.074 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.581 16.237 -16.360 1.00 0.00 C ATOM 0 H LEU A 59 -26.045 12.843 -14.112 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.141 15.533 -14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.971 13.094 -16.199 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.789 14.572 -16.665 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.837 14.261 -16.056 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.560 14.823 -18.438 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.513 13.336 -18.217 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.329 14.863 -18.629 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.636 16.619 -16.748 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.408 16.728 -16.873 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.644 16.442 -15.291 1.00 0.00 H new ATOM 887 N ASN A 60 -29.593 15.121 -14.255 1.00 0.00 N ATOM 888 CA ASN A 60 -31.008 14.912 -13.971 1.00 0.00 C ATOM 889 C ASN A 60 -31.713 14.275 -15.165 1.00 0.00 C ATOM 890 O ASN A 60 -31.177 14.242 -16.271 1.00 0.00 O ATOM 891 CB ASN A 60 -31.680 16.240 -13.617 1.00 0.00 C ATOM 892 CG ASN A 60 -31.474 17.296 -14.686 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.085 17.242 -15.753 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.609 18.263 -14.402 1.00 0.00 N ATOM 0 H ASN A 60 -29.337 16.093 -14.429 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.087 14.235 -13.121 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.748 16.076 -13.473 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.283 16.604 -12.670 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.428 19.002 -15.082 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.125 18.267 -13.504 1.00 0.00 H new ATOM 901 N GLY A 61 -32.921 13.770 -14.932 1.00 0.00 N ATOM 902 CA GLY A 61 -33.681 13.141 -15.996 1.00 0.00 C ATOM 903 C GLY A 61 -33.789 14.019 -17.228 1.00 0.00 C ATOM 904 O GLY A 61 -33.724 13.529 -18.355 1.00 0.00 O ATOM 0 H GLY A 61 -33.387 13.786 -14.025 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.209 12.197 -16.267 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.681 12.904 -15.633 1.00 0.00 H new ATOM 908 N ALA A 62 -33.956 15.320 -17.013 1.00 0.00 N ATOM 909 CA ALA A 62 -34.073 16.267 -18.114 1.00 0.00 C ATOM 910 C ALA A 62 -32.832 16.235 -19.000 1.00 0.00 C ATOM 911 O ALA A 62 -32.927 16.014 -20.207 1.00 0.00 O ATOM 912 CB ALA A 62 -34.304 17.673 -17.579 1.00 0.00 C ATOM 0 H ALA A 62 -34.013 15.742 -16.086 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.930 15.975 -18.721 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.389 18.370 -18.413 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.223 17.693 -16.994 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.465 17.964 -16.947 1.00 0.00 H new ATOM 918 N GLN A 63 -31.671 16.456 -18.393 1.00 0.00 N ATOM 919 CA GLN A 63 -30.412 16.453 -19.129 1.00 0.00 C ATOM 920 C GLN A 63 -30.178 15.104 -19.802 1.00 0.00 C ATOM 921 O GLN A 63 -29.870 15.038 -20.993 1.00 0.00 O ATOM 922 CB GLN A 63 -29.248 16.777 -18.191 1.00 0.00 C ATOM 923 CG GLN A 63 -29.328 18.166 -17.580 1.00 0.00 C ATOM 924 CD GLN A 63 -28.328 19.130 -18.188 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.600 19.820 -17.474 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.287 19.182 -19.514 1.00 0.00 N ATOM 0 H GLN A 63 -31.576 16.639 -17.394 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.470 17.219 -19.902 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.221 16.038 -17.390 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.312 16.685 -18.742 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.335 18.560 -17.715 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.154 18.097 -16.506 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.909 18.592 -20.067 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.634 19.812 -19.980 1.00 0.00 H new ATOM 935 N LEU A 64 -30.326 14.031 -19.033 1.00 0.00 N ATOM 936 CA LEU A 64 -30.130 12.683 -19.554 1.00 0.00 C ATOM 937 C LEU A 64 -31.043 12.424 -20.749 1.00 0.00 C ATOM 938 O LEU A 64 -30.646 11.775 -21.717 1.00 0.00 O ATOM 939 CB LEU A 64 -30.398 11.648 -18.460 1.00 0.00 C ATOM 940 CG LEU A 64 -30.335 10.183 -18.893 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.440 9.387 -17.956 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.732 9.580 -18.938 1.00 0.00 C ATOM 0 H LEU A 64 -30.581 14.068 -18.046 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.095 12.594 -19.884 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.675 11.801 -17.658 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.385 11.840 -18.040 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.908 10.139 -19.895 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.408 8.347 -18.280 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.433 9.804 -17.973 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.837 9.439 -16.942 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.668 8.537 -19.248 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.185 9.637 -17.948 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.344 10.133 -19.650 1.00 0.00 H new ATOM 954 N PHE A 65 -32.266 12.937 -20.675 1.00 0.00 N ATOM 955 CA PHE A 65 -33.235 12.762 -21.751 1.00 0.00 C ATOM 956 C PHE A 65 -32.775 13.477 -23.018 1.00 0.00 C ATOM 957 O PHE A 65 -33.195 13.135 -24.124 1.00 0.00 O ATOM 958 CB PHE A 65 -34.606 13.291 -21.322 1.00 0.00 C ATOM 959 CG PHE A 65 -35.438 12.275 -20.593 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.839 11.302 -19.810 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.820 12.295 -20.690 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.603 10.366 -19.139 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.590 11.362 -20.020 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.980 10.397 -19.243 1.00 0.00 C ATOM 0 H PHE A 65 -32.610 13.477 -19.881 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.315 11.696 -21.965 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.467 14.162 -20.682 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.149 13.628 -22.205 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.763 11.274 -19.723 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.302 13.048 -21.296 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.124 9.611 -18.534 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.666 11.388 -20.104 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.579 9.668 -18.717 1.00 0.00 H new ATOM 974 N SER A 66 -31.910 14.472 -22.848 1.00 0.00 N ATOM 975 CA SER A 66 -31.396 15.239 -23.977 1.00 0.00 C ATOM 976 C SER A 66 -30.304 14.464 -24.708 1.00 0.00 C ATOM 977 O SER A 66 -30.117 14.620 -25.915 1.00 0.00 O ATOM 978 CB SER A 66 -30.849 16.585 -23.499 1.00 0.00 C ATOM 979 OG SER A 66 -31.423 17.657 -24.228 1.00 0.00 O ATOM 0 H SER A 66 -31.551 14.766 -21.940 1.00 0.00 H new ATOM 0 HA SER A 66 -32.219 15.415 -24.670 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.059 16.710 -22.437 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.765 16.602 -23.614 1.00 0.00 H new ATOM 0 HG SER A 66 -31.058 18.506 -23.902 1.00 0.00 H new ATOM 985 N LEU A 67 -29.585 13.627 -23.968 1.00 0.00 N ATOM 986 CA LEU A 67 -28.510 12.826 -24.543 1.00 0.00 C ATOM 987 C LEU A 67 -29.071 11.732 -25.446 1.00 0.00 C ATOM 988 O LEU A 67 -29.870 10.904 -25.012 1.00 0.00 O ATOM 989 CB LEU A 67 -27.662 12.203 -23.434 1.00 0.00 C ATOM 990 CG LEU A 67 -27.097 13.173 -22.396 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.289 12.422 -21.348 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.243 14.237 -23.069 1.00 0.00 C ATOM 0 H LEU A 67 -29.727 13.485 -22.968 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.882 13.483 -25.145 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.267 11.459 -22.915 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.830 11.671 -23.896 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.931 13.667 -21.897 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.895 13.128 -20.618 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.930 11.699 -20.844 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.463 11.900 -21.831 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.849 14.918 -22.315 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.416 13.761 -23.595 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.851 14.796 -23.780 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.643 11.734 -26.705 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.101 10.740 -27.669 1.00 0.00 C ATOM 1006 C ASN A 68 -28.149 9.549 -27.716 1.00 0.00 C ATOM 1007 O ASN A 68 -27.237 9.435 -26.896 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.221 11.366 -29.060 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.536 12.848 -29.002 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.686 13.243 -28.809 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.512 13.678 -29.169 1.00 0.00 N ATOM 0 H ASN A 68 -27.980 12.412 -27.081 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.082 10.386 -27.351 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.288 11.217 -29.604 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -30.003 10.853 -29.620 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.663 14.686 -29.140 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.575 13.307 -29.326 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.367 8.662 -28.681 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.528 7.479 -28.838 1.00 0.00 C ATOM 1020 C LYS A 69 -26.066 7.870 -29.026 1.00 0.00 C ATOM 1021 O LYS A 69 -25.162 7.080 -28.753 1.00 0.00 O ATOM 1022 CB LYS A 69 -28.002 6.647 -30.032 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.520 5.207 -29.999 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.820 4.490 -31.304 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.611 2.988 -31.176 1.00 0.00 C ATOM 1026 NZ LYS A 69 -28.611 2.365 -30.265 1.00 0.00 N ATOM 0 H LYS A 69 -29.118 8.740 -29.367 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.612 6.882 -27.930 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.092 6.656 -30.061 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.655 7.117 -30.952 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.447 5.186 -29.809 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.000 4.680 -29.174 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.849 4.691 -31.603 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.177 4.882 -32.092 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -27.680 2.526 -32.161 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -26.606 2.792 -30.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -28.581 1.331 -30.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.389 2.618 -29.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -29.562 2.710 -30.506 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.840 9.094 -29.492 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.487 9.590 -29.713 1.00 0.00 C ATOM 1042 C ASP A 70 -23.898 10.157 -28.425 1.00 0.00 C ATOM 1043 O ASP A 70 -22.880 9.673 -27.932 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.487 10.663 -30.804 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.474 10.379 -31.895 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.261 10.502 -31.625 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.894 10.034 -33.020 1.00 0.00 O ATOM 0 H ASP A 70 -26.577 9.760 -29.724 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.868 8.753 -30.036 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.482 10.729 -31.244 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.272 11.633 -30.356 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.546 11.185 -27.886 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.085 11.818 -26.656 1.00 0.00 C ATOM 1054 C GLU A 71 -23.866 10.780 -25.559 1.00 0.00 C ATOM 1055 O GLU A 71 -22.879 10.835 -24.825 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.094 12.867 -26.187 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.167 14.088 -27.089 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.920 15.383 -26.340 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.744 15.788 -26.227 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -25.902 15.991 -25.866 1.00 0.00 O ATOM 0 H GLU A 71 -25.391 11.597 -28.282 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.134 12.308 -26.864 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.081 12.409 -26.129 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.831 13.186 -25.178 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.432 13.989 -27.888 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.148 14.128 -27.562 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.794 9.835 -25.454 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.704 8.784 -24.446 1.00 0.00 C ATOM 1069 C LEU A 72 -23.561 7.824 -24.761 1.00 0.00 C ATOM 1070 O LEU A 72 -22.884 7.331 -23.859 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.024 8.015 -24.364 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.109 8.636 -23.485 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.485 8.405 -24.091 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.043 8.068 -22.075 1.00 0.00 C ATOM 0 H LEU A 72 -25.617 9.775 -26.054 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.504 9.254 -23.483 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.421 7.905 -25.373 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.814 7.012 -23.993 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.935 9.711 -23.431 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.244 8.854 -23.451 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.528 8.861 -25.080 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.670 7.334 -24.177 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.823 8.522 -21.463 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.191 6.989 -22.110 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.068 8.286 -21.640 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.351 7.564 -26.048 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.290 6.663 -26.482 1.00 0.00 C ATOM 1088 C ARG A 73 -20.917 7.275 -26.218 1.00 0.00 C ATOM 1089 O ARG A 73 -19.923 6.561 -26.081 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.441 6.344 -27.971 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.277 5.553 -28.544 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.744 4.557 -29.595 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.698 3.601 -29.946 1.00 0.00 N ATOM 1094 CZ ARG A 73 -19.680 3.887 -30.751 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -19.572 5.096 -31.284 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -18.767 2.963 -31.023 1.00 0.00 N ATOM 0 H ARG A 73 -23.901 7.964 -26.808 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.373 5.739 -25.909 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.362 5.781 -28.122 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.544 7.277 -28.525 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.553 6.237 -28.986 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.765 5.023 -27.741 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.616 4.020 -29.223 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.059 5.095 -30.489 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.751 2.662 -29.552 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -20.271 5.809 -31.077 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.790 5.313 -31.902 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.846 2.032 -30.614 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.986 3.184 -31.641 1.00 0.00 H new ATOM 1110 N THR A 74 -20.869 8.601 -26.150 1.00 0.00 N ATOM 1111 CA THR A 74 -19.618 9.309 -25.905 1.00 0.00 C ATOM 1112 C THR A 74 -19.269 9.310 -24.421 1.00 0.00 C ATOM 1113 O THR A 74 -18.136 9.017 -24.039 1.00 0.00 O ATOM 1114 CB THR A 74 -19.689 10.764 -26.405 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.049 11.126 -26.669 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.857 10.943 -27.666 1.00 0.00 C ATOM 0 H THR A 74 -21.682 9.207 -26.261 1.00 0.00 H new ATOM 0 HA THR A 74 -18.842 8.780 -26.458 1.00 0.00 H new ATOM 0 HB THR A 74 -19.286 11.413 -25.627 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.501 11.337 -25.825 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.922 11.978 -28.001 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.817 10.695 -27.454 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.235 10.284 -28.448 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.250 9.642 -23.587 1.00 0.00 N ATOM 1125 CA VAL A 75 -20.046 9.680 -22.144 1.00 0.00 C ATOM 1126 C VAL A 75 -19.746 8.290 -21.595 1.00 0.00 C ATOM 1127 O VAL A 75 -18.940 8.135 -20.676 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.279 10.251 -21.418 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.518 9.432 -21.744 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -21.039 10.296 -19.916 1.00 0.00 C ATOM 0 H VAL A 75 -21.193 9.888 -23.886 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.192 10.332 -21.962 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.445 11.270 -21.767 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.379 9.851 -21.222 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.698 9.457 -22.819 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.367 8.401 -21.425 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.920 10.702 -19.419 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.847 9.288 -19.548 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.178 10.930 -19.704 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.398 7.282 -22.163 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.201 5.903 -21.730 1.00 0.00 C ATOM 1142 C CYS A 76 -20.289 4.944 -22.913 1.00 0.00 C ATOM 1143 O CYS A 76 -20.930 5.225 -23.926 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.239 5.525 -20.674 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.952 5.698 -21.227 1.00 0.00 S ATOM 0 H CYS A 76 -21.068 7.393 -22.924 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.205 5.824 -21.294 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -21.070 4.493 -20.367 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -21.088 6.148 -19.793 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.984 6.381 -22.333 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.628 3.783 -22.785 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.616 2.759 -23.834 1.00 0.00 C ATOM 1153 C PRO A 77 -20.972 2.082 -24.000 1.00 0.00 C ATOM 1154 O PRO A 77 -21.274 1.529 -25.056 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.573 1.755 -23.337 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.558 1.926 -21.857 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.844 3.381 -21.606 1.00 0.00 C ATOM 0 HA PRO A 77 -19.389 3.181 -24.813 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.841 0.736 -23.615 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.593 1.956 -23.769 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.309 1.293 -21.383 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.592 1.641 -21.441 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.404 3.527 -20.682 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.926 3.961 -21.517 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.785 2.131 -22.949 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.109 1.522 -22.980 1.00 0.00 C ATOM 1167 C GLU A 78 -24.173 2.549 -23.355 1.00 0.00 C ATOM 1168 O GLU A 78 -25.352 2.377 -23.051 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.441 0.901 -21.621 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.402 -0.098 -21.139 1.00 0.00 C ATOM 1171 CD GLU A 78 -21.961 -1.054 -22.230 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.593 -2.120 -22.377 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.983 -0.734 -22.938 1.00 0.00 O ATOM 0 H GLU A 78 -21.550 2.586 -22.067 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.102 0.739 -23.738 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.539 1.696 -20.882 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.409 0.404 -21.685 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.533 0.441 -20.761 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.811 -0.668 -20.305 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.746 3.620 -24.018 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.673 4.660 -24.423 1.00 0.00 C ATOM 1182 C GLY A 79 -25.809 4.126 -25.272 1.00 0.00 C ATOM 1183 O GLY A 79 -26.979 4.288 -24.928 1.00 0.00 O ATOM 0 H GLY A 79 -22.775 3.785 -24.282 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.083 5.143 -23.536 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.134 5.425 -24.982 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.464 3.487 -26.385 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.465 2.926 -27.285 1.00 0.00 C ATOM 1189 C ALA A 80 -27.449 2.040 -26.529 1.00 0.00 C ATOM 1190 O ALA A 80 -28.612 1.920 -26.913 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.791 2.138 -28.398 1.00 0.00 C ATOM 0 H ALA A 80 -24.500 3.345 -26.685 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.024 3.751 -27.726 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.550 1.725 -29.062 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.133 2.798 -28.964 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.206 1.326 -27.966 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.975 1.422 -25.452 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.813 0.545 -24.643 1.00 0.00 C ATOM 1199 C ARG A 81 -28.672 1.355 -23.676 1.00 0.00 C ATOM 1200 O ARG A 81 -29.798 0.972 -23.359 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.948 -0.447 -23.864 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.053 -1.300 -24.749 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.740 -2.594 -25.153 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.627 -2.850 -26.587 1.00 0.00 N ATOM 1205 CZ ARG A 81 -27.055 -3.963 -27.171 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -27.623 -4.918 -26.449 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -26.917 -4.121 -28.481 1.00 0.00 N ATOM 0 H ARG A 81 -26.015 1.512 -25.119 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.472 -0.007 -25.314 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.327 0.103 -23.156 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.596 -1.100 -23.280 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.780 -0.738 -25.642 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.127 -1.528 -24.220 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.301 -3.425 -24.601 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.793 -2.547 -24.875 1.00 0.00 H new ATOM 0 HE ARG A 81 -26.196 -2.134 -27.172 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -27.732 -4.799 -25.442 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -27.951 -5.772 -26.900 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -26.482 -3.387 -29.040 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -27.246 -4.976 -28.929 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.133 2.477 -23.211 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.850 3.342 -22.281 1.00 0.00 C ATOM 1223 C VAL A 82 -29.951 4.120 -22.992 1.00 0.00 C ATOM 1224 O VAL A 82 -31.093 4.160 -22.533 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.897 4.336 -21.590 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.667 5.245 -20.645 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.797 3.591 -20.849 1.00 0.00 C ATOM 0 H VAL A 82 -27.202 2.809 -23.463 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.296 2.694 -21.526 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.432 4.958 -22.355 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.977 5.940 -20.166 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.414 5.805 -21.207 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.162 4.643 -19.883 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.133 4.308 -20.367 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.242 2.943 -20.093 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.227 2.987 -21.555 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.600 4.738 -24.114 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.559 5.518 -24.889 1.00 0.00 C ATOM 1239 C TYR A 83 -31.800 4.691 -25.210 1.00 0.00 C ATOM 1240 O TYR A 83 -32.927 5.170 -25.087 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.915 6.016 -26.184 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.868 6.769 -27.083 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.289 8.053 -26.762 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.347 6.197 -28.256 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.161 8.745 -27.581 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.218 6.882 -29.081 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.622 8.155 -28.739 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.489 8.842 -29.558 1.00 0.00 O ATOM 0 H TYR A 83 -28.659 4.714 -24.507 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.861 6.376 -24.288 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.074 6.664 -25.936 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.511 5.164 -26.730 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.929 8.519 -25.857 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -31.033 5.200 -28.527 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.480 9.742 -27.316 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.580 6.423 -29.989 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.717 8.286 -30.332 1.00 0.00 H new ATOM 1258 N SER A 84 -31.584 3.446 -25.623 1.00 0.00 N ATOM 1259 CA SER A 84 -32.684 2.553 -25.965 1.00 0.00 C ATOM 1260 C SER A 84 -33.622 2.366 -24.776 1.00 0.00 C ATOM 1261 O SER A 84 -34.791 2.018 -24.944 1.00 0.00 O ATOM 1262 CB SER A 84 -32.144 1.196 -26.422 1.00 0.00 C ATOM 1263 OG SER A 84 -31.330 1.333 -27.574 1.00 0.00 O ATOM 0 H SER A 84 -30.657 3.033 -25.729 1.00 0.00 H new ATOM 0 HA SER A 84 -33.247 3.006 -26.781 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.567 0.741 -25.617 1.00 0.00 H new ATOM 0 HB3 SER A 84 -32.975 0.524 -26.638 1.00 0.00 H new ATOM 0 HG SER A 84 -30.407 1.519 -27.302 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.100 2.598 -23.576 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.891 2.455 -22.359 1.00 0.00 C ATOM 1271 C GLN A 85 -34.565 3.772 -21.990 1.00 0.00 C ATOM 1272 O GLN A 85 -35.574 3.787 -21.284 1.00 0.00 O ATOM 1273 CB GLN A 85 -33.006 1.979 -21.205 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.735 0.484 -21.224 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.007 -0.340 -21.264 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.444 -0.776 -22.330 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.608 -0.559 -20.101 1.00 0.00 N ATOM 0 H GLN A 85 -32.134 2.886 -23.420 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.666 1.712 -22.544 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.056 2.513 -21.242 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.482 2.242 -20.260 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.122 0.241 -22.092 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.158 0.212 -20.340 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.211 -0.179 -19.242 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.467 -1.108 -20.066 1.00 0.00 H new ATOM 1286 N ILE A 86 -34.001 4.875 -22.470 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.549 6.196 -22.190 1.00 0.00 C ATOM 1288 C ILE A 86 -35.612 6.579 -23.214 1.00 0.00 C ATOM 1289 O ILE A 86 -36.581 7.267 -22.893 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.447 7.273 -22.185 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.373 6.929 -21.150 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.046 8.642 -21.900 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.058 7.637 -21.386 1.00 0.00 C ATOM 0 H ILE A 86 -33.165 4.880 -23.054 1.00 0.00 H new ATOM 0 HA ILE A 86 -35.002 6.146 -21.200 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.981 7.300 -23.170 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.742 7.186 -20.157 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.203 5.852 -21.158 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.255 9.392 -21.900 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.778 8.886 -22.670 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.535 8.630 -20.926 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.345 7.346 -20.615 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.667 7.361 -22.365 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.213 8.715 -21.348 1.00 0.00 H new ATOM 1305 N THR A 87 -35.426 6.126 -24.450 1.00 0.00 N ATOM 1306 CA THR A 87 -36.368 6.420 -25.522 1.00 0.00 C ATOM 1307 C THR A 87 -37.785 6.013 -25.135 1.00 0.00 C ATOM 1308 O THR A 87 -38.754 6.687 -25.486 1.00 0.00 O ATOM 1309 CB THR A 87 -35.978 5.699 -26.827 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.921 6.010 -27.859 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.925 4.194 -26.618 1.00 0.00 C ATOM 0 H THR A 87 -34.631 5.554 -24.733 1.00 0.00 H new ATOM 0 HA THR A 87 -36.333 7.497 -25.686 1.00 0.00 H new ATOM 0 HB THR A 87 -34.988 6.043 -27.125 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.665 5.549 -28.685 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.648 3.706 -27.553 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.185 3.959 -25.853 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.904 3.836 -26.299 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.901 4.906 -24.407 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.200 4.411 -23.970 1.00 0.00 C ATOM 1321 C VAL A 88 -39.819 5.336 -22.928 1.00 0.00 C ATOM 1322 O VAL A 88 -41.038 5.379 -22.770 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.090 2.992 -23.381 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.231 3.000 -22.126 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.472 2.429 -23.086 1.00 0.00 C ATOM 0 H VAL A 88 -37.110 4.336 -24.108 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.841 4.382 -24.851 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.610 2.348 -24.118 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.165 1.989 -21.724 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.232 3.359 -22.371 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.680 3.658 -21.382 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.375 1.426 -22.671 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.981 3.072 -22.368 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.052 2.385 -24.008 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.969 6.073 -22.220 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.433 6.998 -21.193 1.00 0.00 C ATOM 1337 C GLN A 89 -39.911 8.306 -21.813 1.00 0.00 C ATOM 1338 O GLN A 89 -40.973 8.822 -21.461 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.317 7.276 -20.185 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.648 6.017 -19.656 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.626 5.076 -18.980 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.619 3.871 -19.230 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.475 5.624 -18.118 1.00 0.00 N ATOM 0 H GLN A 89 -37.956 6.047 -22.339 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.273 6.534 -20.676 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.563 7.908 -20.655 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.728 7.839 -19.347 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -37.159 5.497 -20.480 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.868 6.295 -18.947 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.445 6.628 -17.941 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.157 5.041 -17.633 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.121 8.840 -22.739 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.463 10.088 -23.411 1.00 0.00 C ATOM 1354 C LYS A 90 -40.752 9.939 -24.212 1.00 0.00 C ATOM 1355 O LYS A 90 -41.589 10.841 -24.232 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.323 10.523 -24.334 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.079 10.979 -23.591 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.823 10.755 -24.417 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.762 11.701 -25.606 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.524 11.176 -26.772 1.00 0.00 N ATOM 0 H LYS A 90 -38.239 8.427 -23.041 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.616 10.852 -22.649 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.061 9.693 -24.990 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.673 11.335 -24.972 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.169 12.037 -23.344 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -36.998 10.437 -22.649 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -34.943 10.900 -23.790 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.797 9.724 -24.769 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.163 12.673 -25.318 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.722 11.858 -25.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -35.997 11.370 -27.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.655 10.150 -26.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.453 11.641 -26.817 1.00 0.00 H new