USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 465 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 Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 32 THR OG1 : rot -155:sc= 0.611 USER MOD Single : A 33 GLN : amide:sc= -1.76 K(o=-1.8,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -2.2 K(o=-2.2,f=-3.1!) USER MOD Single : A 42 ASN : amide:sc= -0.0822 K(o=-0.082,f=-0.7) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -57:sc= 0.968! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -81:sc= 1.22 USER MOD Single : A 55 MET CE :methyl 153:sc= -1.56! (180deg=-2.81!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00508) USER MOD Single : A 65 GLN : amide:sc= -5.85! K(o=-5.9!,f=-0.37) USER MOD Single : A 67 TYR OH : rot 150:sc= -0.149 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -117:sc= 0.0692 (180deg=-0.493) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.509 3.072 5.780 1.00 0.00 N ATOM 307 CA PRO A 21 -4.533 4.057 5.419 1.00 0.00 C ATOM 308 C PRO A 21 -4.916 4.953 6.592 1.00 0.00 C ATOM 309 O PRO A 21 -4.416 4.784 7.704 1.00 0.00 O ATOM 310 CB PRO A 21 -5.723 3.192 4.996 1.00 0.00 C ATOM 311 CG PRO A 21 -5.530 1.903 5.718 1.00 0.00 C ATOM 312 CD PRO A 21 -4.043 1.700 5.813 1.00 0.00 C ATOM 0 HA PRO A 21 -4.186 4.739 4.643 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.669 3.660 5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.740 3.042 3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.983 1.939 6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.003 1.080 5.181 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.766 1.183 6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.665 1.102 4.984 1.00 0.00 H new ATOM 320 N VAL A 22 -5.807 5.906 6.337 1.00 0.00 N ATOM 321 CA VAL A 22 -6.258 6.828 7.372 1.00 0.00 C ATOM 322 C VAL A 22 -7.780 6.888 7.430 1.00 0.00 C ATOM 323 O VAL A 22 -8.461 6.589 6.449 1.00 0.00 O ATOM 324 CB VAL A 22 -5.707 8.247 7.139 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.192 8.218 7.006 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.346 8.870 5.907 1.00 0.00 C ATOM 0 H VAL A 22 -6.231 6.059 5.422 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.876 6.450 8.320 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.960 8.862 8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.822 9.230 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.754 7.815 7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.913 7.588 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.945 9.873 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.126 8.257 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.425 8.928 6.047 1.00 0.00 H new ATOM 336 N SER A 23 -8.308 7.277 8.586 1.00 0.00 N ATOM 337 CA SER A 23 -9.751 7.374 8.773 1.00 0.00 C ATOM 338 C SER A 23 -10.401 8.121 7.612 1.00 0.00 C ATOM 339 O SER A 23 -9.728 8.823 6.857 1.00 0.00 O ATOM 340 CB SER A 23 -10.070 8.081 10.091 1.00 0.00 C ATOM 341 OG SER A 23 -11.018 7.348 10.847 1.00 0.00 O ATOM 0 H SER A 23 -7.758 7.530 9.407 1.00 0.00 H new ATOM 0 HA SER A 23 -10.156 6.363 8.804 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.156 8.205 10.671 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.457 9.080 9.887 1.00 0.00 H new ATOM 0 HG SER A 23 -11.203 7.820 11.685 1.00 0.00 H new ATOM 347 N ALA A 24 -11.713 7.964 7.476 1.00 0.00 N ATOM 348 CA ALA A 24 -12.455 8.625 6.409 1.00 0.00 C ATOM 349 C ALA A 24 -12.114 10.109 6.341 1.00 0.00 C ATOM 350 O ALA A 24 -11.590 10.590 5.336 1.00 0.00 O ATOM 351 CB ALA A 24 -13.951 8.434 6.610 1.00 0.00 C ATOM 0 H ALA A 24 -12.285 7.385 8.091 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.165 8.169 5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.493 8.933 5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.186 7.370 6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.247 8.863 7.567 1.00 0.00 H new ATOM 357 N TYR A 25 -12.414 10.830 7.415 1.00 0.00 N ATOM 358 CA TYR A 25 -12.142 12.262 7.476 1.00 0.00 C ATOM 359 C TYR A 25 -10.658 12.543 7.259 1.00 0.00 C ATOM 360 O TYR A 25 -10.277 13.637 6.843 1.00 0.00 O ATOM 361 CB TYR A 25 -12.589 12.830 8.824 1.00 0.00 C ATOM 362 CG TYR A 25 -11.998 14.187 9.135 1.00 0.00 C ATOM 363 CD1 TYR A 25 -12.059 15.222 8.210 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.378 14.433 10.354 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.519 16.462 8.490 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.837 15.671 10.643 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.910 16.682 9.707 1.00 0.00 C ATOM 368 OH TYR A 25 -10.372 17.917 9.990 1.00 0.00 O ATOM 0 H TYR A 25 -12.846 10.447 8.256 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.706 12.748 6.680 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.676 12.905 8.834 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.310 12.132 9.613 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.537 15.054 7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.318 13.643 11.088 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.574 17.255 7.759 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.360 15.846 11.596 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.982 17.906 10.889 1.00 0.00 H new ATOM 378 N ALA A 26 -9.826 11.548 7.545 1.00 0.00 N ATOM 379 CA ALA A 26 -8.384 11.686 7.379 1.00 0.00 C ATOM 380 C ALA A 26 -7.987 11.574 5.911 1.00 0.00 C ATOM 381 O ALA A 26 -7.105 12.293 5.439 1.00 0.00 O ATOM 382 CB ALA A 26 -7.655 10.638 8.206 1.00 0.00 C ATOM 0 H ALA A 26 -10.125 10.637 7.893 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.096 12.676 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.579 10.753 8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.906 10.766 9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.957 9.643 7.880 1.00 0.00 H new ATOM 388 N LEU A 27 -8.642 10.669 5.193 1.00 0.00 N ATOM 389 CA LEU A 27 -8.357 10.462 3.777 1.00 0.00 C ATOM 390 C LEU A 27 -8.530 11.758 2.992 1.00 0.00 C ATOM 391 O LEU A 27 -7.903 11.955 1.951 1.00 0.00 O ATOM 392 CB LEU A 27 -9.272 9.379 3.205 1.00 0.00 C ATOM 393 CG LEU A 27 -8.690 7.966 3.152 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.786 6.929 3.340 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.959 7.740 1.837 1.00 0.00 C ATOM 0 H LEU A 27 -9.375 10.066 5.568 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.320 10.138 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.185 9.352 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.558 9.670 2.194 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.974 7.858 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.352 5.930 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.265 7.077 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.527 7.035 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.551 6.729 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.655 7.868 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.147 8.461 1.744 1.00 0.00 H new ATOM 407 N PHE A 28 -9.384 12.641 3.500 1.00 0.00 N ATOM 408 CA PHE A 28 -9.639 13.920 2.847 1.00 0.00 C ATOM 409 C PHE A 28 -8.676 14.990 3.351 1.00 0.00 C ATOM 410 O PHE A 28 -8.508 16.036 2.723 1.00 0.00 O ATOM 411 CB PHE A 28 -11.084 14.362 3.091 1.00 0.00 C ATOM 412 CG PHE A 28 -11.312 15.826 2.848 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.421 16.319 1.557 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.417 16.711 3.909 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.630 17.666 1.331 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.627 18.059 3.689 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.734 18.537 2.398 1.00 0.00 C ATOM 0 H PHE A 28 -9.911 12.494 4.361 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.482 13.791 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.746 13.787 2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.359 14.125 4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.342 15.643 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.334 16.343 4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.712 18.038 0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.707 18.738 4.525 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.899 19.590 2.223 1.00 0.00 H new ATOM 427 N PHE A 29 -8.045 14.721 4.489 1.00 0.00 N ATOM 428 CA PHE A 29 -7.099 15.661 5.079 1.00 0.00 C ATOM 429 C PHE A 29 -5.772 15.642 4.326 1.00 0.00 C ATOM 430 O PHE A 29 -5.122 16.675 4.166 1.00 0.00 O ATOM 431 CB PHE A 29 -6.866 15.324 6.554 1.00 0.00 C ATOM 432 CG PHE A 29 -5.806 16.169 7.201 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.465 15.938 6.942 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.151 17.192 8.069 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.486 16.713 7.536 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.177 17.971 8.665 1.00 0.00 C ATOM 437 CZ PHE A 29 -3.843 17.730 8.400 1.00 0.00 C ATOM 0 H PHE A 29 -8.172 13.860 5.021 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.525 16.662 5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.802 15.448 7.099 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.585 14.274 6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.181 15.143 6.268 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.192 17.383 8.282 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.444 16.524 7.325 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.459 18.768 9.338 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.081 18.335 8.867 1.00 0.00 H new ATOM 447 N ARG A 30 -5.375 14.459 3.868 1.00 0.00 N ATOM 448 CA ARG A 30 -4.125 14.304 3.134 1.00 0.00 C ATOM 449 C ARG A 30 -4.304 14.688 1.668 1.00 0.00 C ATOM 450 O ARG A 30 -3.348 15.074 0.995 1.00 0.00 O ATOM 451 CB ARG A 30 -3.624 12.862 3.236 1.00 0.00 C ATOM 452 CG ARG A 30 -4.603 11.837 2.688 1.00 0.00 C ATOM 453 CD ARG A 30 -3.919 10.864 1.741 1.00 0.00 C ATOM 454 NE ARG A 30 -3.807 11.403 0.389 1.00 0.00 N ATOM 455 CZ ARG A 30 -3.404 10.689 -0.656 1.00 0.00 C ATOM 456 NH1 ARG A 30 -3.077 9.413 -0.505 1.00 0.00 N ATOM 457 NH2 ARG A 30 -3.328 11.251 -1.856 1.00 0.00 N ATOM 0 H ARG A 30 -5.901 13.594 3.992 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.387 14.971 3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.681 12.775 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.417 12.631 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.055 11.286 3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.412 12.348 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.925 10.627 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.480 9.930 1.713 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.052 12.382 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.135 8.977 0.415 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.768 8.867 -1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.579 12.232 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.018 10.702 -2.658 1.00 0.00 H new ATOM 471 N ASP A 31 -5.535 14.580 1.179 1.00 0.00 N ATOM 472 CA ASP A 31 -5.840 14.917 -0.206 1.00 0.00 C ATOM 473 C ASP A 31 -5.980 16.426 -0.381 1.00 0.00 C ATOM 474 O ASP A 31 -5.666 16.972 -1.439 1.00 0.00 O ATOM 475 CB ASP A 31 -7.125 14.218 -0.652 1.00 0.00 C ATOM 476 CG ASP A 31 -6.896 13.267 -1.810 1.00 0.00 C ATOM 477 OD1 ASP A 31 -6.837 13.741 -2.964 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.775 12.049 -1.563 1.00 0.00 O ATOM 0 H ASP A 31 -6.338 14.262 1.722 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.014 14.573 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.546 13.667 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.861 14.968 -0.942 1.00 0.00 H new ATOM 483 N THR A 32 -6.455 17.096 0.665 1.00 0.00 N ATOM 484 CA THR A 32 -6.639 18.541 0.627 1.00 0.00 C ATOM 485 C THR A 32 -5.388 19.268 1.108 1.00 0.00 C ATOM 486 O THR A 32 -4.898 20.183 0.447 1.00 0.00 O ATOM 487 CB THR A 32 -7.837 18.978 1.491 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.956 18.119 1.247 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.222 20.419 1.193 1.00 0.00 C ATOM 0 H THR A 32 -6.719 16.660 1.549 1.00 0.00 H new ATOM 0 HA THR A 32 -6.834 18.807 -0.412 1.00 0.00 H new ATOM 0 HB THR A 32 -7.547 18.906 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.786 18.595 1.457 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.070 20.705 1.815 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.377 21.073 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.495 20.513 0.142 1.00 0.00 H new ATOM 497 N GLN A 33 -4.876 18.853 2.262 1.00 0.00 N ATOM 498 CA GLN A 33 -3.681 19.466 2.831 1.00 0.00 C ATOM 499 C GLN A 33 -2.693 19.852 1.735 1.00 0.00 C ATOM 500 O GLN A 33 -2.288 21.009 1.631 1.00 0.00 O ATOM 501 CB GLN A 33 -3.014 18.509 3.822 1.00 0.00 C ATOM 502 CG GLN A 33 -1.598 18.913 4.198 1.00 0.00 C ATOM 503 CD GLN A 33 -0.579 17.837 3.876 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.262 16.996 4.717 1.00 0.00 O ATOM 505 NE2 GLN A 33 -0.061 17.858 2.654 1.00 0.00 N ATOM 0 H GLN A 33 -5.269 18.096 2.821 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.983 20.371 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.620 18.455 4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.995 17.508 3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.333 19.829 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.559 19.138 5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.353 18.574 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.629 17.158 2.380 1.00 0.00 H new ATOM 514 N ALA A 34 -2.308 18.874 0.921 1.00 0.00 N ATOM 515 CA ALA A 34 -1.369 19.113 -0.168 1.00 0.00 C ATOM 516 C ALA A 34 -1.731 20.378 -0.939 1.00 0.00 C ATOM 517 O ALA A 34 -0.863 21.187 -1.265 1.00 0.00 O ATOM 518 CB ALA A 34 -1.332 17.914 -1.105 1.00 0.00 C ATOM 0 H ALA A 34 -2.632 17.910 0.995 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.378 19.254 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.627 18.106 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.017 17.029 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.325 17.747 -1.522 1.00 0.00 H new ATOM 524 N ALA A 35 -3.018 20.541 -1.227 1.00 0.00 N ATOM 525 CA ALA A 35 -3.495 21.709 -1.959 1.00 0.00 C ATOM 526 C ALA A 35 -3.460 22.957 -1.083 1.00 0.00 C ATOM 527 O ALA A 35 -3.165 24.053 -1.561 1.00 0.00 O ATOM 528 CB ALA A 35 -4.903 21.466 -2.480 1.00 0.00 C ATOM 0 H ALA A 35 -3.749 19.880 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.830 21.873 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.246 22.346 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.900 20.604 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.573 21.273 -1.642 1.00 0.00 H new ATOM 534 N ILE A 36 -3.763 22.783 0.199 1.00 0.00 N ATOM 535 CA ILE A 36 -3.765 23.896 1.140 1.00 0.00 C ATOM 536 C ILE A 36 -2.386 24.540 1.233 1.00 0.00 C ATOM 537 O ILE A 36 -2.235 25.744 1.022 1.00 0.00 O ATOM 538 CB ILE A 36 -4.204 23.444 2.545 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.572 22.760 2.481 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.244 24.631 3.496 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.697 23.696 2.098 1.00 0.00 C ATOM 0 H ILE A 36 -4.010 21.883 0.610 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.480 24.627 0.762 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.476 22.725 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.528 21.944 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.793 22.316 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.556 24.295 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.252 25.079 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.952 25.371 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.637 23.144 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.768 24.499 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.498 24.120 1.114 1.00 0.00 H new ATOM 553 N LYS A 37 -1.381 23.731 1.549 1.00 0.00 N ATOM 554 CA LYS A 37 -0.013 24.220 1.667 1.00 0.00 C ATOM 555 C LYS A 37 0.423 24.932 0.390 1.00 0.00 C ATOM 556 O LYS A 37 0.825 26.095 0.423 1.00 0.00 O ATOM 557 CB LYS A 37 0.941 23.061 1.967 1.00 0.00 C ATOM 558 CG LYS A 37 1.922 23.355 3.088 1.00 0.00 C ATOM 559 CD LYS A 37 2.087 22.160 4.012 1.00 0.00 C ATOM 560 CE LYS A 37 3.547 21.935 4.376 1.00 0.00 C ATOM 561 NZ LYS A 37 3.744 21.854 5.850 1.00 0.00 N ATOM 0 H LYS A 37 -1.488 22.733 1.728 1.00 0.00 H new ATOM 0 HA LYS A 37 0.021 24.934 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.357 22.179 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.498 22.817 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.889 23.625 2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.574 24.214 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.505 22.317 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.689 21.267 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.900 21.014 3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.151 22.747 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.751 21.700 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.431 22.742 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.187 21.063 6.232 1.00 0.00 H new ATOM 575 N GLY A 38 0.339 24.228 -0.734 1.00 0.00 N ATOM 576 CA GLY A 38 0.726 24.810 -2.005 1.00 0.00 C ATOM 577 C GLY A 38 0.269 26.249 -2.147 1.00 0.00 C ATOM 578 O GLY A 38 0.882 27.033 -2.871 1.00 0.00 O ATOM 0 H GLY A 38 0.010 23.264 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.810 24.765 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.305 24.216 -2.816 1.00 0.00 H new ATOM 582 N GLN A 39 -0.813 26.595 -1.457 1.00 0.00 N ATOM 583 CA GLN A 39 -1.353 27.948 -1.512 1.00 0.00 C ATOM 584 C GLN A 39 -1.013 28.722 -0.243 1.00 0.00 C ATOM 585 O GLN A 39 -0.985 29.952 -0.243 1.00 0.00 O ATOM 586 CB GLN A 39 -2.869 27.907 -1.708 1.00 0.00 C ATOM 587 CG GLN A 39 -3.291 27.748 -3.160 1.00 0.00 C ATOM 588 CD GLN A 39 -4.765 28.032 -3.374 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.176 29.186 -3.498 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.571 26.977 -3.418 1.00 0.00 N ATOM 0 H GLN A 39 -1.333 25.957 -0.854 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.898 28.459 -2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.280 27.082 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.303 28.824 -1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.701 28.422 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.069 26.733 -3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.188 26.038 -3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.573 27.106 -3.559 1.00 0.00 H new ATOM 599 N ASN A 40 -0.756 27.993 0.838 1.00 0.00 N ATOM 600 CA ASN A 40 -0.419 28.611 2.115 1.00 0.00 C ATOM 601 C ASN A 40 0.532 27.725 2.914 1.00 0.00 C ATOM 602 O ASN A 40 0.132 27.014 3.836 1.00 0.00 O ATOM 603 CB ASN A 40 -1.688 28.878 2.927 1.00 0.00 C ATOM 604 CG ASN A 40 -2.906 29.082 2.047 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.945 29.998 1.225 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.907 28.226 2.215 1.00 0.00 N ATOM 0 H ASN A 40 -0.775 26.973 0.855 1.00 0.00 H new ATOM 0 HA ASN A 40 0.080 29.558 1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.867 28.041 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.540 29.762 3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.752 28.312 1.651 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.831 27.482 2.908 1.00 0.00 H new ATOM 613 N PRO A 41 1.824 27.769 2.554 1.00 0.00 N ATOM 614 CA PRO A 41 2.860 26.978 3.225 1.00 0.00 C ATOM 615 C PRO A 41 3.137 27.468 4.642 1.00 0.00 C ATOM 616 O PRO A 41 3.538 26.694 5.510 1.00 0.00 O ATOM 617 CB PRO A 41 4.091 27.181 2.339 1.00 0.00 C ATOM 618 CG PRO A 41 3.859 28.488 1.662 1.00 0.00 C ATOM 619 CD PRO A 41 2.372 28.594 1.465 1.00 0.00 C ATOM 0 HA PRO A 41 2.566 25.934 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.006 27.199 2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.195 26.373 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.232 29.313 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.383 28.532 0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.030 29.627 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.069 28.221 0.487 1.00 0.00 H new ATOM 627 N ASN A 42 2.919 28.760 4.870 1.00 0.00 N ATOM 628 CA ASN A 42 3.146 29.353 6.183 1.00 0.00 C ATOM 629 C ASN A 42 2.236 28.719 7.231 1.00 0.00 C ATOM 630 O ASN A 42 2.607 28.601 8.398 1.00 0.00 O ATOM 631 CB ASN A 42 2.907 30.864 6.131 1.00 0.00 C ATOM 632 CG ASN A 42 4.188 31.645 5.913 1.00 0.00 C ATOM 633 OD1 ASN A 42 5.221 31.344 6.512 1.00 0.00 O ATOM 634 ND2 ASN A 42 4.127 32.654 5.052 1.00 0.00 N ATOM 0 H ASN A 42 2.586 29.415 4.163 1.00 0.00 H new ATOM 0 HA ASN A 42 4.182 29.165 6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.206 31.091 5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.441 31.188 7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.958 33.215 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.249 32.868 4.578 1.00 0.00 H new ATOM 641 N ALA A 43 1.045 28.312 6.804 1.00 0.00 N ATOM 642 CA ALA A 43 0.084 27.688 7.705 1.00 0.00 C ATOM 643 C ALA A 43 0.675 26.445 8.362 1.00 0.00 C ATOM 644 O ALA A 43 0.817 25.400 7.726 1.00 0.00 O ATOM 645 CB ALA A 43 -1.191 27.334 6.953 1.00 0.00 C ATOM 0 H ALA A 43 0.723 28.403 5.841 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.157 28.403 8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.900 26.869 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.631 28.240 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.957 26.639 6.146 1.00 0.00 H new ATOM 651 N THR A 44 1.019 26.565 9.641 1.00 0.00 N ATOM 652 CA THR A 44 1.597 25.453 10.384 1.00 0.00 C ATOM 653 C THR A 44 0.638 24.269 10.436 1.00 0.00 C ATOM 654 O THR A 44 -0.553 24.410 10.158 1.00 0.00 O ATOM 655 CB THR A 44 1.961 25.867 11.823 1.00 0.00 C ATOM 656 OG1 THR A 44 0.830 26.473 12.459 1.00 0.00 O ATOM 657 CG2 THR A 44 3.132 26.838 11.826 1.00 0.00 C ATOM 0 H THR A 44 0.907 27.422 10.183 1.00 0.00 H new ATOM 0 HA THR A 44 2.505 25.159 9.857 1.00 0.00 H new ATOM 0 HB THR A 44 2.250 24.972 12.374 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.069 26.732 13.374 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.371 27.116 12.852 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.999 26.363 11.367 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.866 27.731 11.261 1.00 0.00 H new ATOM 665 N PHE A 45 1.164 23.102 10.794 1.00 0.00 N ATOM 666 CA PHE A 45 0.353 21.893 10.882 1.00 0.00 C ATOM 667 C PHE A 45 -1.026 22.203 11.456 1.00 0.00 C ATOM 668 O PHE A 45 -2.048 21.935 10.825 1.00 0.00 O ATOM 669 CB PHE A 45 1.055 20.845 11.748 1.00 0.00 C ATOM 670 CG PHE A 45 0.595 19.441 11.481 1.00 0.00 C ATOM 671 CD1 PHE A 45 0.854 18.832 10.263 1.00 0.00 C ATOM 672 CD2 PHE A 45 -0.097 18.728 12.448 1.00 0.00 C ATOM 673 CE1 PHE A 45 0.430 17.540 10.015 1.00 0.00 C ATOM 674 CE2 PHE A 45 -0.522 17.436 12.205 1.00 0.00 C ATOM 675 CZ PHE A 45 -0.257 16.841 10.987 1.00 0.00 C ATOM 0 H PHE A 45 2.148 22.968 11.028 1.00 0.00 H new ATOM 0 HA PHE A 45 0.226 21.496 9.875 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.130 20.905 11.577 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.885 21.081 12.799 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.393 19.373 9.499 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.306 19.188 13.402 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.636 17.078 9.061 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.061 16.892 12.967 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.587 15.831 10.795 1.00 0.00 H new ATOM 685 N GLY A 46 -1.046 22.770 12.658 1.00 0.00 N ATOM 686 CA GLY A 46 -2.304 23.107 13.299 1.00 0.00 C ATOM 687 C GLY A 46 -3.206 23.935 12.405 1.00 0.00 C ATOM 688 O GLY A 46 -4.419 23.731 12.378 1.00 0.00 O ATOM 0 H GLY A 46 -0.213 23.002 13.200 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.821 22.190 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.104 23.658 14.218 1.00 0.00 H new ATOM 692 N GLU A 47 -2.613 24.872 11.672 1.00 0.00 N ATOM 693 CA GLU A 47 -3.372 25.734 10.775 1.00 0.00 C ATOM 694 C GLU A 47 -3.982 24.928 9.632 1.00 0.00 C ATOM 695 O GLU A 47 -5.203 24.816 9.519 1.00 0.00 O ATOM 696 CB GLU A 47 -2.475 26.839 10.213 1.00 0.00 C ATOM 697 CG GLU A 47 -2.334 28.038 11.137 1.00 0.00 C ATOM 698 CD GLU A 47 -3.381 29.103 10.875 1.00 0.00 C ATOM 699 OE1 GLU A 47 -3.338 29.723 9.791 1.00 0.00 O ATOM 700 OE2 GLU A 47 -4.244 29.317 11.752 1.00 0.00 O ATOM 0 H GLU A 47 -1.609 25.053 11.682 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.181 26.189 11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.486 26.426 10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.880 27.173 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.411 27.705 12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.342 28.472 11.014 1.00 0.00 H new ATOM 707 N VAL A 48 -3.123 24.370 8.786 1.00 0.00 N ATOM 708 CA VAL A 48 -3.576 23.573 7.651 1.00 0.00 C ATOM 709 C VAL A 48 -4.770 22.705 8.031 1.00 0.00 C ATOM 710 O VAL A 48 -5.690 22.515 7.235 1.00 0.00 O ATOM 711 CB VAL A 48 -2.449 22.671 7.114 1.00 0.00 C ATOM 712 CG1 VAL A 48 -2.962 21.793 5.983 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.267 23.511 6.654 1.00 0.00 C ATOM 0 H VAL A 48 -2.110 24.455 8.864 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.874 24.273 6.871 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.111 22.022 7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.152 21.162 5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.774 21.165 6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.328 22.422 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.480 22.857 6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.587 24.187 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.885 24.092 7.493 1.00 0.00 H new ATOM 723 N SER A 49 -4.750 22.182 9.252 1.00 0.00 N ATOM 724 CA SER A 49 -5.830 21.331 9.737 1.00 0.00 C ATOM 725 C SER A 49 -7.068 22.159 10.067 1.00 0.00 C ATOM 726 O SER A 49 -8.155 21.910 9.545 1.00 0.00 O ATOM 727 CB SER A 49 -5.378 20.552 10.974 1.00 0.00 C ATOM 728 OG SER A 49 -4.129 19.922 10.752 1.00 0.00 O ATOM 0 H SER A 49 -3.998 22.333 9.924 1.00 0.00 H new ATOM 0 HA SER A 49 -6.087 20.626 8.946 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.301 21.228 11.825 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.127 19.802 11.229 1.00 0.00 H new ATOM 0 HG SER A 49 -4.194 19.332 9.972 1.00 0.00 H new ATOM 734 N LYS A 50 -6.895 23.147 10.939 1.00 0.00 N ATOM 735 CA LYS A 50 -7.996 24.015 11.340 1.00 0.00 C ATOM 736 C LYS A 50 -8.861 24.387 10.140 1.00 0.00 C ATOM 737 O LYS A 50 -10.065 24.606 10.276 1.00 0.00 O ATOM 738 CB LYS A 50 -7.456 25.283 12.005 1.00 0.00 C ATOM 739 CG LYS A 50 -8.153 25.631 13.309 1.00 0.00 C ATOM 740 CD LYS A 50 -9.152 26.761 13.124 1.00 0.00 C ATOM 741 CE LYS A 50 -9.625 27.312 14.460 1.00 0.00 C ATOM 742 NZ LYS A 50 -8.945 28.591 14.805 1.00 0.00 N ATOM 0 H LYS A 50 -6.003 23.366 11.382 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.613 23.471 12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.390 25.158 12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.560 26.119 11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.666 24.750 13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.411 25.919 14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.695 27.560 12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.009 26.401 12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.703 27.472 14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.436 26.578 15.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.295 28.934 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.919 28.434 14.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.146 29.300 14.071 1.00 0.00 H new ATOM 756 N ILE A 51 -8.241 24.454 8.968 1.00 0.00 N ATOM 757 CA ILE A 51 -8.956 24.796 7.744 1.00 0.00 C ATOM 758 C ILE A 51 -9.706 23.590 7.191 1.00 0.00 C ATOM 759 O ILE A 51 -10.915 23.648 6.963 1.00 0.00 O ATOM 760 CB ILE A 51 -7.998 25.331 6.663 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.224 26.541 7.190 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.771 25.697 5.405 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.838 26.677 6.598 1.00 0.00 C ATOM 0 H ILE A 51 -7.245 24.276 8.839 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.670 25.577 8.003 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.283 24.547 6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.792 27.446 6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.141 26.465 8.274 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.081 26.073 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.281 24.813 5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.506 26.467 5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.348 27.556 7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.253 25.788 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.913 26.785 5.516 1.00 0.00 H new ATOM 775 N VAL A 52 -8.982 22.496 6.978 1.00 0.00 N ATOM 776 CA VAL A 52 -9.580 21.274 6.454 1.00 0.00 C ATOM 777 C VAL A 52 -10.853 20.916 7.212 1.00 0.00 C ATOM 778 O VAL A 52 -11.892 20.646 6.609 1.00 0.00 O ATOM 779 CB VAL A 52 -8.598 20.090 6.533 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.337 18.771 6.365 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.504 20.234 5.487 1.00 0.00 C ATOM 0 H VAL A 52 -7.981 22.431 7.160 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.825 21.464 5.409 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.130 20.094 7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.627 17.946 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.080 18.667 7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.834 18.753 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.820 19.389 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.951 20.257 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.956 21.160 5.659 1.00 0.00 H new ATOM 791 N ALA A 53 -10.766 20.916 8.538 1.00 0.00 N ATOM 792 CA ALA A 53 -11.912 20.594 9.379 1.00 0.00 C ATOM 793 C ALA A 53 -13.178 21.270 8.864 1.00 0.00 C ATOM 794 O ALA A 53 -14.258 20.679 8.879 1.00 0.00 O ATOM 795 CB ALA A 53 -11.641 21.004 10.819 1.00 0.00 C ATOM 0 H ALA A 53 -9.913 21.135 9.053 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.067 19.516 9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.505 20.758 11.436 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.766 20.471 11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.458 22.078 10.863 1.00 0.00 H new ATOM 801 N SER A 54 -13.038 22.511 8.410 1.00 0.00 N ATOM 802 CA SER A 54 -14.173 23.269 7.894 1.00 0.00 C ATOM 803 C SER A 54 -14.568 22.777 6.505 1.00 0.00 C ATOM 804 O SER A 54 -15.735 22.843 6.121 1.00 0.00 O ATOM 805 CB SER A 54 -13.836 24.760 7.844 1.00 0.00 C ATOM 806 OG SER A 54 -13.159 25.090 6.644 1.00 0.00 O ATOM 0 H SER A 54 -12.151 23.013 8.389 1.00 0.00 H new ATOM 0 HA SER A 54 -15.017 23.117 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.752 25.346 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.215 25.025 8.700 1.00 0.00 H new ATOM 0 HG SER A 54 -12.210 24.859 6.729 1.00 0.00 H new ATOM 812 N MET A 55 -13.586 22.285 5.757 1.00 0.00 N ATOM 813 CA MET A 55 -13.830 21.781 4.411 1.00 0.00 C ATOM 814 C MET A 55 -14.626 20.481 4.453 1.00 0.00 C ATOM 815 O MET A 55 -15.672 20.362 3.815 1.00 0.00 O ATOM 816 CB MET A 55 -12.506 21.559 3.678 1.00 0.00 C ATOM 817 CG MET A 55 -11.512 22.694 3.860 1.00 0.00 C ATOM 818 SD MET A 55 -9.977 22.426 2.954 1.00 0.00 S ATOM 819 CE MET A 55 -10.564 22.499 1.263 1.00 0.00 C ATOM 0 H MET A 55 -12.614 22.225 6.060 1.00 0.00 H new ATOM 0 HA MET A 55 -14.414 22.527 3.872 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.055 20.632 4.032 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.706 21.430 2.614 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.967 23.627 3.528 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.288 22.809 4.921 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.755 22.828 0.611 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.901 21.510 0.952 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.393 23.203 1.196 1.00 0.00 H new ATOM 829 N TRP A 56 -14.125 19.510 5.207 1.00 0.00 N ATOM 830 CA TRP A 56 -14.790 18.218 5.332 1.00 0.00 C ATOM 831 C TRP A 56 -16.194 18.381 5.903 1.00 0.00 C ATOM 832 O TRP A 56 -17.152 17.797 5.396 1.00 0.00 O ATOM 833 CB TRP A 56 -13.970 17.283 6.222 1.00 0.00 C ATOM 834 CG TRP A 56 -14.746 16.098 6.713 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.556 16.047 7.811 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.783 14.794 6.123 1.00 0.00 C ATOM 837 NE1 TRP A 56 -16.094 14.789 7.940 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.636 14.002 6.917 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.180 14.218 5.002 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.899 12.667 6.623 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.441 12.893 4.712 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.295 12.129 5.519 1.00 0.00 C ATOM 0 H TRP A 56 -13.260 19.592 5.741 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.871 17.782 4.336 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.100 16.934 5.666 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.596 17.844 7.079 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.746 16.874 8.480 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.731 14.490 8.678 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.521 14.799 4.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.556 12.077 7.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.979 12.438 3.848 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.480 11.096 5.265 1.00 0.00 H new ATOM 853 N ASP A 57 -16.310 19.179 6.959 1.00 0.00 N ATOM 854 CA ASP A 57 -17.598 19.420 7.598 1.00 0.00 C ATOM 855 C ASP A 57 -18.617 19.939 6.587 1.00 0.00 C ATOM 856 O ASP A 57 -19.817 19.964 6.858 1.00 0.00 O ATOM 857 CB ASP A 57 -17.444 20.420 8.744 1.00 0.00 C ATOM 858 CG ASP A 57 -17.655 19.781 10.103 1.00 0.00 C ATOM 859 OD1 ASP A 57 -18.821 19.698 10.545 1.00 0.00 O ATOM 860 OD2 ASP A 57 -16.656 19.363 10.723 1.00 0.00 O ATOM 0 H ASP A 57 -15.527 19.670 7.391 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.960 18.473 7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.449 20.863 8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -18.159 21.232 8.612 1.00 0.00 H new ATOM 865 N GLY A 58 -18.129 20.354 5.422 1.00 0.00 N ATOM 866 CA GLY A 58 -19.010 20.867 4.390 1.00 0.00 C ATOM 867 C GLY A 58 -18.830 20.153 3.065 1.00 0.00 C ATOM 868 O GLY A 58 -18.962 20.759 2.001 1.00 0.00 O ATOM 0 H GLY A 58 -17.139 20.344 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.045 20.765 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.823 21.932 4.253 1.00 0.00 H new ATOM 872 N LEU A 59 -18.526 18.861 3.128 1.00 0.00 N ATOM 873 CA LEU A 59 -18.325 18.063 1.924 1.00 0.00 C ATOM 874 C LEU A 59 -19.622 17.381 1.500 1.00 0.00 C ATOM 875 O LEU A 59 -20.541 17.219 2.302 1.00 0.00 O ATOM 876 CB LEU A 59 -17.238 17.013 2.160 1.00 0.00 C ATOM 877 CG LEU A 59 -16.078 17.012 1.162 1.00 0.00 C ATOM 878 CD1 LEU A 59 -14.924 17.854 1.685 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.619 15.590 0.880 1.00 0.00 C ATOM 0 H LEU A 59 -18.413 18.344 4.000 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.009 18.732 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.830 17.159 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.704 16.028 2.147 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.427 17.451 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.108 17.842 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.261 18.880 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.575 17.444 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.794 15.608 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.288 15.124 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.446 15.017 0.461 1.00 0.00 H new ATOM 891 N GLY A 60 -19.689 16.982 0.234 1.00 0.00 N ATOM 892 CA GLY A 60 -20.876 16.320 -0.274 1.00 0.00 C ATOM 893 C GLY A 60 -20.998 14.891 0.215 1.00 0.00 C ATOM 894 O GLY A 60 -20.014 14.152 0.241 1.00 0.00 O ATOM 0 H GLY A 60 -18.942 17.105 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.759 16.881 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.854 16.327 -1.364 1.00 0.00 H new ATOM 898 N GLU A 61 -22.207 14.501 0.605 1.00 0.00 N ATOM 899 CA GLU A 61 -22.452 13.150 1.098 1.00 0.00 C ATOM 900 C GLU A 61 -21.794 12.113 0.192 1.00 0.00 C ATOM 901 O GLU A 61 -21.257 11.112 0.667 1.00 0.00 O ATOM 902 CB GLU A 61 -23.955 12.882 1.191 1.00 0.00 C ATOM 903 CG GLU A 61 -24.305 11.655 2.015 1.00 0.00 C ATOM 904 CD GLU A 61 -25.744 11.216 1.828 1.00 0.00 C ATOM 905 OE1 GLU A 61 -26.010 10.444 0.883 1.00 0.00 O ATOM 906 OE2 GLU A 61 -26.604 11.645 2.625 1.00 0.00 O ATOM 0 H GLU A 61 -23.032 15.101 0.589 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.014 13.068 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.444 13.753 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.357 12.760 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -23.641 10.836 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.128 11.868 3.069 1.00 0.00 H new ATOM 913 N GLU A 62 -21.841 12.361 -1.113 1.00 0.00 N ATOM 914 CA GLU A 62 -21.251 11.448 -2.085 1.00 0.00 C ATOM 915 C GLU A 62 -19.743 11.332 -1.876 1.00 0.00 C ATOM 916 O GLU A 62 -19.157 10.271 -2.093 1.00 0.00 O ATOM 917 CB GLU A 62 -21.545 11.923 -3.509 1.00 0.00 C ATOM 918 CG GLU A 62 -22.962 11.627 -3.969 1.00 0.00 C ATOM 919 CD GLU A 62 -23.102 10.244 -4.575 1.00 0.00 C ATOM 920 OE1 GLU A 62 -22.514 9.291 -4.023 1.00 0.00 O ATOM 921 OE2 GLU A 62 -23.801 10.115 -5.602 1.00 0.00 O ATOM 0 H GLU A 62 -22.281 13.186 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.698 10.464 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.370 12.997 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.843 11.447 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.642 11.719 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.265 12.374 -4.703 1.00 0.00 H new ATOM 928 N GLN A 63 -19.124 12.430 -1.456 1.00 0.00 N ATOM 929 CA GLN A 63 -17.685 12.451 -1.220 1.00 0.00 C ATOM 930 C GLN A 63 -17.351 11.896 0.161 1.00 0.00 C ATOM 931 O GLN A 63 -16.318 11.254 0.351 1.00 0.00 O ATOM 932 CB GLN A 63 -17.147 13.877 -1.353 1.00 0.00 C ATOM 933 CG GLN A 63 -17.300 14.457 -2.749 1.00 0.00 C ATOM 934 CD GLN A 63 -17.332 15.973 -2.751 1.00 0.00 C ATOM 935 OE1 GLN A 63 -16.410 16.626 -2.263 1.00 0.00 O ATOM 936 NE2 GLN A 63 -18.399 16.542 -3.302 1.00 0.00 N ATOM 0 H GLN A 63 -19.595 13.316 -1.272 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.210 11.819 -1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.666 14.520 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.092 13.886 -1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.475 14.114 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.218 14.077 -3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -19.140 15.962 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.477 17.559 -3.332 1.00 0.00 H new ATOM 945 N LYS A 64 -18.233 12.147 1.123 1.00 0.00 N ATOM 946 CA LYS A 64 -18.033 11.672 2.487 1.00 0.00 C ATOM 947 C LYS A 64 -18.215 10.160 2.569 1.00 0.00 C ATOM 948 O LYS A 64 -17.404 9.460 3.174 1.00 0.00 O ATOM 949 CB LYS A 64 -19.011 12.366 3.439 1.00 0.00 C ATOM 950 CG LYS A 64 -18.625 13.797 3.769 1.00 0.00 C ATOM 951 CD LYS A 64 -19.252 14.257 5.075 1.00 0.00 C ATOM 952 CE LYS A 64 -18.719 15.616 5.502 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.580 16.249 6.538 1.00 0.00 N ATOM 0 H LYS A 64 -19.093 12.677 0.983 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.012 11.914 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.005 12.360 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.073 11.793 4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.540 13.875 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.942 14.456 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.335 14.309 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.049 13.524 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.707 15.503 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.656 16.271 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.202 17.188 6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.548 16.349 6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.593 15.653 7.390 1.00 0.00 H new ATOM 967 N GLN A 65 -19.284 9.663 1.954 1.00 0.00 N ATOM 968 CA GLN A 65 -19.570 8.233 1.957 1.00 0.00 C ATOM 969 C GLN A 65 -18.466 7.455 1.250 1.00 0.00 C ATOM 970 O GLN A 65 -18.053 6.389 1.706 1.00 0.00 O ATOM 971 CB GLN A 65 -20.916 7.960 1.282 1.00 0.00 C ATOM 972 CG GLN A 65 -21.052 8.606 -0.087 1.00 0.00 C ATOM 973 CD GLN A 65 -21.091 7.589 -1.211 1.00 0.00 C ATOM 974 OE1 GLN A 65 -22.162 7.143 -1.622 1.00 0.00 O ATOM 975 NE2 GLN A 65 -19.920 7.218 -1.715 1.00 0.00 N ATOM 0 H GLN A 65 -19.965 10.229 1.448 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.617 7.899 2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.051 6.883 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.717 8.323 1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.962 9.206 -0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.217 9.288 -0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.056 7.614 -1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -19.884 6.537 -2.474 1.00 0.00 H new ATOM 984 N VAL A 66 -17.990 7.995 0.132 1.00 0.00 N ATOM 985 CA VAL A 66 -16.933 7.352 -0.639 1.00 0.00 C ATOM 986 C VAL A 66 -15.606 7.391 0.111 1.00 0.00 C ATOM 987 O VAL A 66 -14.686 6.632 -0.195 1.00 0.00 O ATOM 988 CB VAL A 66 -16.754 8.022 -2.014 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.417 9.496 -1.850 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.678 7.307 -2.818 1.00 0.00 C ATOM 0 H VAL A 66 -18.320 8.877 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.234 6.315 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.694 7.948 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.294 9.953 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.224 9.997 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.491 9.597 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.564 7.793 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.732 7.349 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.966 6.266 -2.966 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.513 8.280 1.093 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.298 8.420 1.886 1.00 0.00 C ATOM 1002 C TYR A 67 -14.208 7.324 2.943 1.00 0.00 C ATOM 1003 O TYR A 67 -13.158 6.709 3.130 1.00 0.00 O ATOM 1004 CB TYR A 67 -14.255 9.795 2.555 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.484 10.829 1.766 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.219 10.547 1.264 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -14.019 12.088 1.522 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.510 11.488 0.544 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.318 13.035 0.801 1.00 0.00 C ATOM 1010 CZ TYR A 67 -12.064 12.730 0.314 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.362 13.672 -0.403 1.00 0.00 O ATOM 0 H TYR A 67 -16.265 8.915 1.359 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.444 8.324 1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.275 10.150 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.806 9.695 3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.783 9.575 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.000 12.330 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.527 11.253 0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.749 14.008 0.620 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.989 14.256 -0.878 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.318 7.085 3.634 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.368 6.063 4.672 1.00 0.00 C ATOM 1023 C LYS A 68 -15.259 4.667 4.067 1.00 0.00 C ATOM 1024 O LYS A 68 -14.528 3.815 4.573 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.667 6.183 5.472 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.918 6.138 4.612 1.00 0.00 C ATOM 1027 CD LYS A 68 -19.175 6.037 5.460 1.00 0.00 C ATOM 1028 CE LYS A 68 -20.430 6.057 4.601 1.00 0.00 C ATOM 1029 NZ LYS A 68 -21.460 5.105 5.102 1.00 0.00 N ATOM 0 H LYS A 68 -16.195 7.586 3.493 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.521 6.218 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -16.710 5.375 6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.654 7.119 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.967 7.034 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.865 5.285 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.148 5.118 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.205 6.865 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.844 7.065 4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.171 5.804 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.300 5.148 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.074 4.139 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.726 5.362 6.074 1.00 0.00 H new ATOM 1043 N LYS A 69 -15.989 4.439 2.980 1.00 0.00 N ATOM 1044 CA LYS A 69 -15.972 3.148 2.304 1.00 0.00 C ATOM 1045 C LYS A 69 -14.551 2.757 1.911 1.00 0.00 C ATOM 1046 O LYS A 69 -14.163 1.594 2.019 1.00 0.00 O ATOM 1047 CB LYS A 69 -16.863 3.189 1.060 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.307 2.802 1.333 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.234 4.002 1.236 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.674 3.575 0.994 1.00 0.00 C ATOM 1051 NZ LYS A 69 -21.061 3.715 -0.437 1.00 0.00 N ATOM 0 H LYS A 69 -16.600 5.133 2.549 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.357 2.399 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.838 4.194 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.452 2.517 0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.621 2.040 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.385 2.361 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -19.175 4.584 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.905 4.653 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.803 2.538 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -21.340 4.178 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.049 3.414 -0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.963 4.709 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.442 3.120 -1.024 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.777 3.737 1.457 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.398 3.498 1.050 1.00 0.00 C ATOM 1067 C LYS A 70 -11.545 3.075 2.242 1.00 0.00 C ATOM 1068 O LYS A 70 -10.626 2.267 2.106 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.808 4.755 0.408 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.168 4.915 -1.059 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.165 5.795 -1.786 1.00 0.00 C ATOM 1072 CE LYS A 70 -11.854 6.738 -2.761 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.283 6.632 -4.132 1.00 0.00 N ATOM 0 H LYS A 70 -14.082 4.706 1.362 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.396 2.690 0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.156 5.630 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.723 4.728 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.205 3.935 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.164 5.349 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.594 6.374 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.454 5.169 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.920 6.512 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.756 7.764 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.779 7.290 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.271 6.872 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.399 5.660 -4.482 1.00 0.00 H new ATOM 1087 N THR A 71 -11.857 3.625 3.412 1.00 0.00 N ATOM 1088 CA THR A 71 -11.119 3.304 4.627 1.00 0.00 C ATOM 1089 C THR A 71 -11.118 1.803 4.890 1.00 0.00 C ATOM 1090 O THR A 71 -10.065 1.202 5.104 1.00 0.00 O ATOM 1091 CB THR A 71 -11.713 4.027 5.851 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.150 5.339 5.481 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.688 4.126 6.971 1.00 0.00 C ATOM 0 H THR A 71 -12.615 4.294 3.543 1.00 0.00 H new ATOM 0 HA THR A 71 -10.095 3.644 4.474 1.00 0.00 H new ATOM 0 HB THR A 71 -12.565 3.448 6.209 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.528 5.791 6.264 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.130 4.640 7.824 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.379 3.125 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.820 4.684 6.621 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.304 1.202 4.871 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.437 -0.231 5.107 1.00 0.00 C ATOM 1103 C GLU A 72 -11.763 -1.031 3.996 1.00 0.00 C ATOM 1104 O GLU A 72 -11.090 -2.028 4.255 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.914 -0.618 5.206 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.625 -0.008 6.402 1.00 0.00 C ATOM 1107 CD GLU A 72 -14.858 -1.009 7.516 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -15.397 -2.099 7.230 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -14.503 -0.704 8.674 1.00 0.00 O ATOM 0 H GLU A 72 -13.185 1.685 4.695 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.943 -0.466 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.424 -0.308 4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.993 -1.704 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.035 0.825 6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.583 0.401 6.080 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.951 -0.586 2.758 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.361 -1.258 1.607 1.00 0.00 C ATOM 1118 C ALA A 73 -9.846 -1.084 1.587 1.00 0.00 C ATOM 1119 O ALA A 73 -9.123 -1.917 1.039 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.971 -0.731 0.317 1.00 0.00 C ATOM 0 H ALA A 73 -12.507 0.237 2.527 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.578 -2.323 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.521 -1.242 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.046 -0.913 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.784 0.340 0.237 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.371 0.002 2.187 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.942 0.284 2.239 1.00 0.00 C ATOM 1128 C ALA A 74 -7.316 -0.283 3.508 1.00 0.00 C ATOM 1129 O ALA A 74 -6.117 -0.559 3.553 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.696 1.783 2.152 1.00 0.00 C ATOM 0 H ALA A 74 -9.956 0.702 2.644 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.470 -0.201 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.624 1.979 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.100 2.164 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.187 2.281 2.988 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.136 -0.456 4.540 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.663 -0.991 5.812 1.00 0.00 C ATOM 1138 C LYS A 75 -7.559 -2.512 5.756 1.00 0.00 C ATOM 1139 O LYS A 75 -6.515 -3.085 6.067 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.604 -0.575 6.945 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.628 -1.553 8.106 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.647 -0.832 9.443 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.904 0.009 9.605 1.00 0.00 C ATOM 1144 NZ LYS A 75 -10.639 -0.328 10.855 1.00 0.00 N ATOM 0 H LYS A 75 -9.131 -0.233 4.520 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.671 -0.583 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.304 0.406 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.614 -0.471 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.506 -2.194 8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.754 -2.202 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.589 -1.561 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.768 -0.193 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.635 1.065 9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.558 -0.146 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.489 0.266 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.918 -1.330 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.024 -0.156 11.676 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.648 -3.161 5.357 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.679 -4.615 5.258 1.00 0.00 C ATOM 1160 C LYS A 76 -7.596 -5.119 4.310 1.00 0.00 C ATOM 1161 O LYS A 76 -6.912 -6.100 4.601 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.053 -5.085 4.775 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.981 -5.510 5.900 1.00 0.00 C ATOM 1164 CD LYS A 76 -11.552 -4.310 6.637 1.00 0.00 C ATOM 1165 CE LYS A 76 -12.728 -4.704 7.516 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.010 -3.678 8.558 1.00 0.00 N ATOM 0 H LYS A 76 -9.521 -2.702 5.097 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.489 -5.026 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.525 -4.281 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.921 -5.921 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.796 -6.110 5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.438 -6.144 6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.774 -3.855 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.871 -3.557 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.613 -4.845 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.519 -5.660 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.867 -4.093 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.366 -2.871 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.994 -3.353 8.468 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.445 -4.441 3.177 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.444 -4.821 2.187 1.00 0.00 C ATOM 1182 C GLU A 77 -5.034 -4.606 2.729 1.00 0.00 C ATOM 1183 O GLU A 77 -4.163 -5.464 2.582 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.636 -4.016 0.900 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.799 -2.749 0.845 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.983 -1.985 -0.452 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -7.100 -1.478 -0.690 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -5.010 -1.893 -1.229 1.00 0.00 O ATOM 0 H GLU A 77 -8.003 -3.626 2.922 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.572 -5.881 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.384 -4.645 0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.689 -3.751 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.066 -2.105 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.747 -3.007 0.964 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.817 -3.456 3.357 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.513 -3.126 3.918 1.00 0.00 C ATOM 1197 C TYR A 78 -2.933 -4.312 4.683 1.00 0.00 C ATOM 1198 O TYR A 78 -1.746 -4.620 4.567 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.625 -1.913 4.845 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.347 -1.600 5.589 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.152 -1.408 4.907 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.335 -1.493 6.975 1.00 0.00 C ATOM 1203 CE1 TYR A 78 0.019 -1.122 5.584 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.170 -1.206 7.659 1.00 0.00 C ATOM 1205 CZ TYR A 78 0.004 -1.022 6.959 1.00 0.00 C ATOM 1206 OH TYR A 78 1.167 -0.736 7.637 1.00 0.00 O ATOM 0 H TYR A 78 -5.528 -2.737 3.490 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.842 -2.885 3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.916 -1.042 4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.422 -2.090 5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.138 -1.483 3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.252 -1.637 7.526 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.940 -0.978 5.039 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.178 -1.126 8.736 1.00 0.00 H new ATOM 0 HH TYR A 78 0.984 -0.700 8.599 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.779 -4.974 5.464 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.353 -6.128 6.248 1.00 0.00 C ATOM 1218 C LEU A 79 -2.943 -7.283 5.340 1.00 0.00 C ATOM 1219 O LEU A 79 -1.874 -7.870 5.508 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.476 -6.576 7.185 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.151 -5.471 7.999 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -6.441 -5.980 8.623 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -4.208 -4.948 9.073 1.00 0.00 C ATOM 0 H LEU A 79 -4.764 -4.732 5.571 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.488 -5.832 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.239 -7.080 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.072 -7.315 7.877 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.396 -4.649 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.907 -5.180 9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.122 -6.306 7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.220 -6.820 9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.705 -4.162 9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.932 -5.762 9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.311 -4.544 8.604 1.00 0.00 H new