USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 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 USER MOD Single : A 32 THR OG1 : rot 178:sc= 0.856 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.88!) 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= -1.97 K(o=-2,f=-2.8!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -60:sc= -0.0634 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -62:sc= 1.05 USER MOD Single : A 55 MET CE :methyl -151:sc= -5.16! (180deg=-5.56!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 64 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.18) USER MOD Single : A 65 GLN : amide:sc= -5.96! K(o=-6!,f=-1.6) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 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+ 175:sc= -1.83 (180deg=-1.93) USER MOD Single : A 71 THR OG1 : rot 73:sc= 0.4 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0135) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.507 3.069 5.205 1.00 0.00 N ATOM 307 CA PRO A 21 -4.583 4.016 4.897 1.00 0.00 C ATOM 308 C PRO A 21 -4.977 4.859 6.105 1.00 0.00 C ATOM 309 O PRO A 21 -4.638 4.530 7.242 1.00 0.00 O ATOM 310 CB PRO A 21 -5.743 3.110 4.476 1.00 0.00 C ATOM 311 CG PRO A 21 -5.475 1.811 5.154 1.00 0.00 C ATOM 312 CD PRO A 21 -3.978 1.674 5.209 1.00 0.00 C ATOM 0 HA PRO A 21 -4.287 4.735 4.133 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.702 3.526 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.780 2.991 3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.905 1.797 6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.923 0.984 4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.656 1.144 6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.594 1.118 4.354 1.00 0.00 H new ATOM 320 N VAL A 22 -5.695 5.948 5.851 1.00 0.00 N ATOM 321 CA VAL A 22 -6.137 6.838 6.919 1.00 0.00 C ATOM 322 C VAL A 22 -7.658 6.935 6.959 1.00 0.00 C ATOM 323 O VAL A 22 -8.325 6.828 5.930 1.00 0.00 O ATOM 324 CB VAL A 22 -5.548 8.251 6.751 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.035 8.186 6.607 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.176 8.951 5.555 1.00 0.00 C ATOM 0 H VAL A 22 -5.983 6.236 4.916 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.778 6.412 7.856 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.779 8.830 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.637 9.194 6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.604 7.727 7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.778 7.590 5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.748 9.948 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.978 8.375 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.253 9.032 5.705 1.00 0.00 H new ATOM 336 N SER A 23 -8.201 7.138 8.155 1.00 0.00 N ATOM 337 CA SER A 23 -9.644 7.246 8.331 1.00 0.00 C ATOM 338 C SER A 23 -10.272 8.043 7.191 1.00 0.00 C ATOM 339 O SER A 23 -9.589 8.788 6.490 1.00 0.00 O ATOM 340 CB SER A 23 -9.968 7.910 9.671 1.00 0.00 C ATOM 341 OG SER A 23 -11.052 7.262 10.313 1.00 0.00 O ATOM 0 H SER A 23 -7.663 7.231 9.017 1.00 0.00 H new ATOM 0 HA SER A 23 -10.062 6.240 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.090 7.882 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.212 8.960 9.510 1.00 0.00 H new ATOM 0 HG SER A 23 -11.238 7.704 11.168 1.00 0.00 H new ATOM 347 N ALA A 24 -11.579 7.878 7.013 1.00 0.00 N ATOM 348 CA ALA A 24 -12.301 8.582 5.960 1.00 0.00 C ATOM 349 C ALA A 24 -11.976 10.071 5.973 1.00 0.00 C ATOM 350 O ALA A 24 -11.478 10.617 4.988 1.00 0.00 O ATOM 351 CB ALA A 24 -13.799 8.365 6.112 1.00 0.00 C ATOM 0 H ALA A 24 -12.159 7.263 7.584 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.982 8.176 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.326 8.896 5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.021 7.300 6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.125 8.743 7.081 1.00 0.00 H new ATOM 357 N TYR A 25 -12.261 10.724 7.095 1.00 0.00 N ATOM 358 CA TYR A 25 -12.002 12.152 7.234 1.00 0.00 C ATOM 359 C TYR A 25 -10.526 12.463 7.003 1.00 0.00 C ATOM 360 O TYR A 25 -10.161 13.595 6.686 1.00 0.00 O ATOM 361 CB TYR A 25 -12.425 12.635 8.623 1.00 0.00 C ATOM 362 CG TYR A 25 -11.750 13.919 9.049 1.00 0.00 C ATOM 363 CD1 TYR A 25 -11.846 15.068 8.273 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.018 13.984 10.228 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.231 16.243 8.658 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.400 15.156 10.621 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.509 16.282 9.833 1.00 0.00 C ATOM 368 OH TYR A 25 -9.896 17.452 10.221 1.00 0.00 O ATOM 0 H TYR A 25 -12.671 10.287 7.920 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.588 12.677 6.479 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.505 12.781 8.634 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.201 11.857 9.353 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.411 15.041 7.353 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.930 13.104 10.848 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.315 17.127 8.043 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.835 15.190 11.541 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.430 17.311 11.071 1.00 0.00 H new ATOM 378 N ALA A 26 -9.682 11.449 7.164 1.00 0.00 N ATOM 379 CA ALA A 26 -8.247 11.612 6.970 1.00 0.00 C ATOM 380 C ALA A 26 -7.880 11.534 5.492 1.00 0.00 C ATOM 381 O ALA A 26 -6.965 12.219 5.032 1.00 0.00 O ATOM 382 CB ALA A 26 -7.485 10.559 7.762 1.00 0.00 C ATOM 0 H ALA A 26 -9.968 10.506 7.428 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.966 12.600 7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.414 10.692 7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.715 10.664 8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.779 9.566 7.424 1.00 0.00 H new ATOM 388 N LEU A 27 -8.597 10.695 4.753 1.00 0.00 N ATOM 389 CA LEU A 27 -8.346 10.527 3.326 1.00 0.00 C ATOM 390 C LEU A 27 -8.562 11.838 2.577 1.00 0.00 C ATOM 391 O LEU A 27 -7.979 12.063 1.516 1.00 0.00 O ATOM 392 CB LEU A 27 -9.258 9.442 2.752 1.00 0.00 C ATOM 393 CG LEU A 27 -8.611 8.077 2.514 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.630 6.963 2.699 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.995 8.014 1.124 1.00 0.00 C ATOM 0 H LEU A 27 -9.357 10.121 5.118 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.307 10.224 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.101 9.309 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.663 9.800 1.805 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.817 7.940 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.151 5.999 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.024 6.995 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.447 7.095 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.539 7.036 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.771 8.173 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.233 8.788 1.028 1.00 0.00 H new ATOM 407 N PHE A 28 -9.403 12.701 3.137 1.00 0.00 N ATOM 408 CA PHE A 28 -9.696 13.991 2.522 1.00 0.00 C ATOM 409 C PHE A 28 -8.727 15.062 3.017 1.00 0.00 C ATOM 410 O PHE A 28 -8.620 16.138 2.429 1.00 0.00 O ATOM 411 CB PHE A 28 -11.136 14.410 2.827 1.00 0.00 C ATOM 412 CG PHE A 28 -11.377 15.884 2.668 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.373 16.469 1.412 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.610 16.684 3.775 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.595 17.825 1.264 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.832 18.041 3.633 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.826 18.612 2.375 1.00 0.00 C ATOM 0 H PHE A 28 -9.894 12.531 4.015 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.576 13.887 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.812 13.866 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.383 14.117 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.194 15.859 0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.618 16.242 4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.588 18.269 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.010 18.654 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.002 19.671 2.261 1.00 0.00 H new ATOM 427 N PHE A 29 -8.025 14.758 4.104 1.00 0.00 N ATOM 428 CA PHE A 29 -7.066 15.694 4.680 1.00 0.00 C ATOM 429 C PHE A 29 -5.728 15.620 3.951 1.00 0.00 C ATOM 430 O PHE A 29 -5.064 16.636 3.746 1.00 0.00 O ATOM 431 CB PHE A 29 -6.866 15.400 6.169 1.00 0.00 C ATOM 432 CG PHE A 29 -5.695 16.123 6.770 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.398 15.758 6.445 1.00 0.00 C ATOM 434 CD2 PHE A 29 -5.890 17.166 7.661 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.318 16.421 6.997 1.00 0.00 C ATOM 436 CE2 PHE A 29 -4.814 17.833 8.215 1.00 0.00 C ATOM 437 CZ PHE A 29 -3.526 17.459 7.884 1.00 0.00 C ATOM 0 H PHE A 29 -8.102 13.872 4.603 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.466 16.702 4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.771 15.677 6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.729 14.327 6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.229 14.946 5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.895 17.461 7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.312 16.128 6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.980 18.646 8.906 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.684 17.977 8.318 1.00 0.00 H new ATOM 447 N ARG A 30 -5.339 14.410 3.564 1.00 0.00 N ATOM 448 CA ARG A 30 -4.079 14.202 2.859 1.00 0.00 C ATOM 449 C ARG A 30 -4.192 14.642 1.403 1.00 0.00 C ATOM 450 O ARG A 30 -3.190 14.959 0.760 1.00 0.00 O ATOM 451 CB ARG A 30 -3.669 12.730 2.929 1.00 0.00 C ATOM 452 CG ARG A 30 -4.592 11.803 2.154 1.00 0.00 C ATOM 453 CD ARG A 30 -3.889 10.512 1.767 1.00 0.00 C ATOM 454 NE ARG A 30 -3.135 10.651 0.524 1.00 0.00 N ATOM 455 CZ ARG A 30 -2.364 9.693 0.021 1.00 0.00 C ATOM 456 NH1 ARG A 30 -2.246 8.533 0.652 1.00 0.00 N ATOM 457 NH2 ARG A 30 -1.710 9.895 -1.116 1.00 0.00 N ATOM 0 H ARG A 30 -5.877 13.559 3.726 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.314 14.808 3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.655 12.625 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.647 12.417 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.470 11.573 2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.947 12.309 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.214 10.212 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.626 9.717 1.657 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.204 11.532 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.748 8.374 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.653 7.799 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.799 10.786 -1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.118 9.159 -1.502 1.00 0.00 H new ATOM 471 N ASP A 31 -5.416 14.658 0.888 1.00 0.00 N ATOM 472 CA ASP A 31 -5.660 15.059 -0.493 1.00 0.00 C ATOM 473 C ASP A 31 -5.778 16.576 -0.605 1.00 0.00 C ATOM 474 O ASP A 31 -5.493 17.157 -1.653 1.00 0.00 O ATOM 475 CB ASP A 31 -6.933 14.396 -1.022 1.00 0.00 C ATOM 476 CG ASP A 31 -6.780 13.907 -2.449 1.00 0.00 C ATOM 477 OD1 ASP A 31 -5.670 13.462 -2.808 1.00 0.00 O ATOM 478 OD2 ASP A 31 -7.771 13.968 -3.206 1.00 0.00 O ATOM 0 H ASP A 31 -6.255 14.398 1.406 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.812 14.732 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.196 13.556 -0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.758 15.107 -0.971 1.00 0.00 H new ATOM 483 N THR A 32 -6.202 17.214 0.482 1.00 0.00 N ATOM 484 CA THR A 32 -6.361 18.662 0.506 1.00 0.00 C ATOM 485 C THR A 32 -5.137 19.339 1.111 1.00 0.00 C ATOM 486 O THR A 32 -4.593 20.285 0.540 1.00 0.00 O ATOM 487 CB THR A 32 -7.611 19.078 1.304 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.741 18.309 0.878 1.00 0.00 O ATOM 489 CG2 THR A 32 -7.901 20.560 1.121 1.00 0.00 C ATOM 0 H THR A 32 -6.441 16.749 1.358 1.00 0.00 H new ATOM 0 HA THR A 32 -6.477 18.984 -0.529 1.00 0.00 H new ATOM 0 HB THR A 32 -7.421 18.889 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.524 18.555 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.788 20.831 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.050 21.143 1.473 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.073 20.769 0.065 1.00 0.00 H new ATOM 497 N GLN A 33 -4.707 18.849 2.270 1.00 0.00 N ATOM 498 CA GLN A 33 -3.547 19.408 2.952 1.00 0.00 C ATOM 499 C GLN A 33 -2.498 19.876 1.948 1.00 0.00 C ATOM 500 O GLN A 33 -1.988 20.992 2.044 1.00 0.00 O ATOM 501 CB GLN A 33 -2.937 18.372 3.899 1.00 0.00 C ATOM 502 CG GLN A 33 -1.584 18.782 4.459 1.00 0.00 C ATOM 503 CD GLN A 33 -0.550 17.679 4.351 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.696 16.614 4.954 1.00 0.00 O ATOM 505 NE2 GLN A 33 0.503 17.927 3.581 1.00 0.00 N ATOM 0 H GLN A 33 -5.145 18.066 2.755 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.879 20.269 3.532 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.626 18.198 4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.830 17.426 3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.227 19.663 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.699 19.066 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.583 18.823 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.231 17.222 3.471 1.00 0.00 H new ATOM 514 N ALA A 34 -2.181 19.016 0.986 1.00 0.00 N ATOM 515 CA ALA A 34 -1.195 19.342 -0.036 1.00 0.00 C ATOM 516 C ALA A 34 -1.580 20.614 -0.784 1.00 0.00 C ATOM 517 O ALA A 34 -0.750 21.499 -0.991 1.00 0.00 O ATOM 518 CB ALA A 34 -1.040 18.182 -1.008 1.00 0.00 C ATOM 0 H ALA A 34 -2.593 18.088 0.893 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.240 19.518 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.300 18.439 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.711 17.295 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.997 17.980 -1.489 1.00 0.00 H new ATOM 524 N ALA A 35 -2.843 20.699 -1.187 1.00 0.00 N ATOM 525 CA ALA A 35 -3.337 21.863 -1.911 1.00 0.00 C ATOM 526 C ALA A 35 -3.368 23.095 -1.014 1.00 0.00 C ATOM 527 O ALA A 35 -3.131 24.214 -1.471 1.00 0.00 O ATOM 528 CB ALA A 35 -4.723 21.585 -2.476 1.00 0.00 C ATOM 0 H ALA A 35 -3.543 19.975 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.653 22.063 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.079 22.463 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.674 20.736 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.409 21.356 -1.661 1.00 0.00 H new ATOM 534 N ILE A 36 -3.660 22.883 0.265 1.00 0.00 N ATOM 535 CA ILE A 36 -3.721 23.977 1.226 1.00 0.00 C ATOM 536 C ILE A 36 -2.393 24.723 1.294 1.00 0.00 C ATOM 537 O ILE A 36 -2.331 25.928 1.048 1.00 0.00 O ATOM 538 CB ILE A 36 -4.085 23.470 2.634 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.394 22.680 2.593 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.194 24.636 3.605 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.605 23.532 2.284 1.00 0.00 C ATOM 0 H ILE A 36 -3.858 21.963 0.660 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.500 24.657 0.881 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.293 22.806 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.311 21.894 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.542 22.188 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.452 24.262 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.240 25.161 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.969 25.323 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.497 22.906 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.713 24.302 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.479 24.004 1.309 1.00 0.00 H new ATOM 553 N LYS A 37 -1.330 23.999 1.628 1.00 0.00 N ATOM 554 CA LYS A 37 -0.001 24.591 1.726 1.00 0.00 C ATOM 555 C LYS A 37 0.397 25.254 0.411 1.00 0.00 C ATOM 556 O LYS A 37 0.711 26.443 0.375 1.00 0.00 O ATOM 557 CB LYS A 37 1.028 23.523 2.102 1.00 0.00 C ATOM 558 CG LYS A 37 1.961 23.945 3.224 1.00 0.00 C ATOM 559 CD LYS A 37 2.083 22.864 4.285 1.00 0.00 C ATOM 560 CE LYS A 37 3.536 22.607 4.654 1.00 0.00 C ATOM 561 NZ LYS A 37 3.707 22.390 6.117 1.00 0.00 N ATOM 0 H LYS A 37 -1.363 23.001 1.835 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.026 25.354 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.504 22.614 2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.621 23.276 1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.947 24.167 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.591 24.863 3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.528 23.161 5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.631 21.942 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.899 21.733 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.146 23.454 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.711 22.218 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.384 23.233 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.145 21.567 6.414 1.00 0.00 H new ATOM 575 N GLY A 38 0.381 24.477 -0.668 1.00 0.00 N ATOM 576 CA GLY A 38 0.741 25.008 -1.970 1.00 0.00 C ATOM 577 C GLY A 38 0.216 26.413 -2.188 1.00 0.00 C ATOM 578 O GLY A 38 0.843 27.215 -2.880 1.00 0.00 O ATOM 0 H GLY A 38 0.125 23.490 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.826 25.009 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.349 24.352 -2.747 1.00 0.00 H new ATOM 582 N GLN A 39 -0.938 26.710 -1.599 1.00 0.00 N ATOM 583 CA GLN A 39 -1.548 28.028 -1.736 1.00 0.00 C ATOM 584 C GLN A 39 -1.258 28.891 -0.513 1.00 0.00 C ATOM 585 O GLN A 39 -1.271 30.119 -0.590 1.00 0.00 O ATOM 586 CB GLN A 39 -3.058 27.895 -1.936 1.00 0.00 C ATOM 587 CG GLN A 39 -3.462 27.660 -3.382 1.00 0.00 C ATOM 588 CD GLN A 39 -4.925 27.966 -3.637 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.298 29.114 -3.881 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.764 26.938 -3.582 1.00 0.00 N ATOM 0 H GLN A 39 -1.469 26.057 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.115 28.513 -2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.425 27.070 -1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.545 28.800 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.846 28.281 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.260 26.622 -3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.412 26.003 -3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.760 27.084 -3.745 1.00 0.00 H new ATOM 599 N ASN A 40 -0.998 28.240 0.617 1.00 0.00 N ATOM 600 CA ASN A 40 -0.706 28.949 1.857 1.00 0.00 C ATOM 601 C ASN A 40 0.289 28.167 2.709 1.00 0.00 C ATOM 602 O ASN A 40 -0.080 27.458 3.646 1.00 0.00 O ATOM 603 CB ASN A 40 -1.994 29.187 2.648 1.00 0.00 C ATOM 604 CG ASN A 40 -3.226 29.172 1.763 1.00 0.00 C ATOM 605 OD1 ASN A 40 -3.339 29.960 0.824 1.00 0.00 O ATOM 606 ND2 ASN A 40 -4.157 28.273 2.061 1.00 0.00 N ATOM 0 H ASN A 40 -0.984 27.223 0.699 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.261 29.911 1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.092 28.420 3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.930 30.146 3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.008 28.216 1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.021 27.640 2.849 1.00 0.00 H new ATOM 613 N PRO A 41 1.582 28.298 2.379 1.00 0.00 N ATOM 614 CA PRO A 41 2.657 27.613 3.102 1.00 0.00 C ATOM 615 C PRO A 41 2.858 28.170 4.508 1.00 0.00 C ATOM 616 O PRO A 41 3.423 27.504 5.374 1.00 0.00 O ATOM 617 CB PRO A 41 3.893 27.881 2.239 1.00 0.00 C ATOM 618 CG PRO A 41 3.580 29.143 1.512 1.00 0.00 C ATOM 619 CD PRO A 41 2.095 29.127 1.275 1.00 0.00 C ATOM 0 HA PRO A 41 2.441 26.554 3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.788 27.989 2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.078 27.060 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.872 30.014 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.125 29.196 0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.674 30.132 1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.848 28.700 0.303 1.00 0.00 H new ATOM 627 N ASN A 42 2.392 29.395 4.725 1.00 0.00 N ATOM 628 CA ASN A 42 2.521 30.042 6.026 1.00 0.00 C ATOM 629 C ASN A 42 1.715 29.297 7.086 1.00 0.00 C ATOM 630 O ASN A 42 2.079 29.284 8.262 1.00 0.00 O ATOM 631 CB ASN A 42 2.054 31.497 5.944 1.00 0.00 C ATOM 632 CG ASN A 42 2.826 32.405 6.882 1.00 0.00 C ATOM 633 OD1 ASN A 42 3.845 32.983 6.504 1.00 0.00 O ATOM 634 ND2 ASN A 42 2.342 32.535 8.111 1.00 0.00 N ATOM 0 H ASN A 42 1.922 29.960 4.018 1.00 0.00 H new ATOM 0 HA ASN A 42 3.573 30.020 6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.167 31.855 4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.992 31.549 6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.818 33.133 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.494 32.037 8.380 1.00 0.00 H new ATOM 641 N ALA A 43 0.619 28.677 6.661 1.00 0.00 N ATOM 642 CA ALA A 43 -0.237 27.927 7.573 1.00 0.00 C ATOM 643 C ALA A 43 0.407 26.602 7.965 1.00 0.00 C ATOM 644 O ALA A 43 0.444 25.659 7.175 1.00 0.00 O ATOM 645 CB ALA A 43 -1.599 27.687 6.940 1.00 0.00 C ATOM 0 H ALA A 43 0.303 28.679 5.691 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.369 28.519 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.228 27.126 7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.070 28.644 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.477 27.118 6.018 1.00 0.00 H new ATOM 651 N THR A 44 0.916 26.537 9.192 1.00 0.00 N ATOM 652 CA THR A 44 1.560 25.328 9.689 1.00 0.00 C ATOM 653 C THR A 44 0.546 24.208 9.893 1.00 0.00 C ATOM 654 O THR A 44 -0.662 24.425 9.794 1.00 0.00 O ATOM 655 CB THR A 44 2.294 25.588 11.018 1.00 0.00 C ATOM 656 OG1 THR A 44 1.393 26.163 11.971 1.00 0.00 O ATOM 657 CG2 THR A 44 3.479 26.518 10.809 1.00 0.00 C ATOM 0 H THR A 44 0.894 27.308 9.859 1.00 0.00 H new ATOM 0 HA THR A 44 2.286 25.024 8.935 1.00 0.00 H new ATOM 0 HB THR A 44 2.663 24.634 11.396 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.867 26.324 12.814 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.981 26.687 11.761 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.177 26.065 10.106 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.129 27.470 10.410 1.00 0.00 H new ATOM 665 N PHE A 45 1.044 23.010 10.179 1.00 0.00 N ATOM 666 CA PHE A 45 0.180 21.855 10.396 1.00 0.00 C ATOM 667 C PHE A 45 -1.055 22.244 11.203 1.00 0.00 C ATOM 668 O PHE A 45 -2.185 21.994 10.788 1.00 0.00 O ATOM 669 CB PHE A 45 0.948 20.746 11.120 1.00 0.00 C ATOM 670 CG PHE A 45 1.842 19.948 10.215 1.00 0.00 C ATOM 671 CD1 PHE A 45 1.313 19.221 9.161 1.00 0.00 C ATOM 672 CD2 PHE A 45 3.213 19.924 10.419 1.00 0.00 C ATOM 673 CE1 PHE A 45 2.133 18.485 8.326 1.00 0.00 C ATOM 674 CE2 PHE A 45 4.038 19.191 9.587 1.00 0.00 C ATOM 675 CZ PHE A 45 3.497 18.469 8.540 1.00 0.00 C ATOM 0 H PHE A 45 2.041 22.813 10.266 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.145 21.487 9.423 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.550 21.190 11.913 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.235 20.074 11.599 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.247 19.229 8.989 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.641 20.484 11.237 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.707 17.923 7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.105 19.182 9.755 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.140 17.893 7.891 1.00 0.00 H new ATOM 685 N GLY A 46 -0.829 22.857 12.361 1.00 0.00 N ATOM 686 CA GLY A 46 -1.932 23.270 13.209 1.00 0.00 C ATOM 687 C GLY A 46 -2.979 24.063 12.453 1.00 0.00 C ATOM 688 O GLY A 46 -4.173 23.942 12.725 1.00 0.00 O ATOM 0 H GLY A 46 0.098 23.075 12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.397 22.388 13.650 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.548 23.873 14.032 1.00 0.00 H new ATOM 692 N GLU A 47 -2.531 24.876 11.502 1.00 0.00 N ATOM 693 CA GLU A 47 -3.440 25.694 10.707 1.00 0.00 C ATOM 694 C GLU A 47 -4.115 24.858 9.622 1.00 0.00 C ATOM 695 O GLU A 47 -5.340 24.732 9.592 1.00 0.00 O ATOM 696 CB GLU A 47 -2.685 26.862 10.069 1.00 0.00 C ATOM 697 CG GLU A 47 -3.008 28.209 10.695 1.00 0.00 C ATOM 698 CD GLU A 47 -3.954 29.035 9.847 1.00 0.00 C ATOM 699 OE1 GLU A 47 -5.126 28.629 9.697 1.00 0.00 O ATOM 700 OE2 GLU A 47 -3.523 30.088 9.332 1.00 0.00 O ATOM 0 H GLU A 47 -1.545 24.986 11.263 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.209 26.087 11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.614 26.680 10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.921 26.899 9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.451 28.051 11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.083 28.765 10.848 1.00 0.00 H new ATOM 707 N VAL A 48 -3.308 24.290 8.733 1.00 0.00 N ATOM 708 CA VAL A 48 -3.825 23.466 7.647 1.00 0.00 C ATOM 709 C VAL A 48 -4.969 22.580 8.127 1.00 0.00 C ATOM 710 O VAL A 48 -5.983 22.433 7.444 1.00 0.00 O ATOM 711 CB VAL A 48 -2.722 22.578 7.041 1.00 0.00 C ATOM 712 CG1 VAL A 48 -3.320 21.571 6.070 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.668 23.433 6.354 1.00 0.00 C ATOM 0 H VAL A 48 -2.293 24.385 8.743 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.194 24.148 6.880 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.240 22.026 7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.526 20.953 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.034 20.938 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.829 22.100 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.896 22.790 5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.133 24.013 5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.218 24.110 7.081 1.00 0.00 H new ATOM 723 N SER A 49 -4.800 21.991 9.307 1.00 0.00 N ATOM 724 CA SER A 49 -5.817 21.116 9.877 1.00 0.00 C ATOM 725 C SER A 49 -7.095 21.893 10.180 1.00 0.00 C ATOM 726 O SER A 49 -8.161 21.589 9.645 1.00 0.00 O ATOM 727 CB SER A 49 -5.294 20.455 11.155 1.00 0.00 C ATOM 728 OG SER A 49 -5.222 21.389 12.219 1.00 0.00 O ATOM 0 H SER A 49 -3.968 22.104 9.886 1.00 0.00 H new ATOM 0 HA SER A 49 -6.047 20.343 9.144 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.948 19.629 11.435 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.307 20.031 10.971 1.00 0.00 H new ATOM 0 HG SER A 49 -4.614 22.118 11.974 1.00 0.00 H new ATOM 734 N LYS A 50 -6.978 22.897 11.042 1.00 0.00 N ATOM 735 CA LYS A 50 -8.122 23.721 11.416 1.00 0.00 C ATOM 736 C LYS A 50 -8.903 24.161 10.182 1.00 0.00 C ATOM 737 O LYS A 50 -10.104 24.424 10.258 1.00 0.00 O ATOM 738 CB LYS A 50 -7.657 24.948 12.203 1.00 0.00 C ATOM 739 CG LYS A 50 -8.511 25.248 13.423 1.00 0.00 C ATOM 740 CD LYS A 50 -8.990 26.690 13.427 1.00 0.00 C ATOM 741 CE LYS A 50 -10.062 26.918 14.483 1.00 0.00 C ATOM 742 NZ LYS A 50 -11.059 27.935 14.049 1.00 0.00 N ATOM 0 H LYS A 50 -6.103 23.160 11.495 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.780 23.121 12.045 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.625 24.796 12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.663 25.816 11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.371 24.578 13.440 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.936 25.052 14.328 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.146 27.354 13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.386 26.946 12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.571 25.977 14.693 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.594 27.242 15.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.772 28.062 14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.578 28.840 13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.524 27.614 13.176 1.00 0.00 H new ATOM 756 N ILE A 51 -8.215 24.237 9.048 1.00 0.00 N ATOM 757 CA ILE A 51 -8.846 24.642 7.798 1.00 0.00 C ATOM 758 C ILE A 51 -9.621 23.487 7.173 1.00 0.00 C ATOM 759 O ILE A 51 -10.771 23.646 6.764 1.00 0.00 O ATOM 760 CB ILE A 51 -7.807 25.157 6.784 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.089 26.389 7.339 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.477 25.480 5.457 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.860 26.778 6.548 1.00 0.00 C ATOM 0 H ILE A 51 -7.221 24.023 8.969 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.536 25.450 8.041 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.067 24.375 6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.783 27.229 7.353 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.801 26.197 8.372 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.730 25.843 4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.947 24.581 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.235 26.248 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.402 27.659 6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.147 25.954 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.145 27.002 5.520 1.00 0.00 H new ATOM 775 N VAL A 52 -8.983 22.323 7.104 1.00 0.00 N ATOM 776 CA VAL A 52 -9.612 21.139 6.532 1.00 0.00 C ATOM 777 C VAL A 52 -10.852 20.738 7.325 1.00 0.00 C ATOM 778 O VAL A 52 -11.937 20.589 6.765 1.00 0.00 O ATOM 779 CB VAL A 52 -8.636 19.949 6.490 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.358 18.680 6.063 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.471 20.248 5.559 1.00 0.00 C ATOM 0 H VAL A 52 -8.030 22.175 7.437 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.903 21.396 5.513 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.239 19.792 7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.652 17.850 6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.155 18.458 6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.786 18.821 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.791 19.396 5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.847 20.433 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.938 21.130 5.914 1.00 0.00 H new ATOM 791 N ALA A 53 -10.681 20.566 8.631 1.00 0.00 N ATOM 792 CA ALA A 53 -11.787 20.185 9.502 1.00 0.00 C ATOM 793 C ALA A 53 -13.042 20.988 9.179 1.00 0.00 C ATOM 794 O ALA A 53 -14.160 20.492 9.314 1.00 0.00 O ATOM 795 CB ALA A 53 -11.398 20.373 10.961 1.00 0.00 C ATOM 0 H ALA A 53 -9.788 20.684 9.110 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.007 19.132 9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.233 20.085 11.600 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.534 19.750 11.190 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.149 21.419 11.139 1.00 0.00 H new ATOM 801 N SER A 54 -12.849 22.233 8.753 1.00 0.00 N ATOM 802 CA SER A 54 -13.967 23.106 8.415 1.00 0.00 C ATOM 803 C SER A 54 -14.548 22.743 7.053 1.00 0.00 C ATOM 804 O SER A 54 -15.747 22.893 6.817 1.00 0.00 O ATOM 805 CB SER A 54 -13.517 24.569 8.416 1.00 0.00 C ATOM 806 OG SER A 54 -12.886 24.909 7.194 1.00 0.00 O ATOM 0 H SER A 54 -11.930 22.659 8.634 1.00 0.00 H new ATOM 0 HA SER A 54 -14.742 22.970 9.169 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.378 25.218 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.829 24.741 9.244 1.00 0.00 H new ATOM 0 HG SER A 54 -12.084 24.358 7.075 1.00 0.00 H new ATOM 812 N MET A 55 -13.690 22.263 6.159 1.00 0.00 N ATOM 813 CA MET A 55 -14.118 21.876 4.819 1.00 0.00 C ATOM 814 C MET A 55 -14.799 20.511 4.839 1.00 0.00 C ATOM 815 O MET A 55 -15.838 20.317 4.208 1.00 0.00 O ATOM 816 CB MET A 55 -12.921 21.848 3.867 1.00 0.00 C ATOM 817 CG MET A 55 -12.151 23.157 3.820 1.00 0.00 C ATOM 818 SD MET A 55 -11.524 23.536 2.173 1.00 0.00 S ATOM 819 CE MET A 55 -10.319 22.227 1.960 1.00 0.00 C ATOM 0 H MET A 55 -12.694 22.133 6.338 1.00 0.00 H new ATOM 0 HA MET A 55 -14.837 22.616 4.466 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.245 21.049 4.170 1.00 0.00 H new ATOM 0 HB3 MET A 55 -13.271 21.606 2.864 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.799 23.967 4.153 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.317 23.108 4.520 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.521 22.571 1.302 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.899 21.958 2.929 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.803 21.355 1.519 1.00 0.00 H new ATOM 829 N TRP A 56 -14.207 19.571 5.567 1.00 0.00 N ATOM 830 CA TRP A 56 -14.758 18.224 5.668 1.00 0.00 C ATOM 831 C TRP A 56 -16.169 18.254 6.245 1.00 0.00 C ATOM 832 O TRP A 56 -17.090 17.657 5.687 1.00 0.00 O ATOM 833 CB TRP A 56 -13.857 17.346 6.539 1.00 0.00 C ATOM 834 CG TRP A 56 -14.536 16.106 7.035 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.215 15.958 8.210 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.599 14.839 6.371 1.00 0.00 C ATOM 837 NE1 TRP A 56 -15.697 14.676 8.317 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.333 13.970 7.201 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.109 14.355 5.155 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.586 12.645 6.853 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.361 13.041 4.811 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.094 12.198 5.656 1.00 0.00 C ATOM 0 H TRP A 56 -13.347 19.716 6.095 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.805 17.802 4.664 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -12.974 17.063 5.966 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.510 17.928 7.393 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.353 16.735 8.947 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.238 14.309 9.100 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.543 14.997 4.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.150 11.994 7.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.986 12.657 3.874 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.275 11.176 5.358 1.00 0.00 H new ATOM 853 N ASP A 57 -16.332 18.953 7.363 1.00 0.00 N ATOM 854 CA ASP A 57 -17.632 19.062 8.014 1.00 0.00 C ATOM 855 C ASP A 57 -18.687 19.572 7.038 1.00 0.00 C ATOM 856 O ASP A 57 -19.886 19.449 7.284 1.00 0.00 O ATOM 857 CB ASP A 57 -17.544 19.995 9.223 1.00 0.00 C ATOM 858 CG ASP A 57 -18.399 19.522 10.382 1.00 0.00 C ATOM 859 OD1 ASP A 57 -19.637 19.669 10.305 1.00 0.00 O ATOM 860 OD2 ASP A 57 -17.831 19.005 11.366 1.00 0.00 O ATOM 0 H ASP A 57 -15.580 19.453 7.837 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.926 18.068 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.506 20.068 9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.857 20.997 8.929 1.00 0.00 H new ATOM 865 N GLY A 58 -18.232 20.147 5.928 1.00 0.00 N ATOM 866 CA GLY A 58 -19.150 20.668 4.933 1.00 0.00 C ATOM 867 C GLY A 58 -18.982 19.999 3.583 1.00 0.00 C ATOM 868 O GLY A 58 -19.226 20.613 2.543 1.00 0.00 O ATOM 0 H GLY A 58 -17.244 20.261 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.174 20.528 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.993 21.741 4.825 1.00 0.00 H new ATOM 872 N LEU A 59 -18.564 18.738 3.597 1.00 0.00 N ATOM 873 CA LEU A 59 -18.362 17.985 2.364 1.00 0.00 C ATOM 874 C LEU A 59 -19.658 17.318 1.915 1.00 0.00 C ATOM 875 O LEU A 59 -20.563 17.094 2.718 1.00 0.00 O ATOM 876 CB LEU A 59 -17.273 16.929 2.561 1.00 0.00 C ATOM 877 CG LEU A 59 -16.136 16.939 1.538 1.00 0.00 C ATOM 878 CD1 LEU A 59 -14.987 17.808 2.025 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.655 15.522 1.262 1.00 0.00 C ATOM 0 H LEU A 59 -18.358 18.215 4.449 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.047 18.683 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.843 17.060 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.742 15.945 2.544 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.514 17.361 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.188 17.803 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.340 18.829 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.609 17.416 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.846 15.548 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.294 15.073 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.480 14.928 0.868 1.00 0.00 H new ATOM 891 N GLY A 60 -19.739 17.001 0.626 1.00 0.00 N ATOM 892 CA GLY A 60 -20.927 16.360 0.093 1.00 0.00 C ATOM 893 C GLY A 60 -21.122 14.958 0.634 1.00 0.00 C ATOM 894 O GLY A 60 -20.181 14.166 0.675 1.00 0.00 O ATOM 0 H GLY A 60 -19.003 17.177 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.801 16.964 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.858 16.320 -0.994 1.00 0.00 H new ATOM 898 N GLU A 61 -22.346 14.651 1.053 1.00 0.00 N ATOM 899 CA GLU A 61 -22.659 13.335 1.596 1.00 0.00 C ATOM 900 C GLU A 61 -22.053 12.231 0.733 1.00 0.00 C ATOM 901 O GLU A 61 -21.516 11.252 1.249 1.00 0.00 O ATOM 902 CB GLU A 61 -24.174 13.146 1.695 1.00 0.00 C ATOM 903 CG GLU A 61 -24.621 12.468 2.979 1.00 0.00 C ATOM 904 CD GLU A 61 -26.005 11.859 2.866 1.00 0.00 C ATOM 905 OE1 GLU A 61 -26.890 12.502 2.265 1.00 0.00 O ATOM 906 OE2 GLU A 61 -26.202 10.737 3.378 1.00 0.00 O ATOM 0 H GLU A 61 -23.136 15.296 1.027 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.226 13.271 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.659 14.120 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.514 12.555 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -23.906 11.689 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.613 13.195 3.791 1.00 0.00 H new ATOM 913 N GLU A 62 -22.146 12.399 -0.582 1.00 0.00 N ATOM 914 CA GLU A 62 -21.608 11.417 -1.516 1.00 0.00 C ATOM 915 C GLU A 62 -20.090 11.327 -1.397 1.00 0.00 C ATOM 916 O GLU A 62 -19.501 10.271 -1.629 1.00 0.00 O ATOM 917 CB GLU A 62 -21.997 11.779 -2.951 1.00 0.00 C ATOM 918 CG GLU A 62 -23.396 11.327 -3.335 1.00 0.00 C ATOM 919 CD GLU A 62 -23.398 10.361 -4.504 1.00 0.00 C ATOM 920 OE1 GLU A 62 -23.176 9.154 -4.276 1.00 0.00 O ATOM 921 OE2 GLU A 62 -23.620 10.814 -5.646 1.00 0.00 O ATOM 0 H GLU A 62 -22.588 13.205 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.033 10.445 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.926 12.859 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.278 11.331 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.869 10.852 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.999 12.199 -3.589 1.00 0.00 H new ATOM 928 N GLN A 63 -19.463 12.441 -1.034 1.00 0.00 N ATOM 929 CA GLN A 63 -18.013 12.488 -0.885 1.00 0.00 C ATOM 930 C GLN A 63 -17.585 11.908 0.459 1.00 0.00 C ATOM 931 O GLN A 63 -16.535 11.275 0.568 1.00 0.00 O ATOM 932 CB GLN A 63 -17.512 13.928 -1.015 1.00 0.00 C ATOM 933 CG GLN A 63 -17.683 14.507 -2.410 1.00 0.00 C ATOM 934 CD GLN A 63 -16.886 15.780 -2.615 1.00 0.00 C ATOM 935 OE1 GLN A 63 -15.679 15.815 -2.377 1.00 0.00 O ATOM 936 NE2 GLN A 63 -17.559 16.835 -3.060 1.00 0.00 N ATOM 0 H GLN A 63 -19.936 13.323 -0.838 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.572 11.884 -1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.046 14.556 -0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.457 13.963 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.373 13.766 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.739 14.711 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.559 16.761 -3.244 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.075 17.719 -3.218 1.00 0.00 H new ATOM 945 N LYS A 64 -18.405 12.129 1.481 1.00 0.00 N ATOM 946 CA LYS A 64 -18.112 11.628 2.819 1.00 0.00 C ATOM 947 C LYS A 64 -18.245 10.110 2.872 1.00 0.00 C ATOM 948 O LYS A 64 -17.346 9.415 3.344 1.00 0.00 O ATOM 949 CB LYS A 64 -19.052 12.270 3.843 1.00 0.00 C ATOM 950 CG LYS A 64 -18.645 13.677 4.243 1.00 0.00 C ATOM 951 CD LYS A 64 -19.210 14.055 5.602 1.00 0.00 C ATOM 952 CE LYS A 64 -18.578 15.333 6.133 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.322 15.875 7.303 1.00 0.00 N ATOM 0 H LYS A 64 -19.278 12.652 1.408 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.083 11.893 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.061 12.296 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.087 11.644 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.558 13.749 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.995 14.385 3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.289 14.187 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.038 13.242 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.545 15.135 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.552 16.081 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.385 16.910 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.280 15.470 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.821 15.624 8.179 1.00 0.00 H new ATOM 967 N GLN A 65 -19.373 9.601 2.384 1.00 0.00 N ATOM 968 CA GLN A 65 -19.622 8.165 2.377 1.00 0.00 C ATOM 969 C GLN A 65 -18.521 7.426 1.623 1.00 0.00 C ATOM 970 O GLN A 65 -17.911 6.495 2.150 1.00 0.00 O ATOM 971 CB GLN A 65 -20.981 7.865 1.742 1.00 0.00 C ATOM 972 CG GLN A 65 -21.258 8.676 0.486 1.00 0.00 C ATOM 973 CD GLN A 65 -21.328 7.816 -0.760 1.00 0.00 C ATOM 974 OE1 GLN A 65 -22.231 7.968 -1.583 1.00 0.00 O ATOM 975 NE2 GLN A 65 -20.373 6.905 -0.906 1.00 0.00 N ATOM 0 H GLN A 65 -20.128 10.162 1.989 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.627 7.817 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.032 6.804 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.766 8.063 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.199 9.213 0.605 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.476 9.425 0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.643 6.813 -0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -20.369 6.297 -1.725 1.00 0.00 H new ATOM 984 N VAL A 66 -18.272 7.846 0.387 1.00 0.00 N ATOM 985 CA VAL A 66 -17.244 7.224 -0.439 1.00 0.00 C ATOM 986 C VAL A 66 -15.909 7.166 0.295 1.00 0.00 C ATOM 987 O VAL A 66 -15.239 6.133 0.305 1.00 0.00 O ATOM 988 CB VAL A 66 -17.055 7.984 -1.766 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.756 9.452 -1.503 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.948 7.345 -2.592 1.00 0.00 C ATOM 0 H VAL A 66 -18.768 8.614 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.581 6.210 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.983 7.924 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.626 9.972 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.585 9.900 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.843 9.537 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.828 7.894 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.014 7.373 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.209 6.310 -2.811 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.529 8.281 0.909 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.273 8.358 1.645 1.00 0.00 C ATOM 1002 C TYR A 67 -14.197 7.267 2.709 1.00 0.00 C ATOM 1003 O TYR A 67 -13.118 6.767 3.027 1.00 0.00 O ATOM 1004 CB TYR A 67 -14.124 9.734 2.298 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.398 10.739 1.432 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.193 10.417 0.820 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.917 12.011 1.227 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.527 11.332 0.029 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.258 12.933 0.436 1.00 0.00 C ATOM 1010 CZ TYR A 67 -12.063 12.589 -0.160 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.403 13.504 -0.948 1.00 0.00 O ATOM 0 H TYR A 67 -16.073 9.144 0.912 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.457 8.208 0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.114 10.122 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.587 9.624 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.770 9.434 0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.852 12.284 1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.591 11.065 -0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.676 13.917 0.286 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.915 14.339 -0.978 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.351 6.902 3.256 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.419 5.869 4.282 1.00 0.00 C ATOM 1023 C LYS A 68 -15.294 4.480 3.666 1.00 0.00 C ATOM 1024 O LYS A 68 -14.502 3.655 4.122 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.734 5.978 5.058 1.00 0.00 C ATOM 1026 CG LYS A 68 -16.961 7.344 5.682 1.00 0.00 C ATOM 1027 CD LYS A 68 -16.902 7.281 7.199 1.00 0.00 C ATOM 1028 CE LYS A 68 -18.285 7.093 7.803 1.00 0.00 C ATOM 1029 NZ LYS A 68 -18.257 7.175 9.289 1.00 0.00 N ATOM 0 H LYS A 68 -16.253 7.307 3.005 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.585 6.019 4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.562 5.753 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.746 5.222 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.208 8.042 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.931 7.731 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.255 6.459 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.457 8.198 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.959 7.854 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.685 6.125 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.219 7.042 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.633 6.433 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.899 8.108 9.579 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.079 4.227 2.624 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.055 2.938 1.942 1.00 0.00 C ATOM 1045 C LYS A 69 -14.639 2.582 1.503 1.00 0.00 C ATOM 1046 O LYS A 69 -14.259 1.411 1.485 1.00 0.00 O ATOM 1047 CB LYS A 69 -16.986 2.963 0.728 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.442 2.703 1.072 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.130 3.961 1.574 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.606 3.717 1.851 1.00 0.00 C ATOM 1051 NZ LYS A 69 -20.944 3.931 3.285 1.00 0.00 N ATOM 0 H LYS A 69 -16.740 4.898 2.233 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.402 2.178 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.905 3.934 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.652 2.215 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.964 2.329 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.504 1.925 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.640 4.306 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.024 4.755 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.207 4.384 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.866 2.698 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.958 3.755 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.390 3.277 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.720 4.911 3.552 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.860 3.599 1.150 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.484 3.394 0.713 1.00 0.00 C ATOM 1067 C LYS A 70 -11.593 3.003 1.887 1.00 0.00 C ATOM 1068 O LYS A 70 -10.857 2.018 1.820 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.944 4.663 0.050 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.532 4.929 -1.325 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.643 5.852 -2.143 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.389 7.105 -2.575 1.00 0.00 C ATOM 1073 NZ LYS A 70 -12.768 7.954 -1.411 1.00 0.00 N ATOM 0 H LYS A 70 -14.159 4.574 1.158 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.477 2.581 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.151 5.516 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.860 4.585 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.663 3.985 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.521 5.375 -1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.769 6.132 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.279 5.322 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.765 7.682 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.286 6.822 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.199 8.837 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.451 7.443 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.919 8.175 -0.852 1.00 0.00 H new ATOM 1087 N THR A 71 -11.665 3.779 2.964 1.00 0.00 N ATOM 1088 CA THR A 71 -10.865 3.513 4.153 1.00 0.00 C ATOM 1089 C THR A 71 -10.853 2.026 4.485 1.00 0.00 C ATOM 1090 O THR A 71 -9.795 1.443 4.724 1.00 0.00 O ATOM 1091 CB THR A 71 -11.392 4.296 5.371 1.00 0.00 C ATOM 1092 OG1 THR A 71 -11.734 5.631 4.985 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.353 4.333 6.481 1.00 0.00 C ATOM 0 H THR A 71 -12.270 4.597 3.037 1.00 0.00 H new ATOM 0 HA THR A 71 -9.849 3.841 3.931 1.00 0.00 H new ATOM 0 HB THR A 71 -12.281 3.788 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.558 5.617 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.748 4.891 7.330 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.118 3.316 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.448 4.819 6.116 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.034 1.417 4.499 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.157 -0.004 4.803 1.00 0.00 C ATOM 1103 C GLU A 72 -11.528 -0.852 3.701 1.00 0.00 C ATOM 1104 O GLU A 72 -10.780 -1.790 3.976 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.629 -0.385 4.978 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.202 0.007 6.329 1.00 0.00 C ATOM 1107 CD GLU A 72 -14.849 -1.160 7.049 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -15.416 -2.038 6.366 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -14.788 -1.196 8.296 1.00 0.00 O ATOM 0 H GLU A 72 -12.919 1.885 4.304 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.626 -0.198 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.215 0.092 4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.735 -1.462 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.407 0.417 6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.939 0.798 6.191 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.838 -0.516 2.453 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.303 -1.244 1.310 1.00 0.00 C ATOM 1118 C ALA A 73 -9.778 -1.200 1.296 1.00 0.00 C ATOM 1119 O ALA A 73 -9.125 -2.137 0.838 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.861 -0.677 0.014 1.00 0.00 C ATOM 0 H ALA A 73 -12.457 0.256 2.208 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.610 -2.286 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.452 -1.231 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.947 -0.767 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.584 0.374 -0.073 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.218 -0.106 1.799 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.771 0.060 1.845 1.00 0.00 C ATOM 1128 C ALA A 74 -7.206 -0.415 3.180 1.00 0.00 C ATOM 1129 O ALA A 74 -6.030 -0.768 3.278 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.397 1.514 1.600 1.00 0.00 C ATOM 0 H ALA A 74 -9.745 0.680 2.181 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.336 -0.553 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.313 1.622 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.759 1.822 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.851 2.141 2.368 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.050 -0.421 4.206 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.637 -0.853 5.535 1.00 0.00 C ATOM 1138 C LYS A 75 -7.596 -2.376 5.625 1.00 0.00 C ATOM 1139 O LYS A 75 -6.550 -2.964 5.901 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.589 -0.295 6.595 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.579 -1.079 7.896 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.404 -0.164 9.097 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.622 0.724 9.303 1.00 0.00 C ATOM 1144 NZ LYS A 75 -10.287 0.457 10.608 1.00 0.00 N ATOM 0 H LYS A 75 -9.026 -0.131 4.142 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.634 -0.468 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.321 0.741 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.602 -0.287 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.511 -1.635 7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.772 -1.811 7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.234 -0.764 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.519 0.457 8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.321 1.771 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.332 0.560 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.112 1.081 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.597 -0.535 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.617 0.638 11.383 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.740 -3.008 5.389 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.836 -4.462 5.439 1.00 0.00 C ATOM 1160 C LYS A 76 -7.831 -5.107 4.490 1.00 0.00 C ATOM 1161 O LYS A 76 -7.264 -6.156 4.793 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.254 -4.913 5.082 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.711 -4.451 3.709 1.00 0.00 C ATOM 1164 CD LYS A 76 -10.830 -5.615 2.740 1.00 0.00 C ATOM 1165 CE LYS A 76 -11.621 -5.229 1.499 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.086 -5.189 1.765 1.00 0.00 N ATOM 0 H LYS A 76 -9.615 -2.536 5.161 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.605 -4.781 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.302 -6.001 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.947 -4.534 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.674 -3.948 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.004 -3.720 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.835 -5.950 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.317 -6.455 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.289 -4.253 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.416 -5.943 0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.594 -4.989 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.396 -6.108 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.293 -4.443 2.459 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.616 -4.472 3.342 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.679 -4.985 2.350 1.00 0.00 C ATOM 1182 C GLU A 77 -5.237 -4.758 2.795 1.00 0.00 C ATOM 1183 O GLU A 77 -4.406 -5.664 2.731 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.918 -4.314 0.996 1.00 0.00 C ATOM 1185 CG GLU A 77 -6.061 -3.080 0.768 1.00 0.00 C ATOM 1186 CD GLU A 77 -6.299 -2.447 -0.589 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -7.249 -2.867 -1.282 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -5.534 -1.531 -0.958 1.00 0.00 O ATOM 0 H GLU A 77 -8.078 -3.602 3.076 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.846 -6.058 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.720 -5.035 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.969 -4.035 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.270 -2.348 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.009 -3.351 0.859 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.948 -3.542 3.245 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.606 -3.194 3.698 1.00 0.00 C ATOM 1197 C TYR A 78 -3.080 -4.228 4.688 1.00 0.00 C ATOM 1198 O TYR A 78 -1.926 -4.652 4.607 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.607 -1.807 4.344 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.350 -1.503 5.127 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.177 -1.134 4.481 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.336 -1.584 6.514 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.026 -0.857 5.192 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.191 -1.306 7.234 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.038 -0.944 6.569 1.00 0.00 C ATOM 1206 OH TYR A 78 1.106 -0.666 7.282 1.00 0.00 O ATOM 0 H TYR A 78 -5.624 -2.781 3.306 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.948 -3.182 2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.732 -1.053 3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.467 -1.725 5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.165 -1.062 3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.236 -1.869 7.038 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.878 -0.574 4.673 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.198 -1.372 8.312 1.00 0.00 H new ATOM 0 HH TYR A 78 0.929 -0.773 8.240 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.934 -4.631 5.622 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.557 -5.617 6.630 1.00 0.00 C ATOM 1218 C LEU A 79 -3.132 -6.927 5.976 1.00 0.00 C ATOM 1219 O LEU A 79 -2.158 -7.555 6.393 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.723 -5.866 7.588 1.00 0.00 C ATOM 1221 CG LEU A 79 -4.883 -4.859 8.727 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -5.379 -3.524 8.193 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -5.834 -5.397 9.786 1.00 0.00 C ATOM 0 H LEU A 79 -4.892 -4.291 5.703 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.711 -5.222 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.646 -5.879 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.605 -6.859 8.022 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.908 -4.704 9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.487 -2.820 9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.662 -3.131 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.344 -3.663 7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.935 -4.667 10.589 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.810 -5.582 9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.438 -6.328 10.191 1.00 0.00 H new