USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 482 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 139:sc= 1.43 USER MOD Single : A 37 GLN : amide:sc=-0.00231 K(o=-0.0023,f=-0.94) USER MOD Single : A 38 TYR OH : rot 150:sc= -5.62! USER MOD Single : A 40 GLN : amide:sc= -0.735 K(o=-0.74,f=-3.5!) USER MOD Single : A 42 TYR OH : rot 169:sc= 0.445 USER MOD Single : A 52 SER OG : rot -51:sc= 1.2 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= -0.0921 (180deg=-1.06) USER MOD Single : A 58 HIS : no HE2:sc= -3.33! K(o=-3.3!,f=-2) USER MOD Single : A 70 CYS SG : rot -21:sc= -0.698 USER MOD Single : A 74 ASN : amide:sc= -5.09! C(o=-5.1!,f=-7!) USER MOD Single : A 75 THR OG1 : rot 98:sc= 0.924 USER MOD Single : A 77 ASN : amide:sc= -1.8 X(o=-1.8,f=-2.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N GLU A 22 9.157 6.333 -30.742 1.00 0.00 N ATOM 308 CA GLU A 22 8.071 7.216 -30.333 1.00 0.00 C ATOM 309 C GLU A 22 8.093 7.442 -28.824 1.00 0.00 C ATOM 310 O GLU A 22 8.313 8.559 -28.356 1.00 0.00 O ATOM 311 CB GLU A 22 6.721 6.630 -30.752 1.00 0.00 C ATOM 312 CG GLU A 22 6.297 7.024 -32.157 1.00 0.00 C ATOM 313 CD GLU A 22 6.003 8.506 -32.284 1.00 0.00 C ATOM 314 OE1 GLU A 22 6.965 9.299 -32.344 1.00 0.00 O ATOM 315 OE2 GLU A 22 4.809 8.872 -32.323 1.00 0.00 O ATOM 0 HA GLU A 22 8.212 8.176 -30.829 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.770 5.543 -30.688 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.958 6.957 -30.046 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.085 6.752 -32.860 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.410 6.456 -32.437 1.00 0.00 H new ATOM 322 N ALA A 23 7.863 6.374 -28.068 1.00 0.00 N ATOM 323 CA ALA A 23 7.858 6.454 -26.613 1.00 0.00 C ATOM 324 C ALA A 23 9.087 7.196 -26.099 1.00 0.00 C ATOM 325 O ALA A 23 8.978 8.106 -25.277 1.00 0.00 O ATOM 326 CB ALA A 23 7.789 5.060 -26.007 1.00 0.00 C ATOM 0 H ALA A 23 7.678 5.442 -28.440 1.00 0.00 H new ATOM 0 HA ALA A 23 6.974 7.014 -26.309 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.786 5.136 -24.920 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.877 4.564 -26.339 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.655 4.480 -26.328 1.00 0.00 H new ATOM 332 N LYS A 24 10.258 6.801 -26.588 1.00 0.00 N ATOM 333 CA LYS A 24 11.509 7.428 -26.179 1.00 0.00 C ATOM 334 C LYS A 24 11.397 8.948 -26.227 1.00 0.00 C ATOM 335 O LYS A 24 11.746 9.635 -25.268 1.00 0.00 O ATOM 336 CB LYS A 24 12.655 6.962 -27.080 1.00 0.00 C ATOM 337 CG LYS A 24 13.910 7.808 -26.955 1.00 0.00 C ATOM 338 CD LYS A 24 14.564 7.638 -25.594 1.00 0.00 C ATOM 339 CE LYS A 24 15.322 6.323 -25.500 1.00 0.00 C ATOM 340 NZ LYS A 24 16.375 6.364 -24.448 1.00 0.00 N ATOM 0 H LYS A 24 10.366 6.049 -27.269 1.00 0.00 H new ATOM 0 HA LYS A 24 11.717 7.129 -25.152 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.899 5.928 -26.838 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.319 6.976 -28.117 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.617 7.530 -27.737 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.660 8.857 -27.111 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.248 8.467 -25.412 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.802 7.676 -24.816 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.623 5.516 -25.283 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.780 6.098 -26.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.869 5.449 -24.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.057 7.118 -24.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.936 6.553 -23.524 1.00 0.00 H new ATOM 354 N GLU A 25 10.906 9.466 -27.349 1.00 0.00 N ATOM 355 CA GLU A 25 10.748 10.906 -27.520 1.00 0.00 C ATOM 356 C GLU A 25 9.901 11.497 -26.397 1.00 0.00 C ATOM 357 O GLU A 25 10.249 12.527 -25.819 1.00 0.00 O ATOM 358 CB GLU A 25 10.106 11.213 -28.874 1.00 0.00 C ATOM 359 CG GLU A 25 10.912 10.708 -30.059 1.00 0.00 C ATOM 360 CD GLU A 25 10.402 11.243 -31.383 1.00 0.00 C ATOM 361 OE1 GLU A 25 9.196 11.559 -31.469 1.00 0.00 O ATOM 362 OE2 GLU A 25 11.207 11.347 -32.331 1.00 0.00 O ATOM 0 H GLU A 25 10.611 8.911 -28.152 1.00 0.00 H new ATOM 0 HA GLU A 25 11.737 11.362 -27.484 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.112 10.767 -28.905 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.974 12.291 -28.968 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.956 10.996 -29.933 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.882 9.619 -30.076 1.00 0.00 H new ATOM 369 N ALA A 26 8.788 10.838 -26.094 1.00 0.00 N ATOM 370 CA ALA A 26 7.892 11.296 -25.039 1.00 0.00 C ATOM 371 C ALA A 26 8.604 11.328 -23.690 1.00 0.00 C ATOM 372 O ALA A 26 8.625 12.357 -23.014 1.00 0.00 O ATOM 373 CB ALA A 26 6.662 10.404 -24.967 1.00 0.00 C ATOM 0 H ALA A 26 8.485 9.985 -26.564 1.00 0.00 H new ATOM 0 HA ALA A 26 7.577 12.312 -25.279 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.002 10.758 -24.175 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.134 10.435 -25.920 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.967 9.380 -24.754 1.00 0.00 H new ATOM 379 N CYS A 27 9.184 10.197 -23.306 1.00 0.00 N ATOM 380 CA CYS A 27 9.895 10.096 -22.036 1.00 0.00 C ATOM 381 C CYS A 27 10.937 11.202 -21.907 1.00 0.00 C ATOM 382 O CYS A 27 10.897 11.999 -20.969 1.00 0.00 O ATOM 383 CB CYS A 27 10.568 8.728 -21.912 1.00 0.00 C ATOM 384 SG CYS A 27 9.410 7.345 -21.781 1.00 0.00 S ATOM 0 H CYS A 27 9.176 9.337 -23.855 1.00 0.00 H new ATOM 0 HA CYS A 27 9.169 10.210 -21.231 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.209 8.570 -22.779 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.214 8.731 -21.034 1.00 0.00 H new ATOM 0 HG CYS A 27 10.073 6.231 -21.683 1.00 0.00 H new ATOM 390 N ASP A 28 11.869 11.243 -22.852 1.00 0.00 N ATOM 391 CA ASP A 28 12.923 12.251 -22.844 1.00 0.00 C ATOM 392 C ASP A 28 12.353 13.631 -22.534 1.00 0.00 C ATOM 393 O ASP A 28 12.945 14.404 -21.781 1.00 0.00 O ATOM 394 CB ASP A 28 13.646 12.275 -24.191 1.00 0.00 C ATOM 395 CG ASP A 28 15.063 12.802 -24.079 1.00 0.00 C ATOM 396 OD1 ASP A 28 15.650 12.695 -22.982 1.00 0.00 O ATOM 397 OD2 ASP A 28 15.584 13.324 -25.087 1.00 0.00 O ATOM 0 H ASP A 28 11.916 10.590 -23.634 1.00 0.00 H new ATOM 0 HA ASP A 28 13.636 11.989 -22.063 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.668 11.267 -24.606 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.085 12.895 -24.890 1.00 0.00 H new ATOM 402 N TRP A 29 11.200 13.935 -23.121 1.00 0.00 N ATOM 403 CA TRP A 29 10.550 15.222 -22.907 1.00 0.00 C ATOM 404 C TRP A 29 9.999 15.325 -21.489 1.00 0.00 C ATOM 405 O TRP A 29 10.416 16.184 -20.711 1.00 0.00 O ATOM 406 CB TRP A 29 9.423 15.422 -23.921 1.00 0.00 C ATOM 407 CG TRP A 29 8.710 16.732 -23.767 1.00 0.00 C ATOM 408 CD1 TRP A 29 9.016 17.909 -24.387 1.00 0.00 C ATOM 409 CD2 TRP A 29 7.573 16.996 -22.938 1.00 0.00 C ATOM 410 NE1 TRP A 29 8.138 18.890 -23.994 1.00 0.00 N ATOM 411 CE2 TRP A 29 7.243 18.355 -23.105 1.00 0.00 C ATOM 412 CE3 TRP A 29 6.801 16.217 -22.072 1.00 0.00 C ATOM 413 CZ2 TRP A 29 6.175 18.949 -22.438 1.00 0.00 C ATOM 414 CZ3 TRP A 29 5.742 16.808 -21.410 1.00 0.00 C ATOM 415 CH2 TRP A 29 5.436 18.163 -21.596 1.00 0.00 C ATOM 0 H TRP A 29 10.697 13.307 -23.748 1.00 0.00 H new ATOM 0 HA TRP A 29 11.296 16.005 -23.044 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.835 15.357 -24.928 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.703 14.610 -23.818 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.829 18.049 -25.084 1.00 0.00 H new ATOM 0 HE1 TRP A 29 8.150 19.859 -24.312 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.028 15.172 -21.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.938 19.993 -22.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.140 16.215 -20.737 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.601 18.595 -21.065 1.00 0.00 H new ATOM 426 N LEU A 30 9.060 14.445 -21.159 1.00 0.00 N ATOM 427 CA LEU A 30 8.451 14.437 -19.833 1.00 0.00 C ATOM 428 C LEU A 30 9.501 14.663 -18.750 1.00 0.00 C ATOM 429 O LEU A 30 9.240 15.328 -17.748 1.00 0.00 O ATOM 430 CB LEU A 30 7.728 13.111 -19.590 1.00 0.00 C ATOM 431 CG LEU A 30 6.636 12.747 -20.597 1.00 0.00 C ATOM 432 CD1 LEU A 30 6.478 11.238 -20.691 1.00 0.00 C ATOM 433 CD2 LEU A 30 5.317 13.401 -20.211 1.00 0.00 C ATOM 0 H LEU A 30 8.704 13.728 -21.791 1.00 0.00 H new ATOM 0 HA LEU A 30 7.728 15.251 -19.788 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.469 12.312 -19.584 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.282 13.140 -18.596 1.00 0.00 H new ATOM 0 HG LEU A 30 6.932 13.122 -21.577 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.697 10.998 -21.412 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.419 10.793 -21.014 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.205 10.839 -19.714 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.551 13.132 -20.938 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.016 13.056 -19.222 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.438 14.484 -20.196 1.00 0.00 H new ATOM 445 N ARG A 31 10.690 14.106 -18.960 1.00 0.00 N ATOM 446 CA ARG A 31 11.780 14.248 -18.003 1.00 0.00 C ATOM 447 C ARG A 31 12.594 15.506 -18.289 1.00 0.00 C ATOM 448 O ARG A 31 13.189 16.091 -17.384 1.00 0.00 O ATOM 449 CB ARG A 31 12.688 13.018 -18.046 1.00 0.00 C ATOM 450 CG ARG A 31 13.903 13.125 -17.139 1.00 0.00 C ATOM 451 CD ARG A 31 15.048 12.257 -17.635 1.00 0.00 C ATOM 452 NE ARG A 31 16.087 12.090 -16.623 1.00 0.00 N ATOM 453 CZ ARG A 31 17.087 11.222 -16.732 1.00 0.00 C ATOM 454 NH1 ARG A 31 17.182 10.447 -17.803 1.00 0.00 N ATOM 455 NH2 ARG A 31 17.994 11.128 -15.768 1.00 0.00 N ATOM 0 H ARG A 31 10.922 13.552 -19.785 1.00 0.00 H new ATOM 0 HA ARG A 31 11.347 14.336 -17.007 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.109 12.140 -17.761 1.00 0.00 H new ATOM 0 HB3 ARG A 31 13.023 12.860 -19.071 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.229 14.164 -17.087 1.00 0.00 H new ATOM 0 HG3 ARG A 31 13.630 12.826 -16.127 1.00 0.00 H new ATOM 0 HD2 ARG A 31 14.663 11.279 -17.924 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.482 12.705 -18.529 1.00 0.00 H new ATOM 0 HE ARG A 31 16.043 12.672 -15.786 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.486 10.516 -18.546 1.00 0.00 H new ATOM 0 HH12 ARG A 31 17.951 9.781 -17.884 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.924 11.722 -14.942 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.761 10.461 -15.853 1.00 0.00 H new ATOM 469 N ALA A 32 12.617 15.915 -19.553 1.00 0.00 N ATOM 470 CA ALA A 32 13.357 17.104 -19.958 1.00 0.00 C ATOM 471 C ALA A 32 12.450 18.330 -19.992 1.00 0.00 C ATOM 472 O ALA A 32 12.856 19.403 -20.440 1.00 0.00 O ATOM 473 CB ALA A 32 14.003 16.885 -21.318 1.00 0.00 C ATOM 0 H ALA A 32 12.132 15.441 -20.314 1.00 0.00 H new ATOM 0 HA ALA A 32 14.139 17.284 -19.221 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.552 17.781 -21.608 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.689 16.040 -21.263 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.231 16.677 -22.058 1.00 0.00 H new ATOM 479 N THR A 33 11.220 18.164 -19.516 1.00 0.00 N ATOM 480 CA THR A 33 10.256 19.257 -19.492 1.00 0.00 C ATOM 481 C THR A 33 10.007 19.740 -18.068 1.00 0.00 C ATOM 482 O THR A 33 9.844 20.935 -17.827 1.00 0.00 O ATOM 483 CB THR A 33 8.915 18.836 -20.122 1.00 0.00 C ATOM 484 OG1 THR A 33 8.102 19.991 -20.360 1.00 0.00 O ATOM 485 CG2 THR A 33 8.173 17.866 -19.216 1.00 0.00 C ATOM 0 H THR A 33 10.868 17.283 -19.142 1.00 0.00 H new ATOM 0 HA THR A 33 10.685 20.070 -20.078 1.00 0.00 H new ATOM 0 HB THR A 33 9.124 18.337 -21.069 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.662 19.907 -21.232 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.229 17.583 -19.682 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.782 16.976 -19.060 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.975 18.343 -18.256 1.00 0.00 H new ATOM 493 N GLY A 34 9.979 18.801 -17.126 1.00 0.00 N ATOM 494 CA GLY A 34 9.751 19.152 -15.737 1.00 0.00 C ATOM 495 C GLY A 34 9.072 18.039 -14.962 1.00 0.00 C ATOM 496 O GLY A 34 8.990 18.088 -13.735 1.00 0.00 O ATOM 0 H GLY A 34 10.110 17.805 -17.301 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.704 19.391 -15.265 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.137 20.051 -15.689 1.00 0.00 H new ATOM 500 N PHE A 35 8.582 17.034 -15.681 1.00 0.00 N ATOM 501 CA PHE A 35 7.903 15.906 -15.054 1.00 0.00 C ATOM 502 C PHE A 35 8.716 14.625 -15.214 1.00 0.00 C ATOM 503 O PHE A 35 8.450 13.795 -16.084 1.00 0.00 O ATOM 504 CB PHE A 35 6.511 15.719 -15.661 1.00 0.00 C ATOM 505 CG PHE A 35 5.707 16.987 -15.719 1.00 0.00 C ATOM 506 CD1 PHE A 35 5.070 17.471 -14.588 1.00 0.00 C ATOM 507 CD2 PHE A 35 5.589 17.694 -16.904 1.00 0.00 C ATOM 508 CE1 PHE A 35 4.330 18.637 -14.638 1.00 0.00 C ATOM 509 CE2 PHE A 35 4.851 18.861 -16.960 1.00 0.00 C ATOM 510 CZ PHE A 35 4.219 19.333 -15.826 1.00 0.00 C ATOM 0 H PHE A 35 8.643 16.978 -16.698 1.00 0.00 H new ATOM 0 HA PHE A 35 7.802 16.121 -13.990 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.614 15.317 -16.669 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.965 14.978 -15.077 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.153 16.931 -13.656 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.079 17.329 -17.794 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.839 19.004 -13.749 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.768 19.404 -17.890 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.640 20.244 -15.868 1.00 0.00 H new ATOM 520 N PRO A 36 9.733 14.459 -14.355 1.00 0.00 N ATOM 521 CA PRO A 36 10.607 13.282 -14.380 1.00 0.00 C ATOM 522 C PRO A 36 9.887 12.016 -13.926 1.00 0.00 C ATOM 523 O PRO A 36 10.444 10.920 -13.987 1.00 0.00 O ATOM 524 CB PRO A 36 11.721 13.646 -13.396 1.00 0.00 C ATOM 525 CG PRO A 36 11.100 14.633 -12.469 1.00 0.00 C ATOM 526 CD PRO A 36 10.108 15.407 -13.292 1.00 0.00 C ATOM 0 HA PRO A 36 10.964 13.061 -15.386 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.077 12.767 -12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.581 14.074 -13.912 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.608 14.130 -11.636 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.853 15.295 -12.042 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.244 15.709 -12.700 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.548 16.316 -13.701 1.00 0.00 H new ATOM 534 N GLN A 37 8.648 12.176 -13.472 1.00 0.00 N ATOM 535 CA GLN A 37 7.854 11.045 -13.008 1.00 0.00 C ATOM 536 C GLN A 37 7.077 10.416 -14.159 1.00 0.00 C ATOM 537 O GLN A 37 6.891 9.199 -14.205 1.00 0.00 O ATOM 538 CB GLN A 37 6.888 11.490 -11.908 1.00 0.00 C ATOM 539 CG GLN A 37 5.907 12.561 -12.358 1.00 0.00 C ATOM 540 CD GLN A 37 5.203 13.232 -11.195 1.00 0.00 C ATOM 541 OE1 GLN A 37 5.339 12.812 -10.046 1.00 0.00 O ATOM 542 NE2 GLN A 37 4.445 14.283 -11.488 1.00 0.00 N ATOM 0 H GLN A 37 8.173 13.077 -13.416 1.00 0.00 H new ATOM 0 HA GLN A 37 8.536 10.297 -12.603 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.330 10.623 -11.553 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.462 11.867 -11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.439 13.314 -12.940 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.164 12.114 -13.019 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.361 14.597 -12.455 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.948 14.776 -10.746 1.00 0.00 H new ATOM 551 N TYR A 38 6.626 11.251 -15.088 1.00 0.00 N ATOM 552 CA TYR A 38 5.866 10.777 -16.239 1.00 0.00 C ATOM 553 C TYR A 38 6.731 9.899 -17.138 1.00 0.00 C ATOM 554 O TYR A 38 6.227 9.018 -17.834 1.00 0.00 O ATOM 555 CB TYR A 38 5.319 11.961 -17.038 1.00 0.00 C ATOM 556 CG TYR A 38 4.031 12.525 -16.480 1.00 0.00 C ATOM 557 CD1 TYR A 38 2.992 11.687 -16.094 1.00 0.00 C ATOM 558 CD2 TYR A 38 3.854 13.895 -16.338 1.00 0.00 C ATOM 559 CE1 TYR A 38 1.814 12.197 -15.584 1.00 0.00 C ATOM 560 CE2 TYR A 38 2.680 14.415 -15.828 1.00 0.00 C ATOM 561 CZ TYR A 38 1.663 13.562 -15.453 1.00 0.00 C ATOM 562 OH TYR A 38 0.491 14.074 -14.945 1.00 0.00 O ATOM 0 H TYR A 38 6.773 12.260 -15.067 1.00 0.00 H new ATOM 0 HA TYR A 38 5.032 10.179 -15.871 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.071 12.750 -17.063 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.152 11.647 -18.068 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.108 10.618 -16.195 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.648 14.566 -16.631 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.016 11.531 -15.290 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.559 15.483 -15.724 1.00 0.00 H new ATOM 0 HH TYR A 38 0.677 14.915 -14.478 1.00 0.00 H new ATOM 572 N ALA A 39 8.036 10.146 -17.116 1.00 0.00 N ATOM 573 CA ALA A 39 8.973 9.378 -17.928 1.00 0.00 C ATOM 574 C ALA A 39 9.405 8.104 -17.209 1.00 0.00 C ATOM 575 O ALA A 39 9.849 7.146 -17.841 1.00 0.00 O ATOM 576 CB ALA A 39 10.186 10.226 -18.278 1.00 0.00 C ATOM 0 H ALA A 39 8.469 10.872 -16.545 1.00 0.00 H new ATOM 0 HA ALA A 39 8.467 9.091 -18.850 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.877 9.640 -18.884 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.866 11.104 -18.839 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.685 10.542 -17.362 1.00 0.00 H new ATOM 582 N GLN A 40 9.272 8.102 -15.887 1.00 0.00 N ATOM 583 CA GLN A 40 9.650 6.945 -15.084 1.00 0.00 C ATOM 584 C GLN A 40 8.551 5.888 -15.100 1.00 0.00 C ATOM 585 O GLN A 40 8.829 4.688 -15.076 1.00 0.00 O ATOM 586 CB GLN A 40 9.943 7.372 -13.644 1.00 0.00 C ATOM 587 CG GLN A 40 10.631 6.296 -12.819 1.00 0.00 C ATOM 588 CD GLN A 40 12.034 5.993 -13.308 1.00 0.00 C ATOM 589 OE1 GLN A 40 12.484 6.540 -14.315 1.00 0.00 O ATOM 590 NE2 GLN A 40 12.733 5.118 -12.595 1.00 0.00 N ATOM 0 H GLN A 40 8.906 8.888 -15.349 1.00 0.00 H new ATOM 0 HA GLN A 40 10.551 6.512 -15.518 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.570 8.264 -13.659 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.007 7.648 -13.158 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.674 6.614 -11.777 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.035 5.384 -12.849 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.320 4.689 -11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.683 4.875 -12.875 1.00 0.00 H new ATOM 599 N LEU A 41 7.303 6.340 -15.139 1.00 0.00 N ATOM 600 CA LEU A 41 6.161 5.433 -15.159 1.00 0.00 C ATOM 601 C LEU A 41 6.280 4.433 -16.304 1.00 0.00 C ATOM 602 O LEU A 41 6.118 3.228 -16.109 1.00 0.00 O ATOM 603 CB LEU A 41 4.858 6.224 -15.291 1.00 0.00 C ATOM 604 CG LEU A 41 4.467 7.079 -14.085 1.00 0.00 C ATOM 605 CD1 LEU A 41 3.480 8.160 -14.495 1.00 0.00 C ATOM 606 CD2 LEU A 41 3.882 6.210 -12.982 1.00 0.00 C ATOM 0 H LEU A 41 7.056 7.329 -15.157 1.00 0.00 H new ATOM 0 HA LEU A 41 6.150 4.881 -14.219 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.938 6.875 -16.162 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.049 5.522 -15.491 1.00 0.00 H new ATOM 0 HG LEU A 41 5.365 7.563 -13.700 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.213 8.758 -13.624 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.935 8.801 -15.250 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.583 7.697 -14.906 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.610 6.835 -12.132 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.995 5.697 -13.354 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.622 5.473 -12.668 1.00 0.00 H new ATOM 618 N TYR A 42 6.565 4.940 -17.498 1.00 0.00 N ATOM 619 CA TYR A 42 6.705 4.091 -18.676 1.00 0.00 C ATOM 620 C TYR A 42 7.914 3.169 -18.543 1.00 0.00 C ATOM 621 O TYR A 42 7.887 2.025 -18.994 1.00 0.00 O ATOM 622 CB TYR A 42 6.840 4.948 -19.935 1.00 0.00 C ATOM 623 CG TYR A 42 6.816 4.148 -21.218 1.00 0.00 C ATOM 624 CD1 TYR A 42 7.970 3.546 -21.705 1.00 0.00 C ATOM 625 CD2 TYR A 42 5.641 3.994 -21.943 1.00 0.00 C ATOM 626 CE1 TYR A 42 7.954 2.815 -22.877 1.00 0.00 C ATOM 627 CE2 TYR A 42 5.615 3.263 -23.115 1.00 0.00 C ATOM 628 CZ TYR A 42 6.774 2.675 -23.578 1.00 0.00 C ATOM 629 OH TYR A 42 6.753 1.947 -24.745 1.00 0.00 O ATOM 0 H TYR A 42 6.704 5.935 -17.676 1.00 0.00 H new ATOM 0 HA TYR A 42 5.809 3.476 -18.757 1.00 0.00 H new ATOM 0 HB2 TYR A 42 6.030 5.677 -19.956 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.773 5.509 -19.884 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.895 3.651 -21.158 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.732 4.454 -21.584 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.860 2.356 -23.243 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.693 3.152 -23.666 1.00 0.00 H new ATOM 0 HH TYR A 42 5.825 1.798 -25.021 1.00 0.00 H new ATOM 639 N GLU A 43 8.972 3.678 -17.919 1.00 0.00 N ATOM 640 CA GLU A 43 10.190 2.901 -17.725 1.00 0.00 C ATOM 641 C GLU A 43 9.910 1.645 -16.906 1.00 0.00 C ATOM 642 O GLU A 43 10.575 0.622 -17.071 1.00 0.00 O ATOM 643 CB GLU A 43 11.257 3.749 -17.030 1.00 0.00 C ATOM 644 CG GLU A 43 12.046 4.634 -17.981 1.00 0.00 C ATOM 645 CD GLU A 43 13.227 3.914 -18.604 1.00 0.00 C ATOM 646 OE1 GLU A 43 14.187 3.602 -17.869 1.00 0.00 O ATOM 647 OE2 GLU A 43 13.189 3.661 -19.826 1.00 0.00 O ATOM 0 H GLU A 43 9.010 4.624 -17.540 1.00 0.00 H new ATOM 0 HA GLU A 43 10.558 2.599 -18.706 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.778 4.375 -16.277 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.947 3.090 -16.504 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.385 4.992 -18.771 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.403 5.512 -17.442 1.00 0.00 H new ATOM 654 N ASP A 44 8.922 1.730 -16.022 1.00 0.00 N ATOM 655 CA ASP A 44 8.553 0.601 -15.176 1.00 0.00 C ATOM 656 C ASP A 44 7.408 -0.192 -15.798 1.00 0.00 C ATOM 657 O ASP A 44 6.898 -1.139 -15.199 1.00 0.00 O ATOM 658 CB ASP A 44 8.154 1.089 -13.783 1.00 0.00 C ATOM 659 CG ASP A 44 8.421 0.054 -12.708 1.00 0.00 C ATOM 660 OD1 ASP A 44 7.960 -1.096 -12.864 1.00 0.00 O ATOM 661 OD2 ASP A 44 9.093 0.394 -11.712 1.00 0.00 O ATOM 0 H ASP A 44 8.362 2.569 -15.873 1.00 0.00 H new ATOM 0 HA ASP A 44 9.420 -0.054 -15.088 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.704 2.001 -13.550 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.095 1.346 -13.781 1.00 0.00 H new ATOM 666 N PHE A 45 7.008 0.201 -17.003 1.00 0.00 N ATOM 667 CA PHE A 45 5.921 -0.471 -17.705 1.00 0.00 C ATOM 668 C PHE A 45 4.602 -0.298 -16.958 1.00 0.00 C ATOM 669 O PHE A 45 3.853 -1.257 -16.767 1.00 0.00 O ATOM 670 CB PHE A 45 6.236 -1.960 -17.870 1.00 0.00 C ATOM 671 CG PHE A 45 7.549 -2.223 -18.549 1.00 0.00 C ATOM 672 CD1 PHE A 45 8.718 -2.323 -17.812 1.00 0.00 C ATOM 673 CD2 PHE A 45 7.615 -2.371 -19.925 1.00 0.00 C ATOM 674 CE1 PHE A 45 9.928 -2.566 -18.434 1.00 0.00 C ATOM 675 CE2 PHE A 45 8.822 -2.614 -20.553 1.00 0.00 C ATOM 676 CZ PHE A 45 9.980 -2.711 -19.806 1.00 0.00 C ATOM 0 H PHE A 45 7.421 0.982 -17.514 1.00 0.00 H new ATOM 0 HA PHE A 45 5.822 -0.016 -18.691 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.243 -2.433 -16.888 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.438 -2.430 -18.445 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.683 -2.210 -16.739 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.713 -2.296 -20.514 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.832 -2.642 -17.848 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.860 -2.728 -21.626 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.924 -2.900 -20.294 1.00 0.00 H new ATOM 686 N LEU A 46 4.324 0.931 -16.538 1.00 0.00 N ATOM 687 CA LEU A 46 3.094 1.232 -15.813 1.00 0.00 C ATOM 688 C LEU A 46 1.996 1.688 -16.768 1.00 0.00 C ATOM 689 O LEU A 46 0.809 1.515 -16.494 1.00 0.00 O ATOM 690 CB LEU A 46 3.351 2.311 -14.760 1.00 0.00 C ATOM 691 CG LEU A 46 4.059 1.850 -13.485 1.00 0.00 C ATOM 692 CD1 LEU A 46 4.259 3.019 -12.533 1.00 0.00 C ATOM 693 CD2 LEU A 46 3.271 0.738 -12.809 1.00 0.00 C ATOM 0 H LEU A 46 4.933 1.735 -16.687 1.00 0.00 H new ATOM 0 HA LEU A 46 2.762 0.320 -15.317 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.946 3.102 -15.217 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.395 2.753 -14.481 1.00 0.00 H new ATOM 0 HG LEU A 46 5.039 1.459 -13.758 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.764 2.672 -11.632 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.866 3.783 -13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.290 3.441 -12.266 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.790 0.423 -11.904 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.277 1.102 -12.549 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.181 -0.109 -13.489 1.00 0.00 H new ATOM 705 N PHE A 47 2.401 2.271 -17.892 1.00 0.00 N ATOM 706 CA PHE A 47 1.452 2.752 -18.889 1.00 0.00 C ATOM 707 C PHE A 47 0.601 1.605 -19.427 1.00 0.00 C ATOM 708 O PHE A 47 0.964 0.432 -19.332 1.00 0.00 O ATOM 709 CB PHE A 47 2.192 3.437 -20.040 1.00 0.00 C ATOM 710 CG PHE A 47 2.441 4.900 -19.806 1.00 0.00 C ATOM 711 CD1 PHE A 47 3.458 5.317 -18.963 1.00 0.00 C ATOM 712 CD2 PHE A 47 1.657 5.857 -20.429 1.00 0.00 C ATOM 713 CE1 PHE A 47 3.689 6.662 -18.746 1.00 0.00 C ATOM 714 CE2 PHE A 47 1.883 7.204 -20.216 1.00 0.00 C ATOM 715 CZ PHE A 47 2.901 7.607 -19.374 1.00 0.00 C ATOM 0 H PHE A 47 3.380 2.422 -18.135 1.00 0.00 H new ATOM 0 HA PHE A 47 0.793 3.476 -18.408 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.146 2.935 -20.198 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.613 3.317 -20.956 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.077 4.583 -18.470 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.860 5.547 -21.089 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.485 6.974 -18.086 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.264 7.940 -20.707 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.081 8.659 -19.207 1.00 0.00 H new ATOM 725 N PRO A 48 -0.558 1.950 -20.007 1.00 0.00 N ATOM 726 CA PRO A 48 -1.000 3.343 -20.125 1.00 0.00 C ATOM 727 C PRO A 48 -1.381 3.947 -18.777 1.00 0.00 C ATOM 728 O PRO A 48 -1.646 3.224 -17.816 1.00 0.00 O ATOM 729 CB PRO A 48 -2.227 3.250 -21.035 1.00 0.00 C ATOM 730 CG PRO A 48 -2.738 1.864 -20.841 1.00 0.00 C ATOM 731 CD PRO A 48 -1.527 1.008 -20.590 1.00 0.00 C ATOM 0 HA PRO A 48 -0.212 3.989 -20.513 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.979 3.991 -20.763 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.962 3.432 -22.077 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.430 1.817 -20.000 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.282 1.522 -21.721 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.750 0.187 -19.908 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.151 0.564 -21.512 1.00 0.00 H new ATOM 739 N ILE A 49 -1.405 5.274 -18.714 1.00 0.00 N ATOM 740 CA ILE A 49 -1.754 5.973 -17.484 1.00 0.00 C ATOM 741 C ILE A 49 -3.068 6.733 -17.637 1.00 0.00 C ATOM 742 O ILE A 49 -3.606 6.846 -18.739 1.00 0.00 O ATOM 743 CB ILE A 49 -0.649 6.961 -17.065 1.00 0.00 C ATOM 744 CG1 ILE A 49 -0.612 8.154 -18.022 1.00 0.00 C ATOM 745 CG2 ILE A 49 0.701 6.261 -17.030 1.00 0.00 C ATOM 746 CD1 ILE A 49 0.214 9.314 -17.510 1.00 0.00 C ATOM 0 H ILE A 49 -1.187 5.886 -19.500 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.864 5.213 -16.710 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.872 7.329 -16.064 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.210 7.828 -18.981 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.631 8.496 -18.203 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.472 6.972 -16.732 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.667 5.441 -16.313 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.933 5.868 -18.020 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.195 10.124 -18.239 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.200 9.667 -16.566 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.243 8.988 -17.356 1.00 0.00 H new ATOM 758 N ASP A 50 -3.577 7.253 -16.526 1.00 0.00 N ATOM 759 CA ASP A 50 -4.827 8.004 -16.536 1.00 0.00 C ATOM 760 C ASP A 50 -4.584 9.457 -16.933 1.00 0.00 C ATOM 761 O ASP A 50 -4.250 10.292 -16.092 1.00 0.00 O ATOM 762 CB ASP A 50 -5.495 7.942 -15.162 1.00 0.00 C ATOM 763 CG ASP A 50 -7.006 8.042 -15.248 1.00 0.00 C ATOM 764 OD1 ASP A 50 -7.502 8.862 -16.049 1.00 0.00 O ATOM 765 OD2 ASP A 50 -7.691 7.299 -14.515 1.00 0.00 O ATOM 0 H ASP A 50 -3.143 7.168 -15.607 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.489 7.551 -17.273 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.223 7.008 -14.671 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.115 8.752 -14.539 1.00 0.00 H new ATOM 770 N ILE A 51 -4.754 9.751 -18.217 1.00 0.00 N ATOM 771 CA ILE A 51 -4.553 11.103 -18.724 1.00 0.00 C ATOM 772 C ILE A 51 -5.424 12.106 -17.975 1.00 0.00 C ATOM 773 O ILE A 51 -4.985 13.212 -17.662 1.00 0.00 O ATOM 774 CB ILE A 51 -4.866 11.192 -20.229 1.00 0.00 C ATOM 775 CG1 ILE A 51 -4.051 10.155 -21.004 1.00 0.00 C ATOM 776 CG2 ILE A 51 -4.580 12.593 -20.748 1.00 0.00 C ATOM 777 CD1 ILE A 51 -2.562 10.426 -20.994 1.00 0.00 C ATOM 0 H ILE A 51 -5.030 9.071 -18.926 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.503 11.347 -18.565 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.925 10.980 -20.378 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.235 9.168 -20.579 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.400 10.128 -22.036 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.806 12.640 -21.813 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.200 13.313 -20.214 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.528 12.832 -20.590 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.047 9.651 -21.562 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.366 11.398 -21.446 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.199 10.424 -19.966 1.00 0.00 H new ATOM 789 N SER A 52 -6.660 11.710 -17.689 1.00 0.00 N ATOM 790 CA SER A 52 -7.595 12.575 -16.979 1.00 0.00 C ATOM 791 C SER A 52 -6.999 13.048 -15.656 1.00 0.00 C ATOM 792 O SER A 52 -7.245 14.172 -15.217 1.00 0.00 O ATOM 793 CB SER A 52 -8.911 11.839 -16.723 1.00 0.00 C ATOM 794 OG SER A 52 -8.813 10.997 -15.587 1.00 0.00 O ATOM 0 H SER A 52 -7.037 10.796 -17.938 1.00 0.00 H new ATOM 0 HA SER A 52 -7.790 13.447 -17.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.713 12.562 -16.575 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.175 11.245 -17.598 1.00 0.00 H new ATOM 0 HG SER A 52 -8.018 10.430 -15.668 1.00 0.00 H new ATOM 800 N LEU A 53 -6.213 12.182 -15.025 1.00 0.00 N ATOM 801 CA LEU A 53 -5.580 12.509 -13.752 1.00 0.00 C ATOM 802 C LEU A 53 -4.521 13.592 -13.933 1.00 0.00 C ATOM 803 O LEU A 53 -4.432 14.528 -13.139 1.00 0.00 O ATOM 804 CB LEU A 53 -4.949 11.259 -13.138 1.00 0.00 C ATOM 805 CG LEU A 53 -5.847 10.441 -12.209 1.00 0.00 C ATOM 806 CD1 LEU A 53 -6.193 11.240 -10.962 1.00 0.00 C ATOM 807 CD2 LEU A 53 -7.111 10.007 -12.935 1.00 0.00 C ATOM 0 H LEU A 53 -5.999 11.248 -15.374 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.349 12.888 -13.078 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.612 10.612 -13.947 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.062 11.560 -12.581 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.303 9.547 -11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.833 10.642 -10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.277 11.500 -10.430 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.717 12.152 -11.248 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.738 9.426 -12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.658 10.888 -13.271 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.844 9.396 -13.797 1.00 0.00 H new ATOM 819 N VAL A 54 -3.720 13.458 -14.986 1.00 0.00 N ATOM 820 CA VAL A 54 -2.668 14.426 -15.273 1.00 0.00 C ATOM 821 C VAL A 54 -3.202 15.853 -15.212 1.00 0.00 C ATOM 822 O VAL A 54 -2.543 16.752 -14.691 1.00 0.00 O ATOM 823 CB VAL A 54 -2.044 14.182 -16.661 1.00 0.00 C ATOM 824 CG1 VAL A 54 -1.094 15.312 -17.025 1.00 0.00 C ATOM 825 CG2 VAL A 54 -1.328 12.840 -16.694 1.00 0.00 C ATOM 0 H VAL A 54 -3.780 12.689 -15.654 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.901 14.295 -14.510 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.844 14.160 -17.401 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.663 15.123 -18.008 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.641 16.255 -17.044 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.297 15.370 -16.284 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.893 12.684 -17.681 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.537 12.831 -15.944 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.040 12.043 -16.481 1.00 0.00 H new ATOM 835 N LYS A 55 -4.401 16.053 -15.749 1.00 0.00 N ATOM 836 CA LYS A 55 -5.027 17.370 -15.754 1.00 0.00 C ATOM 837 C LYS A 55 -5.643 17.685 -14.394 1.00 0.00 C ATOM 838 O LYS A 55 -5.536 18.807 -13.899 1.00 0.00 O ATOM 839 CB LYS A 55 -6.102 17.442 -16.841 1.00 0.00 C ATOM 840 CG LYS A 55 -5.599 17.050 -18.220 1.00 0.00 C ATOM 841 CD LYS A 55 -6.710 16.458 -19.070 1.00 0.00 C ATOM 842 CE LYS A 55 -7.477 17.539 -19.817 1.00 0.00 C ATOM 843 NZ LYS A 55 -8.320 18.355 -18.899 1.00 0.00 N ATOM 0 H LYS A 55 -4.959 15.320 -16.186 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.255 18.111 -15.964 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.930 16.788 -16.566 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.498 18.457 -16.883 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.184 17.925 -18.720 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.790 16.326 -18.121 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.286 15.752 -19.784 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.396 15.897 -18.435 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.774 18.189 -20.339 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.108 17.078 -20.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.132 18.740 -19.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.663 17.758 -18.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.755 19.138 -18.513 1.00 0.00 H new ATOM 857 N ARG A 56 -6.285 16.687 -13.795 1.00 0.00 N ATOM 858 CA ARG A 56 -6.917 16.859 -12.492 1.00 0.00 C ATOM 859 C ARG A 56 -5.889 17.257 -11.438 1.00 0.00 C ATOM 860 O ARG A 56 -6.206 17.971 -10.487 1.00 0.00 O ATOM 861 CB ARG A 56 -7.622 15.568 -12.070 1.00 0.00 C ATOM 862 CG ARG A 56 -8.198 15.621 -10.664 1.00 0.00 C ATOM 863 CD ARG A 56 -9.055 14.401 -10.367 1.00 0.00 C ATOM 864 NE ARG A 56 -9.042 14.055 -8.949 1.00 0.00 N ATOM 865 CZ ARG A 56 -9.833 14.624 -8.046 1.00 0.00 C ATOM 866 NH1 ARG A 56 -10.696 15.562 -8.413 1.00 0.00 N ATOM 867 NH2 ARG A 56 -9.763 14.255 -6.774 1.00 0.00 N ATOM 0 H ARG A 56 -6.381 15.752 -14.191 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.654 17.658 -12.576 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.426 15.355 -12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.915 14.741 -12.133 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.386 15.682 -9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.797 16.524 -10.549 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.080 14.592 -10.684 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.694 13.554 -10.950 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.390 13.337 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.753 15.848 -9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.302 15.997 -7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.101 13.533 -6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.371 14.693 -6.082 1.00 0.00 H new ATOM 881 N GLU A 57 -4.656 16.791 -11.614 1.00 0.00 N ATOM 882 CA GLU A 57 -3.583 17.098 -10.676 1.00 0.00 C ATOM 883 C GLU A 57 -2.891 18.406 -11.050 1.00 0.00 C ATOM 884 O GLU A 57 -2.588 19.230 -10.187 1.00 0.00 O ATOM 885 CB GLU A 57 -2.561 15.959 -10.645 1.00 0.00 C ATOM 886 CG GLU A 57 -2.876 14.887 -9.615 1.00 0.00 C ATOM 887 CD GLU A 57 -2.316 15.213 -8.244 1.00 0.00 C ATOM 888 OE1 GLU A 57 -1.114 14.962 -8.020 1.00 0.00 O ATOM 889 OE2 GLU A 57 -3.080 15.719 -7.396 1.00 0.00 O ATOM 0 H GLU A 57 -4.376 16.200 -12.397 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.023 17.210 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.512 15.499 -11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.574 16.373 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.957 14.765 -9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.469 13.934 -9.952 1.00 0.00 H new ATOM 896 N HIS A 58 -2.645 18.589 -12.344 1.00 0.00 N ATOM 897 CA HIS A 58 -1.988 19.796 -12.833 1.00 0.00 C ATOM 898 C HIS A 58 -2.997 20.734 -13.490 1.00 0.00 C ATOM 899 O HIS A 58 -2.676 21.429 -14.455 1.00 0.00 O ATOM 900 CB HIS A 58 -0.886 19.435 -13.829 1.00 0.00 C ATOM 901 CG HIS A 58 0.040 18.367 -13.335 1.00 0.00 C ATOM 902 ND1 HIS A 58 1.413 18.453 -13.440 1.00 0.00 N ATOM 903 CD2 HIS A 58 -0.215 17.184 -12.729 1.00 0.00 C ATOM 904 CE1 HIS A 58 1.961 17.369 -12.921 1.00 0.00 C ATOM 905 NE2 HIS A 58 0.994 16.583 -12.482 1.00 0.00 N ATOM 0 H HIS A 58 -2.890 17.918 -13.072 1.00 0.00 H new ATOM 0 HA HIS A 58 -1.542 20.309 -11.981 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -1.344 19.105 -14.761 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.307 20.330 -14.058 1.00 0.00 H new ATOM 0 HD1 HIS A 58 1.925 19.232 -13.854 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.189 16.787 -12.485 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.019 17.161 -12.865 1.00 0.00 H new ATOM 913 N ASP A 59 -4.216 20.748 -12.963 1.00 0.00 N ATOM 914 CA ASP A 59 -5.271 21.600 -13.498 1.00 0.00 C ATOM 915 C ASP A 59 -4.793 23.043 -13.623 1.00 0.00 C ATOM 916 O ASP A 59 -5.205 23.769 -14.527 1.00 0.00 O ATOM 917 CB ASP A 59 -6.510 21.536 -12.604 1.00 0.00 C ATOM 918 CG ASP A 59 -6.480 22.571 -11.497 1.00 0.00 C ATOM 919 OD1 ASP A 59 -6.684 23.766 -11.796 1.00 0.00 O ATOM 920 OD2 ASP A 59 -6.253 22.186 -10.331 1.00 0.00 O ATOM 0 H ASP A 59 -4.498 20.179 -12.165 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.530 21.235 -14.492 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.402 21.685 -13.213 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.587 20.541 -12.165 1.00 0.00 H new ATOM 925 N PHE A 60 -3.921 23.454 -12.708 1.00 0.00 N ATOM 926 CA PHE A 60 -3.387 24.811 -12.714 1.00 0.00 C ATOM 927 C PHE A 60 -2.836 25.172 -14.091 1.00 0.00 C ATOM 928 O PHE A 60 -3.091 26.260 -14.608 1.00 0.00 O ATOM 929 CB PHE A 60 -2.288 24.954 -11.659 1.00 0.00 C ATOM 930 CG PHE A 60 -1.052 24.159 -11.969 1.00 0.00 C ATOM 931 CD1 PHE A 60 -0.951 22.832 -11.585 1.00 0.00 C ATOM 932 CD2 PHE A 60 0.009 24.740 -12.645 1.00 0.00 C ATOM 933 CE1 PHE A 60 0.186 22.099 -11.869 1.00 0.00 C ATOM 934 CE2 PHE A 60 1.149 24.011 -12.932 1.00 0.00 C ATOM 935 CZ PHE A 60 1.236 22.689 -12.544 1.00 0.00 C ATOM 0 H PHE A 60 -3.569 22.866 -11.952 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.201 25.496 -12.476 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.020 26.006 -11.566 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.680 24.638 -10.692 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.770 22.365 -11.058 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.055 25.774 -12.951 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.253 21.065 -11.563 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.970 24.475 -13.459 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.124 22.117 -12.768 1.00 0.00 H new ATOM 945 N LEU A 61 -2.080 24.251 -14.679 1.00 0.00 N ATOM 946 CA LEU A 61 -1.493 24.471 -15.996 1.00 0.00 C ATOM 947 C LEU A 61 -2.491 25.145 -16.932 1.00 0.00 C ATOM 948 O LEU A 61 -3.694 25.154 -16.670 1.00 0.00 O ATOM 949 CB LEU A 61 -1.028 23.144 -16.597 1.00 0.00 C ATOM 950 CG LEU A 61 0.280 22.577 -16.042 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.521 21.173 -16.574 1.00 0.00 C ATOM 952 CD2 LEU A 61 1.447 23.490 -16.391 1.00 0.00 C ATOM 0 H LEU A 61 -1.859 23.345 -14.265 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.633 25.130 -15.877 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.814 22.404 -16.446 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.916 23.275 -17.673 1.00 0.00 H new ATOM 0 HG LEU A 61 0.199 22.523 -14.956 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.456 20.786 -16.169 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.301 20.524 -16.273 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.582 21.202 -17.662 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.369 23.071 -15.988 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.530 23.576 -17.474 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.278 24.477 -15.960 1.00 0.00 H new ATOM 964 N ASP A 62 -1.985 25.705 -18.025 1.00 0.00 N ATOM 965 CA ASP A 62 -2.832 26.377 -19.002 1.00 0.00 C ATOM 966 C ASP A 62 -3.290 25.405 -20.085 1.00 0.00 C ATOM 967 O ASP A 62 -2.725 24.322 -20.240 1.00 0.00 O ATOM 968 CB ASP A 62 -2.084 27.551 -19.637 1.00 0.00 C ATOM 969 CG ASP A 62 -1.815 28.668 -18.648 1.00 0.00 C ATOM 970 OD1 ASP A 62 -1.444 28.364 -17.496 1.00 0.00 O ATOM 971 OD2 ASP A 62 -1.977 29.847 -19.027 1.00 0.00 O ATOM 0 H ASP A 62 -0.992 25.707 -18.256 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.712 26.755 -18.482 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.138 27.197 -20.047 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.667 27.941 -20.472 1.00 0.00 H new ATOM 976 N ARG A 63 -4.317 25.799 -20.831 1.00 0.00 N ATOM 977 CA ARG A 63 -4.852 24.961 -21.897 1.00 0.00 C ATOM 978 C ARG A 63 -3.742 24.504 -22.839 1.00 0.00 C ATOM 979 O ARG A 63 -3.676 23.334 -23.215 1.00 0.00 O ATOM 980 CB ARG A 63 -5.922 25.721 -22.684 1.00 0.00 C ATOM 981 CG ARG A 63 -6.735 24.838 -23.616 1.00 0.00 C ATOM 982 CD ARG A 63 -8.040 25.506 -24.020 1.00 0.00 C ATOM 983 NE ARG A 63 -9.066 24.532 -24.379 1.00 0.00 N ATOM 984 CZ ARG A 63 -10.199 24.850 -24.996 1.00 0.00 C ATOM 985 NH1 ARG A 63 -10.448 26.111 -25.322 1.00 0.00 N ATOM 986 NH2 ARG A 63 -11.084 23.906 -25.289 1.00 0.00 N ATOM 0 H ARG A 63 -4.795 26.693 -20.717 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.303 24.080 -21.440 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.596 26.212 -21.983 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.442 26.506 -23.268 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.150 24.612 -24.507 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.948 23.888 -23.125 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.400 26.125 -23.198 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.860 26.171 -24.865 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.904 23.553 -24.143 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.769 26.839 -25.099 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.318 26.353 -25.796 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.895 22.935 -25.041 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.953 24.151 -25.763 1.00 0.00 H new ATOM 1000 N ASP A 64 -2.873 25.435 -23.216 1.00 0.00 N ATOM 1001 CA ASP A 64 -1.765 25.129 -24.114 1.00 0.00 C ATOM 1002 C ASP A 64 -0.785 24.162 -23.457 1.00 0.00 C ATOM 1003 O ASP A 64 -0.322 23.211 -24.084 1.00 0.00 O ATOM 1004 CB ASP A 64 -1.040 26.413 -24.520 1.00 0.00 C ATOM 1005 CG ASP A 64 0.409 26.167 -24.890 1.00 0.00 C ATOM 1006 OD1 ASP A 64 1.174 25.701 -24.018 1.00 0.00 O ATOM 1007 OD2 ASP A 64 0.780 26.439 -26.051 1.00 0.00 O ATOM 0 H ASP A 64 -2.914 26.408 -22.914 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.173 24.654 -25.006 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.556 26.866 -25.366 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.086 27.128 -23.699 1.00 0.00 H new ATOM 1012 N ALA A 65 -0.473 24.415 -22.190 1.00 0.00 N ATOM 1013 CA ALA A 65 0.453 23.567 -21.448 1.00 0.00 C ATOM 1014 C ALA A 65 -0.085 22.146 -21.322 1.00 0.00 C ATOM 1015 O ALA A 65 0.654 21.175 -21.491 1.00 0.00 O ATOM 1016 CB ALA A 65 0.719 24.156 -20.071 1.00 0.00 C ATOM 0 H ALA A 65 -0.847 25.199 -21.656 1.00 0.00 H new ATOM 0 HA ALA A 65 1.391 23.525 -22.001 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.412 23.513 -19.528 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.154 25.150 -20.178 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.218 24.228 -19.519 1.00 0.00 H new ATOM 1022 N ILE A 66 -1.375 22.030 -21.025 1.00 0.00 N ATOM 1023 CA ILE A 66 -2.010 20.727 -20.875 1.00 0.00 C ATOM 1024 C ILE A 66 -2.082 19.994 -22.211 1.00 0.00 C ATOM 1025 O ILE A 66 -1.943 18.773 -22.267 1.00 0.00 O ATOM 1026 CB ILE A 66 -3.432 20.856 -20.297 1.00 0.00 C ATOM 1027 CG1 ILE A 66 -3.370 21.165 -18.800 1.00 0.00 C ATOM 1028 CG2 ILE A 66 -4.224 19.582 -20.549 1.00 0.00 C ATOM 1029 CD1 ILE A 66 -2.889 20.001 -17.962 1.00 0.00 C ATOM 0 H ILE A 66 -2.001 22.823 -20.884 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.395 20.155 -20.181 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.940 21.680 -20.798 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.707 22.016 -18.640 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.361 21.464 -18.458 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.227 19.689 -20.135 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.292 19.402 -21.622 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.722 18.741 -20.071 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.870 20.292 -16.912 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.564 19.155 -18.092 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.885 19.716 -18.277 1.00 0.00 H new ATOM 1041 N GLU A 67 -2.297 20.749 -23.283 1.00 0.00 N ATOM 1042 CA GLU A 67 -2.386 20.171 -24.619 1.00 0.00 C ATOM 1043 C GLU A 67 -1.045 19.581 -25.046 1.00 0.00 C ATOM 1044 O GLU A 67 -0.989 18.504 -25.639 1.00 0.00 O ATOM 1045 CB GLU A 67 -2.835 21.229 -25.629 1.00 0.00 C ATOM 1046 CG GLU A 67 -4.344 21.326 -25.778 1.00 0.00 C ATOM 1047 CD GLU A 67 -4.909 20.266 -26.703 1.00 0.00 C ATOM 1048 OE1 GLU A 67 -4.977 20.518 -27.924 1.00 0.00 O ATOM 1049 OE2 GLU A 67 -5.281 19.182 -26.205 1.00 0.00 O ATOM 0 H GLU A 67 -2.413 21.762 -23.253 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.125 19.370 -24.592 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.445 22.200 -25.323 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.396 21.001 -26.600 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.809 21.231 -24.797 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.605 22.313 -26.160 1.00 0.00 H new ATOM 1056 N ALA A 68 0.033 20.296 -24.742 1.00 0.00 N ATOM 1057 CA ALA A 68 1.374 19.844 -25.092 1.00 0.00 C ATOM 1058 C ALA A 68 1.789 18.647 -24.242 1.00 0.00 C ATOM 1059 O ALA A 68 2.407 17.705 -24.739 1.00 0.00 O ATOM 1060 CB ALA A 68 2.373 20.980 -24.932 1.00 0.00 C ATOM 0 H ALA A 68 0.004 21.191 -24.254 1.00 0.00 H new ATOM 0 HA ALA A 68 1.364 19.529 -26.136 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.370 20.628 -25.197 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.094 21.805 -25.587 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.372 21.322 -23.897 1.00 0.00 H new ATOM 1066 N LEU A 69 1.447 18.692 -22.959 1.00 0.00 N ATOM 1067 CA LEU A 69 1.785 17.612 -22.039 1.00 0.00 C ATOM 1068 C LEU A 69 1.068 16.322 -22.427 1.00 0.00 C ATOM 1069 O LEU A 69 1.696 15.274 -22.585 1.00 0.00 O ATOM 1070 CB LEU A 69 1.417 18.002 -20.607 1.00 0.00 C ATOM 1071 CG LEU A 69 1.489 16.882 -19.567 1.00 0.00 C ATOM 1072 CD1 LEU A 69 2.914 16.369 -19.432 1.00 0.00 C ATOM 1073 CD2 LEU A 69 0.965 17.368 -18.223 1.00 0.00 C ATOM 0 H LEU A 69 0.936 19.465 -22.532 1.00 0.00 H new ATOM 0 HA LEU A 69 2.860 17.441 -22.098 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.078 18.808 -20.290 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.404 18.403 -20.610 1.00 0.00 H new ATOM 0 HG LEU A 69 0.859 16.059 -19.904 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.945 15.573 -18.688 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.254 15.981 -20.392 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.566 17.184 -19.119 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.024 16.559 -17.495 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.568 18.209 -17.880 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.072 17.685 -18.330 1.00 0.00 H new ATOM 1085 N CYS A 70 -0.249 16.407 -22.581 1.00 0.00 N ATOM 1086 CA CYS A 70 -1.051 15.246 -22.952 1.00 0.00 C ATOM 1087 C CYS A 70 -0.542 14.625 -24.249 1.00 0.00 C ATOM 1088 O CYS A 70 -0.612 13.410 -24.436 1.00 0.00 O ATOM 1089 CB CYS A 70 -2.520 15.644 -23.106 1.00 0.00 C ATOM 1090 SG CYS A 70 -3.607 14.282 -23.589 1.00 0.00 S ATOM 0 H CYS A 70 -0.784 17.267 -22.455 1.00 0.00 H new ATOM 0 HA CYS A 70 -0.963 14.506 -22.157 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.874 16.060 -22.162 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.595 16.436 -23.851 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.902 13.338 -24.138 1.00 0.00 H new ATOM 1096 N ARG A 71 -0.031 15.466 -25.141 1.00 0.00 N ATOM 1097 CA ARG A 71 0.490 15.000 -26.421 1.00 0.00 C ATOM 1098 C ARG A 71 1.638 14.016 -26.215 1.00 0.00 C ATOM 1099 O ARG A 71 1.992 13.261 -27.120 1.00 0.00 O ATOM 1100 CB ARG A 71 0.964 16.184 -27.265 1.00 0.00 C ATOM 1101 CG ARG A 71 -0.153 16.867 -28.038 1.00 0.00 C ATOM 1102 CD ARG A 71 0.324 18.161 -28.679 1.00 0.00 C ATOM 1103 NE ARG A 71 1.211 17.916 -29.812 1.00 0.00 N ATOM 1104 CZ ARG A 71 0.786 17.514 -31.005 1.00 0.00 C ATOM 1105 NH1 ARG A 71 -0.507 17.313 -31.218 1.00 0.00 N ATOM 1106 NH2 ARG A 71 1.655 17.312 -31.987 1.00 0.00 N ATOM 0 H ARG A 71 0.034 16.474 -25.001 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.315 14.487 -26.947 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.443 16.915 -26.614 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.722 15.838 -27.968 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.528 16.194 -28.809 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.986 17.077 -27.367 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.538 18.740 -29.012 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.845 18.764 -27.935 1.00 0.00 H new ATOM 0 HE ARG A 71 2.212 18.061 -29.681 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.178 17.467 -30.465 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.831 17.004 -32.135 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.651 17.465 -31.827 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.328 17.003 -32.902 1.00 0.00 H new ATOM 1120 N ARG A 72 2.216 14.032 -25.018 1.00 0.00 N ATOM 1121 CA ARG A 72 3.324 13.142 -24.693 1.00 0.00 C ATOM 1122 C ARG A 72 2.825 11.889 -23.980 1.00 0.00 C ATOM 1123 O ARG A 72 3.313 10.785 -24.227 1.00 0.00 O ATOM 1124 CB ARG A 72 4.348 13.867 -23.818 1.00 0.00 C ATOM 1125 CG ARG A 72 5.419 14.598 -24.611 1.00 0.00 C ATOM 1126 CD ARG A 72 4.839 15.776 -25.377 1.00 0.00 C ATOM 1127 NE ARG A 72 5.825 16.395 -26.258 1.00 0.00 N ATOM 1128 CZ ARG A 72 5.505 17.155 -27.300 1.00 0.00 C ATOM 1129 NH1 ARG A 72 4.233 17.388 -27.589 1.00 0.00 N ATOM 1130 NH2 ARG A 72 6.460 17.683 -28.055 1.00 0.00 N ATOM 0 H ARG A 72 1.935 14.651 -24.258 1.00 0.00 H new ATOM 0 HA ARG A 72 3.801 12.841 -25.626 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.827 14.583 -23.182 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.827 13.143 -23.159 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.197 14.951 -23.934 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.892 13.907 -25.308 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.986 15.440 -25.967 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.466 16.519 -24.672 1.00 0.00 H new ATOM 0 HE ARG A 72 6.813 16.235 -26.063 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.496 16.984 -27.011 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.991 17.972 -28.389 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.440 17.506 -27.836 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.214 18.266 -28.855 1.00 0.00 H new ATOM 1144 N LEU A 73 1.851 12.067 -23.095 1.00 0.00 N ATOM 1145 CA LEU A 73 1.286 10.951 -22.344 1.00 0.00 C ATOM 1146 C LEU A 73 0.524 10.005 -23.266 1.00 0.00 C ATOM 1147 O LEU A 73 0.766 8.799 -23.272 1.00 0.00 O ATOM 1148 CB LEU A 73 0.358 11.469 -21.244 1.00 0.00 C ATOM 1149 CG LEU A 73 1.031 12.224 -20.097 1.00 0.00 C ATOM 1150 CD1 LEU A 73 2.231 11.447 -19.579 1.00 0.00 C ATOM 1151 CD2 LEU A 73 1.449 13.616 -20.548 1.00 0.00 C ATOM 0 H LEU A 73 1.436 12.973 -22.880 1.00 0.00 H new ATOM 0 HA LEU A 73 2.107 10.399 -21.887 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.382 12.127 -21.701 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.185 10.621 -20.825 1.00 0.00 H new ATOM 0 HG LEU A 73 0.312 12.328 -19.284 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.697 11.999 -18.763 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.905 10.472 -19.217 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.952 11.312 -20.385 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.926 14.139 -19.719 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.151 13.534 -21.378 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.570 14.173 -20.871 1.00 0.00 H new ATOM 1163 N ASN A 74 -0.398 10.562 -24.045 1.00 0.00 N ATOM 1164 CA ASN A 74 -1.196 9.768 -24.973 1.00 0.00 C ATOM 1165 C ASN A 74 -0.301 8.913 -25.866 1.00 0.00 C ATOM 1166 O ASN A 74 -0.586 7.740 -26.108 1.00 0.00 O ATOM 1167 CB ASN A 74 -2.073 10.679 -25.833 1.00 0.00 C ATOM 1168 CG ASN A 74 -1.378 11.113 -27.110 1.00 0.00 C ATOM 1169 OD1 ASN A 74 -1.020 10.285 -27.947 1.00 0.00 O ATOM 1170 ND2 ASN A 74 -1.184 12.418 -27.264 1.00 0.00 N ATOM 0 H ASN A 74 -0.611 11.559 -24.052 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.835 9.106 -24.389 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.997 10.158 -26.084 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -2.351 11.561 -25.256 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.722 12.769 -28.102 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.498 13.069 -26.544 1.00 0.00 H new ATOM 1177 N THR A 75 0.783 9.509 -26.352 1.00 0.00 N ATOM 1178 CA THR A 75 1.719 8.804 -27.218 1.00 0.00 C ATOM 1179 C THR A 75 2.234 7.533 -26.552 1.00 0.00 C ATOM 1180 O THR A 75 2.532 6.544 -27.224 1.00 0.00 O ATOM 1181 CB THR A 75 2.918 9.695 -27.593 1.00 0.00 C ATOM 1182 OG1 THR A 75 2.481 10.785 -28.412 1.00 0.00 O ATOM 1183 CG2 THR A 75 3.979 8.892 -28.332 1.00 0.00 C ATOM 0 H THR A 75 1.034 10.479 -26.160 1.00 0.00 H new ATOM 0 HA THR A 75 1.174 8.541 -28.124 1.00 0.00 H new ATOM 0 HB THR A 75 3.355 10.084 -26.673 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.361 11.584 -27.857 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.816 9.542 -28.587 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.331 8.081 -27.695 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.551 8.477 -29.245 1.00 0.00 H new ATOM 1191 N LEU A 76 2.336 7.564 -25.228 1.00 0.00 N ATOM 1192 CA LEU A 76 2.815 6.414 -24.470 1.00 0.00 C ATOM 1193 C LEU A 76 1.674 5.447 -24.167 1.00 0.00 C ATOM 1194 O LEU A 76 1.877 4.236 -24.095 1.00 0.00 O ATOM 1195 CB LEU A 76 3.469 6.874 -23.166 1.00 0.00 C ATOM 1196 CG LEU A 76 4.580 7.915 -23.303 1.00 0.00 C ATOM 1197 CD1 LEU A 76 5.099 8.326 -21.934 1.00 0.00 C ATOM 1198 CD2 LEU A 76 5.713 7.375 -24.164 1.00 0.00 C ATOM 0 H LEU A 76 2.093 8.374 -24.657 1.00 0.00 H new ATOM 0 HA LEU A 76 3.556 5.893 -25.077 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.693 7.283 -22.519 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.878 6.000 -22.660 1.00 0.00 H new ATOM 0 HG LEU A 76 4.166 8.797 -23.792 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.889 9.067 -22.052 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.284 8.754 -21.349 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.496 7.452 -21.418 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.495 8.129 -24.251 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.124 6.477 -23.703 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.332 7.131 -25.156 1.00 0.00 H new ATOM 1210 N ASN A 77 0.475 5.992 -23.993 1.00 0.00 N ATOM 1211 CA ASN A 77 -0.699 5.178 -23.699 1.00 0.00 C ATOM 1212 C ASN A 77 -0.929 4.141 -24.794 1.00 0.00 C ATOM 1213 O ASN A 77 -1.451 3.055 -24.536 1.00 0.00 O ATOM 1214 CB ASN A 77 -1.937 6.065 -23.553 1.00 0.00 C ATOM 1215 CG ASN A 77 -2.147 6.535 -22.127 1.00 0.00 C ATOM 1216 OD1 ASN A 77 -3.068 6.087 -21.443 1.00 0.00 O ATOM 1217 ND2 ASN A 77 -1.291 7.442 -21.671 1.00 0.00 N ATOM 0 H ASN A 77 0.290 6.994 -24.050 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.522 4.655 -22.759 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.839 6.931 -24.207 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.817 5.513 -23.884 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.382 7.796 -20.719 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.543 7.785 -22.273 1.00 0.00 H new ATOM 1224 N LYS A 78 -0.536 4.481 -26.016 1.00 0.00 N ATOM 1225 CA LYS A 78 -0.698 3.580 -27.151 1.00 0.00 C ATOM 1226 C LYS A 78 0.599 2.831 -27.440 1.00 0.00 C ATOM 1227 O LYS A 78 0.585 1.755 -28.039 1.00 0.00 O ATOM 1228 CB LYS A 78 -1.134 4.363 -28.392 1.00 0.00 C ATOM 1229 CG LYS A 78 -0.031 5.218 -28.991 1.00 0.00 C ATOM 1230 CD LYS A 78 -0.538 6.041 -30.164 1.00 0.00 C ATOM 1231 CE LYS A 78 0.610 6.623 -30.973 1.00 0.00 C ATOM 1232 NZ LYS A 78 0.214 7.873 -31.679 1.00 0.00 N ATOM 0 H LYS A 78 -0.102 5.375 -26.246 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.469 2.852 -26.898 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.489 3.662 -29.147 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.976 5.003 -28.130 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.372 5.882 -28.226 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.788 4.579 -29.321 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.158 5.416 -30.807 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.172 6.848 -29.797 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.451 6.830 -30.312 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.951 5.887 -31.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.024 8.238 -32.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.572 7.670 -32.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.087 8.585 -30.983 1.00 0.00 H new ATOM 1246 N CYS A 79 1.717 3.405 -27.010 1.00 0.00 N ATOM 1247 CA CYS A 79 3.023 2.792 -27.223 1.00 0.00 C ATOM 1248 C CYS A 79 3.350 1.807 -26.106 1.00 0.00 C ATOM 1249 O CYS A 79 4.327 1.063 -26.186 1.00 0.00 O ATOM 1250 CB CYS A 79 4.107 3.867 -27.306 1.00 0.00 C ATOM 1251 SG CYS A 79 4.435 4.458 -28.983 1.00 0.00 S ATOM 0 H CYS A 79 1.745 4.294 -26.512 1.00 0.00 H new ATOM 0 HA CYS A 79 2.991 2.246 -28.166 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.812 4.713 -26.685 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.031 3.469 -26.885 1.00 0.00 H new ATOM 0 HG CYS A 79 4.407 5.758 -28.998 1.00 0.00 H new ATOM 1257 N ALA A 80 2.526 1.809 -25.062 1.00 0.00 N ATOM 1258 CA ALA A 80 2.727 0.916 -23.928 1.00 0.00 C ATOM 1259 C ALA A 80 1.793 -0.287 -24.005 1.00 0.00 C ATOM 1260 O ALA A 80 2.166 -1.400 -23.633 1.00 0.00 O ATOM 1261 CB ALA A 80 2.518 1.667 -22.622 1.00 0.00 C ATOM 0 H ALA A 80 1.713 2.420 -24.979 1.00 0.00 H new ATOM 0 HA ALA A 80 3.753 0.549 -23.963 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.671 0.988 -21.783 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.230 2.490 -22.557 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.503 2.062 -22.588 1.00 0.00 H new ATOM 1267 N VAL A 81 0.577 -0.057 -24.488 1.00 0.00 N ATOM 1268 CA VAL A 81 -0.411 -1.122 -24.614 1.00 0.00 C ATOM 1269 C VAL A 81 -0.299 -1.819 -25.965 1.00 0.00 C ATOM 1270 O VAL A 81 -0.872 -2.888 -26.173 1.00 0.00 O ATOM 1271 CB VAL A 81 -1.843 -0.582 -24.444 1.00 0.00 C ATOM 1272 CG1 VAL A 81 -2.266 0.208 -25.673 1.00 0.00 C ATOM 1273 CG2 VAL A 81 -2.813 -1.722 -24.174 1.00 0.00 C ATOM 0 H VAL A 81 0.252 0.858 -24.799 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.205 -1.840 -23.820 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.859 0.090 -23.586 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.281 0.581 -25.534 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.587 1.048 -25.817 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.234 -0.439 -26.550 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.820 -1.322 -24.056 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.795 -2.421 -25.010 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.520 -2.241 -23.261 1.00 0.00 H new