USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 60 GLN : amide:sc= -4.61! C(o=-4.6!,f=-5.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 28 GLN : amide:sc= -1.44 K(o=-1.4,f=-9.4!) USER MOD Single : A 30 MET CE :methyl 171:sc= 0 (180deg=-0.0626) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= 0.0492 (180deg=0.00642) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.604 K(o=-0.6,f=-2.6) USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= -0.233 (180deg=-0.82) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 75:sc= 0.0167 USER MOD Single : A 58 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -9:sc= -2.04 USER MOD Single : A 66 GLN : amide:sc= -0.0256 K(o=-0.026,f=-0.86) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.810 -2.222 4.687 1.00 0.00 N ATOM 320 CA PHE A 24 -12.082 -2.499 5.920 1.00 0.00 C ATOM 321 C PHE A 24 -12.836 -1.955 7.130 1.00 0.00 C ATOM 322 O PHE A 24 -13.642 -1.032 7.011 1.00 0.00 O ATOM 323 CB PHE A 24 -10.682 -1.885 5.859 1.00 0.00 C ATOM 324 CG PHE A 24 -9.974 -2.136 4.558 1.00 0.00 C ATOM 325 CD1 PHE A 24 -10.191 -1.312 3.466 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.091 -3.196 4.429 1.00 0.00 C ATOM 327 CE1 PHE A 24 -9.540 -1.540 2.268 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.437 -3.428 3.234 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.663 -2.600 2.151 1.00 0.00 C ATOM 0 HA PHE A 24 -11.993 -3.580 6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.758 -0.810 6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.081 -2.288 6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.877 -0.482 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.912 -3.848 5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.717 -0.890 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.749 -4.256 3.146 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.155 -2.782 1.215 1.00 0.00 H new ATOM 339 N THR A 25 -12.569 -2.535 8.296 1.00 0.00 N ATOM 340 CA THR A 25 -13.222 -2.112 9.528 1.00 0.00 C ATOM 341 C THR A 25 -12.368 -1.099 10.283 1.00 0.00 C ATOM 342 O THR A 25 -11.154 -1.035 10.094 1.00 0.00 O ATOM 343 CB THR A 25 -13.513 -3.310 10.451 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.289 -3.820 10.992 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.236 -4.413 9.693 1.00 0.00 C ATOM 0 H THR A 25 -11.904 -3.300 8.413 1.00 0.00 H new ATOM 0 HA THR A 25 -14.165 -1.647 9.241 1.00 0.00 H new ATOM 0 HB THR A 25 -14.154 -2.968 11.263 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.483 -4.580 11.579 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.431 -5.249 10.365 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.181 -4.030 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.615 -4.752 8.864 1.00 0.00 H new ATOM 353 N GLU A 26 -13.010 -0.311 11.139 1.00 0.00 N ATOM 354 CA GLU A 26 -12.308 0.698 11.923 1.00 0.00 C ATOM 355 C GLU A 26 -11.014 0.133 12.502 1.00 0.00 C ATOM 356 O GLU A 26 -9.984 0.809 12.527 1.00 0.00 O ATOM 357 CB GLU A 26 -13.203 1.214 13.051 1.00 0.00 C ATOM 358 CG GLU A 26 -14.087 2.380 12.643 1.00 0.00 C ATOM 359 CD GLU A 26 -14.415 3.299 13.803 1.00 0.00 C ATOM 360 OE1 GLU A 26 -13.588 4.183 14.110 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.496 3.134 14.405 1.00 0.00 O ATOM 0 H GLU A 26 -14.015 -0.352 11.307 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.058 1.527 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.833 0.398 13.405 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.577 1.520 13.889 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.588 2.953 11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.013 1.996 12.216 1.00 0.00 H new ATOM 368 N LEU A 27 -11.074 -1.109 12.968 1.00 0.00 N ATOM 369 CA LEU A 27 -9.908 -1.766 13.549 1.00 0.00 C ATOM 370 C LEU A 27 -8.839 -2.012 12.490 1.00 0.00 C ATOM 371 O LEU A 27 -7.681 -1.632 12.664 1.00 0.00 O ATOM 372 CB LEU A 27 -10.315 -3.090 14.197 1.00 0.00 C ATOM 373 CG LEU A 27 -9.360 -3.638 15.259 1.00 0.00 C ATOM 374 CD1 LEU A 27 -9.693 -3.061 16.626 1.00 0.00 C ATOM 375 CD2 LEU A 27 -9.416 -5.159 15.293 1.00 0.00 C ATOM 0 H LEU A 27 -11.918 -1.682 12.955 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.493 -1.108 14.312 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.298 -2.962 14.651 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.422 -3.838 13.412 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.346 -3.337 14.997 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.003 -3.462 17.368 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.601 -1.975 16.595 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.714 -3.331 16.896 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.730 -5.531 16.054 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.430 -5.481 15.530 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.128 -5.556 14.320 1.00 0.00 H new ATOM 387 N GLN A 28 -9.235 -2.648 11.392 1.00 0.00 N ATOM 388 CA GLN A 28 -8.310 -2.944 10.304 1.00 0.00 C ATOM 389 C GLN A 28 -7.635 -1.671 9.804 1.00 0.00 C ATOM 390 O GLN A 28 -6.422 -1.643 9.588 1.00 0.00 O ATOM 391 CB GLN A 28 -9.047 -3.631 9.153 1.00 0.00 C ATOM 392 CG GLN A 28 -9.539 -5.028 9.494 1.00 0.00 C ATOM 393 CD GLN A 28 -10.629 -5.507 8.555 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.089 -4.764 7.688 1.00 0.00 O ATOM 395 NE2 GLN A 28 -11.047 -6.756 8.723 1.00 0.00 N ATOM 0 H GLN A 28 -10.190 -2.968 11.232 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.541 -3.616 10.686 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.898 -3.017 8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.383 -3.689 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.701 -5.724 9.457 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.916 -5.037 10.517 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.638 -7.337 9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.778 -7.135 8.120 1.00 0.00 H new ATOM 404 N LEU A 29 -8.426 -0.620 9.622 1.00 0.00 N ATOM 405 CA LEU A 29 -7.904 0.657 9.146 1.00 0.00 C ATOM 406 C LEU A 29 -6.955 1.273 10.170 1.00 0.00 C ATOM 407 O LEU A 29 -5.916 1.827 9.813 1.00 0.00 O ATOM 408 CB LEU A 29 -9.053 1.623 8.853 1.00 0.00 C ATOM 409 CG LEU A 29 -9.792 1.406 7.532 1.00 0.00 C ATOM 410 CD1 LEU A 29 -11.039 2.274 7.468 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.875 1.699 6.353 1.00 0.00 C ATOM 0 H LEU A 29 -9.431 -0.626 9.797 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.348 0.474 8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.776 1.554 9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.658 2.639 8.863 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.099 0.361 7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.551 2.106 6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.705 2.016 8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.756 3.324 7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.418 1.539 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.537 2.734 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.012 1.034 6.389 1.00 0.00 H new ATOM 423 N MET A 30 -7.320 1.170 11.444 1.00 0.00 N ATOM 424 CA MET A 30 -6.500 1.715 12.519 1.00 0.00 C ATOM 425 C MET A 30 -5.131 1.042 12.553 1.00 0.00 C ATOM 426 O MET A 30 -4.116 1.690 12.804 1.00 0.00 O ATOM 427 CB MET A 30 -7.202 1.535 13.866 1.00 0.00 C ATOM 428 CG MET A 30 -6.389 2.038 15.048 1.00 0.00 C ATOM 429 SD MET A 30 -7.424 2.599 16.414 1.00 0.00 S ATOM 430 CE MET A 30 -8.303 1.091 16.814 1.00 0.00 C ATOM 0 H MET A 30 -8.177 0.715 11.756 1.00 0.00 H new ATOM 0 HA MET A 30 -6.358 2.779 12.330 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.156 2.061 13.842 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.424 0.478 14.012 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.733 1.241 15.398 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.749 2.858 14.721 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.863 1.231 17.739 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.992 0.846 16.006 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.590 0.277 16.942 1.00 0.00 H new ATOM 440 N GLY A 31 -5.111 -0.263 12.298 1.00 0.00 N ATOM 441 CA GLY A 31 -3.862 -1.001 12.305 1.00 0.00 C ATOM 442 C GLY A 31 -3.065 -0.803 11.031 1.00 0.00 C ATOM 443 O GLY A 31 -1.880 -0.470 11.077 1.00 0.00 O ATOM 0 H GLY A 31 -5.938 -0.822 12.087 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.262 -0.685 13.158 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.071 -2.062 12.438 1.00 0.00 H new ATOM 447 N LEU A 32 -3.714 -1.009 9.890 1.00 0.00 N ATOM 448 CA LEU A 32 -3.057 -0.853 8.597 1.00 0.00 C ATOM 449 C LEU A 32 -2.322 0.482 8.518 1.00 0.00 C ATOM 450 O LEU A 32 -1.266 0.582 7.895 1.00 0.00 O ATOM 451 CB LEU A 32 -4.083 -0.951 7.467 1.00 0.00 C ATOM 452 CG LEU A 32 -4.547 -2.362 7.102 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.877 -2.313 6.368 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.495 -3.067 6.257 1.00 0.00 C ATOM 0 H LEU A 32 -4.695 -1.284 9.834 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.328 -1.656 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.958 -0.363 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.658 -0.488 6.576 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.684 -2.929 8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.191 -3.326 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.628 -1.848 7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.767 -1.730 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.842 -4.070 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.326 -2.502 5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.563 -3.135 6.818 1.00 0.00 H new ATOM 466 N GLU A 33 -2.888 1.502 9.154 1.00 0.00 N ATOM 467 CA GLU A 33 -2.285 2.830 9.156 1.00 0.00 C ATOM 468 C GLU A 33 -1.092 2.884 10.106 1.00 0.00 C ATOM 469 O GLU A 33 -0.141 3.634 9.885 1.00 0.00 O ATOM 470 CB GLU A 33 -3.319 3.883 9.559 1.00 0.00 C ATOM 471 CG GLU A 33 -4.457 4.031 8.563 1.00 0.00 C ATOM 472 CD GLU A 33 -5.599 4.870 9.102 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.489 6.113 9.071 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.604 4.282 9.555 1.00 0.00 O ATOM 0 H GLU A 33 -3.763 1.435 9.674 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.934 3.043 8.146 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.732 3.621 10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.820 4.845 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.077 4.486 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.832 3.043 8.296 1.00 0.00 H new ATOM 481 N LYS A 34 -1.149 2.083 11.164 1.00 0.00 N ATOM 482 CA LYS A 34 -0.074 2.037 12.149 1.00 0.00 C ATOM 483 C LYS A 34 1.132 1.280 11.602 1.00 0.00 C ATOM 484 O LYS A 34 2.276 1.598 11.928 1.00 0.00 O ATOM 485 CB LYS A 34 -0.564 1.375 13.438 1.00 0.00 C ATOM 486 CG LYS A 34 0.141 1.879 14.686 1.00 0.00 C ATOM 487 CD LYS A 34 -0.346 3.263 15.081 1.00 0.00 C ATOM 488 CE LYS A 34 0.549 3.888 16.140 1.00 0.00 C ATOM 489 NZ LYS A 34 1.693 4.625 15.535 1.00 0.00 N ATOM 0 H LYS A 34 -1.929 1.456 11.362 1.00 0.00 H new ATOM 0 HA LYS A 34 0.230 3.061 12.367 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.635 1.548 13.541 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.421 0.297 13.360 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.031 1.184 15.508 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.217 1.907 14.511 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.373 3.905 14.201 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.366 3.197 15.459 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.038 4.570 16.755 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.928 3.109 16.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.139 5.227 16.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.391 3.945 15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.349 5.219 14.753 1.00 0.00 H new ATOM 503 N ARG A 35 0.869 0.279 10.769 1.00 0.00 N ATOM 504 CA ARG A 35 1.933 -0.523 10.178 1.00 0.00 C ATOM 505 C ARG A 35 2.527 0.176 8.959 1.00 0.00 C ATOM 506 O ARG A 35 3.744 0.197 8.774 1.00 0.00 O ATOM 507 CB ARG A 35 1.401 -1.901 9.780 1.00 0.00 C ATOM 508 CG ARG A 35 1.209 -2.843 10.957 1.00 0.00 C ATOM 509 CD ARG A 35 2.472 -2.951 11.797 1.00 0.00 C ATOM 510 NE ARG A 35 2.592 -4.257 12.439 1.00 0.00 N ATOM 511 CZ ARG A 35 3.734 -4.738 12.917 1.00 0.00 C ATOM 512 NH1 ARG A 35 4.848 -4.024 12.827 1.00 0.00 N ATOM 513 NH2 ARG A 35 3.764 -5.935 13.489 1.00 0.00 N ATOM 0 H ARG A 35 -0.072 0.004 10.488 1.00 0.00 H new ATOM 0 HA ARG A 35 2.718 -0.646 10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.448 -1.778 9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.091 -2.356 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.387 -2.488 11.578 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.928 -3.831 10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.343 -2.776 11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.468 -2.171 12.559 1.00 0.00 H new ATOM 0 HE ARG A 35 1.753 -4.831 12.525 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.829 -3.103 12.390 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.723 -4.396 13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.909 -6.487 13.562 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.642 -6.303 13.856 1.00 0.00 H new ATOM 527 N PHE A 36 1.660 0.748 8.130 1.00 0.00 N ATOM 528 CA PHE A 36 2.099 1.447 6.928 1.00 0.00 C ATOM 529 C PHE A 36 2.961 2.654 7.284 1.00 0.00 C ATOM 530 O PHE A 36 4.093 2.780 6.819 1.00 0.00 O ATOM 531 CB PHE A 36 0.890 1.895 6.103 1.00 0.00 C ATOM 532 CG PHE A 36 1.260 2.645 4.856 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.855 3.894 4.933 1.00 0.00 C ATOM 534 CD2 PHE A 36 1.014 2.101 3.605 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.196 4.587 3.787 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.353 2.789 2.455 1.00 0.00 C ATOM 537 CZ PHE A 36 1.946 4.033 2.546 1.00 0.00 C ATOM 0 H PHE A 36 0.649 0.741 8.269 1.00 0.00 H new ATOM 0 HA PHE A 36 2.699 0.757 6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.302 1.019 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.252 2.526 6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.055 4.331 5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.552 1.128 3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.657 5.561 3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.154 2.354 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.214 4.572 1.649 1.00 0.00 H new ATOM 547 N GLU A 37 2.415 3.539 8.113 1.00 0.00 N ATOM 548 CA GLU A 37 3.134 4.737 8.531 1.00 0.00 C ATOM 549 C GLU A 37 4.563 4.398 8.946 1.00 0.00 C ATOM 550 O GLU A 37 5.519 5.032 8.499 1.00 0.00 O ATOM 551 CB GLU A 37 2.403 5.419 9.689 1.00 0.00 C ATOM 552 CG GLU A 37 2.729 4.824 11.049 1.00 0.00 C ATOM 553 CD GLU A 37 2.011 5.531 12.182 1.00 0.00 C ATOM 554 OE1 GLU A 37 0.766 5.603 12.143 1.00 0.00 O ATOM 555 OE2 GLU A 37 2.697 6.012 13.109 1.00 0.00 O ATOM 0 H GLU A 37 1.479 3.449 8.508 1.00 0.00 H new ATOM 0 HA GLU A 37 3.173 5.420 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.658 6.479 9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.328 5.351 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.457 3.768 11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.805 4.877 11.216 1.00 0.00 H new ATOM 562 N LYS A 38 4.700 3.393 9.804 1.00 0.00 N ATOM 563 CA LYS A 38 6.010 2.967 10.280 1.00 0.00 C ATOM 564 C LYS A 38 6.799 2.285 9.167 1.00 0.00 C ATOM 565 O LYS A 38 7.864 2.756 8.771 1.00 0.00 O ATOM 566 CB LYS A 38 5.859 2.015 11.469 1.00 0.00 C ATOM 567 CG LYS A 38 5.319 2.686 12.720 1.00 0.00 C ATOM 568 CD LYS A 38 5.730 1.936 13.976 1.00 0.00 C ATOM 569 CE LYS A 38 5.405 2.731 15.232 1.00 0.00 C ATOM 570 NZ LYS A 38 6.512 3.654 15.605 1.00 0.00 N ATOM 0 H LYS A 38 3.919 2.858 10.184 1.00 0.00 H new ATOM 0 HA LYS A 38 6.558 3.854 10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.193 1.199 11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.829 1.572 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.685 3.711 12.771 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.232 2.738 12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.218 0.974 14.010 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.799 1.727 13.943 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.492 3.305 15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.211 2.045 16.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.252 4.178 16.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.377 3.105 15.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.681 4.325 14.829 1.00 0.00 H new ATOM 584 N GLN A 39 6.267 1.175 8.665 1.00 0.00 N ATOM 585 CA GLN A 39 6.921 0.429 7.597 1.00 0.00 C ATOM 586 C GLN A 39 6.292 0.750 6.245 1.00 0.00 C ATOM 587 O GLN A 39 5.295 0.145 5.852 1.00 0.00 O ATOM 588 CB GLN A 39 6.835 -1.074 7.868 1.00 0.00 C ATOM 589 CG GLN A 39 7.829 -1.895 7.062 1.00 0.00 C ATOM 590 CD GLN A 39 8.204 -3.194 7.747 1.00 0.00 C ATOM 591 OE1 GLN A 39 7.579 -3.594 8.729 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.229 -3.862 7.230 1.00 0.00 N ATOM 0 H GLN A 39 5.385 0.773 8.981 1.00 0.00 H new ATOM 0 HA GLN A 39 7.969 0.727 7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.004 -1.254 8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.825 -1.418 7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.403 -2.115 6.083 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.730 -1.305 6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.719 -3.493 6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.526 -4.744 7.648 1.00 0.00 H new ATOM 601 N LYS A 40 6.882 1.708 5.536 1.00 0.00 N ATOM 602 CA LYS A 40 6.381 2.110 4.227 1.00 0.00 C ATOM 603 C LYS A 40 6.035 0.891 3.379 1.00 0.00 C ATOM 604 O LYS A 40 5.136 0.942 2.539 1.00 0.00 O ATOM 605 CB LYS A 40 7.419 2.970 3.504 1.00 0.00 C ATOM 606 CG LYS A 40 7.622 4.337 4.134 1.00 0.00 C ATOM 607 CD LYS A 40 6.559 5.323 3.681 1.00 0.00 C ATOM 608 CE LYS A 40 6.328 6.411 4.719 1.00 0.00 C ATOM 609 NZ LYS A 40 5.646 5.883 5.933 1.00 0.00 N ATOM 0 H LYS A 40 7.708 2.220 5.847 1.00 0.00 H new ATOM 0 HA LYS A 40 5.474 2.695 4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.372 2.440 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.112 3.100 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.596 4.246 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.609 4.717 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.861 5.777 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.625 4.793 3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.284 6.852 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.726 7.208 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.016 6.613 6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.088 5.043 5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.358 5.624 6.646 1.00 0.00 H new ATOM 623 N TYR A 41 6.752 -0.204 3.605 1.00 0.00 N ATOM 624 CA TYR A 41 6.521 -1.436 2.860 1.00 0.00 C ATOM 625 C TYR A 41 6.849 -2.658 3.713 1.00 0.00 C ATOM 626 O TYR A 41 8.006 -2.891 4.066 1.00 0.00 O ATOM 627 CB TYR A 41 7.363 -1.451 1.583 1.00 0.00 C ATOM 628 CG TYR A 41 7.467 -0.100 0.911 1.00 0.00 C ATOM 629 CD1 TYR A 41 8.349 0.865 1.380 1.00 0.00 C ATOM 630 CD2 TYR A 41 6.683 0.209 -0.194 1.00 0.00 C ATOM 631 CE1 TYR A 41 8.447 2.100 0.769 1.00 0.00 C ATOM 632 CE2 TYR A 41 6.775 1.442 -0.812 1.00 0.00 C ATOM 633 CZ TYR A 41 7.658 2.384 -0.326 1.00 0.00 C ATOM 634 OH TYR A 41 7.753 3.613 -0.938 1.00 0.00 O ATOM 0 H TYR A 41 7.498 -0.264 4.298 1.00 0.00 H new ATOM 0 HA TYR A 41 5.465 -1.475 2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.365 -1.806 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.931 -2.164 0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.969 0.646 2.237 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.990 -0.526 -0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.138 2.839 1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.159 1.667 -1.670 1.00 0.00 H new ATOM 0 HH TYR A 41 7.131 3.651 -1.694 1.00 0.00 H new ATOM 644 N LEU A 42 5.823 -3.435 4.041 1.00 0.00 N ATOM 645 CA LEU A 42 6.000 -4.635 4.852 1.00 0.00 C ATOM 646 C LEU A 42 6.655 -5.749 4.041 1.00 0.00 C ATOM 647 O LEU A 42 6.131 -6.170 3.010 1.00 0.00 O ATOM 648 CB LEU A 42 4.652 -5.110 5.396 1.00 0.00 C ATOM 649 CG LEU A 42 3.912 -4.128 6.306 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.417 -4.406 6.286 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.452 -4.206 7.726 1.00 0.00 C ATOM 0 H LEU A 42 4.860 -3.256 3.758 1.00 0.00 H new ATOM 0 HA LEU A 42 6.655 -4.386 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.006 -5.349 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.811 -6.036 5.948 1.00 0.00 H new ATOM 0 HG LEU A 42 4.078 -3.118 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.907 -3.698 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.040 -4.298 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.231 -5.421 6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.914 -3.501 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.317 -5.216 8.112 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.513 -3.957 7.726 1.00 0.00 H new ATOM 663 N SER A 43 7.803 -6.223 4.516 1.00 0.00 N ATOM 664 CA SER A 43 8.530 -7.287 3.834 1.00 0.00 C ATOM 665 C SER A 43 7.601 -8.449 3.495 1.00 0.00 C ATOM 666 O SER A 43 6.438 -8.469 3.899 1.00 0.00 O ATOM 667 CB SER A 43 9.687 -7.782 4.705 1.00 0.00 C ATOM 668 OG SER A 43 10.526 -6.709 5.095 1.00 0.00 O ATOM 0 H SER A 43 8.249 -5.887 5.370 1.00 0.00 H new ATOM 0 HA SER A 43 8.931 -6.882 2.905 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.293 -8.280 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.269 -8.522 4.156 1.00 0.00 H new ATOM 0 HG SER A 43 11.256 -7.051 5.652 1.00 0.00 H new ATOM 674 N THR A 44 8.124 -9.417 2.748 1.00 0.00 N ATOM 675 CA THR A 44 7.343 -10.583 2.352 1.00 0.00 C ATOM 676 C THR A 44 6.647 -11.212 3.554 1.00 0.00 C ATOM 677 O THR A 44 5.422 -11.328 3.602 1.00 0.00 O ATOM 678 CB THR A 44 8.225 -11.645 1.670 1.00 0.00 C ATOM 679 OG1 THR A 44 8.239 -11.434 0.253 1.00 0.00 O ATOM 680 CG2 THR A 44 7.719 -13.046 1.974 1.00 0.00 C ATOM 0 H THR A 44 9.085 -9.416 2.405 1.00 0.00 H new ATOM 0 HA THR A 44 6.593 -10.235 1.642 1.00 0.00 H new ATOM 0 HB THR A 44 9.238 -11.549 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.803 -12.112 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.358 -13.779 1.481 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.738 -13.214 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.698 -13.151 1.608 1.00 0.00 H new ATOM 688 N PRO A 45 7.444 -11.630 4.548 1.00 0.00 N ATOM 689 CA PRO A 45 6.926 -12.254 5.769 1.00 0.00 C ATOM 690 C PRO A 45 6.177 -11.263 6.654 1.00 0.00 C ATOM 691 O PRO A 45 5.161 -11.603 7.261 1.00 0.00 O ATOM 692 CB PRO A 45 8.189 -12.753 6.476 1.00 0.00 C ATOM 693 CG PRO A 45 9.278 -11.869 5.975 1.00 0.00 C ATOM 694 CD PRO A 45 8.913 -11.524 4.558 1.00 0.00 C ATOM 0 HA PRO A 45 6.204 -13.041 5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.090 -12.684 7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.388 -13.798 6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.363 -10.970 6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.242 -12.376 6.017 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.245 -10.521 4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.370 -12.212 3.847 1.00 0.00 H new ATOM 702 N ASP A 46 6.684 -10.038 6.722 1.00 0.00 N ATOM 703 CA ASP A 46 6.062 -8.997 7.532 1.00 0.00 C ATOM 704 C ASP A 46 4.603 -8.797 7.133 1.00 0.00 C ATOM 705 O ASP A 46 3.716 -8.761 7.986 1.00 0.00 O ATOM 706 CB ASP A 46 6.828 -7.681 7.386 1.00 0.00 C ATOM 707 CG ASP A 46 7.947 -7.547 8.400 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.652 -7.550 9.613 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.118 -7.437 7.980 1.00 0.00 O ATOM 0 H ASP A 46 7.524 -9.741 6.226 1.00 0.00 H new ATOM 0 HA ASP A 46 6.095 -9.314 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.243 -7.615 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.136 -6.847 7.500 1.00 0.00 H new ATOM 714 N ARG A 47 4.363 -8.668 5.832 1.00 0.00 N ATOM 715 CA ARG A 47 3.012 -8.470 5.321 1.00 0.00 C ATOM 716 C ARG A 47 2.084 -9.585 5.792 1.00 0.00 C ATOM 717 O ARG A 47 0.943 -9.333 6.182 1.00 0.00 O ATOM 718 CB ARG A 47 3.026 -8.415 3.792 1.00 0.00 C ATOM 719 CG ARG A 47 1.655 -8.180 3.179 1.00 0.00 C ATOM 720 CD ARG A 47 1.755 -7.870 1.694 1.00 0.00 C ATOM 721 NE ARG A 47 2.154 -9.039 0.915 1.00 0.00 N ATOM 722 CZ ARG A 47 2.461 -8.993 -0.376 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.416 -7.841 -1.031 1.00 0.00 N ATOM 724 NH2 ARG A 47 2.814 -10.101 -1.015 1.00 0.00 N ATOM 0 H ARG A 47 5.086 -8.697 5.113 1.00 0.00 H new ATOM 0 HA ARG A 47 2.639 -7.522 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.699 -7.620 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.432 -9.351 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.033 -9.063 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.163 -7.354 3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.792 -7.506 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.477 -7.068 1.539 1.00 0.00 H new ATOM 0 HE ARG A 47 2.199 -9.941 1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.145 -6.987 -0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.652 -7.809 -2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.850 -10.989 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.050 -10.065 -2.007 1.00 0.00 H new ATOM 738 N ILE A 48 2.580 -10.817 5.753 1.00 0.00 N ATOM 739 CA ILE A 48 1.795 -11.970 6.176 1.00 0.00 C ATOM 740 C ILE A 48 1.489 -11.909 7.669 1.00 0.00 C ATOM 741 O ILE A 48 0.328 -11.834 8.073 1.00 0.00 O ATOM 742 CB ILE A 48 2.523 -13.291 5.867 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.821 -13.396 4.370 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.690 -14.477 6.331 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.716 -14.562 4.012 1.00 0.00 C ATOM 0 H ILE A 48 3.522 -11.042 5.433 1.00 0.00 H new ATOM 0 HA ILE A 48 0.861 -11.939 5.614 1.00 0.00 H new ATOM 0 HB ILE A 48 3.469 -13.302 6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.881 -13.490 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.292 -12.471 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.218 -15.403 6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.524 -14.407 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.730 -14.472 5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.885 -14.574 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.671 -14.459 4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.238 -15.494 4.315 1.00 0.00 H new ATOM 757 N ASP A 49 2.538 -11.939 8.484 1.00 0.00 N ATOM 758 CA ASP A 49 2.382 -11.884 9.933 1.00 0.00 C ATOM 759 C ASP A 49 1.284 -10.900 10.324 1.00 0.00 C ATOM 760 O ASP A 49 0.462 -11.186 11.196 1.00 0.00 O ATOM 761 CB ASP A 49 3.702 -11.484 10.594 1.00 0.00 C ATOM 762 CG ASP A 49 3.857 -12.075 11.981 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.594 -13.285 12.143 1.00 0.00 O ATOM 764 OD2 ASP A 49 4.240 -11.327 12.906 1.00 0.00 O ATOM 0 H ASP A 49 3.505 -12.001 8.166 1.00 0.00 H new ATOM 0 HA ASP A 49 2.096 -12.876 10.281 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.532 -11.811 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.759 -10.397 10.657 1.00 0.00 H new ATOM 769 N LEU A 50 1.276 -9.741 9.675 1.00 0.00 N ATOM 770 CA LEU A 50 0.279 -8.714 9.956 1.00 0.00 C ATOM 771 C LEU A 50 -1.109 -9.168 9.516 1.00 0.00 C ATOM 772 O LEU A 50 -2.048 -9.185 10.311 1.00 0.00 O ATOM 773 CB LEU A 50 0.649 -7.409 9.249 1.00 0.00 C ATOM 774 CG LEU A 50 -0.453 -6.353 9.168 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.656 -5.688 10.520 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.121 -5.315 8.105 1.00 0.00 C ATOM 0 H LEU A 50 1.949 -9.489 8.951 1.00 0.00 H new ATOM 0 HA LEU A 50 0.261 -8.544 11.033 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.506 -6.972 9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.971 -7.647 8.235 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.383 -6.847 8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.444 -4.939 10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.941 -6.440 11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.271 -5.208 10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.917 -4.571 8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.820 -4.825 8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.028 -5.804 7.135 1.00 0.00 H new ATOM 788 N ALA A 51 -1.231 -9.537 8.245 1.00 0.00 N ATOM 789 CA ALA A 51 -2.503 -9.995 7.701 1.00 0.00 C ATOM 790 C ALA A 51 -3.123 -11.071 8.585 1.00 0.00 C ATOM 791 O ALA A 51 -4.321 -11.339 8.505 1.00 0.00 O ATOM 792 CB ALA A 51 -2.313 -10.517 6.284 1.00 0.00 C ATOM 0 H ALA A 51 -0.464 -9.528 7.573 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.186 -9.146 7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.271 -10.856 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.922 -9.720 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.610 -11.350 6.294 1.00 0.00 H new ATOM 798 N GLU A 52 -2.298 -11.686 9.428 1.00 0.00 N ATOM 799 CA GLU A 52 -2.767 -12.734 10.326 1.00 0.00 C ATOM 800 C GLU A 52 -3.232 -12.145 11.654 1.00 0.00 C ATOM 801 O GLU A 52 -4.150 -12.665 12.289 1.00 0.00 O ATOM 802 CB GLU A 52 -1.658 -13.760 10.571 1.00 0.00 C ATOM 803 CG GLU A 52 -1.600 -14.856 9.520 1.00 0.00 C ATOM 804 CD GLU A 52 -0.970 -16.132 10.043 1.00 0.00 C ATOM 805 OE1 GLU A 52 -1.651 -16.872 10.783 1.00 0.00 O ATOM 806 OE2 GLU A 52 0.206 -16.392 9.710 1.00 0.00 O ATOM 0 H GLU A 52 -1.303 -11.476 9.507 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.614 -13.231 9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.698 -13.245 10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.805 -14.215 11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.609 -15.071 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.032 -14.500 8.660 1.00 0.00 H new ATOM 813 N SER A 53 -2.591 -11.057 12.069 1.00 0.00 N ATOM 814 CA SER A 53 -2.935 -10.399 13.324 1.00 0.00 C ATOM 815 C SER A 53 -4.216 -9.583 13.176 1.00 0.00 C ATOM 816 O SER A 53 -5.091 -9.617 14.042 1.00 0.00 O ATOM 817 CB SER A 53 -1.790 -9.494 13.781 1.00 0.00 C ATOM 818 OG SER A 53 -0.655 -10.256 14.154 1.00 0.00 O ATOM 0 H SER A 53 -1.831 -10.613 11.554 1.00 0.00 H new ATOM 0 HA SER A 53 -3.101 -11.170 14.076 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.523 -8.807 12.978 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.117 -8.886 14.625 1.00 0.00 H new ATOM 0 HG SER A 53 -0.207 -10.591 13.349 1.00 0.00 H new ATOM 824 N LEU A 54 -4.318 -8.850 12.073 1.00 0.00 N ATOM 825 CA LEU A 54 -5.491 -8.024 11.810 1.00 0.00 C ATOM 826 C LEU A 54 -6.607 -8.849 11.177 1.00 0.00 C ATOM 827 O LEU A 54 -7.784 -8.511 11.291 1.00 0.00 O ATOM 828 CB LEU A 54 -5.122 -6.856 10.892 1.00 0.00 C ATOM 829 CG LEU A 54 -4.283 -5.745 11.525 1.00 0.00 C ATOM 830 CD1 LEU A 54 -3.781 -4.783 10.460 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.090 -5.003 12.580 1.00 0.00 C ATOM 0 H LEU A 54 -3.603 -8.811 11.347 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.849 -7.631 12.762 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.577 -7.252 10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.043 -6.416 10.509 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.419 -6.199 12.011 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.186 -3.999 10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.166 -5.325 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.631 -4.335 9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.477 -4.216 13.020 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.973 -4.560 12.118 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.399 -5.700 13.359 1.00 0.00 H new ATOM 843 N GLY A 55 -6.228 -9.935 10.510 1.00 0.00 N ATOM 844 CA GLY A 55 -7.209 -10.793 9.871 1.00 0.00 C ATOM 845 C GLY A 55 -7.360 -10.499 8.392 1.00 0.00 C ATOM 846 O GLY A 55 -8.292 -10.981 7.747 1.00 0.00 O ATOM 0 H GLY A 55 -5.260 -10.236 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.917 -11.835 10.003 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.173 -10.667 10.364 1.00 0.00 H new ATOM 850 N LEU A 56 -6.443 -9.704 7.852 1.00 0.00 N ATOM 851 CA LEU A 56 -6.478 -9.345 6.438 1.00 0.00 C ATOM 852 C LEU A 56 -5.603 -10.284 5.615 1.00 0.00 C ATOM 853 O LEU A 56 -4.934 -11.162 6.159 1.00 0.00 O ATOM 854 CB LEU A 56 -6.016 -7.899 6.248 1.00 0.00 C ATOM 855 CG LEU A 56 -6.826 -6.832 6.986 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.113 -5.490 6.933 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.223 -6.720 6.394 1.00 0.00 C ATOM 0 H LEU A 56 -5.666 -9.296 8.372 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.506 -9.440 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.977 -7.825 6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.036 -7.669 5.183 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.918 -7.130 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.704 -4.743 7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.134 -5.579 7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.989 -5.184 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.786 -5.956 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.151 -6.445 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.734 -7.678 6.485 1.00 0.00 H new ATOM 869 N SER A 57 -5.610 -10.091 4.300 1.00 0.00 N ATOM 870 CA SER A 57 -4.818 -10.921 3.401 1.00 0.00 C ATOM 871 C SER A 57 -3.605 -10.156 2.882 1.00 0.00 C ATOM 872 O SER A 57 -3.467 -8.956 3.120 1.00 0.00 O ATOM 873 CB SER A 57 -5.674 -11.399 2.226 1.00 0.00 C ATOM 874 OG SER A 57 -6.711 -12.258 2.667 1.00 0.00 O ATOM 0 H SER A 57 -6.156 -9.367 3.834 1.00 0.00 H new ATOM 0 HA SER A 57 -4.467 -11.787 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.104 -10.539 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.047 -11.922 1.504 1.00 0.00 H new ATOM 0 HG SER A 57 -7.245 -12.548 1.898 1.00 0.00 H new ATOM 880 N GLN A 58 -2.728 -10.859 2.172 1.00 0.00 N ATOM 881 CA GLN A 58 -1.526 -10.246 1.620 1.00 0.00 C ATOM 882 C GLN A 58 -1.881 -9.201 0.568 1.00 0.00 C ATOM 883 O GLN A 58 -1.068 -8.337 0.236 1.00 0.00 O ATOM 884 CB GLN A 58 -0.618 -11.315 1.009 1.00 0.00 C ATOM 885 CG GLN A 58 -0.355 -12.492 1.934 1.00 0.00 C ATOM 886 CD GLN A 58 0.563 -13.527 1.314 1.00 0.00 C ATOM 887 OE1 GLN A 58 1.025 -13.367 0.184 1.00 0.00 O ATOM 888 NE2 GLN A 58 0.832 -14.598 2.053 1.00 0.00 N ATOM 0 H GLN A 58 -2.828 -11.853 1.966 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.996 -9.750 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.072 -11.682 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.333 -10.859 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.087 -12.129 2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.303 -12.963 2.196 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.427 -14.689 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.443 -15.329 1.689 1.00 0.00 H new ATOM 897 N LEU A 59 -3.100 -9.285 0.046 1.00 0.00 N ATOM 898 CA LEU A 59 -3.564 -8.347 -0.970 1.00 0.00 C ATOM 899 C LEU A 59 -3.905 -6.996 -0.348 1.00 0.00 C ATOM 900 O LEU A 59 -3.375 -5.963 -0.757 1.00 0.00 O ATOM 901 CB LEU A 59 -4.788 -8.911 -1.693 1.00 0.00 C ATOM 902 CG LEU A 59 -5.397 -8.021 -2.777 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.467 -7.927 -3.976 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.761 -8.549 -3.197 1.00 0.00 C ATOM 0 H LEU A 59 -3.785 -9.993 0.310 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.759 -8.203 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.511 -9.863 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.558 -9.123 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.528 -7.020 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.918 -7.290 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.513 -7.501 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.303 -8.923 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.179 -7.903 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.655 -9.561 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.427 -8.562 -2.335 1.00 0.00 H new ATOM 916 N GLN A 60 -4.790 -7.013 0.643 1.00 0.00 N ATOM 917 CA GLN A 60 -5.200 -5.789 1.321 1.00 0.00 C ATOM 918 C GLN A 60 -4.007 -4.865 1.544 1.00 0.00 C ATOM 919 O GLN A 60 -3.969 -3.749 1.027 1.00 0.00 O ATOM 920 CB GLN A 60 -5.860 -6.121 2.661 1.00 0.00 C ATOM 921 CG GLN A 60 -7.294 -6.609 2.528 1.00 0.00 C ATOM 922 CD GLN A 60 -7.382 -8.108 2.319 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.072 -8.616 1.241 1.00 0.00 O ATOM 924 NE2 GLN A 60 -7.807 -8.826 3.353 1.00 0.00 N ATOM 0 H GLN A 60 -5.237 -7.860 0.994 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.921 -5.275 0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.270 -6.885 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.844 -5.234 3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.851 -6.337 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.771 -6.100 1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.053 -8.364 4.228 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.887 -9.840 3.272 1.00 0.00 H new ATOM 933 N VAL A 61 -3.035 -5.337 2.318 1.00 0.00 N ATOM 934 CA VAL A 61 -1.840 -4.554 2.608 1.00 0.00 C ATOM 935 C VAL A 61 -1.152 -4.104 1.324 1.00 0.00 C ATOM 936 O VAL A 61 -0.871 -2.920 1.139 1.00 0.00 O ATOM 937 CB VAL A 61 -0.838 -5.353 3.462 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.325 -4.470 3.888 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.533 -5.955 4.674 1.00 0.00 C ATOM 0 H VAL A 61 -3.052 -6.258 2.756 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.165 -3.678 3.169 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.441 -6.168 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.022 -5.052 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.838 -4.092 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.050 -3.632 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.810 -6.516 5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.960 -5.157 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.328 -6.623 4.343 1.00 0.00 H new ATOM 949 N LYS A 62 -0.883 -5.057 0.439 1.00 0.00 N ATOM 950 CA LYS A 62 -0.229 -4.761 -0.830 1.00 0.00 C ATOM 951 C LYS A 62 -0.925 -3.607 -1.544 1.00 0.00 C ATOM 952 O LYS A 62 -0.347 -2.534 -1.723 1.00 0.00 O ATOM 953 CB LYS A 62 -0.224 -6.001 -1.727 1.00 0.00 C ATOM 954 CG LYS A 62 0.704 -5.884 -2.923 1.00 0.00 C ATOM 955 CD LYS A 62 0.500 -7.028 -3.902 1.00 0.00 C ATOM 956 CE LYS A 62 0.863 -6.618 -5.321 1.00 0.00 C ATOM 957 NZ LYS A 62 1.211 -7.794 -6.166 1.00 0.00 N ATOM 0 H LYS A 62 -1.108 -6.042 0.577 1.00 0.00 H new ATOM 0 HA LYS A 62 0.800 -4.468 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.070 -6.867 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.238 -6.186 -2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.528 -4.935 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.739 -5.876 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.110 -7.879 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.540 -7.354 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.026 -6.083 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.706 -5.927 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.452 -7.473 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.026 -8.290 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.398 -8.441 -6.212 1.00 0.00 H new ATOM 971 N THR A 63 -2.170 -3.833 -1.951 1.00 0.00 N ATOM 972 CA THR A 63 -2.945 -2.812 -2.645 1.00 0.00 C ATOM 973 C THR A 63 -3.101 -1.562 -1.787 1.00 0.00 C ATOM 974 O THR A 63 -2.636 -0.483 -2.155 1.00 0.00 O ATOM 975 CB THR A 63 -4.342 -3.333 -3.032 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.220 -4.521 -3.822 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.117 -2.279 -3.808 1.00 0.00 C ATOM 0 H THR A 63 -2.664 -4.715 -1.812 1.00 0.00 H new ATOM 0 HA THR A 63 -2.395 -2.560 -3.552 1.00 0.00 H new ATOM 0 HB THR A 63 -4.887 -3.561 -2.116 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.112 -4.847 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.100 -2.670 -4.070 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.234 -1.387 -3.193 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.573 -2.024 -4.718 1.00 0.00 H new ATOM 985 N TRP A 64 -3.756 -1.714 -0.642 1.00 0.00 N ATOM 986 CA TRP A 64 -3.973 -0.596 0.269 1.00 0.00 C ATOM 987 C TRP A 64 -2.737 0.294 0.342 1.00 0.00 C ATOM 988 O TRP A 64 -2.830 1.514 0.204 1.00 0.00 O ATOM 989 CB TRP A 64 -4.328 -1.110 1.665 1.00 0.00 C ATOM 990 CG TRP A 64 -4.899 -0.052 2.561 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.145 0.500 2.485 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.243 0.581 3.665 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.304 1.439 3.476 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.151 1.507 4.213 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.977 0.454 4.244 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.832 2.301 5.312 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.662 1.243 5.334 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.586 2.157 5.859 1.00 0.00 C ATOM 0 H TRP A 64 -4.146 -2.600 -0.322 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.803 -0.003 -0.115 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.047 -1.924 1.573 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.434 -1.525 2.130 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.895 0.238 1.754 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.144 1.995 3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.258 -0.248 3.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.543 3.005 5.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.687 1.154 5.789 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.309 2.759 6.712 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.581 -0.323 0.559 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.327 0.415 0.652 1.00 0.00 C ATOM 1011 C TYR A 65 -0.099 1.262 -0.596 1.00 0.00 C ATOM 1012 O TYR A 65 0.043 2.481 -0.514 1.00 0.00 O ATOM 1013 CB TYR A 65 0.844 -0.551 0.847 1.00 0.00 C ATOM 1014 CG TYR A 65 1.152 -0.843 2.298 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.145 -1.205 3.184 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.451 -0.757 2.784 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.422 -1.472 4.511 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.738 -1.024 4.109 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.720 -1.380 4.968 1.00 0.00 C ATOM 1020 OH TYR A 65 2.000 -1.647 6.289 1.00 0.00 O ATOM 0 H TYR A 65 -1.486 -1.332 0.674 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.389 1.080 1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.621 -1.488 0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.732 -0.133 0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.872 -1.279 2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.250 -0.476 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.373 -1.751 5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.754 -0.954 4.470 1.00 0.00 H new ATOM 0 HH TYR A 65 1.162 -1.742 6.788 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.066 0.605 -1.751 1.00 0.00 N ATOM 1031 CA GLN A 66 0.145 1.297 -3.017 1.00 0.00 C ATOM 1032 C GLN A 66 -0.646 2.600 -3.064 1.00 0.00 C ATOM 1033 O GLN A 66 -0.109 3.651 -3.408 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.261 0.398 -4.187 1.00 0.00 C ATOM 1035 CG GLN A 66 0.624 -0.828 -4.348 1.00 0.00 C ATOM 1036 CD GLN A 66 0.479 -1.477 -5.710 1.00 0.00 C ATOM 1037 OE1 GLN A 66 0.341 -0.793 -6.725 1.00 0.00 O ATOM 1038 NE2 GLN A 66 0.511 -2.804 -5.740 1.00 0.00 N ATOM 0 H GLN A 66 -0.183 -0.405 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 66 1.206 1.534 -3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.292 0.075 -4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.233 0.980 -5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.665 -0.543 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.375 -1.555 -3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.627 -3.331 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.419 -3.296 -6.629 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.926 2.522 -2.715 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.792 3.696 -2.718 1.00 0.00 C ATOM 1049 C ASN A 67 -2.367 4.688 -1.639 1.00 0.00 C ATOM 1050 O ASN A 67 -2.243 5.885 -1.897 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.249 3.281 -2.500 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.965 2.980 -3.802 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.334 3.890 -4.545 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.166 1.698 -4.084 1.00 0.00 N ATOM 0 H ASN A 67 -2.387 1.659 -2.427 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.701 4.182 -3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.281 2.400 -1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.776 4.077 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.643 1.434 -4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.843 0.977 -3.439 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.144 4.180 -0.431 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.733 5.022 0.686 1.00 0.00 C ATOM 1063 C ARG A 68 -0.565 5.920 0.290 1.00 0.00 C ATOM 1064 O ARG A 68 -0.428 7.035 0.794 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.341 4.157 1.886 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.529 3.670 2.700 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.009 4.733 3.675 1.00 0.00 C ATOM 1068 NE ARG A 68 -4.019 5.605 3.081 1.00 0.00 N ATOM 1069 CZ ARG A 68 -4.695 6.521 3.766 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -4.469 6.683 5.062 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -5.598 7.276 3.154 1.00 0.00 N ATOM 0 H ARG A 68 -2.241 3.191 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.577 5.654 0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.776 3.295 1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.677 4.729 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.343 3.396 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.251 2.770 3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.422 4.252 4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.160 5.333 4.004 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.216 5.505 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.775 6.104 5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.989 7.387 5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.774 7.154 2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.116 7.979 3.681 1.00 0.00 H new