USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=14 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 Single : A 25 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 28 GLN : amide:sc= -2.46! C(o=-2.5!,f=-4.8!) USER MOD Single : A 30 MET CE :methyl 170:sc=-0.00319 (180deg=-0.174) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0517) USER MOD Single : A 38 LYS NZ :NH3+ 149:sc= -0.408 (180deg=-1.72!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.403 F(o=-4.7!,f=-0.4) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0581) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 99:sc= 0.173 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 67:sc= 0.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.375 X(o=-0.38,f=0) USER MOD Single : A 60 GLN : amide:sc= -4.95 K(o=-5,f=-9.6!) 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 180:sc= -0.961 USER MOD Single : A 66 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.26) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.463 F(o=-1.7,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.983 -1.669 4.911 1.00 0.00 N ATOM 320 CA PHE A 24 -12.161 -1.962 6.080 1.00 0.00 C ATOM 321 C PHE A 24 -12.833 -1.462 7.355 1.00 0.00 C ATOM 322 O PHE A 24 -13.434 -0.387 7.375 1.00 0.00 O ATOM 323 CB PHE A 24 -10.780 -1.321 5.932 1.00 0.00 C ATOM 324 CG PHE A 24 -9.983 -1.872 4.784 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.386 -3.119 4.872 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.832 -1.142 3.616 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.653 -3.627 3.817 1.00 0.00 C ATOM 328 CE2 PHE A 24 -9.100 -1.646 2.557 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.510 -2.890 2.658 1.00 0.00 C ATOM 0 HA PHE A 24 -12.046 -3.044 6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.900 -0.246 5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.220 -1.466 6.856 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.495 -3.701 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.291 -0.168 3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.192 -4.600 3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.990 -1.067 1.652 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.938 -3.286 1.832 1.00 0.00 H new ATOM 339 N THR A 25 -12.726 -2.250 8.421 1.00 0.00 N ATOM 340 CA THR A 25 -13.324 -1.890 9.701 1.00 0.00 C ATOM 341 C THR A 25 -12.393 -0.993 10.509 1.00 0.00 C ATOM 342 O THR A 25 -11.188 -0.952 10.262 1.00 0.00 O ATOM 343 CB THR A 25 -13.665 -3.140 10.533 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.469 -3.865 10.840 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.633 -4.042 9.783 1.00 0.00 C ATOM 0 H THR A 25 -12.231 -3.142 8.423 1.00 0.00 H new ATOM 0 HA THR A 25 -14.244 -1.349 9.480 1.00 0.00 H new ATOM 0 HB THR A 25 -14.140 -2.815 11.459 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.694 -4.658 11.371 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.859 -4.918 10.391 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.554 -3.496 9.577 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.181 -4.359 8.843 1.00 0.00 H new ATOM 353 N GLU A 26 -12.959 -0.278 11.475 1.00 0.00 N ATOM 354 CA GLU A 26 -12.178 0.619 12.320 1.00 0.00 C ATOM 355 C GLU A 26 -10.930 -0.083 12.849 1.00 0.00 C ATOM 356 O GLU A 26 -9.847 0.501 12.892 1.00 0.00 O ATOM 357 CB GLU A 26 -13.027 1.124 13.488 1.00 0.00 C ATOM 358 CG GLU A 26 -13.816 2.382 13.168 1.00 0.00 C ATOM 359 CD GLU A 26 -14.041 3.255 14.387 1.00 0.00 C ATOM 360 OE1 GLU A 26 -14.429 2.713 15.443 1.00 0.00 O ATOM 361 OE2 GLU A 26 -13.830 4.482 14.285 1.00 0.00 O ATOM 0 H GLU A 26 -13.955 -0.302 11.693 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.866 1.469 11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.719 0.338 13.789 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.377 1.320 14.341 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.286 2.956 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.780 2.103 12.742 1.00 0.00 H new ATOM 368 N LEU A 27 -11.091 -1.338 13.252 1.00 0.00 N ATOM 369 CA LEU A 27 -9.978 -2.121 13.780 1.00 0.00 C ATOM 370 C LEU A 27 -8.943 -2.396 12.694 1.00 0.00 C ATOM 371 O LEU A 27 -7.770 -2.056 12.842 1.00 0.00 O ATOM 372 CB LEU A 27 -10.488 -3.441 14.361 1.00 0.00 C ATOM 373 CG LEU A 27 -9.590 -4.106 15.405 1.00 0.00 C ATOM 374 CD1 LEU A 27 -9.844 -3.515 16.783 1.00 0.00 C ATOM 375 CD2 LEU A 27 -9.812 -5.611 15.418 1.00 0.00 C ATOM 0 H LEU A 27 -11.981 -1.836 13.224 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.502 -1.543 14.572 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.465 -3.264 14.811 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.638 -4.142 13.540 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.551 -3.915 15.137 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.196 -4.001 17.512 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.633 -2.446 16.765 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.886 -3.674 17.061 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.165 -6.068 16.167 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.853 -5.823 15.660 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.577 -6.022 14.436 1.00 0.00 H new ATOM 387 N GLN A 28 -9.387 -3.012 11.603 1.00 0.00 N ATOM 388 CA GLN A 28 -8.499 -3.332 10.492 1.00 0.00 C ATOM 389 C GLN A 28 -7.727 -2.097 10.039 1.00 0.00 C ATOM 390 O GLN A 28 -6.504 -2.135 9.893 1.00 0.00 O ATOM 391 CB GLN A 28 -9.298 -3.905 9.320 1.00 0.00 C ATOM 392 CG GLN A 28 -9.924 -5.259 9.615 1.00 0.00 C ATOM 393 CD GLN A 28 -10.800 -5.756 8.482 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.207 -4.986 7.612 1.00 0.00 O ATOM 395 NE2 GLN A 28 -11.095 -7.051 8.487 1.00 0.00 N ATOM 0 H GLN A 28 -10.356 -3.299 11.465 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.785 -4.080 10.836 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.085 -3.201 9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.642 -3.998 8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.135 -5.986 9.805 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.519 -5.189 10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.736 -7.653 9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.681 -7.444 7.750 1.00 0.00 H new ATOM 404 N LEU A 29 -8.447 -1.003 9.819 1.00 0.00 N ATOM 405 CA LEU A 29 -7.830 0.245 9.383 1.00 0.00 C ATOM 406 C LEU A 29 -6.770 0.705 10.378 1.00 0.00 C ATOM 407 O LEU A 29 -5.645 1.027 9.996 1.00 0.00 O ATOM 408 CB LEU A 29 -8.894 1.332 9.215 1.00 0.00 C ATOM 409 CG LEU A 29 -9.690 1.295 7.910 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.878 2.242 7.983 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.796 1.648 6.730 1.00 0.00 C ATOM 0 H LEU A 29 -9.459 -0.954 9.935 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.347 0.066 8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.595 1.259 10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.407 2.304 9.293 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.067 0.283 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.433 2.203 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.531 1.944 8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.523 3.259 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.379 1.617 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.390 2.650 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.978 0.930 6.666 1.00 0.00 H new ATOM 423 N MET A 30 -7.136 0.731 11.655 1.00 0.00 N ATOM 424 CA MET A 30 -6.214 1.148 12.706 1.00 0.00 C ATOM 425 C MET A 30 -4.884 0.411 12.586 1.00 0.00 C ATOM 426 O MET A 30 -3.817 1.019 12.665 1.00 0.00 O ATOM 427 CB MET A 30 -6.829 0.894 14.083 1.00 0.00 C ATOM 428 CG MET A 30 -5.865 1.135 15.233 1.00 0.00 C ATOM 429 SD MET A 30 -6.689 1.167 16.836 1.00 0.00 S ATOM 430 CE MET A 30 -7.293 -0.516 16.940 1.00 0.00 C ATOM 0 H MET A 30 -8.064 0.469 11.987 1.00 0.00 H new ATOM 0 HA MET A 30 -6.029 2.216 12.590 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.699 1.539 14.208 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.186 -0.135 14.128 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.105 0.353 15.235 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.348 2.082 15.076 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.669 -0.706 17.945 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.097 -0.659 16.219 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.481 -1.208 16.720 1.00 0.00 H new ATOM 440 N GLY A 31 -4.955 -0.903 12.396 1.00 0.00 N ATOM 441 CA GLY A 31 -3.750 -1.701 12.269 1.00 0.00 C ATOM 442 C GLY A 31 -2.974 -1.383 11.006 1.00 0.00 C ATOM 443 O GLY A 31 -1.760 -1.182 11.048 1.00 0.00 O ATOM 0 H GLY A 31 -5.826 -1.429 12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.112 -1.531 13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.016 -2.758 12.272 1.00 0.00 H new ATOM 447 N LEU A 32 -3.676 -1.338 9.879 1.00 0.00 N ATOM 448 CA LEU A 32 -3.045 -1.044 8.596 1.00 0.00 C ATOM 449 C LEU A 32 -2.338 0.307 8.635 1.00 0.00 C ATOM 450 O LEU A 32 -1.232 0.453 8.116 1.00 0.00 O ATOM 451 CB LEU A 32 -4.089 -1.055 7.478 1.00 0.00 C ATOM 452 CG LEU A 32 -4.559 -2.433 7.012 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.766 -2.304 6.096 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.430 -3.172 6.309 1.00 0.00 C ATOM 0 H LEU A 32 -4.682 -1.501 9.827 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.302 -1.817 8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.959 -0.491 7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.678 -0.524 6.619 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.854 -3.010 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.086 -3.295 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.580 -1.816 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.498 -1.708 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.783 -4.151 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.104 -2.598 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.594 -3.298 6.997 1.00 0.00 H new ATOM 466 N GLU A 33 -2.984 1.290 9.254 1.00 0.00 N ATOM 467 CA GLU A 33 -2.415 2.628 9.361 1.00 0.00 C ATOM 468 C GLU A 33 -1.199 2.631 10.283 1.00 0.00 C ATOM 469 O GLU A 33 -0.160 3.205 9.958 1.00 0.00 O ATOM 470 CB GLU A 33 -3.465 3.613 9.880 1.00 0.00 C ATOM 471 CG GLU A 33 -4.668 3.759 8.964 1.00 0.00 C ATOM 472 CD GLU A 33 -5.841 4.437 9.645 1.00 0.00 C ATOM 473 OE1 GLU A 33 -6.421 3.832 10.571 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.179 5.574 9.252 1.00 0.00 O ATOM 0 H GLU A 33 -3.901 1.185 9.689 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.095 2.939 8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.805 3.285 10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.000 4.590 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.382 4.334 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.976 2.773 8.615 1.00 0.00 H new ATOM 481 N LYS A 34 -1.338 1.985 11.436 1.00 0.00 N ATOM 482 CA LYS A 34 -0.252 1.911 12.407 1.00 0.00 C ATOM 483 C LYS A 34 0.996 1.297 11.782 1.00 0.00 C ATOM 484 O LYS A 34 2.109 1.781 11.990 1.00 0.00 O ATOM 485 CB LYS A 34 -0.684 1.089 13.623 1.00 0.00 C ATOM 486 CG LYS A 34 -0.008 1.514 14.916 1.00 0.00 C ATOM 487 CD LYS A 34 1.410 0.977 15.006 1.00 0.00 C ATOM 488 CE LYS A 34 2.078 1.382 16.312 1.00 0.00 C ATOM 489 NZ LYS A 34 2.345 2.846 16.367 1.00 0.00 N ATOM 0 H LYS A 34 -2.192 1.505 11.721 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.014 2.925 12.727 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.764 1.173 13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.465 0.038 13.437 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.009 2.602 14.978 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.588 1.156 15.766 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.394 -0.110 14.926 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.995 1.350 14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.441 1.097 17.149 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.015 0.837 16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.919 3.063 17.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.859 3.138 15.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.443 3.361 16.422 1.00 0.00 H new ATOM 503 N ARG A 35 0.804 0.229 11.014 1.00 0.00 N ATOM 504 CA ARG A 35 1.914 -0.451 10.359 1.00 0.00 C ATOM 505 C ARG A 35 2.440 0.373 9.187 1.00 0.00 C ATOM 506 O ARG A 35 3.648 0.559 9.038 1.00 0.00 O ATOM 507 CB ARG A 35 1.477 -1.833 9.869 1.00 0.00 C ATOM 508 CG ARG A 35 1.395 -2.873 10.974 1.00 0.00 C ATOM 509 CD ARG A 35 2.706 -2.981 11.736 1.00 0.00 C ATOM 510 NE ARG A 35 2.925 -4.325 12.262 1.00 0.00 N ATOM 511 CZ ARG A 35 2.432 -4.751 13.420 1.00 0.00 C ATOM 512 NH1 ARG A 35 1.696 -3.941 14.169 1.00 0.00 N ATOM 513 NH2 ARG A 35 2.674 -5.989 13.831 1.00 0.00 N ATOM 0 H ARG A 35 -0.111 -0.184 10.830 1.00 0.00 H new ATOM 0 HA ARG A 35 2.716 -0.569 11.088 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.502 -1.747 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.178 -2.178 9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.593 -2.610 11.664 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.142 -3.842 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.531 -2.711 11.077 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.707 -2.265 12.558 1.00 0.00 H new ATOM 0 HE ARG A 35 3.487 -4.973 11.710 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.507 -2.989 13.857 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.319 -4.270 15.058 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.239 -6.615 13.258 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.295 -6.314 14.720 1.00 0.00 H new ATOM 527 N PHE A 36 1.526 0.863 8.357 1.00 0.00 N ATOM 528 CA PHE A 36 1.897 1.666 7.198 1.00 0.00 C ATOM 529 C PHE A 36 2.644 2.926 7.625 1.00 0.00 C ATOM 530 O PHE A 36 3.452 3.466 6.871 1.00 0.00 O ATOM 531 CB PHE A 36 0.652 2.045 6.393 1.00 0.00 C ATOM 532 CG PHE A 36 0.955 2.859 5.168 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.464 4.142 5.282 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.731 2.341 3.903 1.00 0.00 C ATOM 535 CE1 PHE A 36 1.743 4.894 4.156 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.009 3.088 2.773 1.00 0.00 C ATOM 537 CZ PHE A 36 1.516 4.366 2.900 1.00 0.00 C ATOM 0 H PHE A 36 0.522 0.718 8.465 1.00 0.00 H new ATOM 0 HA PHE A 36 2.558 1.068 6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.131 1.135 6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.028 2.607 7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.645 4.560 6.261 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.335 1.342 3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.138 5.894 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.830 2.672 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.735 4.952 2.019 1.00 0.00 H new ATOM 547 N GLU A 37 2.365 3.388 8.840 1.00 0.00 N ATOM 548 CA GLU A 37 3.009 4.586 9.367 1.00 0.00 C ATOM 549 C GLU A 37 4.462 4.304 9.737 1.00 0.00 C ATOM 550 O GLU A 37 5.375 4.998 9.290 1.00 0.00 O ATOM 551 CB GLU A 37 2.250 5.103 10.591 1.00 0.00 C ATOM 552 CG GLU A 37 1.138 6.081 10.249 1.00 0.00 C ATOM 553 CD GLU A 37 1.612 7.214 9.360 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.254 8.150 9.883 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.340 7.167 8.142 1.00 0.00 O ATOM 0 H GLU A 37 1.698 2.952 9.477 1.00 0.00 H new ATOM 0 HA GLU A 37 2.992 5.349 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.825 4.256 11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.954 5.588 11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.330 5.546 9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.726 6.494 11.170 1.00 0.00 H new ATOM 562 N LYS A 38 4.669 3.280 10.558 1.00 0.00 N ATOM 563 CA LYS A 38 6.010 2.904 10.990 1.00 0.00 C ATOM 564 C LYS A 38 6.840 2.405 9.812 1.00 0.00 C ATOM 565 O LYS A 38 7.972 2.844 9.610 1.00 0.00 O ATOM 566 CB LYS A 38 5.936 1.822 12.070 1.00 0.00 C ATOM 567 CG LYS A 38 5.240 0.552 11.612 1.00 0.00 C ATOM 568 CD LYS A 38 5.175 -0.480 12.725 1.00 0.00 C ATOM 569 CE LYS A 38 6.401 -1.380 12.723 1.00 0.00 C ATOM 570 NZ LYS A 38 7.601 -0.684 13.264 1.00 0.00 N ATOM 0 H LYS A 38 3.925 2.695 10.938 1.00 0.00 H new ATOM 0 HA LYS A 38 6.493 3.789 11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.947 1.575 12.395 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.411 2.222 12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.231 0.790 11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.771 0.133 10.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.095 0.026 13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.277 -1.087 12.608 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.199 -2.271 13.318 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.604 -1.715 11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.222 -1.375 13.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.117 -0.225 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.304 0.035 13.954 1.00 0.00 H new ATOM 584 N GLN A 39 6.270 1.487 9.038 1.00 0.00 N ATOM 585 CA GLN A 39 6.959 0.930 7.880 1.00 0.00 C ATOM 586 C GLN A 39 6.207 1.250 6.593 1.00 0.00 C ATOM 587 O GLN A 39 5.182 0.639 6.291 1.00 0.00 O ATOM 588 CB GLN A 39 7.112 -0.585 8.032 1.00 0.00 C ATOM 589 CG GLN A 39 8.169 -1.184 7.117 1.00 0.00 C ATOM 590 CD GLN A 39 8.818 -2.421 7.707 1.00 0.00 C ATOM 591 OE1 GLN A 39 8.042 -3.490 7.840 1.00 0.00 O flip ATOM 592 NE2 GLN A 39 10.003 -2.415 8.039 1.00 0.00 N flip ATOM 0 H GLN A 39 5.333 1.113 9.192 1.00 0.00 H new ATOM 0 HA GLN A 39 7.948 1.385 7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.367 -0.814 9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.153 -1.061 7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.714 -1.439 6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.936 -0.436 6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.562 -1.570 7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.426 -3.255 8.434 1.00 0.00 H new ATOM 601 N LYS A 40 6.722 2.214 5.837 1.00 0.00 N ATOM 602 CA LYS A 40 6.100 2.616 4.581 1.00 0.00 C ATOM 603 C LYS A 40 5.763 1.399 3.726 1.00 0.00 C ATOM 604 O LYS A 40 4.693 1.329 3.122 1.00 0.00 O ATOM 605 CB LYS A 40 7.028 3.556 3.807 1.00 0.00 C ATOM 606 CG LYS A 40 7.337 4.848 4.543 1.00 0.00 C ATOM 607 CD LYS A 40 6.206 5.853 4.404 1.00 0.00 C ATOM 608 CE LYS A 40 6.359 7.004 5.387 1.00 0.00 C ATOM 609 NZ LYS A 40 7.673 7.688 5.239 1.00 0.00 N ATOM 0 H LYS A 40 7.569 2.731 6.073 1.00 0.00 H new ATOM 0 HA LYS A 40 5.174 3.141 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.962 3.037 3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.571 3.795 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.508 4.635 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.258 5.279 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.187 6.243 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.252 5.354 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.555 7.724 5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.258 6.628 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.674 8.563 5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.431 7.060 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.833 7.919 4.238 1.00 0.00 H new ATOM 623 N TYR A 41 6.683 0.442 3.680 1.00 0.00 N ATOM 624 CA TYR A 41 6.484 -0.773 2.898 1.00 0.00 C ATOM 625 C TYR A 41 6.909 -2.006 3.688 1.00 0.00 C ATOM 626 O TYR A 41 8.075 -2.150 4.058 1.00 0.00 O ATOM 627 CB TYR A 41 7.271 -0.696 1.588 1.00 0.00 C ATOM 628 CG TYR A 41 7.443 0.713 1.067 1.00 0.00 C ATOM 629 CD1 TYR A 41 6.341 1.519 0.810 1.00 0.00 C ATOM 630 CD2 TYR A 41 8.707 1.237 0.829 1.00 0.00 C ATOM 631 CE1 TYR A 41 6.493 2.806 0.333 1.00 0.00 C ATOM 632 CE2 TYR A 41 8.869 2.524 0.353 1.00 0.00 C ATOM 633 CZ TYR A 41 7.759 3.304 0.107 1.00 0.00 C ATOM 634 OH TYR A 41 7.916 4.586 -0.369 1.00 0.00 O ATOM 0 H TYR A 41 7.574 0.484 4.175 1.00 0.00 H new ATOM 0 HA TYR A 41 5.421 -0.858 2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.254 -1.142 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.762 -1.294 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.348 1.132 0.986 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.578 0.628 1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.625 3.419 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.859 2.917 0.175 1.00 0.00 H new ATOM 0 HH TYR A 41 8.871 4.782 -0.472 1.00 0.00 H new ATOM 644 N LEU A 42 5.955 -2.894 3.945 1.00 0.00 N ATOM 645 CA LEU A 42 6.229 -4.117 4.691 1.00 0.00 C ATOM 646 C LEU A 42 6.937 -5.144 3.813 1.00 0.00 C ATOM 647 O LEU A 42 6.662 -5.249 2.618 1.00 0.00 O ATOM 648 CB LEU A 42 4.927 -4.707 5.237 1.00 0.00 C ATOM 649 CG LEU A 42 4.101 -3.790 6.140 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.649 -4.239 6.172 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.683 -3.761 7.546 1.00 0.00 C ATOM 0 H LEU A 42 4.985 -2.790 3.648 1.00 0.00 H new ATOM 0 HA LEU A 42 6.885 -3.866 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.306 -5.008 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.167 -5.612 5.795 1.00 0.00 H new ATOM 0 HG LEU A 42 4.139 -2.780 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.077 -3.575 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.236 -4.207 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.592 -5.258 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.083 -3.104 8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.676 -4.768 7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.707 -3.391 7.508 1.00 0.00 H new ATOM 663 N SER A 43 7.848 -5.901 4.415 1.00 0.00 N ATOM 664 CA SER A 43 8.597 -6.919 3.688 1.00 0.00 C ATOM 665 C SER A 43 7.678 -8.048 3.233 1.00 0.00 C ATOM 666 O SER A 43 6.465 -8.000 3.440 1.00 0.00 O ATOM 667 CB SER A 43 9.719 -7.481 4.564 1.00 0.00 C ATOM 668 OG SER A 43 10.463 -6.439 5.170 1.00 0.00 O ATOM 0 H SER A 43 8.085 -5.829 5.404 1.00 0.00 H new ATOM 0 HA SER A 43 9.034 -6.452 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.295 -8.125 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.381 -8.101 3.959 1.00 0.00 H new ATOM 0 HG SER A 43 10.153 -6.308 6.090 1.00 0.00 H new ATOM 674 N THR A 44 8.265 -9.066 2.609 1.00 0.00 N ATOM 675 CA THR A 44 7.500 -10.207 2.123 1.00 0.00 C ATOM 676 C THR A 44 6.761 -10.900 3.262 1.00 0.00 C ATOM 677 O THR A 44 5.535 -11.014 3.260 1.00 0.00 O ATOM 678 CB THR A 44 8.408 -11.232 1.417 1.00 0.00 C ATOM 679 OG1 THR A 44 8.472 -10.947 0.015 1.00 0.00 O ATOM 680 CG2 THR A 44 7.894 -12.648 1.630 1.00 0.00 C ATOM 0 H THR A 44 9.267 -9.123 2.429 1.00 0.00 H new ATOM 0 HA THR A 44 6.776 -9.819 1.407 1.00 0.00 H new ATOM 0 HB THR A 44 9.406 -11.157 1.848 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.052 -11.602 -0.426 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.551 -13.354 1.122 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.876 -12.872 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.886 -12.734 1.224 1.00 0.00 H new ATOM 688 N PRO A 45 7.521 -11.373 4.260 1.00 0.00 N ATOM 689 CA PRO A 45 6.958 -12.062 5.426 1.00 0.00 C ATOM 690 C PRO A 45 6.179 -11.119 6.336 1.00 0.00 C ATOM 691 O PRO A 45 5.084 -11.447 6.793 1.00 0.00 O ATOM 692 CB PRO A 45 8.194 -12.602 6.149 1.00 0.00 C ATOM 693 CG PRO A 45 9.302 -11.695 5.738 1.00 0.00 C ATOM 694 CD PRO A 45 8.989 -11.272 4.329 1.00 0.00 C ATOM 0 HA PRO A 45 6.244 -12.834 5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.055 -12.593 7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.400 -13.633 5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.365 -10.831 6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.264 -12.206 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.332 -10.257 4.129 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.471 -11.921 3.598 1.00 0.00 H new ATOM 702 N ASP A 46 6.749 -9.947 6.594 1.00 0.00 N ATOM 703 CA ASP A 46 6.106 -8.956 7.448 1.00 0.00 C ATOM 704 C ASP A 46 4.631 -8.802 7.088 1.00 0.00 C ATOM 705 O ASP A 46 3.751 -9.087 7.900 1.00 0.00 O ATOM 706 CB ASP A 46 6.817 -7.607 7.325 1.00 0.00 C ATOM 707 CG ASP A 46 8.087 -7.545 8.149 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.225 -8.355 9.089 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.945 -6.685 7.855 1.00 0.00 O ATOM 0 H ASP A 46 7.655 -9.660 6.224 1.00 0.00 H new ATOM 0 HA ASP A 46 6.175 -9.302 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.057 -7.420 6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.141 -6.813 7.644 1.00 0.00 H new ATOM 714 N ARG A 47 4.370 -8.349 5.866 1.00 0.00 N ATOM 715 CA ARG A 47 3.002 -8.156 5.399 1.00 0.00 C ATOM 716 C ARG A 47 2.113 -9.321 5.823 1.00 0.00 C ATOM 717 O ARG A 47 0.980 -9.123 6.263 1.00 0.00 O ATOM 718 CB ARG A 47 2.976 -8.008 3.877 1.00 0.00 C ATOM 719 CG ARG A 47 1.581 -7.805 3.309 1.00 0.00 C ATOM 720 CD ARG A 47 1.626 -7.504 1.819 1.00 0.00 C ATOM 721 NE ARG A 47 2.070 -8.656 1.040 1.00 0.00 N ATOM 722 CZ ARG A 47 2.414 -8.589 -0.242 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.365 -7.431 -0.885 1.00 0.00 N ATOM 724 NH2 ARG A 47 2.809 -9.682 -0.882 1.00 0.00 N ATOM 0 H ARG A 47 5.087 -8.109 5.182 1.00 0.00 H new ATOM 0 HA ARG A 47 2.616 -7.243 5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.602 -7.162 3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.417 -8.897 3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.982 -8.699 3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.089 -6.985 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.636 -7.198 1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.298 -6.664 1.639 1.00 0.00 H new ATOM 0 HE ARG A 47 2.119 -9.562 1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.063 -6.588 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.630 -7.382 -1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.849 -10.575 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.073 -9.630 -1.866 1.00 0.00 H new ATOM 738 N ILE A 48 2.634 -10.536 5.687 1.00 0.00 N ATOM 739 CA ILE A 48 1.888 -11.732 6.056 1.00 0.00 C ATOM 740 C ILE A 48 1.540 -11.727 7.541 1.00 0.00 C ATOM 741 O ILE A 48 0.367 -11.704 7.914 1.00 0.00 O ATOM 742 CB ILE A 48 2.680 -13.013 5.730 1.00 0.00 C ATOM 743 CG1 ILE A 48 3.075 -13.032 4.253 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.861 -14.246 6.081 1.00 0.00 C ATOM 745 CD1 ILE A 48 4.067 -14.121 3.906 1.00 0.00 C ATOM 0 H ILE A 48 3.570 -10.718 5.324 1.00 0.00 H new ATOM 0 HA ILE A 48 0.969 -11.724 5.470 1.00 0.00 H new ATOM 0 HB ILE A 48 3.590 -13.023 6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.178 -13.162 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.502 -12.065 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.434 -15.143 5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.625 -14.236 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.936 -14.244 5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.301 -14.074 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.980 -13.980 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.636 -15.094 4.140 1.00 0.00 H new ATOM 757 N ASP A 49 2.567 -11.747 8.383 1.00 0.00 N ATOM 758 CA ASP A 49 2.370 -11.742 9.828 1.00 0.00 C ATOM 759 C ASP A 49 1.243 -10.791 10.220 1.00 0.00 C ATOM 760 O ASP A 49 0.405 -11.118 11.062 1.00 0.00 O ATOM 761 CB ASP A 49 3.664 -11.340 10.539 1.00 0.00 C ATOM 762 CG ASP A 49 3.792 -11.973 11.910 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.879 -13.216 11.984 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.804 -11.225 12.911 1.00 0.00 O ATOM 0 H ASP A 49 3.544 -11.767 8.090 1.00 0.00 H new ATOM 0 HA ASP A 49 2.093 -12.750 10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.517 -11.631 9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.699 -10.255 10.638 1.00 0.00 H new ATOM 769 N LEU A 50 1.229 -9.614 9.605 1.00 0.00 N ATOM 770 CA LEU A 50 0.206 -8.614 9.890 1.00 0.00 C ATOM 771 C LEU A 50 -1.162 -9.082 9.405 1.00 0.00 C ATOM 772 O LEU A 50 -2.071 -9.311 10.203 1.00 0.00 O ATOM 773 CB LEU A 50 0.566 -7.283 9.228 1.00 0.00 C ATOM 774 CG LEU A 50 -0.575 -6.276 9.080 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.891 -5.628 10.419 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.222 -5.219 8.043 1.00 0.00 C ATOM 0 H LEU A 50 1.914 -9.328 8.906 1.00 0.00 H new ATOM 0 HA LEU A 50 0.161 -8.474 10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.363 -6.816 9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.971 -7.491 8.238 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.463 -6.808 8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.705 -4.914 10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.187 -6.396 11.134 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.007 -5.109 10.790 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.045 -4.511 7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.679 -4.690 8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.046 -5.698 7.080 1.00 0.00 H new ATOM 788 N ALA A 51 -1.302 -9.226 8.091 1.00 0.00 N ATOM 789 CA ALA A 51 -2.557 -9.671 7.500 1.00 0.00 C ATOM 790 C ALA A 51 -3.218 -10.744 8.358 1.00 0.00 C ATOM 791 O ALA A 51 -4.441 -10.877 8.367 1.00 0.00 O ATOM 792 CB ALA A 51 -2.321 -10.192 6.090 1.00 0.00 C ATOM 0 H ALA A 51 -0.561 -9.041 7.416 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.230 -8.815 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.267 -10.521 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.900 -9.397 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.626 -11.031 6.124 1.00 0.00 H new ATOM 798 N GLU A 52 -2.401 -11.506 9.078 1.00 0.00 N ATOM 799 CA GLU A 52 -2.908 -12.569 9.939 1.00 0.00 C ATOM 800 C GLU A 52 -3.394 -12.004 11.271 1.00 0.00 C ATOM 801 O GLU A 52 -4.441 -12.402 11.780 1.00 0.00 O ATOM 802 CB GLU A 52 -1.823 -13.619 10.182 1.00 0.00 C ATOM 803 CG GLU A 52 -1.796 -14.721 9.136 1.00 0.00 C ATOM 804 CD GLU A 52 -3.004 -15.634 9.219 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.191 -16.275 10.275 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.762 -15.707 8.230 1.00 0.00 O ATOM 0 H GLU A 52 -1.386 -11.407 9.083 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.752 -13.040 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.851 -13.126 10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.976 -14.066 11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.751 -14.273 8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.889 -15.313 9.260 1.00 0.00 H new ATOM 813 N SER A 53 -2.624 -11.076 11.829 1.00 0.00 N ATOM 814 CA SER A 53 -2.973 -10.459 13.104 1.00 0.00 C ATOM 815 C SER A 53 -4.364 -9.835 13.043 1.00 0.00 C ATOM 816 O SER A 53 -5.205 -10.078 13.910 1.00 0.00 O ATOM 817 CB SER A 53 -1.940 -9.395 13.479 1.00 0.00 C ATOM 818 OG SER A 53 -0.668 -9.977 13.707 1.00 0.00 O ATOM 0 H SER A 53 -1.755 -10.735 11.419 1.00 0.00 H new ATOM 0 HA SER A 53 -2.976 -11.237 13.867 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.868 -8.657 12.681 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.267 -8.866 14.374 1.00 0.00 H new ATOM 0 HG SER A 53 -0.321 -10.344 12.867 1.00 0.00 H new ATOM 824 N LEU A 54 -4.599 -9.029 12.014 1.00 0.00 N ATOM 825 CA LEU A 54 -5.887 -8.368 11.838 1.00 0.00 C ATOM 826 C LEU A 54 -6.885 -9.295 11.149 1.00 0.00 C ATOM 827 O LEU A 54 -8.096 -9.137 11.294 1.00 0.00 O ATOM 828 CB LEU A 54 -5.718 -7.086 11.022 1.00 0.00 C ATOM 829 CG LEU A 54 -4.864 -5.991 11.662 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.671 -4.831 10.696 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.498 -5.509 12.958 1.00 0.00 C ATOM 0 H LEU A 54 -3.914 -8.817 11.288 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.275 -8.114 12.825 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.277 -7.347 10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.707 -6.675 10.819 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.885 -6.410 11.894 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.061 -4.061 11.169 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.172 -5.187 9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.642 -4.412 10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.876 -4.730 13.399 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.490 -5.108 12.751 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.583 -6.344 13.654 1.00 0.00 H new ATOM 843 N GLY A 55 -6.366 -10.264 10.401 1.00 0.00 N ATOM 844 CA GLY A 55 -7.225 -11.203 9.703 1.00 0.00 C ATOM 845 C GLY A 55 -7.335 -10.897 8.223 1.00 0.00 C ATOM 846 O GLY A 55 -7.972 -11.639 7.474 1.00 0.00 O ATOM 0 H GLY A 55 -5.366 -10.416 10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.837 -12.213 9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.219 -11.183 10.150 1.00 0.00 H new ATOM 850 N LEU A 56 -6.716 -9.801 7.799 1.00 0.00 N ATOM 851 CA LEU A 56 -6.749 -9.398 6.397 1.00 0.00 C ATOM 852 C LEU A 56 -5.832 -10.279 5.555 1.00 0.00 C ATOM 853 O LEU A 56 -5.125 -11.139 6.082 1.00 0.00 O ATOM 854 CB LEU A 56 -6.334 -7.932 6.258 1.00 0.00 C ATOM 855 CG LEU A 56 -7.222 -6.913 6.975 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.543 -5.553 7.020 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.577 -6.812 6.291 1.00 0.00 C ATOM 0 H LEU A 56 -6.185 -9.176 8.405 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.770 -9.517 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.316 -7.826 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.310 -7.681 5.198 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.379 -7.253 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.189 -4.841 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.597 -5.636 7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.356 -5.206 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.195 -6.083 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.440 -6.496 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.068 -7.785 6.311 1.00 0.00 H new ATOM 869 N SER A 57 -5.846 -10.057 4.245 1.00 0.00 N ATOM 870 CA SER A 57 -5.017 -10.832 3.329 1.00 0.00 C ATOM 871 C SER A 57 -3.828 -10.009 2.844 1.00 0.00 C ATOM 872 O SER A 57 -3.799 -8.789 3.002 1.00 0.00 O ATOM 873 CB SER A 57 -5.846 -11.306 2.134 1.00 0.00 C ATOM 874 OG SER A 57 -6.812 -12.264 2.530 1.00 0.00 O ATOM 0 H SER A 57 -6.422 -9.347 3.794 1.00 0.00 H new ATOM 0 HA SER A 57 -4.639 -11.701 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.343 -10.453 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.188 -11.739 1.380 1.00 0.00 H new ATOM 0 HG SER A 57 -7.329 -12.549 1.748 1.00 0.00 H new ATOM 880 N GLN A 58 -2.850 -10.686 2.251 1.00 0.00 N ATOM 881 CA GLN A 58 -1.658 -10.017 1.743 1.00 0.00 C ATOM 882 C GLN A 58 -2.031 -8.895 0.781 1.00 0.00 C ATOM 883 O GLN A 58 -1.385 -7.847 0.752 1.00 0.00 O ATOM 884 CB GLN A 58 -0.743 -11.023 1.042 1.00 0.00 C ATOM 885 CG GLN A 58 -0.337 -12.193 1.923 1.00 0.00 C ATOM 886 CD GLN A 58 0.274 -13.334 1.134 1.00 0.00 C ATOM 887 OE1 GLN A 58 -0.436 -14.123 0.510 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.599 -13.427 1.156 1.00 0.00 N ATOM 0 H GLN A 58 -2.859 -11.696 2.111 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.127 -9.582 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.249 -11.405 0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.155 -10.508 0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.378 -11.849 2.670 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.211 -12.557 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.149 -12.751 1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.066 -14.174 0.642 1.00 0.00 H new ATOM 897 N LEU A 59 -3.077 -9.121 -0.006 1.00 0.00 N ATOM 898 CA LEU A 59 -3.538 -8.129 -0.971 1.00 0.00 C ATOM 899 C LEU A 59 -3.866 -6.809 -0.281 1.00 0.00 C ATOM 900 O LEU A 59 -3.266 -5.777 -0.579 1.00 0.00 O ATOM 901 CB LEU A 59 -4.769 -8.647 -1.717 1.00 0.00 C ATOM 902 CG LEU A 59 -5.234 -7.808 -2.908 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.112 -7.651 -3.922 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.458 -8.437 -3.558 1.00 0.00 C ATOM 0 H LEU A 59 -3.622 -9.983 0.005 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.734 -7.954 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.557 -9.656 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.593 -8.723 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.508 -6.818 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.462 -7.051 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.263 -7.156 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.806 -8.634 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.775 -7.827 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.210 -9.439 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.267 -8.496 -2.830 1.00 0.00 H new ATOM 916 N GLN A 60 -4.820 -6.852 0.644 1.00 0.00 N ATOM 917 CA GLN A 60 -5.225 -5.659 1.378 1.00 0.00 C ATOM 918 C GLN A 60 -4.035 -4.737 1.620 1.00 0.00 C ATOM 919 O GLN A 60 -3.989 -3.617 1.111 1.00 0.00 O ATOM 920 CB GLN A 60 -5.864 -6.048 2.712 1.00 0.00 C ATOM 921 CG GLN A 60 -7.131 -6.876 2.562 1.00 0.00 C ATOM 922 CD GLN A 60 -8.291 -6.072 2.008 1.00 0.00 C ATOM 923 OE1 GLN A 60 -8.139 -5.327 1.040 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.459 -6.219 2.621 1.00 0.00 N ATOM 0 H GLN A 60 -5.326 -7.699 0.902 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.958 -5.124 0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.140 -6.610 3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.096 -5.142 3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.932 -7.721 1.903 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.409 -7.287 3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.540 -6.848 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.276 -5.703 2.293 1.00 0.00 H new ATOM 933 N VAL A 61 -3.071 -5.216 2.401 1.00 0.00 N ATOM 934 CA VAL A 61 -1.879 -4.436 2.711 1.00 0.00 C ATOM 935 C VAL A 61 -1.198 -3.945 1.438 1.00 0.00 C ATOM 936 O VAL A 61 -0.993 -2.745 1.253 1.00 0.00 O ATOM 937 CB VAL A 61 -0.871 -5.256 3.537 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.374 -4.432 3.830 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.512 -5.745 4.826 1.00 0.00 C ATOM 0 H VAL A 61 -3.093 -6.141 2.830 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.205 -3.578 3.299 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.572 -6.127 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.075 -5.028 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.843 -4.136 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.096 -3.541 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.785 -6.323 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.840 -4.890 5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.370 -6.374 4.590 1.00 0.00 H new ATOM 949 N LYS A 62 -0.849 -4.881 0.562 1.00 0.00 N ATOM 950 CA LYS A 62 -0.192 -4.546 -0.695 1.00 0.00 C ATOM 951 C LYS A 62 -0.906 -3.391 -1.391 1.00 0.00 C ATOM 952 O LYS A 62 -0.342 -2.309 -1.558 1.00 0.00 O ATOM 953 CB LYS A 62 -0.155 -5.767 -1.617 1.00 0.00 C ATOM 954 CG LYS A 62 0.721 -5.577 -2.843 1.00 0.00 C ATOM 955 CD LYS A 62 0.414 -6.611 -3.913 1.00 0.00 C ATOM 956 CE LYS A 62 0.727 -6.083 -5.305 1.00 0.00 C ATOM 957 NZ LYS A 62 0.225 -6.995 -6.370 1.00 0.00 N ATOM 0 H LYS A 62 -1.011 -5.879 0.700 1.00 0.00 H new ATOM 0 HA LYS A 62 0.829 -4.237 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.206 -6.627 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.170 -6.000 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.569 -4.577 -3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.770 -5.649 -2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.996 -7.514 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.638 -6.892 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.278 -5.098 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.804 -5.958 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.458 -6.600 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.673 -7.928 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.807 -7.095 -6.284 1.00 0.00 H new ATOM 971 N THR A 63 -2.150 -3.628 -1.795 1.00 0.00 N ATOM 972 CA THR A 63 -2.941 -2.609 -2.473 1.00 0.00 C ATOM 973 C THR A 63 -3.142 -1.388 -1.583 1.00 0.00 C ATOM 974 O THR A 63 -2.678 -0.293 -1.901 1.00 0.00 O ATOM 975 CB THR A 63 -4.318 -3.155 -2.895 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.155 -4.346 -3.672 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.087 -2.118 -3.701 1.00 0.00 C ATOM 0 H THR A 63 -2.632 -4.518 -1.664 1.00 0.00 H new ATOM 0 HA THR A 63 -2.385 -2.318 -3.365 1.00 0.00 H new ATOM 0 HB THR A 63 -4.886 -3.385 -1.993 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.035 -4.688 -3.935 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.056 -2.526 -3.988 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.235 -1.223 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.522 -1.861 -4.597 1.00 0.00 H new ATOM 985 N TRP A 64 -3.835 -1.583 -0.467 1.00 0.00 N ATOM 986 CA TRP A 64 -4.097 -0.496 0.470 1.00 0.00 C ATOM 987 C TRP A 64 -2.891 0.430 0.581 1.00 0.00 C ATOM 988 O TRP A 64 -3.023 1.651 0.494 1.00 0.00 O ATOM 989 CB TRP A 64 -4.452 -1.057 1.848 1.00 0.00 C ATOM 990 CG TRP A 64 -5.058 -0.039 2.766 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.338 0.437 2.731 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.409 0.629 3.853 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.523 1.362 3.731 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.355 1.496 4.434 1.00 0.00 C ATOM 995 CE3 TRP A 64 -3.121 0.578 4.393 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -5.051 2.304 5.526 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.821 1.381 5.477 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.782 2.234 6.035 1.00 0.00 C ATOM 0 H TRP A 64 -4.226 -2.483 -0.189 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.941 0.081 0.091 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.149 -1.886 1.726 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.552 -1.462 2.310 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.093 0.132 2.022 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.389 1.867 3.919 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.373 -0.077 3.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.790 2.963 5.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.828 1.350 5.901 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.517 2.848 6.883 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.715 -0.158 0.771 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.485 0.616 0.895 1.00 0.00 C ATOM 1011 C TYR A 65 -0.257 1.479 -0.342 1.00 0.00 C ATOM 1012 O TYR A 65 -0.131 2.699 -0.246 1.00 0.00 O ATOM 1013 CB TYR A 65 0.709 -0.316 1.108 1.00 0.00 C ATOM 1014 CG TYR A 65 1.016 -0.584 2.564 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.030 -1.038 3.431 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.294 -0.384 3.073 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.306 -1.283 4.762 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.579 -0.628 4.402 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.582 -1.077 5.243 1.00 0.00 C ATOM 1020 OH TYR A 65 1.862 -1.321 6.568 1.00 0.00 O ATOM 0 H TYR A 65 -1.587 -1.167 0.842 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.584 1.272 1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.513 -1.264 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.589 0.120 0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.970 -1.202 3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.077 -0.032 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.473 -1.634 5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.578 -0.468 4.781 1.00 0.00 H new ATOM 0 HH TYR A 65 2.806 -1.127 6.744 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.205 0.834 -1.503 1.00 0.00 N ATOM 1031 CA GLN A 66 0.009 1.542 -2.760 1.00 0.00 C ATOM 1032 C GLN A 66 -0.901 2.763 -2.858 1.00 0.00 C ATOM 1033 O GLN A 66 -0.431 3.886 -3.031 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.242 0.608 -3.945 1.00 0.00 C ATOM 1035 CG GLN A 66 0.031 1.250 -5.295 1.00 0.00 C ATOM 1036 CD GLN A 66 1.453 1.761 -5.421 1.00 0.00 C ATOM 1037 OE1 GLN A 66 1.770 2.865 -4.978 1.00 0.00 O ATOM 1038 NE2 GLN A 66 2.319 0.958 -6.029 1.00 0.00 N ATOM 0 H GLN A 66 -0.308 -0.176 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 66 1.045 1.880 -2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.386 -0.276 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.277 0.269 -3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.161 0.523 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.663 2.077 -5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.013 0.051 -6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.290 1.248 -6.144 1.00 0.00 H new ATOM 1047 N ASN A 67 -2.205 2.533 -2.748 1.00 0.00 N ATOM 1048 CA ASN A 67 -3.181 3.614 -2.826 1.00 0.00 C ATOM 1049 C ASN A 67 -2.867 4.704 -1.806 1.00 0.00 C ATOM 1050 O ASN A 67 -3.326 5.839 -1.934 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.593 3.073 -2.593 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.145 2.354 -3.809 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.295 1.039 -3.701 1.00 0.00 O flip ATOM 1054 ND2 ASN A 67 -5.432 2.975 -4.833 1.00 0.00 N flip ATOM 0 H ASN A 67 -2.610 1.608 -2.605 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.126 4.048 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.582 2.389 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.256 3.897 -2.330 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.300 3.986 -4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.802 2.479 -5.644 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.082 4.351 -0.793 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.707 5.298 0.250 1.00 0.00 C ATOM 1063 C ARG A 68 -0.368 5.956 -0.069 1.00 0.00 C ATOM 1064 O ARG A 68 -0.103 7.083 0.350 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.632 4.594 1.606 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.993 4.256 2.193 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.668 5.487 2.777 1.00 0.00 C ATOM 1068 NE ARG A 68 -2.840 6.138 3.788 1.00 0.00 N ATOM 1069 CZ ARG A 68 -2.969 7.414 4.134 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -3.888 8.172 3.552 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -2.177 7.935 5.063 1.00 0.00 N ATOM 0 H ARG A 68 -1.693 3.416 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.472 6.073 0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.054 3.676 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.091 5.230 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.627 3.824 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.878 3.500 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.886 6.194 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.622 5.201 3.219 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.123 5.582 4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.498 7.776 2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.985 9.152 3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.468 7.355 5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.277 8.915 5.328 1.00 0.00 H new