USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=10 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= -0.108 USER MOD Single : A 28 GLN : amide:sc= -2.86! C(o=-2.9!,f=-8!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -129:sc= -0.0241 (180deg=-1.04) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.4!) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -0.389 (180deg=-0.633) 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 -68:sc= -0.51 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 60 GLN : amide:sc= -9.38! C(o=-9.4!,f=-13!) 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 0:sc= -1.69! USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 67 ASN : amide:sc= -1.47! X(o=-1.5!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.085 -1.513 4.433 1.00 0.00 N ATOM 320 CA PHE A 24 -11.542 -1.811 5.753 1.00 0.00 C ATOM 321 C PHE A 24 -12.328 -1.086 6.841 1.00 0.00 C ATOM 322 O PHE A 24 -12.840 0.013 6.627 1.00 0.00 O ATOM 323 CB PHE A 24 -10.066 -1.411 5.822 1.00 0.00 C ATOM 324 CG PHE A 24 -9.240 -1.972 4.700 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.455 -1.565 3.393 1.00 0.00 C ATOM 326 CD2 PHE A 24 -8.248 -2.906 4.953 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.696 -2.080 2.359 1.00 0.00 C ATOM 328 CE2 PHE A 24 -7.486 -3.423 3.923 1.00 0.00 C ATOM 329 CZ PHE A 24 -7.711 -3.010 2.624 1.00 0.00 C ATOM 0 HA PHE A 24 -11.629 -2.884 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.991 -0.324 5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.651 -1.748 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.224 -0.837 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.069 -3.233 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.873 -1.755 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.715 -4.149 4.133 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.117 -3.414 1.817 1.00 0.00 H new ATOM 339 N THR A 25 -12.421 -1.711 8.011 1.00 0.00 N ATOM 340 CA THR A 25 -13.146 -1.128 9.133 1.00 0.00 C ATOM 341 C THR A 25 -12.204 -0.375 10.065 1.00 0.00 C ATOM 342 O THR A 25 -11.007 -0.656 10.111 1.00 0.00 O ATOM 343 CB THR A 25 -13.894 -2.206 9.940 1.00 0.00 C ATOM 344 OG1 THR A 25 -14.375 -1.652 11.169 1.00 0.00 O ATOM 345 CG2 THR A 25 -12.986 -3.391 10.232 1.00 0.00 C ATOM 0 H THR A 25 -12.003 -2.621 8.206 1.00 0.00 H new ATOM 0 HA THR A 25 -13.871 -0.431 8.712 1.00 0.00 H new ATOM 0 HB THR A 25 -14.738 -2.554 9.344 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.851 -2.343 11.675 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.536 -4.139 10.803 1.00 0.00 H new ATOM 0 HG22 THR A 25 -12.646 -3.829 9.293 1.00 0.00 H new ATOM 0 HG23 THR A 25 -12.124 -3.056 10.809 1.00 0.00 H new ATOM 353 N GLU A 26 -12.753 0.583 10.806 1.00 0.00 N ATOM 354 CA GLU A 26 -11.959 1.376 11.737 1.00 0.00 C ATOM 355 C GLU A 26 -10.855 0.532 12.367 1.00 0.00 C ATOM 356 O GLU A 26 -9.702 0.958 12.449 1.00 0.00 O ATOM 357 CB GLU A 26 -12.853 1.965 12.831 1.00 0.00 C ATOM 358 CG GLU A 26 -13.429 3.326 12.479 1.00 0.00 C ATOM 359 CD GLU A 26 -14.740 3.227 11.724 1.00 0.00 C ATOM 360 OE1 GLU A 26 -15.718 2.706 12.300 1.00 0.00 O ATOM 361 OE2 GLU A 26 -14.789 3.669 10.557 1.00 0.00 O ATOM 0 H GLU A 26 -13.743 0.828 10.780 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.496 2.190 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.672 1.274 13.031 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.277 2.051 13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.583 3.899 13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.707 3.877 11.876 1.00 0.00 H new ATOM 368 N LEU A 27 -11.215 -0.666 12.812 1.00 0.00 N ATOM 369 CA LEU A 27 -10.256 -1.571 13.436 1.00 0.00 C ATOM 370 C LEU A 27 -9.084 -1.851 12.501 1.00 0.00 C ATOM 371 O LEU A 27 -7.959 -1.421 12.756 1.00 0.00 O ATOM 372 CB LEU A 27 -10.940 -2.884 13.822 1.00 0.00 C ATOM 373 CG LEU A 27 -10.359 -3.613 15.034 1.00 0.00 C ATOM 374 CD1 LEU A 27 -11.035 -3.144 16.313 1.00 0.00 C ATOM 375 CD2 LEU A 27 -10.507 -5.119 14.872 1.00 0.00 C ATOM 0 H LEU A 27 -12.164 -1.034 12.752 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.873 -1.090 14.336 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.992 -2.678 14.017 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.900 -3.557 12.965 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.297 -3.377 15.101 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.609 -3.674 17.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.877 -2.072 16.436 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.104 -3.349 16.256 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.088 -5.622 15.744 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.563 -5.373 14.779 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.976 -5.443 13.977 1.00 0.00 H new ATOM 387 N GLN A 28 -9.356 -2.572 11.419 1.00 0.00 N ATOM 388 CA GLN A 28 -8.323 -2.907 10.445 1.00 0.00 C ATOM 389 C GLN A 28 -7.537 -1.666 10.037 1.00 0.00 C ATOM 390 O GLN A 28 -6.305 -1.673 10.029 1.00 0.00 O ATOM 391 CB GLN A 28 -8.949 -3.559 9.210 1.00 0.00 C ATOM 392 CG GLN A 28 -9.821 -4.761 9.533 1.00 0.00 C ATOM 393 CD GLN A 28 -9.173 -5.701 10.530 1.00 0.00 C ATOM 394 OE1 GLN A 28 -8.903 -5.324 11.671 1.00 0.00 O ATOM 395 NE2 GLN A 28 -8.920 -6.934 10.105 1.00 0.00 N ATOM 0 H GLN A 28 -10.282 -2.936 11.194 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.635 -3.613 10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.548 -2.817 8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.155 -3.869 8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.775 -4.416 9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.038 -5.305 8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.160 -7.204 9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.485 -7.611 10.733 1.00 0.00 H new ATOM 404 N LEU A 29 -8.255 -0.602 9.697 1.00 0.00 N ATOM 405 CA LEU A 29 -7.625 0.648 9.287 1.00 0.00 C ATOM 406 C LEU A 29 -6.673 1.157 10.364 1.00 0.00 C ATOM 407 O LEU A 29 -5.554 1.576 10.071 1.00 0.00 O ATOM 408 CB LEU A 29 -8.689 1.705 8.989 1.00 0.00 C ATOM 409 CG LEU A 29 -9.362 1.613 7.619 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.385 2.726 7.450 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.323 1.668 6.509 1.00 0.00 C ATOM 0 H LEU A 29 -9.275 -0.580 9.697 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.050 0.456 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.461 1.641 9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.230 2.689 9.081 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.882 0.657 7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.853 2.644 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.147 2.640 8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.888 3.693 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.820 1.601 5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.774 2.608 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.629 0.835 6.619 1.00 0.00 H new ATOM 423 N MET A 30 -7.126 1.116 11.613 1.00 0.00 N ATOM 424 CA MET A 30 -6.313 1.571 12.736 1.00 0.00 C ATOM 425 C MET A 30 -4.972 0.845 12.765 1.00 0.00 C ATOM 426 O MET A 30 -3.928 1.457 12.987 1.00 0.00 O ATOM 427 CB MET A 30 -7.056 1.347 14.054 1.00 0.00 C ATOM 428 CG MET A 30 -6.169 1.483 15.282 1.00 0.00 C ATOM 429 SD MET A 30 -7.086 1.996 16.747 1.00 0.00 S ATOM 430 CE MET A 30 -7.147 0.458 17.663 1.00 0.00 C ATOM 0 H MET A 30 -8.051 0.773 11.873 1.00 0.00 H new ATOM 0 HA MET A 30 -6.126 2.637 12.609 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.875 2.063 14.126 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.502 0.352 14.046 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.680 0.529 15.480 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.382 2.209 15.078 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.685 0.613 18.598 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.661 -0.299 17.070 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.133 0.123 17.879 1.00 0.00 H new ATOM 440 N GLY A 31 -5.008 -0.465 12.539 1.00 0.00 N ATOM 441 CA GLY A 31 -3.789 -1.253 12.544 1.00 0.00 C ATOM 442 C GLY A 31 -2.968 -1.060 11.284 1.00 0.00 C ATOM 443 O GLY A 31 -1.739 -0.997 11.338 1.00 0.00 O ATOM 0 H GLY A 31 -5.860 -0.995 12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.187 -0.980 13.411 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.042 -2.308 12.651 1.00 0.00 H new ATOM 447 N LEU A 32 -3.647 -0.966 10.146 1.00 0.00 N ATOM 448 CA LEU A 32 -2.973 -0.781 8.866 1.00 0.00 C ATOM 449 C LEU A 32 -2.203 0.536 8.842 1.00 0.00 C ATOM 450 O LEU A 32 -1.032 0.574 8.466 1.00 0.00 O ATOM 451 CB LEU A 32 -3.989 -0.812 7.723 1.00 0.00 C ATOM 452 CG LEU A 32 -4.271 -2.185 7.113 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.380 -2.091 6.076 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.007 -2.763 6.493 1.00 0.00 C ATOM 0 H LEU A 32 -4.664 -1.015 10.084 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.264 -1.598 8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.929 -0.399 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.636 -0.151 6.932 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.601 -2.854 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.567 -3.078 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.290 -1.721 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.079 -1.407 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.227 -3.741 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.648 -2.095 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.240 -2.868 7.261 1.00 0.00 H new ATOM 466 N GLU A 33 -2.870 1.613 9.247 1.00 0.00 N ATOM 467 CA GLU A 33 -2.247 2.931 9.273 1.00 0.00 C ATOM 468 C GLU A 33 -1.041 2.944 10.208 1.00 0.00 C ATOM 469 O GLU A 33 -0.062 3.651 9.967 1.00 0.00 O ATOM 470 CB GLU A 33 -3.260 3.990 9.714 1.00 0.00 C ATOM 471 CG GLU A 33 -4.362 4.238 8.698 1.00 0.00 C ATOM 472 CD GLU A 33 -5.280 5.376 9.100 1.00 0.00 C ATOM 473 OE1 GLU A 33 -4.781 6.507 9.276 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.497 5.135 9.237 1.00 0.00 O ATOM 0 H GLU A 33 -3.840 1.598 9.561 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.906 3.163 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.710 3.680 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.735 4.926 9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.915 4.462 7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.949 3.328 8.575 1.00 0.00 H new ATOM 481 N LYS A 34 -1.119 2.158 11.276 1.00 0.00 N ATOM 482 CA LYS A 34 -0.035 2.078 12.249 1.00 0.00 C ATOM 483 C LYS A 34 1.205 1.440 11.630 1.00 0.00 C ATOM 484 O LYS A 34 2.301 1.996 11.700 1.00 0.00 O ATOM 485 CB LYS A 34 -0.479 1.273 13.472 1.00 0.00 C ATOM 486 CG LYS A 34 0.202 1.701 14.761 1.00 0.00 C ATOM 487 CD LYS A 34 -0.385 2.995 15.299 1.00 0.00 C ATOM 488 CE LYS A 34 0.577 3.691 16.249 1.00 0.00 C ATOM 489 NZ LYS A 34 1.744 4.272 15.528 1.00 0.00 N ATOM 0 H LYS A 34 -1.922 1.567 11.490 1.00 0.00 H new ATOM 0 HA LYS A 34 0.216 3.092 12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.558 1.373 13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.274 0.217 13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.096 0.914 15.508 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.270 1.831 14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.623 3.660 14.469 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.320 2.784 15.817 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.051 4.481 16.785 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.929 2.979 16.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.625 3.962 15.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.737 3.950 14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.687 5.310 15.554 1.00 0.00 H new ATOM 503 N ARG A 35 1.023 0.271 11.023 1.00 0.00 N ATOM 504 CA ARG A 35 2.127 -0.441 10.392 1.00 0.00 C ATOM 505 C ARG A 35 2.697 0.362 9.227 1.00 0.00 C ATOM 506 O ARG A 35 3.867 0.746 9.238 1.00 0.00 O ATOM 507 CB ARG A 35 1.662 -1.813 9.900 1.00 0.00 C ATOM 508 CG ARG A 35 1.550 -2.851 11.004 1.00 0.00 C ATOM 509 CD ARG A 35 2.921 -3.296 11.490 1.00 0.00 C ATOM 510 NE ARG A 35 2.829 -4.357 12.490 1.00 0.00 N ATOM 511 CZ ARG A 35 2.596 -4.134 13.779 1.00 0.00 C ATOM 512 NH1 ARG A 35 2.432 -2.895 14.222 1.00 0.00 N ATOM 513 NH2 ARG A 35 2.527 -5.152 14.627 1.00 0.00 N ATOM 0 H ARG A 35 0.122 -0.202 10.955 1.00 0.00 H new ATOM 0 HA ARG A 35 2.912 -0.576 11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.692 -1.706 9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.359 -2.174 9.144 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.983 -2.437 11.838 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.994 -3.714 10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.510 -3.647 10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.450 -2.443 11.914 1.00 0.00 H new ATOM 0 HE ARG A 35 2.950 -5.322 12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.485 -2.110 13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.253 -2.727 15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.653 -6.106 14.290 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.348 -4.980 15.616 1.00 0.00 H new ATOM 527 N PHE A 36 1.864 0.613 8.223 1.00 0.00 N ATOM 528 CA PHE A 36 2.285 1.369 7.050 1.00 0.00 C ATOM 529 C PHE A 36 3.100 2.593 7.456 1.00 0.00 C ATOM 530 O PHE A 36 4.208 2.805 6.963 1.00 0.00 O ATOM 531 CB PHE A 36 1.067 1.802 6.231 1.00 0.00 C ATOM 532 CG PHE A 36 1.423 2.522 4.962 1.00 0.00 C ATOM 533 CD1 PHE A 36 2.047 3.758 5.002 1.00 0.00 C ATOM 534 CD2 PHE A 36 1.134 1.961 3.728 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.374 4.422 3.835 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.459 2.621 2.558 1.00 0.00 C ATOM 537 CZ PHE A 36 2.082 3.853 2.612 1.00 0.00 C ATOM 0 H PHE A 36 0.892 0.303 8.198 1.00 0.00 H new ATOM 0 HA PHE A 36 2.914 0.722 6.438 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.473 0.922 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.439 2.450 6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.281 4.208 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.649 0.997 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.858 5.386 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.226 2.174 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.340 4.370 1.699 1.00 0.00 H new ATOM 547 N GLU A 37 2.543 3.396 8.357 1.00 0.00 N ATOM 548 CA GLU A 37 3.217 4.600 8.828 1.00 0.00 C ATOM 549 C GLU A 37 4.656 4.293 9.236 1.00 0.00 C ATOM 550 O GLU A 37 5.594 4.952 8.788 1.00 0.00 O ATOM 551 CB GLU A 37 2.459 5.207 10.009 1.00 0.00 C ATOM 552 CG GLU A 37 1.337 6.144 9.596 1.00 0.00 C ATOM 553 CD GLU A 37 1.848 7.419 8.953 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.748 8.058 9.539 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.349 7.778 7.867 1.00 0.00 O ATOM 0 H GLU A 37 1.627 3.234 8.775 1.00 0.00 H new ATOM 0 HA GLU A 37 3.235 5.320 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.044 4.402 10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.162 5.751 10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.677 5.629 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.740 6.397 10.472 1.00 0.00 H new ATOM 562 N LYS A 38 4.820 3.288 10.089 1.00 0.00 N ATOM 563 CA LYS A 38 6.143 2.892 10.559 1.00 0.00 C ATOM 564 C LYS A 38 6.991 2.358 9.409 1.00 0.00 C ATOM 565 O LYS A 38 8.051 2.904 9.103 1.00 0.00 O ATOM 566 CB LYS A 38 6.020 1.829 11.653 1.00 0.00 C ATOM 567 CG LYS A 38 5.297 2.316 12.896 1.00 0.00 C ATOM 568 CD LYS A 38 5.195 1.222 13.946 1.00 0.00 C ATOM 569 CE LYS A 38 4.415 1.691 15.165 1.00 0.00 C ATOM 570 NZ LYS A 38 4.129 0.571 16.105 1.00 0.00 N ATOM 0 H LYS A 38 4.054 2.733 10.469 1.00 0.00 H new ATOM 0 HA LYS A 38 6.635 3.773 10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.491 0.965 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.018 1.490 11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.825 3.174 13.313 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.298 2.657 12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.708 0.347 13.515 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.195 0.913 14.249 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.982 2.464 15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.477 2.144 14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.596 0.931 16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.567 -0.156 15.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.024 0.155 16.432 1.00 0.00 H new ATOM 584 N GLN A 39 6.517 1.290 8.776 1.00 0.00 N ATOM 585 CA GLN A 39 7.232 0.685 7.659 1.00 0.00 C ATOM 586 C GLN A 39 6.534 0.985 6.337 1.00 0.00 C ATOM 587 O GLN A 39 5.488 0.412 6.031 1.00 0.00 O ATOM 588 CB GLN A 39 7.344 -0.828 7.858 1.00 0.00 C ATOM 589 CG GLN A 39 8.275 -1.505 6.864 1.00 0.00 C ATOM 590 CD GLN A 39 8.904 -2.767 7.421 1.00 0.00 C ATOM 591 OE1 GLN A 39 8.883 -3.005 8.629 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.467 -3.586 6.540 1.00 0.00 N ATOM 0 H GLN A 39 5.641 0.826 9.018 1.00 0.00 H new ATOM 0 HA GLN A 39 8.233 1.116 7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.698 -1.028 8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.352 -1.272 7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.719 -1.750 5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.062 -0.808 6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.462 -3.349 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.905 -4.452 6.856 1.00 0.00 H new ATOM 601 N LYS A 40 7.118 1.888 5.557 1.00 0.00 N ATOM 602 CA LYS A 40 6.553 2.265 4.267 1.00 0.00 C ATOM 603 C LYS A 40 6.204 1.030 3.443 1.00 0.00 C ATOM 604 O LYS A 40 5.217 1.021 2.707 1.00 0.00 O ATOM 605 CB LYS A 40 7.537 3.145 3.493 1.00 0.00 C ATOM 606 CG LYS A 40 7.752 4.513 4.118 1.00 0.00 C ATOM 607 CD LYS A 40 6.545 5.414 3.916 1.00 0.00 C ATOM 608 CE LYS A 40 6.508 6.535 4.943 1.00 0.00 C ATOM 609 NZ LYS A 40 6.190 6.028 6.307 1.00 0.00 N ATOM 0 H LYS A 40 7.983 2.373 5.796 1.00 0.00 H new ATOM 0 HA LYS A 40 5.638 2.828 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.496 2.631 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.172 3.274 2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.949 4.400 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.634 4.980 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.571 5.839 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.632 4.823 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.472 7.044 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.763 7.274 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.860 6.815 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.445 5.305 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.043 5.609 6.729 1.00 0.00 H new ATOM 623 N TYR A 41 7.018 -0.011 3.573 1.00 0.00 N ATOM 624 CA TYR A 41 6.796 -1.252 2.840 1.00 0.00 C ATOM 625 C TYR A 41 7.265 -2.456 3.652 1.00 0.00 C ATOM 626 O TYR A 41 8.445 -2.575 3.983 1.00 0.00 O ATOM 627 CB TYR A 41 7.525 -1.213 1.497 1.00 0.00 C ATOM 628 CG TYR A 41 7.663 0.179 0.923 1.00 0.00 C ATOM 629 CD1 TYR A 41 6.563 0.849 0.403 1.00 0.00 C ATOM 630 CD2 TYR A 41 8.894 0.824 0.899 1.00 0.00 C ATOM 631 CE1 TYR A 41 6.684 2.121 -0.124 1.00 0.00 C ATOM 632 CE2 TYR A 41 9.024 2.096 0.377 1.00 0.00 C ATOM 633 CZ TYR A 41 7.916 2.740 -0.134 1.00 0.00 C ATOM 634 OH TYR A 41 8.042 4.006 -0.657 1.00 0.00 O ATOM 0 H TYR A 41 7.838 -0.021 4.179 1.00 0.00 H new ATOM 0 HA TYR A 41 5.725 -1.352 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.518 -1.647 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.989 -1.839 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.596 0.368 0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.764 0.322 1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.819 2.627 -0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.988 2.584 0.369 1.00 0.00 H new ATOM 0 HH TYR A 41 8.975 4.298 -0.587 1.00 0.00 H new ATOM 644 N LEU A 42 6.332 -3.347 3.969 1.00 0.00 N ATOM 645 CA LEU A 42 6.648 -4.543 4.741 1.00 0.00 C ATOM 646 C LEU A 42 7.354 -5.581 3.874 1.00 0.00 C ATOM 647 O LEU A 42 7.244 -5.558 2.648 1.00 0.00 O ATOM 648 CB LEU A 42 5.372 -5.142 5.336 1.00 0.00 C ATOM 649 CG LEU A 42 4.388 -4.148 5.954 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.961 -4.656 5.821 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.732 -3.895 7.414 1.00 0.00 C ATOM 0 H LEU A 42 5.351 -3.264 3.703 1.00 0.00 H new ATOM 0 HA LEU A 42 7.319 -4.256 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.854 -5.695 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.656 -5.864 6.101 1.00 0.00 H new ATOM 0 HG LEU A 42 4.467 -3.205 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.275 -3.935 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.717 -4.785 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.866 -5.613 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.021 -3.185 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.682 -4.833 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.740 -3.485 7.485 1.00 0.00 H new ATOM 663 N SER A 43 8.077 -6.490 4.519 1.00 0.00 N ATOM 664 CA SER A 43 8.803 -7.535 3.807 1.00 0.00 C ATOM 665 C SER A 43 7.853 -8.635 3.341 1.00 0.00 C ATOM 666 O SER A 43 6.638 -8.538 3.516 1.00 0.00 O ATOM 667 CB SER A 43 9.891 -8.131 4.702 1.00 0.00 C ATOM 668 OG SER A 43 10.727 -7.117 5.232 1.00 0.00 O ATOM 0 H SER A 43 8.176 -6.524 5.534 1.00 0.00 H new ATOM 0 HA SER A 43 9.270 -7.086 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.430 -8.690 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.490 -8.839 4.129 1.00 0.00 H new ATOM 0 HG SER A 43 11.413 -7.523 5.802 1.00 0.00 H new ATOM 674 N THR A 44 8.417 -9.682 2.747 1.00 0.00 N ATOM 675 CA THR A 44 7.622 -10.801 2.254 1.00 0.00 C ATOM 676 C THR A 44 6.789 -11.417 3.372 1.00 0.00 C ATOM 677 O THR A 44 5.561 -11.473 3.305 1.00 0.00 O ATOM 678 CB THR A 44 8.514 -11.892 1.632 1.00 0.00 C ATOM 679 OG1 THR A 44 8.667 -11.657 0.228 1.00 0.00 O ATOM 680 CG2 THR A 44 7.916 -13.272 1.858 1.00 0.00 C ATOM 0 H THR A 44 9.421 -9.779 2.595 1.00 0.00 H new ATOM 0 HA THR A 44 6.958 -10.404 1.486 1.00 0.00 H new ATOM 0 HB THR A 44 9.490 -11.853 2.115 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.237 -12.354 -0.160 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.563 -14.027 1.410 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.827 -13.459 2.928 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.929 -13.321 1.398 1.00 0.00 H new ATOM 688 N PRO A 45 7.470 -11.892 4.426 1.00 0.00 N ATOM 689 CA PRO A 45 6.812 -12.512 5.579 1.00 0.00 C ATOM 690 C PRO A 45 6.031 -11.502 6.414 1.00 0.00 C ATOM 691 O PRO A 45 4.913 -11.776 6.851 1.00 0.00 O ATOM 692 CB PRO A 45 7.978 -13.086 6.387 1.00 0.00 C ATOM 693 CG PRO A 45 9.150 -12.246 6.010 1.00 0.00 C ATOM 694 CD PRO A 45 8.935 -11.858 4.573 1.00 0.00 C ATOM 0 HA PRO A 45 6.077 -13.258 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.781 -13.033 7.458 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.149 -14.135 6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.219 -11.364 6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.082 -12.799 6.130 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.337 -10.868 4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.424 -12.554 3.891 1.00 0.00 H new ATOM 702 N ASP A 46 6.627 -10.334 6.630 1.00 0.00 N ATOM 703 CA ASP A 46 5.986 -9.283 7.411 1.00 0.00 C ATOM 704 C ASP A 46 4.516 -9.140 7.028 1.00 0.00 C ATOM 705 O ASP A 46 3.628 -9.294 7.866 1.00 0.00 O ATOM 706 CB ASP A 46 6.711 -7.952 7.205 1.00 0.00 C ATOM 707 CG ASP A 46 6.214 -6.870 8.144 1.00 0.00 C ATOM 708 OD1 ASP A 46 5.042 -6.947 8.569 1.00 0.00 O ATOM 709 OD2 ASP A 46 6.995 -5.946 8.453 1.00 0.00 O ATOM 0 H ASP A 46 7.552 -10.092 6.275 1.00 0.00 H new ATOM 0 HA ASP A 46 6.043 -9.561 8.464 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.781 -8.097 7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.577 -7.624 6.174 1.00 0.00 H new ATOM 714 N ARG A 47 4.268 -8.842 5.756 1.00 0.00 N ATOM 715 CA ARG A 47 2.906 -8.676 5.263 1.00 0.00 C ATOM 716 C ARG A 47 1.999 -9.786 5.787 1.00 0.00 C ATOM 717 O ARG A 47 0.829 -9.552 6.091 1.00 0.00 O ATOM 718 CB ARG A 47 2.892 -8.671 3.733 1.00 0.00 C ATOM 719 CG ARG A 47 1.525 -8.381 3.137 1.00 0.00 C ATOM 720 CD ARG A 47 1.639 -7.789 1.741 1.00 0.00 C ATOM 721 NE ARG A 47 2.552 -6.650 1.703 1.00 0.00 N ATOM 722 CZ ARG A 47 3.168 -6.239 0.600 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.970 -6.869 -0.549 1.00 0.00 N ATOM 724 NH2 ARG A 47 3.985 -5.193 0.646 1.00 0.00 N ATOM 0 H ARG A 47 4.992 -8.711 5.049 1.00 0.00 H new ATOM 0 HA ARG A 47 2.529 -7.720 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.601 -7.925 3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.238 -9.639 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.942 -9.301 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.985 -7.690 3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.987 -8.556 1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.653 -7.475 1.399 1.00 0.00 H new ATOM 0 HE ARG A 47 2.726 -6.142 2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.343 -7.672 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.445 -6.550 -1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.140 -4.705 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.458 -4.878 -0.201 1.00 0.00 H new ATOM 738 N ILE A 48 2.546 -10.992 5.888 1.00 0.00 N ATOM 739 CA ILE A 48 1.786 -12.136 6.375 1.00 0.00 C ATOM 740 C ILE A 48 1.495 -12.009 7.867 1.00 0.00 C ATOM 741 O ILE A 48 0.338 -11.954 8.281 1.00 0.00 O ATOM 742 CB ILE A 48 2.535 -13.458 6.121 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.887 -13.593 4.638 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.694 -14.640 6.581 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.689 -14.835 4.318 1.00 0.00 C ATOM 0 H ILE A 48 3.513 -11.202 5.639 1.00 0.00 H new ATOM 0 HA ILE A 48 0.846 -12.148 5.824 1.00 0.00 H new ATOM 0 HB ILE A 48 3.461 -13.450 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.967 -13.604 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.452 -12.715 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.237 -15.567 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.489 -14.547 7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.753 -14.653 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.902 -14.865 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.626 -14.817 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.117 -15.720 4.599 1.00 0.00 H new ATOM 757 N ASP A 49 2.554 -11.960 8.668 1.00 0.00 N ATOM 758 CA ASP A 49 2.413 -11.835 10.114 1.00 0.00 C ATOM 759 C ASP A 49 1.303 -10.851 10.469 1.00 0.00 C ATOM 760 O ASP A 49 0.534 -11.076 11.405 1.00 0.00 O ATOM 761 CB ASP A 49 3.733 -11.382 10.739 1.00 0.00 C ATOM 762 CG ASP A 49 3.872 -11.825 12.183 1.00 0.00 C ATOM 763 OD1 ASP A 49 2.847 -11.858 12.895 1.00 0.00 O ATOM 764 OD2 ASP A 49 5.006 -12.139 12.600 1.00 0.00 O ATOM 0 H ASP A 49 3.519 -12.005 8.340 1.00 0.00 H new ATOM 0 HA ASP A 49 2.148 -12.813 10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.563 -11.783 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.802 -10.295 10.687 1.00 0.00 H new ATOM 769 N LEU A 50 1.226 -9.758 9.717 1.00 0.00 N ATOM 770 CA LEU A 50 0.211 -8.738 9.953 1.00 0.00 C ATOM 771 C LEU A 50 -1.158 -9.211 9.474 1.00 0.00 C ATOM 772 O LEU A 50 -2.115 -9.258 10.247 1.00 0.00 O ATOM 773 CB LEU A 50 0.591 -7.438 9.242 1.00 0.00 C ATOM 774 CG LEU A 50 -0.533 -6.417 9.063 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.793 -5.675 10.365 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.192 -5.438 7.948 1.00 0.00 C ATOM 0 H LEU A 50 1.854 -9.556 8.939 1.00 0.00 H new ATOM 0 HA LEU A 50 0.157 -8.556 11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.399 -6.965 9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.987 -7.688 8.258 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.442 -6.951 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.596 -4.953 10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.082 -6.387 11.138 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.113 -5.153 10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.003 -4.719 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.729 -4.910 8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.057 -5.983 7.014 1.00 0.00 H new ATOM 788 N ALA A 51 -1.243 -9.562 8.196 1.00 0.00 N ATOM 789 CA ALA A 51 -2.494 -10.036 7.615 1.00 0.00 C ATOM 790 C ALA A 51 -3.135 -11.106 8.492 1.00 0.00 C ATOM 791 O ALA A 51 -4.332 -11.370 8.388 1.00 0.00 O ATOM 792 CB ALA A 51 -2.254 -10.574 6.212 1.00 0.00 C ATOM 0 H ALA A 51 -0.461 -9.527 7.542 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.181 -9.192 7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.196 -10.924 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.847 -9.782 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.546 -11.402 6.256 1.00 0.00 H new ATOM 798 N GLU A 52 -2.330 -11.719 9.354 1.00 0.00 N ATOM 799 CA GLU A 52 -2.821 -12.762 10.247 1.00 0.00 C ATOM 800 C GLU A 52 -3.328 -12.163 11.556 1.00 0.00 C ATOM 801 O GLU A 52 -4.256 -12.687 12.172 1.00 0.00 O ATOM 802 CB GLU A 52 -1.715 -13.780 10.535 1.00 0.00 C ATOM 803 CG GLU A 52 -1.665 -14.923 9.535 1.00 0.00 C ATOM 804 CD GLU A 52 -2.663 -16.020 9.852 1.00 0.00 C ATOM 805 OE1 GLU A 52 -2.436 -16.763 10.830 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.671 -16.135 9.124 1.00 0.00 O ATOM 0 H GLU A 52 -1.336 -11.512 9.453 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.651 -13.267 9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.753 -13.268 10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.861 -14.189 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.862 -14.535 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.660 -15.344 9.521 1.00 0.00 H new ATOM 813 N SER A 53 -2.712 -11.062 11.974 1.00 0.00 N ATOM 814 CA SER A 53 -3.098 -10.394 13.211 1.00 0.00 C ATOM 815 C SER A 53 -4.495 -9.793 13.092 1.00 0.00 C ATOM 816 O SER A 53 -5.343 -9.982 13.966 1.00 0.00 O ATOM 817 CB SER A 53 -2.088 -9.299 13.561 1.00 0.00 C ATOM 818 OG SER A 53 -2.454 -8.062 12.974 1.00 0.00 O ATOM 0 H SER A 53 -1.944 -10.614 11.474 1.00 0.00 H new ATOM 0 HA SER A 53 -3.108 -11.138 14.008 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.028 -9.188 14.644 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.096 -9.590 13.215 1.00 0.00 H new ATOM 0 HG SER A 53 -2.356 -8.120 12.001 1.00 0.00 H new ATOM 824 N LEU A 54 -4.729 -9.068 12.003 1.00 0.00 N ATOM 825 CA LEU A 54 -6.024 -8.438 11.767 1.00 0.00 C ATOM 826 C LEU A 54 -6.968 -9.391 11.040 1.00 0.00 C ATOM 827 O LEU A 54 -8.188 -9.281 11.157 1.00 0.00 O ATOM 828 CB LEU A 54 -5.848 -7.156 10.952 1.00 0.00 C ATOM 829 CG LEU A 54 -4.818 -6.159 11.484 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.447 -5.149 10.409 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.351 -5.451 12.722 1.00 0.00 C ATOM 0 H LEU A 54 -4.039 -8.902 11.270 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.462 -8.189 12.734 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.567 -7.431 9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.813 -6.653 10.890 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.919 -6.709 11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.713 -4.448 10.806 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.023 -5.670 9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.338 -4.604 10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.605 -4.745 13.087 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.265 -4.914 12.469 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.565 -6.186 13.498 1.00 0.00 H new ATOM 843 N GLY A 55 -6.394 -10.327 10.291 1.00 0.00 N ATOM 844 CA GLY A 55 -7.199 -11.287 9.558 1.00 0.00 C ATOM 845 C GLY A 55 -7.456 -10.856 8.127 1.00 0.00 C ATOM 846 O GLY A 55 -8.434 -11.279 7.509 1.00 0.00 O ATOM 0 H GLY A 55 -5.386 -10.438 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.696 -12.254 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.152 -11.424 10.070 1.00 0.00 H new ATOM 850 N LEU A 56 -6.579 -10.009 7.600 1.00 0.00 N ATOM 851 CA LEU A 56 -6.716 -9.518 6.233 1.00 0.00 C ATOM 852 C LEU A 56 -5.976 -10.423 5.253 1.00 0.00 C ATOM 853 O LEU A 56 -5.355 -11.409 5.650 1.00 0.00 O ATOM 854 CB LEU A 56 -6.181 -8.089 6.128 1.00 0.00 C ATOM 855 CG LEU A 56 -6.789 -7.072 7.095 1.00 0.00 C ATOM 856 CD1 LEU A 56 -5.853 -5.888 7.281 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.148 -6.607 6.594 1.00 0.00 C ATOM 0 H LEU A 56 -5.766 -9.648 8.098 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.775 -9.523 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.103 -8.113 6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.344 -7.735 5.110 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.927 -7.555 8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.302 -5.174 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.902 -6.236 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.683 -5.404 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.566 -5.884 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.035 -6.141 5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.818 -7.463 6.513 1.00 0.00 H new ATOM 869 N SER A 57 -6.047 -10.081 3.970 1.00 0.00 N ATOM 870 CA SER A 57 -5.386 -10.863 2.933 1.00 0.00 C ATOM 871 C SER A 57 -4.113 -10.170 2.457 1.00 0.00 C ATOM 872 O SER A 57 -4.112 -8.969 2.188 1.00 0.00 O ATOM 873 CB SER A 57 -6.331 -11.084 1.750 1.00 0.00 C ATOM 874 OG SER A 57 -5.644 -11.643 0.645 1.00 0.00 O ATOM 0 H SER A 57 -6.556 -9.267 3.625 1.00 0.00 H new ATOM 0 HA SER A 57 -5.116 -11.829 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.144 -11.746 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.782 -10.135 1.459 1.00 0.00 H new ATOM 0 HG SER A 57 -6.271 -11.776 -0.097 1.00 0.00 H new ATOM 880 N GLN A 58 -3.031 -10.935 2.358 1.00 0.00 N ATOM 881 CA GLN A 58 -1.751 -10.395 1.916 1.00 0.00 C ATOM 882 C GLN A 58 -1.953 -9.299 0.875 1.00 0.00 C ATOM 883 O GLN A 58 -1.348 -8.229 0.959 1.00 0.00 O ATOM 884 CB GLN A 58 -0.875 -11.508 1.338 1.00 0.00 C ATOM 885 CG GLN A 58 -0.540 -12.600 2.341 1.00 0.00 C ATOM 886 CD GLN A 58 0.110 -13.807 1.693 1.00 0.00 C ATOM 887 OE1 GLN A 58 -0.561 -14.787 1.367 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.422 -13.743 1.504 1.00 0.00 N ATOM 0 H GLN A 58 -3.015 -11.931 2.578 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.250 -9.961 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.385 -11.954 0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.052 -11.073 0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.128 -12.197 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.452 -12.912 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.938 -12.911 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.914 -14.526 1.073 1.00 0.00 H new ATOM 897 N LEU A 59 -2.806 -9.572 -0.106 1.00 0.00 N ATOM 898 CA LEU A 59 -3.088 -8.609 -1.165 1.00 0.00 C ATOM 899 C LEU A 59 -3.447 -7.246 -0.580 1.00 0.00 C ATOM 900 O LEU A 59 -2.845 -6.232 -0.932 1.00 0.00 O ATOM 901 CB LEU A 59 -4.229 -9.113 -2.050 1.00 0.00 C ATOM 902 CG LEU A 59 -4.581 -8.240 -3.255 1.00 0.00 C ATOM 903 CD1 LEU A 59 -3.380 -8.092 -4.176 1.00 0.00 C ATOM 904 CD2 LEU A 59 -5.766 -8.825 -4.010 1.00 0.00 C ATOM 0 H LEU A 59 -3.314 -10.452 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.188 -8.499 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.969 -10.108 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.121 -9.221 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.859 -7.250 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.649 -7.468 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.559 -7.627 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.070 -9.075 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.002 -8.191 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.516 -9.827 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.630 -8.878 -3.347 1.00 0.00 H new ATOM 916 N GLN A 60 -4.429 -7.232 0.315 1.00 0.00 N ATOM 917 CA GLN A 60 -4.867 -5.994 0.949 1.00 0.00 C ATOM 918 C GLN A 60 -3.680 -5.079 1.233 1.00 0.00 C ATOM 919 O GLN A 60 -3.544 -4.016 0.627 1.00 0.00 O ATOM 920 CB GLN A 60 -5.613 -6.299 2.249 1.00 0.00 C ATOM 921 CG GLN A 60 -6.860 -7.146 2.051 1.00 0.00 C ATOM 922 CD GLN A 60 -7.854 -6.997 3.186 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.980 -5.925 3.778 1.00 0.00 O ATOM 924 NE2 GLN A 60 -8.565 -8.074 3.495 1.00 0.00 N ATOM 0 H GLN A 60 -4.936 -8.063 0.618 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.541 -5.482 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.939 -6.815 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.894 -5.360 2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.340 -6.865 1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.572 -8.193 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.427 -8.942 2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.249 -8.034 4.250 1.00 0.00 H new ATOM 933 N VAL A 61 -2.823 -5.499 2.158 1.00 0.00 N ATOM 934 CA VAL A 61 -1.647 -4.718 2.522 1.00 0.00 C ATOM 935 C VAL A 61 -0.871 -4.283 1.283 1.00 0.00 C ATOM 936 O VAL A 61 -0.386 -3.155 1.205 1.00 0.00 O ATOM 937 CB VAL A 61 -0.709 -5.514 3.448 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.508 -4.680 3.821 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.453 -5.972 4.694 1.00 0.00 C ATOM 0 H VAL A 61 -2.921 -6.376 2.669 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.005 -3.835 3.052 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.364 -6.398 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.159 -5.259 4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.052 -4.406 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.185 -3.776 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.775 -6.533 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.829 -5.103 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.289 -6.609 4.405 1.00 0.00 H new ATOM 949 N LYS A 62 -0.759 -5.187 0.315 1.00 0.00 N ATOM 950 CA LYS A 62 -0.044 -4.898 -0.922 1.00 0.00 C ATOM 951 C LYS A 62 -0.678 -3.720 -1.655 1.00 0.00 C ATOM 952 O LYS A 62 -0.035 -2.693 -1.875 1.00 0.00 O ATOM 953 CB LYS A 62 -0.033 -6.130 -1.829 1.00 0.00 C ATOM 954 CG LYS A 62 0.885 -5.993 -3.031 1.00 0.00 C ATOM 955 CD LYS A 62 0.759 -7.184 -3.967 1.00 0.00 C ATOM 956 CE LYS A 62 1.321 -6.871 -5.345 1.00 0.00 C ATOM 957 NZ LYS A 62 2.791 -7.103 -5.411 1.00 0.00 N ATOM 0 H LYS A 62 -1.155 -6.126 0.364 1.00 0.00 H new ATOM 0 HA LYS A 62 0.982 -4.634 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.274 -6.998 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.048 -6.323 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.645 -5.077 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.917 -5.902 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.286 -8.039 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.289 -7.469 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.822 -7.491 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.106 -5.833 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.135 -6.878 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.270 -6.493 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.995 -8.100 -5.195 1.00 0.00 H new ATOM 971 N THR A 63 -1.944 -3.874 -2.029 1.00 0.00 N ATOM 972 CA THR A 63 -2.666 -2.823 -2.736 1.00 0.00 C ATOM 973 C THR A 63 -2.889 -1.610 -1.840 1.00 0.00 C ATOM 974 O THR A 63 -2.426 -0.511 -2.142 1.00 0.00 O ATOM 975 CB THR A 63 -4.028 -3.325 -3.250 1.00 0.00 C ATOM 976 OG1 THR A 63 -3.854 -4.531 -4.002 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.700 -2.273 -4.118 1.00 0.00 C ATOM 0 H THR A 63 -2.491 -4.717 -1.854 1.00 0.00 H new ATOM 0 HA THR A 63 -2.049 -2.534 -3.587 1.00 0.00 H new ATOM 0 HB THR A 63 -4.665 -3.524 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.725 -4.844 -4.324 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.660 -2.650 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.858 -1.366 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.064 -2.047 -4.974 1.00 0.00 H new ATOM 985 N TRP A 64 -3.599 -1.818 -0.738 1.00 0.00 N ATOM 986 CA TRP A 64 -3.882 -0.740 0.203 1.00 0.00 C ATOM 987 C TRP A 64 -2.683 0.190 0.342 1.00 0.00 C ATOM 988 O TRP A 64 -2.820 1.411 0.263 1.00 0.00 O ATOM 989 CB TRP A 64 -4.259 -1.315 1.570 1.00 0.00 C ATOM 990 CG TRP A 64 -4.808 -0.289 2.514 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.067 0.240 2.508 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.115 0.334 3.602 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.199 1.153 3.527 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.015 1.228 4.212 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.822 0.221 4.120 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.662 2.004 5.313 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.473 0.992 5.212 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.389 1.874 5.800 1.00 0.00 C ATOM 0 H TRP A 64 -3.989 -2.722 -0.474 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.722 -0.163 -0.185 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.998 -2.105 1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.379 -1.776 2.018 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.845 -0.021 1.806 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.041 1.688 3.739 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.109 -0.457 3.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.367 2.684 5.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.476 0.913 5.620 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.085 2.462 6.653 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.508 -0.393 0.549 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.284 0.385 0.701 1.00 0.00 C ATOM 1011 C TYR A 65 -0.066 1.298 -0.502 1.00 0.00 C ATOM 1012 O TYR A 65 -0.110 2.521 -0.382 1.00 0.00 O ATOM 1013 CB TYR A 65 0.918 -0.544 0.875 1.00 0.00 C ATOM 1014 CG TYR A 65 1.214 -0.888 2.318 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.232 -1.426 3.140 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.477 -0.675 2.858 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.498 -1.740 4.459 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.752 -0.987 4.175 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.759 -1.519 4.972 1.00 0.00 C ATOM 1020 OH TYR A 65 2.029 -1.832 6.284 1.00 0.00 O ATOM 0 H TYR A 65 -1.377 -1.402 0.615 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.386 1.005 1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.738 -1.465 0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.797 -0.073 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.756 -1.602 2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.256 -0.258 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.277 -2.156 5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.739 -0.816 4.579 1.00 0.00 H new ATOM 0 HH TYR A 65 1.224 -2.198 6.705 1.00 0.00 H new ATOM 1030 N GLN A 66 0.170 0.691 -1.661 1.00 0.00 N ATOM 1031 CA GLN A 66 0.395 1.448 -2.887 1.00 0.00 C ATOM 1032 C GLN A 66 -0.597 2.601 -3.005 1.00 0.00 C ATOM 1033 O GLN A 66 -0.206 3.750 -3.203 1.00 0.00 O ATOM 1034 CB GLN A 66 0.278 0.532 -4.106 1.00 0.00 C ATOM 1035 CG GLN A 66 1.469 -0.395 -4.288 1.00 0.00 C ATOM 1036 CD GLN A 66 1.383 -1.214 -5.560 1.00 0.00 C ATOM 1037 OE1 GLN A 66 0.293 -1.474 -6.072 1.00 0.00 O ATOM 1038 NE2 GLN A 66 2.534 -1.626 -6.079 1.00 0.00 N ATOM 0 H GLN A 66 0.210 -0.322 -1.777 1.00 0.00 H new ATOM 0 HA GLN A 66 1.402 1.862 -2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.628 -0.068 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.165 1.144 -5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.385 0.196 -4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.536 -1.067 -3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.414 -1.388 -5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.538 -2.181 -6.935 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.882 2.284 -2.883 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.930 3.294 -2.977 1.00 0.00 C ATOM 1049 C ASN A 67 -2.706 4.407 -1.958 1.00 0.00 C ATOM 1050 O ASN A 67 -2.823 5.590 -2.279 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.303 2.655 -2.758 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.675 1.690 -3.867 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.109 1.734 -4.959 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.631 0.811 -3.590 1.00 0.00 N ATOM 0 H ASN A 67 -2.222 1.337 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.894 3.728 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.307 2.127 -1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.059 3.438 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.923 0.136 -4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.073 0.811 -2.671 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.383 4.020 -0.728 1.00 0.00 N ATOM 1062 CA ARG A 68 -2.143 4.985 0.338 1.00 0.00 C ATOM 1063 C ARG A 68 -1.024 5.950 -0.043 1.00 0.00 C ATOM 1064 O ARG A 68 -1.087 7.141 0.262 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.786 4.262 1.638 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.995 3.738 2.396 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.746 4.862 3.092 1.00 0.00 C ATOM 1068 NE ARG A 68 -4.638 5.572 2.179 1.00 0.00 N ATOM 1069 CZ ARG A 68 -5.783 5.068 1.731 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -6.173 3.859 2.110 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -6.541 5.775 0.903 1.00 0.00 N ATOM 0 H ARG A 68 -2.282 3.045 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.058 5.558 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.122 3.428 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.231 4.944 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.664 3.225 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.673 3.003 3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.325 4.453 3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.031 5.565 3.520 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.367 6.505 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.594 3.313 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.052 3.475 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.245 6.706 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.420 5.388 0.559 1.00 0.00 H new