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= -0.213 USER MOD Single : A 28 GLN : amide:sc= -4.53! C(o=-4.5!,f=-8.3!) USER MOD Single : A 30 MET CE :methyl 178:sc= 0 (180deg=-0.00444) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -4.51! C(o=-4.5!,f=-8.8!) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.337) 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 66:sc= 0.267 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.64! C(o=-2.6!,f=-8.1!) USER MOD Single : A 60 GLN : amide:sc= -8.18! C(o=-8.2!,f=-7.7!) 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= -1.86 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 67 ASN : amide:sc= -3.29! K(o=-3.3!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.959 -1.666 4.920 1.00 0.00 N ATOM 320 CA PHE A 24 -12.134 -1.979 6.080 1.00 0.00 C ATOM 321 C PHE A 24 -12.794 -1.489 7.366 1.00 0.00 C ATOM 322 O PHE A 24 -13.352 -0.393 7.412 1.00 0.00 O ATOM 323 CB PHE A 24 -10.748 -1.348 5.932 1.00 0.00 C ATOM 324 CG PHE A 24 -9.866 -2.062 4.948 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.178 -3.207 5.318 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.725 -1.590 3.654 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.365 -3.865 4.415 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.914 -2.244 2.746 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.234 -3.384 3.126 1.00 0.00 C ATOM 0 HA PHE A 24 -12.028 -3.062 6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.862 -0.310 5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.257 -1.336 6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.278 -3.589 6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.255 -0.700 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.832 -4.755 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.812 -1.864 1.740 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.601 -3.898 2.418 1.00 0.00 H new ATOM 339 N THR A 25 -12.726 -2.310 8.409 1.00 0.00 N ATOM 340 CA THR A 25 -13.317 -1.962 9.695 1.00 0.00 C ATOM 341 C THR A 25 -12.374 -1.090 10.516 1.00 0.00 C ATOM 342 O THR A 25 -11.156 -1.255 10.461 1.00 0.00 O ATOM 343 CB THR A 25 -13.673 -3.221 10.509 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.478 -3.911 10.892 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.565 -4.153 9.702 1.00 0.00 C ATOM 0 H THR A 25 -12.267 -3.221 8.388 1.00 0.00 H new ATOM 0 HA THR A 25 -14.230 -1.405 9.483 1.00 0.00 H new ATOM 0 HB THR A 25 -14.214 -2.908 11.402 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.713 -4.709 11.410 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.803 -5.035 10.297 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.486 -3.635 9.436 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.045 -4.458 8.794 1.00 0.00 H new ATOM 353 N GLU A 26 -12.946 -0.163 11.278 1.00 0.00 N ATOM 354 CA GLU A 26 -12.154 0.736 12.110 1.00 0.00 C ATOM 355 C GLU A 26 -10.983 -0.005 12.749 1.00 0.00 C ATOM 356 O GLU A 26 -9.891 0.545 12.894 1.00 0.00 O ATOM 357 CB GLU A 26 -13.029 1.362 13.198 1.00 0.00 C ATOM 358 CG GLU A 26 -14.052 2.350 12.662 1.00 0.00 C ATOM 359 CD GLU A 26 -15.049 2.787 13.717 1.00 0.00 C ATOM 360 OE1 GLU A 26 -14.611 3.264 14.785 1.00 0.00 O ATOM 361 OE2 GLU A 26 -16.267 2.652 13.476 1.00 0.00 O ATOM 0 H GLU A 26 -13.953 -0.015 11.337 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.758 1.526 11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.549 0.569 13.735 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.389 1.870 13.920 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.535 3.226 12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.587 1.897 11.828 1.00 0.00 H new ATOM 368 N LEU A 27 -11.218 -1.256 13.128 1.00 0.00 N ATOM 369 CA LEU A 27 -10.184 -2.074 13.752 1.00 0.00 C ATOM 370 C LEU A 27 -9.074 -2.400 12.757 1.00 0.00 C ATOM 371 O LEU A 27 -7.894 -2.197 13.042 1.00 0.00 O ATOM 372 CB LEU A 27 -10.790 -3.368 14.299 1.00 0.00 C ATOM 373 CG LEU A 27 -10.012 -4.048 15.427 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.367 -3.429 16.769 1.00 0.00 C ATOM 375 CD2 LEU A 27 -10.289 -5.545 15.438 1.00 0.00 C ATOM 0 H LEU A 27 -12.116 -1.726 13.014 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.753 -1.505 14.576 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.796 -3.151 14.658 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.890 -4.075 13.476 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.947 -3.896 15.251 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.804 -3.926 17.559 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.118 -2.368 16.758 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.434 -3.549 16.954 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.728 -6.013 16.247 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.355 -5.717 15.589 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.983 -5.979 14.486 1.00 0.00 H new ATOM 387 N GLN A 28 -9.462 -2.904 11.590 1.00 0.00 N ATOM 388 CA GLN A 28 -8.499 -3.256 10.554 1.00 0.00 C ATOM 389 C GLN A 28 -7.684 -2.038 10.130 1.00 0.00 C ATOM 390 O GLN A 28 -6.459 -2.105 10.020 1.00 0.00 O ATOM 391 CB GLN A 28 -9.218 -3.850 9.341 1.00 0.00 C ATOM 392 CG GLN A 28 -9.862 -5.199 9.616 1.00 0.00 C ATOM 393 CD GLN A 28 -10.747 -5.666 8.477 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.233 -4.861 7.683 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.962 -6.974 8.392 1.00 0.00 N ATOM 0 H GLN A 28 -10.435 -3.077 11.339 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.818 -4.001 10.965 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.985 -3.152 9.006 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.505 -3.957 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.083 -5.940 9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.454 -5.135 10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.539 -7.606 9.072 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.550 -7.347 7.647 1.00 0.00 H new ATOM 404 N LEU A 29 -8.372 -0.926 9.894 1.00 0.00 N ATOM 405 CA LEU A 29 -7.712 0.308 9.483 1.00 0.00 C ATOM 406 C LEU A 29 -6.698 0.758 10.529 1.00 0.00 C ATOM 407 O LEU A 29 -5.597 1.194 10.193 1.00 0.00 O ATOM 408 CB LEU A 29 -8.747 1.410 9.252 1.00 0.00 C ATOM 409 CG LEU A 29 -9.577 1.295 7.973 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.615 2.404 7.908 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.675 1.335 6.747 1.00 0.00 C ATOM 0 H LEU A 29 -9.386 -0.854 9.980 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.182 0.114 8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.428 1.425 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.230 2.370 9.241 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.098 0.338 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.196 2.305 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.280 2.331 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.114 3.372 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.282 1.252 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.126 2.277 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.970 0.505 6.787 1.00 0.00 H new ATOM 423 N MET A 30 -7.076 0.648 11.798 1.00 0.00 N ATOM 424 CA MET A 30 -6.197 1.041 12.894 1.00 0.00 C ATOM 425 C MET A 30 -4.826 0.387 12.752 1.00 0.00 C ATOM 426 O MET A 30 -3.797 1.035 12.938 1.00 0.00 O ATOM 427 CB MET A 30 -6.821 0.659 14.238 1.00 0.00 C ATOM 428 CG MET A 30 -5.916 0.937 15.428 1.00 0.00 C ATOM 429 SD MET A 30 -6.836 1.151 16.964 1.00 0.00 S ATOM 430 CE MET A 30 -7.504 -0.495 17.191 1.00 0.00 C ATOM 0 H MET A 30 -7.984 0.290 12.093 1.00 0.00 H new ATOM 0 HA MET A 30 -6.070 2.123 12.855 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.754 1.208 14.365 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.074 -0.401 14.224 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.210 0.114 15.543 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.330 1.835 15.232 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.070 -0.533 18.122 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.161 -0.739 16.356 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.688 -1.216 17.234 1.00 0.00 H new ATOM 440 N GLY A 31 -4.820 -0.901 12.422 1.00 0.00 N ATOM 441 CA GLY A 31 -3.570 -1.620 12.262 1.00 0.00 C ATOM 442 C GLY A 31 -2.857 -1.264 10.972 1.00 0.00 C ATOM 443 O GLY A 31 -1.688 -0.876 10.987 1.00 0.00 O ATOM 0 H GLY A 31 -5.659 -1.459 12.263 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.917 -1.400 13.107 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.766 -2.692 12.281 1.00 0.00 H new ATOM 447 N LEU A 32 -3.561 -1.396 9.853 1.00 0.00 N ATOM 448 CA LEU A 32 -2.987 -1.086 8.548 1.00 0.00 C ATOM 449 C LEU A 32 -2.306 0.278 8.563 1.00 0.00 C ATOM 450 O LEU A 32 -1.195 0.433 8.057 1.00 0.00 O ATOM 451 CB LEU A 32 -4.074 -1.114 7.472 1.00 0.00 C ATOM 452 CG LEU A 32 -4.451 -2.496 6.935 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.630 -2.394 5.979 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.259 -3.144 6.247 1.00 0.00 C ATOM 0 H LEU A 32 -4.529 -1.715 9.823 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.237 -1.843 8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.971 -0.647 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.745 -0.498 6.635 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.745 -3.124 7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.884 -3.387 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.488 -1.972 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.364 -1.750 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.546 -4.126 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.934 -2.518 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.442 -3.253 6.960 1.00 0.00 H new ATOM 466 N GLU A 33 -2.979 1.265 9.147 1.00 0.00 N ATOM 467 CA GLU A 33 -2.437 2.616 9.228 1.00 0.00 C ATOM 468 C GLU A 33 -1.227 2.661 10.157 1.00 0.00 C ATOM 469 O GLU A 33 -0.233 3.328 9.868 1.00 0.00 O ATOM 470 CB GLU A 33 -3.509 3.590 9.721 1.00 0.00 C ATOM 471 CG GLU A 33 -4.640 3.803 8.729 1.00 0.00 C ATOM 472 CD GLU A 33 -5.678 4.788 9.231 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.285 5.825 9.805 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.885 4.521 9.050 1.00 0.00 O ATOM 0 H GLU A 33 -3.900 1.154 9.571 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.118 2.913 8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.924 3.217 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.042 4.551 9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.228 4.163 7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.122 2.847 8.522 1.00 0.00 H new ATOM 481 N LYS A 34 -1.318 1.947 11.274 1.00 0.00 N ATOM 482 CA LYS A 34 -0.232 1.904 12.246 1.00 0.00 C ATOM 483 C LYS A 34 1.046 1.369 11.610 1.00 0.00 C ATOM 484 O LYS A 34 2.119 1.954 11.761 1.00 0.00 O ATOM 485 CB LYS A 34 -0.624 1.032 13.440 1.00 0.00 C ATOM 486 CG LYS A 34 0.050 1.439 14.739 1.00 0.00 C ATOM 487 CD LYS A 34 -0.524 2.737 15.282 1.00 0.00 C ATOM 488 CE LYS A 34 -0.137 2.952 16.737 1.00 0.00 C ATOM 489 NZ LYS A 34 -1.082 2.276 17.668 1.00 0.00 N ATOM 0 H LYS A 34 -2.134 1.390 11.529 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.046 2.921 12.592 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.705 1.077 13.572 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.372 -0.005 13.220 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.075 0.648 15.478 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.121 1.555 14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.166 3.574 14.682 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.610 2.722 15.192 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.871 2.573 16.904 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.116 4.020 16.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.784 2.446 18.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.040 2.655 17.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.083 1.253 17.479 1.00 0.00 H new ATOM 503 N ARG A 35 0.925 0.254 10.896 1.00 0.00 N ATOM 504 CA ARG A 35 2.072 -0.360 10.237 1.00 0.00 C ATOM 505 C ARG A 35 2.599 0.535 9.119 1.00 0.00 C ATOM 506 O ARG A 35 3.791 0.838 9.062 1.00 0.00 O ATOM 507 CB ARG A 35 1.689 -1.729 9.671 1.00 0.00 C ATOM 508 CG ARG A 35 1.910 -2.874 10.646 1.00 0.00 C ATOM 509 CD ARG A 35 3.319 -2.856 11.216 1.00 0.00 C ATOM 510 NE ARG A 35 3.752 -4.182 11.647 1.00 0.00 N ATOM 511 CZ ARG A 35 5.011 -4.482 11.950 1.00 0.00 C ATOM 512 NH1 ARG A 35 5.954 -3.554 11.870 1.00 0.00 N ATOM 513 NH2 ARG A 35 5.327 -5.712 12.335 1.00 0.00 N ATOM 0 H ARG A 35 0.044 -0.242 10.759 1.00 0.00 H new ATOM 0 HA ARG A 35 2.860 -0.489 10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.640 -1.711 9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.270 -1.915 8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.187 -2.806 11.459 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.733 -3.823 10.140 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.010 -2.476 10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.359 -2.169 12.061 1.00 0.00 H new ATOM 0 HE ARG A 35 3.050 -4.918 11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.714 -2.607 11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.919 -3.787 12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.604 -6.428 12.399 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.293 -5.941 12.567 1.00 0.00 H new ATOM 527 N PHE A 36 1.703 0.955 8.232 1.00 0.00 N ATOM 528 CA PHE A 36 2.078 1.814 7.114 1.00 0.00 C ATOM 529 C PHE A 36 2.767 3.082 7.610 1.00 0.00 C ATOM 530 O PHE A 36 3.887 3.390 7.206 1.00 0.00 O ATOM 531 CB PHE A 36 0.844 2.180 6.288 1.00 0.00 C ATOM 532 CG PHE A 36 1.165 2.953 5.041 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.716 4.222 5.119 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.916 2.411 3.791 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.012 4.936 3.973 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.210 3.120 2.641 1.00 0.00 C ATOM 537 CZ PHE A 36 1.759 4.384 2.733 1.00 0.00 C ATOM 0 H PHE A 36 0.712 0.715 8.265 1.00 0.00 H new ATOM 0 HA PHE A 36 2.777 1.264 6.484 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.316 1.267 6.014 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.165 2.768 6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.917 4.658 6.086 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.487 1.423 3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.441 5.924 4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.011 2.686 1.672 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.990 4.940 1.836 1.00 0.00 H new ATOM 547 N GLU A 37 2.087 3.813 8.488 1.00 0.00 N ATOM 548 CA GLU A 37 2.632 5.048 9.039 1.00 0.00 C ATOM 549 C GLU A 37 4.052 4.834 9.554 1.00 0.00 C ATOM 550 O GLU A 37 4.880 5.745 9.525 1.00 0.00 O ATOM 551 CB GLU A 37 1.740 5.566 10.169 1.00 0.00 C ATOM 552 CG GLU A 37 1.873 4.776 11.460 1.00 0.00 C ATOM 553 CD GLU A 37 1.524 5.598 12.685 1.00 0.00 C ATOM 554 OE1 GLU A 37 0.397 6.133 12.741 1.00 0.00 O ATOM 555 OE2 GLU A 37 2.379 5.705 13.590 1.00 0.00 O ATOM 0 H GLU A 37 1.158 3.571 8.833 1.00 0.00 H new ATOM 0 HA GLU A 37 2.662 5.790 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.985 6.610 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.701 5.539 9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.223 3.903 11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.895 4.408 11.553 1.00 0.00 H new ATOM 562 N LYS A 38 4.328 3.623 10.026 1.00 0.00 N ATOM 563 CA LYS A 38 5.647 3.286 10.547 1.00 0.00 C ATOM 564 C LYS A 38 6.606 2.932 9.415 1.00 0.00 C ATOM 565 O LYS A 38 7.774 3.319 9.437 1.00 0.00 O ATOM 566 CB LYS A 38 5.546 2.116 11.529 1.00 0.00 C ATOM 567 CG LYS A 38 4.896 2.485 12.851 1.00 0.00 C ATOM 568 CD LYS A 38 5.893 3.123 13.804 1.00 0.00 C ATOM 569 CE LYS A 38 5.225 3.558 15.099 1.00 0.00 C ATOM 570 NZ LYS A 38 6.210 4.095 16.078 1.00 0.00 N ATOM 0 H LYS A 38 3.654 2.858 10.058 1.00 0.00 H new ATOM 0 HA LYS A 38 6.037 4.159 11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.975 1.312 11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.546 1.727 11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.071 3.174 12.672 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.472 1.592 13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.691 2.415 14.025 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.356 3.985 13.324 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.476 4.319 14.883 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.700 2.710 15.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.715 4.380 16.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.911 3.360 16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.693 4.920 15.668 1.00 0.00 H new ATOM 584 N GLN A 39 6.104 2.198 8.428 1.00 0.00 N ATOM 585 CA GLN A 39 6.917 1.794 7.287 1.00 0.00 C ATOM 586 C GLN A 39 6.117 1.878 5.991 1.00 0.00 C ATOM 587 O GLN A 39 5.040 1.293 5.874 1.00 0.00 O ATOM 588 CB GLN A 39 7.440 0.370 7.485 1.00 0.00 C ATOM 589 CG GLN A 39 6.435 -0.561 8.143 1.00 0.00 C ATOM 590 CD GLN A 39 7.099 -1.672 8.933 1.00 0.00 C ATOM 591 OE1 GLN A 39 6.676 -1.998 10.043 1.00 0.00 O ATOM 592 NE2 GLN A 39 8.144 -2.260 8.364 1.00 0.00 N ATOM 0 H GLN A 39 5.138 1.871 8.395 1.00 0.00 H new ATOM 0 HA GLN A 39 7.763 2.478 7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.724 -0.042 6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.343 0.405 8.094 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.791 0.016 8.806 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.794 -0.998 7.377 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.460 -1.958 7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.631 -3.014 8.848 1.00 0.00 H new ATOM 601 N LYS A 40 6.649 2.611 5.020 1.00 0.00 N ATOM 602 CA LYS A 40 5.987 2.773 3.731 1.00 0.00 C ATOM 603 C LYS A 40 5.803 1.425 3.041 1.00 0.00 C ATOM 604 O LYS A 40 5.036 1.305 2.085 1.00 0.00 O ATOM 605 CB LYS A 40 6.795 3.712 2.833 1.00 0.00 C ATOM 606 CG LYS A 40 7.008 5.092 3.431 1.00 0.00 C ATOM 607 CD LYS A 40 5.815 5.999 3.182 1.00 0.00 C ATOM 608 CE LYS A 40 5.758 7.135 4.191 1.00 0.00 C ATOM 609 NZ LYS A 40 4.363 7.598 4.427 1.00 0.00 N ATOM 0 H LYS A 40 7.539 3.103 5.101 1.00 0.00 H new ATOM 0 HA LYS A 40 5.003 3.208 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.766 3.260 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.284 3.815 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.180 5.002 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.903 5.541 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.873 6.409 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.896 5.416 3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.196 6.806 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.362 7.969 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.380 8.526 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.865 7.678 3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.868 6.913 5.033 1.00 0.00 H new ATOM 623 N TYR A 41 6.511 0.413 3.532 1.00 0.00 N ATOM 624 CA TYR A 41 6.426 -0.926 2.961 1.00 0.00 C ATOM 625 C TYR A 41 6.659 -1.989 4.030 1.00 0.00 C ATOM 626 O TYR A 41 6.838 -1.674 5.208 1.00 0.00 O ATOM 627 CB TYR A 41 7.447 -1.088 1.834 1.00 0.00 C ATOM 628 CG TYR A 41 7.012 -0.463 0.528 1.00 0.00 C ATOM 629 CD1 TYR A 41 6.197 -1.156 -0.359 1.00 0.00 C ATOM 630 CD2 TYR A 41 7.416 0.820 0.180 1.00 0.00 C ATOM 631 CE1 TYR A 41 5.797 -0.589 -1.554 1.00 0.00 C ATOM 632 CE2 TYR A 41 7.020 1.396 -1.012 1.00 0.00 C ATOM 633 CZ TYR A 41 6.211 0.687 -1.875 1.00 0.00 C ATOM 634 OH TYR A 41 5.815 1.256 -3.064 1.00 0.00 O ATOM 0 H TYR A 41 7.149 0.495 4.323 1.00 0.00 H new ATOM 0 HA TYR A 41 5.423 -1.058 2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.392 -0.641 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.634 -2.150 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.871 -2.155 -0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.051 1.377 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.164 -1.142 -2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.342 2.395 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 41 6.192 2.158 -3.137 1.00 0.00 H new ATOM 644 N LEU A 42 6.656 -3.250 3.612 1.00 0.00 N ATOM 645 CA LEU A 42 6.867 -4.362 4.532 1.00 0.00 C ATOM 646 C LEU A 42 7.508 -5.547 3.816 1.00 0.00 C ATOM 647 O LEU A 42 7.228 -5.802 2.645 1.00 0.00 O ATOM 648 CB LEU A 42 5.540 -4.789 5.161 1.00 0.00 C ATOM 649 CG LEU A 42 4.733 -3.682 5.840 1.00 0.00 C ATOM 650 CD1 LEU A 42 3.261 -4.059 5.906 1.00 0.00 C ATOM 651 CD2 LEU A 42 5.276 -3.404 7.234 1.00 0.00 C ATOM 0 H LEU A 42 6.510 -3.528 2.642 1.00 0.00 H new ATOM 0 HA LEU A 42 7.543 -4.027 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.921 -5.239 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.743 -5.567 5.897 1.00 0.00 H new ATOM 0 HG LEU A 42 4.829 -2.773 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.702 -3.260 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.878 -4.207 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.147 -4.981 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.689 -2.613 7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.211 -4.310 7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.317 -3.090 7.163 1.00 0.00 H new ATOM 663 N SER A 43 8.368 -6.268 4.529 1.00 0.00 N ATOM 664 CA SER A 43 9.050 -7.425 3.961 1.00 0.00 C ATOM 665 C SER A 43 8.044 -8.463 3.474 1.00 0.00 C ATOM 666 O SER A 43 6.834 -8.233 3.498 1.00 0.00 O ATOM 667 CB SER A 43 9.985 -8.051 4.997 1.00 0.00 C ATOM 668 OG SER A 43 10.970 -7.125 5.421 1.00 0.00 O ATOM 0 H SER A 43 8.609 -6.071 5.500 1.00 0.00 H new ATOM 0 HA SER A 43 9.639 -7.087 3.108 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.406 -8.390 5.856 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.468 -8.931 4.571 1.00 0.00 H new ATOM 0 HG SER A 43 11.554 -7.549 6.084 1.00 0.00 H new ATOM 674 N THR A 44 8.553 -9.609 3.031 1.00 0.00 N ATOM 675 CA THR A 44 7.701 -10.683 2.536 1.00 0.00 C ATOM 676 C THR A 44 6.876 -11.294 3.664 1.00 0.00 C ATOM 677 O THR A 44 5.645 -11.310 3.626 1.00 0.00 O ATOM 678 CB THR A 44 8.530 -11.793 1.863 1.00 0.00 C ATOM 679 OG1 THR A 44 8.663 -11.524 0.463 1.00 0.00 O ATOM 680 CG2 THR A 44 7.878 -13.152 2.063 1.00 0.00 C ATOM 0 H THR A 44 9.551 -9.817 3.005 1.00 0.00 H new ATOM 0 HA THR A 44 7.032 -10.241 1.798 1.00 0.00 H new ATOM 0 HB THR A 44 9.517 -11.810 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.193 -12.233 0.043 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.481 -13.920 1.579 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.804 -13.367 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.880 -13.145 1.625 1.00 0.00 H new ATOM 688 N PRO A 45 7.567 -11.808 4.691 1.00 0.00 N ATOM 689 CA PRO A 45 6.917 -12.429 5.850 1.00 0.00 C ATOM 690 C PRO A 45 6.190 -11.410 6.721 1.00 0.00 C ATOM 691 O PRO A 45 5.377 -11.774 7.571 1.00 0.00 O ATOM 692 CB PRO A 45 8.085 -13.054 6.619 1.00 0.00 C ATOM 693 CG PRO A 45 9.273 -12.245 6.226 1.00 0.00 C ATOM 694 CD PRO A 45 9.035 -11.824 4.802 1.00 0.00 C ATOM 0 HA PRO A 45 6.152 -13.146 5.553 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.917 -13.014 7.695 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.216 -14.104 6.356 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.386 -11.377 6.876 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.189 -12.830 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.464 -10.843 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.484 -12.523 4.096 1.00 0.00 H new ATOM 702 N ASP A 46 6.488 -10.134 6.505 1.00 0.00 N ATOM 703 CA ASP A 46 5.862 -9.062 7.270 1.00 0.00 C ATOM 704 C ASP A 46 4.387 -8.923 6.904 1.00 0.00 C ATOM 705 O ASP A 46 3.512 -9.013 7.765 1.00 0.00 O ATOM 706 CB ASP A 46 6.588 -7.739 7.024 1.00 0.00 C ATOM 707 CG ASP A 46 6.113 -6.637 7.951 1.00 0.00 C ATOM 708 OD1 ASP A 46 4.899 -6.586 8.240 1.00 0.00 O ATOM 709 OD2 ASP A 46 6.956 -5.825 8.388 1.00 0.00 O ATOM 0 H ASP A 46 7.160 -9.816 5.806 1.00 0.00 H new ATOM 0 HA ASP A 46 5.933 -9.315 8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.660 -7.886 7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.435 -7.431 5.990 1.00 0.00 H new ATOM 714 N ARG A 47 4.120 -8.703 5.621 1.00 0.00 N ATOM 715 CA ARG A 47 2.752 -8.550 5.141 1.00 0.00 C ATOM 716 C ARG A 47 1.877 -9.707 5.612 1.00 0.00 C ATOM 717 O ARG A 47 0.725 -9.510 6.000 1.00 0.00 O ATOM 718 CB ARG A 47 2.731 -8.470 3.613 1.00 0.00 C ATOM 719 CG ARG A 47 1.434 -7.912 3.050 1.00 0.00 C ATOM 720 CD ARG A 47 1.512 -7.733 1.542 1.00 0.00 C ATOM 721 NE ARG A 47 1.681 -9.007 0.848 1.00 0.00 N ATOM 722 CZ ARG A 47 2.108 -9.110 -0.406 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.409 -8.020 -1.099 1.00 0.00 N ATOM 724 NH2 ARG A 47 2.235 -10.304 -0.969 1.00 0.00 N ATOM 0 H ARG A 47 4.833 -8.627 4.895 1.00 0.00 H new ATOM 0 HA ARG A 47 2.351 -7.624 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.560 -7.846 3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.896 -9.466 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.611 -8.583 3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.215 -6.953 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.604 -7.245 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.345 -7.074 1.298 1.00 0.00 H new ATOM 0 HE ARG A 47 1.459 -9.865 1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.313 -7.100 -0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.737 -8.102 -2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.005 -11.145 -0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.563 -10.382 -1.932 1.00 0.00 H new ATOM 738 N ILE A 48 2.432 -10.914 5.576 1.00 0.00 N ATOM 739 CA ILE A 48 1.702 -12.103 6.000 1.00 0.00 C ATOM 740 C ILE A 48 1.454 -12.088 7.505 1.00 0.00 C ATOM 741 O ILE A 48 0.314 -12.185 7.957 1.00 0.00 O ATOM 742 CB ILE A 48 2.460 -13.391 5.629 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.800 -13.397 4.137 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.634 -14.615 5.995 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.884 -14.385 3.768 1.00 0.00 C ATOM 0 H ILE A 48 3.384 -11.094 5.258 1.00 0.00 H new ATOM 0 HA ILE A 48 0.746 -12.090 5.476 1.00 0.00 H new ATOM 0 HB ILE A 48 3.391 -13.423 6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.899 -13.629 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.115 -12.397 3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.183 -15.518 5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.438 -14.614 7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.688 -14.591 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.073 -14.334 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.798 -14.141 4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.563 -15.393 4.033 1.00 0.00 H new ATOM 757 N ASP A 49 2.530 -11.964 8.275 1.00 0.00 N ATOM 758 CA ASP A 49 2.429 -11.933 9.729 1.00 0.00 C ATOM 759 C ASP A 49 1.352 -10.951 10.179 1.00 0.00 C ATOM 760 O ASP A 49 0.495 -11.285 10.999 1.00 0.00 O ATOM 761 CB ASP A 49 3.775 -11.550 10.347 1.00 0.00 C ATOM 762 CG ASP A 49 3.947 -12.100 11.749 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.538 -13.256 11.986 1.00 0.00 O ATOM 764 OD2 ASP A 49 4.488 -11.374 12.609 1.00 0.00 O ATOM 0 H ASP A 49 3.481 -11.883 7.916 1.00 0.00 H new ATOM 0 HA ASP A 49 2.151 -12.930 10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.581 -11.921 9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.864 -10.464 10.373 1.00 0.00 H new ATOM 769 N LEU A 50 1.401 -9.738 9.638 1.00 0.00 N ATOM 770 CA LEU A 50 0.429 -8.707 9.984 1.00 0.00 C ATOM 771 C LEU A 50 -0.970 -9.098 9.520 1.00 0.00 C ATOM 772 O LEU A 50 -1.872 -9.294 10.333 1.00 0.00 O ATOM 773 CB LEU A 50 0.831 -7.370 9.359 1.00 0.00 C ATOM 774 CG LEU A 50 -0.260 -6.300 9.301 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.379 -5.586 10.639 1.00 0.00 C ATOM 776 CD2 LEU A 50 0.027 -5.305 8.187 1.00 0.00 C ATOM 0 H LEU A 50 2.103 -9.445 8.959 1.00 0.00 H new ATOM 0 HA LEU A 50 0.416 -8.605 11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.675 -6.969 9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.182 -7.557 8.344 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.210 -6.789 9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.160 -4.828 10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.633 -6.308 11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.571 -5.110 10.883 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.760 -4.551 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.987 -4.822 8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.060 -5.828 7.231 1.00 0.00 H new ATOM 788 N ALA A 51 -1.141 -9.212 8.207 1.00 0.00 N ATOM 789 CA ALA A 51 -2.429 -9.585 7.634 1.00 0.00 C ATOM 790 C ALA A 51 -3.111 -10.662 8.471 1.00 0.00 C ATOM 791 O ALA A 51 -4.338 -10.727 8.533 1.00 0.00 O ATOM 792 CB ALA A 51 -2.250 -10.062 6.200 1.00 0.00 C ATOM 0 H ALA A 51 -0.404 -9.052 7.520 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.069 -8.702 7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.219 -10.337 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.813 -9.262 5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.589 -10.929 6.185 1.00 0.00 H new ATOM 798 N GLU A 52 -2.307 -11.504 9.113 1.00 0.00 N ATOM 799 CA GLU A 52 -2.835 -12.579 9.945 1.00 0.00 C ATOM 800 C GLU A 52 -3.319 -12.040 11.288 1.00 0.00 C ATOM 801 O GLU A 52 -4.374 -12.434 11.783 1.00 0.00 O ATOM 802 CB GLU A 52 -1.767 -13.652 10.168 1.00 0.00 C ATOM 803 CG GLU A 52 -1.767 -14.740 9.108 1.00 0.00 C ATOM 804 CD GLU A 52 -2.815 -15.806 9.365 1.00 0.00 C ATOM 805 OE1 GLU A 52 -2.664 -16.560 10.349 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.785 -15.886 8.583 1.00 0.00 O ATOM 0 H GLU A 52 -1.289 -11.462 9.073 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.683 -13.024 9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.786 -13.177 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.921 -14.109 11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.944 -14.290 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.782 -15.206 9.071 1.00 0.00 H new ATOM 813 N SER A 53 -2.539 -11.135 11.872 1.00 0.00 N ATOM 814 CA SER A 53 -2.885 -10.545 13.159 1.00 0.00 C ATOM 815 C SER A 53 -4.230 -9.827 13.084 1.00 0.00 C ATOM 816 O SER A 53 -5.089 -10.002 13.949 1.00 0.00 O ATOM 817 CB SER A 53 -1.796 -9.566 13.604 1.00 0.00 C ATOM 818 OG SER A 53 -0.539 -10.212 13.703 1.00 0.00 O ATOM 0 H SER A 53 -1.664 -10.795 11.474 1.00 0.00 H new ATOM 0 HA SER A 53 -2.962 -11.349 13.891 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.730 -8.743 12.893 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.063 -9.134 14.568 1.00 0.00 H new ATOM 0 HG SER A 53 -0.250 -10.503 12.813 1.00 0.00 H new ATOM 824 N LEU A 54 -4.405 -9.020 12.044 1.00 0.00 N ATOM 825 CA LEU A 54 -5.645 -8.275 11.854 1.00 0.00 C ATOM 826 C LEU A 54 -6.701 -9.140 11.174 1.00 0.00 C ATOM 827 O LEU A 54 -7.896 -8.859 11.257 1.00 0.00 O ATOM 828 CB LEU A 54 -5.385 -7.019 11.021 1.00 0.00 C ATOM 829 CG LEU A 54 -4.380 -6.024 11.602 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.050 -4.943 10.585 1.00 0.00 C ATOM 831 CD2 LEU A 54 -4.922 -5.405 12.883 1.00 0.00 C ATOM 0 H LEU A 54 -3.704 -8.865 11.319 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.018 -7.982 12.835 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.033 -7.327 10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.333 -6.502 10.874 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.463 -6.562 11.841 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.333 -4.244 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.619 -5.401 9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.960 -4.408 10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.194 -4.699 13.283 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.854 -4.882 12.668 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.107 -6.190 13.616 1.00 0.00 H new ATOM 843 N GLY A 55 -6.252 -10.197 10.503 1.00 0.00 N ATOM 844 CA GLY A 55 -7.171 -11.088 9.821 1.00 0.00 C ATOM 845 C GLY A 55 -7.377 -10.708 8.368 1.00 0.00 C ATOM 846 O GLY A 55 -8.268 -11.235 7.701 1.00 0.00 O ATOM 0 H GLY A 55 -5.268 -10.451 10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.791 -12.108 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.132 -11.077 10.336 1.00 0.00 H new ATOM 850 N LEU A 56 -6.553 -9.789 7.876 1.00 0.00 N ATOM 851 CA LEU A 56 -6.650 -9.337 6.493 1.00 0.00 C ATOM 852 C LEU A 56 -5.804 -10.212 5.573 1.00 0.00 C ATOM 853 O LEU A 56 -5.087 -11.100 6.033 1.00 0.00 O ATOM 854 CB LEU A 56 -6.204 -7.878 6.380 1.00 0.00 C ATOM 855 CG LEU A 56 -7.009 -6.865 7.194 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.382 -5.483 7.098 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.455 -6.830 6.722 1.00 0.00 C ATOM 0 H LEU A 56 -5.811 -9.343 8.414 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.692 -9.417 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.160 -7.813 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.246 -7.586 5.331 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.996 -7.175 8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.969 -4.776 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.364 -5.518 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.363 -5.164 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.013 -6.103 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.488 -6.545 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.902 -7.817 6.844 1.00 0.00 H new ATOM 869 N SER A 57 -5.892 -9.953 4.273 1.00 0.00 N ATOM 870 CA SER A 57 -5.136 -10.718 3.288 1.00 0.00 C ATOM 871 C SER A 57 -4.010 -9.877 2.695 1.00 0.00 C ATOM 872 O SER A 57 -4.172 -8.680 2.462 1.00 0.00 O ATOM 873 CB SER A 57 -6.061 -11.211 2.174 1.00 0.00 C ATOM 874 OG SER A 57 -7.000 -12.150 2.668 1.00 0.00 O ATOM 0 H SER A 57 -6.479 -9.219 3.877 1.00 0.00 H new ATOM 0 HA SER A 57 -4.696 -11.579 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.587 -10.364 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.469 -11.667 1.381 1.00 0.00 H new ATOM 0 HG SER A 57 -7.580 -12.448 1.937 1.00 0.00 H new ATOM 880 N GLN A 58 -2.868 -10.514 2.454 1.00 0.00 N ATOM 881 CA GLN A 58 -1.714 -9.825 1.889 1.00 0.00 C ATOM 882 C GLN A 58 -2.153 -8.745 0.905 1.00 0.00 C ATOM 883 O GLN A 58 -1.600 -7.645 0.887 1.00 0.00 O ATOM 884 CB GLN A 58 -0.790 -10.823 1.189 1.00 0.00 C ATOM 885 CG GLN A 58 0.116 -11.585 2.143 1.00 0.00 C ATOM 886 CD GLN A 58 1.348 -12.142 1.459 1.00 0.00 C ATOM 887 OE1 GLN A 58 2.445 -11.597 1.587 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.174 -13.235 0.725 1.00 0.00 N ATOM 0 H GLN A 58 -2.718 -11.505 2.641 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.171 -9.349 2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.396 -11.536 0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.175 -10.289 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.423 -10.923 2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.445 -12.403 2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.247 -13.654 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.967 -13.655 0.240 1.00 0.00 H new ATOM 897 N LEU A 59 -3.150 -9.066 0.088 1.00 0.00 N ATOM 898 CA LEU A 59 -3.664 -8.123 -0.900 1.00 0.00 C ATOM 899 C LEU A 59 -3.976 -6.776 -0.256 1.00 0.00 C ATOM 900 O LEU A 59 -3.491 -5.737 -0.702 1.00 0.00 O ATOM 901 CB LEU A 59 -4.920 -8.686 -1.566 1.00 0.00 C ATOM 902 CG LEU A 59 -5.651 -7.744 -2.524 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.816 -7.495 -3.769 1.00 0.00 C ATOM 904 CD2 LEU A 59 -7.012 -8.315 -2.897 1.00 0.00 C ATOM 0 H LEU A 59 -3.619 -9.972 0.090 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.895 -7.973 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.644 -9.587 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.617 -8.989 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.805 -6.790 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.353 -6.823 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.866 -7.043 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.630 -8.441 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.519 -7.632 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.880 -9.282 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.613 -8.440 -1.996 1.00 0.00 H new ATOM 916 N GLN A 60 -4.787 -6.803 0.797 1.00 0.00 N ATOM 917 CA GLN A 60 -5.162 -5.584 1.504 1.00 0.00 C ATOM 918 C GLN A 60 -3.956 -4.669 1.689 1.00 0.00 C ATOM 919 O GLN A 60 -3.922 -3.556 1.165 1.00 0.00 O ATOM 920 CB GLN A 60 -5.773 -5.925 2.864 1.00 0.00 C ATOM 921 CG GLN A 60 -7.023 -6.784 2.771 1.00 0.00 C ATOM 922 CD GLN A 60 -8.107 -6.148 1.924 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.959 -6.006 0.710 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.207 -5.762 2.561 1.00 0.00 N ATOM 0 H GLN A 60 -5.197 -7.655 1.179 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.904 -5.059 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.029 -6.445 3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.016 -5.000 3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.761 -7.755 2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.410 -6.965 3.774 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.287 -5.899 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.971 -5.329 2.043 1.00 0.00 H new ATOM 933 N VAL A 61 -2.967 -5.146 2.439 1.00 0.00 N ATOM 934 CA VAL A 61 -1.759 -4.372 2.693 1.00 0.00 C ATOM 935 C VAL A 61 -1.118 -3.908 1.390 1.00 0.00 C ATOM 936 O VAL A 61 -0.895 -2.715 1.184 1.00 0.00 O ATOM 937 CB VAL A 61 -0.728 -5.187 3.497 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.515 -4.355 3.772 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.342 -5.689 4.795 1.00 0.00 C ATOM 0 H VAL A 61 -2.980 -6.065 2.881 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.059 -3.502 3.277 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.432 -6.052 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.231 -4.948 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.965 -4.050 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.241 -3.470 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.600 -6.263 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.668 -4.840 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.198 -6.325 4.570 1.00 0.00 H new ATOM 949 N LYS A 62 -0.825 -4.860 0.510 1.00 0.00 N ATOM 950 CA LYS A 62 -0.212 -4.551 -0.776 1.00 0.00 C ATOM 951 C LYS A 62 -0.913 -3.372 -1.444 1.00 0.00 C ATOM 952 O LYS A 62 -0.325 -2.305 -1.622 1.00 0.00 O ATOM 953 CB LYS A 62 -0.260 -5.774 -1.695 1.00 0.00 C ATOM 954 CG LYS A 62 0.397 -5.546 -3.045 1.00 0.00 C ATOM 955 CD LYS A 62 -0.597 -5.020 -4.067 1.00 0.00 C ATOM 956 CE LYS A 62 -0.125 -5.279 -5.489 1.00 0.00 C ATOM 957 NZ LYS A 62 -0.388 -6.682 -5.913 1.00 0.00 N ATOM 0 H LYS A 62 -1.003 -5.852 0.665 1.00 0.00 H new ATOM 0 HA LYS A 62 0.828 -4.279 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.231 -6.611 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.300 -6.061 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.218 -4.837 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.828 -6.481 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.566 -5.495 -3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.740 -3.950 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.629 -4.593 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.943 -5.072 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.052 -6.819 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.114 -7.336 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.409 -6.872 -5.869 1.00 0.00 H new ATOM 971 N THR A 63 -2.175 -3.572 -1.812 1.00 0.00 N ATOM 972 CA THR A 63 -2.957 -2.526 -2.460 1.00 0.00 C ATOM 973 C THR A 63 -3.120 -1.316 -1.548 1.00 0.00 C ATOM 974 O THR A 63 -2.662 -0.219 -1.868 1.00 0.00 O ATOM 975 CB THR A 63 -4.351 -3.038 -2.869 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.225 -4.227 -3.657 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.107 -1.979 -3.657 1.00 0.00 C ATOM 0 H THR A 63 -2.677 -4.449 -1.672 1.00 0.00 H new ATOM 0 HA THR A 63 -2.409 -2.231 -3.355 1.00 0.00 H new ATOM 0 HB THR A 63 -4.912 -3.262 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.116 -4.547 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.088 -2.364 -3.935 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.227 -1.086 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.548 -1.728 -4.558 1.00 0.00 H new ATOM 985 N TRP A 64 -3.774 -1.523 -0.410 1.00 0.00 N ATOM 986 CA TRP A 64 -3.996 -0.448 0.550 1.00 0.00 C ATOM 987 C TRP A 64 -2.783 0.473 0.627 1.00 0.00 C ATOM 988 O TRP A 64 -2.918 1.696 0.603 1.00 0.00 O ATOM 989 CB TRP A 64 -4.302 -1.026 1.932 1.00 0.00 C ATOM 990 CG TRP A 64 -4.808 -0.004 2.905 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.114 0.289 3.180 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.019 0.861 3.728 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.183 1.284 4.125 1.00 0.00 N ATOM 994 CE2 TRP A 64 -4.911 1.652 4.478 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.645 1.043 3.906 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.472 2.608 5.390 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.211 1.994 4.811 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.122 2.766 5.544 1.00 0.00 C ATOM 0 H TRP A 64 -4.159 -2.425 -0.130 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.851 0.137 0.211 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.043 -1.819 1.830 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.399 -1.484 2.334 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.966 -0.191 2.722 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.042 1.684 4.503 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.935 0.452 3.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.173 3.204 5.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.151 2.144 4.955 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.751 3.500 6.244 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.599 -0.122 0.719 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.362 0.645 0.801 1.00 0.00 C ATOM 1011 C TYR A 65 -0.143 1.464 -0.467 1.00 0.00 C ATOM 1012 O TYR A 65 -0.092 2.693 -0.423 1.00 0.00 O ATOM 1013 CB TYR A 65 0.828 -0.289 1.031 1.00 0.00 C ATOM 1014 CG TYR A 65 1.140 -0.525 2.491 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.162 -0.981 3.366 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.413 -0.292 2.996 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.442 -1.198 4.701 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.703 -0.507 4.329 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.714 -0.959 5.178 1.00 0.00 C ATOM 1020 OH TYR A 65 1.998 -1.175 6.507 1.00 0.00 O ATOM 0 H TYR A 65 -1.470 -1.134 0.739 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.445 1.331 1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.625 -1.247 0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.708 0.131 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.835 -1.169 2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.189 0.063 2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.330 -1.553 5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.699 -0.322 4.705 1.00 0.00 H new ATOM 0 HH TYR A 65 2.938 -0.960 6.680 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.015 0.773 -1.595 1.00 0.00 N ATOM 1031 CA GLN A 66 0.198 1.435 -2.876 1.00 0.00 C ATOM 1032 C GLN A 66 -0.782 2.589 -3.062 1.00 0.00 C ATOM 1033 O GLN A 66 -0.403 3.672 -3.505 1.00 0.00 O ATOM 1034 CB GLN A 66 0.050 0.434 -4.023 1.00 0.00 C ATOM 1035 CG GLN A 66 1.213 -0.538 -4.137 1.00 0.00 C ATOM 1036 CD GLN A 66 1.144 -1.385 -5.392 1.00 0.00 C ATOM 1037 OE1 GLN A 66 0.078 -1.870 -5.771 1.00 0.00 O ATOM 1038 NE2 GLN A 66 2.286 -1.569 -6.045 1.00 0.00 N ATOM 0 H GLN A 66 -0.055 -0.245 -1.648 1.00 0.00 H new ATOM 0 HA GLN A 66 1.211 1.838 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.872 -0.131 -3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.049 0.981 -4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.150 0.020 -4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.224 -1.190 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.147 -1.148 -5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.302 -2.131 -6.896 1.00 0.00 H new ATOM 1047 N ASN A 67 -2.043 2.348 -2.721 1.00 0.00 N ATOM 1048 CA ASN A 67 -3.078 3.367 -2.851 1.00 0.00 C ATOM 1049 C ASN A 67 -2.849 4.506 -1.862 1.00 0.00 C ATOM 1050 O ASN A 67 -3.324 5.623 -2.065 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.461 2.752 -2.626 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.083 2.241 -3.911 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.147 2.957 -4.910 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.546 0.996 -3.890 1.00 0.00 N ATOM 0 H ASN A 67 -2.373 1.456 -2.353 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.028 3.772 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.379 1.931 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.119 3.497 -2.179 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.976 0.598 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.472 0.439 -3.039 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.116 4.214 -0.792 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.823 5.213 0.229 1.00 0.00 C ATOM 1063 C ARG A 68 -0.603 6.044 -0.157 1.00 0.00 C ATOM 1064 O ARG A 68 -0.678 7.269 -0.249 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.586 4.537 1.580 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.858 4.317 2.383 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.414 5.628 2.916 1.00 0.00 C ATOM 1068 NE ARG A 68 -2.659 6.115 4.067 1.00 0.00 N ATOM 1069 CZ ARG A 68 -3.098 7.064 4.887 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -4.282 7.624 4.683 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -2.353 7.454 5.913 1.00 0.00 N ATOM 0 H ARG A 68 -1.714 3.294 -0.610 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.683 5.878 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.100 3.576 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.898 5.146 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.606 3.831 1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.653 3.643 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.394 6.378 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.458 5.491 3.199 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.744 5.704 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.858 7.327 3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.617 8.352 5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.441 7.025 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.692 8.183 6.541 1.00 0.00 H new