USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=9 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=-0.00884 USER MOD Single : A 28 GLN : amide:sc= -3.48 K(o=-3.5,f=-8.7!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.484 X(o=-0.48,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 73:sc= 0.0359 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.987 K(o=-0.99,f=-0.098) USER MOD Single : A 60 GLN : amide:sc= -3.84! C(o=-3.8!,f=-9.2!) USER MOD Single : A 62 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00211) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 167:sc= -2.27 USER MOD Single : A 66 GLN : amide:sc= -0.895 K(o=-0.9,f=-4.9!) USER MOD Single : A 67 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.750 -2.718 5.161 1.00 0.00 N ATOM 320 CA PHE A 24 -11.978 -2.791 6.396 1.00 0.00 C ATOM 321 C PHE A 24 -12.752 -2.178 7.559 1.00 0.00 C ATOM 322 O PHE A 24 -13.315 -1.089 7.440 1.00 0.00 O ATOM 323 CB PHE A 24 -10.637 -2.075 6.227 1.00 0.00 C ATOM 324 CG PHE A 24 -9.770 -2.671 5.154 1.00 0.00 C ATOM 325 CD1 PHE A 24 -10.197 -2.699 3.836 1.00 0.00 C ATOM 326 CD2 PHE A 24 -8.528 -3.202 5.464 1.00 0.00 C ATOM 327 CE1 PHE A 24 -9.402 -3.247 2.847 1.00 0.00 C ATOM 328 CE2 PHE A 24 -7.729 -3.750 4.479 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.167 -3.773 3.169 1.00 0.00 C ATOM 0 HA PHE A 24 -11.795 -3.842 6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.821 -1.026 5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.098 -2.101 7.174 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -11.162 -2.288 3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.181 -3.187 6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.747 -3.264 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.763 -4.160 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.544 -4.202 2.398 1.00 0.00 H new ATOM 339 N THR A 25 -12.776 -2.884 8.685 1.00 0.00 N ATOM 340 CA THR A 25 -13.482 -2.412 9.869 1.00 0.00 C ATOM 341 C THR A 25 -12.683 -1.333 10.591 1.00 0.00 C ATOM 342 O THR A 25 -11.455 -1.303 10.516 1.00 0.00 O ATOM 343 CB THR A 25 -13.769 -3.564 10.850 1.00 0.00 C ATOM 344 OG1 THR A 25 -14.467 -3.069 11.997 1.00 0.00 O ATOM 345 CG2 THR A 25 -12.476 -4.237 11.287 1.00 0.00 C ATOM 0 H THR A 25 -12.314 -3.786 8.802 1.00 0.00 H new ATOM 0 HA THR A 25 -14.428 -1.993 9.526 1.00 0.00 H new ATOM 0 HB THR A 25 -14.389 -4.301 10.339 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.647 -3.808 12.615 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.704 -5.047 11.980 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.962 -4.639 10.414 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.835 -3.507 11.781 1.00 0.00 H new ATOM 353 N GLU A 26 -13.387 -0.449 11.290 1.00 0.00 N ATOM 354 CA GLU A 26 -12.742 0.632 12.025 1.00 0.00 C ATOM 355 C GLU A 26 -11.479 0.136 12.725 1.00 0.00 C ATOM 356 O GLU A 26 -10.501 0.873 12.860 1.00 0.00 O ATOM 357 CB GLU A 26 -13.707 1.228 13.053 1.00 0.00 C ATOM 358 CG GLU A 26 -14.724 2.183 12.451 1.00 0.00 C ATOM 359 CD GLU A 26 -15.370 3.078 13.490 1.00 0.00 C ATOM 360 OE1 GLU A 26 -14.635 3.823 14.171 1.00 0.00 O ATOM 361 OE2 GLU A 26 -16.611 3.032 13.624 1.00 0.00 O ATOM 0 H GLU A 26 -14.404 -0.460 11.363 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.461 1.405 11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.235 0.418 13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.133 1.755 13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.235 2.801 11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.497 1.609 11.940 1.00 0.00 H new ATOM 368 N LEU A 27 -11.509 -1.116 13.168 1.00 0.00 N ATOM 369 CA LEU A 27 -10.368 -1.711 13.854 1.00 0.00 C ATOM 370 C LEU A 27 -9.228 -1.987 12.878 1.00 0.00 C ATOM 371 O LEU A 27 -8.167 -1.369 12.959 1.00 0.00 O ATOM 372 CB LEU A 27 -10.785 -3.009 14.547 1.00 0.00 C ATOM 373 CG LEU A 27 -10.013 -3.371 15.817 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.680 -2.759 17.039 1.00 0.00 C ATOM 375 CD2 LEU A 27 -9.908 -4.881 15.965 1.00 0.00 C ATOM 0 H LEU A 27 -12.311 -1.738 13.064 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.017 -1.002 14.603 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.844 -2.940 14.797 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.678 -3.828 13.835 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.005 -2.963 15.736 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.117 -3.027 17.933 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.703 -1.674 16.936 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.699 -3.137 17.125 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.356 -5.120 16.874 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.908 -5.311 16.024 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.385 -5.296 15.103 1.00 0.00 H new ATOM 387 N GLN A 28 -9.457 -2.916 11.956 1.00 0.00 N ATOM 388 CA GLN A 28 -8.450 -3.271 10.963 1.00 0.00 C ATOM 389 C GLN A 28 -7.888 -2.025 10.288 1.00 0.00 C ATOM 390 O GLN A 28 -6.714 -1.982 9.918 1.00 0.00 O ATOM 391 CB GLN A 28 -9.047 -4.209 9.913 1.00 0.00 C ATOM 392 CG GLN A 28 -9.464 -5.561 10.471 1.00 0.00 C ATOM 393 CD GLN A 28 -9.348 -6.675 9.450 1.00 0.00 C ATOM 394 OE1 GLN A 28 -8.292 -7.292 9.304 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.435 -6.939 8.735 1.00 0.00 N ATOM 0 H GLN A 28 -10.331 -3.436 11.876 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.635 -3.783 11.476 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.915 -3.729 9.460 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.317 -4.363 9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.844 -5.800 11.335 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.494 -5.502 10.823 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.289 -6.403 8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.416 -7.678 8.032 1.00 0.00 H new ATOM 404 N LEU A 29 -8.732 -1.012 10.130 1.00 0.00 N ATOM 405 CA LEU A 29 -8.320 0.237 9.498 1.00 0.00 C ATOM 406 C LEU A 29 -7.368 1.015 10.401 1.00 0.00 C ATOM 407 O LEU A 29 -6.346 1.528 9.946 1.00 0.00 O ATOM 408 CB LEU A 29 -9.544 1.094 9.169 1.00 0.00 C ATOM 409 CG LEU A 29 -10.276 0.748 7.872 1.00 0.00 C ATOM 410 CD1 LEU A 29 -11.537 1.586 7.731 1.00 0.00 C ATOM 411 CD2 LEU A 29 -9.361 0.953 6.673 1.00 0.00 C ATOM 0 H LEU A 29 -9.706 -1.031 10.431 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.797 -0.007 8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -10.251 1.014 9.994 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.230 2.137 9.118 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.565 -0.302 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.045 1.326 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.200 1.391 8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.272 2.643 7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.898 0.702 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.042 1.995 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.487 0.309 6.768 1.00 0.00 H new ATOM 423 N MET A 30 -7.710 1.097 11.682 1.00 0.00 N ATOM 424 CA MET A 30 -6.884 1.810 12.649 1.00 0.00 C ATOM 425 C MET A 30 -5.479 1.218 12.705 1.00 0.00 C ATOM 426 O MET A 30 -4.491 1.946 12.792 1.00 0.00 O ATOM 427 CB MET A 30 -7.527 1.760 14.037 1.00 0.00 C ATOM 428 CG MET A 30 -6.625 2.283 15.143 1.00 0.00 C ATOM 429 SD MET A 30 -7.551 2.845 16.585 1.00 0.00 S ATOM 430 CE MET A 30 -7.387 1.426 17.666 1.00 0.00 C ATOM 0 H MET A 30 -8.553 0.679 12.075 1.00 0.00 H new ATOM 0 HA MET A 30 -6.809 2.849 12.329 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.447 2.344 14.023 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.806 0.731 14.263 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.932 1.497 15.444 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.024 3.107 14.758 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.909 1.620 18.603 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.820 0.550 17.184 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.332 1.244 17.870 1.00 0.00 H new ATOM 440 N GLY A 31 -5.398 -0.108 12.654 1.00 0.00 N ATOM 441 CA GLY A 31 -4.110 -0.774 12.700 1.00 0.00 C ATOM 442 C GLY A 31 -3.297 -0.554 11.439 1.00 0.00 C ATOM 443 O GLY A 31 -2.128 -0.172 11.503 1.00 0.00 O ATOM 0 H GLY A 31 -6.201 -0.732 12.582 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.547 -0.410 13.559 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.262 -1.843 12.848 1.00 0.00 H new ATOM 447 N LEU A 32 -3.916 -0.797 10.289 1.00 0.00 N ATOM 448 CA LEU A 32 -3.242 -0.625 9.006 1.00 0.00 C ATOM 449 C LEU A 32 -2.422 0.661 8.991 1.00 0.00 C ATOM 450 O LEU A 32 -1.270 0.667 8.559 1.00 0.00 O ATOM 451 CB LEU A 32 -4.265 -0.604 7.869 1.00 0.00 C ATOM 452 CG LEU A 32 -4.605 -1.960 7.248 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.757 -1.822 6.265 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.384 -2.553 6.561 1.00 0.00 C ATOM 0 H LEU A 32 -4.883 -1.114 10.218 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.566 -1.468 8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.186 -0.157 8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.890 0.050 7.082 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.913 -2.637 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.985 -2.796 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.636 -1.441 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.477 -1.130 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.644 -3.517 6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.046 -1.879 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.586 -2.688 7.291 1.00 0.00 H new ATOM 466 N GLU A 33 -3.024 1.747 9.466 1.00 0.00 N ATOM 467 CA GLU A 33 -2.347 3.038 9.508 1.00 0.00 C ATOM 468 C GLU A 33 -1.046 2.945 10.301 1.00 0.00 C ATOM 469 O GLU A 33 0.001 3.415 9.855 1.00 0.00 O ATOM 470 CB GLU A 33 -3.260 4.097 10.128 1.00 0.00 C ATOM 471 CG GLU A 33 -4.416 4.505 9.229 1.00 0.00 C ATOM 472 CD GLU A 33 -5.278 5.591 9.844 1.00 0.00 C ATOM 473 OE1 GLU A 33 -6.207 5.250 10.607 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.024 6.780 9.563 1.00 0.00 O ATOM 0 H GLU A 33 -3.978 1.759 9.827 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.108 3.328 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.659 3.716 11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.668 4.980 10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.023 4.855 8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.033 3.632 9.018 1.00 0.00 H new ATOM 481 N LYS A 34 -1.121 2.336 11.479 1.00 0.00 N ATOM 482 CA LYS A 34 0.049 2.180 12.336 1.00 0.00 C ATOM 483 C LYS A 34 1.174 1.465 11.595 1.00 0.00 C ATOM 484 O LYS A 34 2.249 2.028 11.387 1.00 0.00 O ATOM 485 CB LYS A 34 -0.320 1.401 13.600 1.00 0.00 C ATOM 486 CG LYS A 34 0.596 1.684 14.778 1.00 0.00 C ATOM 487 CD LYS A 34 0.269 3.017 15.431 1.00 0.00 C ATOM 488 CE LYS A 34 1.367 3.452 16.390 1.00 0.00 C ATOM 489 NZ LYS A 34 1.159 2.901 17.757 1.00 0.00 N ATOM 0 H LYS A 34 -1.980 1.942 11.863 1.00 0.00 H new ATOM 0 HA LYS A 34 0.398 3.174 12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.345 1.645 13.881 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.295 0.334 13.379 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.502 0.885 15.513 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.633 1.687 14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.134 3.777 14.661 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.675 2.938 15.969 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.334 3.123 16.009 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.397 4.541 16.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.928 3.220 18.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.248 3.236 18.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.156 1.862 17.716 1.00 0.00 H new ATOM 503 N ARG A 35 0.919 0.222 11.198 1.00 0.00 N ATOM 504 CA ARG A 35 1.911 -0.569 10.480 1.00 0.00 C ATOM 505 C ARG A 35 2.482 0.214 9.301 1.00 0.00 C ATOM 506 O ARG A 35 3.693 0.412 9.202 1.00 0.00 O ATOM 507 CB ARG A 35 1.290 -1.876 9.985 1.00 0.00 C ATOM 508 CG ARG A 35 1.237 -2.965 11.044 1.00 0.00 C ATOM 509 CD ARG A 35 2.624 -3.298 11.571 1.00 0.00 C ATOM 510 NE ARG A 35 2.984 -2.478 12.724 1.00 0.00 N ATOM 511 CZ ARG A 35 2.532 -2.699 13.953 1.00 0.00 C ATOM 512 NH1 ARG A 35 1.708 -3.711 14.188 1.00 0.00 N ATOM 513 NH2 ARG A 35 2.905 -1.908 14.951 1.00 0.00 N ATOM 0 H ARG A 35 0.034 -0.258 11.362 1.00 0.00 H new ATOM 0 HA ARG A 35 2.724 -0.798 11.169 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.279 -1.676 9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.861 -2.239 9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.601 -2.642 11.868 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.782 -3.861 10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.663 -4.351 11.849 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.358 -3.151 10.778 1.00 0.00 H new ATOM 0 HE ARG A 35 3.618 -1.692 12.578 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.420 -4.322 13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.362 -3.878 15.133 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.540 -1.129 14.775 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.557 -2.079 15.894 1.00 0.00 H new ATOM 527 N PHE A 36 1.601 0.657 8.410 1.00 0.00 N ATOM 528 CA PHE A 36 2.017 1.417 7.237 1.00 0.00 C ATOM 529 C PHE A 36 2.887 2.604 7.639 1.00 0.00 C ATOM 530 O PHE A 36 3.883 2.907 6.983 1.00 0.00 O ATOM 531 CB PHE A 36 0.793 1.906 6.460 1.00 0.00 C ATOM 532 CG PHE A 36 1.139 2.749 5.266 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.720 3.996 5.427 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.884 2.294 3.982 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.039 4.774 4.330 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.200 3.067 2.881 1.00 0.00 C ATOM 537 CZ PHE A 36 1.780 4.309 3.056 1.00 0.00 C ATOM 0 H PHE A 36 0.595 0.503 8.478 1.00 0.00 H new ATOM 0 HA PHE A 36 2.605 0.759 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.213 1.044 6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.154 2.483 7.129 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.926 4.365 6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.433 1.323 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.491 5.745 4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.994 2.701 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.030 4.915 2.198 1.00 0.00 H new ATOM 547 N GLU A 37 2.501 3.273 8.721 1.00 0.00 N ATOM 548 CA GLU A 37 3.245 4.428 9.209 1.00 0.00 C ATOM 549 C GLU A 37 4.687 4.050 9.533 1.00 0.00 C ATOM 550 O GLU A 37 5.627 4.738 9.132 1.00 0.00 O ATOM 551 CB GLU A 37 2.568 5.010 10.452 1.00 0.00 C ATOM 552 CG GLU A 37 1.431 5.967 10.134 1.00 0.00 C ATOM 553 CD GLU A 37 1.921 7.350 9.751 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.302 7.541 8.578 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.924 8.241 10.627 1.00 0.00 O ATOM 0 H GLU A 37 1.679 3.035 9.275 1.00 0.00 H new ATOM 0 HA GLU A 37 3.253 5.181 8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.184 4.193 11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.314 5.532 11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.835 5.558 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.774 6.046 11.000 1.00 0.00 H new ATOM 562 N LYS A 38 4.855 2.952 10.261 1.00 0.00 N ATOM 563 CA LYS A 38 6.182 2.480 10.639 1.00 0.00 C ATOM 564 C LYS A 38 7.020 2.164 9.404 1.00 0.00 C ATOM 565 O LYS A 38 8.142 2.649 9.264 1.00 0.00 O ATOM 566 CB LYS A 38 6.070 1.236 11.524 1.00 0.00 C ATOM 567 CG LYS A 38 5.458 1.512 12.887 1.00 0.00 C ATOM 568 CD LYS A 38 6.518 1.887 13.909 1.00 0.00 C ATOM 569 CE LYS A 38 6.897 3.356 13.806 1.00 0.00 C ATOM 570 NZ LYS A 38 7.425 3.884 15.094 1.00 0.00 N ATOM 0 H LYS A 38 4.088 2.372 10.601 1.00 0.00 H new ATOM 0 HA LYS A 38 6.677 3.274 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.468 0.487 11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.063 0.807 11.661 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.730 2.319 12.803 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.917 0.630 13.229 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.149 1.675 14.912 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.404 1.270 13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.648 3.484 13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.024 3.936 13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.672 4.888 14.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.700 3.786 15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.273 3.347 15.368 1.00 0.00 H new ATOM 584 N GLN A 39 6.466 1.349 8.512 1.00 0.00 N ATOM 585 CA GLN A 39 7.163 0.971 7.288 1.00 0.00 C ATOM 586 C GLN A 39 6.307 1.265 6.061 1.00 0.00 C ATOM 587 O GLN A 39 5.380 0.520 5.743 1.00 0.00 O ATOM 588 CB GLN A 39 7.530 -0.514 7.324 1.00 0.00 C ATOM 589 CG GLN A 39 8.796 -0.846 6.551 1.00 0.00 C ATOM 590 CD GLN A 39 9.541 -2.032 7.133 1.00 0.00 C ATOM 591 OE1 GLN A 39 10.286 -1.896 8.104 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.344 -3.204 6.541 1.00 0.00 N ATOM 0 H GLN A 39 5.538 0.938 8.614 1.00 0.00 H new ATOM 0 HA GLN A 39 8.076 1.563 7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.656 -0.824 8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.702 -1.094 6.916 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.539 -1.057 5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.453 0.024 6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.718 -3.271 5.739 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.819 -4.037 6.889 1.00 0.00 H new ATOM 601 N LYS A 40 6.623 2.357 5.373 1.00 0.00 N ATOM 602 CA LYS A 40 5.885 2.751 4.179 1.00 0.00 C ATOM 603 C LYS A 40 5.485 1.529 3.359 1.00 0.00 C ATOM 604 O LYS A 40 4.476 1.546 2.653 1.00 0.00 O ATOM 605 CB LYS A 40 6.727 3.700 3.323 1.00 0.00 C ATOM 606 CG LYS A 40 7.123 4.978 4.042 1.00 0.00 C ATOM 607 CD LYS A 40 5.931 5.900 4.236 1.00 0.00 C ATOM 608 CE LYS A 40 6.197 6.935 5.319 1.00 0.00 C ATOM 609 NZ LYS A 40 5.861 6.418 6.674 1.00 0.00 N ATOM 0 H LYS A 40 7.387 2.986 5.623 1.00 0.00 H new ATOM 0 HA LYS A 40 4.979 3.266 4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.629 3.180 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.168 3.957 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.556 4.732 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.894 5.494 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.703 6.405 3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.053 5.311 4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.247 7.228 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.611 7.831 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.056 7.152 7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.853 6.162 6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.438 5.577 6.878 1.00 0.00 H new ATOM 623 N TYR A 41 6.280 0.470 3.458 1.00 0.00 N ATOM 624 CA TYR A 41 6.008 -0.761 2.725 1.00 0.00 C ATOM 625 C TYR A 41 6.602 -1.967 3.446 1.00 0.00 C ATOM 626 O TYR A 41 7.820 -2.092 3.575 1.00 0.00 O ATOM 627 CB TYR A 41 6.577 -0.670 1.307 1.00 0.00 C ATOM 628 CG TYR A 41 7.784 0.233 1.196 1.00 0.00 C ATOM 629 CD1 TYR A 41 9.059 -0.239 1.484 1.00 0.00 C ATOM 630 CD2 TYR A 41 7.651 1.558 0.801 1.00 0.00 C ATOM 631 CE1 TYR A 41 10.164 0.582 1.384 1.00 0.00 C ATOM 632 CE2 TYR A 41 8.751 2.387 0.697 1.00 0.00 C ATOM 633 CZ TYR A 41 10.006 1.895 0.990 1.00 0.00 C ATOM 634 OH TYR A 41 11.105 2.716 0.888 1.00 0.00 O ATOM 0 H TYR A 41 7.118 0.439 4.039 1.00 0.00 H new ATOM 0 HA TYR A 41 4.927 -0.890 2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.849 -1.670 0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 41 5.799 -0.307 0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.187 -1.266 1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.670 1.947 0.571 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.147 0.199 1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.629 3.415 0.388 1.00 0.00 H new ATOM 0 HH TYR A 41 10.821 3.608 0.598 1.00 0.00 H new ATOM 644 N LEU A 42 5.731 -2.855 3.915 1.00 0.00 N ATOM 645 CA LEU A 42 6.167 -4.053 4.624 1.00 0.00 C ATOM 646 C LEU A 42 6.834 -5.038 3.669 1.00 0.00 C ATOM 647 O LEU A 42 6.603 -4.999 2.460 1.00 0.00 O ATOM 648 CB LEU A 42 4.977 -4.721 5.315 1.00 0.00 C ATOM 649 CG LEU A 42 4.032 -3.790 6.074 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.615 -4.341 6.062 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.515 -3.589 7.503 1.00 0.00 C ATOM 0 H LEU A 42 4.719 -2.768 3.817 1.00 0.00 H new ATOM 0 HA LEU A 42 6.897 -3.755 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.399 -5.257 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.359 -5.466 6.013 1.00 0.00 H new ATOM 0 HG LEU A 42 4.028 -2.822 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.957 -3.664 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.269 -4.433 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.602 -5.322 6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.830 -2.923 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.550 -4.551 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.512 -3.148 7.492 1.00 0.00 H new ATOM 663 N SER A 43 7.660 -5.921 4.220 1.00 0.00 N ATOM 664 CA SER A 43 8.363 -6.915 3.417 1.00 0.00 C ATOM 665 C SER A 43 7.430 -8.060 3.033 1.00 0.00 C ATOM 666 O SER A 43 6.272 -8.101 3.451 1.00 0.00 O ATOM 667 CB SER A 43 9.569 -7.461 4.183 1.00 0.00 C ATOM 668 OG SER A 43 10.572 -7.922 3.294 1.00 0.00 O ATOM 0 H SER A 43 7.859 -5.969 5.219 1.00 0.00 H new ATOM 0 HA SER A 43 8.711 -6.430 2.505 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.979 -6.682 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.252 -8.277 4.833 1.00 0.00 H new ATOM 0 HG SER A 43 11.333 -8.264 3.808 1.00 0.00 H new ATOM 674 N THR A 44 7.943 -8.990 2.234 1.00 0.00 N ATOM 675 CA THR A 44 7.158 -10.135 1.791 1.00 0.00 C ATOM 676 C THR A 44 6.520 -10.855 2.974 1.00 0.00 C ATOM 677 O THR A 44 5.299 -10.988 3.065 1.00 0.00 O ATOM 678 CB THR A 44 8.021 -11.137 1.001 1.00 0.00 C ATOM 679 OG1 THR A 44 7.972 -10.830 -0.397 1.00 0.00 O ATOM 680 CG2 THR A 44 7.541 -12.562 1.229 1.00 0.00 C ATOM 0 H THR A 44 8.900 -8.972 1.880 1.00 0.00 H new ATOM 0 HA THR A 44 6.375 -9.747 1.139 1.00 0.00 H new ATOM 0 HB THR A 44 9.049 -11.056 1.355 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.524 -11.470 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.166 -13.252 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.607 -12.803 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.506 -12.654 0.900 1.00 0.00 H new ATOM 688 N PRO A 45 7.362 -11.329 3.903 1.00 0.00 N ATOM 689 CA PRO A 45 6.902 -12.042 5.099 1.00 0.00 C ATOM 690 C PRO A 45 6.182 -11.124 6.080 1.00 0.00 C ATOM 691 O PRO A 45 5.124 -11.470 6.606 1.00 0.00 O ATOM 692 CB PRO A 45 8.198 -12.573 5.716 1.00 0.00 C ATOM 693 CG PRO A 45 9.257 -11.642 5.233 1.00 0.00 C ATOM 694 CD PRO A 45 8.829 -11.206 3.859 1.00 0.00 C ATOM 0 HA PRO A 45 6.179 -12.821 4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.144 -12.581 6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.397 -13.597 5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.358 -10.786 5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.227 -12.138 5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.140 -10.183 3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.262 -11.838 3.084 1.00 0.00 H new ATOM 702 N ASP A 46 6.761 -9.953 6.322 1.00 0.00 N ATOM 703 CA ASP A 46 6.173 -8.984 7.239 1.00 0.00 C ATOM 704 C ASP A 46 4.694 -8.770 6.929 1.00 0.00 C ATOM 705 O ASP A 46 3.837 -8.944 7.795 1.00 0.00 O ATOM 706 CB ASP A 46 6.922 -7.653 7.157 1.00 0.00 C ATOM 707 CG ASP A 46 8.378 -7.783 7.557 1.00 0.00 C ATOM 708 OD1 ASP A 46 9.051 -8.706 7.054 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.845 -6.961 8.374 1.00 0.00 O ATOM 0 H ASP A 46 7.637 -9.652 5.896 1.00 0.00 H new ATOM 0 HA ASP A 46 6.260 -9.379 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.861 -7.267 6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.434 -6.924 7.804 1.00 0.00 H new ATOM 714 N ARG A 47 4.404 -8.390 5.689 1.00 0.00 N ATOM 715 CA ARG A 47 3.030 -8.150 5.265 1.00 0.00 C ATOM 716 C ARG A 47 2.116 -9.287 5.713 1.00 0.00 C ATOM 717 O ARG A 47 0.963 -9.062 6.081 1.00 0.00 O ATOM 718 CB ARG A 47 2.962 -7.995 3.745 1.00 0.00 C ATOM 719 CG ARG A 47 1.548 -8.044 3.190 1.00 0.00 C ATOM 720 CD ARG A 47 1.540 -7.938 1.673 1.00 0.00 C ATOM 721 NE ARG A 47 1.817 -9.221 1.033 1.00 0.00 N ATOM 722 CZ ARG A 47 1.849 -9.394 -0.283 1.00 0.00 C ATOM 723 NH1 ARG A 47 1.622 -8.370 -1.095 1.00 0.00 N ATOM 724 NH2 ARG A 47 2.108 -10.592 -0.790 1.00 0.00 N ATOM 0 H ARG A 47 5.102 -8.242 4.960 1.00 0.00 H new ATOM 0 HA ARG A 47 2.688 -7.227 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.421 -7.047 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.553 -8.785 3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.069 -8.975 3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.961 -7.230 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.570 -7.569 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.284 -7.207 1.357 1.00 0.00 H new ATOM 0 HE ARG A 47 1.996 -10.029 1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.422 -7.447 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.647 -8.505 -2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.283 -11.382 -0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.132 -10.723 -1.801 1.00 0.00 H new ATOM 738 N ILE A 48 2.640 -10.508 5.677 1.00 0.00 N ATOM 739 CA ILE A 48 1.871 -11.680 6.079 1.00 0.00 C ATOM 740 C ILE A 48 1.605 -11.674 7.581 1.00 0.00 C ATOM 741 O ILE A 48 0.454 -11.650 8.017 1.00 0.00 O ATOM 742 CB ILE A 48 2.598 -12.985 5.703 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.861 -13.032 4.197 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.780 -14.191 6.142 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.816 -14.130 3.785 1.00 0.00 C ATOM 0 H ILE A 48 3.593 -10.711 5.374 1.00 0.00 H new ATOM 0 HA ILE A 48 0.922 -11.635 5.544 1.00 0.00 H new ATOM 0 HB ILE A 48 3.557 -13.013 6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.914 -13.170 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.264 -12.071 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.306 -15.106 5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.639 -14.161 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.808 -14.171 5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.956 -14.104 2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.776 -13.981 4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.405 -15.097 4.074 1.00 0.00 H new ATOM 757 N ASP A 49 2.676 -11.694 8.366 1.00 0.00 N ATOM 758 CA ASP A 49 2.559 -11.688 9.820 1.00 0.00 C ATOM 759 C ASP A 49 1.423 -10.774 10.269 1.00 0.00 C ATOM 760 O ASP A 49 0.586 -11.162 11.085 1.00 0.00 O ATOM 761 CB ASP A 49 3.874 -11.238 10.457 1.00 0.00 C ATOM 762 CG ASP A 49 4.004 -11.689 11.898 1.00 0.00 C ATOM 763 OD1 ASP A 49 2.960 -11.936 12.539 1.00 0.00 O ATOM 764 OD2 ASP A 49 5.148 -11.797 12.385 1.00 0.00 O ATOM 0 H ASP A 49 3.635 -11.715 8.020 1.00 0.00 H new ATOM 0 HA ASP A 49 2.336 -12.704 10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.709 -11.634 9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.943 -10.151 10.412 1.00 0.00 H new ATOM 769 N LEU A 50 1.400 -9.559 9.732 1.00 0.00 N ATOM 770 CA LEU A 50 0.367 -8.589 10.079 1.00 0.00 C ATOM 771 C LEU A 50 -1.005 -9.064 9.610 1.00 0.00 C ATOM 772 O LEU A 50 -1.914 -9.259 10.416 1.00 0.00 O ATOM 773 CB LEU A 50 0.688 -7.229 9.458 1.00 0.00 C ATOM 774 CG LEU A 50 -0.488 -6.262 9.314 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.819 -5.621 10.653 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.178 -5.196 8.273 1.00 0.00 C ATOM 0 H LEU A 50 2.084 -9.222 9.055 1.00 0.00 H new ATOM 0 HA LEU A 50 0.346 -8.490 11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.456 -6.748 10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.118 -7.395 8.471 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.358 -6.826 8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.658 -4.936 10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.085 -6.396 11.372 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.048 -5.071 11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.026 -4.517 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.705 -4.635 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.009 -5.671 7.310 1.00 0.00 H new ATOM 788 N ALA A 51 -1.146 -9.249 8.302 1.00 0.00 N ATOM 789 CA ALA A 51 -2.405 -9.705 7.726 1.00 0.00 C ATOM 790 C ALA A 51 -3.016 -10.827 8.559 1.00 0.00 C ATOM 791 O ALA A 51 -4.233 -11.004 8.579 1.00 0.00 O ATOM 792 CB ALA A 51 -2.193 -10.166 6.291 1.00 0.00 C ATOM 0 H ALA A 51 -0.404 -9.090 7.621 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.101 -8.866 7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.142 -10.504 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.809 -9.338 5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.476 -10.987 6.275 1.00 0.00 H new ATOM 798 N GLU A 52 -2.162 -11.580 9.245 1.00 0.00 N ATOM 799 CA GLU A 52 -2.619 -12.686 10.079 1.00 0.00 C ATOM 800 C GLU A 52 -3.093 -12.181 11.439 1.00 0.00 C ATOM 801 O GLU A 52 -4.024 -12.731 12.027 1.00 0.00 O ATOM 802 CB GLU A 52 -1.499 -13.711 10.265 1.00 0.00 C ATOM 803 CG GLU A 52 -1.485 -14.797 9.202 1.00 0.00 C ATOM 804 CD GLU A 52 -0.875 -16.093 9.700 1.00 0.00 C ATOM 805 OE1 GLU A 52 -1.543 -16.801 10.482 1.00 0.00 O ATOM 806 OE2 GLU A 52 0.270 -16.399 9.306 1.00 0.00 O ATOM 0 H GLU A 52 -1.151 -11.445 9.240 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.459 -13.165 9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.540 -13.194 10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.602 -14.176 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.505 -14.985 8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.924 -14.445 8.336 1.00 0.00 H new ATOM 813 N SER A 53 -2.443 -11.132 11.934 1.00 0.00 N ATOM 814 CA SER A 53 -2.794 -10.556 13.226 1.00 0.00 C ATOM 815 C SER A 53 -4.090 -9.756 13.131 1.00 0.00 C ATOM 816 O SER A 53 -4.969 -9.871 13.987 1.00 0.00 O ATOM 817 CB SER A 53 -1.663 -9.657 13.732 1.00 0.00 C ATOM 818 OG SER A 53 -0.516 -10.420 14.063 1.00 0.00 O ATOM 0 H SER A 53 -1.671 -10.664 11.459 1.00 0.00 H new ATOM 0 HA SER A 53 -2.943 -11.373 13.931 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.408 -8.923 12.968 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.999 -9.101 14.607 1.00 0.00 H new ATOM 0 HG SER A 53 -0.083 -10.732 13.241 1.00 0.00 H new ATOM 824 N LEU A 54 -4.202 -8.946 12.084 1.00 0.00 N ATOM 825 CA LEU A 54 -5.390 -8.126 11.875 1.00 0.00 C ATOM 826 C LEU A 54 -6.482 -8.921 11.166 1.00 0.00 C ATOM 827 O LEU A 54 -7.669 -8.636 11.317 1.00 0.00 O ATOM 828 CB LEU A 54 -5.038 -6.881 11.060 1.00 0.00 C ATOM 829 CG LEU A 54 -4.328 -5.760 11.819 1.00 0.00 C ATOM 830 CD1 LEU A 54 -3.997 -4.608 10.883 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.185 -5.277 12.980 1.00 0.00 C ATOM 0 H LEU A 54 -3.485 -8.840 11.367 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.766 -7.819 12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.406 -7.184 10.225 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.957 -6.479 10.634 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.395 -6.154 12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.492 -3.819 11.441 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.344 -4.963 10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.917 -4.214 10.451 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.664 -4.479 13.509 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.135 -4.901 12.599 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.371 -6.105 13.664 1.00 0.00 H new ATOM 843 N GLY A 55 -6.071 -9.921 10.392 1.00 0.00 N ATOM 844 CA GLY A 55 -7.027 -10.743 9.673 1.00 0.00 C ATOM 845 C GLY A 55 -7.243 -10.269 8.250 1.00 0.00 C ATOM 846 O GLY A 55 -8.344 -10.385 7.709 1.00 0.00 O ATOM 0 H GLY A 55 -5.094 -10.176 10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.677 -11.775 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.979 -10.736 10.204 1.00 0.00 H new ATOM 850 N LEU A 56 -6.192 -9.731 7.640 1.00 0.00 N ATOM 851 CA LEU A 56 -6.273 -9.236 6.271 1.00 0.00 C ATOM 852 C LEU A 56 -5.511 -10.149 5.315 1.00 0.00 C ATOM 853 O LEU A 56 -4.680 -10.952 5.739 1.00 0.00 O ATOM 854 CB LEU A 56 -5.715 -7.814 6.188 1.00 0.00 C ATOM 855 CG LEU A 56 -6.372 -6.781 7.106 1.00 0.00 C ATOM 856 CD1 LEU A 56 -5.529 -5.517 7.176 1.00 0.00 C ATOM 857 CD2 LEU A 56 -7.779 -6.460 6.625 1.00 0.00 C ATOM 0 H LEU A 56 -5.274 -9.627 8.072 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.322 -9.226 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.650 -7.849 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.809 -7.468 5.159 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.440 -7.204 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.012 -4.794 7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.541 -5.760 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.429 -5.090 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.232 -5.724 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.735 -6.057 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.381 -7.369 6.627 1.00 0.00 H new ATOM 869 N SER A 57 -5.798 -10.018 4.024 1.00 0.00 N ATOM 870 CA SER A 57 -5.141 -10.832 3.009 1.00 0.00 C ATOM 871 C SER A 57 -3.966 -10.083 2.388 1.00 0.00 C ATOM 872 O SER A 57 -4.058 -8.889 2.104 1.00 0.00 O ATOM 873 CB SER A 57 -6.139 -11.230 1.920 1.00 0.00 C ATOM 874 OG SER A 57 -7.205 -11.993 2.459 1.00 0.00 O ATOM 0 H SER A 57 -6.481 -9.356 3.656 1.00 0.00 H new ATOM 0 HA SER A 57 -4.761 -11.733 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.535 -10.335 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.629 -11.806 1.148 1.00 0.00 H new ATOM 0 HG SER A 57 -7.830 -12.233 1.743 1.00 0.00 H new ATOM 880 N GLN A 58 -2.862 -10.794 2.181 1.00 0.00 N ATOM 881 CA GLN A 58 -1.668 -10.196 1.595 1.00 0.00 C ATOM 882 C GLN A 58 -2.040 -9.134 0.566 1.00 0.00 C ATOM 883 O GLN A 58 -1.360 -8.116 0.435 1.00 0.00 O ATOM 884 CB GLN A 58 -0.801 -11.274 0.942 1.00 0.00 C ATOM 885 CG GLN A 58 -0.343 -12.354 1.908 1.00 0.00 C ATOM 886 CD GLN A 58 0.295 -13.536 1.203 1.00 0.00 C ATOM 887 OE1 GLN A 58 -0.395 -14.363 0.607 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.618 -13.620 1.268 1.00 0.00 N ATOM 0 H GLN A 58 -2.770 -11.784 2.410 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.102 -9.718 2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.362 -11.738 0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.074 -10.803 0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.371 -11.927 2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.197 -12.701 2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.150 -12.911 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.103 -14.393 0.813 1.00 0.00 H new ATOM 897 N LEU A 59 -3.124 -9.377 -0.163 1.00 0.00 N ATOM 898 CA LEU A 59 -3.587 -8.441 -1.182 1.00 0.00 C ATOM 899 C LEU A 59 -3.925 -7.088 -0.564 1.00 0.00 C ATOM 900 O LEU A 59 -3.464 -6.049 -1.034 1.00 0.00 O ATOM 901 CB LEU A 59 -4.812 -9.006 -1.903 1.00 0.00 C ATOM 902 CG LEU A 59 -5.554 -8.038 -2.825 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.715 -7.722 -4.053 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.901 -8.617 -3.233 1.00 0.00 C ATOM 0 H LEU A 59 -3.699 -10.214 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.782 -8.300 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.497 -9.867 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.513 -9.372 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.729 -7.110 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.259 -7.032 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.775 -7.265 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.509 -8.642 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.415 -7.915 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.748 -9.559 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.506 -8.792 -2.344 1.00 0.00 H new ATOM 916 N GLN A 60 -4.732 -7.110 0.492 1.00 0.00 N ATOM 917 CA GLN A 60 -5.131 -5.885 1.174 1.00 0.00 C ATOM 918 C GLN A 60 -3.960 -4.913 1.275 1.00 0.00 C ATOM 919 O GLN A 60 -3.940 -3.878 0.608 1.00 0.00 O ATOM 920 CB GLN A 60 -5.665 -6.205 2.571 1.00 0.00 C ATOM 921 CG GLN A 60 -6.842 -7.167 2.567 1.00 0.00 C ATOM 922 CD GLN A 60 -8.098 -6.551 1.983 1.00 0.00 C ATOM 923 OE1 GLN A 60 -8.043 -5.822 0.992 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.240 -6.841 2.595 1.00 0.00 N ATOM 0 H GLN A 60 -5.122 -7.963 0.894 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.922 -5.414 0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.860 -6.631 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.967 -5.277 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.578 -8.056 1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.043 -7.494 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.240 -7.450 3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.118 -6.455 2.247 1.00 0.00 H new ATOM 933 N VAL A 61 -2.986 -5.252 2.113 1.00 0.00 N ATOM 934 CA VAL A 61 -1.811 -4.410 2.301 1.00 0.00 C ATOM 935 C VAL A 61 -1.241 -3.955 0.962 1.00 0.00 C ATOM 936 O VAL A 61 -1.063 -2.761 0.723 1.00 0.00 O ATOM 937 CB VAL A 61 -0.713 -5.146 3.091 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.476 -4.230 3.334 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.266 -5.675 4.406 1.00 0.00 C ATOM 0 H VAL A 61 -2.987 -6.105 2.673 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.134 -3.538 2.870 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.372 -5.995 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.241 -4.768 3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.886 -3.905 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.154 -3.359 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.476 -6.192 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.636 -4.844 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.082 -6.369 4.205 1.00 0.00 H new ATOM 949 N LYS A 62 -0.955 -4.916 0.090 1.00 0.00 N ATOM 950 CA LYS A 62 -0.406 -4.617 -1.227 1.00 0.00 C ATOM 951 C LYS A 62 -1.136 -3.440 -1.866 1.00 0.00 C ATOM 952 O LYS A 62 -0.510 -2.508 -2.371 1.00 0.00 O ATOM 953 CB LYS A 62 -0.505 -5.845 -2.134 1.00 0.00 C ATOM 954 CG LYS A 62 0.219 -5.682 -3.460 1.00 0.00 C ATOM 955 CD LYS A 62 -0.578 -4.824 -4.428 1.00 0.00 C ATOM 956 CE LYS A 62 -0.172 -5.086 -5.870 1.00 0.00 C ATOM 957 NZ LYS A 62 1.112 -4.416 -6.215 1.00 0.00 N ATOM 0 H LYS A 62 -1.095 -5.910 0.272 1.00 0.00 H new ATOM 0 HA LYS A 62 0.643 -4.348 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.095 -6.708 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.556 -6.060 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.195 -5.228 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.396 -6.663 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.642 -5.028 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.426 -3.771 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.076 -6.160 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.957 -4.732 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.363 -4.633 -7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.008 -3.387 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.863 -4.759 -5.583 1.00 0.00 H new ATOM 971 N THR A 63 -2.465 -3.488 -1.838 1.00 0.00 N ATOM 972 CA THR A 63 -3.280 -2.426 -2.414 1.00 0.00 C ATOM 973 C THR A 63 -3.341 -1.216 -1.488 1.00 0.00 C ATOM 974 O THR A 63 -2.854 -0.138 -1.828 1.00 0.00 O ATOM 975 CB THR A 63 -4.713 -2.911 -2.702 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.682 -4.024 -3.602 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.553 -1.792 -3.300 1.00 0.00 C ATOM 0 H THR A 63 -2.999 -4.251 -1.422 1.00 0.00 H new ATOM 0 HA THR A 63 -2.807 -2.138 -3.353 1.00 0.00 H new ATOM 0 HB THR A 63 -5.165 -3.219 -1.759 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.597 -4.327 -3.779 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.561 -2.158 -3.495 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.599 -0.958 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.102 -1.457 -4.234 1.00 0.00 H new ATOM 985 N TRP A 64 -3.941 -1.403 -0.318 1.00 0.00 N ATOM 986 CA TRP A 64 -4.065 -0.326 0.657 1.00 0.00 C ATOM 987 C TRP A 64 -2.814 0.545 0.669 1.00 0.00 C ATOM 988 O TRP A 64 -2.898 1.770 0.579 1.00 0.00 O ATOM 989 CB TRP A 64 -4.315 -0.900 2.053 1.00 0.00 C ATOM 990 CG TRP A 64 -4.849 0.109 3.024 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.161 0.403 3.261 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.083 0.957 3.886 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.257 1.384 4.218 1.00 0.00 N ATOM 994 CE2 TRP A 64 -4.997 1.740 4.619 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.715 1.130 4.112 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.584 2.681 5.559 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.307 2.064 5.045 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.239 2.829 5.760 1.00 0.00 C ATOM 0 H TRP A 64 -4.349 -2.290 -0.022 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.914 0.294 0.369 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.020 -1.728 1.977 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.383 -1.310 2.442 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.000 -0.066 2.769 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.126 1.783 4.573 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.989 0.544 3.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.300 3.273 6.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.252 2.207 5.226 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.888 3.550 6.484 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.655 -0.094 0.779 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.386 0.623 0.804 1.00 0.00 C ATOM 1011 C TYR A 65 -0.146 1.352 -0.514 1.00 0.00 C ATOM 1012 O TYR A 65 -0.231 2.578 -0.582 1.00 0.00 O ATOM 1013 CB TYR A 65 0.766 -0.345 1.082 1.00 0.00 C ATOM 1014 CG TYR A 65 1.005 -0.596 2.553 1.00 0.00 C ATOM 1015 CD1 TYR A 65 -0.035 -0.981 3.390 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.271 -0.449 3.107 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.179 -1.211 4.736 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.494 -0.678 4.451 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.445 -1.058 5.261 1.00 0.00 C ATOM 1020 OH TYR A 65 1.662 -1.288 6.600 1.00 0.00 O ATOM 0 H TYR A 65 -1.568 -1.108 0.852 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.431 1.362 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.558 -1.295 0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.678 0.052 0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.028 -1.103 2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.095 -0.151 2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.641 -1.509 5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.485 -0.560 4.865 1.00 0.00 H new ATOM 0 HH TYR A 65 2.626 -1.342 6.771 1.00 0.00 H new ATOM 1030 N GLN A 66 0.154 0.588 -1.559 1.00 0.00 N ATOM 1031 CA GLN A 66 0.406 1.161 -2.876 1.00 0.00 C ATOM 1032 C GLN A 66 -0.471 2.386 -3.115 1.00 0.00 C ATOM 1033 O GLN A 66 0.027 3.465 -3.431 1.00 0.00 O ATOM 1034 CB GLN A 66 0.153 0.118 -3.966 1.00 0.00 C ATOM 1035 CG GLN A 66 1.342 -0.793 -4.224 1.00 0.00 C ATOM 1036 CD GLN A 66 2.465 -0.093 -4.964 1.00 0.00 C ATOM 1037 OE1 GLN A 66 2.785 1.062 -4.680 1.00 0.00 O ATOM 1038 NE2 GLN A 66 3.070 -0.789 -5.919 1.00 0.00 N ATOM 0 H GLN A 66 0.228 -0.429 -1.520 1.00 0.00 H new ATOM 0 HA GLN A 66 1.450 1.472 -2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.706 -0.491 -3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.110 0.629 -4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.719 -1.170 -3.273 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.014 -1.657 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.772 -1.743 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.833 -0.369 -6.451 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.779 2.210 -2.961 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.726 3.301 -3.160 1.00 0.00 C ATOM 1049 C ASN A 67 -2.427 4.460 -2.214 1.00 0.00 C ATOM 1050 O ASN A 67 -2.496 5.626 -2.603 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.158 2.807 -2.944 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.711 2.089 -4.160 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.365 2.412 -5.296 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.577 1.110 -3.925 1.00 0.00 N ATOM 0 H ASN A 67 -2.207 1.322 -2.699 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.623 3.657 -4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.182 2.135 -2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.799 3.655 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.984 0.592 -4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.835 0.877 -2.966 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.095 4.130 -0.970 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.787 5.143 0.033 1.00 0.00 C ATOM 1063 C ARG A 68 -0.561 5.956 -0.375 1.00 0.00 C ATOM 1064 O ARG A 68 -0.626 7.180 -0.489 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.548 4.488 1.394 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.828 4.162 2.146 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.336 5.364 2.928 1.00 0.00 C ATOM 1068 NE ARG A 68 -2.601 5.556 4.175 1.00 0.00 N ATOM 1069 CZ ARG A 68 -2.636 6.679 4.884 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -3.367 7.705 4.470 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -1.940 6.777 6.010 1.00 0.00 N ATOM 0 H ARG A 68 -2.032 3.169 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.641 5.817 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.977 3.571 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.937 5.152 2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.593 3.836 1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.649 3.332 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.248 6.260 2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.395 5.232 3.148 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.029 4.785 4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.904 7.633 3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.392 8.566 5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.377 5.990 6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.968 7.640 6.553 1.00 0.00 H new