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= 0.0101 USER MOD Single : A 28 GLN : amide:sc= -8.7! C(o=-8.7!,f=-17!) 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= 0.0936 X(o=0.094,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= -0.0612 (180deg=-0.469) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 101:sc= 0.517 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -3.08! C(o=-3.1!,f=-4.1!) USER MOD Single : A 60 GLN : amide:sc= -4.19! C(o=-4.2!,f=-9.1!) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.0634 (180deg=-0.464) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -1:sc= -3.29! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc=-0.00764 K(o=-0.0076,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.442 -1.292 4.610 1.00 0.00 N ATOM 320 CA PHE A 24 -11.726 -1.610 5.840 1.00 0.00 C ATOM 321 C PHE A 24 -12.476 -1.080 7.058 1.00 0.00 C ATOM 322 O PHE A 24 -12.944 0.059 7.068 1.00 0.00 O ATOM 323 CB PHE A 24 -10.314 -1.020 5.800 1.00 0.00 C ATOM 324 CG PHE A 24 -9.374 -1.775 4.905 1.00 0.00 C ATOM 325 CD1 PHE A 24 -8.751 -2.930 5.349 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.113 -1.330 3.619 1.00 0.00 C ATOM 327 CE1 PHE A 24 -7.885 -3.627 4.528 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.248 -2.023 2.793 1.00 0.00 C ATOM 329 CZ PHE A 24 -7.634 -3.173 3.248 1.00 0.00 C ATOM 0 HA PHE A 24 -11.657 -2.695 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.371 0.015 5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.907 -1.004 6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.944 -3.290 6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.591 -0.431 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.405 -4.526 4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.053 -1.665 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.959 -3.717 2.604 1.00 0.00 H new ATOM 339 N THR A 25 -12.588 -1.916 8.086 1.00 0.00 N ATOM 340 CA THR A 25 -13.283 -1.535 9.309 1.00 0.00 C ATOM 341 C THR A 25 -12.425 -0.606 10.161 1.00 0.00 C ATOM 342 O THR A 25 -11.199 -0.705 10.161 1.00 0.00 O ATOM 343 CB THR A 25 -13.668 -2.770 10.145 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.490 -3.485 10.534 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.589 -3.690 9.358 1.00 0.00 C ATOM 0 H THR A 25 -12.206 -2.862 8.095 1.00 0.00 H new ATOM 0 HA THR A 25 -14.191 -1.013 9.007 1.00 0.00 H new ATOM 0 HB THR A 25 -14.196 -2.429 11.036 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.743 -4.268 11.067 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.847 -4.555 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.498 -3.152 9.089 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.083 -4.023 8.452 1.00 0.00 H new ATOM 353 N GLU A 26 -13.079 0.295 10.888 1.00 0.00 N ATOM 354 CA GLU A 26 -12.375 1.241 11.745 1.00 0.00 C ATOM 355 C GLU A 26 -11.165 0.584 12.402 1.00 0.00 C ATOM 356 O GLU A 26 -10.094 1.184 12.498 1.00 0.00 O ATOM 357 CB GLU A 26 -13.317 1.790 12.818 1.00 0.00 C ATOM 358 CG GLU A 26 -14.086 3.025 12.379 1.00 0.00 C ATOM 359 CD GLU A 26 -14.753 3.739 13.539 1.00 0.00 C ATOM 360 OE1 GLU A 26 -14.027 4.259 14.412 1.00 0.00 O ATOM 361 OE2 GLU A 26 -16.001 3.778 13.573 1.00 0.00 O ATOM 0 H GLU A 26 -14.095 0.389 10.900 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.026 2.065 11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.026 1.012 13.099 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.738 2.031 13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.406 3.713 11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.844 2.737 11.650 1.00 0.00 H new ATOM 368 N LEU A 27 -11.344 -0.652 12.854 1.00 0.00 N ATOM 369 CA LEU A 27 -10.268 -1.393 13.504 1.00 0.00 C ATOM 370 C LEU A 27 -9.160 -1.728 12.510 1.00 0.00 C ATOM 371 O LEU A 27 -7.986 -1.457 12.760 1.00 0.00 O ATOM 372 CB LEU A 27 -10.812 -2.678 14.130 1.00 0.00 C ATOM 373 CG LEU A 27 -9.901 -3.367 15.147 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.727 -4.112 16.184 1.00 0.00 C ATOM 375 CD2 LEU A 27 -8.942 -4.317 14.444 1.00 0.00 C ATOM 0 H LEU A 27 -12.224 -1.163 12.783 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.849 -0.763 14.289 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.759 -2.448 14.618 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.029 -3.385 13.329 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.316 -2.603 15.659 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.062 -4.596 16.899 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.374 -3.408 16.708 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.338 -4.866 15.689 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.301 -4.799 15.182 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.510 -5.076 13.906 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.327 -3.757 13.739 1.00 0.00 H new ATOM 387 N GLN A 28 -9.543 -2.317 11.381 1.00 0.00 N ATOM 388 CA GLN A 28 -8.582 -2.687 10.349 1.00 0.00 C ATOM 389 C GLN A 28 -7.772 -1.475 9.900 1.00 0.00 C ATOM 390 O GLN A 28 -6.544 -1.531 9.820 1.00 0.00 O ATOM 391 CB GLN A 28 -9.303 -3.307 9.150 1.00 0.00 C ATOM 392 CG GLN A 28 -9.870 -4.689 9.430 1.00 0.00 C ATOM 393 CD GLN A 28 -8.825 -5.782 9.321 1.00 0.00 C ATOM 394 OE1 GLN A 28 -7.631 -5.505 9.193 1.00 0.00 O ATOM 395 NE2 GLN A 28 -9.268 -7.033 9.371 1.00 0.00 N ATOM 0 H GLN A 28 -10.511 -2.548 11.158 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.897 -3.422 10.772 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.113 -2.646 8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.609 -3.371 8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.303 -4.704 10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.679 -4.894 8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.266 -7.217 9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.611 -7.810 9.303 1.00 0.00 H new ATOM 404 N LEU A 29 -8.467 -0.381 9.606 1.00 0.00 N ATOM 405 CA LEU A 29 -7.812 0.845 9.164 1.00 0.00 C ATOM 406 C LEU A 29 -6.835 1.352 10.220 1.00 0.00 C ATOM 407 O LEU A 29 -5.724 1.774 9.900 1.00 0.00 O ATOM 408 CB LEU A 29 -8.855 1.922 8.859 1.00 0.00 C ATOM 409 CG LEU A 29 -9.497 1.860 7.472 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.566 2.933 7.331 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.440 2.011 6.388 1.00 0.00 C ATOM 0 H LEU A 29 -9.483 -0.318 9.666 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.252 0.622 8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.645 1.856 9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.385 2.898 8.977 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.972 0.886 7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.012 2.874 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.338 2.779 8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.115 3.916 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.915 1.964 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.936 2.971 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.711 1.206 6.476 1.00 0.00 H new ATOM 423 N MET A 30 -7.257 1.305 11.480 1.00 0.00 N ATOM 424 CA MET A 30 -6.418 1.757 12.583 1.00 0.00 C ATOM 425 C MET A 30 -5.104 0.982 12.620 1.00 0.00 C ATOM 426 O MET A 30 -4.033 1.564 12.782 1.00 0.00 O ATOM 427 CB MET A 30 -7.156 1.595 13.913 1.00 0.00 C ATOM 428 CG MET A 30 -6.329 2.004 15.121 1.00 0.00 C ATOM 429 SD MET A 30 -7.343 2.604 16.486 1.00 0.00 S ATOM 430 CE MET A 30 -7.804 1.061 17.270 1.00 0.00 C ATOM 0 H MET A 30 -8.174 0.959 11.762 1.00 0.00 H new ATOM 0 HA MET A 30 -6.193 2.812 12.426 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.068 2.192 13.888 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.459 0.554 14.026 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.740 1.151 15.459 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.624 2.782 14.827 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.435 1.267 18.135 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.352 0.442 16.560 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.906 0.535 17.593 1.00 0.00 H new ATOM 440 N GLY A 31 -5.195 -0.336 12.469 1.00 0.00 N ATOM 441 CA GLY A 31 -4.007 -1.169 12.488 1.00 0.00 C ATOM 442 C GLY A 31 -3.163 -1.004 11.240 1.00 0.00 C ATOM 443 O GLY A 31 -1.965 -0.733 11.322 1.00 0.00 O ATOM 0 H GLY A 31 -6.071 -0.842 12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.407 -0.921 13.364 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.301 -2.214 12.588 1.00 0.00 H new ATOM 447 N LEU A 32 -3.788 -1.170 10.079 1.00 0.00 N ATOM 448 CA LEU A 32 -3.087 -1.040 8.807 1.00 0.00 C ATOM 449 C LEU A 32 -2.200 0.201 8.798 1.00 0.00 C ATOM 450 O LEU A 32 -1.023 0.131 8.447 1.00 0.00 O ATOM 451 CB LEU A 32 -4.090 -0.972 7.654 1.00 0.00 C ATOM 452 CG LEU A 32 -4.562 -2.315 7.095 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.655 -2.107 6.058 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.394 -3.084 6.495 1.00 0.00 C ATOM 0 H LEU A 32 -4.779 -1.395 9.993 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.454 -1.918 8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.964 -0.414 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.641 -0.401 6.842 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.975 -2.903 7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.978 -3.073 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.502 -1.599 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.269 -1.499 5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.749 -4.037 6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.951 -2.501 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.644 -3.266 7.265 1.00 0.00 H new ATOM 466 N GLU A 33 -2.773 1.335 9.189 1.00 0.00 N ATOM 467 CA GLU A 33 -2.033 2.590 9.228 1.00 0.00 C ATOM 468 C GLU A 33 -0.830 2.484 10.160 1.00 0.00 C ATOM 469 O GLU A 33 0.251 2.991 9.857 1.00 0.00 O ATOM 470 CB GLU A 33 -2.945 3.732 9.683 1.00 0.00 C ATOM 471 CG GLU A 33 -3.989 4.125 8.651 1.00 0.00 C ATOM 472 CD GLU A 33 -4.571 5.502 8.905 1.00 0.00 C ATOM 473 OE1 GLU A 33 -3.872 6.501 8.637 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.727 5.579 9.373 1.00 0.00 O ATOM 0 H GLU A 33 -3.747 1.410 9.483 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.673 2.801 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.449 3.438 10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.333 4.603 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.540 4.102 7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.793 3.389 8.654 1.00 0.00 H new ATOM 481 N LYS A 34 -1.025 1.823 11.295 1.00 0.00 N ATOM 482 CA LYS A 34 0.043 1.648 12.272 1.00 0.00 C ATOM 483 C LYS A 34 1.297 1.082 11.613 1.00 0.00 C ATOM 484 O LYS A 34 2.384 1.647 11.738 1.00 0.00 O ATOM 485 CB LYS A 34 -0.416 0.721 13.400 1.00 0.00 C ATOM 486 CG LYS A 34 0.350 0.915 14.697 1.00 0.00 C ATOM 487 CD LYS A 34 0.016 2.246 15.348 1.00 0.00 C ATOM 488 CE LYS A 34 0.141 2.173 16.862 1.00 0.00 C ATOM 489 NZ LYS A 34 1.552 1.967 17.293 1.00 0.00 N ATOM 0 H LYS A 34 -1.914 1.399 11.562 1.00 0.00 H new ATOM 0 HA LYS A 34 0.283 2.626 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.477 0.887 13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.308 -0.314 13.075 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.114 0.103 15.385 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.421 0.864 14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.683 3.018 14.964 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.999 2.539 15.079 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.243 3.093 17.303 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.476 1.357 17.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.595 1.923 18.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.911 1.076 16.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.137 2.758 16.956 1.00 0.00 H new ATOM 503 N ARG A 35 1.138 -0.035 10.911 1.00 0.00 N ATOM 504 CA ARG A 35 2.258 -0.676 10.232 1.00 0.00 C ATOM 505 C ARG A 35 2.763 0.189 9.081 1.00 0.00 C ATOM 506 O ARG A 35 3.886 0.694 9.116 1.00 0.00 O ATOM 507 CB ARG A 35 1.843 -2.052 9.707 1.00 0.00 C ATOM 508 CG ARG A 35 2.075 -3.178 10.700 1.00 0.00 C ATOM 509 CD ARG A 35 1.163 -3.050 11.911 1.00 0.00 C ATOM 510 NE ARG A 35 1.255 -4.212 12.791 1.00 0.00 N ATOM 511 CZ ARG A 35 2.328 -4.498 13.521 1.00 0.00 C ATOM 512 NH1 ARG A 35 3.394 -3.710 13.476 1.00 0.00 N ATOM 513 NH2 ARG A 35 2.336 -5.573 14.298 1.00 0.00 N ATOM 0 H ARG A 35 0.245 -0.515 10.797 1.00 0.00 H new ATOM 0 HA ARG A 35 3.066 -0.798 10.953 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.786 -2.026 9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.397 -2.265 8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.901 -4.137 10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.116 -3.170 11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.425 -2.151 12.469 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.132 -2.929 11.577 1.00 0.00 H new ATOM 0 HE ARG A 35 0.452 -4.838 12.848 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.391 -2.882 12.880 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.216 -3.932 14.037 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.518 -6.181 14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.160 -5.791 14.858 1.00 0.00 H new ATOM 527 N PHE A 36 1.927 0.355 8.061 1.00 0.00 N ATOM 528 CA PHE A 36 2.290 1.157 6.899 1.00 0.00 C ATOM 529 C PHE A 36 3.100 2.382 7.314 1.00 0.00 C ATOM 530 O PHE A 36 4.092 2.728 6.674 1.00 0.00 O ATOM 531 CB PHE A 36 1.033 1.595 6.143 1.00 0.00 C ATOM 532 CG PHE A 36 1.323 2.444 4.939 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.861 3.713 5.083 1.00 0.00 C ATOM 534 CD2 PHE A 36 1.059 1.973 3.663 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.128 4.497 3.976 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.324 2.752 2.552 1.00 0.00 C ATOM 537 CZ PHE A 36 1.861 4.015 2.709 1.00 0.00 C ATOM 0 H PHE A 36 0.994 -0.055 8.016 1.00 0.00 H new ATOM 0 HA PHE A 36 2.906 0.542 6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.481 0.709 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.386 2.150 6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.074 4.094 6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.641 0.985 3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.545 5.485 4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.112 2.374 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.072 4.625 1.843 1.00 0.00 H new ATOM 547 N GLU A 37 2.668 3.032 8.390 1.00 0.00 N ATOM 548 CA GLU A 37 3.353 4.219 8.890 1.00 0.00 C ATOM 549 C GLU A 37 4.750 3.869 9.395 1.00 0.00 C ATOM 550 O GLU A 37 5.719 4.573 9.113 1.00 0.00 O ATOM 551 CB GLU A 37 2.541 4.869 10.012 1.00 0.00 C ATOM 552 CG GLU A 37 1.369 5.698 9.514 1.00 0.00 C ATOM 553 CD GLU A 37 1.789 7.078 9.045 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.122 7.223 7.850 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.783 8.012 9.874 1.00 0.00 O ATOM 0 H GLU A 37 1.848 2.758 8.932 1.00 0.00 H new ATOM 0 HA GLU A 37 3.450 4.925 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.168 4.090 10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.199 5.505 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.880 5.173 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.634 5.798 10.312 1.00 0.00 H new ATOM 562 N LYS A 38 4.845 2.776 10.144 1.00 0.00 N ATOM 563 CA LYS A 38 6.121 2.330 10.689 1.00 0.00 C ATOM 564 C LYS A 38 7.086 1.948 9.572 1.00 0.00 C ATOM 565 O LYS A 38 8.247 2.356 9.576 1.00 0.00 O ATOM 566 CB LYS A 38 5.911 1.138 11.626 1.00 0.00 C ATOM 567 CG LYS A 38 5.585 1.538 13.055 1.00 0.00 C ATOM 568 CD LYS A 38 5.781 0.378 14.017 1.00 0.00 C ATOM 569 CE LYS A 38 5.398 0.761 15.438 1.00 0.00 C ATOM 570 NZ LYS A 38 6.498 1.486 16.133 1.00 0.00 N ATOM 0 H LYS A 38 4.052 2.182 10.388 1.00 0.00 H new ATOM 0 HA LYS A 38 6.555 3.156 11.253 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.102 0.519 11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.811 0.523 11.626 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.220 2.372 13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.554 1.887 13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.178 -0.470 13.693 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.822 0.057 13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.506 1.388 15.417 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.143 -0.137 16.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.198 1.729 17.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.341 0.879 16.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.724 2.357 15.611 1.00 0.00 H new ATOM 584 N GLN A 39 6.597 1.164 8.617 1.00 0.00 N ATOM 585 CA GLN A 39 7.418 0.728 7.493 1.00 0.00 C ATOM 586 C GLN A 39 6.676 0.913 6.173 1.00 0.00 C ATOM 587 O GLN A 39 5.799 0.122 5.825 1.00 0.00 O ATOM 588 CB GLN A 39 7.818 -0.739 7.665 1.00 0.00 C ATOM 589 CG GLN A 39 9.157 -1.082 7.032 1.00 0.00 C ATOM 590 CD GLN A 39 9.704 -2.412 7.511 1.00 0.00 C ATOM 591 OE1 GLN A 39 10.090 -2.557 8.671 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.741 -3.394 6.617 1.00 0.00 N ATOM 0 H GLN A 39 5.638 0.818 8.599 1.00 0.00 H new ATOM 0 HA GLN A 39 8.318 1.343 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.857 -0.974 8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.046 -1.371 7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.046 -1.108 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.875 -0.294 7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.411 -3.230 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.100 -4.311 6.882 1.00 0.00 H new ATOM 601 N LYS A 40 7.032 1.964 5.442 1.00 0.00 N ATOM 602 CA LYS A 40 6.402 2.254 4.160 1.00 0.00 C ATOM 603 C LYS A 40 6.040 0.966 3.427 1.00 0.00 C ATOM 604 O LYS A 40 4.962 0.853 2.845 1.00 0.00 O ATOM 605 CB LYS A 40 7.333 3.103 3.291 1.00 0.00 C ATOM 606 CG LYS A 40 7.432 4.551 3.741 1.00 0.00 C ATOM 607 CD LYS A 40 6.227 5.359 3.289 1.00 0.00 C ATOM 608 CE LYS A 40 6.113 6.667 4.057 1.00 0.00 C ATOM 609 NZ LYS A 40 5.846 6.438 5.505 1.00 0.00 N ATOM 0 H LYS A 40 7.755 2.630 5.716 1.00 0.00 H new ATOM 0 HA LYS A 40 5.485 2.812 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.329 2.660 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.980 3.075 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.511 4.591 4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.342 4.997 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.307 5.568 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.320 4.772 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.035 7.237 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.311 7.270 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.399 7.283 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.211 5.622 5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.742 6.248 5.997 1.00 0.00 H new ATOM 623 N TYR A 41 6.948 -0.004 3.462 1.00 0.00 N ATOM 624 CA TYR A 41 6.725 -1.284 2.801 1.00 0.00 C ATOM 625 C TYR A 41 6.913 -2.441 3.776 1.00 0.00 C ATOM 626 O TYR A 41 7.573 -2.299 4.807 1.00 0.00 O ATOM 627 CB TYR A 41 7.677 -1.441 1.614 1.00 0.00 C ATOM 628 CG TYR A 41 7.269 -0.639 0.399 1.00 0.00 C ATOM 629 CD1 TYR A 41 7.308 0.750 0.413 1.00 0.00 C ATOM 630 CD2 TYR A 41 6.845 -1.271 -0.764 1.00 0.00 C ATOM 631 CE1 TYR A 41 6.935 1.486 -0.694 1.00 0.00 C ATOM 632 CE2 TYR A 41 6.471 -0.542 -1.877 1.00 0.00 C ATOM 633 CZ TYR A 41 6.518 0.836 -1.837 1.00 0.00 C ATOM 634 OH TYR A 41 6.147 1.566 -2.943 1.00 0.00 O ATOM 0 H TYR A 41 7.845 0.072 3.941 1.00 0.00 H new ATOM 0 HA TYR A 41 5.697 -1.303 2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.678 -1.137 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.733 -2.495 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.636 1.263 1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.807 -2.350 -0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.970 2.565 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.144 -1.048 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 41 5.881 0.957 -3.663 1.00 0.00 H new ATOM 644 N LEU A 42 6.330 -3.587 3.443 1.00 0.00 N ATOM 645 CA LEU A 42 6.434 -4.772 4.289 1.00 0.00 C ATOM 646 C LEU A 42 7.012 -5.948 3.509 1.00 0.00 C ATOM 647 O LEU A 42 6.538 -6.278 2.422 1.00 0.00 O ATOM 648 CB LEU A 42 5.060 -5.144 4.850 1.00 0.00 C ATOM 649 CG LEU A 42 4.446 -4.148 5.835 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.975 -4.461 6.063 1.00 0.00 C ATOM 651 CD2 LEU A 42 5.207 -4.164 7.153 1.00 0.00 C ATOM 0 H LEU A 42 5.781 -3.722 2.594 1.00 0.00 H new ATOM 0 HA LEU A 42 7.107 -4.541 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.371 -5.271 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.142 -6.111 5.346 1.00 0.00 H new ATOM 0 HG LEU A 42 4.522 -3.149 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.555 -3.742 6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.439 -4.398 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.876 -5.467 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.757 -3.449 7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.163 -5.163 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.247 -3.891 6.976 1.00 0.00 H new ATOM 663 N SER A 43 8.037 -6.579 4.073 1.00 0.00 N ATOM 664 CA SER A 43 8.681 -7.718 3.430 1.00 0.00 C ATOM 665 C SER A 43 7.670 -8.823 3.141 1.00 0.00 C ATOM 666 O SER A 43 6.471 -8.660 3.372 1.00 0.00 O ATOM 667 CB SER A 43 9.807 -8.260 4.313 1.00 0.00 C ATOM 668 OG SER A 43 10.595 -7.206 4.839 1.00 0.00 O ATOM 0 H SER A 43 8.439 -6.321 4.974 1.00 0.00 H new ATOM 0 HA SER A 43 9.102 -7.378 2.484 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.384 -8.844 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.437 -8.934 3.732 1.00 0.00 H new ATOM 0 HG SER A 43 10.329 -7.030 5.766 1.00 0.00 H new ATOM 674 N THR A 44 8.161 -9.949 2.635 1.00 0.00 N ATOM 675 CA THR A 44 7.302 -11.082 2.313 1.00 0.00 C ATOM 676 C THR A 44 6.601 -11.612 3.559 1.00 0.00 C ATOM 677 O THR A 44 5.373 -11.649 3.641 1.00 0.00 O ATOM 678 CB THR A 44 8.101 -12.226 1.661 1.00 0.00 C ATOM 679 OG1 THR A 44 8.089 -12.082 0.236 1.00 0.00 O ATOM 680 CG2 THR A 44 7.519 -13.578 2.044 1.00 0.00 C ATOM 0 H THR A 44 9.150 -10.101 2.439 1.00 0.00 H new ATOM 0 HA THR A 44 6.556 -10.721 1.605 1.00 0.00 H new ATOM 0 HB THR A 44 9.128 -12.174 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.601 -12.812 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.099 -14.371 1.572 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.556 -13.697 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.484 -13.637 1.708 1.00 0.00 H new ATOM 688 N PRO A 45 7.397 -12.031 4.553 1.00 0.00 N ATOM 689 CA PRO A 45 6.874 -12.566 5.814 1.00 0.00 C ATOM 690 C PRO A 45 6.210 -11.492 6.668 1.00 0.00 C ATOM 691 O PRO A 45 5.225 -11.754 7.357 1.00 0.00 O ATOM 692 CB PRO A 45 8.123 -13.109 6.513 1.00 0.00 C ATOM 693 CG PRO A 45 9.250 -12.317 5.946 1.00 0.00 C ATOM 694 CD PRO A 45 8.869 -12.016 4.523 1.00 0.00 C ATOM 0 HA PRO A 45 6.100 -13.316 5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.057 -12.985 7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.252 -14.174 6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.405 -11.398 6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.183 -12.879 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.254 -11.049 4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.264 -12.763 3.835 1.00 0.00 H new ATOM 702 N ASP A 46 6.756 -10.281 6.617 1.00 0.00 N ATOM 703 CA ASP A 46 6.214 -9.166 7.385 1.00 0.00 C ATOM 704 C ASP A 46 4.749 -8.926 7.036 1.00 0.00 C ATOM 705 O ASP A 46 3.881 -8.950 7.909 1.00 0.00 O ATOM 706 CB ASP A 46 7.028 -7.897 7.125 1.00 0.00 C ATOM 707 CG ASP A 46 8.298 -7.844 7.952 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.293 -8.377 9.081 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.296 -7.268 7.470 1.00 0.00 O ATOM 0 H ASP A 46 7.573 -10.047 6.052 1.00 0.00 H new ATOM 0 HA ASP A 46 6.279 -9.420 8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.284 -7.844 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.415 -7.024 7.349 1.00 0.00 H new ATOM 714 N ARG A 47 4.482 -8.693 5.755 1.00 0.00 N ATOM 715 CA ARG A 47 3.122 -8.446 5.291 1.00 0.00 C ATOM 716 C ARG A 47 2.181 -9.557 5.749 1.00 0.00 C ATOM 717 O ARG A 47 1.009 -9.312 6.036 1.00 0.00 O ATOM 718 CB ARG A 47 3.093 -8.335 3.766 1.00 0.00 C ATOM 719 CG ARG A 47 1.698 -8.135 3.196 1.00 0.00 C ATOM 720 CD ARG A 47 1.738 -7.896 1.695 1.00 0.00 C ATOM 721 NE ARG A 47 2.530 -6.718 1.349 1.00 0.00 N ATOM 722 CZ ARG A 47 3.849 -6.740 1.193 1.00 0.00 C ATOM 723 NH1 ARG A 47 4.520 -7.873 1.350 1.00 0.00 N ATOM 724 NH2 ARG A 47 4.500 -5.627 0.878 1.00 0.00 N ATOM 0 H ARG A 47 5.189 -8.670 5.020 1.00 0.00 H new ATOM 0 HA ARG A 47 2.783 -7.505 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.725 -7.502 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.526 -9.238 3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.087 -9.012 3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.221 -7.287 3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.156 -8.772 1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.722 -7.772 1.320 1.00 0.00 H new ATOM 0 HE ARG A 47 2.044 -5.831 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.023 -8.731 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.533 -7.887 1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.987 -4.754 0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.513 -5.645 0.758 1.00 0.00 H new ATOM 738 N ILE A 48 2.703 -10.777 5.814 1.00 0.00 N ATOM 739 CA ILE A 48 1.910 -11.925 6.237 1.00 0.00 C ATOM 740 C ILE A 48 1.586 -11.851 7.726 1.00 0.00 C ATOM 741 O ILE A 48 0.420 -11.873 8.120 1.00 0.00 O ATOM 742 CB ILE A 48 2.638 -13.250 5.947 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.907 -13.392 4.448 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.819 -14.427 6.457 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.791 -14.569 4.101 1.00 0.00 C ATOM 0 H ILE A 48 3.671 -10.996 5.579 1.00 0.00 H new ATOM 0 HA ILE A 48 0.983 -11.896 5.664 1.00 0.00 H new ATOM 0 HB ILE A 48 3.594 -13.244 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.956 -13.495 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.374 -12.477 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.347 -15.357 6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.673 -14.330 7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.849 -14.438 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.939 -14.607 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.756 -14.458 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.316 -15.492 4.435 1.00 0.00 H new ATOM 757 N ASP A 49 2.626 -11.761 8.548 1.00 0.00 N ATOM 758 CA ASP A 49 2.453 -11.680 9.993 1.00 0.00 C ATOM 759 C ASP A 49 1.338 -10.705 10.354 1.00 0.00 C ATOM 760 O ASP A 49 0.473 -11.010 11.177 1.00 0.00 O ATOM 761 CB ASP A 49 3.760 -11.249 10.661 1.00 0.00 C ATOM 762 CG ASP A 49 3.838 -11.680 12.113 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.817 -12.902 12.371 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.919 -10.796 12.991 1.00 0.00 O ATOM 0 H ASP A 49 3.598 -11.742 8.238 1.00 0.00 H new ATOM 0 HA ASP A 49 2.177 -12.670 10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.602 -11.673 10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.855 -10.165 10.601 1.00 0.00 H new ATOM 769 N LEU A 50 1.363 -9.530 9.734 1.00 0.00 N ATOM 770 CA LEU A 50 0.353 -8.508 9.990 1.00 0.00 C ATOM 771 C LEU A 50 -1.028 -8.986 9.555 1.00 0.00 C ATOM 772 O LEU A 50 -1.953 -9.061 10.363 1.00 0.00 O ATOM 773 CB LEU A 50 0.712 -7.214 9.257 1.00 0.00 C ATOM 774 CG LEU A 50 -0.435 -6.229 9.035 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.732 -5.458 10.312 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.105 -5.273 7.897 1.00 0.00 C ATOM 0 H LEU A 50 2.071 -9.261 9.051 1.00 0.00 H new ATOM 0 HA LEU A 50 0.329 -8.316 11.063 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.496 -6.707 9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.134 -7.475 8.286 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.326 -6.795 8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.551 -4.762 10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.013 -6.155 11.101 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.156 -4.904 10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.933 -4.579 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.798 -4.714 8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.056 -5.840 6.980 1.00 0.00 H new ATOM 788 N ALA A 51 -1.160 -9.311 8.273 1.00 0.00 N ATOM 789 CA ALA A 51 -2.427 -9.787 7.732 1.00 0.00 C ATOM 790 C ALA A 51 -3.085 -10.790 8.673 1.00 0.00 C ATOM 791 O ALA A 51 -4.307 -10.930 8.689 1.00 0.00 O ATOM 792 CB ALA A 51 -2.215 -10.409 6.359 1.00 0.00 C ATOM 0 H ALA A 51 -0.405 -9.253 7.590 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.094 -8.931 7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.170 -10.760 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.797 -9.663 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.526 -11.250 6.443 1.00 0.00 H new ATOM 798 N GLU A 52 -2.265 -11.485 9.456 1.00 0.00 N ATOM 799 CA GLU A 52 -2.769 -12.476 10.399 1.00 0.00 C ATOM 800 C GLU A 52 -3.235 -11.811 11.691 1.00 0.00 C ATOM 801 O GLU A 52 -4.201 -12.249 12.314 1.00 0.00 O ATOM 802 CB GLU A 52 -1.689 -13.514 10.708 1.00 0.00 C ATOM 803 CG GLU A 52 -1.680 -14.690 9.745 1.00 0.00 C ATOM 804 CD GLU A 52 -0.901 -15.876 10.278 1.00 0.00 C ATOM 805 OE1 GLU A 52 -1.003 -16.157 11.491 1.00 0.00 O ATOM 806 OE2 GLU A 52 -0.189 -16.523 9.482 1.00 0.00 O ATOM 0 H GLU A 52 -1.250 -11.380 9.456 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.622 -12.975 9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.713 -13.029 10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.835 -13.887 11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.706 -14.996 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.248 -14.374 8.796 1.00 0.00 H new ATOM 813 N SER A 53 -2.539 -10.749 12.087 1.00 0.00 N ATOM 814 CA SER A 53 -2.878 -10.025 13.306 1.00 0.00 C ATOM 815 C SER A 53 -4.283 -9.437 13.217 1.00 0.00 C ATOM 816 O SER A 53 -5.082 -9.563 14.145 1.00 0.00 O ATOM 817 CB SER A 53 -1.861 -8.911 13.562 1.00 0.00 C ATOM 818 OG SER A 53 -1.794 -8.587 14.940 1.00 0.00 O ATOM 0 H SER A 53 -1.738 -10.372 11.581 1.00 0.00 H new ATOM 0 HA SER A 53 -2.851 -10.730 14.137 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.878 -9.224 13.211 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.136 -8.025 12.990 1.00 0.00 H new ATOM 0 HG SER A 53 -1.136 -7.874 15.077 1.00 0.00 H new ATOM 824 N LEU A 54 -4.577 -8.793 12.093 1.00 0.00 N ATOM 825 CA LEU A 54 -5.885 -8.185 11.879 1.00 0.00 C ATOM 826 C LEU A 54 -6.831 -9.156 11.180 1.00 0.00 C ATOM 827 O LEU A 54 -8.048 -9.080 11.344 1.00 0.00 O ATOM 828 CB LEU A 54 -5.746 -6.906 11.051 1.00 0.00 C ATOM 829 CG LEU A 54 -4.690 -5.909 11.529 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.332 -4.937 10.415 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.181 -5.158 12.757 1.00 0.00 C ATOM 0 H LEU A 54 -3.927 -8.678 11.316 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.305 -7.936 12.854 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.514 -7.186 10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.712 -6.401 11.034 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.792 -6.463 11.803 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.579 -4.235 10.773 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.937 -5.490 9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.223 -4.389 10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.416 -4.453 13.082 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.093 -4.615 12.511 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.386 -5.867 13.559 1.00 0.00 H new ATOM 843 N GLY A 55 -6.261 -10.072 10.402 1.00 0.00 N ATOM 844 CA GLY A 55 -7.068 -11.047 9.692 1.00 0.00 C ATOM 845 C GLY A 55 -7.415 -10.598 8.286 1.00 0.00 C ATOM 846 O GLY A 55 -8.520 -10.848 7.802 1.00 0.00 O ATOM 0 H GLY A 55 -5.256 -10.156 10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.531 -11.994 9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.987 -11.229 10.249 1.00 0.00 H new ATOM 850 N LEU A 56 -6.471 -9.933 7.629 1.00 0.00 N ATOM 851 CA LEU A 56 -6.683 -9.447 6.270 1.00 0.00 C ATOM 852 C LEU A 56 -5.958 -10.327 5.257 1.00 0.00 C ATOM 853 O LEU A 56 -5.228 -11.246 5.629 1.00 0.00 O ATOM 854 CB LEU A 56 -6.201 -8.000 6.144 1.00 0.00 C ATOM 855 CG LEU A 56 -6.996 -6.957 6.929 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.313 -5.600 6.857 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.422 -6.867 6.403 1.00 0.00 C ATOM 0 H LEU A 56 -5.552 -9.718 8.015 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.752 -9.487 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.161 -7.955 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.218 -7.723 5.090 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.034 -7.267 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.893 -4.870 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.312 -5.674 7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.244 -5.282 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.974 -6.120 6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.405 -6.581 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.910 -7.836 6.507 1.00 0.00 H new ATOM 869 N SER A 57 -6.162 -10.038 3.976 1.00 0.00 N ATOM 870 CA SER A 57 -5.529 -10.804 2.909 1.00 0.00 C ATOM 871 C SER A 57 -4.242 -10.128 2.445 1.00 0.00 C ATOM 872 O SER A 57 -4.228 -8.933 2.152 1.00 0.00 O ATOM 873 CB SER A 57 -6.489 -10.963 1.728 1.00 0.00 C ATOM 874 OG SER A 57 -5.987 -11.894 0.785 1.00 0.00 O ATOM 0 H SER A 57 -6.761 -9.279 3.652 1.00 0.00 H new ATOM 0 HA SER A 57 -5.280 -11.790 3.301 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.463 -11.295 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.640 -9.997 1.245 1.00 0.00 H new ATOM 0 HG SER A 57 -6.619 -11.979 0.041 1.00 0.00 H new ATOM 880 N GLN A 58 -3.164 -10.903 2.382 1.00 0.00 N ATOM 881 CA GLN A 58 -1.872 -10.380 1.955 1.00 0.00 C ATOM 882 C GLN A 58 -2.046 -9.306 0.887 1.00 0.00 C ATOM 883 O GLN A 58 -1.364 -8.280 0.906 1.00 0.00 O ATOM 884 CB GLN A 58 -0.992 -11.511 1.419 1.00 0.00 C ATOM 885 CG GLN A 58 -0.678 -12.580 2.453 1.00 0.00 C ATOM 886 CD GLN A 58 0.527 -13.420 2.078 1.00 0.00 C ATOM 887 OE1 GLN A 58 1.445 -12.944 1.409 1.00 0.00 O ATOM 888 NE2 GLN A 58 0.530 -14.676 2.507 1.00 0.00 N ATOM 0 H GLN A 58 -3.160 -11.895 2.621 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.386 -9.930 2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.490 -11.976 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.057 -11.089 1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.499 -12.105 3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.545 -13.229 2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.252 -15.028 3.059 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.315 -15.289 2.285 1.00 0.00 H new ATOM 897 N LEU A 59 -2.962 -9.547 -0.044 1.00 0.00 N ATOM 898 CA LEU A 59 -3.226 -8.599 -1.122 1.00 0.00 C ATOM 899 C LEU A 59 -3.580 -7.224 -0.564 1.00 0.00 C ATOM 900 O LEU A 59 -2.989 -6.217 -0.951 1.00 0.00 O ATOM 901 CB LEU A 59 -4.363 -9.110 -2.009 1.00 0.00 C ATOM 902 CG LEU A 59 -4.859 -8.143 -3.086 1.00 0.00 C ATOM 903 CD1 LEU A 59 -3.761 -7.864 -4.100 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.095 -8.703 -3.775 1.00 0.00 C ATOM 0 H LEU A 59 -3.535 -10.390 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.320 -8.505 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.033 -10.027 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.205 -9.374 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.129 -7.202 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.132 -7.174 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.903 -7.420 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.459 -8.797 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.435 -8.003 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.851 -9.657 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.886 -8.850 -3.040 1.00 0.00 H new ATOM 916 N GLN A 60 -4.545 -7.192 0.349 1.00 0.00 N ATOM 917 CA GLN A 60 -4.976 -5.941 0.962 1.00 0.00 C ATOM 918 C GLN A 60 -3.784 -5.030 1.233 1.00 0.00 C ATOM 919 O GLN A 60 -3.678 -3.942 0.665 1.00 0.00 O ATOM 920 CB GLN A 60 -5.728 -6.219 2.264 1.00 0.00 C ATOM 921 CG GLN A 60 -7.150 -6.713 2.053 1.00 0.00 C ATOM 922 CD GLN A 60 -8.088 -5.613 1.597 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.709 -4.744 0.811 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.321 -5.645 2.088 1.00 0.00 N ATOM 0 H GLN A 60 -5.043 -8.018 0.681 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.645 -5.436 0.266 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.176 -6.961 2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.754 -5.307 2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.147 -7.513 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.524 -7.141 2.983 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.593 -6.384 2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.997 -4.931 1.816 1.00 0.00 H new ATOM 933 N VAL A 61 -2.887 -5.480 2.105 1.00 0.00 N ATOM 934 CA VAL A 61 -1.702 -4.705 2.452 1.00 0.00 C ATOM 935 C VAL A 61 -0.976 -4.222 1.201 1.00 0.00 C ATOM 936 O VAL A 61 -0.629 -3.046 1.086 1.00 0.00 O ATOM 937 CB VAL A 61 -0.725 -5.528 3.313 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.507 -4.705 3.657 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.416 -6.022 4.575 1.00 0.00 C ATOM 0 H VAL A 61 -2.959 -6.378 2.584 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.044 -3.844 3.026 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.403 -6.396 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.186 -5.303 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.012 -4.405 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.208 -3.817 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.712 -6.602 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.767 -5.169 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.264 -6.650 4.303 1.00 0.00 H new ATOM 949 N LYS A 62 -0.750 -5.137 0.265 1.00 0.00 N ATOM 950 CA LYS A 62 -0.066 -4.805 -0.980 1.00 0.00 C ATOM 951 C LYS A 62 -0.743 -3.628 -1.675 1.00 0.00 C ATOM 952 O LYS A 62 -0.143 -2.567 -1.850 1.00 0.00 O ATOM 953 CB LYS A 62 -0.045 -6.019 -1.912 1.00 0.00 C ATOM 954 CG LYS A 62 1.075 -5.978 -2.938 1.00 0.00 C ATOM 955 CD LYS A 62 1.294 -7.338 -3.579 1.00 0.00 C ATOM 956 CE LYS A 62 0.226 -7.643 -4.618 1.00 0.00 C ATOM 957 NZ LYS A 62 0.292 -6.704 -5.773 1.00 0.00 N ATOM 0 H LYS A 62 -1.030 -6.115 0.344 1.00 0.00 H new ATOM 0 HA LYS A 62 0.959 -4.521 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.055 -6.925 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.001 -6.084 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.837 -5.245 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.997 -5.648 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.278 -7.366 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.285 -8.110 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.347 -8.666 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.759 -7.581 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.165 -7.139 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.200 -5.820 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.287 -6.497 -5.996 1.00 0.00 H new ATOM 971 N THR A 63 -1.998 -3.822 -2.070 1.00 0.00 N ATOM 972 CA THR A 63 -2.756 -2.777 -2.746 1.00 0.00 C ATOM 973 C THR A 63 -2.940 -1.561 -1.845 1.00 0.00 C ATOM 974 O THR A 63 -2.458 -0.470 -2.153 1.00 0.00 O ATOM 975 CB THR A 63 -4.140 -3.285 -3.191 1.00 0.00 C ATOM 976 OG1 THR A 63 -3.995 -4.461 -3.996 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.883 -2.215 -3.977 1.00 0.00 C ATOM 0 H THR A 63 -2.510 -4.693 -1.933 1.00 0.00 H new ATOM 0 HA THR A 63 -2.182 -2.490 -3.627 1.00 0.00 H new ATOM 0 HB THR A 63 -4.718 -3.525 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.880 -4.779 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.858 -2.597 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.018 -1.332 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.306 -1.948 -4.863 1.00 0.00 H new ATOM 985 N TRP A 64 -3.637 -1.755 -0.732 1.00 0.00 N ATOM 986 CA TRP A 64 -3.883 -0.673 0.214 1.00 0.00 C ATOM 987 C TRP A 64 -2.663 0.233 0.334 1.00 0.00 C ATOM 988 O TRP A 64 -2.779 1.457 0.275 1.00 0.00 O ATOM 989 CB TRP A 64 -4.250 -1.241 1.586 1.00 0.00 C ATOM 990 CG TRP A 64 -4.785 -0.210 2.532 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.023 0.367 2.501 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.099 0.368 3.648 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.147 1.269 3.531 1.00 0.00 N ATOM 994 CE2 TRP A 64 -4.981 1.288 4.249 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.826 0.198 4.199 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.629 2.032 5.372 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.478 0.937 5.313 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.376 1.845 5.890 1.00 0.00 C ATOM 0 H TRP A 64 -4.042 -2.651 -0.462 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.717 -0.079 -0.160 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.994 -2.027 1.458 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.368 -1.705 2.027 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.791 0.147 1.774 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.974 1.833 3.728 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.127 -0.499 3.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.320 2.732 5.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.497 0.813 5.747 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.073 2.408 6.760 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.494 -0.376 0.504 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.253 0.377 0.635 1.00 0.00 C ATOM 1011 C TYR A 65 -0.036 1.285 -0.571 1.00 0.00 C ATOM 1012 O TYR A 65 0.099 2.500 -0.430 1.00 0.00 O ATOM 1013 CB TYR A 65 0.933 -0.577 0.788 1.00 0.00 C ATOM 1014 CG TYR A 65 1.248 -0.927 2.225 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.263 -1.418 3.073 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.530 -0.766 2.735 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.546 -1.738 4.387 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.823 -1.084 4.047 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.827 -1.569 4.869 1.00 0.00 C ATOM 1020 OH TYR A 65 2.113 -1.888 6.177 1.00 0.00 O ATOM 0 H TYR A 65 -1.381 -1.388 0.554 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.329 0.999 1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.724 -1.494 0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.813 -0.125 0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.741 -1.552 2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.312 -0.385 2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.232 -2.118 5.033 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.826 -0.954 4.427 1.00 0.00 H new ATOM 0 HH TYR A 65 1.299 -2.202 6.623 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.005 0.686 -1.757 1.00 0.00 N ATOM 1031 CA GLN A 66 0.195 1.440 -2.989 1.00 0.00 C ATOM 1032 C GLN A 66 -0.726 2.654 -3.040 1.00 0.00 C ATOM 1033 O GLN A 66 -0.268 3.789 -3.161 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.052 0.546 -4.205 1.00 0.00 C ATOM 1035 CG GLN A 66 0.142 1.258 -5.534 1.00 0.00 C ATOM 1036 CD GLN A 66 -0.595 0.582 -6.672 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -0.135 -0.422 -7.216 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -1.748 1.130 -7.040 1.00 0.00 N ATOM 0 H GLN A 66 -0.116 -0.319 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 66 1.227 1.789 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.622 -0.310 -4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.068 0.155 -4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.203 2.288 -5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.206 1.298 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.093 1.962 -6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.289 0.718 -7.801 1.00 0.00 H new ATOM 1047 N ASN A 67 -2.029 2.406 -2.946 1.00 0.00 N ATOM 1048 CA ASN A 67 -3.016 3.480 -2.983 1.00 0.00 C ATOM 1049 C ASN A 67 -2.733 4.515 -1.898 1.00 0.00 C ATOM 1050 O ASN A 67 -2.848 5.718 -2.130 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.425 2.911 -2.806 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.869 2.086 -3.999 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.327 2.220 -5.096 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.860 1.227 -3.788 1.00 0.00 N ATOM 0 H ASN A 67 -2.426 1.472 -2.844 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.949 3.970 -3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.454 2.293 -1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.128 3.730 -2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.201 0.645 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.279 1.150 -2.861 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.364 4.037 -0.714 1.00 0.00 N ATOM 1062 CA ARG A 68 -2.066 4.921 0.407 1.00 0.00 C ATOM 1063 C ARG A 68 -0.952 5.899 0.047 1.00 0.00 C ATOM 1064 O ARG A 68 -1.036 7.090 0.350 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.663 4.103 1.635 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.846 3.600 2.446 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.549 4.737 3.171 1.00 0.00 C ATOM 1068 NE ARG A 68 -2.724 5.300 4.237 1.00 0.00 N ATOM 1069 CZ ARG A 68 -1.861 6.292 4.051 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -1.711 6.829 2.848 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -1.146 6.751 5.071 1.00 0.00 N ATOM 0 H ARG A 68 -2.264 3.043 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.966 5.491 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.065 3.250 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.027 4.714 2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.552 3.096 1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.504 2.861 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.802 5.520 2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.487 4.374 3.592 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.816 4.910 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.259 6.480 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.047 7.591 2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.259 6.342 5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.483 7.513 4.927 1.00 0.00 H new