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= -0.513 USER MOD Single : A 28 GLN : amide:sc= -10.5! C(o=-11!,f=-21!) 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+ -143:sc= -0.197 (180deg=-0.99) USER MOD Single : A 39 GLN : amide:sc= 0.665 K(o=0.67,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 63:sc= 0.627 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.6!) USER MOD Single : A 60 GLN : amide:sc= -1.46 K(o=-1.5,f=-5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 0:sc= -1.55! USER MOD Single : A 66 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.897 -0.900 5.087 1.00 0.00 N ATOM 320 CA PHE A 24 -12.189 -1.547 6.186 1.00 0.00 C ATOM 321 C PHE A 24 -12.810 -1.172 7.529 1.00 0.00 C ATOM 322 O PHE A 24 -13.303 -0.058 7.709 1.00 0.00 O ATOM 323 CB PHE A 24 -10.710 -1.155 6.168 1.00 0.00 C ATOM 324 CG PHE A 24 -9.946 -1.751 5.020 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.878 -1.095 3.802 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.296 -2.967 5.160 1.00 0.00 C ATOM 327 CE1 PHE A 24 -9.175 -1.640 2.743 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.592 -3.516 4.105 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.532 -2.853 2.895 1.00 0.00 C ATOM 0 HA PHE A 24 -12.274 -2.626 6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.631 -0.069 6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.248 -1.469 7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.380 -0.147 3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.340 -3.491 6.103 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.129 -1.118 1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.089 -4.464 4.227 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.984 -3.282 2.069 1.00 0.00 H new ATOM 339 N THR A 25 -12.782 -2.112 8.469 1.00 0.00 N ATOM 340 CA THR A 25 -13.343 -1.882 9.795 1.00 0.00 C ATOM 341 C THR A 25 -12.427 -0.999 10.634 1.00 0.00 C ATOM 342 O THR A 25 -11.232 -0.894 10.362 1.00 0.00 O ATOM 343 CB THR A 25 -13.582 -3.209 10.540 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.340 -3.893 10.734 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.542 -4.100 9.766 1.00 0.00 C ATOM 0 H THR A 25 -12.377 -3.039 8.337 1.00 0.00 H new ATOM 0 HA THR A 25 -14.298 -1.376 9.652 1.00 0.00 H new ATOM 0 HB THR A 25 -14.025 -2.980 11.509 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.501 -4.735 11.210 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.695 -5.031 10.312 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.497 -3.588 9.646 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.123 -4.320 8.784 1.00 0.00 H new ATOM 353 N GLU A 26 -12.996 -0.366 11.655 1.00 0.00 N ATOM 354 CA GLU A 26 -12.229 0.509 12.534 1.00 0.00 C ATOM 355 C GLU A 26 -10.961 -0.186 13.021 1.00 0.00 C ATOM 356 O GLU A 26 -9.887 0.416 13.064 1.00 0.00 O ATOM 357 CB GLU A 26 -13.080 0.939 13.731 1.00 0.00 C ATOM 358 CG GLU A 26 -14.073 2.042 13.406 1.00 0.00 C ATOM 359 CD GLU A 26 -15.113 2.229 14.494 1.00 0.00 C ATOM 360 OE1 GLU A 26 -14.799 2.891 15.506 1.00 0.00 O ATOM 361 OE2 GLU A 26 -16.239 1.714 14.335 1.00 0.00 O ATOM 0 H GLU A 26 -13.985 -0.443 11.894 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.942 1.393 11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.623 0.073 14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.422 1.278 14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.535 2.978 13.258 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.574 1.810 12.466 1.00 0.00 H new ATOM 368 N LEU A 27 -11.092 -1.456 13.387 1.00 0.00 N ATOM 369 CA LEU A 27 -9.957 -2.234 13.872 1.00 0.00 C ATOM 370 C LEU A 27 -8.914 -2.416 12.774 1.00 0.00 C ATOM 371 O LEU A 27 -7.745 -2.074 12.954 1.00 0.00 O ATOM 372 CB LEU A 27 -10.428 -3.599 14.375 1.00 0.00 C ATOM 373 CG LEU A 27 -9.510 -4.297 15.380 1.00 0.00 C ATOM 374 CD1 LEU A 27 -9.831 -3.849 16.797 1.00 0.00 C ATOM 375 CD2 LEU A 27 -9.634 -5.809 15.255 1.00 0.00 C ATOM 0 H LEU A 27 -11.973 -1.969 13.357 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.499 -1.688 14.697 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.409 -3.476 14.834 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.558 -4.256 13.515 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.480 -4.017 15.158 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.168 -4.356 17.498 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.690 -2.771 16.879 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.866 -4.098 17.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.974 -6.289 15.977 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.664 -6.107 15.451 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.353 -6.115 14.247 1.00 0.00 H new ATOM 387 N GLN A 28 -9.344 -2.955 11.639 1.00 0.00 N ATOM 388 CA GLN A 28 -8.447 -3.181 10.512 1.00 0.00 C ATOM 389 C GLN A 28 -7.706 -1.900 10.141 1.00 0.00 C ATOM 390 O GLN A 28 -6.488 -1.906 9.956 1.00 0.00 O ATOM 391 CB GLN A 28 -9.230 -3.700 9.305 1.00 0.00 C ATOM 392 CG GLN A 28 -9.838 -5.076 9.520 1.00 0.00 C ATOM 393 CD GLN A 28 -8.799 -6.180 9.520 1.00 0.00 C ATOM 394 OE1 GLN A 28 -7.604 -5.923 9.370 1.00 0.00 O ATOM 395 NE2 GLN A 28 -9.250 -7.417 9.690 1.00 0.00 N ATOM 0 H GLN A 28 -10.308 -3.244 11.475 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.713 -3.931 10.809 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.025 -2.994 9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.567 -3.736 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.375 -5.088 10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.570 -5.272 8.737 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.249 -7.584 9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.597 -8.201 9.700 1.00 0.00 H new ATOM 404 N LEU A 29 -8.449 -0.804 10.033 1.00 0.00 N ATOM 405 CA LEU A 29 -7.862 0.485 9.683 1.00 0.00 C ATOM 406 C LEU A 29 -6.865 0.936 10.746 1.00 0.00 C ATOM 407 O LEU A 29 -5.815 1.494 10.428 1.00 0.00 O ATOM 408 CB LEU A 29 -8.960 1.538 9.518 1.00 0.00 C ATOM 409 CG LEU A 29 -9.755 1.480 8.213 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.974 2.386 8.290 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.874 1.867 7.034 1.00 0.00 C ATOM 0 H LEU A 29 -9.458 -0.782 10.183 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.330 0.371 8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.658 1.440 10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.504 2.525 9.599 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.098 0.456 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.527 2.332 7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.616 2.063 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.653 3.413 8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.456 1.820 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.501 2.881 7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.033 1.177 6.967 1.00 0.00 H new ATOM 423 N MET A 30 -7.201 0.689 12.008 1.00 0.00 N ATOM 424 CA MET A 30 -6.332 1.067 13.117 1.00 0.00 C ATOM 425 C MET A 30 -4.969 0.395 12.993 1.00 0.00 C ATOM 426 O MET A 30 -3.939 0.997 13.295 1.00 0.00 O ATOM 427 CB MET A 30 -6.980 0.691 14.451 1.00 0.00 C ATOM 428 CG MET A 30 -6.092 0.959 15.655 1.00 0.00 C ATOM 429 SD MET A 30 -7.036 1.242 17.165 1.00 0.00 S ATOM 430 CE MET A 30 -7.372 -0.442 17.674 1.00 0.00 C ATOM 0 H MET A 30 -8.067 0.229 12.288 1.00 0.00 H new ATOM 0 HA MET A 30 -6.189 2.147 13.082 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.909 1.249 14.564 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.243 -0.367 14.432 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.422 0.112 15.803 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.466 1.829 15.454 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.951 -0.434 18.597 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.939 -0.951 16.895 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.431 -0.967 17.840 1.00 0.00 H new ATOM 440 N GLY A 31 -4.969 -0.858 12.547 1.00 0.00 N ATOM 441 CA GLY A 31 -3.727 -1.591 12.392 1.00 0.00 C ATOM 442 C GLY A 31 -3.032 -1.283 11.081 1.00 0.00 C ATOM 443 O GLY A 31 -1.812 -1.119 11.039 1.00 0.00 O ATOM 0 H GLY A 31 -5.808 -1.378 12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.060 -1.348 13.219 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.930 -2.660 12.450 1.00 0.00 H new ATOM 447 N LEU A 32 -3.808 -1.206 10.006 1.00 0.00 N ATOM 448 CA LEU A 32 -3.260 -0.917 8.685 1.00 0.00 C ATOM 449 C LEU A 32 -2.567 0.441 8.668 1.00 0.00 C ATOM 450 O LEU A 32 -1.440 0.567 8.190 1.00 0.00 O ATOM 451 CB LEU A 32 -4.369 -0.949 7.632 1.00 0.00 C ATOM 452 CG LEU A 32 -4.756 -2.332 7.107 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.920 -2.227 6.133 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.562 -3.004 6.443 1.00 0.00 C ATOM 0 H LEU A 32 -4.819 -1.340 10.023 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.522 -1.684 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.258 -0.481 8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.058 -0.335 6.787 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.070 -2.945 7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.181 -3.221 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.780 -1.788 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.634 -1.597 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.856 -3.987 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.218 -2.393 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.756 -3.114 7.169 1.00 0.00 H new ATOM 466 N GLU A 33 -3.248 1.454 9.195 1.00 0.00 N ATOM 467 CA GLU A 33 -2.696 2.803 9.241 1.00 0.00 C ATOM 468 C GLU A 33 -1.432 2.845 10.095 1.00 0.00 C ATOM 469 O GLU A 33 -0.461 3.521 9.755 1.00 0.00 O ATOM 470 CB GLU A 33 -3.732 3.783 9.795 1.00 0.00 C ATOM 471 CG GLU A 33 -4.929 3.986 8.882 1.00 0.00 C ATOM 472 CD GLU A 33 -5.716 5.237 9.219 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.962 5.477 10.420 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.085 5.977 8.283 1.00 0.00 O ATOM 0 H GLU A 33 -4.182 1.366 9.596 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.436 3.097 8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.081 3.421 10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.252 4.746 9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.587 4.044 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.586 3.119 8.952 1.00 0.00 H new ATOM 481 N LYS A 34 -1.452 2.118 11.207 1.00 0.00 N ATOM 482 CA LYS A 34 -0.309 2.070 12.111 1.00 0.00 C ATOM 483 C LYS A 34 0.914 1.487 11.410 1.00 0.00 C ATOM 484 O LYS A 34 1.974 2.112 11.369 1.00 0.00 O ATOM 485 CB LYS A 34 -0.647 1.235 13.349 1.00 0.00 C ATOM 486 CG LYS A 34 0.094 1.675 14.599 1.00 0.00 C ATOM 487 CD LYS A 34 -0.512 2.936 15.192 1.00 0.00 C ATOM 488 CE LYS A 34 -0.085 3.133 16.639 1.00 0.00 C ATOM 489 NZ LYS A 34 -0.428 4.493 17.138 1.00 0.00 N ATOM 0 H LYS A 34 -2.248 1.554 11.504 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.078 3.089 12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.720 1.292 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.413 0.190 13.147 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.068 0.875 15.339 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.142 1.852 14.358 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.208 3.800 14.601 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.599 2.879 15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.569 2.384 17.266 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.990 2.975 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.121 4.588 18.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.054 5.208 16.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.457 4.635 17.080 1.00 0.00 H new ATOM 503 N ARG A 35 0.760 0.287 10.860 1.00 0.00 N ATOM 504 CA ARG A 35 1.852 -0.379 10.161 1.00 0.00 C ATOM 505 C ARG A 35 2.429 0.520 9.071 1.00 0.00 C ATOM 506 O ARG A 35 3.590 0.924 9.135 1.00 0.00 O ATOM 507 CB ARG A 35 1.368 -1.694 9.549 1.00 0.00 C ATOM 508 CG ARG A 35 1.136 -2.794 10.572 1.00 0.00 C ATOM 509 CD ARG A 35 2.425 -3.533 10.897 1.00 0.00 C ATOM 510 NE ARG A 35 2.217 -4.585 11.889 1.00 0.00 N ATOM 511 CZ ARG A 35 3.209 -5.232 12.492 1.00 0.00 C ATOM 512 NH1 ARG A 35 4.469 -4.936 12.206 1.00 0.00 N ATOM 513 NH2 ARG A 35 2.940 -6.177 13.383 1.00 0.00 N ATOM 0 H ARG A 35 -0.111 -0.244 10.885 1.00 0.00 H new ATOM 0 HA ARG A 35 2.637 -0.591 10.886 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.440 -1.513 9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.102 -2.037 8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.722 -2.363 11.484 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.398 -3.499 10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.832 -3.970 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.165 -2.825 11.269 1.00 0.00 H new ATOM 0 HE ARG A 35 1.259 -4.837 12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.680 -4.210 11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.228 -5.434 12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.972 -6.407 13.606 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.702 -6.673 13.846 1.00 0.00 H new ATOM 527 N PHE A 36 1.609 0.829 8.071 1.00 0.00 N ATOM 528 CA PHE A 36 2.038 1.679 6.966 1.00 0.00 C ATOM 529 C PHE A 36 2.778 2.909 7.482 1.00 0.00 C ATOM 530 O PHE A 36 3.932 3.146 7.126 1.00 0.00 O ATOM 531 CB PHE A 36 0.832 2.109 6.129 1.00 0.00 C ATOM 532 CG PHE A 36 1.207 2.780 4.838 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.910 3.974 4.842 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.856 2.217 3.622 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.256 4.593 3.656 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.199 2.831 2.433 1.00 0.00 C ATOM 537 CZ PHE A 36 1.901 4.021 2.450 1.00 0.00 C ATOM 0 H PHE A 36 0.645 0.504 8.003 1.00 0.00 H new ATOM 0 HA PHE A 36 2.720 1.103 6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.221 1.233 5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.216 2.789 6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.191 4.426 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.308 1.287 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.804 5.524 3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.919 2.382 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.172 4.503 1.522 1.00 0.00 H new ATOM 547 N GLU A 37 2.105 3.689 8.323 1.00 0.00 N ATOM 548 CA GLU A 37 2.698 4.896 8.886 1.00 0.00 C ATOM 549 C GLU A 37 4.128 4.633 9.352 1.00 0.00 C ATOM 550 O GLU A 37 5.049 5.377 9.017 1.00 0.00 O ATOM 551 CB GLU A 37 1.855 5.407 10.056 1.00 0.00 C ATOM 552 CG GLU A 37 0.664 6.247 9.626 1.00 0.00 C ATOM 553 CD GLU A 37 1.076 7.565 8.999 1.00 0.00 C ATOM 554 OE1 GLU A 37 1.428 7.569 7.801 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.045 8.593 9.708 1.00 0.00 O ATOM 0 H GLU A 37 1.149 3.506 8.629 1.00 0.00 H new ATOM 0 HA GLU A 37 2.722 5.656 8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.498 4.555 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.487 6.000 10.717 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.064 5.682 8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.031 6.443 10.491 1.00 0.00 H new ATOM 562 N LYS A 38 4.304 3.568 10.128 1.00 0.00 N ATOM 563 CA LYS A 38 5.620 3.204 10.640 1.00 0.00 C ATOM 564 C LYS A 38 6.577 2.877 9.499 1.00 0.00 C ATOM 565 O LYS A 38 7.660 3.454 9.401 1.00 0.00 O ATOM 566 CB LYS A 38 5.508 2.006 11.586 1.00 0.00 C ATOM 567 CG LYS A 38 4.818 2.331 12.899 1.00 0.00 C ATOM 568 CD LYS A 38 5.310 1.435 14.024 1.00 0.00 C ATOM 569 CE LYS A 38 4.571 0.105 14.040 1.00 0.00 C ATOM 570 NZ LYS A 38 3.165 0.257 14.506 1.00 0.00 N ATOM 0 H LYS A 38 3.552 2.942 10.416 1.00 0.00 H new ATOM 0 HA LYS A 38 6.017 4.057 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.960 1.208 11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.507 1.624 11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.999 3.374 13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.740 2.214 12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.379 1.257 13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.173 1.940 14.980 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.577 -0.326 13.039 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.096 -0.594 14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.899 -0.567 15.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.081 1.121 15.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.532 0.324 13.684 1.00 0.00 H new ATOM 584 N GLN A 39 6.170 1.950 8.638 1.00 0.00 N ATOM 585 CA GLN A 39 6.992 1.547 7.504 1.00 0.00 C ATOM 586 C GLN A 39 6.222 1.692 6.195 1.00 0.00 C ATOM 587 O GLN A 39 5.146 1.117 6.029 1.00 0.00 O ATOM 588 CB GLN A 39 7.463 0.102 7.675 1.00 0.00 C ATOM 589 CG GLN A 39 8.788 -0.192 6.990 1.00 0.00 C ATOM 590 CD GLN A 39 9.464 -1.434 7.536 1.00 0.00 C ATOM 591 OE1 GLN A 39 10.152 -1.382 8.556 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.273 -2.559 6.858 1.00 0.00 N ATOM 0 H GLN A 39 5.276 1.464 8.704 1.00 0.00 H new ATOM 0 HA GLN A 39 7.862 2.203 7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.557 -0.117 8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.701 -0.569 7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.620 -0.315 5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.453 0.663 7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.695 -2.556 6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.704 -3.426 7.177 1.00 0.00 H new ATOM 601 N LYS A 40 6.780 2.463 5.268 1.00 0.00 N ATOM 602 CA LYS A 40 6.147 2.683 3.973 1.00 0.00 C ATOM 603 C LYS A 40 5.864 1.358 3.273 1.00 0.00 C ATOM 604 O LYS A 40 5.021 1.285 2.379 1.00 0.00 O ATOM 605 CB LYS A 40 7.039 3.558 3.089 1.00 0.00 C ATOM 606 CG LYS A 40 7.317 4.931 3.676 1.00 0.00 C ATOM 607 CD LYS A 40 6.157 5.884 3.441 1.00 0.00 C ATOM 608 CE LYS A 40 6.062 6.928 4.543 1.00 0.00 C ATOM 609 NZ LYS A 40 4.712 7.556 4.597 1.00 0.00 N ATOM 0 H LYS A 40 7.670 2.946 5.390 1.00 0.00 H new ATOM 0 HA LYS A 40 5.199 3.194 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.986 3.045 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.565 3.678 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.502 4.839 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.223 5.342 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.281 6.380 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.226 5.320 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.285 6.464 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.815 7.699 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.688 8.262 5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.509 8.021 3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.996 6.824 4.779 1.00 0.00 H new ATOM 623 N TYR A 41 6.572 0.313 3.687 1.00 0.00 N ATOM 624 CA TYR A 41 6.397 -1.010 3.099 1.00 0.00 C ATOM 625 C TYR A 41 6.631 -2.103 4.137 1.00 0.00 C ATOM 626 O TYR A 41 7.048 -1.828 5.263 1.00 0.00 O ATOM 627 CB TYR A 41 7.353 -1.198 1.920 1.00 0.00 C ATOM 628 CG TYR A 41 7.355 -0.036 0.952 1.00 0.00 C ATOM 629 CD1 TYR A 41 8.039 1.137 1.244 1.00 0.00 C ATOM 630 CD2 TYR A 41 6.673 -0.113 -0.257 1.00 0.00 C ATOM 631 CE1 TYR A 41 8.043 2.200 0.363 1.00 0.00 C ATOM 632 CE2 TYR A 41 6.673 0.945 -1.145 1.00 0.00 C ATOM 633 CZ TYR A 41 7.359 2.100 -0.831 1.00 0.00 C ATOM 634 OH TYR A 41 7.361 3.156 -1.712 1.00 0.00 O ATOM 0 H TYR A 41 7.272 0.356 4.427 1.00 0.00 H new ATOM 0 HA TYR A 41 5.370 -1.087 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.363 -1.344 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.081 -2.107 1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.577 1.219 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.134 -1.015 -0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.579 3.105 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.139 0.868 -2.080 1.00 0.00 H new ATOM 0 HH TYR A 41 6.834 2.922 -2.504 1.00 0.00 H new ATOM 644 N LEU A 42 6.361 -3.345 3.751 1.00 0.00 N ATOM 645 CA LEU A 42 6.543 -4.482 4.646 1.00 0.00 C ATOM 646 C LEU A 42 7.248 -5.630 3.932 1.00 0.00 C ATOM 647 O LEU A 42 6.965 -5.919 2.769 1.00 0.00 O ATOM 648 CB LEU A 42 5.191 -4.954 5.183 1.00 0.00 C ATOM 649 CG LEU A 42 4.373 -3.914 5.950 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.891 -4.250 5.888 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.842 -3.826 7.395 1.00 0.00 C ATOM 0 H LEU A 42 6.015 -3.590 2.823 1.00 0.00 H new ATOM 0 HA LEU A 42 7.167 -4.160 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.593 -5.310 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.361 -5.808 5.838 1.00 0.00 H new ATOM 0 HG LEU A 42 4.524 -2.942 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.324 -3.499 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.564 -4.261 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.721 -5.231 6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.249 -3.081 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.721 -4.796 7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.893 -3.537 7.420 1.00 0.00 H new ATOM 663 N SER A 43 8.167 -6.284 4.637 1.00 0.00 N ATOM 664 CA SER A 43 8.914 -7.400 4.070 1.00 0.00 C ATOM 665 C SER A 43 7.977 -8.539 3.680 1.00 0.00 C ATOM 666 O SER A 43 6.782 -8.505 3.975 1.00 0.00 O ATOM 667 CB SER A 43 9.958 -7.902 5.069 1.00 0.00 C ATOM 668 OG SER A 43 11.051 -8.509 4.403 1.00 0.00 O ATOM 0 H SER A 43 8.411 -6.060 5.602 1.00 0.00 H new ATOM 0 HA SER A 43 9.421 -7.047 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.315 -7.070 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.499 -8.619 5.750 1.00 0.00 H new ATOM 0 HG SER A 43 11.705 -8.820 5.064 1.00 0.00 H new ATOM 674 N THR A 44 8.528 -9.549 3.014 1.00 0.00 N ATOM 675 CA THR A 44 7.743 -10.699 2.582 1.00 0.00 C ATOM 676 C THR A 44 6.903 -11.252 3.727 1.00 0.00 C ATOM 677 O THR A 44 5.676 -11.318 3.653 1.00 0.00 O ATOM 678 CB THR A 44 8.645 -11.820 2.033 1.00 0.00 C ATOM 679 OG1 THR A 44 8.809 -11.669 0.619 1.00 0.00 O ATOM 680 CG2 THR A 44 8.053 -13.188 2.337 1.00 0.00 C ATOM 0 H THR A 44 9.515 -9.594 2.762 1.00 0.00 H new ATOM 0 HA THR A 44 7.084 -10.352 1.787 1.00 0.00 H new ATOM 0 HB THR A 44 9.617 -11.746 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.385 -12.385 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.707 -13.964 1.940 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.957 -13.311 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.070 -13.270 1.874 1.00 0.00 H new ATOM 688 N PRO A 45 7.577 -11.661 4.813 1.00 0.00 N ATOM 689 CA PRO A 45 6.911 -12.215 5.996 1.00 0.00 C ATOM 690 C PRO A 45 6.119 -11.161 6.762 1.00 0.00 C ATOM 691 O PRO A 45 4.974 -11.393 7.151 1.00 0.00 O ATOM 692 CB PRO A 45 8.073 -12.735 6.846 1.00 0.00 C ATOM 693 CG PRO A 45 9.244 -11.914 6.429 1.00 0.00 C ATOM 694 CD PRO A 45 9.040 -11.612 4.970 1.00 0.00 C ATOM 0 HA PRO A 45 6.182 -12.981 5.732 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.868 -12.620 7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.250 -13.796 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.304 -10.996 7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.177 -12.455 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.440 -10.634 4.702 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.537 -12.345 4.335 1.00 0.00 H new ATOM 702 N ASP A 46 6.735 -10.005 6.976 1.00 0.00 N ATOM 703 CA ASP A 46 6.087 -8.914 7.696 1.00 0.00 C ATOM 704 C ASP A 46 4.638 -8.754 7.248 1.00 0.00 C ATOM 705 O ASP A 46 3.716 -8.805 8.063 1.00 0.00 O ATOM 706 CB ASP A 46 6.849 -7.606 7.477 1.00 0.00 C ATOM 707 CG ASP A 46 8.077 -7.497 8.360 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.014 -7.950 9.522 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.101 -6.959 7.889 1.00 0.00 O ATOM 0 H ASP A 46 7.683 -9.798 6.661 1.00 0.00 H new ATOM 0 HA ASP A 46 6.096 -9.156 8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.149 -7.534 6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.186 -6.764 7.677 1.00 0.00 H new ATOM 714 N ARG A 47 4.444 -8.559 5.948 1.00 0.00 N ATOM 715 CA ARG A 47 3.107 -8.388 5.392 1.00 0.00 C ATOM 716 C ARG A 47 2.204 -9.555 5.780 1.00 0.00 C ATOM 717 O ARG A 47 1.016 -9.371 6.049 1.00 0.00 O ATOM 718 CB ARG A 47 3.176 -8.268 3.868 1.00 0.00 C ATOM 719 CG ARG A 47 1.819 -8.080 3.210 1.00 0.00 C ATOM 720 CD ARG A 47 1.947 -7.945 1.700 1.00 0.00 C ATOM 721 NE ARG A 47 2.404 -9.184 1.077 1.00 0.00 N ATOM 722 CZ ARG A 47 2.849 -9.257 -0.173 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.896 -8.168 -0.928 1.00 0.00 N ATOM 724 NH2 ARG A 47 3.247 -10.421 -0.670 1.00 0.00 N ATOM 0 H ARG A 47 5.196 -8.515 5.260 1.00 0.00 H new ATOM 0 HA ARG A 47 2.685 -7.471 5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.817 -7.426 3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.646 -9.164 3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.177 -8.928 3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.336 -7.191 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.983 -7.661 1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.646 -7.142 1.466 1.00 0.00 H new ATOM 0 HE ARG A 47 2.380 -10.040 1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.590 -7.272 -0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.238 -8.227 -1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.212 -11.261 -0.092 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.588 -10.476 -1.630 1.00 0.00 H new ATOM 738 N ILE A 48 2.774 -10.755 5.808 1.00 0.00 N ATOM 739 CA ILE A 48 2.021 -11.951 6.164 1.00 0.00 C ATOM 740 C ILE A 48 1.615 -11.927 7.633 1.00 0.00 C ATOM 741 O ILE A 48 0.432 -12.010 7.962 1.00 0.00 O ATOM 742 CB ILE A 48 2.832 -13.230 5.887 1.00 0.00 C ATOM 743 CG1 ILE A 48 3.261 -13.281 4.419 1.00 0.00 C ATOM 744 CG2 ILE A 48 2.018 -14.463 6.250 1.00 0.00 C ATOM 745 CD1 ILE A 48 4.187 -14.434 4.100 1.00 0.00 C ATOM 0 H ILE A 48 3.755 -10.925 5.588 1.00 0.00 H new ATOM 0 HA ILE A 48 1.126 -11.957 5.542 1.00 0.00 H new ATOM 0 HB ILE A 48 3.728 -13.215 6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.373 -13.355 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.757 -12.345 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.605 -15.359 6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.759 -14.429 7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.106 -14.485 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.450 -14.408 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.092 -14.351 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.687 -15.376 4.326 1.00 0.00 H new ATOM 757 N ASP A 49 2.604 -11.812 8.513 1.00 0.00 N ATOM 758 CA ASP A 49 2.350 -11.774 9.948 1.00 0.00 C ATOM 759 C ASP A 49 1.169 -10.863 10.268 1.00 0.00 C ATOM 760 O ASP A 49 0.233 -11.262 10.961 1.00 0.00 O ATOM 761 CB ASP A 49 3.596 -11.297 10.696 1.00 0.00 C ATOM 762 CG ASP A 49 3.402 -11.291 12.199 1.00 0.00 C ATOM 763 OD1 ASP A 49 2.774 -12.236 12.720 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.879 -10.342 12.856 1.00 0.00 O ATOM 0 H ASP A 49 3.589 -11.743 8.257 1.00 0.00 H new ATOM 0 HA ASP A 49 2.104 -12.784 10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.437 -11.943 10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.854 -10.292 10.362 1.00 0.00 H new ATOM 769 N LEU A 50 1.220 -9.637 9.758 1.00 0.00 N ATOM 770 CA LEU A 50 0.155 -8.667 9.990 1.00 0.00 C ATOM 771 C LEU A 50 -1.174 -9.178 9.444 1.00 0.00 C ATOM 772 O LEU A 50 -2.121 -9.401 10.198 1.00 0.00 O ATOM 773 CB LEU A 50 0.507 -7.329 9.338 1.00 0.00 C ATOM 774 CG LEU A 50 -0.667 -6.388 9.062 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.081 -5.664 10.333 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.305 -5.391 7.971 1.00 0.00 C ATOM 0 H LEU A 50 1.987 -9.291 9.181 1.00 0.00 H new ATOM 0 HA LEU A 50 0.054 -8.524 11.066 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.219 -6.811 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.016 -7.530 8.395 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.512 -6.983 8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.917 -4.999 10.117 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.382 -6.393 11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.241 -5.080 10.709 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.151 -4.729 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.555 -4.801 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.059 -5.928 7.055 1.00 0.00 H new ATOM 788 N ALA A 51 -1.236 -9.364 8.130 1.00 0.00 N ATOM 789 CA ALA A 51 -2.448 -9.853 7.484 1.00 0.00 C ATOM 790 C ALA A 51 -3.094 -10.967 8.300 1.00 0.00 C ATOM 791 O ALA A 51 -4.315 -11.120 8.301 1.00 0.00 O ATOM 792 CB ALA A 51 -2.137 -10.339 6.076 1.00 0.00 C ATOM 0 H ALA A 51 -0.461 -9.184 7.492 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.156 -9.026 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.051 -10.701 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.728 -9.516 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.408 -11.148 6.123 1.00 0.00 H new ATOM 798 N GLU A 52 -2.266 -11.744 8.992 1.00 0.00 N ATOM 799 CA GLU A 52 -2.757 -12.846 9.810 1.00 0.00 C ATOM 800 C GLU A 52 -3.256 -12.340 11.161 1.00 0.00 C ATOM 801 O GLU A 52 -4.260 -12.823 11.685 1.00 0.00 O ATOM 802 CB GLU A 52 -1.656 -13.887 10.018 1.00 0.00 C ATOM 803 CG GLU A 52 -1.612 -14.951 8.934 1.00 0.00 C ATOM 804 CD GLU A 52 -2.557 -16.104 9.210 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.784 -15.874 9.232 1.00 0.00 O ATOM 806 OE2 GLU A 52 -2.069 -17.237 9.404 1.00 0.00 O ATOM 0 H GLU A 52 -1.252 -11.630 9.002 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.591 -13.311 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.692 -13.381 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.802 -14.370 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.867 -14.499 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.595 -15.333 8.846 1.00 0.00 H new ATOM 813 N SER A 53 -2.546 -11.364 11.719 1.00 0.00 N ATOM 814 CA SER A 53 -2.913 -10.796 13.011 1.00 0.00 C ATOM 815 C SER A 53 -4.330 -10.231 12.973 1.00 0.00 C ATOM 816 O SER A 53 -5.150 -10.520 13.846 1.00 0.00 O ATOM 817 CB SER A 53 -1.925 -9.697 13.407 1.00 0.00 C ATOM 818 OG SER A 53 -0.620 -10.223 13.578 1.00 0.00 O ATOM 0 H SER A 53 -1.714 -10.951 11.297 1.00 0.00 H new ATOM 0 HA SER A 53 -2.877 -11.593 13.754 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.911 -8.923 12.640 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.254 -9.224 14.332 1.00 0.00 H new ATOM 0 HG SER A 53 -0.298 -10.583 12.725 1.00 0.00 H new ATOM 824 N LEU A 54 -4.612 -9.424 11.956 1.00 0.00 N ATOM 825 CA LEU A 54 -5.930 -8.818 11.802 1.00 0.00 C ATOM 826 C LEU A 54 -6.867 -9.740 11.028 1.00 0.00 C ATOM 827 O LEU A 54 -8.087 -9.606 11.102 1.00 0.00 O ATOM 828 CB LEU A 54 -5.813 -7.472 11.086 1.00 0.00 C ATOM 829 CG LEU A 54 -4.782 -6.496 11.653 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.413 -5.446 10.616 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.311 -5.837 12.918 1.00 0.00 C ATOM 0 H LEU A 54 -3.945 -9.174 11.226 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.348 -8.659 12.796 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.569 -7.660 10.040 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.790 -6.988 11.104 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.882 -7.056 11.908 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.678 -4.760 11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.991 -5.935 9.738 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.305 -4.890 10.328 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.564 -5.146 13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.226 -5.291 12.688 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.523 -6.602 13.665 1.00 0.00 H new ATOM 843 N GLY A 55 -6.286 -10.678 10.287 1.00 0.00 N ATOM 844 CA GLY A 55 -7.083 -11.610 9.511 1.00 0.00 C ATOM 845 C GLY A 55 -7.193 -11.207 8.054 1.00 0.00 C ATOM 846 O GLY A 55 -7.878 -11.865 7.270 1.00 0.00 O ATOM 0 H GLY A 55 -5.277 -10.809 10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.641 -12.604 9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.082 -11.676 9.943 1.00 0.00 H new ATOM 850 N LEU A 56 -6.518 -10.122 7.690 1.00 0.00 N ATOM 851 CA LEU A 56 -6.544 -9.630 6.317 1.00 0.00 C ATOM 852 C LEU A 56 -5.701 -10.516 5.405 1.00 0.00 C ATOM 853 O LEU A 56 -5.063 -11.465 5.862 1.00 0.00 O ATOM 854 CB LEU A 56 -6.034 -8.189 6.261 1.00 0.00 C ATOM 855 CG LEU A 56 -6.762 -7.185 7.155 1.00 0.00 C ATOM 856 CD1 LEU A 56 -5.984 -5.880 7.234 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.172 -6.936 6.640 1.00 0.00 C ATOM 0 H LEU A 56 -5.946 -9.566 8.326 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.576 -9.657 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.978 -8.188 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.099 -7.841 5.230 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.832 -7.605 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.517 -5.177 7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.994 -6.071 7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.883 -5.456 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.675 -6.219 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.124 -6.537 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.728 -7.873 6.635 1.00 0.00 H new ATOM 869 N SER A 57 -5.700 -10.198 4.115 1.00 0.00 N ATOM 870 CA SER A 57 -4.936 -10.966 3.138 1.00 0.00 C ATOM 871 C SER A 57 -3.733 -10.170 2.643 1.00 0.00 C ATOM 872 O SER A 57 -3.729 -8.940 2.687 1.00 0.00 O ATOM 873 CB SER A 57 -5.826 -11.356 1.956 1.00 0.00 C ATOM 874 OG SER A 57 -5.369 -12.551 1.347 1.00 0.00 O ATOM 0 H SER A 57 -6.220 -9.414 3.721 1.00 0.00 H new ATOM 0 HA SER A 57 -4.575 -11.871 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.853 -11.488 2.298 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.835 -10.550 1.222 1.00 0.00 H new ATOM 0 HG SER A 57 -5.955 -12.780 0.596 1.00 0.00 H new ATOM 880 N GLN A 58 -2.714 -10.882 2.172 1.00 0.00 N ATOM 881 CA GLN A 58 -1.504 -10.242 1.669 1.00 0.00 C ATOM 882 C GLN A 58 -1.844 -9.160 0.650 1.00 0.00 C ATOM 883 O GLN A 58 -1.103 -8.189 0.490 1.00 0.00 O ATOM 884 CB GLN A 58 -0.577 -11.282 1.036 1.00 0.00 C ATOM 885 CG GLN A 58 -0.190 -12.408 1.982 1.00 0.00 C ATOM 886 CD GLN A 58 0.999 -13.205 1.485 1.00 0.00 C ATOM 887 OE1 GLN A 58 1.758 -12.743 0.632 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.168 -14.410 2.016 1.00 0.00 N ATOM 0 H GLN A 58 -2.702 -11.901 2.128 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.993 -9.775 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.066 -11.707 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.328 -10.785 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.041 -11.991 2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.041 -13.076 2.113 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.515 -14.753 2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.951 -14.993 1.720 1.00 0.00 H new ATOM 897 N LEU A 59 -2.967 -9.333 -0.037 1.00 0.00 N ATOM 898 CA LEU A 59 -3.406 -8.370 -1.042 1.00 0.00 C ATOM 899 C LEU A 59 -3.772 -7.038 -0.396 1.00 0.00 C ATOM 900 O LEU A 59 -3.277 -5.986 -0.798 1.00 0.00 O ATOM 901 CB LEU A 59 -4.604 -8.922 -1.816 1.00 0.00 C ATOM 902 CG LEU A 59 -5.247 -7.970 -2.826 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.309 -7.722 -3.997 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.576 -8.528 -3.314 1.00 0.00 C ATOM 0 H LEU A 59 -3.591 -10.131 0.083 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.581 -8.202 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.287 -9.821 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.366 -9.227 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.436 -7.018 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.783 -7.043 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.382 -7.278 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.088 -8.667 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.019 -7.838 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.411 -9.493 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.251 -8.654 -2.467 1.00 0.00 H new ATOM 916 N GLN A 60 -4.642 -7.092 0.608 1.00 0.00 N ATOM 917 CA GLN A 60 -5.073 -5.889 1.310 1.00 0.00 C ATOM 918 C GLN A 60 -3.909 -4.922 1.499 1.00 0.00 C ATOM 919 O GLN A 60 -3.941 -3.793 1.010 1.00 0.00 O ATOM 920 CB GLN A 60 -5.674 -6.254 2.669 1.00 0.00 C ATOM 921 CG GLN A 60 -6.943 -7.086 2.569 1.00 0.00 C ATOM 922 CD GLN A 60 -8.180 -6.239 2.347 1.00 0.00 C ATOM 923 OE1 GLN A 60 -8.210 -5.382 1.463 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.211 -6.475 3.151 1.00 0.00 N ATOM 0 H GLN A 60 -5.062 -7.955 0.953 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.834 -5.398 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.933 -6.805 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.892 -5.338 3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.843 -7.798 1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.065 -7.667 3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.142 -7.195 3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.071 -5.936 3.049 1.00 0.00 H new ATOM 933 N VAL A 61 -2.881 -5.373 2.211 1.00 0.00 N ATOM 934 CA VAL A 61 -1.706 -4.548 2.464 1.00 0.00 C ATOM 935 C VAL A 61 -1.131 -3.997 1.164 1.00 0.00 C ATOM 936 O VAL A 61 -0.992 -2.785 0.998 1.00 0.00 O ATOM 937 CB VAL A 61 -0.611 -5.342 3.201 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.655 -4.509 3.333 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.108 -5.792 4.567 1.00 0.00 C ATOM 0 H VAL A 61 -2.838 -6.305 2.623 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.030 -3.720 3.094 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.373 -6.230 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.417 -5.086 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.019 -4.241 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.437 -3.602 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.322 -6.352 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.374 -4.919 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.984 -6.428 4.444 1.00 0.00 H new ATOM 949 N LYS A 62 -0.799 -4.895 0.243 1.00 0.00 N ATOM 950 CA LYS A 62 -0.241 -4.500 -1.045 1.00 0.00 C ATOM 951 C LYS A 62 -1.033 -3.346 -1.650 1.00 0.00 C ATOM 952 O LYS A 62 -0.517 -2.238 -1.803 1.00 0.00 O ATOM 953 CB LYS A 62 -0.236 -5.690 -2.008 1.00 0.00 C ATOM 954 CG LYS A 62 0.767 -5.552 -3.140 1.00 0.00 C ATOM 955 CD LYS A 62 1.123 -6.902 -3.738 1.00 0.00 C ATOM 956 CE LYS A 62 1.516 -6.778 -5.202 1.00 0.00 C ATOM 957 NZ LYS A 62 2.484 -7.834 -5.608 1.00 0.00 N ATOM 0 H LYS A 62 -0.907 -5.902 0.365 1.00 0.00 H new ATOM 0 HA LYS A 62 0.784 -4.168 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.016 -6.599 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.234 -5.809 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.355 -4.907 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.670 -5.068 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.945 -7.344 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.273 -7.578 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.624 -6.845 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.955 -5.796 -5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.727 -7.715 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.346 -7.755 -5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.056 -8.771 -5.464 1.00 0.00 H new ATOM 971 N THR A 63 -2.289 -3.611 -1.993 1.00 0.00 N ATOM 972 CA THR A 63 -3.152 -2.595 -2.581 1.00 0.00 C ATOM 973 C THR A 63 -3.347 -1.420 -1.629 1.00 0.00 C ATOM 974 O THR A 63 -2.945 -0.295 -1.926 1.00 0.00 O ATOM 975 CB THR A 63 -4.531 -3.174 -2.952 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.384 -4.178 -3.962 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.462 -2.078 -3.449 1.00 0.00 C ATOM 0 H THR A 63 -2.732 -4.522 -1.873 1.00 0.00 H new ATOM 0 HA THR A 63 -2.656 -2.247 -3.487 1.00 0.00 H new ATOM 0 HB THR A 63 -4.967 -3.620 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.264 -4.543 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.429 -2.511 -3.705 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.594 -1.331 -2.667 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.030 -1.607 -4.332 1.00 0.00 H new ATOM 985 N TRP A 64 -3.964 -1.689 -0.484 1.00 0.00 N ATOM 986 CA TRP A 64 -4.210 -0.653 0.513 1.00 0.00 C ATOM 987 C TRP A 64 -3.036 0.315 0.593 1.00 0.00 C ATOM 988 O TRP A 64 -3.224 1.531 0.638 1.00 0.00 O ATOM 989 CB TRP A 64 -4.462 -1.285 1.883 1.00 0.00 C ATOM 990 CG TRP A 64 -4.929 -0.302 2.913 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.219 -0.068 3.298 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.111 0.581 3.689 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.251 0.906 4.266 1.00 0.00 N ATOM 994 CE2 TRP A 64 -4.972 1.320 4.524 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.736 0.817 3.761 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.500 2.278 5.417 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.269 1.769 4.648 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.148 2.489 5.467 1.00 0.00 C ATOM 0 H TRP A 64 -4.303 -2.615 -0.223 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.096 -0.095 0.210 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.207 -2.074 1.780 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.544 -1.757 2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.086 -0.574 2.900 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.092 1.263 4.719 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.050 0.266 3.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.176 2.835 6.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.208 1.961 4.711 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.752 3.225 6.151 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.825 -0.230 0.611 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.620 0.587 0.688 1.00 0.00 C ATOM 1011 C TYR A 65 -0.476 1.465 -0.552 1.00 0.00 C ATOM 1012 O TYR A 65 -0.509 2.692 -0.463 1.00 0.00 O ATOM 1013 CB TYR A 65 0.615 -0.302 0.843 1.00 0.00 C ATOM 1014 CG TYR A 65 0.976 -0.593 2.282 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.045 -1.141 3.155 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.248 -0.319 2.769 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.370 -1.408 4.471 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.583 -0.583 4.083 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.640 -1.127 4.930 1.00 0.00 C ATOM 1020 OH TYR A 65 1.968 -1.392 6.240 1.00 0.00 O ATOM 0 H TYR A 65 -1.652 -1.234 0.573 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.706 1.234 1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.441 -1.244 0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.462 0.180 0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.950 -1.362 2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.988 0.108 2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.366 -1.834 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.577 -0.365 4.445 1.00 0.00 H new ATOM 0 HH TYR A 65 1.192 -1.773 6.701 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.318 0.826 -1.706 1.00 0.00 N ATOM 1031 CA GLN A 66 -0.169 1.547 -2.964 1.00 0.00 C ATOM 1032 C GLN A 66 -1.042 2.798 -2.981 1.00 0.00 C ATOM 1033 O GLN A 66 -0.549 3.908 -3.179 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.533 0.642 -4.142 1.00 0.00 C ATOM 1035 CG GLN A 66 -0.319 1.293 -5.499 1.00 0.00 C ATOM 1036 CD GLN A 66 1.104 1.145 -5.999 1.00 0.00 C ATOM 1037 OE1 GLN A 66 1.390 0.308 -6.855 1.00 0.00 O ATOM 1038 NE2 GLN A 66 2.007 1.961 -5.467 1.00 0.00 N ATOM 0 H GLN A 66 -0.290 -0.190 -1.796 1.00 0.00 H new ATOM 0 HA GLN A 66 0.873 1.851 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.063 -0.269 -4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.578 0.345 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.002 0.849 -6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.569 2.352 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.727 2.640 -4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.981 1.908 -5.766 1.00 0.00 H new ATOM 1047 N ASN A 67 -2.341 2.610 -2.770 1.00 0.00 N ATOM 1048 CA ASN A 67 -3.283 3.724 -2.762 1.00 0.00 C ATOM 1049 C ASN A 67 -2.806 4.832 -1.828 1.00 0.00 C ATOM 1050 O ASN A 67 -2.959 6.017 -2.125 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.670 3.242 -2.334 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.364 2.440 -3.418 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.985 2.499 -4.588 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -6.385 1.684 -3.033 1.00 0.00 N ATOM 0 H ASN A 67 -2.765 1.698 -2.602 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.342 4.126 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.578 2.631 -1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.286 4.102 -2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.890 1.121 -3.718 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.665 1.666 -2.052 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.228 4.438 -0.698 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.730 5.397 0.281 1.00 0.00 C ATOM 1063 C ARG A 68 -0.438 6.047 -0.205 1.00 0.00 C ATOM 1064 O ARG A 68 -0.205 7.235 0.022 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.494 4.710 1.626 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.774 4.394 2.382 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.199 5.556 3.267 1.00 0.00 C ATOM 1068 NE ARG A 68 -2.361 5.672 4.458 1.00 0.00 N ATOM 1069 CZ ARG A 68 -2.749 6.281 5.573 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -3.956 6.825 5.649 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -1.930 6.346 6.614 1.00 0.00 N ATOM 0 H ARG A 68 -2.093 3.461 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.483 6.175 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.943 3.785 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.865 5.349 2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.570 4.165 1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.626 3.504 2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.149 6.483 2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.238 5.422 3.567 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.427 5.263 4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.589 6.776 4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.252 7.292 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.001 5.928 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.229 6.814 7.470 1.00 0.00 H new