USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=11 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 Set 1.1: A 34 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0468) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 28 GLN : amide:sc= -2.22! C(o=-2.2!,f=-7.6!) USER MOD Single : A 30 MET CE :methyl 174:sc= 0 (180deg=-0.024) USER MOD Single : A 39 GLN : amide:sc= -0.0268 X(o=-0.027,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 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -4.03! C(o=-4!,f=-6.8!) 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 165:sc= -1.88! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.00075) USER MOD Single : A 67 ASN : amide:sc= -5.58! C(o=-5.6!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.663 -1.683 4.821 1.00 0.00 N ATOM 320 CA PHE A 24 -11.972 -2.049 6.051 1.00 0.00 C ATOM 321 C PHE A 24 -12.731 -1.542 7.274 1.00 0.00 C ATOM 322 O PHE A 24 -13.532 -0.611 7.180 1.00 0.00 O ATOM 323 CB PHE A 24 -10.550 -1.484 6.049 1.00 0.00 C ATOM 324 CG PHE A 24 -9.687 -2.035 4.950 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.766 -1.521 3.666 1.00 0.00 C ATOM 326 CD2 PHE A 24 -8.798 -3.067 5.201 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.973 -2.025 2.652 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.002 -3.575 4.191 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.091 -3.055 2.915 1.00 0.00 C ATOM 0 HA PHE A 24 -11.924 -3.137 6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.599 -0.399 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.081 -1.698 7.010 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.455 -0.717 3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.726 -3.479 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.043 -1.614 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.311 -4.378 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.472 -3.453 2.124 1.00 0.00 H new ATOM 339 N THR A 25 -12.474 -2.161 8.421 1.00 0.00 N ATOM 340 CA THR A 25 -13.133 -1.775 9.663 1.00 0.00 C ATOM 341 C THR A 25 -12.197 -0.969 10.555 1.00 0.00 C ATOM 342 O THR A 25 -10.989 -1.202 10.573 1.00 0.00 O ATOM 343 CB THR A 25 -13.631 -3.008 10.441 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.520 -3.709 11.011 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.414 -3.942 9.531 1.00 0.00 C ATOM 0 H THR A 25 -11.814 -2.933 8.516 1.00 0.00 H new ATOM 0 HA THR A 25 -13.988 -1.158 9.388 1.00 0.00 H new ATOM 0 HB THR A 25 -14.291 -2.665 11.238 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.845 -4.490 11.505 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.755 -4.805 10.102 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.275 -3.414 9.122 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.773 -4.277 8.715 1.00 0.00 H new ATOM 353 N GLU A 26 -12.763 -0.020 11.295 1.00 0.00 N ATOM 354 CA GLU A 26 -11.976 0.820 12.190 1.00 0.00 C ATOM 355 C GLU A 26 -10.823 0.032 12.804 1.00 0.00 C ATOM 356 O GLU A 26 -9.740 0.572 13.035 1.00 0.00 O ATOM 357 CB GLU A 26 -12.863 1.394 13.297 1.00 0.00 C ATOM 358 CG GLU A 26 -13.684 2.595 12.858 1.00 0.00 C ATOM 359 CD GLU A 26 -14.051 3.505 14.014 1.00 0.00 C ATOM 360 OE1 GLU A 26 -13.144 3.876 14.787 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.245 3.845 14.146 1.00 0.00 O ATOM 0 H GLU A 26 -13.762 0.186 11.292 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.560 1.640 11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.537 0.614 13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.236 1.682 14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.122 3.164 12.117 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.595 2.249 12.370 1.00 0.00 H new ATOM 368 N LEU A 27 -11.063 -1.248 13.066 1.00 0.00 N ATOM 369 CA LEU A 27 -10.046 -2.113 13.654 1.00 0.00 C ATOM 370 C LEU A 27 -8.940 -2.415 12.647 1.00 0.00 C ATOM 371 O LEU A 27 -7.769 -2.130 12.894 1.00 0.00 O ATOM 372 CB LEU A 27 -10.677 -3.418 14.142 1.00 0.00 C ATOM 373 CG LEU A 27 -9.855 -4.227 15.145 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.758 -5.131 15.970 1.00 0.00 C ATOM 375 CD2 LEU A 27 -8.792 -5.046 14.426 1.00 0.00 C ATOM 0 H LEU A 27 -11.953 -1.710 12.881 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.607 -1.590 14.503 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.640 -3.185 14.596 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.877 -4.048 13.275 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.356 -3.532 15.820 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.155 -5.699 16.678 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.481 -4.524 16.514 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.286 -5.819 15.309 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.216 -5.616 15.156 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.272 -5.731 13.727 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.126 -4.378 13.880 1.00 0.00 H new ATOM 387 N GLN A 28 -9.322 -2.992 11.512 1.00 0.00 N ATOM 388 CA GLN A 28 -8.362 -3.331 10.468 1.00 0.00 C ATOM 389 C GLN A 28 -7.545 -2.109 10.062 1.00 0.00 C ATOM 390 O GLN A 28 -6.321 -2.178 9.945 1.00 0.00 O ATOM 391 CB GLN A 28 -9.085 -3.904 9.248 1.00 0.00 C ATOM 392 CG GLN A 28 -9.863 -5.176 9.543 1.00 0.00 C ATOM 393 CD GLN A 28 -10.748 -5.601 8.388 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.299 -4.764 7.673 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.889 -6.908 8.200 1.00 0.00 N ATOM 0 H GLN A 28 -10.288 -3.234 11.292 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.682 -4.084 10.866 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.770 -3.152 8.856 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.354 -4.108 8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.164 -5.979 9.774 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.478 -5.024 10.430 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.413 -7.566 8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.473 -7.254 7.438 1.00 0.00 H new ATOM 404 N LEU A 29 -8.229 -0.990 9.848 1.00 0.00 N ATOM 405 CA LEU A 29 -7.567 0.248 9.454 1.00 0.00 C ATOM 406 C LEU A 29 -6.578 0.701 10.524 1.00 0.00 C ATOM 407 O LEU A 29 -5.470 1.136 10.213 1.00 0.00 O ATOM 408 CB LEU A 29 -8.602 1.346 9.204 1.00 0.00 C ATOM 409 CG LEU A 29 -9.458 1.188 7.946 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.737 2.002 8.065 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.672 1.602 6.711 1.00 0.00 C ATOM 0 H LEU A 29 -9.242 -0.915 9.941 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.017 0.059 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.266 1.395 10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.082 2.302 9.147 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.729 0.137 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.333 1.877 7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.309 1.658 8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.487 3.055 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.296 1.483 5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.370 2.645 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.786 0.975 6.617 1.00 0.00 H new ATOM 423 N MET A 30 -6.986 0.592 11.784 1.00 0.00 N ATOM 424 CA MET A 30 -6.134 0.986 12.899 1.00 0.00 C ATOM 425 C MET A 30 -4.754 0.346 12.783 1.00 0.00 C ATOM 426 O MET A 30 -3.740 0.978 13.073 1.00 0.00 O ATOM 427 CB MET A 30 -6.782 0.592 14.228 1.00 0.00 C ATOM 428 CG MET A 30 -5.907 0.875 15.438 1.00 0.00 C ATOM 429 SD MET A 30 -6.861 1.054 16.958 1.00 0.00 S ATOM 430 CE MET A 30 -7.578 -0.580 17.102 1.00 0.00 C ATOM 0 H MET A 30 -7.901 0.234 12.058 1.00 0.00 H new ATOM 0 HA MET A 30 -6.016 2.069 12.868 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.724 1.130 14.337 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.023 -0.471 14.205 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.187 0.065 15.558 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.335 1.786 15.263 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.110 -0.662 18.050 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.274 -0.746 16.279 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.787 -1.329 17.065 1.00 0.00 H new ATOM 440 N GLY A 31 -4.725 -0.914 12.357 1.00 0.00 N ATOM 441 CA GLY A 31 -3.465 -1.618 12.211 1.00 0.00 C ATOM 442 C GLY A 31 -2.751 -1.267 10.921 1.00 0.00 C ATOM 443 O GLY A 31 -1.548 -1.001 10.921 1.00 0.00 O ATOM 0 H GLY A 31 -5.551 -1.459 12.111 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.819 -1.380 13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.647 -2.692 12.241 1.00 0.00 H new ATOM 447 N LEU A 32 -3.491 -1.267 9.818 1.00 0.00 N ATOM 448 CA LEU A 32 -2.920 -0.947 8.514 1.00 0.00 C ATOM 449 C LEU A 32 -2.244 0.419 8.536 1.00 0.00 C ATOM 450 O LEU A 32 -1.115 0.571 8.070 1.00 0.00 O ATOM 451 CB LEU A 32 -4.009 -0.973 7.439 1.00 0.00 C ATOM 452 CG LEU A 32 -4.504 -2.358 7.019 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.778 -2.242 6.197 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.427 -3.094 6.235 1.00 0.00 C ATOM 0 H LEU A 32 -4.487 -1.485 9.800 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.168 -1.700 8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.862 -0.398 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.631 -0.461 6.554 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.727 -2.932 7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.116 -3.237 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.551 -1.755 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.581 -1.651 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.796 -4.077 5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.173 -2.523 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.539 -3.209 6.857 1.00 0.00 H new ATOM 466 N GLU A 33 -2.941 1.411 9.082 1.00 0.00 N ATOM 467 CA GLU A 33 -2.406 2.764 9.166 1.00 0.00 C ATOM 468 C GLU A 33 -1.172 2.807 10.062 1.00 0.00 C ATOM 469 O GLU A 33 -0.166 3.432 9.724 1.00 0.00 O ATOM 470 CB GLU A 33 -3.471 3.725 9.699 1.00 0.00 C ATOM 471 CG GLU A 33 -4.739 3.753 8.863 1.00 0.00 C ATOM 472 CD GLU A 33 -5.940 4.256 9.641 1.00 0.00 C ATOM 473 OE1 GLU A 33 -6.473 3.489 10.469 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.346 5.417 9.421 1.00 0.00 O ATOM 0 H GLU A 33 -3.877 1.302 9.472 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.116 3.075 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.725 3.442 10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.052 4.730 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.582 4.390 7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.946 2.750 8.490 1.00 0.00 H new ATOM 481 N LYS A 34 -1.257 2.140 11.208 1.00 0.00 N ATOM 482 CA LYS A 34 -0.148 2.100 12.154 1.00 0.00 C ATOM 483 C LYS A 34 1.111 1.547 11.494 1.00 0.00 C ATOM 484 O LYS A 34 2.160 2.191 11.500 1.00 0.00 O ATOM 485 CB LYS A 34 -0.518 1.245 13.369 1.00 0.00 C ATOM 486 CG LYS A 34 0.274 1.588 14.618 1.00 0.00 C ATOM 487 CD LYS A 34 1.716 1.121 14.510 1.00 0.00 C ATOM 488 CE LYS A 34 2.378 1.038 15.877 1.00 0.00 C ATOM 489 NZ LYS A 34 3.483 0.039 15.898 1.00 0.00 N ATOM 0 H LYS A 34 -2.083 1.620 11.504 1.00 0.00 H new ATOM 0 HA LYS A 34 0.054 3.120 12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.581 1.367 13.578 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.359 0.195 13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.251 2.666 14.780 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.195 1.125 15.486 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.748 0.143 14.029 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.275 1.808 13.875 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.769 2.018 16.151 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.633 0.771 16.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.135 0.258 16.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.088 -0.913 16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.999 0.073 14.996 1.00 0.00 H new ATOM 503 N ARG A 35 0.999 0.351 10.925 1.00 0.00 N ATOM 504 CA ARG A 35 2.128 -0.288 10.261 1.00 0.00 C ATOM 505 C ARG A 35 2.603 0.545 9.074 1.00 0.00 C ATOM 506 O ARG A 35 3.779 0.898 8.981 1.00 0.00 O ATOM 507 CB ARG A 35 1.743 -1.692 9.791 1.00 0.00 C ATOM 508 CG ARG A 35 1.858 -2.750 10.875 1.00 0.00 C ATOM 509 CD ARG A 35 3.241 -2.752 11.508 1.00 0.00 C ATOM 510 NE ARG A 35 3.560 -4.037 12.123 1.00 0.00 N ATOM 511 CZ ARG A 35 4.798 -4.432 12.401 1.00 0.00 C ATOM 512 NH1 ARG A 35 5.827 -3.644 12.121 1.00 0.00 N ATOM 513 NH2 ARG A 35 5.008 -5.616 12.961 1.00 0.00 N ATOM 0 H ARG A 35 0.137 -0.195 10.911 1.00 0.00 H new ATOM 0 HA ARG A 35 2.944 -0.364 10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.718 -1.674 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.380 -1.973 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.106 -2.569 11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.650 -3.732 10.450 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.987 -2.518 10.749 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.296 -1.966 12.261 1.00 0.00 H new ATOM 0 HE ARG A 35 2.790 -4.666 12.352 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.669 -2.732 11.691 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.776 -3.949 12.335 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.219 -6.224 13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.959 -5.918 13.174 1.00 0.00 H new ATOM 527 N PHE A 36 1.681 0.857 8.169 1.00 0.00 N ATOM 528 CA PHE A 36 2.006 1.647 6.988 1.00 0.00 C ATOM 529 C PHE A 36 2.795 2.896 7.369 1.00 0.00 C ATOM 530 O PHE A 36 3.790 3.233 6.729 1.00 0.00 O ATOM 531 CB PHE A 36 0.727 2.044 6.247 1.00 0.00 C ATOM 532 CG PHE A 36 0.976 2.892 5.033 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.479 4.177 5.161 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.709 2.405 3.764 1.00 0.00 C ATOM 535 CE1 PHE A 36 1.709 4.960 4.045 1.00 0.00 C ATOM 536 CE2 PHE A 36 0.937 3.183 2.644 1.00 0.00 C ATOM 537 CZ PHE A 36 1.439 4.462 2.785 1.00 0.00 C ATOM 0 H PHE A 36 0.703 0.575 8.231 1.00 0.00 H new ATOM 0 HA PHE A 36 2.624 1.035 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.196 1.141 5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.074 2.586 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.694 4.571 6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.318 1.405 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.100 5.961 4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.723 2.791 1.661 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.620 5.072 1.912 1.00 0.00 H new ATOM 547 N GLU A 37 2.341 3.579 8.415 1.00 0.00 N ATOM 548 CA GLU A 37 3.004 4.792 8.881 1.00 0.00 C ATOM 549 C GLU A 37 4.435 4.495 9.320 1.00 0.00 C ATOM 550 O GLU A 37 5.384 5.123 8.849 1.00 0.00 O ATOM 551 CB GLU A 37 2.222 5.414 10.039 1.00 0.00 C ATOM 552 CG GLU A 37 1.129 6.370 9.592 1.00 0.00 C ATOM 553 CD GLU A 37 1.680 7.618 8.931 1.00 0.00 C ATOM 554 OE1 GLU A 37 1.893 7.595 7.701 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.897 8.620 9.645 1.00 0.00 O ATOM 0 H GLU A 37 1.518 3.314 8.956 1.00 0.00 H new ATOM 0 HA GLU A 37 3.036 5.500 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.775 4.617 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.915 5.947 10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.466 5.857 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.527 6.656 10.454 1.00 0.00 H new ATOM 562 N LYS A 38 4.583 3.534 10.225 1.00 0.00 N ATOM 563 CA LYS A 38 5.897 3.152 10.729 1.00 0.00 C ATOM 564 C LYS A 38 6.829 2.770 9.583 1.00 0.00 C ATOM 565 O LYS A 38 7.890 3.367 9.409 1.00 0.00 O ATOM 566 CB LYS A 38 5.771 1.984 11.709 1.00 0.00 C ATOM 567 CG LYS A 38 5.105 2.361 13.021 1.00 0.00 C ATOM 568 CD LYS A 38 5.988 3.276 13.853 1.00 0.00 C ATOM 569 CE LYS A 38 5.277 3.743 15.113 1.00 0.00 C ATOM 570 NZ LYS A 38 5.457 2.785 16.239 1.00 0.00 N ATOM 0 H LYS A 38 3.808 3.005 10.625 1.00 0.00 H new ATOM 0 HA LYS A 38 6.322 4.010 11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.199 1.185 11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.764 1.586 11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.155 2.856 12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.879 1.458 13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.904 2.751 14.124 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.281 4.141 13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.659 4.721 15.404 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.214 3.865 14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.755 2.985 16.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.327 1.813 15.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.414 2.887 16.632 1.00 0.00 H new ATOM 584 N GLN A 39 6.422 1.772 8.804 1.00 0.00 N ATOM 585 CA GLN A 39 7.221 1.312 7.675 1.00 0.00 C ATOM 586 C GLN A 39 6.450 1.456 6.367 1.00 0.00 C ATOM 587 O GLN A 39 5.546 0.673 6.077 1.00 0.00 O ATOM 588 CB GLN A 39 7.636 -0.147 7.877 1.00 0.00 C ATOM 589 CG GLN A 39 8.945 -0.508 7.195 1.00 0.00 C ATOM 590 CD GLN A 39 9.536 -1.804 7.714 1.00 0.00 C ATOM 591 OE1 GLN A 39 10.716 -1.865 8.063 1.00 0.00 O ATOM 592 NE2 GLN A 39 8.718 -2.848 7.769 1.00 0.00 N ATOM 0 H GLN A 39 5.545 1.268 8.934 1.00 0.00 H new ATOM 0 HA GLN A 39 8.115 1.933 7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.726 -0.346 8.945 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.847 -0.796 7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.779 -0.593 6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.662 0.299 7.344 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.748 -2.752 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.060 -3.746 8.111 1.00 0.00 H new ATOM 601 N LYS A 40 6.812 2.464 5.581 1.00 0.00 N ATOM 602 CA LYS A 40 6.156 2.712 4.303 1.00 0.00 C ATOM 603 C LYS A 40 5.815 1.401 3.602 1.00 0.00 C ATOM 604 O LYS A 40 4.849 1.325 2.842 1.00 0.00 O ATOM 605 CB LYS A 40 7.052 3.566 3.402 1.00 0.00 C ATOM 606 CG LYS A 40 7.215 4.996 3.886 1.00 0.00 C ATOM 607 CD LYS A 40 5.965 5.819 3.624 1.00 0.00 C ATOM 608 CE LYS A 40 5.912 7.052 4.513 1.00 0.00 C ATOM 609 NZ LYS A 40 4.536 7.615 4.600 1.00 0.00 N ATOM 0 H LYS A 40 7.557 3.123 5.807 1.00 0.00 H new ATOM 0 HA LYS A 40 5.229 3.251 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.035 3.100 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.635 3.577 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.435 4.997 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.066 5.456 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.941 6.123 2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.081 5.205 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.263 6.794 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.591 7.810 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.542 8.454 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.211 7.885 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.893 6.900 4.996 1.00 0.00 H new ATOM 623 N TYR A 41 6.611 0.371 3.865 1.00 0.00 N ATOM 624 CA TYR A 41 6.394 -0.937 3.259 1.00 0.00 C ATOM 625 C TYR A 41 6.460 -2.042 4.309 1.00 0.00 C ATOM 626 O TYR A 41 6.605 -1.773 5.502 1.00 0.00 O ATOM 627 CB TYR A 41 7.432 -1.195 2.165 1.00 0.00 C ATOM 628 CG TYR A 41 7.221 -0.360 0.922 1.00 0.00 C ATOM 629 CD1 TYR A 41 7.438 1.012 0.937 1.00 0.00 C ATOM 630 CD2 TYR A 41 6.806 -0.944 -0.268 1.00 0.00 C ATOM 631 CE1 TYR A 41 7.246 1.778 -0.196 1.00 0.00 C ATOM 632 CE2 TYR A 41 6.613 -0.186 -1.407 1.00 0.00 C ATOM 633 CZ TYR A 41 6.834 1.175 -1.366 1.00 0.00 C ATOM 634 OH TYR A 41 6.643 1.934 -2.497 1.00 0.00 O ATOM 0 H TYR A 41 7.413 0.417 4.494 1.00 0.00 H new ATOM 0 HA TYR A 41 5.399 -0.942 2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.426 -0.993 2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.406 -2.250 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.762 1.488 1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.631 -2.009 -0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.418 2.844 -0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.291 -0.656 -2.324 1.00 0.00 H new ATOM 0 HH TYR A 41 6.354 1.356 -3.234 1.00 0.00 H new ATOM 644 N LEU A 42 6.354 -3.286 3.856 1.00 0.00 N ATOM 645 CA LEU A 42 6.402 -4.434 4.755 1.00 0.00 C ATOM 646 C LEU A 42 7.131 -5.605 4.104 1.00 0.00 C ATOM 647 O LEU A 42 6.972 -5.862 2.911 1.00 0.00 O ATOM 648 CB LEU A 42 4.986 -4.857 5.151 1.00 0.00 C ATOM 649 CG LEU A 42 4.191 -3.846 5.977 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.708 -4.181 5.947 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.701 -3.808 7.411 1.00 0.00 C ATOM 0 H LEU A 42 6.234 -3.526 2.872 1.00 0.00 H new ATOM 0 HA LEU A 42 6.950 -4.140 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.425 -5.074 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.051 -5.787 5.716 1.00 0.00 H new ATOM 0 HG LEU A 42 4.329 -2.858 5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.158 -3.451 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.350 -4.156 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.552 -5.177 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.123 -3.083 7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.594 -4.795 7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.752 -3.519 7.416 1.00 0.00 H new ATOM 663 N SER A 43 7.930 -6.313 4.897 1.00 0.00 N ATOM 664 CA SER A 43 8.685 -7.456 4.397 1.00 0.00 C ATOM 665 C SER A 43 7.751 -8.607 4.034 1.00 0.00 C ATOM 666 O SER A 43 6.579 -8.616 4.414 1.00 0.00 O ATOM 667 CB SER A 43 9.701 -7.919 5.442 1.00 0.00 C ATOM 668 OG SER A 43 10.484 -6.833 5.909 1.00 0.00 O ATOM 0 H SER A 43 8.071 -6.115 5.888 1.00 0.00 H new ATOM 0 HA SER A 43 9.216 -7.144 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.180 -8.382 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.350 -8.680 5.010 1.00 0.00 H new ATOM 0 HG SER A 43 11.124 -7.155 6.577 1.00 0.00 H new ATOM 674 N THR A 44 8.279 -9.579 3.296 1.00 0.00 N ATOM 675 CA THR A 44 7.494 -10.735 2.881 1.00 0.00 C ATOM 676 C THR A 44 6.726 -11.329 4.055 1.00 0.00 C ATOM 677 O THR A 44 5.498 -11.418 4.044 1.00 0.00 O ATOM 678 CB THR A 44 8.387 -11.826 2.260 1.00 0.00 C ATOM 679 OG1 THR A 44 8.474 -11.641 0.843 1.00 0.00 O ATOM 680 CG2 THR A 44 7.837 -13.212 2.563 1.00 0.00 C ATOM 0 H THR A 44 9.247 -9.588 2.974 1.00 0.00 H new ATOM 0 HA THR A 44 6.787 -10.384 2.130 1.00 0.00 H new ATOM 0 HB THR A 44 9.382 -11.743 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.045 -12.338 0.457 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.484 -13.966 2.115 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.800 -13.361 3.642 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.833 -13.303 2.150 1.00 0.00 H new ATOM 688 N PRO A 45 7.464 -11.747 5.095 1.00 0.00 N ATOM 689 CA PRO A 45 6.872 -12.339 6.298 1.00 0.00 C ATOM 690 C PRO A 45 6.101 -11.318 7.128 1.00 0.00 C ATOM 691 O PRO A 45 5.230 -11.679 7.920 1.00 0.00 O ATOM 692 CB PRO A 45 8.087 -12.853 7.075 1.00 0.00 C ATOM 693 CG PRO A 45 9.218 -12.000 6.616 1.00 0.00 C ATOM 694 CD PRO A 45 8.932 -11.672 5.177 1.00 0.00 C ATOM 0 HA PRO A 45 6.145 -13.114 6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.935 -12.764 8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.275 -13.906 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.291 -11.093 7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.168 -12.525 6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.299 -10.681 4.910 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.409 -12.381 4.501 1.00 0.00 H new ATOM 702 N ASP A 46 6.428 -10.044 6.943 1.00 0.00 N ATOM 703 CA ASP A 46 5.765 -8.971 7.674 1.00 0.00 C ATOM 704 C ASP A 46 4.295 -8.872 7.280 1.00 0.00 C ATOM 705 O ASP A 46 3.413 -8.834 8.138 1.00 0.00 O ATOM 706 CB ASP A 46 6.467 -7.637 7.412 1.00 0.00 C ATOM 707 CG ASP A 46 7.601 -7.379 8.384 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.288 -8.350 8.766 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.802 -6.206 8.765 1.00 0.00 O ATOM 0 H ASP A 46 7.148 -9.729 6.293 1.00 0.00 H new ATOM 0 HA ASP A 46 5.822 -9.200 8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.856 -7.628 6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.741 -6.827 7.483 1.00 0.00 H new ATOM 714 N ARG A 47 4.039 -8.829 5.976 1.00 0.00 N ATOM 715 CA ARG A 47 2.676 -8.732 5.468 1.00 0.00 C ATOM 716 C ARG A 47 1.857 -9.955 5.871 1.00 0.00 C ATOM 717 O ARG A 47 0.669 -9.846 6.176 1.00 0.00 O ATOM 718 CB ARG A 47 2.685 -8.590 3.945 1.00 0.00 C ATOM 719 CG ARG A 47 1.379 -8.062 3.375 1.00 0.00 C ATOM 720 CD ARG A 47 1.538 -7.630 1.925 1.00 0.00 C ATOM 721 NE ARG A 47 1.918 -8.745 1.061 1.00 0.00 N ATOM 722 CZ ARG A 47 2.282 -8.599 -0.208 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.317 -7.393 -0.757 1.00 0.00 N ATOM 724 NH2 ARG A 47 2.613 -9.662 -0.931 1.00 0.00 N ATOM 0 H ARG A 47 4.758 -8.860 5.253 1.00 0.00 H new ATOM 0 HA ARG A 47 2.214 -7.847 5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.495 -7.920 3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.900 -9.561 3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.612 -8.834 3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.035 -7.217 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.602 -7.199 1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.294 -6.847 1.861 1.00 0.00 H new ATOM 0 HE ARG A 47 1.903 -9.686 1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.064 -6.574 -0.205 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.597 -7.284 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.588 -10.592 -0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.892 -9.549 -1.905 1.00 0.00 H new ATOM 738 N ILE A 48 2.501 -11.118 5.869 1.00 0.00 N ATOM 739 CA ILE A 48 1.832 -12.360 6.234 1.00 0.00 C ATOM 740 C ILE A 48 1.526 -12.401 7.727 1.00 0.00 C ATOM 741 O ILE A 48 0.430 -12.786 8.136 1.00 0.00 O ATOM 742 CB ILE A 48 2.685 -13.588 5.862 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.873 -13.665 4.346 1.00 0.00 C ATOM 744 CG2 ILE A 48 2.036 -14.861 6.386 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.733 -14.828 3.902 1.00 0.00 C ATOM 0 H ILE A 48 3.484 -11.225 5.619 1.00 0.00 H new ATOM 0 HA ILE A 48 0.898 -12.393 5.673 1.00 0.00 H new ATOM 0 HB ILE A 48 3.666 -13.485 6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.895 -13.744 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.323 -12.736 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.650 -15.720 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.948 -14.805 7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.044 -14.971 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.823 -14.820 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.723 -14.740 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.273 -15.763 4.221 1.00 0.00 H new ATOM 757 N ASP A 49 2.500 -12.001 8.537 1.00 0.00 N ATOM 758 CA ASP A 49 2.334 -11.989 9.986 1.00 0.00 C ATOM 759 C ASP A 49 1.276 -10.972 10.403 1.00 0.00 C ATOM 760 O ASP A 49 0.491 -11.218 11.319 1.00 0.00 O ATOM 761 CB ASP A 49 3.664 -11.669 10.670 1.00 0.00 C ATOM 762 CG ASP A 49 4.455 -12.917 11.009 1.00 0.00 C ATOM 763 OD1 ASP A 49 4.465 -13.855 10.185 1.00 0.00 O ATOM 764 OD2 ASP A 49 5.064 -12.957 12.099 1.00 0.00 O ATOM 0 H ASP A 49 3.413 -11.681 8.215 1.00 0.00 H new ATOM 0 HA ASP A 49 2.003 -12.980 10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.260 -11.030 10.018 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.473 -11.104 11.582 1.00 0.00 H new ATOM 769 N LEU A 50 1.262 -9.829 9.726 1.00 0.00 N ATOM 770 CA LEU A 50 0.301 -8.774 10.027 1.00 0.00 C ATOM 771 C LEU A 50 -1.098 -9.160 9.555 1.00 0.00 C ATOM 772 O LEU A 50 -2.049 -9.159 10.335 1.00 0.00 O ATOM 773 CB LEU A 50 0.730 -7.462 9.366 1.00 0.00 C ATOM 774 CG LEU A 50 -0.329 -6.361 9.309 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.459 -5.674 10.659 1.00 0.00 C ATOM 776 CD2 LEU A 50 0.011 -5.350 8.224 1.00 0.00 C ATOM 0 H LEU A 50 1.905 -9.609 8.965 1.00 0.00 H new ATOM 0 HA LEU A 50 0.275 -8.638 11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.598 -7.076 9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.054 -7.680 8.348 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.288 -6.818 9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.217 -4.893 10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.750 -6.405 11.413 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.497 -5.230 10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.754 -4.574 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.980 -4.898 8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.051 -5.853 7.258 1.00 0.00 H new ATOM 788 N ALA A 51 -1.213 -9.491 8.273 1.00 0.00 N ATOM 789 CA ALA A 51 -2.494 -9.884 7.698 1.00 0.00 C ATOM 790 C ALA A 51 -3.165 -10.964 8.540 1.00 0.00 C ATOM 791 O ALA A 51 -4.392 -11.046 8.595 1.00 0.00 O ATOM 792 CB ALA A 51 -2.304 -10.368 6.268 1.00 0.00 C ATOM 0 H ALA A 51 -0.435 -9.495 7.613 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.145 -9.010 7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.268 -10.658 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.875 -9.567 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.632 -11.226 6.261 1.00 0.00 H new ATOM 798 N GLU A 52 -2.353 -11.789 9.192 1.00 0.00 N ATOM 799 CA GLU A 52 -2.871 -12.865 10.030 1.00 0.00 C ATOM 800 C GLU A 52 -3.363 -12.324 11.369 1.00 0.00 C ATOM 801 O GLU A 52 -4.299 -12.860 11.961 1.00 0.00 O ATOM 802 CB GLU A 52 -1.792 -13.925 10.261 1.00 0.00 C ATOM 803 CG GLU A 52 -1.775 -15.017 9.204 1.00 0.00 C ATOM 804 CD GLU A 52 -2.802 -16.100 9.468 1.00 0.00 C ATOM 805 OE1 GLU A 52 -2.730 -16.737 10.540 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.677 -16.312 8.603 1.00 0.00 O ATOM 0 H GLU A 52 -1.335 -11.734 9.157 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.714 -13.321 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.817 -13.439 10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.946 -14.380 11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.963 -14.574 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.782 -15.465 9.165 1.00 0.00 H new ATOM 813 N SER A 53 -2.724 -11.257 11.840 1.00 0.00 N ATOM 814 CA SER A 53 -3.092 -10.645 13.111 1.00 0.00 C ATOM 815 C SER A 53 -4.399 -9.868 12.981 1.00 0.00 C ATOM 816 O SER A 53 -5.304 -10.011 13.804 1.00 0.00 O ATOM 817 CB SER A 53 -1.979 -9.715 13.596 1.00 0.00 C ATOM 818 OG SER A 53 -2.340 -9.074 14.807 1.00 0.00 O ATOM 0 H SER A 53 -1.949 -10.799 11.360 1.00 0.00 H new ATOM 0 HA SER A 53 -3.233 -11.441 13.842 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.062 -10.286 13.743 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.769 -8.965 12.833 1.00 0.00 H new ATOM 0 HG SER A 53 -1.611 -8.487 15.096 1.00 0.00 H new ATOM 824 N LEU A 54 -4.490 -9.046 11.942 1.00 0.00 N ATOM 825 CA LEU A 54 -5.685 -8.245 11.702 1.00 0.00 C ATOM 826 C LEU A 54 -6.759 -9.066 10.996 1.00 0.00 C ATOM 827 O LEU A 54 -7.946 -8.752 11.072 1.00 0.00 O ATOM 828 CB LEU A 54 -5.338 -7.012 10.866 1.00 0.00 C ATOM 829 CG LEU A 54 -4.345 -6.033 11.493 1.00 0.00 C ATOM 830 CD1 LEU A 54 -3.944 -4.962 10.491 1.00 0.00 C ATOM 831 CD2 LEU A 54 -4.937 -5.400 12.744 1.00 0.00 C ATOM 0 H LEU A 54 -3.750 -8.916 11.252 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.076 -7.923 12.667 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.933 -7.348 9.911 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.261 -6.474 10.649 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.451 -6.587 11.778 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.237 -4.275 10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.478 -5.431 9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.829 -4.411 10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.216 -4.706 13.177 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.848 -4.861 12.483 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.172 -6.179 13.470 1.00 0.00 H new ATOM 843 N GLY A 55 -6.333 -10.123 10.310 1.00 0.00 N ATOM 844 CA GLY A 55 -7.270 -10.975 9.602 1.00 0.00 C ATOM 845 C GLY A 55 -7.573 -10.469 8.206 1.00 0.00 C ATOM 846 O GLY A 55 -8.686 -10.633 7.706 1.00 0.00 O ATOM 0 H GLY A 55 -5.356 -10.404 10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.863 -11.984 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.198 -11.041 10.171 1.00 0.00 H new ATOM 850 N LEU A 56 -6.581 -9.850 7.575 1.00 0.00 N ATOM 851 CA LEU A 56 -6.747 -9.316 6.227 1.00 0.00 C ATOM 852 C LEU A 56 -6.017 -10.182 5.205 1.00 0.00 C ATOM 853 O LEU A 56 -5.347 -11.151 5.562 1.00 0.00 O ATOM 854 CB LEU A 56 -6.227 -7.879 6.159 1.00 0.00 C ATOM 855 CG LEU A 56 -7.051 -6.832 6.909 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.305 -5.508 6.967 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.411 -6.652 6.252 1.00 0.00 C ATOM 0 H LEU A 56 -5.654 -9.705 7.975 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.811 -9.323 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.211 -7.862 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.168 -7.584 5.111 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.207 -7.183 7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.906 -4.775 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.356 -5.648 7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.118 -5.151 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.983 -5.903 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.277 -6.324 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.949 -7.600 6.264 1.00 0.00 H new ATOM 869 N SER A 57 -6.150 -9.824 3.932 1.00 0.00 N ATOM 870 CA SER A 57 -5.504 -10.569 2.857 1.00 0.00 C ATOM 871 C SER A 57 -4.233 -9.863 2.395 1.00 0.00 C ATOM 872 O SER A 57 -4.240 -8.661 2.130 1.00 0.00 O ATOM 873 CB SER A 57 -6.464 -10.739 1.678 1.00 0.00 C ATOM 874 OG SER A 57 -7.543 -11.594 2.018 1.00 0.00 O ATOM 0 H SER A 57 -6.699 -9.023 3.620 1.00 0.00 H new ATOM 0 HA SER A 57 -5.233 -11.553 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.849 -9.765 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.926 -11.149 0.823 1.00 0.00 H new ATOM 0 HG SER A 57 -8.143 -11.685 1.249 1.00 0.00 H new ATOM 880 N GLN A 58 -3.145 -10.620 2.300 1.00 0.00 N ATOM 881 CA GLN A 58 -1.866 -10.067 1.870 1.00 0.00 C ATOM 882 C GLN A 58 -2.066 -9.005 0.795 1.00 0.00 C ATOM 883 O GLN A 58 -1.290 -8.053 0.696 1.00 0.00 O ATOM 884 CB GLN A 58 -0.957 -11.179 1.343 1.00 0.00 C ATOM 885 CG GLN A 58 -0.683 -12.275 2.361 1.00 0.00 C ATOM 886 CD GLN A 58 -0.426 -13.621 1.713 1.00 0.00 C ATOM 887 OE1 GLN A 58 -1.295 -14.494 1.702 1.00 0.00 O ATOM 888 NE2 GLN A 58 0.773 -13.798 1.170 1.00 0.00 N ATOM 0 H GLN A 58 -3.123 -11.617 2.515 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.393 -9.599 2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.415 -11.622 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.009 -10.743 1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.180 -11.996 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.533 -12.358 3.038 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.463 -13.048 1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.004 -14.684 0.721 1.00 0.00 H new ATOM 897 N LEU A 59 -3.109 -9.174 -0.010 1.00 0.00 N ATOM 898 CA LEU A 59 -3.411 -8.229 -1.080 1.00 0.00 C ATOM 899 C LEU A 59 -3.787 -6.864 -0.511 1.00 0.00 C ATOM 900 O LEU A 59 -3.268 -5.837 -0.945 1.00 0.00 O ATOM 901 CB LEU A 59 -4.550 -8.762 -1.951 1.00 0.00 C ATOM 902 CG LEU A 59 -5.125 -7.784 -2.976 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.057 -7.371 -3.977 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.318 -8.401 -3.691 1.00 0.00 C ATOM 0 H LEU A 59 -3.760 -9.956 0.058 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.517 -8.113 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.193 -9.645 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.358 -9.089 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.464 -6.892 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.484 -6.675 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.233 -6.888 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.687 -8.253 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.714 -7.691 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.004 -9.309 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.092 -8.646 -2.963 1.00 0.00 H new ATOM 916 N GLN A 60 -4.691 -6.864 0.464 1.00 0.00 N ATOM 917 CA GLN A 60 -5.134 -5.625 1.092 1.00 0.00 C ATOM 918 C GLN A 60 -3.953 -4.699 1.363 1.00 0.00 C ATOM 919 O GLN A 60 -3.908 -3.572 0.868 1.00 0.00 O ATOM 920 CB GLN A 60 -5.871 -5.927 2.399 1.00 0.00 C ATOM 921 CG GLN A 60 -7.191 -6.654 2.199 1.00 0.00 C ATOM 922 CD GLN A 60 -8.271 -5.756 1.630 1.00 0.00 C ATOM 923 OE1 GLN A 60 -8.094 -5.143 0.577 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.400 -5.674 2.325 1.00 0.00 N ATOM 0 H GLN A 60 -5.130 -7.707 0.835 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.816 -5.123 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.227 -6.530 3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.057 -4.991 2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.037 -7.500 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.526 -7.059 3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.504 -6.200 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.163 -5.086 1.991 1.00 0.00 H new ATOM 933 N VAL A 61 -2.998 -5.180 2.152 1.00 0.00 N ATOM 934 CA VAL A 61 -1.816 -4.396 2.488 1.00 0.00 C ATOM 935 C VAL A 61 -1.095 -3.922 1.231 1.00 0.00 C ATOM 936 O VAL A 61 -0.783 -2.740 1.089 1.00 0.00 O ATOM 937 CB VAL A 61 -0.834 -5.205 3.356 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.391 -4.369 3.695 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.521 -5.696 4.621 1.00 0.00 C ATOM 0 H VAL A 61 -3.020 -6.110 2.571 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.161 -3.530 3.054 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.505 -6.075 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.074 -4.956 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.894 -4.071 2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.084 -3.479 4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.812 -6.266 5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.880 -4.842 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.364 -6.333 4.353 1.00 0.00 H new ATOM 949 N LYS A 62 -0.834 -4.853 0.320 1.00 0.00 N ATOM 950 CA LYS A 62 -0.151 -4.533 -0.928 1.00 0.00 C ATOM 951 C LYS A 62 -0.818 -3.352 -1.626 1.00 0.00 C ATOM 952 O LYS A 62 -0.222 -2.284 -1.771 1.00 0.00 O ATOM 953 CB LYS A 62 -0.143 -5.749 -1.856 1.00 0.00 C ATOM 954 CG LYS A 62 0.723 -5.567 -3.091 1.00 0.00 C ATOM 955 CD LYS A 62 -0.067 -4.967 -4.242 1.00 0.00 C ATOM 956 CE LYS A 62 0.589 -5.263 -5.582 1.00 0.00 C ATOM 957 NZ LYS A 62 1.826 -4.460 -5.783 1.00 0.00 N ATOM 0 H LYS A 62 -1.085 -5.836 0.423 1.00 0.00 H new ATOM 0 HA LYS A 62 0.877 -4.259 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.210 -6.617 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.165 -5.964 -2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.568 -4.921 -2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.134 -6.530 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.081 -5.367 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.148 -3.889 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.831 -6.324 -5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.116 -5.052 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.243 -4.691 -6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.591 -3.447 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.509 -4.680 -5.030 1.00 0.00 H new ATOM 971 N THR A 63 -2.061 -3.549 -2.055 1.00 0.00 N ATOM 972 CA THR A 63 -2.810 -2.501 -2.737 1.00 0.00 C ATOM 973 C THR A 63 -3.059 -1.314 -1.814 1.00 0.00 C ATOM 974 O THR A 63 -2.626 -0.197 -2.093 1.00 0.00 O ATOM 975 CB THR A 63 -4.161 -3.025 -3.258 1.00 0.00 C ATOM 976 OG1 THR A 63 -3.958 -4.197 -4.055 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.871 -1.962 -4.083 1.00 0.00 C ATOM 0 H THR A 63 -2.570 -4.425 -1.942 1.00 0.00 H new ATOM 0 HA THR A 63 -2.204 -2.178 -3.583 1.00 0.00 H new ATOM 0 HB THR A 63 -4.785 -3.274 -2.399 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.822 -4.525 -4.381 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.823 -2.355 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.050 -1.082 -3.466 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.249 -1.687 -4.935 1.00 0.00 H new ATOM 985 N TRP A 64 -3.759 -1.564 -0.713 1.00 0.00 N ATOM 986 CA TRP A 64 -4.066 -0.515 0.252 1.00 0.00 C ATOM 987 C TRP A 64 -2.890 0.445 0.405 1.00 0.00 C ATOM 988 O TRP A 64 -3.063 1.663 0.365 1.00 0.00 O ATOM 989 CB TRP A 64 -4.419 -1.128 1.608 1.00 0.00 C ATOM 990 CG TRP A 64 -4.935 -0.127 2.597 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.243 0.188 2.837 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.156 0.692 3.475 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.322 1.152 3.812 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.056 1.478 4.221 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.785 0.835 3.706 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.627 2.394 5.178 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.361 1.745 4.656 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.280 2.514 5.383 1.00 0.00 C ATOM 0 H TRP A 64 -4.124 -2.484 -0.467 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.924 0.046 -0.119 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.170 -1.905 1.463 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.534 -1.613 2.021 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.090 -0.256 2.334 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.184 1.560 4.173 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.070 0.245 3.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.333 2.989 5.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.304 1.866 4.841 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.917 3.215 6.120 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.697 -0.112 0.580 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.494 0.696 0.740 1.00 0.00 C ATOM 1011 C TYR A 65 -0.274 1.593 -0.473 1.00 0.00 C ATOM 1012 O TYR A 65 -0.172 2.813 -0.346 1.00 0.00 O ATOM 1013 CB TYR A 65 0.725 -0.204 0.950 1.00 0.00 C ATOM 1014 CG TYR A 65 1.004 -0.517 2.403 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.035 -1.107 3.206 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.237 -0.224 2.973 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.285 -1.394 4.533 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.496 -0.509 4.300 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.517 -1.093 5.076 1.00 0.00 C ATOM 1020 OH TYR A 65 1.770 -1.379 6.398 1.00 0.00 O ATOM 0 H TYR A 65 -1.537 -1.119 0.615 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.627 1.329 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.574 -1.138 0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.601 0.278 0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.930 -1.345 2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.006 0.234 2.369 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.480 -1.852 5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.460 -0.276 4.727 1.00 0.00 H new ATOM 0 HH TYR A 65 2.735 -1.334 6.564 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.202 0.980 -1.650 1.00 0.00 N ATOM 1031 CA GLN A 66 0.005 1.723 -2.887 1.00 0.00 C ATOM 1032 C GLN A 66 -0.974 2.887 -2.994 1.00 0.00 C ATOM 1033 O GLN A 66 -0.586 4.008 -3.319 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.151 0.797 -4.095 1.00 0.00 C ATOM 1035 CG GLN A 66 0.658 1.234 -5.305 1.00 0.00 C ATOM 1036 CD GLN A 66 0.633 0.212 -6.425 1.00 0.00 C ATOM 1037 OE1 GLN A 66 1.002 -0.947 -6.231 1.00 0.00 O ATOM 1038 NE2 GLN A 66 0.195 0.636 -7.604 1.00 0.00 N ATOM 0 H GLN A 66 -0.284 -0.029 -1.773 1.00 0.00 H new ATOM 0 HA GLN A 66 1.018 2.125 -2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.151 -0.211 -3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.204 0.748 -4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.268 2.182 -5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.690 1.410 -5.003 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.101 1.605 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.154 -0.007 -8.394 1.00 0.00 H new ATOM 1047 N ASN A 67 -2.244 2.613 -2.718 1.00 0.00 N ATOM 1048 CA ASN A 67 -3.279 3.638 -2.783 1.00 0.00 C ATOM 1049 C ASN A 67 -3.016 4.743 -1.765 1.00 0.00 C ATOM 1050 O ASN A 67 -3.570 5.838 -1.865 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.656 3.019 -2.535 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.103 2.126 -3.677 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.290 2.587 -4.803 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.275 0.841 -3.390 1.00 0.00 N ATOM 0 H ASN A 67 -2.582 1.689 -2.447 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.259 4.075 -3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.630 2.439 -1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.388 3.814 -2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.574 0.192 -4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.108 0.503 -2.442 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.165 4.449 -0.787 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.828 5.417 0.249 1.00 0.00 C ATOM 1063 C ARG A 68 -0.580 6.209 -0.131 1.00 0.00 C ATOM 1064 O ARG A 68 -0.583 7.439 -0.108 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.608 4.708 1.587 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.894 4.423 2.345 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.374 5.648 3.107 1.00 0.00 C ATOM 1068 NE ARG A 68 -2.820 5.705 4.457 1.00 0.00 N ATOM 1069 CZ ARG A 68 -3.233 6.560 5.386 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -4.199 7.426 5.112 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -2.680 6.550 6.592 1.00 0.00 N ATOM 0 H ARG A 68 -1.697 3.548 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.662 6.112 0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.086 3.768 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.957 5.321 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.666 4.102 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.733 3.600 3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.092 6.548 2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.463 5.637 3.162 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.075 5.052 4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.627 7.437 4.186 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.514 8.081 5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.937 5.885 6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.998 7.207 7.304 1.00 0.00 H new