USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 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= -0.0239 USER MOD Single : A 28 GLN : amide:sc= -3.5! C(o=-3.5!,f=-8.8!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= -0.101 (180deg=-0.51) USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.141 (180deg=-0.828) USER MOD Single : A 39 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.41) USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= -0.144 (180deg=-0.713) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0197 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= -0.387 X(o=-0.39,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.41 K(o=-1.4,f=-5.5!) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.0176 (180deg=-0.217) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -13.107 -2.042 4.689 1.00 0.00 N ATOM 320 CA PHE A 24 -12.213 -2.084 5.841 1.00 0.00 C ATOM 321 C PHE A 24 -12.909 -1.550 7.089 1.00 0.00 C ATOM 322 O PHE A 24 -13.676 -0.588 7.023 1.00 0.00 O ATOM 323 CB PHE A 24 -10.947 -1.272 5.561 1.00 0.00 C ATOM 324 CG PHE A 24 -10.057 -1.888 4.520 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.448 -3.112 4.746 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.830 -1.244 3.315 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.628 -3.681 3.790 1.00 0.00 C ATOM 328 CE2 PHE A 24 -9.011 -1.808 2.354 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.410 -3.028 2.592 1.00 0.00 C ATOM 0 HA PHE A 24 -11.937 -3.124 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.231 -0.271 5.238 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.385 -1.160 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.616 -3.627 5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.298 -0.290 3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.158 -4.635 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.842 -1.295 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.771 -3.471 1.843 1.00 0.00 H new ATOM 339 N THR A 25 -12.637 -2.180 8.227 1.00 0.00 N ATOM 340 CA THR A 25 -13.237 -1.771 9.490 1.00 0.00 C ATOM 341 C THR A 25 -12.309 -0.842 10.265 1.00 0.00 C ATOM 342 O THR A 25 -11.087 -0.951 10.169 1.00 0.00 O ATOM 343 CB THR A 25 -13.579 -2.988 10.371 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.381 -3.688 10.725 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.528 -3.930 9.646 1.00 0.00 C ATOM 0 H THR A 25 -12.004 -2.977 8.300 1.00 0.00 H new ATOM 0 HA THR A 25 -14.157 -1.240 9.245 1.00 0.00 H new ATOM 0 HB THR A 25 -14.070 -2.629 11.276 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.606 -4.459 11.286 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.755 -4.782 10.287 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.450 -3.402 9.404 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.059 -4.282 8.727 1.00 0.00 H new ATOM 353 N GLU A 26 -12.897 0.070 11.032 1.00 0.00 N ATOM 354 CA GLU A 26 -12.120 1.018 11.823 1.00 0.00 C ATOM 355 C GLU A 26 -10.895 0.342 12.432 1.00 0.00 C ATOM 356 O GLU A 26 -9.822 0.941 12.524 1.00 0.00 O ATOM 357 CB GLU A 26 -12.986 1.623 12.930 1.00 0.00 C ATOM 358 CG GLU A 26 -14.148 2.452 12.409 1.00 0.00 C ATOM 359 CD GLU A 26 -15.312 2.500 13.379 1.00 0.00 C ATOM 360 OE1 GLU A 26 -15.711 1.428 13.881 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.824 3.610 13.637 1.00 0.00 O ATOM 0 H GLU A 26 -13.908 0.173 11.123 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.782 1.815 11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.375 0.819 13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.361 2.249 13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.804 3.467 12.209 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.488 2.038 11.460 1.00 0.00 H new ATOM 368 N LEU A 27 -11.062 -0.908 12.848 1.00 0.00 N ATOM 369 CA LEU A 27 -9.971 -1.667 13.450 1.00 0.00 C ATOM 370 C LEU A 27 -8.890 -1.977 12.420 1.00 0.00 C ATOM 371 O LEU A 27 -7.703 -1.770 12.671 1.00 0.00 O ATOM 372 CB LEU A 27 -10.501 -2.967 14.056 1.00 0.00 C ATOM 373 CG LEU A 27 -9.715 -3.524 15.244 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.241 -2.949 16.549 1.00 0.00 C ATOM 375 CD2 LEU A 27 -9.782 -5.044 15.262 1.00 0.00 C ATOM 0 H LEU A 27 -11.943 -1.418 12.780 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.531 -1.058 14.240 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.531 -2.803 14.372 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.525 -3.726 13.274 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.672 -3.228 15.136 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.670 -3.357 17.383 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.139 -1.864 16.536 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.292 -3.213 16.666 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.217 -5.423 16.114 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.821 -5.361 15.345 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.355 -5.438 14.340 1.00 0.00 H new ATOM 387 N GLN A 28 -9.310 -2.471 11.260 1.00 0.00 N ATOM 388 CA GLN A 28 -8.377 -2.807 10.191 1.00 0.00 C ATOM 389 C GLN A 28 -7.622 -1.570 9.718 1.00 0.00 C ATOM 390 O GLN A 28 -6.397 -1.591 9.582 1.00 0.00 O ATOM 391 CB GLN A 28 -9.122 -3.444 9.016 1.00 0.00 C ATOM 392 CG GLN A 28 -9.649 -4.838 9.315 1.00 0.00 C ATOM 393 CD GLN A 28 -10.573 -5.357 8.230 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.093 -4.588 7.421 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.782 -6.668 8.208 1.00 0.00 N ATOM 0 H GLN A 28 -10.289 -2.647 11.036 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.655 -3.522 10.585 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.956 -2.802 8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.454 -3.494 8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.809 -5.523 9.430 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.182 -4.825 10.266 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.330 -7.268 8.898 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.394 -7.075 7.501 1.00 0.00 H new ATOM 404 N LEU A 29 -8.358 -0.493 9.468 1.00 0.00 N ATOM 405 CA LEU A 29 -7.758 0.755 9.010 1.00 0.00 C ATOM 406 C LEU A 29 -6.820 1.329 10.067 1.00 0.00 C ATOM 407 O LEU A 29 -5.708 1.755 9.759 1.00 0.00 O ATOM 408 CB LEU A 29 -8.848 1.774 8.671 1.00 0.00 C ATOM 409 CG LEU A 29 -9.496 1.631 7.294 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.675 2.582 7.158 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.475 1.882 6.195 1.00 0.00 C ATOM 0 H LEU A 29 -9.372 -0.459 9.575 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.177 0.542 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.630 1.705 9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.419 2.773 8.747 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.865 0.611 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.124 2.466 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.417 2.354 7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.330 3.609 7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.954 1.776 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.074 2.891 6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.663 1.159 6.280 1.00 0.00 H new ATOM 423 N MET A 30 -7.276 1.334 11.315 1.00 0.00 N ATOM 424 CA MET A 30 -6.476 1.852 12.419 1.00 0.00 C ATOM 425 C MET A 30 -5.121 1.155 12.482 1.00 0.00 C ATOM 426 O MET A 30 -4.091 1.796 12.686 1.00 0.00 O ATOM 427 CB MET A 30 -7.219 1.671 13.744 1.00 0.00 C ATOM 428 CG MET A 30 -6.371 1.991 14.965 1.00 0.00 C ATOM 429 SD MET A 30 -7.323 1.975 16.496 1.00 0.00 S ATOM 430 CE MET A 30 -7.410 0.216 16.822 1.00 0.00 C ATOM 0 H MET A 30 -8.195 0.985 11.587 1.00 0.00 H new ATOM 0 HA MET A 30 -6.309 2.915 12.247 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.101 2.311 13.747 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.571 0.642 13.816 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.560 1.267 15.039 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.913 2.972 14.837 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.971 0.044 17.741 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.910 -0.283 15.992 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.402 -0.184 16.932 1.00 0.00 H new ATOM 440 N GLY A 31 -5.130 -0.163 12.306 1.00 0.00 N ATOM 441 CA GLY A 31 -3.895 -0.925 12.348 1.00 0.00 C ATOM 442 C GLY A 31 -3.073 -0.764 11.085 1.00 0.00 C ATOM 443 O GLY A 31 -1.898 -0.398 11.142 1.00 0.00 O ATOM 0 H GLY A 31 -5.970 -0.716 12.135 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.304 -0.606 13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.127 -1.980 12.495 1.00 0.00 H new ATOM 447 N LEU A 32 -3.688 -1.041 9.940 1.00 0.00 N ATOM 448 CA LEU A 32 -3.005 -0.927 8.657 1.00 0.00 C ATOM 449 C LEU A 32 -2.239 0.388 8.562 1.00 0.00 C ATOM 450 O LEU A 32 -1.105 0.424 8.085 1.00 0.00 O ATOM 451 CB LEU A 32 -4.012 -1.028 7.510 1.00 0.00 C ATOM 452 CG LEU A 32 -4.491 -2.437 7.158 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.845 -2.384 6.468 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.469 -3.143 6.279 1.00 0.00 C ATOM 0 H LEU A 32 -4.659 -1.346 9.875 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.292 -1.747 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.883 -0.423 7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.564 -0.585 6.620 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.600 -3.005 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.169 -3.396 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.574 -1.919 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.764 -1.799 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.826 -4.144 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.328 -2.577 5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.520 -3.214 6.810 1.00 0.00 H new ATOM 466 N GLU A 33 -2.866 1.467 9.023 1.00 0.00 N ATOM 467 CA GLU A 33 -2.241 2.784 8.991 1.00 0.00 C ATOM 468 C GLU A 33 -1.030 2.834 9.917 1.00 0.00 C ATOM 469 O GLU A 33 0.054 3.261 9.518 1.00 0.00 O ATOM 470 CB GLU A 33 -3.251 3.861 9.395 1.00 0.00 C ATOM 471 CG GLU A 33 -4.330 4.105 8.354 1.00 0.00 C ATOM 472 CD GLU A 33 -5.391 5.079 8.830 1.00 0.00 C ATOM 473 OE1 GLU A 33 -6.136 4.730 9.769 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.475 6.188 8.263 1.00 0.00 O ATOM 0 H GLU A 33 -3.805 1.454 9.422 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.905 2.974 7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.723 3.571 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.719 4.794 9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.871 4.490 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.802 3.157 8.096 1.00 0.00 H new ATOM 481 N LYS A 34 -1.221 2.396 11.157 1.00 0.00 N ATOM 482 CA LYS A 34 -0.145 2.390 12.141 1.00 0.00 C ATOM 483 C LYS A 34 1.118 1.761 11.562 1.00 0.00 C ATOM 484 O LYS A 34 2.204 2.334 11.649 1.00 0.00 O ATOM 485 CB LYS A 34 -0.579 1.628 13.395 1.00 0.00 C ATOM 486 CG LYS A 34 0.181 2.033 14.646 1.00 0.00 C ATOM 487 CD LYS A 34 -0.447 3.245 15.313 1.00 0.00 C ATOM 488 CE LYS A 34 -1.560 2.841 16.268 1.00 0.00 C ATOM 489 NZ LYS A 34 -1.041 2.069 17.430 1.00 0.00 N ATOM 0 H LYS A 34 -2.112 2.040 11.504 1.00 0.00 H new ATOM 0 HA LYS A 34 0.076 3.423 12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.644 1.791 13.558 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.442 0.560 13.227 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.199 1.199 15.348 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.217 2.255 14.388 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.318 3.799 15.857 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.845 3.915 14.551 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.074 3.734 16.625 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.297 2.241 15.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.692 2.173 18.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.965 1.064 17.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.103 2.430 17.696 1.00 0.00 H new ATOM 503 N ARG A 35 0.968 0.580 10.971 1.00 0.00 N ATOM 504 CA ARG A 35 2.097 -0.126 10.378 1.00 0.00 C ATOM 505 C ARG A 35 2.611 0.610 9.144 1.00 0.00 C ATOM 506 O ARG A 35 3.756 1.063 9.110 1.00 0.00 O ATOM 507 CB ARG A 35 1.693 -1.553 10.002 1.00 0.00 C ATOM 508 CG ARG A 35 1.918 -2.563 11.116 1.00 0.00 C ATOM 509 CD ARG A 35 1.056 -2.254 12.330 1.00 0.00 C ATOM 510 NE ARG A 35 1.167 -3.287 13.357 1.00 0.00 N ATOM 511 CZ ARG A 35 0.231 -3.518 14.271 1.00 0.00 C ATOM 512 NH1 ARG A 35 -0.879 -2.793 14.286 1.00 0.00 N ATOM 513 NH2 ARG A 35 0.405 -4.476 15.172 1.00 0.00 N ATOM 0 H ARG A 35 0.076 0.092 10.890 1.00 0.00 H new ATOM 0 HA ARG A 35 2.898 -0.165 11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.639 -1.562 9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.259 -1.862 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.690 -3.565 10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.969 -2.560 11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.352 -1.292 12.749 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.015 -2.160 12.021 1.00 0.00 H new ATOM 0 HE ARG A 35 2.009 -3.862 13.373 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.016 -2.056 13.595 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.596 -2.973 14.989 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.258 -5.036 15.163 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.314 -4.653 15.874 1.00 0.00 H new ATOM 527 N PHE A 36 1.758 0.724 8.132 1.00 0.00 N ATOM 528 CA PHE A 36 2.126 1.404 6.895 1.00 0.00 C ATOM 529 C PHE A 36 2.923 2.672 7.187 1.00 0.00 C ATOM 530 O PHE A 36 3.878 2.993 6.482 1.00 0.00 O ATOM 531 CB PHE A 36 0.874 1.750 6.086 1.00 0.00 C ATOM 532 CG PHE A 36 1.164 2.540 4.842 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.639 3.839 4.926 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.961 1.984 3.589 1.00 0.00 C ATOM 535 CE1 PHE A 36 1.905 4.569 3.783 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.226 2.709 2.442 1.00 0.00 C ATOM 537 CZ PHE A 36 1.700 4.003 2.540 1.00 0.00 C ATOM 0 H PHE A 36 0.807 0.355 8.144 1.00 0.00 H new ATOM 0 HA PHE A 36 2.752 0.729 6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.363 0.828 5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.189 2.318 6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.803 4.286 5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.591 0.972 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.273 5.581 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.063 2.265 1.471 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.910 4.571 1.646 1.00 0.00 H new ATOM 547 N GLU A 37 2.521 3.388 8.233 1.00 0.00 N ATOM 548 CA GLU A 37 3.196 4.622 8.618 1.00 0.00 C ATOM 549 C GLU A 37 4.607 4.335 9.122 1.00 0.00 C ATOM 550 O GLU A 37 5.566 5.002 8.733 1.00 0.00 O ATOM 551 CB GLU A 37 2.395 5.353 9.698 1.00 0.00 C ATOM 552 CG GLU A 37 1.259 6.198 9.146 1.00 0.00 C ATOM 553 CD GLU A 37 0.562 7.011 10.219 1.00 0.00 C ATOM 554 OE1 GLU A 37 0.219 6.432 11.272 1.00 0.00 O ATOM 555 OE2 GLU A 37 0.360 8.225 10.008 1.00 0.00 O ATOM 0 H GLU A 37 1.732 3.135 8.828 1.00 0.00 H new ATOM 0 HA GLU A 37 3.266 5.258 7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.987 4.620 10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.069 5.993 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.649 6.870 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.532 5.549 8.658 1.00 0.00 H new ATOM 562 N LYS A 38 4.727 3.338 9.993 1.00 0.00 N ATOM 563 CA LYS A 38 6.019 2.961 10.552 1.00 0.00 C ATOM 564 C LYS A 38 6.955 2.450 9.461 1.00 0.00 C ATOM 565 O LYS A 38 8.140 2.783 9.443 1.00 0.00 O ATOM 566 CB LYS A 38 5.839 1.887 11.628 1.00 0.00 C ATOM 567 CG LYS A 38 5.507 2.450 12.999 1.00 0.00 C ATOM 568 CD LYS A 38 6.758 2.656 13.835 1.00 0.00 C ATOM 569 CE LYS A 38 7.323 4.057 13.657 1.00 0.00 C ATOM 570 NZ LYS A 38 6.361 5.104 14.100 1.00 0.00 N ATOM 0 H LYS A 38 3.944 2.776 10.327 1.00 0.00 H new ATOM 0 HA LYS A 38 6.464 3.848 11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.044 1.207 11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.753 1.298 11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.983 3.399 12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.829 1.772 13.518 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.526 2.487 14.887 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.511 1.920 13.552 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.248 4.150 14.226 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.576 4.216 12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.885 5.945 14.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.738 5.361 13.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.788 4.738 14.887 1.00 0.00 H new ATOM 584 N GLN A 39 6.416 1.643 8.554 1.00 0.00 N ATOM 585 CA GLN A 39 7.204 1.088 7.460 1.00 0.00 C ATOM 586 C GLN A 39 6.452 1.196 6.138 1.00 0.00 C ATOM 587 O GLN A 39 5.678 0.308 5.778 1.00 0.00 O ATOM 588 CB GLN A 39 7.552 -0.374 7.745 1.00 0.00 C ATOM 589 CG GLN A 39 8.865 -0.820 7.121 1.00 0.00 C ATOM 590 CD GLN A 39 9.132 -2.299 7.318 1.00 0.00 C ATOM 591 OE1 GLN A 39 8.883 -2.849 8.391 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.643 -2.952 6.281 1.00 0.00 N ATOM 0 H GLN A 39 5.436 1.359 8.555 1.00 0.00 H new ATOM 0 HA GLN A 39 8.126 1.665 7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.603 -0.523 8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.748 -1.009 7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.850 -0.596 6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.683 -0.246 7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.834 -2.457 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.845 -3.949 6.355 1.00 0.00 H new ATOM 601 N LYS A 40 6.683 2.288 5.419 1.00 0.00 N ATOM 602 CA LYS A 40 6.029 2.513 4.135 1.00 0.00 C ATOM 603 C LYS A 40 5.814 1.196 3.396 1.00 0.00 C ATOM 604 O LYS A 40 4.769 0.981 2.781 1.00 0.00 O ATOM 605 CB LYS A 40 6.863 3.463 3.273 1.00 0.00 C ATOM 606 CG LYS A 40 6.758 4.918 3.696 1.00 0.00 C ATOM 607 CD LYS A 40 5.407 5.509 3.326 1.00 0.00 C ATOM 608 CE LYS A 40 5.107 6.762 4.135 1.00 0.00 C ATOM 609 NZ LYS A 40 5.028 6.474 5.594 1.00 0.00 N ATOM 0 H LYS A 40 7.319 3.033 5.704 1.00 0.00 H new ATOM 0 HA LYS A 40 5.056 2.966 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.908 3.156 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.545 3.371 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.908 4.997 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.551 5.495 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.392 5.749 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.626 4.769 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.882 7.506 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.165 7.195 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.476 7.219 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.566 5.554 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.987 6.448 5.995 1.00 0.00 H new ATOM 623 N TYR A 41 6.808 0.317 3.461 1.00 0.00 N ATOM 624 CA TYR A 41 6.728 -0.979 2.798 1.00 0.00 C ATOM 625 C TYR A 41 6.939 -2.115 3.793 1.00 0.00 C ATOM 626 O TYR A 41 7.502 -1.916 4.870 1.00 0.00 O ATOM 627 CB TYR A 41 7.766 -1.067 1.678 1.00 0.00 C ATOM 628 CG TYR A 41 7.843 0.178 0.823 1.00 0.00 C ATOM 629 CD1 TYR A 41 8.670 1.237 1.176 1.00 0.00 C ATOM 630 CD2 TYR A 41 7.088 0.295 -0.337 1.00 0.00 C ATOM 631 CE1 TYR A 41 8.743 2.377 0.399 1.00 0.00 C ATOM 632 CE2 TYR A 41 7.156 1.430 -1.122 1.00 0.00 C ATOM 633 CZ TYR A 41 7.984 2.468 -0.749 1.00 0.00 C ATOM 634 OH TYR A 41 8.054 3.601 -1.527 1.00 0.00 O ATOM 0 H TYR A 41 7.679 0.479 3.966 1.00 0.00 H new ATOM 0 HA TYR A 41 5.731 -1.078 2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.746 -1.257 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.530 -1.920 1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.266 1.168 2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.437 -0.515 -0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.390 3.192 0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.564 1.504 -2.022 1.00 0.00 H new ATOM 0 HH TYR A 41 7.459 3.505 -2.300 1.00 0.00 H new ATOM 644 N LEU A 42 6.483 -3.307 3.425 1.00 0.00 N ATOM 645 CA LEU A 42 6.621 -4.478 4.285 1.00 0.00 C ATOM 646 C LEU A 42 7.335 -5.610 3.552 1.00 0.00 C ATOM 647 O LEU A 42 7.369 -5.643 2.322 1.00 0.00 O ATOM 648 CB LEU A 42 5.247 -4.951 4.761 1.00 0.00 C ATOM 649 CG LEU A 42 4.556 -4.067 5.801 1.00 0.00 C ATOM 650 CD1 LEU A 42 3.097 -4.465 5.955 1.00 0.00 C ATOM 651 CD2 LEU A 42 5.279 -4.152 7.138 1.00 0.00 C ATOM 0 H LEU A 42 6.015 -3.489 2.537 1.00 0.00 H new ATOM 0 HA LEU A 42 7.220 -4.194 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.593 -5.035 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.354 -5.952 5.178 1.00 0.00 H new ATOM 0 HG LEU A 42 4.594 -3.034 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.622 -3.825 6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.586 -4.351 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.035 -5.504 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.774 -3.517 7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.273 -5.184 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.309 -3.816 7.017 1.00 0.00 H new ATOM 663 N SER A 43 7.903 -6.537 4.317 1.00 0.00 N ATOM 664 CA SER A 43 8.618 -7.670 3.741 1.00 0.00 C ATOM 665 C SER A 43 7.649 -8.781 3.350 1.00 0.00 C ATOM 666 O SER A 43 6.487 -8.781 3.758 1.00 0.00 O ATOM 667 CB SER A 43 9.652 -8.205 4.733 1.00 0.00 C ATOM 668 OG SER A 43 10.698 -8.886 4.061 1.00 0.00 O ATOM 0 H SER A 43 7.882 -6.526 5.337 1.00 0.00 H new ATOM 0 HA SER A 43 9.131 -7.326 2.843 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.065 -7.380 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.168 -8.880 5.439 1.00 0.00 H new ATOM 0 HG SER A 43 11.347 -9.217 4.717 1.00 0.00 H new ATOM 674 N THR A 44 8.135 -9.729 2.554 1.00 0.00 N ATOM 675 CA THR A 44 7.314 -10.846 2.106 1.00 0.00 C ATOM 676 C THR A 44 6.620 -11.525 3.281 1.00 0.00 C ATOM 677 O THR A 44 5.393 -11.609 3.345 1.00 0.00 O ATOM 678 CB THR A 44 8.153 -11.891 1.346 1.00 0.00 C ATOM 679 OG1 THR A 44 8.148 -11.597 -0.056 1.00 0.00 O ATOM 680 CG2 THR A 44 7.610 -13.293 1.577 1.00 0.00 C ATOM 0 H THR A 44 9.094 -9.745 2.207 1.00 0.00 H new ATOM 0 HA THR A 44 6.562 -10.435 1.432 1.00 0.00 H new ATOM 0 HB THR A 44 9.175 -11.848 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.685 -12.265 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.219 -14.013 1.030 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.642 -13.525 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.580 -13.347 1.225 1.00 0.00 H new ATOM 688 N PRO A 45 7.421 -12.022 4.235 1.00 0.00 N ATOM 689 CA PRO A 45 6.905 -12.702 5.427 1.00 0.00 C ATOM 690 C PRO A 45 6.200 -11.744 6.381 1.00 0.00 C ATOM 691 O PRO A 45 5.222 -12.110 7.032 1.00 0.00 O ATOM 692 CB PRO A 45 8.165 -13.276 6.081 1.00 0.00 C ATOM 693 CG PRO A 45 9.270 -12.394 5.612 1.00 0.00 C ATOM 694 CD PRO A 45 8.892 -11.958 4.224 1.00 0.00 C ATOM 0 HA PRO A 45 6.158 -13.454 5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.086 -13.267 7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.330 -14.311 5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.390 -11.535 6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.220 -12.928 5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.249 -10.951 4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.317 -12.616 3.466 1.00 0.00 H new ATOM 702 N ASP A 46 6.702 -10.516 6.458 1.00 0.00 N ATOM 703 CA ASP A 46 6.118 -9.505 7.331 1.00 0.00 C ATOM 704 C ASP A 46 4.651 -9.271 6.987 1.00 0.00 C ATOM 705 O ASP A 46 3.772 -9.425 7.836 1.00 0.00 O ATOM 706 CB ASP A 46 6.897 -8.193 7.219 1.00 0.00 C ATOM 707 CG ASP A 46 8.041 -8.112 8.211 1.00 0.00 C ATOM 708 OD1 ASP A 46 9.013 -8.880 8.057 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.963 -7.282 9.140 1.00 0.00 O ATOM 0 H ASP A 46 7.512 -10.197 5.926 1.00 0.00 H new ATOM 0 HA ASP A 46 6.178 -9.868 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.290 -8.092 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.218 -7.356 7.382 1.00 0.00 H new ATOM 714 N ARG A 47 4.393 -8.898 5.738 1.00 0.00 N ATOM 715 CA ARG A 47 3.033 -8.640 5.283 1.00 0.00 C ATOM 716 C ARG A 47 2.078 -9.719 5.785 1.00 0.00 C ATOM 717 O ARG A 47 0.956 -9.425 6.199 1.00 0.00 O ATOM 718 CB ARG A 47 2.987 -8.575 3.755 1.00 0.00 C ATOM 719 CG ARG A 47 1.578 -8.506 3.190 1.00 0.00 C ATOM 720 CD ARG A 47 1.591 -8.350 1.677 1.00 0.00 C ATOM 721 NE ARG A 47 1.659 -9.639 0.995 1.00 0.00 N ATOM 722 CZ ARG A 47 2.014 -9.779 -0.278 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.331 -8.715 -1.002 1.00 0.00 N ATOM 724 NH2 ARG A 47 2.052 -10.986 -0.828 1.00 0.00 N ATOM 0 H ARG A 47 5.109 -8.768 5.023 1.00 0.00 H new ATOM 0 HA ARG A 47 2.717 -7.680 5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.547 -7.702 3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.490 -9.452 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.032 -9.411 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.046 -7.667 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.694 -7.819 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.444 -7.739 1.383 1.00 0.00 H new ATOM 0 HE ARG A 47 1.421 -10.478 1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.303 -7.786 -0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.603 -8.825 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.809 -11.807 -0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.325 -11.093 -1.805 1.00 0.00 H new ATOM 738 N ILE A 48 2.531 -10.968 5.745 1.00 0.00 N ATOM 739 CA ILE A 48 1.717 -12.090 6.196 1.00 0.00 C ATOM 740 C ILE A 48 1.423 -11.990 7.689 1.00 0.00 C ATOM 741 O ILE A 48 0.264 -11.995 8.106 1.00 0.00 O ATOM 742 CB ILE A 48 2.407 -13.437 5.909 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.782 -13.537 4.429 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.502 -14.591 6.312 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.727 -14.677 4.121 1.00 0.00 C ATOM 0 H ILE A 48 3.457 -11.228 5.405 1.00 0.00 H new ATOM 0 HA ILE A 48 0.781 -12.045 5.640 1.00 0.00 H new ATOM 0 HB ILE A 48 3.321 -13.495 6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.873 -13.660 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.241 -12.600 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.003 -15.536 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.281 -14.525 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.573 -14.540 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.949 -14.687 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.652 -14.545 4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.262 -15.621 4.404 1.00 0.00 H new ATOM 757 N ASP A 49 2.479 -11.899 8.490 1.00 0.00 N ATOM 758 CA ASP A 49 2.335 -11.795 9.937 1.00 0.00 C ATOM 759 C ASP A 49 1.293 -10.743 10.305 1.00 0.00 C ATOM 760 O ASP A 49 0.383 -11.004 11.093 1.00 0.00 O ATOM 761 CB ASP A 49 3.678 -11.447 10.581 1.00 0.00 C ATOM 762 CG ASP A 49 3.657 -11.613 12.088 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.298 -10.642 12.787 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.999 -12.714 12.568 1.00 0.00 O ATOM 0 H ASP A 49 3.445 -11.895 8.161 1.00 0.00 H new ATOM 0 HA ASP A 49 1.999 -12.761 10.314 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.456 -12.083 10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.940 -10.418 10.335 1.00 0.00 H new ATOM 769 N LEU A 50 1.432 -9.553 9.730 1.00 0.00 N ATOM 770 CA LEU A 50 0.503 -8.461 9.998 1.00 0.00 C ATOM 771 C LEU A 50 -0.914 -8.835 9.577 1.00 0.00 C ATOM 772 O LEU A 50 -1.839 -8.818 10.389 1.00 0.00 O ATOM 773 CB LEU A 50 0.948 -7.195 9.264 1.00 0.00 C ATOM 774 CG LEU A 50 -0.113 -6.107 9.098 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.390 -5.424 10.428 1.00 0.00 C ATOM 776 CD2 LEU A 50 0.324 -5.089 8.055 1.00 0.00 C ATOM 0 H LEU A 50 2.179 -9.320 9.076 1.00 0.00 H new ATOM 0 HA LEU A 50 0.505 -8.271 11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.796 -6.768 9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.306 -7.480 8.274 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.035 -6.576 8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.148 -4.653 10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.748 -6.160 11.147 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.527 -4.969 10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.444 -4.322 7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.259 -4.625 8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.470 -5.589 7.097 1.00 0.00 H new ATOM 788 N ALA A 51 -1.077 -9.176 8.302 1.00 0.00 N ATOM 789 CA ALA A 51 -2.380 -9.559 7.774 1.00 0.00 C ATOM 790 C ALA A 51 -3.095 -10.518 8.720 1.00 0.00 C ATOM 791 O ALA A 51 -4.321 -10.504 8.821 1.00 0.00 O ATOM 792 CB ALA A 51 -2.227 -10.188 6.397 1.00 0.00 C ATOM 0 H ALA A 51 -0.322 -9.195 7.616 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.988 -8.659 7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.208 -10.469 6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.765 -9.471 5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.598 -11.075 6.470 1.00 0.00 H new ATOM 798 N GLU A 52 -2.321 -11.351 9.409 1.00 0.00 N ATOM 799 CA GLU A 52 -2.882 -12.318 10.345 1.00 0.00 C ATOM 800 C GLU A 52 -3.326 -11.632 11.634 1.00 0.00 C ATOM 801 O GLU A 52 -4.318 -12.026 12.248 1.00 0.00 O ATOM 802 CB GLU A 52 -1.857 -13.409 10.661 1.00 0.00 C ATOM 803 CG GLU A 52 -1.923 -14.598 9.717 1.00 0.00 C ATOM 804 CD GLU A 52 -3.211 -15.385 9.859 1.00 0.00 C ATOM 805 OE1 GLU A 52 -4.248 -14.927 9.336 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.181 -16.460 10.494 1.00 0.00 O ATOM 0 H GLU A 52 -1.304 -11.375 9.336 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.754 -12.774 9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.856 -12.979 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.013 -13.757 11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.828 -14.247 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.076 -15.257 9.909 1.00 0.00 H new ATOM 813 N SER A 53 -2.585 -10.605 12.037 1.00 0.00 N ATOM 814 CA SER A 53 -2.899 -9.867 13.255 1.00 0.00 C ATOM 815 C SER A 53 -4.222 -9.120 13.112 1.00 0.00 C ATOM 816 O SER A 53 -5.063 -9.146 14.011 1.00 0.00 O ATOM 817 CB SER A 53 -1.776 -8.882 13.583 1.00 0.00 C ATOM 818 OG SER A 53 -1.824 -8.488 14.943 1.00 0.00 O ATOM 0 H SER A 53 -1.763 -10.265 11.538 1.00 0.00 H new ATOM 0 HA SER A 53 -2.993 -10.584 14.071 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.811 -9.341 13.368 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.860 -8.003 12.943 1.00 0.00 H new ATOM 0 HG SER A 53 -1.095 -7.860 15.128 1.00 0.00 H new ATOM 824 N LEU A 54 -4.398 -8.455 11.975 1.00 0.00 N ATOM 825 CA LEU A 54 -5.618 -7.700 11.712 1.00 0.00 C ATOM 826 C LEU A 54 -6.693 -8.596 11.105 1.00 0.00 C ATOM 827 O LEU A 54 -7.887 -8.343 11.260 1.00 0.00 O ATOM 828 CB LEU A 54 -5.324 -6.529 10.773 1.00 0.00 C ATOM 829 CG LEU A 54 -4.413 -5.434 11.330 1.00 0.00 C ATOM 830 CD1 LEU A 54 -3.966 -4.495 10.220 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.121 -4.661 12.433 1.00 0.00 C ATOM 0 H LEU A 54 -3.712 -8.423 11.221 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.988 -7.313 12.661 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.870 -6.924 9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.272 -6.074 10.485 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.528 -5.906 11.756 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.319 -3.723 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.419 -5.059 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.839 -4.029 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.458 -3.886 12.818 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.024 -4.200 12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.389 -5.342 13.240 1.00 0.00 H new ATOM 843 N GLY A 55 -6.260 -9.646 10.414 1.00 0.00 N ATOM 844 CA GLY A 55 -7.198 -10.565 9.796 1.00 0.00 C ATOM 845 C GLY A 55 -7.503 -10.201 8.356 1.00 0.00 C ATOM 846 O GLY A 55 -8.595 -10.475 7.857 1.00 0.00 O ATOM 0 H GLY A 55 -5.277 -9.877 10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.790 -11.575 9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.125 -10.574 10.370 1.00 0.00 H new ATOM 850 N LEU A 56 -6.537 -9.581 7.687 1.00 0.00 N ATOM 851 CA LEU A 56 -6.708 -9.177 6.296 1.00 0.00 C ATOM 852 C LEU A 56 -5.978 -10.133 5.358 1.00 0.00 C ATOM 853 O LEU A 56 -5.271 -11.037 5.803 1.00 0.00 O ATOM 854 CB LEU A 56 -6.192 -7.752 6.092 1.00 0.00 C ATOM 855 CG LEU A 56 -6.998 -6.643 6.769 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.252 -5.320 6.696 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.374 -6.517 6.131 1.00 0.00 C ATOM 0 H LEU A 56 -5.628 -9.347 8.085 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.772 -9.209 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.166 -7.703 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.160 -7.548 5.022 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.129 -6.905 7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.841 -4.543 7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.290 -5.416 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.089 -5.051 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.933 -5.723 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.264 -6.279 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.912 -7.459 6.237 1.00 0.00 H new ATOM 869 N SER A 57 -6.154 -9.926 4.057 1.00 0.00 N ATOM 870 CA SER A 57 -5.513 -10.771 3.055 1.00 0.00 C ATOM 871 C SER A 57 -4.238 -10.119 2.529 1.00 0.00 C ATOM 872 O SER A 57 -4.180 -8.903 2.350 1.00 0.00 O ATOM 873 CB SER A 57 -6.475 -11.043 1.897 1.00 0.00 C ATOM 874 OG SER A 57 -7.522 -11.911 2.296 1.00 0.00 O ATOM 0 H SER A 57 -6.735 -9.181 3.672 1.00 0.00 H new ATOM 0 HA SER A 57 -5.248 -11.716 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.894 -10.102 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.930 -11.485 1.063 1.00 0.00 H new ATOM 0 HG SER A 57 -8.124 -12.068 1.539 1.00 0.00 H new ATOM 880 N GLN A 58 -3.220 -10.937 2.285 1.00 0.00 N ATOM 881 CA GLN A 58 -1.945 -10.440 1.781 1.00 0.00 C ATOM 882 C GLN A 58 -2.161 -9.365 0.721 1.00 0.00 C ATOM 883 O GLN A 58 -1.452 -8.358 0.689 1.00 0.00 O ATOM 884 CB GLN A 58 -1.120 -11.589 1.198 1.00 0.00 C ATOM 885 CG GLN A 58 -0.828 -12.696 2.198 1.00 0.00 C ATOM 886 CD GLN A 58 -0.455 -14.004 1.529 1.00 0.00 C ATOM 887 OE1 GLN A 58 -1.318 -14.736 1.045 1.00 0.00 O ATOM 888 NE2 GLN A 58 0.838 -14.305 1.497 1.00 0.00 N ATOM 0 H GLN A 58 -3.253 -11.946 2.428 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.400 -9.998 2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.652 -12.012 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.177 -11.193 0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.015 -12.383 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.704 -12.851 2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.520 -13.669 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.149 -15.172 1.059 1.00 0.00 H new ATOM 897 N LEU A 59 -3.143 -9.585 -0.147 1.00 0.00 N ATOM 898 CA LEU A 59 -3.452 -8.635 -1.209 1.00 0.00 C ATOM 899 C LEU A 59 -3.793 -7.265 -0.633 1.00 0.00 C ATOM 900 O LEU A 59 -3.343 -6.238 -1.140 1.00 0.00 O ATOM 901 CB LEU A 59 -4.618 -9.149 -2.057 1.00 0.00 C ATOM 902 CG LEU A 59 -5.145 -8.190 -3.125 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.170 -8.099 -4.288 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.517 -8.635 -3.610 1.00 0.00 C ATOM 0 H LEU A 59 -3.738 -10.413 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.569 -8.533 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.306 -10.071 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.441 -9.406 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.242 -7.199 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.562 -7.412 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.208 -7.734 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.040 -9.086 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.877 -7.941 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.445 -9.635 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.213 -8.648 -2.771 1.00 0.00 H new ATOM 916 N GLN A 60 -4.590 -7.258 0.431 1.00 0.00 N ATOM 917 CA GLN A 60 -4.990 -6.014 1.078 1.00 0.00 C ATOM 918 C GLN A 60 -3.785 -5.109 1.309 1.00 0.00 C ATOM 919 O GLN A 60 -3.707 -4.009 0.761 1.00 0.00 O ATOM 920 CB GLN A 60 -5.686 -6.306 2.408 1.00 0.00 C ATOM 921 CG GLN A 60 -6.914 -7.192 2.271 1.00 0.00 C ATOM 922 CD GLN A 60 -7.817 -6.765 1.130 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.419 -6.790 -0.035 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.040 -6.369 1.460 1.00 0.00 N ATOM 0 H GLN A 60 -4.971 -8.100 0.863 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.687 -5.499 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.976 -6.785 3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.978 -5.363 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.598 -8.223 2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.478 -7.171 3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.328 -6.364 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.692 -6.069 0.735 1.00 0.00 H new ATOM 933 N VAL A 61 -2.846 -5.578 2.125 1.00 0.00 N ATOM 934 CA VAL A 61 -1.643 -4.812 2.428 1.00 0.00 C ATOM 935 C VAL A 61 -0.924 -4.390 1.152 1.00 0.00 C ATOM 936 O VAL A 61 -0.430 -3.267 1.046 1.00 0.00 O ATOM 937 CB VAL A 61 -0.672 -5.618 3.310 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.557 -4.787 3.649 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.370 -6.093 4.575 1.00 0.00 C ATOM 0 H VAL A 61 -2.896 -6.485 2.588 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.962 -3.923 2.972 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.345 -6.495 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.232 -5.373 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.068 -4.502 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.252 -3.890 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.669 -6.661 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.728 -5.231 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.215 -6.728 4.308 1.00 0.00 H new ATOM 949 N LYS A 62 -0.868 -5.298 0.183 1.00 0.00 N ATOM 950 CA LYS A 62 -0.211 -5.021 -1.089 1.00 0.00 C ATOM 951 C LYS A 62 -0.854 -3.827 -1.785 1.00 0.00 C ATOM 952 O LYS A 62 -0.210 -2.800 -2.003 1.00 0.00 O ATOM 953 CB LYS A 62 -0.275 -6.251 -1.997 1.00 0.00 C ATOM 954 CG LYS A 62 0.771 -6.248 -3.099 1.00 0.00 C ATOM 955 CD LYS A 62 0.490 -7.322 -4.137 1.00 0.00 C ATOM 956 CE LYS A 62 -0.542 -6.859 -5.153 1.00 0.00 C ATOM 957 NZ LYS A 62 0.006 -5.819 -6.067 1.00 0.00 N ATOM 0 H LYS A 62 -1.270 -6.233 0.255 1.00 0.00 H new ATOM 0 HA LYS A 62 0.833 -4.781 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.149 -7.147 -1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.266 -6.308 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.790 -5.271 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.758 -6.409 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.415 -7.584 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.134 -8.225 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.884 -7.713 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.412 -6.461 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.614 -5.725 -6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.056 -4.909 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.959 -6.096 -6.376 1.00 0.00 H new ATOM 971 N THR A 63 -2.130 -3.967 -2.132 1.00 0.00 N ATOM 972 CA THR A 63 -2.861 -2.899 -2.804 1.00 0.00 C ATOM 973 C THR A 63 -3.049 -1.698 -1.884 1.00 0.00 C ATOM 974 O THR A 63 -2.611 -0.591 -2.196 1.00 0.00 O ATOM 975 CB THR A 63 -4.241 -3.382 -3.289 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.091 -4.533 -4.127 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.961 -2.282 -4.054 1.00 0.00 C ATOM 0 H THR A 63 -2.679 -4.809 -1.959 1.00 0.00 H new ATOM 0 HA THR A 63 -2.265 -2.602 -3.667 1.00 0.00 H new ATOM 0 HB THR A 63 -4.837 -3.645 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.973 -4.835 -4.430 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.933 -2.646 -4.387 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.100 -1.418 -3.404 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.366 -1.992 -4.920 1.00 0.00 H new ATOM 985 N TRP A 64 -3.702 -1.925 -0.750 1.00 0.00 N ATOM 986 CA TRP A 64 -3.948 -0.860 0.216 1.00 0.00 C ATOM 987 C TRP A 64 -2.751 0.081 0.305 1.00 0.00 C ATOM 988 O TRP A 64 -2.903 1.301 0.239 1.00 0.00 O ATOM 989 CB TRP A 64 -4.249 -1.453 1.593 1.00 0.00 C ATOM 990 CG TRP A 64 -4.866 -0.469 2.541 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.163 -0.042 2.550 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.210 0.211 3.617 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.353 0.863 3.567 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.171 1.034 4.236 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.906 0.203 4.119 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.865 1.841 5.329 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.605 1.005 5.203 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.581 1.814 5.800 1.00 0.00 C ATOM 0 H TRP A 64 -4.070 -2.836 -0.477 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.812 -0.288 -0.123 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.920 -2.304 1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.324 -1.834 2.027 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.927 -0.367 1.860 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.232 1.331 3.787 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.147 -0.419 3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.616 2.467 5.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.600 1.008 5.597 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.315 2.428 6.648 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.563 -0.493 0.454 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.340 0.295 0.554 1.00 0.00 C ATOM 1011 C TYR A 65 -0.150 1.165 -0.685 1.00 0.00 C ATOM 1012 O TYR A 65 -0.192 2.393 -0.606 1.00 0.00 O ATOM 1013 CB TYR A 65 0.870 -0.622 0.737 1.00 0.00 C ATOM 1014 CG TYR A 65 1.181 -0.933 2.183 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.192 -1.388 3.045 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.466 -0.771 2.688 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.472 -1.673 4.368 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.755 -1.054 4.009 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.755 -1.504 4.845 1.00 0.00 C ATOM 1020 OH TYR A 65 2.038 -1.788 6.161 1.00 0.00 O ATOM 0 H TYR A 65 -1.420 -1.502 0.508 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.428 0.946 1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.692 -1.556 0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.742 -0.155 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.814 -1.522 2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.252 -0.418 2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.309 -2.026 5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.759 -0.923 4.385 1.00 0.00 H new ATOM 0 HH TYR A 65 2.987 -1.617 6.336 1.00 0.00 H new ATOM 1030 N GLN A 66 0.057 0.519 -1.828 1.00 0.00 N ATOM 1031 CA GLN A 66 0.254 1.233 -3.084 1.00 0.00 C ATOM 1032 C GLN A 66 -0.631 2.473 -3.149 1.00 0.00 C ATOM 1033 O GLN A 66 -0.191 3.540 -3.576 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.047 0.315 -4.269 1.00 0.00 C ATOM 1035 CG GLN A 66 0.605 0.763 -5.567 1.00 0.00 C ATOM 1036 CD GLN A 66 0.294 -0.163 -6.727 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -0.831 -0.192 -7.228 1.00 0.00 O ATOM 1038 NE2 GLN A 66 1.291 -0.925 -7.160 1.00 0.00 N ATOM 0 H GLN A 66 0.093 -0.497 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 66 1.296 1.549 -3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.291 -0.694 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.126 0.264 -4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.267 1.770 -5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.685 0.815 -5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.207 -0.868 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.141 -1.568 -7.938 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.882 2.325 -2.723 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.829 3.434 -2.734 1.00 0.00 C ATOM 1049 C ASN A 67 -2.469 4.468 -1.672 1.00 0.00 C ATOM 1050 O ASN A 67 -2.360 5.660 -1.964 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.251 2.919 -2.498 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.859 2.309 -3.746 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.512 2.684 -4.866 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.772 1.363 -3.557 1.00 0.00 N ATOM 0 H ASN A 67 -2.263 1.449 -2.366 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.779 3.912 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.237 2.174 -1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.880 3.741 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.216 0.916 -4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.029 1.084 -2.610 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.283 4.005 -0.441 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.935 4.889 0.664 1.00 0.00 C ATOM 1063 C ARG A 68 -0.815 5.845 0.264 1.00 0.00 C ATOM 1064 O ARG A 68 -0.925 7.058 0.447 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.510 4.072 1.885 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.678 3.493 2.668 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.152 4.450 3.750 1.00 0.00 C ATOM 1068 NE ARG A 68 -3.851 5.604 3.192 1.00 0.00 N ATOM 1069 CZ ARG A 68 -4.041 6.740 3.855 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -3.586 6.872 5.093 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -4.687 7.746 3.279 1.00 0.00 N ATOM 0 H ARG A 68 -2.368 3.022 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.818 5.476 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.863 3.258 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.918 4.704 2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.501 3.275 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.380 2.548 3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.814 3.922 4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.296 4.791 4.332 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.213 5.534 2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.089 6.101 5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.733 7.745 5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.038 7.648 2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.832 8.617 3.789 1.00 0.00 H new