USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 401 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 44 CYS SG : rot 101:sc= -0.67 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.061 K(o=-6.8,f=-8) USER MOD Set 1.3: A 63 CYS SG : rot 8:sc= -2.18! USER MOD Set 1.4: A 66 CYS SG : rot -38:sc= -3.85! USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= -0.468 USER MOD Set 2.2: A 29 CYS SG : rot -52:sc= -0.67 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -1.28 X(o=-3.9,f=-4.3) USER MOD Set 2.4: A 52 CYS SG : rot -169:sc= -1.49 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 37:sc= 1.05 USER MOD Single : A 30 MET CE :methyl -121:sc= -3.34 (180deg=-6.85!) USER MOD Single : A 31 CYS SG : rot 71:sc= 1.22 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= 1.04 F(o=-0.58,f=1) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0199) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.923 3.360 5.890 1.00 0.00 N ATOM 128 CA TYR A 12 -10.228 4.775 6.062 1.00 0.00 C ATOM 129 C TYR A 12 -9.150 5.646 5.424 1.00 0.00 C ATOM 130 O TYR A 12 -8.017 5.207 5.230 1.00 0.00 O ATOM 131 CB TYR A 12 -10.360 5.114 7.548 1.00 0.00 C ATOM 132 CG TYR A 12 -9.032 5.286 8.249 1.00 0.00 C ATOM 133 CD1 TYR A 12 -8.380 6.513 8.252 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.429 4.223 8.909 1.00 0.00 C ATOM 135 CE1 TYR A 12 -7.166 6.676 8.891 1.00 0.00 C ATOM 136 CE2 TYR A 12 -7.216 4.376 9.552 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.588 5.605 9.540 1.00 0.00 C ATOM 138 OH TYR A 12 -5.379 5.761 10.178 1.00 0.00 O ATOM 0 HA TYR A 12 -11.176 4.979 5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.938 6.032 7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.924 4.324 8.044 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.830 7.354 7.746 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.917 3.260 8.920 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.672 7.637 8.882 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.762 3.539 10.061 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.112 4.911 10.586 1.00 0.00 H new ATOM 148 N ARG A 13 -9.513 6.883 5.100 1.00 0.00 N ATOM 149 CA ARG A 13 -8.578 7.817 4.484 1.00 0.00 C ATOM 150 C ARG A 13 -7.783 8.570 5.546 1.00 0.00 C ATOM 151 O ARG A 13 -8.354 9.242 6.405 1.00 0.00 O ATOM 152 CB ARG A 13 -9.328 8.809 3.594 1.00 0.00 C ATOM 153 CG ARG A 13 -9.592 8.289 2.190 1.00 0.00 C ATOM 154 CD ARG A 13 -10.454 9.254 1.391 1.00 0.00 C ATOM 155 NE ARG A 13 -11.847 9.237 1.832 1.00 0.00 N ATOM 156 CZ ARG A 13 -12.795 10.001 1.302 1.00 0.00 C ATOM 157 NH1 ARG A 13 -12.502 10.838 0.316 1.00 0.00 N ATOM 158 NH2 ARG A 13 -14.039 9.929 1.757 1.00 0.00 N ATOM 0 H ARG A 13 -10.448 7.261 5.254 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.881 7.244 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.279 9.059 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.752 9.732 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.644 8.134 1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.087 7.319 2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.055 10.263 1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.405 8.994 0.334 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.105 8.603 2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.547 10.896 -0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.232 11.424 -0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.268 9.286 2.515 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.766 10.517 1.349 1.00 0.00 H new ATOM 172 N PHE A 14 -6.460 8.453 5.481 1.00 0.00 N ATOM 173 CA PHE A 14 -5.586 9.122 6.437 1.00 0.00 C ATOM 174 C PHE A 14 -5.909 10.611 6.521 1.00 0.00 C ATOM 175 O PHE A 14 -6.106 11.272 5.503 1.00 0.00 O ATOM 176 CB PHE A 14 -4.120 8.928 6.043 1.00 0.00 C ATOM 177 CG PHE A 14 -3.157 9.643 6.946 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.111 11.027 6.976 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.296 8.930 7.765 1.00 0.00 C ATOM 180 CE1 PHE A 14 -2.226 11.688 7.806 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.409 9.586 8.598 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.373 10.967 8.617 1.00 0.00 C ATOM 0 H PHE A 14 -5.971 7.901 4.776 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.754 8.676 7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.888 7.863 6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.977 9.280 5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.775 11.597 6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.318 7.850 7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.202 12.768 7.820 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.745 9.019 9.234 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.679 11.481 9.265 1.00 0.00 H new ATOM 326 N THR A 24 3.014 7.535 12.856 1.00 0.00 N ATOM 327 CA THR A 24 2.432 6.876 11.694 1.00 0.00 C ATOM 328 C THR A 24 3.379 6.927 10.501 1.00 0.00 C ATOM 329 O THR A 24 3.475 7.946 9.815 1.00 0.00 O ATOM 330 CB THR A 24 1.089 7.519 11.298 1.00 0.00 C ATOM 331 OG1 THR A 24 1.288 8.894 10.951 1.00 0.00 O ATOM 332 CG2 THR A 24 0.084 7.418 12.435 1.00 0.00 C ATOM 0 HA THR A 24 2.260 5.836 11.973 1.00 0.00 H new ATOM 0 HB THR A 24 0.694 6.981 10.437 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.145 8.993 10.486 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.856 7.879 12.132 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.087 6.369 12.677 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.474 7.934 13.312 1.00 0.00 H new ATOM 340 N LEU A 25 4.076 5.823 10.257 1.00 0.00 N ATOM 341 CA LEU A 25 5.016 5.742 9.145 1.00 0.00 C ATOM 342 C LEU A 25 4.995 4.353 8.514 1.00 0.00 C ATOM 343 O LEU A 25 4.720 3.359 9.186 1.00 0.00 O ATOM 344 CB LEU A 25 6.431 6.076 9.621 1.00 0.00 C ATOM 345 CG LEU A 25 7.547 5.894 8.592 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.673 6.885 8.843 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.073 4.466 8.623 1.00 0.00 C ATOM 0 H LEU A 25 4.008 4.971 10.814 1.00 0.00 H new ATOM 0 HA LEU A 25 4.712 6.469 8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.443 7.112 9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.658 5.454 10.487 1.00 0.00 H new ATOM 0 HG LEU A 25 7.136 6.087 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.458 6.740 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.286 7.901 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.083 6.725 9.840 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.867 4.354 7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.467 4.245 9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.263 3.775 8.392 1.00 0.00 H new ATOM 359 N CYS A 26 5.288 4.293 7.219 1.00 0.00 N ATOM 360 CA CYS A 26 5.304 3.026 6.497 1.00 0.00 C ATOM 361 C CYS A 26 6.679 2.369 6.583 1.00 0.00 C ATOM 362 O CYS A 26 7.570 2.662 5.786 1.00 0.00 O ATOM 363 CB CYS A 26 4.922 3.246 5.032 1.00 0.00 C ATOM 364 SG CYS A 26 4.626 1.708 4.102 1.00 0.00 S ATOM 0 H CYS A 26 5.517 5.107 6.648 1.00 0.00 H new ATOM 0 HA CYS A 26 4.574 2.362 6.960 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.024 3.862 4.990 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.717 3.808 4.541 1.00 0.00 H new ATOM 0 HG CYS A 26 3.654 1.046 4.656 1.00 0.00 H new ATOM 369 N VAL A 27 6.843 1.478 7.556 1.00 0.00 N ATOM 370 CA VAL A 27 8.107 0.778 7.746 1.00 0.00 C ATOM 371 C VAL A 27 8.536 0.062 6.470 1.00 0.00 C ATOM 372 O VAL A 27 9.705 -0.285 6.303 1.00 0.00 O ATOM 373 CB VAL A 27 8.014 -0.249 8.890 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.576 -1.605 8.357 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.345 -0.357 9.618 1.00 0.00 C ATOM 0 H VAL A 27 6.116 1.224 8.225 1.00 0.00 H new ATOM 0 HA VAL A 27 8.850 1.532 8.004 1.00 0.00 H new ATOM 0 HB VAL A 27 7.263 0.094 9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.516 -2.317 9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.598 -1.512 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.300 -1.959 7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.261 -1.087 10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.118 -0.676 8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.611 0.614 10.035 1.00 0.00 H new ATOM 385 N VAL A 28 7.582 -0.155 5.570 1.00 0.00 N ATOM 386 CA VAL A 28 7.861 -0.828 4.307 1.00 0.00 C ATOM 387 C VAL A 28 8.729 0.039 3.403 1.00 0.00 C ATOM 388 O VAL A 28 9.863 -0.320 3.082 1.00 0.00 O ATOM 389 CB VAL A 28 6.561 -1.185 3.563 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.858 -2.076 2.366 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.574 -1.857 4.506 1.00 0.00 C ATOM 0 H VAL A 28 6.609 0.126 5.692 1.00 0.00 H new ATOM 0 HA VAL A 28 8.397 -1.746 4.549 1.00 0.00 H new ATOM 0 HB VAL A 28 6.108 -0.264 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.927 -2.318 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.525 -1.554 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.334 -2.996 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.661 -2.102 3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.016 -2.770 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.337 -1.180 5.327 1.00 0.00 H new ATOM 401 N CYS A 29 8.191 1.184 2.995 1.00 0.00 N ATOM 402 CA CYS A 29 8.916 2.103 2.127 1.00 0.00 C ATOM 403 C CYS A 29 9.484 3.273 2.926 1.00 0.00 C ATOM 404 O CYS A 29 9.772 4.334 2.374 1.00 0.00 O ATOM 405 CB CYS A 29 7.997 2.626 1.021 1.00 0.00 C ATOM 406 SG CYS A 29 6.556 3.559 1.631 1.00 0.00 S ATOM 0 H CYS A 29 7.255 1.497 3.252 1.00 0.00 H new ATOM 0 HA CYS A 29 9.745 1.558 1.675 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.576 3.266 0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.645 1.783 0.427 1.00 0.00 H new ATOM 0 HG CYS A 29 5.926 2.851 2.521 1.00 0.00 H new ATOM 411 N MET A 30 9.641 3.069 4.230 1.00 0.00 N ATOM 412 CA MET A 30 10.176 4.106 5.106 1.00 0.00 C ATOM 413 C MET A 30 9.712 5.488 4.657 1.00 0.00 C ATOM 414 O MET A 30 10.528 6.380 4.421 1.00 0.00 O ATOM 415 CB MET A 30 11.704 4.049 5.125 1.00 0.00 C ATOM 416 CG MET A 30 12.259 2.893 5.941 1.00 0.00 C ATOM 417 SD MET A 30 12.649 3.365 7.637 1.00 0.00 S ATOM 418 CE MET A 30 11.058 3.135 8.427 1.00 0.00 C ATOM 0 H MET A 30 9.406 2.197 4.703 1.00 0.00 H new ATOM 0 HA MET A 30 9.801 3.926 6.113 1.00 0.00 H new ATOM 0 HB2 MET A 30 12.069 3.968 4.101 1.00 0.00 H new ATOM 0 HB3 MET A 30 12.089 4.986 5.528 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.533 2.080 5.952 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.159 2.511 5.458 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.730 4.077 8.866 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.329 2.806 7.687 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.146 2.382 9.210 1.00 0.00 H new ATOM 428 N CYS A 31 8.400 5.659 4.541 1.00 0.00 N ATOM 429 CA CYS A 31 7.829 6.933 4.120 1.00 0.00 C ATOM 430 C CYS A 31 6.586 7.269 4.938 1.00 0.00 C ATOM 431 O CYS A 31 5.917 6.379 5.463 1.00 0.00 O ATOM 432 CB CYS A 31 7.478 6.891 2.632 1.00 0.00 C ATOM 433 SG CYS A 31 8.912 6.979 1.533 1.00 0.00 S ATOM 0 H CYS A 31 7.712 4.931 4.733 1.00 0.00 H new ATOM 0 HA CYS A 31 8.574 7.710 4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.930 5.972 2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.808 7.720 2.404 1.00 0.00 H new ATOM 0 HG CYS A 31 9.583 5.868 1.605 1.00 0.00 H new ATOM 439 N ASP A 32 6.285 8.558 5.044 1.00 0.00 N ATOM 440 CA ASP A 32 5.123 9.013 5.799 1.00 0.00 C ATOM 441 C ASP A 32 3.875 9.023 4.922 1.00 0.00 C ATOM 442 O ASP A 32 3.888 9.556 3.812 1.00 0.00 O ATOM 443 CB ASP A 32 5.373 10.410 6.369 1.00 0.00 C ATOM 444 CG ASP A 32 4.931 11.509 5.423 1.00 0.00 C ATOM 445 OD1 ASP A 32 5.546 11.645 4.344 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.971 12.231 5.760 1.00 0.00 O ATOM 0 H ASP A 32 6.830 9.307 4.617 1.00 0.00 H new ATOM 0 HA ASP A 32 4.961 8.318 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.842 10.514 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.435 10.526 6.585 1.00 0.00 H new ATOM 451 N PHE A 33 2.798 8.430 5.426 1.00 0.00 N ATOM 452 CA PHE A 33 1.542 8.369 4.688 1.00 0.00 C ATOM 453 C PHE A 33 1.034 9.771 4.363 1.00 0.00 C ATOM 454 O PHE A 33 1.012 10.649 5.225 1.00 0.00 O ATOM 455 CB PHE A 33 0.489 7.607 5.494 1.00 0.00 C ATOM 456 CG PHE A 33 1.049 6.449 6.269 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.442 5.289 5.620 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.183 6.520 7.646 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.958 4.221 6.331 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.700 5.456 8.362 1.00 0.00 C ATOM 461 CZ PHE A 33 2.086 4.305 7.703 1.00 0.00 C ATOM 0 H PHE A 33 2.770 7.985 6.343 1.00 0.00 H new ATOM 0 HA PHE A 33 1.725 7.841 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.004 8.296 6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.282 7.241 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.344 5.218 4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.880 7.417 8.166 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.260 3.322 5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.802 5.525 9.435 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.488 3.472 8.260 1.00 0.00 H new ATOM 471 N GLU A 34 0.627 9.972 3.114 1.00 0.00 N ATOM 472 CA GLU A 34 0.121 11.267 2.675 1.00 0.00 C ATOM 473 C GLU A 34 -1.356 11.421 3.027 1.00 0.00 C ATOM 474 O GLU A 34 -2.105 10.444 3.050 1.00 0.00 O ATOM 475 CB GLU A 34 0.317 11.431 1.166 1.00 0.00 C ATOM 476 CG GLU A 34 1.723 11.857 0.778 1.00 0.00 C ATOM 477 CD GLU A 34 1.931 13.354 0.890 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.963 14.107 0.650 1.00 0.00 O ATOM 479 OE2 GLU A 34 3.060 13.774 1.217 1.00 0.00 O ATOM 0 H GLU A 34 0.638 9.255 2.389 1.00 0.00 H new ATOM 0 HA GLU A 34 0.683 12.043 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.083 10.487 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.393 12.170 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.443 11.345 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.925 11.542 -0.246 1.00 0.00 H new ATOM 486 N SER A 35 -1.768 12.655 3.300 1.00 0.00 N ATOM 487 CA SER A 35 -3.153 12.938 3.655 1.00 0.00 C ATOM 488 C SER A 35 -4.097 12.534 2.526 1.00 0.00 C ATOM 489 O SER A 35 -3.742 12.610 1.349 1.00 0.00 O ATOM 490 CB SER A 35 -3.327 14.424 3.974 1.00 0.00 C ATOM 491 OG SER A 35 -3.208 15.214 2.804 1.00 0.00 O ATOM 0 H SER A 35 -1.162 13.475 3.282 1.00 0.00 H new ATOM 0 HA SER A 35 -3.402 12.353 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.303 14.589 4.430 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.578 14.733 4.703 1.00 0.00 H new ATOM 0 HG SER A 35 -3.325 16.159 3.034 1.00 0.00 H new ATOM 497 N ARG A 36 -5.300 12.106 2.893 1.00 0.00 N ATOM 498 CA ARG A 36 -6.295 11.690 1.912 1.00 0.00 C ATOM 499 C ARG A 36 -5.805 10.481 1.120 1.00 0.00 C ATOM 500 O ARG A 36 -5.803 10.493 -0.110 1.00 0.00 O ATOM 501 CB ARG A 36 -6.615 12.842 0.958 1.00 0.00 C ATOM 502 CG ARG A 36 -7.315 14.012 1.630 1.00 0.00 C ATOM 503 CD ARG A 36 -6.957 15.332 0.964 1.00 0.00 C ATOM 504 NE ARG A 36 -7.441 16.479 1.727 1.00 0.00 N ATOM 505 CZ ARG A 36 -8.670 16.970 1.615 1.00 0.00 C ATOM 506 NH1 ARG A 36 -9.535 16.417 0.776 1.00 0.00 N ATOM 507 NH2 ARG A 36 -9.037 18.017 2.343 1.00 0.00 N ATOM 0 H ARG A 36 -5.609 12.038 3.863 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.201 11.409 2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.689 13.195 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.244 12.469 0.149 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.394 13.864 1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.037 14.047 2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.875 15.401 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.382 15.359 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.800 16.928 2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.257 15.612 0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.478 16.796 0.692 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.375 18.446 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.981 18.393 2.256 1.00 0.00 H new ATOM 521 N GLN A 37 -5.390 9.440 1.836 1.00 0.00 N ATOM 522 CA GLN A 37 -4.896 8.225 1.199 1.00 0.00 C ATOM 523 C GLN A 37 -5.311 6.989 1.991 1.00 0.00 C ATOM 524 O GLN A 37 -5.227 6.968 3.219 1.00 0.00 O ATOM 525 CB GLN A 37 -3.373 8.274 1.070 1.00 0.00 C ATOM 526 CG GLN A 37 -2.860 9.537 0.397 1.00 0.00 C ATOM 527 CD GLN A 37 -2.941 9.467 -1.115 1.00 0.00 C ATOM 528 OE1 GLN A 37 -1.945 8.844 -1.733 1.00 0.00 O flip ATOM 529 NE2 GLN A 37 -3.888 9.968 -1.722 1.00 0.00 N flip ATOM 0 H GLN A 37 -5.386 9.414 2.856 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.336 8.162 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.930 8.196 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.037 7.407 0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.438 10.392 0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.825 9.708 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.633 10.438 -1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.928 9.913 -2.740 1.00 0.00 H new ATOM 538 N LEU A 38 -5.760 5.960 1.280 1.00 0.00 N ATOM 539 CA LEU A 38 -6.189 4.720 1.916 1.00 0.00 C ATOM 540 C LEU A 38 -5.001 3.979 2.521 1.00 0.00 C ATOM 541 O LEU A 38 -4.014 3.703 1.838 1.00 0.00 O ATOM 542 CB LEU A 38 -6.901 3.823 0.901 1.00 0.00 C ATOM 543 CG LEU A 38 -7.983 2.901 1.464 1.00 0.00 C ATOM 544 CD1 LEU A 38 -7.371 1.864 2.393 1.00 0.00 C ATOM 545 CD2 LEU A 38 -9.047 3.709 2.191 1.00 0.00 C ATOM 0 H LEU A 38 -5.836 5.960 0.263 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.883 4.973 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.353 4.458 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.152 3.209 0.401 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.457 2.379 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.156 1.217 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.647 1.264 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.870 2.367 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.809 3.036 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.588 4.259 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.508 4.412 1.497 1.00 0.00 H new ATOM 557 N LEU A 39 -5.103 3.658 3.806 1.00 0.00 N ATOM 558 CA LEU A 39 -4.038 2.946 4.504 1.00 0.00 C ATOM 559 C LEU A 39 -4.584 1.716 5.222 1.00 0.00 C ATOM 560 O LEU A 39 -5.797 1.526 5.313 1.00 0.00 O ATOM 561 CB LEU A 39 -3.351 3.874 5.508 1.00 0.00 C ATOM 562 CG LEU A 39 -2.831 5.200 4.950 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.301 6.079 6.072 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.751 4.953 3.907 1.00 0.00 C ATOM 0 H LEU A 39 -5.912 3.879 4.386 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.309 2.617 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.055 4.092 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.514 3.337 5.954 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.659 5.720 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.935 7.018 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.102 6.284 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.486 5.566 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.393 5.907 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.922 4.412 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.164 4.363 3.089 1.00 0.00 H new ATOM 576 N ARG A 40 -3.680 0.886 5.733 1.00 0.00 N ATOM 577 CA ARG A 40 -4.072 -0.325 6.444 1.00 0.00 C ATOM 578 C ARG A 40 -3.406 -0.390 7.815 1.00 0.00 C ATOM 579 O ARG A 40 -2.180 -0.363 7.923 1.00 0.00 O ATOM 580 CB ARG A 40 -3.702 -1.564 5.626 1.00 0.00 C ATOM 581 CG ARG A 40 -4.776 -1.983 4.636 1.00 0.00 C ATOM 582 CD ARG A 40 -5.748 -2.976 5.254 1.00 0.00 C ATOM 583 NE ARG A 40 -5.336 -4.359 5.028 1.00 0.00 N ATOM 584 CZ ARG A 40 -5.664 -5.055 3.946 1.00 0.00 C ATOM 585 NH1 ARG A 40 -6.404 -4.501 2.995 1.00 0.00 N ATOM 586 NH2 ARG A 40 -5.251 -6.309 3.812 1.00 0.00 N ATOM 0 H ARG A 40 -2.672 1.030 5.668 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.153 -0.300 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.777 -1.368 5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.504 -2.392 6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.321 -1.103 4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.309 -2.428 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.823 -2.791 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.741 -2.820 4.833 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.765 -4.815 5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.723 -3.537 3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.654 -5.039 2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.681 -6.739 4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.503 -6.843 2.980 1.00 0.00 H new ATOM 600 N VAL A 41 -4.222 -0.474 8.861 1.00 0.00 N ATOM 601 CA VAL A 41 -3.712 -0.543 10.225 1.00 0.00 C ATOM 602 C VAL A 41 -3.603 -1.988 10.698 1.00 0.00 C ATOM 603 O VAL A 41 -4.612 -2.649 10.948 1.00 0.00 O ATOM 604 CB VAL A 41 -4.612 0.239 11.200 1.00 0.00 C ATOM 605 CG1 VAL A 41 -4.040 0.193 12.609 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.783 1.676 10.732 1.00 0.00 C ATOM 0 H VAL A 41 -5.239 -0.496 8.790 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.720 -0.091 10.216 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.595 -0.232 11.217 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.689 0.751 13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.975 -0.843 12.942 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.045 0.638 12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.422 2.213 11.433 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.808 2.161 10.684 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.242 1.684 9.743 1.00 0.00 H new ATOM 616 N LEU A 42 -2.373 -2.473 10.821 1.00 0.00 N ATOM 617 CA LEU A 42 -2.130 -3.841 11.266 1.00 0.00 C ATOM 618 C LEU A 42 -2.785 -4.098 12.619 1.00 0.00 C ATOM 619 O LEU A 42 -3.081 -3.175 13.378 1.00 0.00 O ATOM 620 CB LEU A 42 -0.627 -4.111 11.354 1.00 0.00 C ATOM 621 CG LEU A 42 0.080 -4.410 10.032 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.494 -4.909 10.283 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.711 -5.427 9.222 1.00 0.00 C ATOM 0 H LEU A 42 -1.528 -1.939 10.619 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.572 -4.518 10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.149 -3.245 11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.468 -4.954 12.026 1.00 0.00 H new ATOM 0 HG LEU A 42 0.140 -3.486 9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.981 -5.116 9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.059 -4.147 10.821 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.458 -5.821 10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.193 -5.628 8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.804 -6.352 9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.704 -5.030 9.010 1.00 0.00 H new ATOM 635 N PRO A 43 -3.015 -5.382 12.932 1.00 0.00 N ATOM 636 CA PRO A 43 -3.634 -5.790 14.197 1.00 0.00 C ATOM 637 C PRO A 43 -2.715 -5.561 15.392 1.00 0.00 C ATOM 638 O PRO A 43 -3.013 -5.989 16.508 1.00 0.00 O ATOM 639 CB PRO A 43 -3.891 -7.286 13.999 1.00 0.00 C ATOM 640 CG PRO A 43 -2.884 -7.713 12.988 1.00 0.00 C ATOM 641 CD PRO A 43 -2.687 -6.534 12.076 1.00 0.00 C ATOM 0 HA PRO A 43 -4.533 -5.214 14.416 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.772 -7.835 14.933 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.907 -7.470 13.648 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.947 -7.997 13.467 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.234 -8.582 12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.664 -6.480 11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.340 -6.586 11.205 1.00 0.00 H new ATOM 649 N CYS A 44 -1.598 -4.883 15.153 1.00 0.00 N ATOM 650 CA CYS A 44 -0.635 -4.597 16.210 1.00 0.00 C ATOM 651 C CYS A 44 -0.500 -3.093 16.430 1.00 0.00 C ATOM 652 O CYS A 44 0.500 -2.622 16.969 1.00 0.00 O ATOM 653 CB CYS A 44 0.729 -5.197 15.862 1.00 0.00 C ATOM 654 SG CYS A 44 1.172 -5.066 14.100 1.00 0.00 S ATOM 0 H CYS A 44 -1.337 -4.521 14.236 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.999 -5.050 17.132 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.495 -4.699 16.456 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.736 -6.248 16.150 1.00 0.00 H new ATOM 0 HG CYS A 44 2.007 -4.083 13.934 1.00 0.00 H new ATOM 659 N ASN A 45 -1.515 -2.346 16.008 1.00 0.00 N ATOM 660 CA ASN A 45 -1.510 -0.895 16.158 1.00 0.00 C ATOM 661 C ASN A 45 -0.401 -0.265 15.322 1.00 0.00 C ATOM 662 O ASN A 45 0.403 0.520 15.826 1.00 0.00 O ATOM 663 CB ASN A 45 -1.333 -0.515 17.629 1.00 0.00 C ATOM 664 CG ASN A 45 -2.431 -1.082 18.509 1.00 0.00 C ATOM 665 OD1 ASN A 45 -2.168 -1.866 19.420 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.669 -0.686 18.239 1.00 0.00 N ATOM 0 H ASN A 45 -2.351 -2.721 15.560 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.468 -0.515 15.803 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.366 -0.876 17.981 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.321 0.571 17.722 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.449 -1.034 18.797 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.840 -0.034 17.473 1.00 0.00 H new ATOM 673 N HIS A 46 -0.363 -0.614 14.039 1.00 0.00 N ATOM 674 CA HIS A 46 0.648 -0.082 13.132 1.00 0.00 C ATOM 675 C HIS A 46 0.026 0.305 11.793 1.00 0.00 C ATOM 676 O HIS A 46 -0.735 -0.464 11.207 1.00 0.00 O ATOM 677 CB HIS A 46 1.759 -1.109 12.913 1.00 0.00 C ATOM 678 CG HIS A 46 2.750 -1.168 14.034 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.340 -2.341 14.456 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.255 -0.190 14.822 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.164 -2.081 15.456 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.131 -0.783 15.697 1.00 0.00 N ATOM 0 H HIS A 46 -1.020 -1.262 13.605 1.00 0.00 H new ATOM 0 HA HIS A 46 1.075 0.812 13.587 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.311 -2.094 12.783 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.284 -0.873 11.987 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.014 0.861 14.772 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.763 -2.807 15.986 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.669 -0.300 16.416 1.00 0.00 H new ATOM 690 N GLU A 47 0.354 1.502 11.318 1.00 0.00 N ATOM 691 CA GLU A 47 -0.174 1.991 10.050 1.00 0.00 C ATOM 692 C GLU A 47 0.732 1.587 8.891 1.00 0.00 C ATOM 693 O GLU A 47 1.951 1.497 9.043 1.00 0.00 O ATOM 694 CB GLU A 47 -0.325 3.513 10.087 1.00 0.00 C ATOM 695 CG GLU A 47 -1.094 4.019 11.297 1.00 0.00 C ATOM 696 CD GLU A 47 -0.366 3.758 12.601 1.00 0.00 C ATOM 697 OE1 GLU A 47 0.829 4.107 12.693 1.00 0.00 O ATOM 698 OE2 GLU A 47 -0.992 3.204 13.529 1.00 0.00 O ATOM 0 H GLU A 47 0.983 2.151 11.792 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.154 1.540 9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.665 3.968 10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.833 3.841 9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.268 5.090 11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.072 3.538 11.328 1.00 0.00 H new ATOM 705 N PHE A 48 0.129 1.345 7.732 1.00 0.00 N ATOM 706 CA PHE A 48 0.881 0.949 6.547 1.00 0.00 C ATOM 707 C PHE A 48 0.173 1.408 5.275 1.00 0.00 C ATOM 708 O PHE A 48 -0.948 1.915 5.324 1.00 0.00 O ATOM 709 CB PHE A 48 1.068 -0.570 6.519 1.00 0.00 C ATOM 710 CG PHE A 48 1.863 -1.096 7.680 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.245 -1.169 7.615 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.227 -1.519 8.836 1.00 0.00 C ATOM 713 CE1 PHE A 48 3.979 -1.653 8.681 1.00 0.00 C ATOM 714 CE2 PHE A 48 1.956 -2.004 9.906 1.00 0.00 C ATOM 715 CZ PHE A 48 3.333 -2.072 9.828 1.00 0.00 C ATOM 0 H PHE A 48 -0.878 1.416 7.588 1.00 0.00 H new ATOM 0 HA PHE A 48 1.859 1.428 6.592 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.089 -1.049 6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.566 -0.850 5.591 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.755 -0.844 6.720 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.150 -1.469 8.902 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.056 -1.704 8.618 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.449 -2.329 10.802 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.904 -2.452 10.662 1.00 0.00 H new ATOM 725 N HIS A 49 0.836 1.227 4.138 1.00 0.00 N ATOM 726 CA HIS A 49 0.272 1.623 2.852 1.00 0.00 C ATOM 727 C HIS A 49 -0.542 0.485 2.243 1.00 0.00 C ATOM 728 O HIS A 49 -0.014 -0.593 1.972 1.00 0.00 O ATOM 729 CB HIS A 49 1.383 2.042 1.890 1.00 0.00 C ATOM 730 CG HIS A 49 1.743 3.493 1.986 1.00 0.00 C ATOM 731 ND1 HIS A 49 3.043 3.951 1.940 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.963 4.591 2.124 1.00 0.00 C ATOM 733 CE1 HIS A 49 3.047 5.268 2.048 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.798 5.681 2.160 1.00 0.00 N ATOM 0 H HIS A 49 1.764 0.809 4.080 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.391 2.472 3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.271 1.442 2.090 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.071 1.820 0.869 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.872 3.365 1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.115 4.607 2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.923 5.899 2.045 1.00 0.00 H new ATOM 742 N ALA A 50 -1.830 0.733 2.031 1.00 0.00 N ATOM 743 CA ALA A 50 -2.716 -0.270 1.453 1.00 0.00 C ATOM 744 C ALA A 50 -2.045 -0.990 0.288 1.00 0.00 C ATOM 745 O ALA A 50 -2.344 -2.150 0.005 1.00 0.00 O ATOM 746 CB ALA A 50 -4.018 0.374 0.999 1.00 0.00 C ATOM 0 H ALA A 50 -2.283 1.620 2.251 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.938 -1.009 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.670 -0.387 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.513 0.836 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.805 1.135 0.248 1.00 0.00 H new ATOM 752 N LYS A 51 -1.136 -0.293 -0.386 1.00 0.00 N ATOM 753 CA LYS A 51 -0.421 -0.865 -1.521 1.00 0.00 C ATOM 754 C LYS A 51 0.807 -1.641 -1.056 1.00 0.00 C ATOM 755 O LYS A 51 1.030 -2.778 -1.473 1.00 0.00 O ATOM 756 CB LYS A 51 -0.001 0.239 -2.494 1.00 0.00 C ATOM 757 CG LYS A 51 0.866 1.313 -1.858 1.00 0.00 C ATOM 758 CD LYS A 51 1.126 2.460 -2.819 1.00 0.00 C ATOM 759 CE LYS A 51 -0.024 3.456 -2.823 1.00 0.00 C ATOM 760 NZ LYS A 51 0.002 4.338 -1.624 1.00 0.00 N ATOM 0 H LYS A 51 -0.877 0.669 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.093 -1.555 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.542 -0.209 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.895 0.704 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.377 1.692 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.815 0.878 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.048 2.969 -2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.272 2.067 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.028 4.067 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.971 2.917 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.712 5.087 -1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.208 3.776 -0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.944 4.768 -1.530 1.00 0.00 H new ATOM 774 N CYS A 52 1.599 -1.021 -0.187 1.00 0.00 N ATOM 775 CA CYS A 52 2.804 -1.654 0.336 1.00 0.00 C ATOM 776 C CYS A 52 2.459 -2.920 1.115 1.00 0.00 C ATOM 777 O CYS A 52 2.762 -4.031 0.681 1.00 0.00 O ATOM 778 CB CYS A 52 3.567 -0.680 1.236 1.00 0.00 C ATOM 779 SG CYS A 52 4.108 0.842 0.394 1.00 0.00 S ATOM 0 H CYS A 52 1.428 -0.081 0.170 1.00 0.00 H new ATOM 0 HA CYS A 52 3.436 -1.929 -0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.933 -0.410 2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.441 -1.187 1.644 1.00 0.00 H new ATOM 0 HG CYS A 52 4.940 1.487 1.156 1.00 0.00 H new ATOM 784 N VAL A 53 1.822 -2.743 2.269 1.00 0.00 N ATOM 785 CA VAL A 53 1.434 -3.870 3.109 1.00 0.00 C ATOM 786 C VAL A 53 0.905 -5.026 2.267 1.00 0.00 C ATOM 787 O VAL A 53 1.165 -6.192 2.563 1.00 0.00 O ATOM 788 CB VAL A 53 0.359 -3.462 4.134 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.000 -3.341 3.463 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.310 -4.462 5.280 1.00 0.00 C ATOM 0 H VAL A 53 1.564 -1.830 2.643 1.00 0.00 H new ATOM 0 HA VAL A 53 2.329 -4.192 3.641 1.00 0.00 H new ATOM 0 HB VAL A 53 0.623 -2.487 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.747 -3.052 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.953 -2.584 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.276 -4.300 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.455 -4.159 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.070 -5.451 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.280 -4.493 5.777 1.00 0.00 H new ATOM 800 N ASP A 54 0.162 -4.694 1.217 1.00 0.00 N ATOM 801 CA ASP A 54 -0.403 -5.705 0.330 1.00 0.00 C ATOM 802 C ASP A 54 0.694 -6.594 -0.248 1.00 0.00 C ATOM 803 O ASP A 54 0.608 -7.821 -0.192 1.00 0.00 O ATOM 804 CB ASP A 54 -1.188 -5.040 -0.802 1.00 0.00 C ATOM 805 CG ASP A 54 -1.231 -5.892 -2.055 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.348 -7.128 -1.927 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.146 -5.322 -3.163 1.00 0.00 O ATOM 0 H ASP A 54 -0.063 -3.733 0.959 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.081 -6.328 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.206 -4.841 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.736 -4.076 -1.037 1.00 0.00 H new ATOM 812 N LYS A 55 1.724 -5.967 -0.806 1.00 0.00 N ATOM 813 CA LYS A 55 2.838 -6.700 -1.395 1.00 0.00 C ATOM 814 C LYS A 55 3.649 -7.416 -0.319 1.00 0.00 C ATOM 815 O LYS A 55 3.986 -8.591 -0.463 1.00 0.00 O ATOM 816 CB LYS A 55 3.743 -5.748 -2.181 1.00 0.00 C ATOM 817 CG LYS A 55 3.349 -5.601 -3.641 1.00 0.00 C ATOM 818 CD LYS A 55 4.482 -5.017 -4.468 1.00 0.00 C ATOM 819 CE LYS A 55 5.575 -6.044 -4.720 1.00 0.00 C ATOM 820 NZ LYS A 55 6.844 -5.405 -5.167 1.00 0.00 N ATOM 0 H LYS A 55 1.810 -4.952 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 55 2.429 -7.448 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.723 -4.767 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.770 -6.108 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.068 -6.575 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.472 -4.959 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.091 -4.659 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.904 -4.155 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.756 -6.613 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.239 -6.753 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.564 -6.138 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.677 -4.883 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.178 -4.747 -4.434 1.00 0.00 H new ATOM 834 N TRP A 56 3.956 -6.701 0.757 1.00 0.00 N ATOM 835 CA TRP A 56 4.726 -7.270 1.857 1.00 0.00 C ATOM 836 C TRP A 56 4.052 -8.524 2.402 1.00 0.00 C ATOM 837 O TRP A 56 4.652 -9.599 2.435 1.00 0.00 O ATOM 838 CB TRP A 56 4.893 -6.239 2.976 1.00 0.00 C ATOM 839 CG TRP A 56 5.525 -6.802 4.212 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.882 -7.254 5.329 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.926 -6.971 4.458 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.799 -7.694 6.254 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.059 -7.531 5.743 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.080 -6.705 3.716 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.300 -7.828 6.300 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.311 -7.000 4.271 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.413 -7.557 5.552 1.00 0.00 C ATOM 0 H TRP A 56 3.684 -5.727 0.891 1.00 0.00 H new ATOM 0 HA TRP A 56 5.709 -7.545 1.475 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.501 -5.412 2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.916 -5.828 3.231 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.811 -7.264 5.466 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.577 -8.079 7.172 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.011 -6.277 2.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.381 -8.257 7.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.210 -6.798 3.707 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.390 -7.777 5.957 1.00 0.00 H new ATOM 858 N LEU A 57 2.801 -8.382 2.828 1.00 0.00 N ATOM 859 CA LEU A 57 2.045 -9.505 3.371 1.00 0.00 C ATOM 860 C LEU A 57 2.224 -10.750 2.508 1.00 0.00 C ATOM 861 O LEU A 57 2.274 -11.870 3.017 1.00 0.00 O ATOM 862 CB LEU A 57 0.561 -9.146 3.469 1.00 0.00 C ATOM 863 CG LEU A 57 0.187 -8.124 4.543 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.245 -7.649 4.351 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.372 -8.718 5.932 1.00 0.00 C ATOM 0 H LEU A 57 2.289 -7.500 2.808 1.00 0.00 H new ATOM 0 HA LEU A 57 2.427 -9.720 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.236 -8.762 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.002 -10.061 3.655 1.00 0.00 H new ATOM 0 HG LEU A 57 0.850 -7.264 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.494 -6.922 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.346 -7.184 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.923 -8.500 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.101 -7.977 6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.266 -9.595 6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.414 -9.008 6.068 1.00 0.00 H new ATOM 877 N LYS A 58 2.321 -10.546 1.198 1.00 0.00 N ATOM 878 CA LYS A 58 2.498 -11.651 0.263 1.00 0.00 C ATOM 879 C LYS A 58 3.793 -12.404 0.549 1.00 0.00 C ATOM 880 O LYS A 58 3.821 -13.634 0.542 1.00 0.00 O ATOM 881 CB LYS A 58 2.505 -11.131 -1.176 1.00 0.00 C ATOM 882 CG LYS A 58 1.958 -12.126 -2.185 1.00 0.00 C ATOM 883 CD LYS A 58 1.787 -11.493 -3.556 1.00 0.00 C ATOM 884 CE LYS A 58 0.392 -10.912 -3.731 1.00 0.00 C ATOM 885 NZ LYS A 58 -0.606 -11.960 -4.081 1.00 0.00 N ATOM 0 H LYS A 58 2.280 -9.626 0.760 1.00 0.00 H new ATOM 0 HA LYS A 58 1.663 -12.340 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.916 -10.215 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.526 -10.869 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.633 -12.979 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.998 -12.508 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.529 -10.706 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.971 -12.240 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.088 -10.414 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.410 -10.153 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.543 -11.524 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.330 -12.418 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.643 -12.671 -3.323 1.00 0.00 H new ATOM 899 N ALA A 59 4.863 -11.658 0.802 1.00 0.00 N ATOM 900 CA ALA A 59 6.160 -12.255 1.094 1.00 0.00 C ATOM 901 C ALA A 59 6.222 -12.757 2.533 1.00 0.00 C ATOM 902 O ALA A 59 6.656 -13.878 2.791 1.00 0.00 O ATOM 903 CB ALA A 59 7.274 -11.252 0.834 1.00 0.00 C ATOM 0 H ALA A 59 4.857 -10.638 0.811 1.00 0.00 H new ATOM 0 HA ALA A 59 6.295 -13.111 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.237 -11.712 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.251 -10.946 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.133 -10.379 1.471 1.00 0.00 H new ATOM 909 N ASN A 60 5.786 -11.917 3.466 1.00 0.00 N ATOM 910 CA ASN A 60 5.793 -12.275 4.880 1.00 0.00 C ATOM 911 C ASN A 60 4.437 -11.993 5.520 1.00 0.00 C ATOM 912 O ASN A 60 3.926 -10.875 5.447 1.00 0.00 O ATOM 913 CB ASN A 60 6.888 -11.502 5.618 1.00 0.00 C ATOM 914 CG ASN A 60 8.279 -11.874 5.141 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.987 -12.642 5.793 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.678 -11.328 3.998 1.00 0.00 N ATOM 0 H ASN A 60 5.424 -10.984 3.269 1.00 0.00 H new ATOM 0 HA ASN A 60 5.996 -13.343 4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.732 -10.432 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.809 -11.697 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.604 -11.540 3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.058 -10.697 3.491 1.00 0.00 H new ATOM 923 N ARG A 61 3.861 -13.013 6.146 1.00 0.00 N ATOM 924 CA ARG A 61 2.564 -12.875 6.799 1.00 0.00 C ATOM 925 C ARG A 61 2.720 -12.298 8.202 1.00 0.00 C ATOM 926 O ARG A 61 1.938 -12.605 9.103 1.00 0.00 O ATOM 927 CB ARG A 61 1.858 -14.230 6.868 1.00 0.00 C ATOM 928 CG ARG A 61 1.601 -14.854 5.506 1.00 0.00 C ATOM 929 CD ARG A 61 0.447 -15.843 5.555 1.00 0.00 C ATOM 930 NE ARG A 61 0.361 -16.645 4.337 1.00 0.00 N ATOM 931 CZ ARG A 61 -0.231 -16.230 3.224 1.00 0.00 C ATOM 932 NH1 ARG A 61 -0.788 -15.027 3.174 1.00 0.00 N ATOM 933 NH2 ARG A 61 -0.268 -17.017 2.157 1.00 0.00 N ATOM 0 H ARG A 61 4.271 -13.944 6.215 1.00 0.00 H new ATOM 0 HA ARG A 61 1.959 -12.187 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.462 -14.915 7.464 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.908 -14.109 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.379 -14.070 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.502 -15.361 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.570 -16.502 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.488 -15.302 5.700 1.00 0.00 H new ATOM 0 HE ARG A 61 0.779 -17.575 4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.762 -14.419 3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.242 -14.711 2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.159 -17.943 2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.723 -16.696 1.302 1.00 0.00 H new ATOM 947 N THR A 62 3.737 -11.461 8.383 1.00 0.00 N ATOM 948 CA THR A 62 3.997 -10.842 9.677 1.00 0.00 C ATOM 949 C THR A 62 4.235 -9.344 9.532 1.00 0.00 C ATOM 950 O THR A 62 4.473 -8.846 8.431 1.00 0.00 O ATOM 951 CB THR A 62 5.216 -11.480 10.369 1.00 0.00 C ATOM 952 OG1 THR A 62 6.386 -11.304 9.562 1.00 0.00 O ATOM 953 CG2 THR A 62 4.984 -12.962 10.617 1.00 0.00 C ATOM 0 H THR A 62 4.394 -11.196 7.649 1.00 0.00 H new ATOM 0 HA THR A 62 3.112 -11.008 10.291 1.00 0.00 H new ATOM 0 HB THR A 62 5.360 -10.985 11.330 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.157 -11.711 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.859 -13.390 11.107 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.111 -13.092 11.256 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.816 -13.468 9.666 1.00 0.00 H new ATOM 961 N CYS A 63 4.171 -8.628 10.649 1.00 0.00 N ATOM 962 CA CYS A 63 4.380 -7.185 10.647 1.00 0.00 C ATOM 963 C CYS A 63 5.859 -6.850 10.477 1.00 0.00 C ATOM 964 O CYS A 63 6.716 -7.308 11.233 1.00 0.00 O ATOM 965 CB CYS A 63 3.853 -6.571 11.946 1.00 0.00 C ATOM 966 SG CYS A 63 4.204 -4.792 12.123 1.00 0.00 S ATOM 0 H CYS A 63 3.976 -9.024 11.569 1.00 0.00 H new ATOM 0 HA CYS A 63 3.831 -6.764 9.805 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.775 -6.725 11.997 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.291 -7.103 12.791 1.00 0.00 H new ATOM 0 HG CYS A 63 4.704 -4.336 11.013 1.00 0.00 H new ATOM 971 N PRO A 64 6.166 -6.031 9.460 1.00 0.00 N ATOM 972 CA PRO A 64 7.541 -5.615 9.166 1.00 0.00 C ATOM 973 C PRO A 64 8.099 -4.671 10.225 1.00 0.00 C ATOM 974 O PRO A 64 9.176 -4.098 10.053 1.00 0.00 O ATOM 975 CB PRO A 64 7.414 -4.896 7.821 1.00 0.00 C ATOM 976 CG PRO A 64 6.004 -4.419 7.778 1.00 0.00 C ATOM 977 CD PRO A 64 5.195 -5.448 8.519 1.00 0.00 C ATOM 0 HA PRO A 64 8.228 -6.461 9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.115 -4.065 7.749 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.630 -5.568 6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.910 -3.438 8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.658 -4.317 6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.351 -4.997 9.041 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.787 -6.201 7.844 1.00 0.00 H new ATOM 985 N ILE A 65 7.362 -4.513 11.319 1.00 0.00 N ATOM 986 CA ILE A 65 7.786 -3.639 12.405 1.00 0.00 C ATOM 987 C ILE A 65 8.036 -4.432 13.683 1.00 0.00 C ATOM 988 O ILE A 65 9.163 -4.499 14.175 1.00 0.00 O ATOM 989 CB ILE A 65 6.738 -2.546 12.690 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.436 -1.755 11.415 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.226 -1.618 13.792 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.553 -0.549 11.648 1.00 0.00 C ATOM 0 H ILE A 65 6.468 -4.979 11.477 1.00 0.00 H new ATOM 0 HA ILE A 65 8.715 -3.167 12.085 1.00 0.00 H new ATOM 0 HB ILE A 65 5.818 -3.024 13.026 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.375 -1.427 10.969 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.954 -2.414 10.693 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.475 -0.852 13.982 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.396 -2.192 14.703 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.158 -1.144 13.483 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.380 -0.036 10.702 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.599 -0.872 12.065 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.042 0.131 12.345 1.00 0.00 H new ATOM 1004 N CYS A 66 6.978 -5.033 14.217 1.00 0.00 N ATOM 1005 CA CYS A 66 7.081 -5.824 15.437 1.00 0.00 C ATOM 1006 C CYS A 66 6.923 -7.311 15.137 1.00 0.00 C ATOM 1007 O CYS A 66 6.562 -8.097 16.013 1.00 0.00 O ATOM 1008 CB CYS A 66 6.022 -5.381 16.448 1.00 0.00 C ATOM 1009 SG CYS A 66 4.307 -5.622 15.882 1.00 0.00 S ATOM 0 H CYS A 66 6.038 -4.987 13.823 1.00 0.00 H new ATOM 0 HA CYS A 66 8.071 -5.661 15.863 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.168 -5.933 17.376 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.173 -4.326 16.677 1.00 0.00 H new ATOM 0 HG CYS A 66 4.227 -5.350 14.613 1.00 0.00 H new ATOM 1014 N ARG A 67 7.195 -7.690 13.892 1.00 0.00 N ATOM 1015 CA ARG A 67 7.082 -9.083 13.476 1.00 0.00 C ATOM 1016 C ARG A 67 5.875 -9.749 14.129 1.00 0.00 C ATOM 1017 O ARG A 67 5.851 -10.965 14.316 1.00 0.00 O ATOM 1018 CB ARG A 67 8.357 -9.849 13.833 1.00 0.00 C ATOM 1019 CG ARG A 67 9.500 -9.617 12.859 1.00 0.00 C ATOM 1020 CD ARG A 67 10.261 -8.342 13.187 1.00 0.00 C ATOM 1021 NE ARG A 67 10.932 -7.788 12.014 1.00 0.00 N ATOM 1022 CZ ARG A 67 11.831 -6.811 12.075 1.00 0.00 C ATOM 1023 NH1 ARG A 67 12.165 -6.284 13.245 1.00 0.00 N ATOM 1024 NH2 ARG A 67 12.397 -6.360 10.963 1.00 0.00 N ATOM 0 H ARG A 67 7.495 -7.052 13.155 1.00 0.00 H new ATOM 0 HA ARG A 67 6.945 -9.103 12.395 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.678 -9.557 14.833 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.132 -10.915 13.869 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.182 -10.467 12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.108 -9.557 11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.571 -7.602 13.593 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.999 -8.549 13.962 1.00 0.00 H new ATOM 0 HE ARG A 67 10.698 -8.172 11.098 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.732 -6.628 14.102 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.855 -5.534 13.288 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.142 -6.763 10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.087 -5.610 11.010 1.00 0.00 H new ATOM 1038 N ALA A 68 4.875 -8.944 14.473 1.00 0.00 N ATOM 1039 CA ALA A 68 3.665 -9.456 15.104 1.00 0.00 C ATOM 1040 C ALA A 68 2.772 -10.161 14.087 1.00 0.00 C ATOM 1041 O ALA A 68 1.999 -9.519 13.375 1.00 0.00 O ATOM 1042 CB ALA A 68 2.905 -8.326 15.782 1.00 0.00 C ATOM 0 H ALA A 68 4.879 -7.935 14.325 1.00 0.00 H new ATOM 0 HA ALA A 68 3.959 -10.186 15.859 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.004 -8.723 16.249 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.537 -7.868 16.543 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.629 -7.576 15.040 1.00 0.00 H new ATOM 1048 N ASP A 69 2.885 -11.483 14.025 1.00 0.00 N ATOM 1049 CA ASP A 69 2.087 -12.275 13.095 1.00 0.00 C ATOM 1050 C ASP A 69 0.695 -11.675 12.926 1.00 0.00 C ATOM 1051 O ASP A 69 -0.105 -11.664 13.861 1.00 0.00 O ATOM 1052 CB ASP A 69 1.978 -13.719 13.587 1.00 0.00 C ATOM 1053 CG ASP A 69 1.636 -14.686 12.470 1.00 0.00 C ATOM 1054 OD1 ASP A 69 0.488 -14.645 11.981 1.00 0.00 O ATOM 1055 OD2 ASP A 69 2.517 -15.485 12.087 1.00 0.00 O ATOM 0 H ASP A 69 3.521 -12.029 14.607 1.00 0.00 H new ATOM 0 HA ASP A 69 2.586 -12.266 12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.921 -14.016 14.045 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.214 -13.779 14.362 1.00 0.00 H new ATOM 1060 N SER A 70 0.413 -11.176 11.726 1.00 0.00 N ATOM 1061 CA SER A 70 -0.881 -10.570 11.436 1.00 0.00 C ATOM 1062 C SER A 70 -2.016 -11.549 11.719 1.00 0.00 C ATOM 1063 O SER A 70 -2.977 -11.219 12.412 1.00 0.00 O ATOM 1064 CB SER A 70 -0.938 -10.114 9.976 1.00 0.00 C ATOM 1065 OG SER A 70 -2.268 -9.825 9.584 1.00 0.00 O ATOM 0 H SER A 70 1.063 -11.180 10.940 1.00 0.00 H new ATOM 0 HA SER A 70 -1.002 -9.703 12.086 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.316 -9.229 9.844 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.527 -10.892 9.332 1.00 0.00 H new ATOM 0 HG SER A 70 -2.277 -9.534 8.648 1.00 0.00 H new