USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 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 158:sc= -0.962 USER MOD Set 1.2: A 46 HIS : no HE2:sc= -0.288 K(o=-6.1,f=-7.2) USER MOD Set 1.3: A 63 CYS SG : rot 3:sc= -1.43 USER MOD Set 1.4: A 66 CYS SG : rot -36:sc= -3.44! USER MOD Set 2.1: A 26 CYS SG : rot 50:sc= -0.655 USER MOD Set 2.2: A 29 CYS SG : rot -52:sc= -0.639 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -1.51 K(o=-4.1,f=-4.8) USER MOD Set 2.4: A 52 CYS SG : rot 170:sc= -1.28 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -46:sc= -0.234! USER MOD Single : A 30 MET CE :methyl 172:sc= -3.09! (180deg=-3.37!) USER MOD Single : A 31 CYS SG : rot 68:sc= 0.976 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 45 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.019) USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.575) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0693 (180deg=-0.755) USER MOD Single : A 60 ASN : amide:sc= 0.201 K(o=0.2,f=-1.2) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.366 3.955 5.921 1.00 0.00 N ATOM 128 CA TYR A 12 -9.489 5.343 6.349 1.00 0.00 C ATOM 129 C TYR A 12 -8.397 6.205 5.723 1.00 0.00 C ATOM 130 O TYR A 12 -7.304 5.723 5.425 1.00 0.00 O ATOM 131 CB TYR A 12 -9.417 5.438 7.874 1.00 0.00 C ATOM 132 CG TYR A 12 -8.006 5.402 8.417 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.281 4.217 8.444 1.00 0.00 C ATOM 134 CD2 TYR A 12 -7.397 6.553 8.901 1.00 0.00 C ATOM 135 CE1 TYR A 12 -5.992 4.179 8.940 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.108 6.526 9.397 1.00 0.00 C ATOM 137 CZ TYR A 12 -5.410 5.336 9.415 1.00 0.00 C ATOM 138 OH TYR A 12 -4.126 5.303 9.908 1.00 0.00 O ATOM 0 HA TYR A 12 -10.457 5.715 6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.897 6.362 8.195 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.986 4.616 8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.733 3.310 8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.941 7.486 8.889 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.443 3.249 8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.650 7.431 9.768 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.865 6.201 10.201 1.00 0.00 H new ATOM 148 N ARG A 13 -8.702 7.484 5.526 1.00 0.00 N ATOM 149 CA ARG A 13 -7.748 8.415 4.935 1.00 0.00 C ATOM 150 C ARG A 13 -6.872 9.052 6.010 1.00 0.00 C ATOM 151 O ARG A 13 -7.292 9.206 7.157 1.00 0.00 O ATOM 152 CB ARG A 13 -8.483 9.503 4.150 1.00 0.00 C ATOM 153 CG ARG A 13 -8.936 9.057 2.769 1.00 0.00 C ATOM 154 CD ARG A 13 -10.156 9.837 2.304 1.00 0.00 C ATOM 155 NE ARG A 13 -9.790 11.109 1.687 1.00 0.00 N ATOM 156 CZ ARG A 13 -10.558 11.750 0.813 1.00 0.00 C ATOM 157 NH1 ARG A 13 -11.729 11.240 0.456 1.00 0.00 N ATOM 158 NH2 ARG A 13 -10.156 12.903 0.295 1.00 0.00 N ATOM 0 H ARG A 13 -9.602 7.899 5.767 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.108 7.855 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.353 9.827 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.829 10.369 4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.122 9.193 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.169 7.992 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.719 9.237 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.813 10.022 3.154 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.896 11.528 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.042 10.354 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.317 11.734 -0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.256 13.298 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.747 13.394 -0.376 1.00 0.00 H new ATOM 172 N PHE A 14 -5.652 9.419 5.631 1.00 0.00 N ATOM 173 CA PHE A 14 -4.717 10.038 6.563 1.00 0.00 C ATOM 174 C PHE A 14 -5.135 11.470 6.883 1.00 0.00 C ATOM 175 O PHE A 14 -5.509 12.232 5.992 1.00 0.00 O ATOM 176 CB PHE A 14 -3.302 10.026 5.980 1.00 0.00 C ATOM 177 CG PHE A 14 -2.285 10.693 6.862 1.00 0.00 C ATOM 178 CD1 PHE A 14 -1.718 10.012 7.927 1.00 0.00 C ATOM 179 CD2 PHE A 14 -1.896 12.002 6.625 1.00 0.00 C ATOM 180 CE1 PHE A 14 -0.783 10.624 8.740 1.00 0.00 C ATOM 181 CE2 PHE A 14 -0.961 12.619 7.435 1.00 0.00 C ATOM 182 CZ PHE A 14 -0.403 11.929 8.493 1.00 0.00 C ATOM 0 H PHE A 14 -5.288 9.299 4.686 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.728 9.461 7.487 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.998 8.994 5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.313 10.524 5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.010 8.991 8.124 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.328 12.546 5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.350 10.082 9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.667 13.640 7.240 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.329 12.409 9.126 1.00 0.00 H new ATOM 326 N THR A 24 3.333 7.617 12.875 1.00 0.00 N ATOM 327 CA THR A 24 2.685 6.916 11.774 1.00 0.00 C ATOM 328 C THR A 24 3.525 6.991 10.504 1.00 0.00 C ATOM 329 O THR A 24 3.518 8.004 9.803 1.00 0.00 O ATOM 330 CB THR A 24 1.286 7.492 11.486 1.00 0.00 C ATOM 331 OG1 THR A 24 0.675 6.778 10.406 1.00 0.00 O ATOM 332 CG2 THR A 24 1.371 8.971 11.140 1.00 0.00 C ATOM 0 HA THR A 24 2.584 5.874 12.079 1.00 0.00 H new ATOM 0 HB THR A 24 0.679 7.380 12.384 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.323 6.668 9.679 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.371 9.356 10.941 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.809 9.516 11.976 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.994 9.102 10.255 1.00 0.00 H new ATOM 340 N LEU A 25 4.246 5.915 10.212 1.00 0.00 N ATOM 341 CA LEU A 25 5.092 5.859 9.025 1.00 0.00 C ATOM 342 C LEU A 25 5.076 4.463 8.410 1.00 0.00 C ATOM 343 O LEU A 25 4.976 3.461 9.120 1.00 0.00 O ATOM 344 CB LEU A 25 6.526 6.257 9.376 1.00 0.00 C ATOM 345 CG LEU A 25 7.545 6.166 8.240 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.635 7.212 8.415 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.149 4.770 8.176 1.00 0.00 C ATOM 0 H LEU A 25 4.262 5.069 10.781 1.00 0.00 H new ATOM 0 HA LEU A 25 4.695 6.563 8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.517 7.282 9.748 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.867 5.624 10.195 1.00 0.00 H new ATOM 0 HG LEU A 25 7.030 6.362 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.351 7.132 7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.189 8.207 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.147 7.048 9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.872 4.723 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.649 4.546 9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.359 4.039 8.002 1.00 0.00 H new ATOM 359 N CYS A 26 5.176 4.403 7.087 1.00 0.00 N ATOM 360 CA CYS A 26 5.176 3.130 6.376 1.00 0.00 C ATOM 361 C CYS A 26 6.549 2.468 6.444 1.00 0.00 C ATOM 362 O CYS A 26 7.406 2.702 5.592 1.00 0.00 O ATOM 363 CB CYS A 26 4.770 3.339 4.915 1.00 0.00 C ATOM 364 SG CYS A 26 4.470 1.793 3.999 1.00 0.00 S ATOM 0 H CYS A 26 5.258 5.222 6.485 1.00 0.00 H new ATOM 0 HA CYS A 26 4.452 2.473 6.858 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.867 3.949 4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.553 3.903 4.408 1.00 0.00 H new ATOM 0 HG CYS A 26 3.667 1.032 4.683 1.00 0.00 H new ATOM 369 N VAL A 27 6.750 1.640 7.464 1.00 0.00 N ATOM 370 CA VAL A 27 8.018 0.943 7.644 1.00 0.00 C ATOM 371 C VAL A 27 8.459 0.264 6.352 1.00 0.00 C ATOM 372 O VAL A 27 9.650 0.048 6.128 1.00 0.00 O ATOM 373 CB VAL A 27 7.923 -0.114 8.760 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.499 -1.459 8.188 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.250 -0.233 9.495 1.00 0.00 C ATOM 0 H VAL A 27 6.051 1.435 8.178 1.00 0.00 H new ATOM 0 HA VAL A 27 8.756 1.694 7.927 1.00 0.00 H new ATOM 0 HB VAL A 27 7.165 0.205 9.475 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.437 -2.193 8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.524 -1.360 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.232 -1.788 7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.165 -0.984 10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.030 -0.529 8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.507 0.729 9.939 1.00 0.00 H new ATOM 385 N VAL A 28 7.491 -0.070 5.505 1.00 0.00 N ATOM 386 CA VAL A 28 7.780 -0.723 4.233 1.00 0.00 C ATOM 387 C VAL A 28 8.645 0.164 3.344 1.00 0.00 C ATOM 388 O VAL A 28 9.805 -0.150 3.076 1.00 0.00 O ATOM 389 CB VAL A 28 6.485 -1.080 3.479 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.805 -1.831 2.196 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.560 -1.897 4.368 1.00 0.00 C ATOM 0 H VAL A 28 6.500 0.101 5.676 1.00 0.00 H new ATOM 0 HA VAL A 28 8.322 -1.640 4.464 1.00 0.00 H new ATOM 0 HB VAL A 28 5.973 -0.156 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.878 -2.075 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.427 -1.207 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.339 -2.750 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.650 -2.141 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.061 -2.818 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.305 -1.319 5.256 1.00 0.00 H new ATOM 401 N CYS A 29 8.073 1.273 2.889 1.00 0.00 N ATOM 402 CA CYS A 29 8.790 2.207 2.029 1.00 0.00 C ATOM 403 C CYS A 29 9.343 3.376 2.838 1.00 0.00 C ATOM 404 O CYS A 29 9.635 4.439 2.291 1.00 0.00 O ATOM 405 CB CYS A 29 7.868 2.727 0.924 1.00 0.00 C ATOM 406 SG CYS A 29 6.419 3.646 1.537 1.00 0.00 S ATOM 0 H CYS A 29 7.114 1.547 3.102 1.00 0.00 H new ATOM 0 HA CYS A 29 9.626 1.675 1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.442 3.375 0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.524 1.883 0.326 1.00 0.00 H new ATOM 0 HG CYS A 29 5.792 2.928 2.421 1.00 0.00 H new ATOM 411 N MET A 30 9.485 3.171 4.144 1.00 0.00 N ATOM 412 CA MET A 30 10.004 4.207 5.028 1.00 0.00 C ATOM 413 C MET A 30 9.562 5.591 4.562 1.00 0.00 C ATOM 414 O MET A 30 10.389 6.478 4.347 1.00 0.00 O ATOM 415 CB MET A 30 11.532 4.140 5.086 1.00 0.00 C ATOM 416 CG MET A 30 12.060 2.859 5.711 1.00 0.00 C ATOM 417 SD MET A 30 12.485 3.060 7.452 1.00 0.00 S ATOM 418 CE MET A 30 11.015 2.403 8.237 1.00 0.00 C ATOM 0 H MET A 30 9.248 2.297 4.613 1.00 0.00 H new ATOM 0 HA MET A 30 9.602 4.033 6.026 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.930 4.233 4.076 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.904 4.992 5.655 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.309 2.075 5.612 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.941 2.528 5.162 1.00 0.00 H new ATOM 0 HE1 MET A 30 11.180 2.326 9.312 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.172 3.067 8.046 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.797 1.415 7.832 1.00 0.00 H new ATOM 428 N CYS A 31 8.255 5.769 4.409 1.00 0.00 N ATOM 429 CA CYS A 31 7.703 7.045 3.968 1.00 0.00 C ATOM 430 C CYS A 31 6.534 7.467 4.852 1.00 0.00 C ATOM 431 O CYS A 31 5.776 6.627 5.339 1.00 0.00 O ATOM 432 CB CYS A 31 7.248 6.951 2.511 1.00 0.00 C ATOM 433 SG CYS A 31 8.605 6.848 1.319 1.00 0.00 S ATOM 0 H CYS A 31 7.557 5.046 4.584 1.00 0.00 H new ATOM 0 HA CYS A 31 8.486 7.799 4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.611 6.074 2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.637 7.822 2.275 1.00 0.00 H new ATOM 0 HG CYS A 31 9.219 5.711 1.458 1.00 0.00 H new ATOM 439 N ASP A 32 6.394 8.772 5.056 1.00 0.00 N ATOM 440 CA ASP A 32 5.318 9.306 5.882 1.00 0.00 C ATOM 441 C ASP A 32 4.010 9.366 5.098 1.00 0.00 C ATOM 442 O ASP A 32 3.841 10.209 4.217 1.00 0.00 O ATOM 443 CB ASP A 32 5.684 10.699 6.397 1.00 0.00 C ATOM 444 CG ASP A 32 6.779 10.660 7.444 1.00 0.00 C ATOM 445 OD1 ASP A 32 7.960 10.523 7.062 1.00 0.00 O ATOM 446 OD2 ASP A 32 6.456 10.765 8.646 1.00 0.00 O ATOM 0 H ASP A 32 7.013 9.480 4.660 1.00 0.00 H new ATOM 0 HA ASP A 32 5.180 8.638 6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.007 11.319 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.797 11.171 6.820 1.00 0.00 H new ATOM 451 N PHE A 33 3.088 8.467 5.425 1.00 0.00 N ATOM 452 CA PHE A 33 1.796 8.417 4.750 1.00 0.00 C ATOM 453 C PHE A 33 1.340 9.815 4.344 1.00 0.00 C ATOM 454 O PHE A 33 1.507 10.776 5.095 1.00 0.00 O ATOM 455 CB PHE A 33 0.748 7.769 5.658 1.00 0.00 C ATOM 456 CG PHE A 33 1.236 6.526 6.344 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.446 5.359 5.626 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.483 6.523 7.708 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.895 4.213 6.255 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.932 5.380 8.341 1.00 0.00 C ATOM 461 CZ PHE A 33 2.137 4.223 7.615 1.00 0.00 C ATOM 0 H PHE A 33 3.211 7.763 6.153 1.00 0.00 H new ATOM 0 HA PHE A 33 1.908 7.815 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.435 8.492 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.134 7.525 5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.257 5.345 4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.323 7.424 8.282 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.056 3.311 5.684 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.123 5.391 9.404 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.486 3.328 8.109 1.00 0.00 H new ATOM 471 N GLU A 34 0.764 9.920 3.151 1.00 0.00 N ATOM 472 CA GLU A 34 0.285 11.201 2.645 1.00 0.00 C ATOM 473 C GLU A 34 -1.224 11.329 2.829 1.00 0.00 C ATOM 474 O GLU A 34 -1.951 10.336 2.796 1.00 0.00 O ATOM 475 CB GLU A 34 0.645 11.357 1.166 1.00 0.00 C ATOM 476 CG GLU A 34 2.058 11.863 0.933 1.00 0.00 C ATOM 477 CD GLU A 34 2.424 13.015 1.849 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.666 14.007 1.884 1.00 0.00 O ATOM 479 OE2 GLU A 34 3.467 12.925 2.529 1.00 0.00 O ATOM 0 H GLU A 34 0.618 9.134 2.517 1.00 0.00 H new ATOM 0 HA GLU A 34 0.771 11.993 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.526 10.394 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.060 12.046 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.762 11.045 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.159 12.182 -0.104 1.00 0.00 H new ATOM 486 N SER A 35 -1.689 12.559 3.024 1.00 0.00 N ATOM 487 CA SER A 35 -3.111 12.817 3.217 1.00 0.00 C ATOM 488 C SER A 35 -3.929 12.246 2.063 1.00 0.00 C ATOM 489 O SER A 35 -3.393 11.948 0.996 1.00 0.00 O ATOM 490 CB SER A 35 -3.365 14.321 3.343 1.00 0.00 C ATOM 491 OG SER A 35 -2.847 15.020 2.225 1.00 0.00 O ATOM 0 H SER A 35 -1.102 13.392 3.052 1.00 0.00 H new ATOM 0 HA SER A 35 -3.423 12.324 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.436 14.506 3.428 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.903 14.696 4.256 1.00 0.00 H new ATOM 0 HG SER A 35 -3.023 15.978 2.328 1.00 0.00 H new ATOM 497 N ARG A 36 -5.231 12.096 2.287 1.00 0.00 N ATOM 498 CA ARG A 36 -6.124 11.559 1.267 1.00 0.00 C ATOM 499 C ARG A 36 -5.527 10.311 0.624 1.00 0.00 C ATOM 500 O ARG A 36 -5.407 10.228 -0.598 1.00 0.00 O ATOM 501 CB ARG A 36 -6.401 12.615 0.195 1.00 0.00 C ATOM 502 CG ARG A 36 -5.151 13.103 -0.517 1.00 0.00 C ATOM 503 CD ARG A 36 -5.496 13.966 -1.721 1.00 0.00 C ATOM 504 NE ARG A 36 -4.346 14.734 -2.191 1.00 0.00 N ATOM 505 CZ ARG A 36 -4.450 15.865 -2.881 1.00 0.00 C ATOM 506 NH1 ARG A 36 -5.645 16.356 -3.178 1.00 0.00 N ATOM 507 NH2 ARG A 36 -3.358 16.506 -3.275 1.00 0.00 N ATOM 0 H ARG A 36 -5.690 12.339 3.165 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.062 11.285 1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.090 12.201 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.902 13.466 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.535 13.675 0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.557 12.248 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.863 13.332 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.305 14.648 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.412 14.383 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.487 15.866 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.722 17.224 -3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.437 16.131 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.439 17.374 -3.805 1.00 0.00 H new ATOM 521 N GLN A 37 -5.155 9.343 1.456 1.00 0.00 N ATOM 522 CA GLN A 37 -4.570 8.100 0.968 1.00 0.00 C ATOM 523 C GLN A 37 -5.028 6.915 1.811 1.00 0.00 C ATOM 524 O GLN A 37 -4.993 6.964 3.041 1.00 0.00 O ATOM 525 CB GLN A 37 -3.043 8.191 0.982 1.00 0.00 C ATOM 526 CG GLN A 37 -2.486 9.224 0.016 1.00 0.00 C ATOM 527 CD GLN A 37 -2.234 8.656 -1.367 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.141 8.119 -2.004 1.00 0.00 O ATOM 529 NE2 GLN A 37 -0.998 8.770 -1.838 1.00 0.00 N ATOM 0 H GLN A 37 -5.248 9.396 2.470 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.909 7.946 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.711 8.434 1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.627 7.214 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.184 10.058 -0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.554 9.624 0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.278 9.223 -1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.769 8.405 -2.762 1.00 0.00 H new ATOM 538 N LEU A 38 -5.458 5.851 1.142 1.00 0.00 N ATOM 539 CA LEU A 38 -5.925 4.652 1.829 1.00 0.00 C ATOM 540 C LEU A 38 -4.774 3.952 2.546 1.00 0.00 C ATOM 541 O LEU A 38 -3.749 3.638 1.938 1.00 0.00 O ATOM 542 CB LEU A 38 -6.580 3.691 0.835 1.00 0.00 C ATOM 543 CG LEU A 38 -7.570 2.687 1.425 1.00 0.00 C ATOM 544 CD1 LEU A 38 -8.865 3.382 1.816 1.00 0.00 C ATOM 545 CD2 LEU A 38 -7.844 1.564 0.435 1.00 0.00 C ATOM 0 H LEU A 38 -5.493 5.794 0.124 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.663 4.954 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.098 4.280 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.793 3.137 0.324 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.128 2.254 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.558 2.652 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.655 4.151 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.311 3.842 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.551 0.858 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.265 1.980 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.912 1.048 0.203 1.00 0.00 H new ATOM 557 N LEU A 39 -4.950 3.710 3.840 1.00 0.00 N ATOM 558 CA LEU A 39 -3.927 3.045 4.640 1.00 0.00 C ATOM 559 C LEU A 39 -4.507 1.840 5.373 1.00 0.00 C ATOM 560 O LEU A 39 -5.686 1.824 5.727 1.00 0.00 O ATOM 561 CB LEU A 39 -3.321 4.025 5.646 1.00 0.00 C ATOM 562 CG LEU A 39 -2.966 5.410 5.103 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.689 6.376 6.244 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.767 5.326 4.170 1.00 0.00 C ATOM 0 H LEU A 39 -5.791 3.964 4.358 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.145 2.695 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.023 4.149 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.418 3.577 6.061 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.817 5.785 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.438 7.356 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.575 6.460 6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.855 6.006 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.529 6.321 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.910 4.929 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.002 4.668 3.334 1.00 0.00 H new ATOM 576 N ARG A 40 -3.670 0.833 5.600 1.00 0.00 N ATOM 577 CA ARG A 40 -4.099 -0.376 6.293 1.00 0.00 C ATOM 578 C ARG A 40 -3.408 -0.501 7.648 1.00 0.00 C ATOM 579 O ARG A 40 -2.180 -0.532 7.730 1.00 0.00 O ATOM 580 CB ARG A 40 -3.801 -1.611 5.440 1.00 0.00 C ATOM 581 CG ARG A 40 -4.734 -1.771 4.252 1.00 0.00 C ATOM 582 CD ARG A 40 -6.038 -2.442 4.653 1.00 0.00 C ATOM 583 NE ARG A 40 -6.986 -2.504 3.544 1.00 0.00 N ATOM 584 CZ ARG A 40 -6.957 -3.442 2.604 1.00 0.00 C ATOM 585 NH1 ARG A 40 -6.033 -4.392 2.639 1.00 0.00 N ATOM 586 NH2 ARG A 40 -7.854 -3.431 1.626 1.00 0.00 N ATOM 0 H ARG A 40 -2.691 0.830 5.314 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.174 -0.308 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.774 -1.554 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.869 -2.500 6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.945 -0.793 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.242 -2.362 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.831 -3.451 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.486 -1.896 5.483 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.710 -1.788 3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.342 -4.404 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.013 -5.111 1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.567 -2.702 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.831 -4.152 0.905 1.00 0.00 H new ATOM 600 N VAL A 41 -4.206 -0.573 8.708 1.00 0.00 N ATOM 601 CA VAL A 41 -3.672 -0.695 10.060 1.00 0.00 C ATOM 602 C VAL A 41 -3.586 -2.156 10.486 1.00 0.00 C ATOM 603 O VAL A 41 -4.603 -2.839 10.613 1.00 0.00 O ATOM 604 CB VAL A 41 -4.536 0.075 11.076 1.00 0.00 C ATOM 605 CG1 VAL A 41 -4.014 -0.136 12.489 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.575 1.555 10.729 1.00 0.00 C ATOM 0 H VAL A 41 -5.224 -0.549 8.657 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.671 -0.264 10.046 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.554 -0.313 11.028 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.637 0.416 13.193 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.044 -1.198 12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.987 0.223 12.555 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.190 2.083 11.457 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.563 1.960 10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.000 1.684 9.734 1.00 0.00 H new ATOM 616 N LEU A 42 -2.365 -2.630 10.707 1.00 0.00 N ATOM 617 CA LEU A 42 -2.144 -4.012 11.121 1.00 0.00 C ATOM 618 C LEU A 42 -2.801 -4.288 12.470 1.00 0.00 C ATOM 619 O LEU A 42 -3.069 -3.379 13.255 1.00 0.00 O ATOM 620 CB LEU A 42 -0.645 -4.308 11.201 1.00 0.00 C ATOM 621 CG LEU A 42 0.064 -4.544 9.868 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.535 -4.861 10.095 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.612 -5.667 9.096 1.00 0.00 C ATOM 0 H LEU A 42 -1.513 -2.078 10.607 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.598 -4.665 10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.157 -3.475 11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.502 -5.189 11.827 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.003 -3.631 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.024 -5.026 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.013 -4.025 10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.624 -5.759 10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.094 -5.821 8.150 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.576 -6.585 9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.651 -5.401 8.902 1.00 0.00 H new ATOM 635 N PRO A 43 -3.067 -5.573 12.746 1.00 0.00 N ATOM 636 CA PRO A 43 -3.694 -6.000 14.001 1.00 0.00 C ATOM 637 C PRO A 43 -2.765 -5.831 15.199 1.00 0.00 C ATOM 638 O PRO A 43 -3.084 -6.259 16.309 1.00 0.00 O ATOM 639 CB PRO A 43 -3.995 -7.481 13.762 1.00 0.00 C ATOM 640 CG PRO A 43 -3.003 -7.908 12.735 1.00 0.00 C ATOM 641 CD PRO A 43 -2.775 -6.710 11.856 1.00 0.00 C ATOM 0 HA PRO A 43 -4.576 -5.406 14.239 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.889 -8.060 14.680 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.016 -7.626 13.410 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.073 -8.232 13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.379 -8.751 12.156 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.752 -6.675 11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.432 -6.719 10.986 1.00 0.00 H new ATOM 649 N CYS A 44 -1.616 -5.206 14.968 1.00 0.00 N ATOM 650 CA CYS A 44 -0.641 -4.980 16.028 1.00 0.00 C ATOM 651 C CYS A 44 -0.534 -3.495 16.363 1.00 0.00 C ATOM 652 O CYS A 44 0.372 -3.074 17.080 1.00 0.00 O ATOM 653 CB CYS A 44 0.729 -5.520 15.612 1.00 0.00 C ATOM 654 SG CYS A 44 1.147 -5.220 13.865 1.00 0.00 S ATOM 0 H CYS A 44 -1.337 -4.847 14.055 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.980 -5.511 16.918 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.494 -5.064 16.241 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.758 -6.593 15.802 1.00 0.00 H new ATOM 0 HG CYS A 44 2.437 -5.268 13.713 1.00 0.00 H new ATOM 659 N ASN A 45 -1.468 -2.708 15.838 1.00 0.00 N ATOM 660 CA ASN A 45 -1.479 -1.270 16.081 1.00 0.00 C ATOM 661 C ASN A 45 -0.380 -0.575 15.283 1.00 0.00 C ATOM 662 O ASN A 45 0.430 0.168 15.839 1.00 0.00 O ATOM 663 CB ASN A 45 -1.302 -0.982 17.573 1.00 0.00 C ATOM 664 CG ASN A 45 -1.952 0.323 17.991 1.00 0.00 C ATOM 665 OD1 ASN A 45 -1.294 1.212 18.532 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.251 0.444 17.742 1.00 0.00 N ATOM 0 H ASN A 45 -2.226 -3.041 15.242 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.443 -0.879 15.755 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.731 -1.800 18.152 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.239 -0.947 17.810 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.742 1.299 18.001 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.757 -0.318 17.292 1.00 0.00 H new ATOM 673 N HIS A 46 -0.358 -0.821 13.977 1.00 0.00 N ATOM 674 CA HIS A 46 0.642 -0.218 13.102 1.00 0.00 C ATOM 675 C HIS A 46 0.014 0.224 11.784 1.00 0.00 C ATOM 676 O HIS A 46 -0.806 -0.489 11.207 1.00 0.00 O ATOM 677 CB HIS A 46 1.777 -1.206 12.834 1.00 0.00 C ATOM 678 CG HIS A 46 2.750 -1.323 13.967 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.321 -2.519 14.347 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.253 -0.384 14.802 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.132 -2.311 15.369 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.109 -1.024 15.665 1.00 0.00 N ATOM 0 H HIS A 46 -1.021 -1.433 13.501 1.00 0.00 H new ATOM 0 HA HIS A 46 1.047 0.661 13.604 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.352 -2.188 12.629 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.313 -0.897 11.937 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.145 -3.423 13.908 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.024 0.671 14.792 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.715 -3.065 15.876 1.00 0.00 H new ATOM 690 N GLU A 47 0.404 1.405 11.315 1.00 0.00 N ATOM 691 CA GLU A 47 -0.123 1.942 10.066 1.00 0.00 C ATOM 692 C GLU A 47 0.752 1.532 8.885 1.00 0.00 C ATOM 693 O GLU A 47 1.971 1.411 9.014 1.00 0.00 O ATOM 694 CB GLU A 47 -0.216 3.468 10.140 1.00 0.00 C ATOM 695 CG GLU A 47 -0.931 3.975 11.381 1.00 0.00 C ATOM 696 CD GLU A 47 -0.242 3.551 12.664 1.00 0.00 C ATOM 697 OE1 GLU A 47 0.897 4.002 12.902 1.00 0.00 O ATOM 698 OE2 GLU A 47 -0.843 2.768 13.429 1.00 0.00 O ATOM 0 H GLU A 47 1.082 2.008 11.781 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.121 1.531 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.790 3.886 10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.737 3.835 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.987 5.063 11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.956 3.603 11.383 1.00 0.00 H new ATOM 705 N PHE A 48 0.122 1.317 7.735 1.00 0.00 N ATOM 706 CA PHE A 48 0.841 0.918 6.531 1.00 0.00 C ATOM 707 C PHE A 48 0.116 1.402 5.279 1.00 0.00 C ATOM 708 O PHE A 48 -0.997 1.922 5.354 1.00 0.00 O ATOM 709 CB PHE A 48 1.001 -0.603 6.487 1.00 0.00 C ATOM 710 CG PHE A 48 1.817 -1.153 7.621 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.200 -1.182 7.546 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.202 -1.642 8.762 1.00 0.00 C ATOM 713 CE1 PHE A 48 3.955 -1.688 8.588 1.00 0.00 C ATOM 714 CE2 PHE A 48 1.951 -2.148 9.808 1.00 0.00 C ATOM 715 CZ PHE A 48 3.329 -2.172 9.720 1.00 0.00 C ATOM 0 H PHE A 48 -0.886 1.413 7.612 1.00 0.00 H new ATOM 0 HA PHE A 48 1.828 1.379 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.014 -1.065 6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.469 -0.884 5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.694 -0.805 6.663 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.125 -1.628 8.835 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.033 -1.705 8.517 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.459 -2.524 10.693 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.916 -2.569 10.535 1.00 0.00 H new ATOM 725 N HIS A 49 0.756 1.226 4.127 1.00 0.00 N ATOM 726 CA HIS A 49 0.173 1.644 2.857 1.00 0.00 C ATOM 727 C HIS A 49 -0.651 0.517 2.241 1.00 0.00 C ATOM 728 O HIS A 49 -0.117 -0.534 1.888 1.00 0.00 O ATOM 729 CB HIS A 49 1.271 2.079 1.886 1.00 0.00 C ATOM 730 CG HIS A 49 1.621 3.531 1.989 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.901 4.011 1.812 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.848 4.612 2.251 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.902 5.324 1.962 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.668 5.713 2.229 1.00 0.00 N ATOM 0 H HIS A 49 1.678 0.797 4.047 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.487 2.490 3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.165 1.484 2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.950 1.863 0.867 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.720 3.441 1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.215 4.609 2.442 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.764 5.969 1.880 1.00 0.00 H new ATOM 742 N ALA A 50 -1.955 0.744 2.116 1.00 0.00 N ATOM 743 CA ALA A 50 -2.852 -0.251 1.541 1.00 0.00 C ATOM 744 C ALA A 50 -2.177 -1.004 0.400 1.00 0.00 C ATOM 745 O ALA A 50 -2.489 -2.166 0.138 1.00 0.00 O ATOM 746 CB ALA A 50 -4.133 0.411 1.055 1.00 0.00 C ATOM 0 H ALA A 50 -2.413 1.608 2.405 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.102 -0.972 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.793 -0.344 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.632 0.897 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.893 1.154 0.295 1.00 0.00 H new ATOM 752 N LYS A 51 -1.251 -0.335 -0.279 1.00 0.00 N ATOM 753 CA LYS A 51 -0.531 -0.940 -1.393 1.00 0.00 C ATOM 754 C LYS A 51 0.688 -1.713 -0.898 1.00 0.00 C ATOM 755 O LYS A 51 0.898 -2.866 -1.273 1.00 0.00 O ATOM 756 CB LYS A 51 -0.095 0.136 -2.390 1.00 0.00 C ATOM 757 CG LYS A 51 0.762 1.227 -1.772 1.00 0.00 C ATOM 758 CD LYS A 51 1.133 2.289 -2.793 1.00 0.00 C ATOM 759 CE LYS A 51 0.106 3.410 -2.829 1.00 0.00 C ATOM 760 NZ LYS A 51 -0.969 3.146 -3.826 1.00 0.00 N ATOM 0 H LYS A 51 -0.981 0.628 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.204 -1.638 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.461 -0.335 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.982 0.589 -2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.224 1.689 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.669 0.787 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.113 2.700 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.212 1.834 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.337 3.529 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.603 4.350 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.968 3.898 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.799 2.228 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.891 3.128 -3.346 1.00 0.00 H new ATOM 774 N CYS A 52 1.486 -1.070 -0.052 1.00 0.00 N ATOM 775 CA CYS A 52 2.684 -1.696 0.495 1.00 0.00 C ATOM 776 C CYS A 52 2.328 -2.955 1.281 1.00 0.00 C ATOM 777 O CYS A 52 2.593 -4.072 0.839 1.00 0.00 O ATOM 778 CB CYS A 52 3.432 -0.713 1.397 1.00 0.00 C ATOM 779 SG CYS A 52 4.083 0.748 0.525 1.00 0.00 S ATOM 0 H CYS A 52 1.325 -0.116 0.270 1.00 0.00 H new ATOM 0 HA CYS A 52 3.329 -1.978 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.761 -0.381 2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.260 -1.235 1.878 1.00 0.00 H new ATOM 0 HG CYS A 52 4.511 1.616 1.393 1.00 0.00 H new ATOM 784 N VAL A 53 1.724 -2.765 2.451 1.00 0.00 N ATOM 785 CA VAL A 53 1.331 -3.884 3.299 1.00 0.00 C ATOM 786 C VAL A 53 0.856 -5.067 2.462 1.00 0.00 C ATOM 787 O VAL A 53 1.132 -6.221 2.787 1.00 0.00 O ATOM 788 CB VAL A 53 0.212 -3.480 4.278 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.135 -3.461 3.571 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.184 -4.421 5.472 1.00 0.00 C ATOM 0 H VAL A 53 1.497 -1.847 2.832 1.00 0.00 H new ATOM 0 HA VAL A 53 2.214 -4.176 3.868 1.00 0.00 H new ATOM 0 HB VAL A 53 0.418 -2.474 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.913 -3.174 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.106 -2.743 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.353 -4.453 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.612 -4.121 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.003 -5.439 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.141 -4.378 5.992 1.00 0.00 H new ATOM 800 N ASP A 54 0.140 -4.771 1.383 1.00 0.00 N ATOM 801 CA ASP A 54 -0.373 -5.810 0.497 1.00 0.00 C ATOM 802 C ASP A 54 0.769 -6.622 -0.106 1.00 0.00 C ATOM 803 O ASP A 54 0.746 -7.853 -0.091 1.00 0.00 O ATOM 804 CB ASP A 54 -1.218 -5.190 -0.617 1.00 0.00 C ATOM 805 CG ASP A 54 -1.968 -6.232 -1.422 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.184 -7.344 -0.899 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.340 -5.934 -2.577 1.00 0.00 O ATOM 0 H ASP A 54 -0.098 -3.820 1.101 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.999 -6.479 1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.930 -4.489 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.573 -4.616 -1.282 1.00 0.00 H new ATOM 812 N LYS A 55 1.767 -5.925 -0.638 1.00 0.00 N ATOM 813 CA LYS A 55 2.919 -6.579 -1.247 1.00 0.00 C ATOM 814 C LYS A 55 3.734 -7.331 -0.200 1.00 0.00 C ATOM 815 O LYS A 55 4.167 -8.460 -0.430 1.00 0.00 O ATOM 816 CB LYS A 55 3.803 -5.549 -1.954 1.00 0.00 C ATOM 817 CG LYS A 55 4.854 -6.167 -2.859 1.00 0.00 C ATOM 818 CD LYS A 55 5.737 -5.106 -3.495 1.00 0.00 C ATOM 819 CE LYS A 55 6.961 -4.816 -2.641 1.00 0.00 C ATOM 820 NZ LYS A 55 8.004 -5.869 -2.790 1.00 0.00 N ATOM 0 H LYS A 55 1.801 -4.906 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 55 2.551 -7.297 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.172 -4.886 -2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.299 -4.933 -1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.471 -6.857 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.366 -6.751 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.052 -5.438 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.164 -4.190 -3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.379 -3.849 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.665 -4.744 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.822 -5.635 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.614 -6.788 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.306 -5.921 -3.784 1.00 0.00 H new ATOM 834 N TRP A 56 3.939 -6.698 0.950 1.00 0.00 N ATOM 835 CA TRP A 56 4.701 -7.309 2.033 1.00 0.00 C ATOM 836 C TRP A 56 4.029 -8.589 2.518 1.00 0.00 C ATOM 837 O TRP A 56 4.619 -9.669 2.469 1.00 0.00 O ATOM 838 CB TRP A 56 4.853 -6.326 3.195 1.00 0.00 C ATOM 839 CG TRP A 56 5.581 -6.903 4.370 1.00 0.00 C ATOM 840 CD1 TRP A 56 5.030 -7.550 5.439 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.995 -6.885 4.596 1.00 0.00 C ATOM 842 NE1 TRP A 56 6.016 -7.934 6.316 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.230 -7.539 5.821 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.085 -6.381 3.881 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.510 -7.700 6.345 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.355 -6.542 4.403 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.559 -7.197 5.624 1.00 0.00 C ATOM 0 H TRP A 56 3.588 -5.763 1.156 1.00 0.00 H new ATOM 0 HA TRP A 56 5.689 -7.563 1.650 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.385 -5.441 2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.864 -5.997 3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.974 -7.733 5.575 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.868 -8.432 7.193 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.938 -5.875 2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.669 -8.204 7.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.205 -6.156 3.860 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.564 -7.307 6.004 1.00 0.00 H new ATOM 858 N LEU A 57 2.792 -8.461 2.984 1.00 0.00 N ATOM 859 CA LEU A 57 2.038 -9.609 3.478 1.00 0.00 C ATOM 860 C LEU A 57 2.171 -10.796 2.530 1.00 0.00 C ATOM 861 O LEU A 57 2.199 -11.949 2.962 1.00 0.00 O ATOM 862 CB LEU A 57 0.563 -9.241 3.649 1.00 0.00 C ATOM 863 CG LEU A 57 0.239 -8.285 4.797 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.213 -7.838 4.726 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.531 -8.943 6.138 1.00 0.00 C ATOM 0 H LEU A 57 2.289 -7.575 3.030 1.00 0.00 H new ATOM 0 HA LEU A 57 2.449 -9.893 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.211 -8.794 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.005 -10.159 3.796 1.00 0.00 H new ATOM 0 HG LEU A 57 0.874 -7.404 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.425 -7.158 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.390 -7.327 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.865 -8.708 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.294 -8.248 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.078 -9.841 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.586 -9.212 6.189 1.00 0.00 H new ATOM 877 N LYS A 58 2.255 -10.507 1.236 1.00 0.00 N ATOM 878 CA LYS A 58 2.389 -11.550 0.226 1.00 0.00 C ATOM 879 C LYS A 58 3.694 -12.318 0.406 1.00 0.00 C ATOM 880 O LYS A 58 3.732 -13.539 0.258 1.00 0.00 O ATOM 881 CB LYS A 58 2.333 -10.940 -1.177 1.00 0.00 C ATOM 882 CG LYS A 58 0.938 -10.917 -1.776 1.00 0.00 C ATOM 883 CD LYS A 58 0.983 -10.831 -3.292 1.00 0.00 C ATOM 884 CE LYS A 58 1.005 -12.212 -3.929 1.00 0.00 C ATOM 885 NZ LYS A 58 2.393 -12.724 -4.096 1.00 0.00 N ATOM 0 H LYS A 58 2.233 -9.558 0.862 1.00 0.00 H new ATOM 0 HA LYS A 58 1.559 -12.246 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.719 -9.921 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.993 -11.505 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.398 -11.816 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.385 -10.066 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.116 -10.277 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.868 -10.273 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.434 -12.906 -3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.514 -12.171 -4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.410 -13.441 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.024 -11.938 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.715 -13.151 -3.204 1.00 0.00 H new ATOM 899 N ALA A 59 4.761 -11.594 0.728 1.00 0.00 N ATOM 900 CA ALA A 59 6.067 -12.209 0.932 1.00 0.00 C ATOM 901 C ALA A 59 6.192 -12.778 2.342 1.00 0.00 C ATOM 902 O ALA A 59 6.627 -13.914 2.526 1.00 0.00 O ATOM 903 CB ALA A 59 7.173 -11.197 0.670 1.00 0.00 C ATOM 0 H ALA A 59 4.747 -10.582 0.853 1.00 0.00 H new ATOM 0 HA ALA A 59 6.168 -13.033 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.143 -11.669 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.104 -10.841 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.065 -10.355 1.354 1.00 0.00 H new ATOM 909 N ASN A 60 5.808 -11.980 3.333 1.00 0.00 N ATOM 910 CA ASN A 60 5.879 -12.405 4.727 1.00 0.00 C ATOM 911 C ASN A 60 4.549 -12.166 5.436 1.00 0.00 C ATOM 912 O ASN A 60 4.007 -11.061 5.404 1.00 0.00 O ATOM 913 CB ASN A 60 6.999 -11.658 5.453 1.00 0.00 C ATOM 914 CG ASN A 60 8.292 -11.644 4.662 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.598 -12.588 3.934 1.00 0.00 O ATOM 916 ND2 ASN A 60 9.060 -10.569 4.802 1.00 0.00 N ATOM 0 H ASN A 60 5.445 -11.037 3.197 1.00 0.00 H new ATOM 0 HA ASN A 60 6.094 -13.474 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.683 -10.633 5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.174 -12.125 6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.943 -10.503 4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.767 -9.809 5.417 1.00 0.00 H new ATOM 923 N ARG A 61 4.030 -13.208 6.076 1.00 0.00 N ATOM 924 CA ARG A 61 2.764 -13.112 6.793 1.00 0.00 C ATOM 925 C ARG A 61 2.971 -12.519 8.183 1.00 0.00 C ATOM 926 O ARG A 61 2.298 -12.903 9.141 1.00 0.00 O ATOM 927 CB ARG A 61 2.112 -14.491 6.906 1.00 0.00 C ATOM 928 CG ARG A 61 2.004 -15.225 5.580 1.00 0.00 C ATOM 929 CD ARG A 61 0.693 -14.914 4.876 1.00 0.00 C ATOM 930 NE ARG A 61 0.643 -15.486 3.533 1.00 0.00 N ATOM 931 CZ ARG A 61 0.526 -16.787 3.293 1.00 0.00 C ATOM 932 NH1 ARG A 61 0.448 -17.646 4.300 1.00 0.00 N ATOM 933 NH2 ARG A 61 0.488 -17.232 2.044 1.00 0.00 N ATOM 0 H ARG A 61 4.467 -14.129 6.113 1.00 0.00 H new ATOM 0 HA ARG A 61 2.105 -12.452 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.688 -15.100 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.115 -14.378 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.839 -14.943 4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.081 -16.299 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.137 -15.303 5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.562 -13.834 4.815 1.00 0.00 H new ATOM 0 HE ARG A 61 0.701 -14.852 2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.478 -17.308 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.358 -18.645 4.113 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.549 -16.575 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.398 -18.231 1.861 1.00 0.00 H new ATOM 947 N THR A 62 3.906 -11.580 8.288 1.00 0.00 N ATOM 948 CA THR A 62 4.203 -10.935 9.561 1.00 0.00 C ATOM 949 C THR A 62 4.312 -9.424 9.399 1.00 0.00 C ATOM 950 O THR A 62 4.254 -8.902 8.285 1.00 0.00 O ATOM 951 CB THR A 62 5.512 -11.471 10.171 1.00 0.00 C ATOM 952 OG1 THR A 62 6.599 -11.254 9.264 1.00 0.00 O ATOM 953 CG2 THR A 62 5.396 -12.955 10.484 1.00 0.00 C ATOM 0 H THR A 62 4.471 -11.249 7.506 1.00 0.00 H new ATOM 0 HA THR A 62 3.377 -11.167 10.233 1.00 0.00 H new ATOM 0 HB THR A 62 5.701 -10.934 11.100 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.428 -11.596 9.659 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.333 -13.311 10.914 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.586 -13.114 11.196 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.186 -13.505 9.567 1.00 0.00 H new ATOM 961 N CYS A 63 4.471 -8.724 10.517 1.00 0.00 N ATOM 962 CA CYS A 63 4.589 -7.271 10.500 1.00 0.00 C ATOM 963 C CYS A 63 6.047 -6.845 10.346 1.00 0.00 C ATOM 964 O CYS A 63 6.923 -7.253 11.109 1.00 0.00 O ATOM 965 CB CYS A 63 4.006 -6.675 11.783 1.00 0.00 C ATOM 966 SG CYS A 63 4.218 -4.872 11.929 1.00 0.00 S ATOM 0 H CYS A 63 4.521 -9.140 11.447 1.00 0.00 H new ATOM 0 HA CYS A 63 4.026 -6.897 9.645 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.943 -6.910 11.829 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.476 -7.156 12.641 1.00 0.00 H new ATOM 0 HG CYS A 63 4.789 -4.414 10.855 1.00 0.00 H new ATOM 971 N PRO A 64 6.314 -6.004 9.335 1.00 0.00 N ATOM 972 CA PRO A 64 7.663 -5.504 9.057 1.00 0.00 C ATOM 973 C PRO A 64 8.152 -4.531 10.125 1.00 0.00 C ATOM 974 O PRO A 64 9.189 -3.887 9.963 1.00 0.00 O ATOM 975 CB PRO A 64 7.506 -4.788 7.714 1.00 0.00 C ATOM 976 CG PRO A 64 6.070 -4.397 7.658 1.00 0.00 C ATOM 977 CD PRO A 64 5.319 -5.477 8.387 1.00 0.00 C ATOM 0 HA PRO A 64 8.400 -6.307 9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.156 -3.915 7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.771 -5.442 6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.911 -3.426 8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.728 -4.312 6.626 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.444 -5.080 8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.965 -6.250 7.705 1.00 0.00 H new ATOM 985 N ILE A 65 7.400 -4.431 11.216 1.00 0.00 N ATOM 986 CA ILE A 65 7.759 -3.538 12.311 1.00 0.00 C ATOM 987 C ILE A 65 8.012 -4.318 13.596 1.00 0.00 C ATOM 988 O ILE A 65 9.091 -4.235 14.184 1.00 0.00 O ATOM 989 CB ILE A 65 6.659 -2.491 12.567 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.384 -1.686 11.295 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.062 -1.568 13.708 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.458 -0.510 11.513 1.00 0.00 C ATOM 0 H ILE A 65 6.539 -4.957 11.365 1.00 0.00 H new ATOM 0 HA ILE A 65 8.674 -3.026 12.014 1.00 0.00 H new ATOM 0 HB ILE A 65 5.743 -3.010 12.851 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.330 -1.324 10.892 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.950 -2.346 10.544 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.275 -0.833 13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.212 -2.154 14.615 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.988 -1.054 13.451 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.308 0.015 10.569 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.498 -0.867 11.887 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.900 0.171 12.240 1.00 0.00 H new ATOM 1004 N CYS A 66 7.011 -5.078 14.028 1.00 0.00 N ATOM 1005 CA CYS A 66 7.124 -5.875 15.243 1.00 0.00 C ATOM 1006 C CYS A 66 7.076 -7.366 14.921 1.00 0.00 C ATOM 1007 O CYS A 66 6.771 -8.188 15.786 1.00 0.00 O ATOM 1008 CB CYS A 66 6.002 -5.516 16.219 1.00 0.00 C ATOM 1009 SG CYS A 66 4.328 -5.860 15.588 1.00 0.00 S ATOM 0 H CYS A 66 6.112 -5.158 13.554 1.00 0.00 H new ATOM 0 HA CYS A 66 8.085 -5.652 15.707 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.150 -6.070 17.146 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.075 -4.457 16.466 1.00 0.00 H new ATOM 0 HG CYS A 66 4.285 -5.608 14.313 1.00 0.00 H new ATOM 1014 N ARG A 67 7.380 -7.707 13.673 1.00 0.00 N ATOM 1015 CA ARG A 67 7.370 -9.098 13.237 1.00 0.00 C ATOM 1016 C ARG A 67 6.212 -9.860 13.874 1.00 0.00 C ATOM 1017 O ARG A 67 6.275 -11.077 14.045 1.00 0.00 O ATOM 1018 CB ARG A 67 8.696 -9.775 13.592 1.00 0.00 C ATOM 1019 CG ARG A 67 9.777 -9.584 12.541 1.00 0.00 C ATOM 1020 CD ARG A 67 10.561 -8.302 12.774 1.00 0.00 C ATOM 1021 NE ARG A 67 11.492 -8.023 11.684 1.00 0.00 N ATOM 1022 CZ ARG A 67 12.078 -6.846 11.501 1.00 0.00 C ATOM 1023 NH1 ARG A 67 11.832 -5.843 12.333 1.00 0.00 N ATOM 1024 NH2 ARG A 67 12.914 -6.669 10.485 1.00 0.00 N ATOM 0 H ARG A 67 7.636 -7.039 12.946 1.00 0.00 H new ATOM 0 HA ARG A 67 7.240 -9.112 12.155 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.052 -9.381 14.544 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.523 -10.842 13.734 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.457 -10.436 12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.323 -9.559 11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.868 -7.468 12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.113 -8.380 13.711 1.00 0.00 H new ATOM 0 HE ARG A 67 11.704 -8.774 11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.191 -5.975 13.116 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.284 -4.940 12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.107 -7.438 9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.363 -5.764 10.346 1.00 0.00 H new ATOM 1038 N ALA A 68 5.155 -9.134 14.224 1.00 0.00 N ATOM 1039 CA ALA A 68 3.982 -9.742 14.840 1.00 0.00 C ATOM 1040 C ALA A 68 3.099 -10.415 13.795 1.00 0.00 C ATOM 1041 O ALA A 68 2.762 -9.816 12.774 1.00 0.00 O ATOM 1042 CB ALA A 68 3.188 -8.695 15.609 1.00 0.00 C ATOM 0 H ALA A 68 5.087 -8.125 14.092 1.00 0.00 H new ATOM 0 HA ALA A 68 4.324 -10.508 15.536 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.315 -9.162 16.064 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.815 -8.262 16.388 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.865 -7.910 14.926 1.00 0.00 H new ATOM 1048 N ASP A 69 2.729 -11.664 14.057 1.00 0.00 N ATOM 1049 CA ASP A 69 1.884 -12.420 13.139 1.00 0.00 C ATOM 1050 C ASP A 69 0.618 -11.640 12.798 1.00 0.00 C ATOM 1051 O ASP A 69 -0.147 -11.261 13.685 1.00 0.00 O ATOM 1052 CB ASP A 69 1.516 -13.773 13.747 1.00 0.00 C ATOM 1053 CG ASP A 69 0.307 -14.398 13.080 1.00 0.00 C ATOM 1054 OD1 ASP A 69 0.304 -14.506 11.836 1.00 0.00 O ATOM 1055 OD2 ASP A 69 -0.637 -14.780 13.803 1.00 0.00 O ATOM 0 H ASP A 69 3.001 -12.174 14.897 1.00 0.00 H new ATOM 0 HA ASP A 69 2.446 -12.585 12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.366 -14.450 13.660 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.316 -13.647 14.811 1.00 0.00 H new ATOM 1060 N SER A 70 0.405 -11.402 11.508 1.00 0.00 N ATOM 1061 CA SER A 70 -0.766 -10.663 11.050 1.00 0.00 C ATOM 1062 C SER A 70 -1.974 -11.586 10.917 1.00 0.00 C ATOM 1063 O SER A 70 -2.698 -11.540 9.924 1.00 0.00 O ATOM 1064 CB SER A 70 -0.477 -9.987 9.709 1.00 0.00 C ATOM 1065 OG SER A 70 0.706 -9.208 9.775 1.00 0.00 O ATOM 0 H SER A 70 1.028 -11.710 10.761 1.00 0.00 H new ATOM 0 HA SER A 70 -0.995 -9.898 11.792 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.375 -10.744 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.318 -9.353 9.429 1.00 0.00 H new ATOM 0 HG SER A 70 0.706 -8.551 9.048 1.00 0.00 H new