USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 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 95:sc= -0.47 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.176 K(o=-4.8,f=-6.2) USER MOD Set 1.3: A 63 CYS SG : rot 150:sc= -3.64! USER MOD Set 1.4: A 66 CYS SG : rot -37:sc= -0.854 USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= -0.698 USER MOD Set 2.2: A 29 CYS SG : rot -61:sc= -0.875 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -1.62 X(o=-4.6,f=-4.5) USER MOD Set 2.4: A 52 CYS SG : rot -167:sc= -1.4 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 15:sc= 1.07 USER MOD Single : A 30 MET CE :methyl -127:sc= -3.36! (180deg=-4.24!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.181 K(o=0.18,f=-1.2) USER MOD Single : A 45 ASN : amide:sc= -0.806 K(o=-0.81,f=-1.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -78:sc= 0.322 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.957 3.424 6.080 1.00 0.00 N ATOM 128 CA TYR A 12 -10.149 4.822 6.447 1.00 0.00 C ATOM 129 C TYR A 12 -9.081 5.704 5.808 1.00 0.00 C ATOM 130 O TYR A 12 -7.993 5.237 5.473 1.00 0.00 O ATOM 131 CB TYR A 12 -10.115 4.981 7.968 1.00 0.00 C ATOM 132 CG TYR A 12 -8.717 5.090 8.534 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.850 4.005 8.510 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.263 6.279 9.092 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.572 4.100 9.027 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.987 6.384 9.610 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.145 5.291 9.575 1.00 0.00 C ATOM 138 OH TYR A 12 -4.873 5.390 10.090 1.00 0.00 O ATOM 0 HA TYR A 12 -11.124 5.138 6.077 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.680 5.871 8.245 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.618 4.129 8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.180 3.071 8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.920 7.136 9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.911 3.246 9.002 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.650 7.316 10.040 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.730 6.295 10.436 1.00 0.00 H new ATOM 148 N ARG A 13 -9.402 6.984 5.643 1.00 0.00 N ATOM 149 CA ARG A 13 -8.471 7.933 5.044 1.00 0.00 C ATOM 150 C ARG A 13 -7.775 8.764 6.118 1.00 0.00 C ATOM 151 O ARG A 13 -8.428 9.410 6.937 1.00 0.00 O ATOM 152 CB ARG A 13 -9.207 8.854 4.068 1.00 0.00 C ATOM 153 CG ARG A 13 -9.564 8.185 2.751 1.00 0.00 C ATOM 154 CD ARG A 13 -10.777 8.836 2.106 1.00 0.00 C ATOM 155 NE ARG A 13 -10.427 10.064 1.397 1.00 0.00 N ATOM 156 CZ ARG A 13 -11.144 10.566 0.398 1.00 0.00 C ATOM 157 NH1 ARG A 13 -12.244 9.948 -0.009 1.00 0.00 N ATOM 158 NH2 ARG A 13 -10.760 11.688 -0.198 1.00 0.00 N ATOM 0 H ARG A 13 -10.299 7.387 5.915 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.714 7.368 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.120 9.216 4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.585 9.726 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.714 8.242 2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.765 7.127 2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.238 8.135 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.519 9.059 2.872 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.586 10.564 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.542 9.085 0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.793 10.336 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.913 12.166 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.311 12.073 -0.965 1.00 0.00 H new ATOM 172 N PHE A 14 -6.447 8.741 6.107 1.00 0.00 N ATOM 173 CA PHE A 14 -5.662 9.491 7.081 1.00 0.00 C ATOM 174 C PHE A 14 -6.060 10.964 7.082 1.00 0.00 C ATOM 175 O PHE A 14 -6.106 11.606 6.033 1.00 0.00 O ATOM 176 CB PHE A 14 -4.168 9.355 6.777 1.00 0.00 C ATOM 177 CG PHE A 14 -3.314 10.348 7.512 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.244 11.666 7.091 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.581 9.964 8.623 1.00 0.00 C ATOM 180 CE1 PHE A 14 -2.459 12.583 7.765 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.795 10.876 9.302 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.733 12.187 8.872 1.00 0.00 C ATOM 0 H PHE A 14 -5.892 8.212 5.435 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.864 9.077 8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.843 8.347 7.035 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.011 9.476 5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.809 11.981 6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.624 8.940 8.963 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.413 13.608 7.427 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.230 10.564 10.168 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.118 12.901 9.400 1.00 0.00 H new ATOM 326 N THR A 24 3.476 7.941 12.828 1.00 0.00 N ATOM 327 CA THR A 24 2.823 7.311 11.688 1.00 0.00 C ATOM 328 C THR A 24 3.743 7.284 10.473 1.00 0.00 C ATOM 329 O THR A 24 3.903 8.289 9.779 1.00 0.00 O ATOM 330 CB THR A 24 1.519 8.042 11.313 1.00 0.00 C ATOM 331 OG1 THR A 24 1.819 9.340 10.787 1.00 0.00 O ATOM 332 CG2 THR A 24 0.608 8.178 12.524 1.00 0.00 C ATOM 0 HA THR A 24 2.587 6.289 11.985 1.00 0.00 H new ATOM 0 HB THR A 24 1.003 7.453 10.554 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.769 9.386 10.553 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.306 8.697 12.235 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.358 7.188 12.904 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.118 8.747 13.301 1.00 0.00 H new ATOM 340 N LEU A 25 4.347 6.128 10.220 1.00 0.00 N ATOM 341 CA LEU A 25 5.252 5.969 9.087 1.00 0.00 C ATOM 342 C LEU A 25 5.099 4.588 8.457 1.00 0.00 C ATOM 343 O LEU A 25 4.660 3.641 9.111 1.00 0.00 O ATOM 344 CB LEU A 25 6.700 6.181 9.532 1.00 0.00 C ATOM 345 CG LEU A 25 7.775 5.883 8.487 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.985 6.779 8.694 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.179 4.417 8.541 1.00 0.00 C ATOM 0 H LEU A 25 4.226 5.287 10.784 1.00 0.00 H new ATOM 0 HA LEU A 25 4.994 6.720 8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.812 7.216 9.854 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.886 5.554 10.404 1.00 0.00 H new ATOM 0 HG LEU A 25 7.361 6.090 7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.739 6.552 7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.685 7.823 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.400 6.606 9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.945 4.223 7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.573 4.184 9.530 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.309 3.792 8.341 1.00 0.00 H new ATOM 359 N CYS A 26 5.466 4.480 7.185 1.00 0.00 N ATOM 360 CA CYS A 26 5.372 3.215 6.466 1.00 0.00 C ATOM 361 C CYS A 26 6.710 2.481 6.480 1.00 0.00 C ATOM 362 O CYS A 26 7.535 2.655 5.583 1.00 0.00 O ATOM 363 CB CYS A 26 4.925 3.457 5.023 1.00 0.00 C ATOM 364 SG CYS A 26 4.637 1.932 4.069 1.00 0.00 S ATOM 0 H CYS A 26 5.832 5.254 6.630 1.00 0.00 H new ATOM 0 HA CYS A 26 4.631 2.593 6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.008 4.046 5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.682 4.054 4.514 1.00 0.00 H new ATOM 0 HG CYS A 26 3.708 1.228 4.646 1.00 0.00 H new ATOM 369 N VAL A 27 6.918 1.660 7.504 1.00 0.00 N ATOM 370 CA VAL A 27 8.154 0.897 7.635 1.00 0.00 C ATOM 371 C VAL A 27 8.526 0.224 6.319 1.00 0.00 C ATOM 372 O VAL A 27 9.705 0.067 6.000 1.00 0.00 O ATOM 373 CB VAL A 27 8.038 -0.176 8.733 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.536 -1.487 8.148 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.376 -0.371 9.430 1.00 0.00 C ATOM 0 H VAL A 27 6.246 1.506 8.256 1.00 0.00 H new ATOM 0 HA VAL A 27 8.935 1.605 7.911 1.00 0.00 H new ATOM 0 HB VAL A 27 7.314 0.164 9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.461 -2.233 8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.555 -1.333 7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.233 -1.836 7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.276 -1.133 10.203 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.123 -0.689 8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.690 0.569 9.885 1.00 0.00 H new ATOM 385 N VAL A 28 7.512 -0.173 5.556 1.00 0.00 N ATOM 386 CA VAL A 28 7.732 -0.829 4.273 1.00 0.00 C ATOM 387 C VAL A 28 8.586 0.036 3.353 1.00 0.00 C ATOM 388 O VAL A 28 9.722 -0.314 3.032 1.00 0.00 O ATOM 389 CB VAL A 28 6.399 -1.146 3.569 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.647 -1.881 2.260 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.495 -1.960 4.483 1.00 0.00 C ATOM 0 H VAL A 28 6.530 -0.052 5.805 1.00 0.00 H new ATOM 0 HA VAL A 28 8.256 -1.762 4.480 1.00 0.00 H new ATOM 0 HB VAL A 28 5.897 -0.206 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.694 -2.096 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.254 -1.259 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.171 -2.815 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.558 -2.175 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.989 -2.896 4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.290 -1.393 5.391 1.00 0.00 H new ATOM 401 N CYS A 29 8.032 1.168 2.931 1.00 0.00 N ATOM 402 CA CYS A 29 8.742 2.085 2.048 1.00 0.00 C ATOM 403 C CYS A 29 9.326 3.255 2.834 1.00 0.00 C ATOM 404 O CYS A 29 9.570 4.327 2.281 1.00 0.00 O ATOM 405 CB CYS A 29 7.803 2.606 0.958 1.00 0.00 C ATOM 406 SG CYS A 29 6.546 3.780 1.559 1.00 0.00 S ATOM 0 H CYS A 29 7.093 1.472 3.187 1.00 0.00 H new ATOM 0 HA CYS A 29 9.562 1.539 1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.397 3.091 0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.300 1.759 0.491 1.00 0.00 H new ATOM 0 HG CYS A 29 5.798 3.197 2.448 1.00 0.00 H new ATOM 411 N MET A 30 9.548 3.040 4.126 1.00 0.00 N ATOM 412 CA MET A 30 10.105 4.076 4.988 1.00 0.00 C ATOM 413 C MET A 30 9.589 5.454 4.586 1.00 0.00 C ATOM 414 O MET A 30 10.366 6.397 4.433 1.00 0.00 O ATOM 415 CB MET A 30 11.634 4.053 4.927 1.00 0.00 C ATOM 416 CG MET A 30 12.245 2.775 5.477 1.00 0.00 C ATOM 417 SD MET A 30 12.697 2.913 7.217 1.00 0.00 S ATOM 418 CE MET A 30 11.232 2.244 8.001 1.00 0.00 C ATOM 0 H MET A 30 9.351 2.158 4.599 1.00 0.00 H new ATOM 0 HA MET A 30 9.786 3.873 6.010 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.950 4.181 3.892 1.00 0.00 H new ATOM 0 HB3 MET A 30 12.025 4.903 5.487 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.536 1.956 5.354 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.131 2.521 4.895 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.860 2.952 8.742 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.464 2.070 7.248 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.479 1.302 8.491 1.00 0.00 H new ATOM 428 N CYS A 31 8.276 5.562 4.415 1.00 0.00 N ATOM 429 CA CYS A 31 7.657 6.825 4.029 1.00 0.00 C ATOM 430 C CYS A 31 6.373 7.064 4.817 1.00 0.00 C ATOM 431 O CYS A 31 5.647 6.123 5.141 1.00 0.00 O ATOM 432 CB CYS A 31 7.358 6.833 2.529 1.00 0.00 C ATOM 433 SG CYS A 31 7.109 8.483 1.835 1.00 0.00 S ATOM 0 H CYS A 31 7.620 4.791 4.537 1.00 0.00 H new ATOM 0 HA CYS A 31 8.357 7.629 4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.181 6.350 2.003 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.466 6.234 2.344 1.00 0.00 H new ATOM 0 HG CYS A 31 6.865 8.386 0.562 1.00 0.00 H new ATOM 439 N ASP A 32 6.099 8.327 5.122 1.00 0.00 N ATOM 440 CA ASP A 32 4.903 8.690 5.873 1.00 0.00 C ATOM 441 C ASP A 32 3.658 8.580 4.998 1.00 0.00 C ATOM 442 O ASP A 32 3.753 8.482 3.774 1.00 0.00 O ATOM 443 CB ASP A 32 5.031 10.112 6.422 1.00 0.00 C ATOM 444 CG ASP A 32 5.424 11.112 5.353 1.00 0.00 C ATOM 445 OD1 ASP A 32 6.600 11.100 4.932 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.555 11.907 4.937 1.00 0.00 O ATOM 0 H ASP A 32 6.689 9.117 4.861 1.00 0.00 H new ATOM 0 HA ASP A 32 4.803 7.995 6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.082 10.414 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.775 10.125 7.219 1.00 0.00 H new ATOM 451 N PHE A 33 2.491 8.596 5.633 1.00 0.00 N ATOM 452 CA PHE A 33 1.227 8.496 4.913 1.00 0.00 C ATOM 453 C PHE A 33 0.654 9.881 4.624 1.00 0.00 C ATOM 454 O PHE A 33 0.501 10.701 5.529 1.00 0.00 O ATOM 455 CB PHE A 33 0.220 7.674 5.719 1.00 0.00 C ATOM 456 CG PHE A 33 0.839 6.518 6.451 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.289 5.404 5.760 1.00 0.00 C ATOM 458 CD2 PHE A 33 0.972 6.544 7.830 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.860 4.338 6.430 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.542 5.482 8.505 1.00 0.00 C ATOM 461 CZ PHE A 33 1.986 4.377 7.805 1.00 0.00 C ATOM 0 H PHE A 33 2.394 8.677 6.645 1.00 0.00 H new ATOM 0 HA PHE A 33 1.418 7.995 3.964 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.276 8.326 6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.550 7.297 5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.192 5.368 4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.626 7.404 8.383 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.207 3.476 5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.640 5.516 9.580 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.431 3.545 8.332 1.00 0.00 H new ATOM 471 N GLU A 34 0.341 10.133 3.357 1.00 0.00 N ATOM 472 CA GLU A 34 -0.213 11.419 2.949 1.00 0.00 C ATOM 473 C GLU A 34 -1.704 11.494 3.266 1.00 0.00 C ATOM 474 O GLU A 34 -2.308 10.512 3.699 1.00 0.00 O ATOM 475 CB GLU A 34 0.014 11.645 1.453 1.00 0.00 C ATOM 476 CG GLU A 34 1.461 11.933 1.094 1.00 0.00 C ATOM 477 CD GLU A 34 1.724 11.834 -0.396 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.013 11.060 -1.073 1.00 0.00 O ATOM 479 OE2 GLU A 34 2.639 12.528 -0.886 1.00 0.00 O ATOM 0 H GLU A 34 0.461 9.465 2.596 1.00 0.00 H new ATOM 0 HA GLU A 34 0.299 12.201 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.318 10.763 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.606 12.478 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.725 12.932 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.108 11.232 1.621 1.00 0.00 H new ATOM 486 N SER A 35 -2.292 12.666 3.047 1.00 0.00 N ATOM 487 CA SER A 35 -3.711 12.871 3.312 1.00 0.00 C ATOM 488 C SER A 35 -4.560 12.352 2.157 1.00 0.00 C ATOM 489 O SER A 35 -4.136 12.373 1.001 1.00 0.00 O ATOM 490 CB SER A 35 -3.998 14.356 3.545 1.00 0.00 C ATOM 491 OG SER A 35 -3.657 15.126 2.405 1.00 0.00 O ATOM 0 H SER A 35 -1.807 13.488 2.687 1.00 0.00 H new ATOM 0 HA SER A 35 -3.972 12.312 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.054 14.493 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.433 14.708 4.408 1.00 0.00 H new ATOM 0 HG SER A 35 -3.851 16.071 2.578 1.00 0.00 H new ATOM 497 N ARG A 36 -5.764 11.887 2.477 1.00 0.00 N ATOM 498 CA ARG A 36 -6.674 11.361 1.467 1.00 0.00 C ATOM 499 C ARG A 36 -6.056 10.165 0.749 1.00 0.00 C ATOM 500 O ARG A 36 -6.046 10.105 -0.480 1.00 0.00 O ATOM 501 CB ARG A 36 -7.029 12.450 0.453 1.00 0.00 C ATOM 502 CG ARG A 36 -8.040 13.459 0.972 1.00 0.00 C ATOM 503 CD ARG A 36 -7.390 14.477 1.895 1.00 0.00 C ATOM 504 NE ARG A 36 -7.464 14.070 3.296 1.00 0.00 N ATOM 505 CZ ARG A 36 -8.503 14.330 4.083 1.00 0.00 C ATOM 506 NH1 ARG A 36 -9.549 14.990 3.608 1.00 0.00 N ATOM 507 NH2 ARG A 36 -8.496 13.927 5.347 1.00 0.00 N ATOM 0 H ARG A 36 -6.131 11.864 3.428 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.583 11.032 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.119 12.976 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.426 11.981 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.506 13.974 0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.834 12.938 1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.346 14.610 1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.880 15.443 1.772 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.675 13.558 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.558 15.300 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.345 15.188 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.693 13.417 5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.294 14.127 5.950 1.00 0.00 H new ATOM 521 N GLN A 37 -5.542 9.216 1.525 1.00 0.00 N ATOM 522 CA GLN A 37 -4.922 8.022 0.963 1.00 0.00 C ATOM 523 C GLN A 37 -5.351 6.774 1.727 1.00 0.00 C ATOM 524 O GLN A 37 -5.437 6.785 2.955 1.00 0.00 O ATOM 525 CB GLN A 37 -3.398 8.153 0.990 1.00 0.00 C ATOM 526 CG GLN A 37 -2.874 9.334 0.189 1.00 0.00 C ATOM 527 CD GLN A 37 -2.582 8.977 -1.255 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.439 8.442 -1.960 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.368 9.270 -1.704 1.00 0.00 N ATOM 0 H GLN A 37 -5.543 9.251 2.544 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.253 7.924 -0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.069 8.251 2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.956 7.236 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.606 10.141 0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.965 9.711 0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.689 9.713 -1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.114 9.052 -2.668 1.00 0.00 H new ATOM 538 N LEU A 38 -5.619 5.700 0.992 1.00 0.00 N ATOM 539 CA LEU A 38 -6.040 4.443 1.601 1.00 0.00 C ATOM 540 C LEU A 38 -4.885 3.787 2.349 1.00 0.00 C ATOM 541 O LEU A 38 -3.851 3.468 1.760 1.00 0.00 O ATOM 542 CB LEU A 38 -6.577 3.491 0.531 1.00 0.00 C ATOM 543 CG LEU A 38 -7.627 2.482 0.997 1.00 0.00 C ATOM 544 CD1 LEU A 38 -8.928 3.188 1.345 1.00 0.00 C ATOM 545 CD2 LEU A 38 -7.862 1.425 -0.073 1.00 0.00 C ATOM 0 H LEU A 38 -5.552 5.674 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.833 4.661 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.007 4.087 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.737 2.941 0.107 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.255 1.987 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.663 2.454 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.749 3.907 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.305 3.710 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.612 0.715 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.213 1.904 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.930 0.898 -0.275 1.00 0.00 H new ATOM 557 N LEU A 39 -5.067 3.586 3.650 1.00 0.00 N ATOM 558 CA LEU A 39 -4.040 2.965 4.479 1.00 0.00 C ATOM 559 C LEU A 39 -4.578 1.712 5.163 1.00 0.00 C ATOM 560 O LEU A 39 -5.788 1.497 5.226 1.00 0.00 O ATOM 561 CB LEU A 39 -3.537 3.956 5.530 1.00 0.00 C ATOM 562 CG LEU A 39 -3.128 5.335 5.009 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.857 6.284 6.167 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.906 5.225 4.110 1.00 0.00 C ATOM 0 H LEU A 39 -5.916 3.844 4.153 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.211 2.678 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.318 4.089 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.681 3.513 6.038 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.952 5.739 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.567 7.260 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.758 6.387 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.051 5.885 6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.630 6.216 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.076 4.800 4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.135 4.580 3.261 1.00 0.00 H new ATOM 576 N ARG A 40 -3.669 0.888 5.676 1.00 0.00 N ATOM 577 CA ARG A 40 -4.052 -0.343 6.357 1.00 0.00 C ATOM 578 C ARG A 40 -3.385 -0.438 7.726 1.00 0.00 C ATOM 579 O ARG A 40 -2.161 -0.363 7.838 1.00 0.00 O ATOM 580 CB ARG A 40 -3.674 -1.558 5.508 1.00 0.00 C ATOM 581 CG ARG A 40 -4.608 -1.794 4.332 1.00 0.00 C ATOM 582 CD ARG A 40 -5.807 -2.639 4.733 1.00 0.00 C ATOM 583 NE ARG A 40 -6.438 -3.276 3.580 1.00 0.00 N ATOM 584 CZ ARG A 40 -5.846 -4.206 2.840 1.00 0.00 C ATOM 585 NH1 ARG A 40 -4.616 -4.607 3.130 1.00 0.00 N ATOM 586 NH2 ARG A 40 -6.486 -4.739 1.806 1.00 0.00 N ATOM 0 H ARG A 40 -2.663 1.051 5.633 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.133 -0.329 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.659 -1.427 5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.669 -2.445 6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.951 -0.836 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.064 -2.290 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.490 -3.404 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.537 -2.012 5.245 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.385 -2.991 3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.121 -4.201 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.165 -5.322 2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.433 -4.434 1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.031 -5.453 1.238 1.00 0.00 H new ATOM 600 N VAL A 41 -4.197 -0.602 8.765 1.00 0.00 N ATOM 601 CA VAL A 41 -3.686 -0.707 10.126 1.00 0.00 C ATOM 602 C VAL A 41 -3.549 -2.165 10.551 1.00 0.00 C ATOM 603 O VAL A 41 -4.541 -2.887 10.659 1.00 0.00 O ATOM 604 CB VAL A 41 -4.601 0.024 11.127 1.00 0.00 C ATOM 605 CG1 VAL A 41 -4.042 -0.084 12.538 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.775 1.480 10.724 1.00 0.00 C ATOM 0 H VAL A 41 -5.212 -0.665 8.690 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.703 -0.236 10.132 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.581 -0.453 11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.701 0.438 13.231 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.974 -1.134 12.823 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.050 0.366 12.572 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.424 1.981 11.442 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.803 1.972 10.709 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.223 1.532 9.732 1.00 0.00 H new ATOM 616 N LEU A 42 -2.314 -2.592 10.791 1.00 0.00 N ATOM 617 CA LEU A 42 -2.046 -3.965 11.204 1.00 0.00 C ATOM 618 C LEU A 42 -2.700 -4.266 12.549 1.00 0.00 C ATOM 619 O LEU A 42 -3.012 -3.367 13.331 1.00 0.00 O ATOM 620 CB LEU A 42 -0.538 -4.206 11.292 1.00 0.00 C ATOM 621 CG LEU A 42 0.178 -4.469 9.967 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.581 -4.999 10.214 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.620 -5.443 9.113 1.00 0.00 C ATOM 0 H LEU A 42 -1.483 -2.007 10.707 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.472 -4.634 10.456 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.078 -3.338 11.764 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.364 -5.057 11.951 1.00 0.00 H new ATOM 0 HG LEU A 42 0.259 -3.526 9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.075 -5.180 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.152 -4.266 10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.524 -5.931 10.776 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.095 -5.618 8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.733 -6.387 9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.604 -5.023 8.906 1.00 0.00 H new ATOM 635 N PRO A 43 -2.912 -5.560 12.827 1.00 0.00 N ATOM 636 CA PRO A 43 -3.529 -6.010 14.079 1.00 0.00 C ATOM 637 C PRO A 43 -2.616 -5.800 15.283 1.00 0.00 C ATOM 638 O PRO A 43 -2.920 -6.245 16.390 1.00 0.00 O ATOM 639 CB PRO A 43 -3.764 -7.504 13.842 1.00 0.00 C ATOM 640 CG PRO A 43 -2.749 -7.890 12.823 1.00 0.00 C ATOM 641 CD PRO A 43 -2.566 -6.685 11.942 1.00 0.00 C ATOM 0 HA PRO A 43 -4.437 -5.453 14.309 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.639 -8.075 14.762 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.776 -7.694 13.484 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.809 -8.173 13.297 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.086 -8.750 12.243 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.543 -6.607 11.575 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.216 -6.724 11.068 1.00 0.00 H new ATOM 649 N CYS A 44 -1.498 -5.117 15.060 1.00 0.00 N ATOM 650 CA CYS A 44 -0.541 -4.847 16.126 1.00 0.00 C ATOM 651 C CYS A 44 -0.494 -3.357 16.450 1.00 0.00 C ATOM 652 O CYS A 44 0.402 -2.892 17.153 1.00 0.00 O ATOM 653 CB CYS A 44 0.852 -5.337 15.725 1.00 0.00 C ATOM 654 SG CYS A 44 1.314 -4.943 14.008 1.00 0.00 S ATOM 0 H CYS A 44 -1.233 -4.740 14.150 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.866 -5.385 17.017 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.588 -4.897 16.398 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.899 -6.417 15.864 1.00 0.00 H new ATOM 0 HG CYS A 44 1.987 -3.831 13.984 1.00 0.00 H new ATOM 659 N ASN A 45 -1.466 -2.613 15.931 1.00 0.00 N ATOM 660 CA ASN A 45 -1.536 -1.175 16.165 1.00 0.00 C ATOM 661 C ASN A 45 -0.463 -0.442 15.367 1.00 0.00 C ATOM 662 O ASN A 45 0.260 0.399 15.904 1.00 0.00 O ATOM 663 CB ASN A 45 -1.376 -0.871 17.656 1.00 0.00 C ATOM 664 CG ASN A 45 -2.203 -1.797 18.526 1.00 0.00 C ATOM 665 OD1 ASN A 45 -1.746 -2.871 18.920 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.428 -1.385 18.832 1.00 0.00 N ATOM 0 H ASN A 45 -2.216 -2.982 15.346 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.513 -0.825 15.833 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.325 -0.960 17.932 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.669 0.161 17.847 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.031 -1.966 19.415 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.766 -0.488 18.484 1.00 0.00 H new ATOM 673 N HIS A 46 -0.364 -0.765 14.081 1.00 0.00 N ATOM 674 CA HIS A 46 0.621 -0.136 13.208 1.00 0.00 C ATOM 675 C HIS A 46 -0.011 0.269 11.880 1.00 0.00 C ATOM 676 O HIS A 46 -0.792 -0.484 11.299 1.00 0.00 O ATOM 677 CB HIS A 46 1.794 -1.085 12.960 1.00 0.00 C ATOM 678 CG HIS A 46 2.773 -1.135 14.092 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.518 -2.255 14.393 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.129 -0.194 14.997 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.289 -2.001 15.436 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.073 -0.757 15.821 1.00 0.00 N ATOM 0 H HIS A 46 -0.954 -1.458 13.621 1.00 0.00 H new ATOM 0 HA HIS A 46 0.989 0.762 13.704 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.407 -2.088 12.780 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.315 -0.777 12.053 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.743 0.813 15.060 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.979 -2.694 15.895 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.532 -0.290 16.603 1.00 0.00 H new ATOM 690 N GLU A 47 0.332 1.462 11.406 1.00 0.00 N ATOM 691 CA GLU A 47 -0.203 1.967 10.147 1.00 0.00 C ATOM 692 C GLU A 47 0.720 1.617 8.984 1.00 0.00 C ATOM 693 O GLU A 47 1.941 1.567 9.139 1.00 0.00 O ATOM 694 CB GLU A 47 -0.398 3.482 10.220 1.00 0.00 C ATOM 695 CG GLU A 47 -1.182 3.937 11.440 1.00 0.00 C ATOM 696 CD GLU A 47 -0.996 5.413 11.736 1.00 0.00 C ATOM 697 OE1 GLU A 47 -0.766 6.185 10.781 1.00 0.00 O ATOM 698 OE2 GLU A 47 -1.080 5.795 12.922 1.00 0.00 O ATOM 0 H GLU A 47 0.978 2.097 11.875 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.169 1.492 9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.579 3.966 10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.915 3.817 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.241 3.732 11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.869 3.354 12.306 1.00 0.00 H new ATOM 705 N PHE A 48 0.129 1.376 7.818 1.00 0.00 N ATOM 706 CA PHE A 48 0.898 1.029 6.628 1.00 0.00 C ATOM 707 C PHE A 48 0.181 1.493 5.364 1.00 0.00 C ATOM 708 O PHE A 48 -0.928 2.024 5.424 1.00 0.00 O ATOM 709 CB PHE A 48 1.133 -0.482 6.570 1.00 0.00 C ATOM 710 CG PHE A 48 1.926 -1.010 7.730 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.311 -1.025 7.691 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.287 -1.493 8.861 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.044 -1.511 8.758 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.014 -1.979 9.931 1.00 0.00 C ATOM 715 CZ PHE A 48 3.394 -1.989 9.879 1.00 0.00 C ATOM 0 H PHE A 48 -0.880 1.415 7.672 1.00 0.00 H new ATOM 0 HA PHE A 48 1.861 1.537 6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.169 -0.990 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.653 -0.725 5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.824 -0.653 6.817 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.208 -1.490 8.907 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.123 -1.517 8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.503 -2.351 10.807 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.964 -2.370 10.714 1.00 0.00 H new ATOM 725 N HIS A 49 0.824 1.289 4.218 1.00 0.00 N ATOM 726 CA HIS A 49 0.249 1.687 2.938 1.00 0.00 C ATOM 727 C HIS A 49 -0.523 0.532 2.307 1.00 0.00 C ATOM 728 O HIS A 49 0.056 -0.494 1.952 1.00 0.00 O ATOM 729 CB HIS A 49 1.348 2.160 1.986 1.00 0.00 C ATOM 730 CG HIS A 49 1.654 3.622 2.105 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.925 4.137 1.970 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.844 4.679 2.345 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.885 5.449 2.124 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.633 5.803 2.353 1.00 0.00 N ATOM 0 H HIS A 49 1.743 0.851 4.150 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.444 2.509 3.119 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.256 1.590 2.181 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.048 1.942 0.961 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.765 3.591 1.781 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.224 4.645 2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.731 6.118 2.072 1.00 0.00 H new ATOM 742 N ALA A 50 -1.834 0.706 2.172 1.00 0.00 N ATOM 743 CA ALA A 50 -2.685 -0.321 1.584 1.00 0.00 C ATOM 744 C ALA A 50 -1.996 -0.994 0.402 1.00 0.00 C ATOM 745 O ALA A 50 -2.243 -2.164 0.109 1.00 0.00 O ATOM 746 CB ALA A 50 -4.014 0.280 1.151 1.00 0.00 C ATOM 0 H ALA A 50 -2.330 1.549 2.462 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.872 -1.081 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.640 -0.498 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.519 0.708 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.836 1.061 0.412 1.00 0.00 H new ATOM 752 N LYS A 51 -1.130 -0.248 -0.275 1.00 0.00 N ATOM 753 CA LYS A 51 -0.404 -0.771 -1.426 1.00 0.00 C ATOM 754 C LYS A 51 0.852 -1.517 -0.984 1.00 0.00 C ATOM 755 O LYS A 51 1.115 -2.632 -1.433 1.00 0.00 O ATOM 756 CB LYS A 51 -0.026 0.366 -2.378 1.00 0.00 C ATOM 757 CG LYS A 51 0.799 1.460 -1.721 1.00 0.00 C ATOM 758 CD LYS A 51 1.155 2.559 -2.708 1.00 0.00 C ATOM 759 CE LYS A 51 2.025 3.626 -2.064 1.00 0.00 C ATOM 760 NZ LYS A 51 2.681 4.495 -3.080 1.00 0.00 N ATOM 0 H LYS A 51 -0.914 0.722 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.057 -1.471 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.534 -0.045 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.936 0.805 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.242 1.886 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.712 1.030 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.678 2.128 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.242 3.015 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.416 4.240 -1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.787 3.150 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.265 5.209 -2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.283 3.914 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.954 4.970 -3.652 1.00 0.00 H new ATOM 774 N CYS A 52 1.623 -0.894 -0.099 1.00 0.00 N ATOM 775 CA CYS A 52 2.851 -1.498 0.405 1.00 0.00 C ATOM 776 C CYS A 52 2.548 -2.774 1.184 1.00 0.00 C ATOM 777 O CYS A 52 2.877 -3.876 0.744 1.00 0.00 O ATOM 778 CB CYS A 52 3.602 -0.508 1.298 1.00 0.00 C ATOM 779 SG CYS A 52 4.094 1.030 0.454 1.00 0.00 S ATOM 0 H CYS A 52 1.419 0.029 0.284 1.00 0.00 H new ATOM 0 HA CYS A 52 3.478 -1.754 -0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.973 -0.256 2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.494 -0.995 1.692 1.00 0.00 H new ATOM 0 HG CYS A 52 4.952 1.673 1.189 1.00 0.00 H new ATOM 784 N VAL A 53 1.920 -2.618 2.345 1.00 0.00 N ATOM 785 CA VAL A 53 1.572 -3.757 3.186 1.00 0.00 C ATOM 786 C VAL A 53 1.026 -4.910 2.350 1.00 0.00 C ATOM 787 O VAL A 53 1.329 -6.075 2.608 1.00 0.00 O ATOM 788 CB VAL A 53 0.528 -3.371 4.250 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.855 -3.260 3.627 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.530 -4.380 5.388 1.00 0.00 C ATOM 0 H VAL A 53 1.642 -1.713 2.725 1.00 0.00 H new ATOM 0 HA VAL A 53 2.488 -4.074 3.685 1.00 0.00 H new ATOM 0 HB VAL A 53 0.795 -2.396 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.579 -2.986 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.844 -2.496 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.135 -4.218 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.214 -4.092 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.289 -5.369 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.516 -4.403 5.852 1.00 0.00 H new ATOM 800 N ASP A 54 0.221 -4.577 1.347 1.00 0.00 N ATOM 801 CA ASP A 54 -0.366 -5.585 0.472 1.00 0.00 C ATOM 802 C ASP A 54 0.715 -6.470 -0.140 1.00 0.00 C ATOM 803 O ASP A 54 0.604 -7.696 -0.139 1.00 0.00 O ATOM 804 CB ASP A 54 -1.182 -4.916 -0.635 1.00 0.00 C ATOM 805 CG ASP A 54 -1.515 -5.870 -1.766 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.788 -7.054 -1.482 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.501 -5.431 -2.936 1.00 0.00 O ATOM 0 H ASP A 54 -0.040 -3.617 1.120 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.026 -6.212 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.106 -4.521 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.624 -4.068 -1.031 1.00 0.00 H new ATOM 812 N LYS A 55 1.761 -5.840 -0.664 1.00 0.00 N ATOM 813 CA LYS A 55 2.864 -6.568 -1.280 1.00 0.00 C ATOM 814 C LYS A 55 3.659 -7.340 -0.232 1.00 0.00 C ATOM 815 O LYS A 55 3.933 -8.529 -0.399 1.00 0.00 O ATOM 816 CB LYS A 55 3.787 -5.602 -2.026 1.00 0.00 C ATOM 817 CG LYS A 55 3.362 -5.341 -3.461 1.00 0.00 C ATOM 818 CD LYS A 55 4.490 -4.727 -4.273 1.00 0.00 C ATOM 819 CE LYS A 55 4.186 -4.761 -5.763 1.00 0.00 C ATOM 820 NZ LYS A 55 4.965 -3.735 -6.512 1.00 0.00 N ATOM 0 H LYS A 55 1.868 -4.826 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 55 2.444 -7.281 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.820 -4.655 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.800 -6.005 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.046 -6.276 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.500 -4.674 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.649 -3.696 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.417 -5.267 -4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.415 -5.751 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.120 -4.594 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.730 -3.791 -7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.728 -2.788 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.982 -3.909 -6.383 1.00 0.00 H new ATOM 834 N TRP A 56 4.025 -6.658 0.847 1.00 0.00 N ATOM 835 CA TRP A 56 4.787 -7.281 1.923 1.00 0.00 C ATOM 836 C TRP A 56 4.077 -8.526 2.443 1.00 0.00 C ATOM 837 O TRP A 56 4.624 -9.629 2.398 1.00 0.00 O ATOM 838 CB TRP A 56 5.002 -6.287 3.066 1.00 0.00 C ATOM 839 CG TRP A 56 5.640 -6.900 4.275 1.00 0.00 C ATOM 840 CD1 TRP A 56 5.002 -7.475 5.336 1.00 0.00 C ATOM 841 CD2 TRP A 56 7.043 -6.999 4.546 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.923 -7.924 6.252 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.182 -7.645 5.790 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.194 -6.606 3.859 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.426 -7.905 6.359 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.428 -6.864 4.425 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.537 -7.509 5.664 1.00 0.00 C ATOM 0 H TRP A 56 3.806 -5.674 1.000 1.00 0.00 H new ATOM 0 HA TRP A 56 5.756 -7.579 1.523 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.626 -5.466 2.712 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.041 -5.857 3.350 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.931 -7.564 5.440 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.704 -8.389 7.133 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.121 -6.109 2.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.511 -8.401 7.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.324 -6.563 3.903 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.516 -7.697 6.079 1.00 0.00 H new ATOM 858 N LEU A 57 2.857 -8.344 2.936 1.00 0.00 N ATOM 859 CA LEU A 57 2.072 -9.454 3.465 1.00 0.00 C ATOM 860 C LEU A 57 2.182 -10.677 2.561 1.00 0.00 C ATOM 861 O LEU A 57 2.291 -11.807 3.038 1.00 0.00 O ATOM 862 CB LEU A 57 0.605 -9.043 3.610 1.00 0.00 C ATOM 863 CG LEU A 57 0.295 -8.046 4.728 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.133 -7.537 4.608 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.524 -8.684 6.090 1.00 0.00 C ATOM 0 H LEU A 57 2.390 -7.438 2.981 1.00 0.00 H new ATOM 0 HA LEU A 57 2.469 -9.713 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.274 -8.613 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.011 -9.942 3.777 1.00 0.00 H new ATOM 0 HG LEU A 57 0.971 -7.196 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.336 -6.829 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.263 -7.041 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.825 -8.376 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.299 -7.960 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.127 -9.552 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.564 -8.998 6.174 1.00 0.00 H new ATOM 877 N LYS A 58 2.154 -10.445 1.253 1.00 0.00 N ATOM 878 CA LYS A 58 2.254 -11.527 0.281 1.00 0.00 C ATOM 879 C LYS A 58 3.525 -12.341 0.502 1.00 0.00 C ATOM 880 O LYS A 58 3.495 -13.571 0.490 1.00 0.00 O ATOM 881 CB LYS A 58 2.237 -10.965 -1.142 1.00 0.00 C ATOM 882 CG LYS A 58 1.656 -11.923 -2.168 1.00 0.00 C ATOM 883 CD LYS A 58 2.027 -11.516 -3.584 1.00 0.00 C ATOM 884 CE LYS A 58 1.277 -12.344 -4.616 1.00 0.00 C ATOM 885 NZ LYS A 58 1.822 -13.727 -4.720 1.00 0.00 N ATOM 0 H LYS A 58 2.063 -9.516 0.841 1.00 0.00 H new ATOM 0 HA LYS A 58 1.395 -12.184 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.659 -10.041 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.255 -10.707 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.019 -12.932 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.571 -11.950 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.803 -10.459 -3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.100 -11.637 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.221 -12.389 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.339 -11.855 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.284 -14.259 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.823 -13.686 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.740 -14.203 -3.799 1.00 0.00 H new ATOM 899 N ALA A 59 4.639 -11.647 0.705 1.00 0.00 N ATOM 900 CA ALA A 59 5.920 -12.306 0.932 1.00 0.00 C ATOM 901 C ALA A 59 5.994 -12.890 2.339 1.00 0.00 C ATOM 902 O ALA A 59 6.395 -14.038 2.523 1.00 0.00 O ATOM 903 CB ALA A 59 7.064 -11.329 0.703 1.00 0.00 C ATOM 0 H ALA A 59 4.681 -10.628 0.717 1.00 0.00 H new ATOM 0 HA ALA A 59 6.010 -13.127 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.014 -11.834 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.029 -10.962 -0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.969 -10.490 1.392 1.00 0.00 H new ATOM 909 N ASN A 60 5.606 -12.091 3.328 1.00 0.00 N ATOM 910 CA ASN A 60 5.631 -12.530 4.719 1.00 0.00 C ATOM 911 C ASN A 60 4.339 -12.144 5.433 1.00 0.00 C ATOM 912 O ASN A 60 3.945 -10.978 5.438 1.00 0.00 O ATOM 913 CB ASN A 60 6.831 -11.920 5.446 1.00 0.00 C ATOM 914 CG ASN A 60 8.139 -12.582 5.059 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.495 -13.634 5.590 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.862 -11.966 4.131 1.00 0.00 N ATOM 0 H ASN A 60 5.271 -11.137 3.192 1.00 0.00 H new ATOM 0 HA ASN A 60 5.722 -13.616 4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.886 -10.855 5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.685 -12.011 6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.752 -12.363 3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.527 -11.095 3.718 1.00 0.00 H new ATOM 923 N ARG A 61 3.685 -13.132 6.036 1.00 0.00 N ATOM 924 CA ARG A 61 2.438 -12.897 6.753 1.00 0.00 C ATOM 925 C ARG A 61 2.709 -12.337 8.146 1.00 0.00 C ATOM 926 O ARG A 61 2.109 -12.771 9.130 1.00 0.00 O ATOM 927 CB ARG A 61 1.635 -14.195 6.861 1.00 0.00 C ATOM 928 CG ARG A 61 2.322 -15.270 7.687 1.00 0.00 C ATOM 929 CD ARG A 61 1.469 -16.524 7.789 1.00 0.00 C ATOM 930 NE ARG A 61 2.121 -17.567 8.577 1.00 0.00 N ATOM 931 CZ ARG A 61 3.028 -18.402 8.084 1.00 0.00 C ATOM 932 NH1 ARG A 61 3.389 -18.318 6.811 1.00 0.00 N ATOM 933 NH2 ARG A 61 3.576 -19.325 8.865 1.00 0.00 N ATOM 0 H ARG A 61 3.998 -14.103 6.042 1.00 0.00 H new ATOM 0 HA ARG A 61 1.858 -12.164 6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.663 -13.975 7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.450 -14.582 5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.283 -15.518 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.528 -14.886 8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.510 -16.274 8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.260 -16.903 6.788 1.00 0.00 H new ATOM 0 HE ARG A 61 1.865 -17.659 9.560 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.970 -17.611 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.086 -18.961 6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.300 -19.393 9.845 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.273 -19.966 8.485 1.00 0.00 H new ATOM 947 N THR A 62 3.617 -11.369 8.223 1.00 0.00 N ATOM 948 CA THR A 62 3.970 -10.751 9.494 1.00 0.00 C ATOM 949 C THR A 62 4.190 -9.251 9.334 1.00 0.00 C ATOM 950 O THR A 62 4.333 -8.750 8.218 1.00 0.00 O ATOM 951 CB THR A 62 5.239 -11.383 10.094 1.00 0.00 C ATOM 952 OG1 THR A 62 6.357 -11.152 9.230 1.00 0.00 O ATOM 953 CG2 THR A 62 5.053 -12.879 10.301 1.00 0.00 C ATOM 0 H THR A 62 4.121 -10.996 7.419 1.00 0.00 H new ATOM 0 HA THR A 62 3.133 -10.923 10.171 1.00 0.00 H new ATOM 0 HB THR A 62 5.426 -10.919 11.062 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.160 -11.556 9.620 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.963 -13.303 10.726 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.220 -13.051 10.982 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.843 -13.355 9.343 1.00 0.00 H new ATOM 961 N CYS A 63 4.217 -8.538 10.455 1.00 0.00 N ATOM 962 CA CYS A 63 4.421 -7.094 10.439 1.00 0.00 C ATOM 963 C CYS A 63 5.894 -6.755 10.229 1.00 0.00 C ATOM 964 O CYS A 63 6.774 -7.223 10.952 1.00 0.00 O ATOM 965 CB CYS A 63 3.925 -6.474 11.747 1.00 0.00 C ATOM 966 SG CYS A 63 4.262 -4.691 11.899 1.00 0.00 S ATOM 0 H CYS A 63 4.100 -8.937 11.387 1.00 0.00 H new ATOM 0 HA CYS A 63 3.849 -6.680 9.608 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.851 -6.638 11.830 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.392 -6.994 12.583 1.00 0.00 H new ATOM 0 HG CYS A 63 3.335 -4.134 12.621 1.00 0.00 H new ATOM 971 N PRO A 64 6.170 -5.921 9.216 1.00 0.00 N ATOM 972 CA PRO A 64 7.535 -5.499 8.888 1.00 0.00 C ATOM 973 C PRO A 64 8.124 -4.569 9.943 1.00 0.00 C ATOM 974 O PRO A 64 9.183 -3.975 9.738 1.00 0.00 O ATOM 975 CB PRO A 64 7.367 -4.760 7.558 1.00 0.00 C ATOM 976 CG PRO A 64 5.956 -4.283 7.564 1.00 0.00 C ATOM 977 CD PRO A 64 5.171 -5.324 8.314 1.00 0.00 C ATOM 0 HA PRO A 64 8.222 -6.344 8.839 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.066 -3.927 7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.558 -5.420 6.712 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.875 -3.309 8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.579 -4.167 6.548 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.343 -4.881 8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.743 -6.067 7.641 1.00 0.00 H new ATOM 985 N ILE A 65 7.432 -4.448 11.071 1.00 0.00 N ATOM 986 CA ILE A 65 7.889 -3.592 12.158 1.00 0.00 C ATOM 987 C ILE A 65 8.169 -4.405 13.418 1.00 0.00 C ATOM 988 O ILE A 65 9.303 -4.461 13.895 1.00 0.00 O ATOM 989 CB ILE A 65 6.855 -2.499 12.486 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.501 -1.707 11.226 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.390 -1.571 13.567 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.614 -0.511 11.492 1.00 0.00 C ATOM 0 H ILE A 65 6.553 -4.932 11.256 1.00 0.00 H new ATOM 0 HA ILE A 65 8.812 -3.119 11.821 1.00 0.00 H new ATOM 0 HB ILE A 65 5.949 -2.977 12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.421 -1.368 10.750 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.001 -2.369 10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.648 -0.804 13.788 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.598 -2.146 14.470 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.308 -1.098 13.219 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.404 0.002 10.554 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.678 -0.845 11.940 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.120 0.172 12.174 1.00 0.00 H new ATOM 1004 N CYS A 66 7.128 -5.036 13.952 1.00 0.00 N ATOM 1005 CA CYS A 66 7.261 -5.848 15.155 1.00 0.00 C ATOM 1006 C CYS A 66 7.095 -7.330 14.832 1.00 0.00 C ATOM 1007 O CYS A 66 6.787 -8.137 15.710 1.00 0.00 O ATOM 1008 CB CYS A 66 6.226 -5.423 16.199 1.00 0.00 C ATOM 1009 SG CYS A 66 4.498 -5.600 15.647 1.00 0.00 S ATOM 0 H CYS A 66 6.183 -5.000 13.570 1.00 0.00 H new ATOM 0 HA CYS A 66 8.261 -5.692 15.560 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.371 -6.017 17.101 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.405 -4.383 16.470 1.00 0.00 H new ATOM 0 HG CYS A 66 4.412 -5.294 14.386 1.00 0.00 H new ATOM 1014 N ARG A 67 7.302 -7.681 13.567 1.00 0.00 N ATOM 1015 CA ARG A 67 7.175 -9.065 13.128 1.00 0.00 C ATOM 1016 C ARG A 67 6.108 -9.797 13.937 1.00 0.00 C ATOM 1017 O ARG A 67 6.275 -10.963 14.293 1.00 0.00 O ATOM 1018 CB ARG A 67 8.516 -9.790 13.260 1.00 0.00 C ATOM 1019 CG ARG A 67 9.617 -9.196 12.397 1.00 0.00 C ATOM 1020 CD ARG A 67 10.311 -8.039 13.098 1.00 0.00 C ATOM 1021 NE ARG A 67 11.482 -7.574 12.358 1.00 0.00 N ATOM 1022 CZ ARG A 67 12.682 -8.135 12.453 1.00 0.00 C ATOM 1023 NH1 ARG A 67 12.869 -9.177 13.251 1.00 0.00 N ATOM 1024 NH2 ARG A 67 13.698 -7.655 11.747 1.00 0.00 N ATOM 0 H ARG A 67 7.558 -7.026 12.828 1.00 0.00 H new ATOM 0 HA ARG A 67 6.873 -9.061 12.081 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.831 -9.766 14.303 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.381 -10.838 12.992 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.348 -9.968 12.156 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.195 -8.851 11.453 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.608 -7.215 13.220 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.614 -8.350 14.098 1.00 0.00 H new ATOM 0 HE ARG A 67 11.372 -6.775 11.734 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.090 -9.550 13.794 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.792 -9.606 13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.558 -6.854 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.619 -8.087 11.821 1.00 0.00 H new ATOM 1038 N ALA A 68 5.011 -9.103 14.223 1.00 0.00 N ATOM 1039 CA ALA A 68 3.916 -9.686 14.988 1.00 0.00 C ATOM 1040 C ALA A 68 2.938 -10.419 14.076 1.00 0.00 C ATOM 1041 O ALA A 68 2.213 -9.796 13.299 1.00 0.00 O ATOM 1042 CB ALA A 68 3.194 -8.608 15.782 1.00 0.00 C ATOM 0 H ALA A 68 4.857 -8.136 13.936 1.00 0.00 H new ATOM 0 HA ALA A 68 4.338 -10.412 15.683 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.379 -9.058 16.348 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.894 -8.132 16.469 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.792 -7.861 15.098 1.00 0.00 H new ATOM 1048 N ASP A 69 2.923 -11.743 14.174 1.00 0.00 N ATOM 1049 CA ASP A 69 2.034 -12.561 13.357 1.00 0.00 C ATOM 1050 C ASP A 69 0.692 -11.864 13.151 1.00 0.00 C ATOM 1051 O ASP A 69 -0.004 -11.539 14.113 1.00 0.00 O ATOM 1052 CB ASP A 69 1.818 -13.927 14.011 1.00 0.00 C ATOM 1053 CG ASP A 69 0.920 -14.828 13.186 1.00 0.00 C ATOM 1054 OD1 ASP A 69 1.293 -15.146 12.037 1.00 0.00 O ATOM 1055 OD2 ASP A 69 -0.154 -15.216 13.690 1.00 0.00 O ATOM 0 H ASP A 69 3.517 -12.274 14.811 1.00 0.00 H new ATOM 0 HA ASP A 69 2.503 -12.703 12.383 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.782 -14.414 14.156 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.380 -13.788 14.999 1.00 0.00 H new ATOM 1060 N SER A 70 0.337 -11.637 11.890 1.00 0.00 N ATOM 1061 CA SER A 70 -0.919 -10.975 11.558 1.00 0.00 C ATOM 1062 C SER A 70 -2.111 -11.850 11.934 1.00 0.00 C ATOM 1063 O SER A 70 -3.125 -11.358 12.428 1.00 0.00 O ATOM 1064 CB SER A 70 -0.965 -10.644 10.065 1.00 0.00 C ATOM 1065 OG SER A 70 -0.801 -11.811 9.278 1.00 0.00 O ATOM 0 H SER A 70 0.901 -11.902 11.082 1.00 0.00 H new ATOM 0 HA SER A 70 -0.976 -10.049 12.131 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.916 -10.170 9.824 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.181 -9.926 9.824 1.00 0.00 H new ATOM 0 HG SER A 70 0.147 -12.059 9.254 1.00 0.00 H new