USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=13 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 94:sc= -0.333 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.182 K(o=-5.6,f=-6.6) USER MOD Set 1.3: A 63 CYS SG : rot 143:sc= -1.48 USER MOD Set 1.4: A 66 CYS SG : rot -41:sc= -3.63! USER MOD Set 2.1: A 26 CYS SG : rot 168:sc= -0.73 USER MOD Set 2.2: A 29 CYS SG : rot -52:sc= -3.04! USER MOD Set 2.3: A 31 CYS SG : rot 180:sc= -0.0165 USER MOD Set 2.4: A 49 HIS : no HD1:sc= -2.5 K(o=-7.7,f=-7.2!) USER MOD Set 2.5: A 52 CYS SG : rot -166:sc= -1.44 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 45:sc= 1.1 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -69:sc= 0.018 USER MOD Single : A 37 GLN : amide:sc= -0.664 K(o=-0.66,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.0719 X(o=-0.072,f=-0.22) USER MOD Single : A 51 LYS NZ :NH3+ -149:sc=-0.00755 (180deg=-0.679) 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 180:sc= -0.138 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.360 3.395 5.692 1.00 0.00 N ATOM 128 CA TYR A 12 -9.726 4.776 5.980 1.00 0.00 C ATOM 129 C TYR A 12 -8.686 5.743 5.421 1.00 0.00 C ATOM 130 O TYR A 12 -7.519 5.387 5.251 1.00 0.00 O ATOM 131 CB TYR A 12 -9.872 4.984 7.488 1.00 0.00 C ATOM 132 CG TYR A 12 -8.552 5.140 8.209 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.748 6.253 7.995 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.108 4.174 9.104 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.541 6.400 8.650 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.903 4.313 9.765 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.123 5.427 9.535 1.00 0.00 C ATOM 138 OH TYR A 12 -4.922 5.569 10.190 1.00 0.00 O ATOM 0 HA TYR A 12 -10.682 4.979 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.481 5.870 7.667 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.410 4.137 7.913 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.073 7.017 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.715 3.300 9.286 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.928 7.271 8.471 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.573 3.553 10.458 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.777 4.798 10.777 1.00 0.00 H new ATOM 148 N ARG A 13 -9.118 6.967 5.137 1.00 0.00 N ATOM 149 CA ARG A 13 -8.225 7.986 4.597 1.00 0.00 C ATOM 150 C ARG A 13 -7.524 8.745 5.719 1.00 0.00 C ATOM 151 O ARG A 13 -8.165 9.221 6.656 1.00 0.00 O ATOM 152 CB ARG A 13 -9.006 8.963 3.716 1.00 0.00 C ATOM 153 CG ARG A 13 -9.209 8.472 2.292 1.00 0.00 C ATOM 154 CD ARG A 13 -10.293 9.264 1.578 1.00 0.00 C ATOM 155 NE ARG A 13 -11.628 8.749 1.868 1.00 0.00 N ATOM 156 CZ ARG A 13 -12.389 9.196 2.861 1.00 0.00 C ATOM 157 NH1 ARG A 13 -11.948 10.163 3.655 1.00 0.00 N ATOM 158 NH2 ARG A 13 -13.593 8.677 3.062 1.00 0.00 N ATOM 0 H ARG A 13 -10.080 7.277 5.272 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.468 7.487 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.980 9.149 4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.479 9.917 3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.273 8.556 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.478 7.416 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.235 10.310 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.117 9.231 0.503 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.997 8.005 1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.023 10.565 3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.534 10.505 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.936 7.933 2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.176 9.021 3.825 1.00 0.00 H new ATOM 172 N PHE A 14 -6.203 8.853 5.618 1.00 0.00 N ATOM 173 CA PHE A 14 -5.414 9.553 6.625 1.00 0.00 C ATOM 174 C PHE A 14 -5.883 10.997 6.777 1.00 0.00 C ATOM 175 O PHE A 14 -6.259 11.645 5.801 1.00 0.00 O ATOM 176 CB PHE A 14 -3.931 9.524 6.252 1.00 0.00 C ATOM 177 CG PHE A 14 -3.073 10.381 7.138 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.179 11.762 7.101 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.159 9.806 8.007 1.00 0.00 C ATOM 180 CE1 PHE A 14 -2.391 12.554 7.916 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.369 10.592 8.824 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.484 11.968 8.777 1.00 0.00 C ATOM 0 H PHE A 14 -5.657 8.465 4.849 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.552 9.042 7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.573 8.495 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.818 9.855 5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.885 12.225 6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.063 8.731 8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.485 13.629 7.879 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.662 10.131 9.498 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.866 12.584 9.413 1.00 0.00 H new ATOM 326 N THR A 24 2.755 7.936 12.642 1.00 0.00 N ATOM 327 CA THR A 24 2.284 7.230 11.457 1.00 0.00 C ATOM 328 C THR A 24 3.346 7.222 10.363 1.00 0.00 C ATOM 329 O THR A 24 3.539 8.217 9.664 1.00 0.00 O ATOM 330 CB THR A 24 0.995 7.863 10.900 1.00 0.00 C ATOM 331 OG1 THR A 24 1.259 9.198 10.453 1.00 0.00 O ATOM 332 CG2 THR A 24 -0.098 7.884 11.958 1.00 0.00 C ATOM 0 HA THR A 24 2.074 6.205 11.763 1.00 0.00 H new ATOM 0 HB THR A 24 0.653 7.259 10.059 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.089 9.210 9.932 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.999 8.335 11.542 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.317 6.864 12.276 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.237 8.467 12.816 1.00 0.00 H new ATOM 340 N LEU A 25 4.032 6.093 10.220 1.00 0.00 N ATOM 341 CA LEU A 25 5.075 5.955 9.209 1.00 0.00 C ATOM 342 C LEU A 25 5.058 4.559 8.597 1.00 0.00 C ATOM 343 O LEU A 25 4.916 3.560 9.304 1.00 0.00 O ATOM 344 CB LEU A 25 6.447 6.239 9.823 1.00 0.00 C ATOM 345 CG LEU A 25 7.630 6.230 8.854 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.730 7.159 9.346 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.164 4.816 8.677 1.00 0.00 C ATOM 0 H LEU A 25 3.885 5.261 10.791 1.00 0.00 H new ATOM 0 HA LEU A 25 4.880 6.680 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.410 7.213 10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.635 5.499 10.601 1.00 0.00 H new ATOM 0 HG LEU A 25 7.284 6.590 7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.564 7.140 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.342 8.175 9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.074 6.829 10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.005 4.829 7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.494 4.428 9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.376 4.177 8.279 1.00 0.00 H new ATOM 359 N CYS A 26 5.207 4.495 7.278 1.00 0.00 N ATOM 360 CA CYS A 26 5.211 3.221 6.569 1.00 0.00 C ATOM 361 C CYS A 26 6.596 2.582 6.606 1.00 0.00 C ATOM 362 O CYS A 26 7.476 2.935 5.821 1.00 0.00 O ATOM 363 CB CYS A 26 4.768 3.420 5.118 1.00 0.00 C ATOM 364 SG CYS A 26 4.699 1.882 4.144 1.00 0.00 S ATOM 0 H CYS A 26 5.327 5.311 6.678 1.00 0.00 H new ATOM 0 HA CYS A 26 4.509 2.554 7.068 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.783 3.886 5.111 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.453 4.115 4.632 1.00 0.00 H new ATOM 0 HG CYS A 26 4.085 2.107 3.021 1.00 0.00 H new ATOM 369 N VAL A 27 6.782 1.639 7.524 1.00 0.00 N ATOM 370 CA VAL A 27 8.059 0.949 7.664 1.00 0.00 C ATOM 371 C VAL A 27 8.492 0.321 6.344 1.00 0.00 C ATOM 372 O VAL A 27 9.682 0.249 6.039 1.00 0.00 O ATOM 373 CB VAL A 27 7.989 -0.147 8.743 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.529 -1.465 8.137 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.339 -0.308 9.427 1.00 0.00 C ATOM 0 H VAL A 27 6.064 1.335 8.182 1.00 0.00 H new ATOM 0 HA VAL A 27 8.792 1.698 7.964 1.00 0.00 H new ATOM 0 HB VAL A 27 7.260 0.154 9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.486 -2.228 8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.540 -1.338 7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.232 -1.775 7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.271 -1.087 10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.090 -0.586 8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.623 0.634 9.897 1.00 0.00 H new ATOM 385 N VAL A 28 7.516 -0.132 5.563 1.00 0.00 N ATOM 386 CA VAL A 28 7.795 -0.753 4.274 1.00 0.00 C ATOM 387 C VAL A 28 8.629 0.167 3.389 1.00 0.00 C ATOM 388 O VAL A 28 9.783 -0.129 3.080 1.00 0.00 O ATOM 389 CB VAL A 28 6.495 -1.120 3.534 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.806 -1.869 2.247 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.585 -1.942 4.433 1.00 0.00 C ATOM 0 H VAL A 28 6.525 -0.080 5.801 1.00 0.00 H new ATOM 0 HA VAL A 28 8.358 -1.664 4.477 1.00 0.00 H new ATOM 0 HB VAL A 28 5.974 -0.199 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.875 -2.120 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.416 -1.240 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.350 -2.784 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.671 -2.193 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.096 -2.859 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.335 -1.365 5.323 1.00 0.00 H new ATOM 401 N CYS A 29 8.036 1.286 2.985 1.00 0.00 N ATOM 402 CA CYS A 29 8.723 2.251 2.136 1.00 0.00 C ATOM 403 C CYS A 29 9.093 3.504 2.925 1.00 0.00 C ATOM 404 O CYS A 29 9.208 4.592 2.363 1.00 0.00 O ATOM 405 CB CYS A 29 7.842 2.629 0.943 1.00 0.00 C ATOM 406 SG CYS A 29 6.436 3.707 1.368 1.00 0.00 S ATOM 0 H CYS A 29 7.081 1.546 3.232 1.00 0.00 H new ATOM 0 HA CYS A 29 9.640 1.788 1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.457 3.130 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.461 1.717 0.483 1.00 0.00 H new ATOM 0 HG CYS A 29 5.763 3.177 2.346 1.00 0.00 H new ATOM 411 N MET A 30 9.279 3.340 4.231 1.00 0.00 N ATOM 412 CA MET A 30 9.638 4.456 5.097 1.00 0.00 C ATOM 413 C MET A 30 9.019 5.756 4.593 1.00 0.00 C ATOM 414 O MET A 30 9.707 6.769 4.455 1.00 0.00 O ATOM 415 CB MET A 30 11.159 4.599 5.178 1.00 0.00 C ATOM 416 CG MET A 30 11.876 3.294 5.484 1.00 0.00 C ATOM 417 SD MET A 30 13.398 3.541 6.419 1.00 0.00 S ATOM 418 CE MET A 30 12.846 3.143 8.075 1.00 0.00 C ATOM 0 H MET A 30 9.187 2.445 4.712 1.00 0.00 H new ATOM 0 HA MET A 30 9.247 4.250 6.093 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.530 4.995 4.232 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.407 5.330 5.948 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.210 2.641 6.048 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.107 2.783 4.549 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.678 3.249 8.771 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.042 3.821 8.363 1.00 0.00 H new ATOM 0 HE3 MET A 30 12.481 2.116 8.100 1.00 0.00 H new ATOM 428 N CYS A 31 7.720 5.721 4.319 1.00 0.00 N ATOM 429 CA CYS A 31 7.010 6.897 3.829 1.00 0.00 C ATOM 430 C CYS A 31 5.991 7.383 4.855 1.00 0.00 C ATOM 431 O CYS A 31 5.168 6.609 5.343 1.00 0.00 O ATOM 432 CB CYS A 31 6.309 6.581 2.507 1.00 0.00 C ATOM 433 SG CYS A 31 5.484 8.001 1.751 1.00 0.00 S ATOM 0 H CYS A 31 7.137 4.891 4.428 1.00 0.00 H new ATOM 0 HA CYS A 31 7.740 7.690 3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.042 6.184 1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.573 5.795 2.677 1.00 0.00 H new ATOM 0 HG CYS A 31 4.923 7.634 0.637 1.00 0.00 H new ATOM 439 N ASP A 32 6.053 8.671 5.178 1.00 0.00 N ATOM 440 CA ASP A 32 5.136 9.261 6.146 1.00 0.00 C ATOM 441 C ASP A 32 3.871 9.765 5.459 1.00 0.00 C ATOM 442 O ASP A 32 3.853 10.858 4.893 1.00 0.00 O ATOM 443 CB ASP A 32 5.818 10.409 6.892 1.00 0.00 C ATOM 444 CG ASP A 32 6.677 11.262 5.980 1.00 0.00 C ATOM 445 OD1 ASP A 32 6.216 11.592 4.868 1.00 0.00 O ATOM 446 OD2 ASP A 32 7.812 11.600 6.378 1.00 0.00 O ATOM 0 H ASP A 32 6.729 9.326 4.784 1.00 0.00 H new ATOM 0 HA ASP A 32 4.856 8.488 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.059 11.035 7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.436 10.002 7.692 1.00 0.00 H new ATOM 451 N PHE A 33 2.814 8.961 5.512 1.00 0.00 N ATOM 452 CA PHE A 33 1.545 9.325 4.893 1.00 0.00 C ATOM 453 C PHE A 33 1.298 10.827 5.001 1.00 0.00 C ATOM 454 O PHE A 33 1.756 11.475 5.941 1.00 0.00 O ATOM 455 CB PHE A 33 0.395 8.559 5.550 1.00 0.00 C ATOM 456 CG PHE A 33 0.797 7.212 6.080 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.122 6.181 5.213 1.00 0.00 C ATOM 458 CD2 PHE A 33 0.850 6.977 7.444 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.493 4.940 5.697 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.220 5.739 7.934 1.00 0.00 C ATOM 461 CZ PHE A 33 1.541 4.719 7.060 1.00 0.00 C ATOM 0 H PHE A 33 2.811 8.053 5.977 1.00 0.00 H new ATOM 0 HA PHE A 33 1.594 9.058 3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.009 9.156 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.407 8.430 4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.085 6.349 4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.599 7.770 8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.745 4.145 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.258 5.569 9.000 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.829 3.750 7.441 1.00 0.00 H new ATOM 471 N GLU A 34 0.570 11.372 4.031 1.00 0.00 N ATOM 472 CA GLU A 34 0.263 12.797 4.017 1.00 0.00 C ATOM 473 C GLU A 34 -1.209 13.040 4.336 1.00 0.00 C ATOM 474 O GLU A 34 -1.551 13.508 5.422 1.00 0.00 O ATOM 475 CB GLU A 34 0.607 13.402 2.654 1.00 0.00 C ATOM 476 CG GLU A 34 0.749 14.914 2.677 1.00 0.00 C ATOM 477 CD GLU A 34 0.382 15.555 1.353 1.00 0.00 C ATOM 478 OE1 GLU A 34 -0.815 15.846 1.146 1.00 0.00 O ATOM 479 OE2 GLU A 34 1.291 15.765 0.523 1.00 0.00 O ATOM 0 H GLU A 34 0.183 10.849 3.246 1.00 0.00 H new ATOM 0 HA GLU A 34 0.868 13.280 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.539 12.964 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.169 13.129 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.114 15.323 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.777 15.175 2.930 1.00 0.00 H new ATOM 486 N SER A 35 -2.076 12.719 3.381 1.00 0.00 N ATOM 487 CA SER A 35 -3.512 12.906 3.558 1.00 0.00 C ATOM 488 C SER A 35 -4.280 12.386 2.347 1.00 0.00 C ATOM 489 O SER A 35 -3.767 12.381 1.228 1.00 0.00 O ATOM 490 CB SER A 35 -3.831 14.385 3.783 1.00 0.00 C ATOM 491 OG SER A 35 -3.603 15.141 2.605 1.00 0.00 O ATOM 0 H SER A 35 -1.810 12.328 2.477 1.00 0.00 H new ATOM 0 HA SER A 35 -3.823 12.338 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.870 14.493 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.215 14.774 4.594 1.00 0.00 H new ATOM 0 HG SER A 35 -2.641 15.176 2.420 1.00 0.00 H new ATOM 497 N ARG A 36 -5.514 11.951 2.579 1.00 0.00 N ATOM 498 CA ARG A 36 -6.354 11.428 1.508 1.00 0.00 C ATOM 499 C ARG A 36 -5.690 10.233 0.830 1.00 0.00 C ATOM 500 O ARG A 36 -5.730 10.101 -0.393 1.00 0.00 O ATOM 501 CB ARG A 36 -6.640 12.520 0.476 1.00 0.00 C ATOM 502 CG ARG A 36 -7.402 13.708 1.041 1.00 0.00 C ATOM 503 CD ARG A 36 -7.024 15.000 0.333 1.00 0.00 C ATOM 504 NE ARG A 36 -7.989 16.066 0.588 1.00 0.00 N ATOM 505 CZ ARG A 36 -9.139 16.188 -0.065 1.00 0.00 C ATOM 506 NH1 ARG A 36 -9.466 15.314 -1.007 1.00 0.00 N ATOM 507 NH2 ARG A 36 -9.965 17.185 0.224 1.00 0.00 N ATOM 0 H ARG A 36 -5.954 11.950 3.499 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.295 11.097 1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.696 12.870 0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.212 12.090 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.474 13.536 0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.194 13.802 2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.036 15.319 0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.958 14.820 -0.740 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.768 16.755 1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.834 14.546 -1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.350 15.410 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.717 17.859 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.848 17.278 -0.278 1.00 0.00 H new ATOM 521 N GLN A 37 -5.080 9.368 1.633 1.00 0.00 N ATOM 522 CA GLN A 37 -4.406 8.185 1.110 1.00 0.00 C ATOM 523 C GLN A 37 -4.875 6.927 1.832 1.00 0.00 C ATOM 524 O GLN A 37 -4.957 6.897 3.061 1.00 0.00 O ATOM 525 CB GLN A 37 -2.890 8.332 1.249 1.00 0.00 C ATOM 526 CG GLN A 37 -2.320 9.514 0.481 1.00 0.00 C ATOM 527 CD GLN A 37 -0.881 9.295 0.057 1.00 0.00 C ATOM 528 OE1 GLN A 37 -0.612 8.675 -0.973 1.00 0.00 O ATOM 529 NE2 GLN A 37 0.054 9.803 0.850 1.00 0.00 N ATOM 0 H GLN A 37 -5.038 9.464 2.648 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.659 8.091 0.054 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.639 8.440 2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.411 7.417 0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.931 9.697 -0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.380 10.408 1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.213 10.310 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.040 9.687 0.616 1.00 0.00 H new ATOM 538 N LEU A 38 -5.183 5.889 1.062 1.00 0.00 N ATOM 539 CA LEU A 38 -5.644 4.626 1.629 1.00 0.00 C ATOM 540 C LEU A 38 -4.525 3.934 2.401 1.00 0.00 C ATOM 541 O LEU A 38 -3.484 3.596 1.836 1.00 0.00 O ATOM 542 CB LEU A 38 -6.161 3.706 0.521 1.00 0.00 C ATOM 543 CG LEU A 38 -7.297 2.760 0.910 1.00 0.00 C ATOM 544 CD1 LEU A 38 -6.920 1.949 2.141 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.580 3.540 1.157 1.00 0.00 C ATOM 0 H LEU A 38 -5.122 5.897 0.044 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.457 4.842 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.499 4.325 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.327 3.108 0.154 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.467 2.070 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.741 1.282 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.027 1.360 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.721 2.623 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.378 2.850 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.422 4.254 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.861 4.075 0.250 1.00 0.00 H new ATOM 557 N LEU A 39 -4.747 3.724 3.693 1.00 0.00 N ATOM 558 CA LEU A 39 -3.759 3.069 4.543 1.00 0.00 C ATOM 559 C LEU A 39 -4.390 1.928 5.334 1.00 0.00 C ATOM 560 O LEU A 39 -5.548 2.010 5.744 1.00 0.00 O ATOM 561 CB LEU A 39 -3.130 4.082 5.502 1.00 0.00 C ATOM 562 CG LEU A 39 -2.688 5.408 4.882 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.244 6.381 5.963 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.570 5.180 3.876 1.00 0.00 C ATOM 0 H LEU A 39 -5.603 3.998 4.176 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.982 2.655 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.847 4.296 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.264 3.617 5.973 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.539 5.843 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.933 7.319 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.072 6.569 6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.408 5.953 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.268 6.135 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.717 4.722 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.922 4.519 3.084 1.00 0.00 H new ATOM 576 N ARG A 40 -3.621 0.865 5.545 1.00 0.00 N ATOM 577 CA ARG A 40 -4.105 -0.293 6.287 1.00 0.00 C ATOM 578 C ARG A 40 -3.363 -0.438 7.612 1.00 0.00 C ATOM 579 O ARG A 40 -2.138 -0.557 7.640 1.00 0.00 O ATOM 580 CB ARG A 40 -3.939 -1.565 5.454 1.00 0.00 C ATOM 581 CG ARG A 40 -5.003 -1.736 4.383 1.00 0.00 C ATOM 582 CD ARG A 40 -5.289 -3.204 4.110 1.00 0.00 C ATOM 583 NE ARG A 40 -4.189 -3.854 3.404 1.00 0.00 N ATOM 584 CZ ARG A 40 -4.215 -5.123 3.011 1.00 0.00 C ATOM 585 NH1 ARG A 40 -5.281 -5.874 3.255 1.00 0.00 N ATOM 586 NH2 ARG A 40 -3.174 -5.643 2.373 1.00 0.00 N ATOM 0 H ARG A 40 -2.660 0.782 5.213 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.164 -0.142 6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.957 -1.553 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.962 -2.429 6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.920 -1.238 4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.676 -1.251 3.463 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.469 -3.720 5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.201 -3.292 3.519 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.354 -3.304 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.083 -5.477 3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.299 -6.848 2.952 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.353 -5.068 2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.195 -6.617 2.072 1.00 0.00 H new ATOM 600 N VAL A 41 -4.113 -0.428 8.709 1.00 0.00 N ATOM 601 CA VAL A 41 -3.526 -0.559 10.038 1.00 0.00 C ATOM 602 C VAL A 41 -3.470 -2.020 10.472 1.00 0.00 C ATOM 603 O VAL A 41 -4.502 -2.680 10.601 1.00 0.00 O ATOM 604 CB VAL A 41 -4.320 0.246 11.084 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.651 0.156 12.447 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.462 1.695 10.645 1.00 0.00 C ATOM 0 H VAL A 41 -5.128 -0.331 8.704 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.513 -0.162 9.978 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.318 -0.184 11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.226 0.731 13.173 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.607 -0.886 12.762 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.640 0.559 12.384 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.026 2.249 11.396 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.473 2.140 10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.989 1.736 9.692 1.00 0.00 H new ATOM 616 N LEU A 42 -2.260 -2.518 10.696 1.00 0.00 N ATOM 617 CA LEU A 42 -2.068 -3.902 11.117 1.00 0.00 C ATOM 618 C LEU A 42 -2.750 -4.163 12.456 1.00 0.00 C ATOM 619 O LEU A 42 -3.010 -3.248 13.237 1.00 0.00 O ATOM 620 CB LEU A 42 -0.576 -4.222 11.220 1.00 0.00 C ATOM 621 CG LEU A 42 0.150 -4.471 9.898 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.615 -4.798 10.146 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.524 -5.593 9.122 1.00 0.00 C ATOM 0 H LEU A 42 -1.397 -1.985 10.593 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.521 -4.551 10.367 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.082 -3.396 11.733 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.457 -5.104 11.849 1.00 0.00 H new ATOM 0 HG LEU A 42 0.098 -3.561 9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.115 -4.972 9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.092 -3.963 10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.689 -5.693 10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.006 -5.756 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.504 -6.508 9.714 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.558 -5.320 8.911 1.00 0.00 H new ATOM 635 N PRO A 43 -3.044 -5.443 12.731 1.00 0.00 N ATOM 636 CA PRO A 43 -3.697 -5.855 13.977 1.00 0.00 C ATOM 637 C PRO A 43 -2.782 -5.703 15.188 1.00 0.00 C ATOM 638 O PRO A 43 -3.152 -6.060 16.307 1.00 0.00 O ATOM 639 CB PRO A 43 -4.024 -7.330 13.736 1.00 0.00 C ATOM 640 CG PRO A 43 -3.027 -7.778 12.723 1.00 0.00 C ATOM 641 CD PRO A 43 -2.763 -6.586 11.846 1.00 0.00 C ATOM 0 HA PRO A 43 -4.570 -5.242 14.201 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.942 -7.909 14.656 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.043 -7.455 13.371 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.110 -8.120 13.203 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.412 -8.614 12.139 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.734 -6.572 11.486 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.408 -6.582 10.968 1.00 0.00 H new ATOM 649 N CYS A 44 -1.587 -5.170 14.958 1.00 0.00 N ATOM 650 CA CYS A 44 -0.619 -4.971 16.029 1.00 0.00 C ATOM 651 C CYS A 44 -0.476 -3.489 16.365 1.00 0.00 C ATOM 652 O CYS A 44 0.468 -3.083 17.040 1.00 0.00 O ATOM 653 CB CYS A 44 0.741 -5.548 15.630 1.00 0.00 C ATOM 654 SG CYS A 44 1.246 -5.151 13.926 1.00 0.00 S ATOM 0 H CYS A 44 -1.266 -4.868 14.038 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.982 -5.493 16.914 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.499 -5.174 16.319 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.712 -6.631 15.746 1.00 0.00 H new ATOM 0 HG CYS A 44 1.983 -4.080 13.930 1.00 0.00 H new ATOM 659 N ASN A 45 -1.422 -2.686 15.887 1.00 0.00 N ATOM 660 CA ASN A 45 -1.401 -1.249 16.135 1.00 0.00 C ATOM 661 C ASN A 45 -0.289 -0.575 15.338 1.00 0.00 C ATOM 662 O ASN A 45 0.553 0.127 15.899 1.00 0.00 O ATOM 663 CB ASN A 45 -1.215 -0.972 17.628 1.00 0.00 C ATOM 664 CG ASN A 45 -1.540 0.464 17.995 1.00 0.00 C ATOM 665 OD1 ASN A 45 -2.615 0.970 17.670 1.00 0.00 O ATOM 666 ND2 ASN A 45 -0.611 1.126 18.674 1.00 0.00 N ATOM 0 H ASN A 45 -2.212 -3.006 15.326 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.356 -0.835 15.811 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.853 -1.644 18.202 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.185 -1.192 17.910 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.773 2.095 18.948 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.265 0.666 18.921 1.00 0.00 H new ATOM 673 N HIS A 46 -0.292 -0.793 14.027 1.00 0.00 N ATOM 674 CA HIS A 46 0.716 -0.205 13.152 1.00 0.00 C ATOM 675 C HIS A 46 0.093 0.253 11.836 1.00 0.00 C ATOM 676 O HIS A 46 -0.746 -0.441 11.263 1.00 0.00 O ATOM 677 CB HIS A 46 1.833 -1.212 12.878 1.00 0.00 C ATOM 678 CG HIS A 46 2.853 -1.288 13.972 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.495 -2.457 14.322 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.341 -0.331 14.795 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.334 -2.216 15.314 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.260 -0.933 15.620 1.00 0.00 N ATOM 0 H HIS A 46 -0.981 -1.372 13.547 1.00 0.00 H new ATOM 0 HA HIS A 46 1.137 0.665 13.656 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.394 -2.199 12.733 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.331 -0.945 11.946 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.060 0.712 14.802 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.972 -2.944 15.793 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.798 -0.465 16.350 1.00 0.00 H new ATOM 690 N GLU A 47 0.510 1.424 11.366 1.00 0.00 N ATOM 691 CA GLU A 47 -0.009 1.974 10.119 1.00 0.00 C ATOM 692 C GLU A 47 0.866 1.566 8.938 1.00 0.00 C ATOM 693 O GLU A 47 2.087 1.466 9.062 1.00 0.00 O ATOM 694 CB GLU A 47 -0.092 3.500 10.204 1.00 0.00 C ATOM 695 CG GLU A 47 -0.963 4.000 11.344 1.00 0.00 C ATOM 696 CD GLU A 47 -0.459 3.552 12.702 1.00 0.00 C ATOM 697 OE1 GLU A 47 0.599 4.053 13.137 1.00 0.00 O ATOM 698 OE2 GLU A 47 -1.123 2.701 13.331 1.00 0.00 O ATOM 0 H GLU A 47 1.205 2.010 11.829 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.010 1.571 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.913 3.904 10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.483 3.887 9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.002 5.089 11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.982 3.641 11.202 1.00 0.00 H new ATOM 705 N PHE A 48 0.234 1.330 7.793 1.00 0.00 N ATOM 706 CA PHE A 48 0.954 0.931 6.590 1.00 0.00 C ATOM 707 C PHE A 48 0.226 1.408 5.337 1.00 0.00 C ATOM 708 O PHE A 48 -0.848 2.005 5.419 1.00 0.00 O ATOM 709 CB PHE A 48 1.120 -0.589 6.550 1.00 0.00 C ATOM 710 CG PHE A 48 1.929 -1.135 7.692 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.311 -1.190 7.614 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.307 -1.592 8.842 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.059 -1.691 8.663 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.050 -2.093 9.895 1.00 0.00 C ATOM 715 CZ PHE A 48 3.427 -2.144 9.805 1.00 0.00 C ATOM 0 H PHE A 48 -0.776 1.408 7.673 1.00 0.00 H new ATOM 0 HA PHE A 48 1.939 1.396 6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.134 -1.054 6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.597 -0.870 5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.810 -0.837 6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.230 -1.557 8.917 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.136 -1.728 8.590 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.554 -2.444 10.788 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.009 -2.537 10.626 1.00 0.00 H new ATOM 725 N HIS A 49 0.818 1.140 4.177 1.00 0.00 N ATOM 726 CA HIS A 49 0.226 1.542 2.906 1.00 0.00 C ATOM 727 C HIS A 49 -0.589 0.402 2.302 1.00 0.00 C ATOM 728 O HIS A 49 -0.070 -0.688 2.066 1.00 0.00 O ATOM 729 CB HIS A 49 1.317 1.978 1.927 1.00 0.00 C ATOM 730 CG HIS A 49 1.604 3.448 1.967 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.883 3.963 2.000 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.770 4.513 1.977 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.822 5.283 2.031 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.551 5.642 2.018 1.00 0.00 N ATOM 0 H HIS A 49 1.707 0.647 4.091 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.441 2.383 3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.233 1.431 2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.018 1.702 0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.309 4.481 1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.668 5.954 2.062 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.206 6.602 2.036 1.00 0.00 H new ATOM 742 N ALA A 50 -1.869 0.662 2.057 1.00 0.00 N ATOM 743 CA ALA A 50 -2.756 -0.341 1.481 1.00 0.00 C ATOM 744 C ALA A 50 -2.074 -1.083 0.336 1.00 0.00 C ATOM 745 O ALA A 50 -2.414 -2.227 0.033 1.00 0.00 O ATOM 746 CB ALA A 50 -4.044 0.308 0.999 1.00 0.00 C ATOM 0 H ALA A 50 -2.315 1.559 2.249 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.997 -1.067 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.697 -0.453 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.547 0.787 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.813 1.056 0.240 1.00 0.00 H new ATOM 752 N LYS A 51 -1.111 -0.424 -0.299 1.00 0.00 N ATOM 753 CA LYS A 51 -0.380 -1.020 -1.411 1.00 0.00 C ATOM 754 C LYS A 51 0.856 -1.763 -0.915 1.00 0.00 C ATOM 755 O LYS A 51 1.075 -2.925 -1.258 1.00 0.00 O ATOM 756 CB LYS A 51 0.029 0.059 -2.417 1.00 0.00 C ATOM 757 CG LYS A 51 0.898 1.151 -1.817 1.00 0.00 C ATOM 758 CD LYS A 51 1.176 2.257 -2.820 1.00 0.00 C ATOM 759 CE LYS A 51 0.121 3.351 -2.750 1.00 0.00 C ATOM 760 NZ LYS A 51 -1.015 3.087 -3.674 1.00 0.00 N ATOM 0 H LYS A 51 -0.818 0.524 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.039 -1.736 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.566 -0.410 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.869 0.511 -2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.404 1.570 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.840 0.722 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.159 2.686 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.202 1.839 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.252 3.430 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.576 4.310 -2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.411 3.990 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.678 2.538 -4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.751 2.548 -3.174 1.00 0.00 H new ATOM 774 N CYS A 52 1.662 -1.085 -0.104 1.00 0.00 N ATOM 775 CA CYS A 52 2.876 -1.680 0.442 1.00 0.00 C ATOM 776 C CYS A 52 2.556 -2.954 1.218 1.00 0.00 C ATOM 777 O CYS A 52 2.893 -4.057 0.788 1.00 0.00 O ATOM 778 CB CYS A 52 3.593 -0.681 1.353 1.00 0.00 C ATOM 779 SG CYS A 52 4.129 0.842 0.510 1.00 0.00 S ATOM 0 H CYS A 52 1.496 -0.122 0.190 1.00 0.00 H new ATOM 0 HA CYS A 52 3.531 -1.938 -0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.929 -0.414 2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.465 -1.167 1.792 1.00 0.00 H new ATOM 0 HG CYS A 52 4.970 1.483 1.266 1.00 0.00 H new ATOM 784 N VAL A 53 1.901 -2.794 2.364 1.00 0.00 N ATOM 785 CA VAL A 53 1.534 -3.930 3.200 1.00 0.00 C ATOM 786 C VAL A 53 0.917 -5.049 2.367 1.00 0.00 C ATOM 787 O VAL A 53 1.195 -6.227 2.589 1.00 0.00 O ATOM 788 CB VAL A 53 0.540 -3.518 4.302 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.831 -3.235 3.707 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.454 -4.597 5.371 1.00 0.00 C ATOM 0 H VAL A 53 1.614 -1.888 2.734 1.00 0.00 H new ATOM 0 HA VAL A 53 2.452 -4.290 3.665 1.00 0.00 H new ATOM 0 HB VAL A 53 0.902 -2.602 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.519 -2.946 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.753 -2.425 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.205 -4.131 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.253 -4.290 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.116 -5.530 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.437 -4.745 5.818 1.00 0.00 H new ATOM 800 N ASP A 54 0.080 -4.671 1.408 1.00 0.00 N ATOM 801 CA ASP A 54 -0.576 -5.642 0.539 1.00 0.00 C ATOM 802 C ASP A 54 0.449 -6.559 -0.122 1.00 0.00 C ATOM 803 O ASP A 54 0.262 -7.774 -0.185 1.00 0.00 O ATOM 804 CB ASP A 54 -1.402 -4.926 -0.530 1.00 0.00 C ATOM 805 CG ASP A 54 -1.675 -5.804 -1.735 1.00 0.00 C ATOM 806 OD1 ASP A 54 -0.746 -6.006 -2.545 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.818 -6.289 -1.869 1.00 0.00 O ATOM 0 H ASP A 54 -0.161 -3.699 1.212 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.240 -6.251 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.349 -4.603 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.875 -4.027 -0.851 1.00 0.00 H new ATOM 812 N LYS A 55 1.533 -5.968 -0.615 1.00 0.00 N ATOM 813 CA LYS A 55 2.588 -6.730 -1.271 1.00 0.00 C ATOM 814 C LYS A 55 3.439 -7.475 -0.248 1.00 0.00 C ATOM 815 O LYS A 55 3.762 -8.649 -0.432 1.00 0.00 O ATOM 816 CB LYS A 55 3.473 -5.801 -2.105 1.00 0.00 C ATOM 817 CG LYS A 55 4.730 -6.470 -2.634 1.00 0.00 C ATOM 818 CD LYS A 55 5.607 -5.489 -3.393 1.00 0.00 C ATOM 819 CE LYS A 55 7.013 -6.034 -3.589 1.00 0.00 C ATOM 820 NZ LYS A 55 7.845 -5.133 -4.433 1.00 0.00 N ATOM 0 H LYS A 55 1.703 -4.963 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 55 2.118 -7.462 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.894 -5.419 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.757 -4.942 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.293 -6.896 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.455 -7.296 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.160 -5.276 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.654 -4.545 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.490 -6.165 -2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.959 -7.019 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.796 -5.540 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.403 -5.028 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.918 -4.201 -3.978 1.00 0.00 H new ATOM 834 N TRP A 56 3.796 -6.787 0.831 1.00 0.00 N ATOM 835 CA TRP A 56 4.608 -7.386 1.884 1.00 0.00 C ATOM 836 C TRP A 56 3.971 -8.672 2.398 1.00 0.00 C ATOM 837 O TRP A 56 4.599 -9.733 2.392 1.00 0.00 O ATOM 838 CB TRP A 56 4.793 -6.398 3.037 1.00 0.00 C ATOM 839 CG TRP A 56 5.517 -6.984 4.211 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.959 -7.471 5.359 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.933 -7.142 4.353 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.943 -7.923 6.205 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.163 -7.733 5.611 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.029 -6.845 3.538 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.443 -8.029 6.071 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.299 -7.139 3.997 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.497 -7.727 5.253 1.00 0.00 C ATOM 0 H TRP A 56 3.536 -5.815 0.999 1.00 0.00 H new ATOM 0 HA TRP A 56 5.583 -7.629 1.463 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.344 -5.529 2.677 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.815 -6.043 3.362 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.900 -7.497 5.571 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.790 -8.334 7.126 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.886 -6.394 2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.598 -8.481 7.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.153 -6.912 3.377 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.502 -7.946 5.582 1.00 0.00 H new ATOM 858 N LEU A 57 2.723 -8.574 2.841 1.00 0.00 N ATOM 859 CA LEU A 57 2.001 -9.731 3.358 1.00 0.00 C ATOM 860 C LEU A 57 2.188 -10.940 2.448 1.00 0.00 C ATOM 861 O LEU A 57 2.251 -12.078 2.914 1.00 0.00 O ATOM 862 CB LEU A 57 0.512 -9.407 3.497 1.00 0.00 C ATOM 863 CG LEU A 57 0.142 -8.411 4.596 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.340 -8.074 4.534 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.507 -8.966 5.965 1.00 0.00 C ATOM 0 H LEU A 57 2.189 -7.705 2.853 1.00 0.00 H new ATOM 0 HA LEU A 57 2.407 -9.973 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.155 -9.015 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.026 -10.337 3.681 1.00 0.00 H new ATOM 0 HG LEU A 57 0.710 -7.495 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.585 -7.364 5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.573 -7.633 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.926 -8.983 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.236 -8.243 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.033 -9.897 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.580 -9.156 6.007 1.00 0.00 H new ATOM 877 N LYS A 58 2.276 -10.687 1.147 1.00 0.00 N ATOM 878 CA LYS A 58 2.459 -11.753 0.170 1.00 0.00 C ATOM 879 C LYS A 58 3.772 -12.492 0.409 1.00 0.00 C ATOM 880 O LYS A 58 3.832 -13.717 0.315 1.00 0.00 O ATOM 881 CB LYS A 58 2.435 -11.182 -1.250 1.00 0.00 C ATOM 882 CG LYS A 58 1.895 -12.152 -2.287 1.00 0.00 C ATOM 883 CD LYS A 58 2.202 -11.686 -3.700 1.00 0.00 C ATOM 884 CE LYS A 58 1.346 -12.414 -4.725 1.00 0.00 C ATOM 885 NZ LYS A 58 1.649 -13.872 -4.765 1.00 0.00 N ATOM 0 H LYS A 58 2.223 -9.751 0.744 1.00 0.00 H new ATOM 0 HA LYS A 58 1.638 -12.461 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.826 -10.278 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.446 -10.888 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.330 -13.138 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.817 -12.255 -2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.029 -10.613 -3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.256 -11.855 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.292 -12.268 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.513 -11.981 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.045 -14.333 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.648 -14.012 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.465 -14.291 -3.831 1.00 0.00 H new ATOM 899 N ALA A 59 4.821 -11.738 0.721 1.00 0.00 N ATOM 900 CA ALA A 59 6.132 -12.321 0.978 1.00 0.00 C ATOM 901 C ALA A 59 6.223 -12.863 2.401 1.00 0.00 C ATOM 902 O ALA A 59 6.683 -13.983 2.620 1.00 0.00 O ATOM 903 CB ALA A 59 7.225 -11.292 0.733 1.00 0.00 C ATOM 0 H ALA A 59 4.788 -10.722 0.802 1.00 0.00 H new ATOM 0 HA ALA A 59 6.272 -13.155 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.198 -11.742 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.182 -10.956 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.078 -10.440 1.397 1.00 0.00 H new ATOM 909 N ASN A 60 5.781 -12.061 3.364 1.00 0.00 N ATOM 910 CA ASN A 60 5.814 -12.460 4.766 1.00 0.00 C ATOM 911 C ASN A 60 4.471 -12.194 5.439 1.00 0.00 C ATOM 912 O ASN A 60 3.962 -11.073 5.410 1.00 0.00 O ATOM 913 CB ASN A 60 6.925 -11.712 5.505 1.00 0.00 C ATOM 914 CG ASN A 60 8.309 -12.164 5.080 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.700 -13.306 5.316 1.00 0.00 O ATOM 916 ND2 ASN A 60 9.056 -11.266 4.449 1.00 0.00 N ATOM 0 H ASN A 60 5.396 -11.131 3.199 1.00 0.00 H new ATOM 0 HA ASN A 60 6.016 -13.530 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.823 -10.642 5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.810 -11.864 6.578 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.996 -11.512 4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.690 -10.330 4.275 1.00 0.00 H new ATOM 923 N ARG A 61 3.903 -13.231 6.046 1.00 0.00 N ATOM 924 CA ARG A 61 2.619 -13.109 6.725 1.00 0.00 C ATOM 925 C ARG A 61 2.800 -12.544 8.131 1.00 0.00 C ATOM 926 O ARG A 61 2.124 -12.962 9.072 1.00 0.00 O ATOM 927 CB ARG A 61 1.925 -14.470 6.797 1.00 0.00 C ATOM 928 CG ARG A 61 2.565 -15.430 7.787 1.00 0.00 C ATOM 929 CD ARG A 61 3.568 -16.346 7.105 1.00 0.00 C ATOM 930 NE ARG A 61 3.951 -17.469 7.957 1.00 0.00 N ATOM 931 CZ ARG A 61 3.174 -18.525 8.173 1.00 0.00 C ATOM 932 NH1 ARG A 61 1.980 -18.602 7.602 1.00 0.00 N ATOM 933 NH2 ARG A 61 3.593 -19.507 8.961 1.00 0.00 N ATOM 0 H ARG A 61 4.312 -14.165 6.081 1.00 0.00 H new ATOM 0 HA ARG A 61 1.997 -12.421 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.881 -14.321 7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.933 -14.925 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.064 -14.864 8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.791 -16.029 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.140 -16.725 6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.457 -15.775 6.837 1.00 0.00 H new ATOM 0 HE ARG A 61 4.864 -17.441 8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.656 -17.849 6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.386 -19.414 7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.512 -19.451 9.401 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.996 -20.318 9.127 1.00 0.00 H new ATOM 947 N THR A 62 3.716 -11.591 8.267 1.00 0.00 N ATOM 948 CA THR A 62 3.988 -10.970 9.557 1.00 0.00 C ATOM 949 C THR A 62 4.209 -9.469 9.409 1.00 0.00 C ATOM 950 O THR A 62 4.242 -8.943 8.296 1.00 0.00 O ATOM 951 CB THR A 62 5.222 -11.595 10.234 1.00 0.00 C ATOM 952 OG1 THR A 62 6.292 -11.711 9.290 1.00 0.00 O ATOM 953 CG2 THR A 62 4.891 -12.967 10.802 1.00 0.00 C ATOM 0 H THR A 62 4.283 -11.232 7.499 1.00 0.00 H new ATOM 0 HA THR A 62 3.113 -11.146 10.182 1.00 0.00 H new ATOM 0 HB THR A 62 5.528 -10.944 11.053 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.074 -12.108 9.728 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.778 -13.389 11.275 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.096 -12.873 11.541 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.562 -13.624 9.997 1.00 0.00 H new ATOM 961 N CYS A 63 4.362 -8.784 10.537 1.00 0.00 N ATOM 962 CA CYS A 63 4.581 -7.343 10.534 1.00 0.00 C ATOM 963 C CYS A 63 6.067 -7.019 10.402 1.00 0.00 C ATOM 964 O CYS A 63 6.897 -7.462 11.196 1.00 0.00 O ATOM 965 CB CYS A 63 4.023 -6.717 11.814 1.00 0.00 C ATOM 966 SG CYS A 63 4.298 -4.921 11.945 1.00 0.00 S ATOM 0 H CYS A 63 4.338 -9.204 11.466 1.00 0.00 H new ATOM 0 HA CYS A 63 4.057 -6.923 9.675 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.952 -6.914 11.865 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.479 -7.207 12.674 1.00 0.00 H new ATOM 0 HG CYS A 63 3.261 -4.362 12.494 1.00 0.00 H new ATOM 971 N PRO A 64 6.411 -6.227 9.376 1.00 0.00 N ATOM 972 CA PRO A 64 7.796 -5.825 9.116 1.00 0.00 C ATOM 973 C PRO A 64 8.326 -4.857 10.168 1.00 0.00 C ATOM 974 O PRO A 64 9.430 -4.326 10.037 1.00 0.00 O ATOM 975 CB PRO A 64 7.716 -5.138 7.750 1.00 0.00 C ATOM 976 CG PRO A 64 6.311 -4.655 7.651 1.00 0.00 C ATOM 977 CD PRO A 64 5.474 -5.662 8.391 1.00 0.00 C ATOM 0 HA PRO A 64 8.478 -6.675 9.142 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.424 -4.312 7.680 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.954 -5.832 6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.207 -3.663 8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.998 -4.577 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.617 -5.194 8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.083 -6.429 7.722 1.00 0.00 H new ATOM 985 N ILE A 65 7.534 -4.631 11.211 1.00 0.00 N ATOM 986 CA ILE A 65 7.925 -3.728 12.286 1.00 0.00 C ATOM 987 C ILE A 65 8.171 -4.492 13.583 1.00 0.00 C ATOM 988 O ILE A 65 9.299 -4.562 14.071 1.00 0.00 O ATOM 989 CB ILE A 65 6.854 -2.650 12.533 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.533 -1.911 11.232 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.322 -1.673 13.601 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.591 -0.742 11.417 1.00 0.00 C ATOM 0 H ILE A 65 6.617 -5.061 11.334 1.00 0.00 H new ATOM 0 HA ILE A 65 8.850 -3.244 11.971 1.00 0.00 H new ATOM 0 HB ILE A 65 5.945 -3.137 12.886 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.462 -1.552 10.789 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.093 -2.613 10.524 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.554 -0.917 13.764 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.505 -2.211 14.531 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.243 -1.190 13.274 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.408 -0.266 10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.647 -1.097 11.831 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.038 -0.019 12.100 1.00 0.00 H new ATOM 1004 N CYS A 66 7.107 -5.064 14.136 1.00 0.00 N ATOM 1005 CA CYS A 66 7.205 -5.825 15.376 1.00 0.00 C ATOM 1006 C CYS A 66 7.179 -7.325 15.098 1.00 0.00 C ATOM 1007 O CYS A 66 6.844 -8.123 15.974 1.00 0.00 O ATOM 1008 CB CYS A 66 6.062 -5.450 16.321 1.00 0.00 C ATOM 1009 SG CYS A 66 4.402 -5.793 15.653 1.00 0.00 S ATOM 0 H CYS A 66 6.166 -5.015 13.745 1.00 0.00 H new ATOM 0 HA CYS A 66 8.155 -5.578 15.850 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.185 -5.995 17.257 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.134 -4.389 16.558 1.00 0.00 H new ATOM 0 HG CYS A 66 4.366 -5.472 14.394 1.00 0.00 H new ATOM 1014 N ARG A 67 7.533 -7.700 13.874 1.00 0.00 N ATOM 1015 CA ARG A 67 7.549 -9.104 13.480 1.00 0.00 C ATOM 1016 C ARG A 67 6.328 -9.837 14.028 1.00 0.00 C ATOM 1017 O ARG A 67 6.355 -11.052 14.217 1.00 0.00 O ATOM 1018 CB ARG A 67 8.829 -9.780 13.975 1.00 0.00 C ATOM 1019 CG ARG A 67 10.090 -9.267 13.301 1.00 0.00 C ATOM 1020 CD ARG A 67 10.360 -9.997 11.994 1.00 0.00 C ATOM 1021 NE ARG A 67 10.943 -11.317 12.215 1.00 0.00 N ATOM 1022 CZ ARG A 67 11.640 -11.976 11.296 1.00 0.00 C ATOM 1023 NH1 ARG A 67 11.838 -11.441 10.100 1.00 0.00 N ATOM 1024 NH2 ARG A 67 12.140 -13.174 11.573 1.00 0.00 N ATOM 0 H ARG A 67 7.813 -7.052 13.138 1.00 0.00 H new ATOM 0 HA ARG A 67 7.520 -9.150 12.391 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.916 -9.630 15.051 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.750 -10.854 13.808 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.992 -8.199 13.109 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.940 -9.394 13.972 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.428 -10.101 11.438 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.034 -9.401 11.379 1.00 0.00 H new ATOM 0 HE ARG A 67 10.808 -11.757 13.125 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.455 -10.521 9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.374 -11.949 9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.989 -13.589 12.492 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.675 -13.679 10.867 1.00 0.00 H new ATOM 1038 N ALA A 68 5.260 -9.088 14.281 1.00 0.00 N ATOM 1039 CA ALA A 68 4.029 -9.666 14.806 1.00 0.00 C ATOM 1040 C ALA A 68 3.332 -10.522 13.754 1.00 0.00 C ATOM 1041 O ALA A 68 3.835 -10.688 12.643 1.00 0.00 O ATOM 1042 CB ALA A 68 3.098 -8.568 15.298 1.00 0.00 C ATOM 0 H ALA A 68 5.222 -8.080 14.131 1.00 0.00 H new ATOM 0 HA ALA A 68 4.289 -10.310 15.646 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.183 -9.014 15.687 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.590 -8.001 16.088 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.853 -7.901 14.471 1.00 0.00 H new ATOM 1048 N ASP A 69 2.173 -11.063 14.111 1.00 0.00 N ATOM 1049 CA ASP A 69 1.406 -11.902 13.197 1.00 0.00 C ATOM 1050 C ASP A 69 0.103 -11.218 12.796 1.00 0.00 C ATOM 1051 O ASP A 69 -0.748 -10.938 13.639 1.00 0.00 O ATOM 1052 CB ASP A 69 1.108 -13.256 13.843 1.00 0.00 C ATOM 1053 CG ASP A 69 -0.282 -13.317 14.445 1.00 0.00 C ATOM 1054 OD1 ASP A 69 -1.249 -13.536 13.685 1.00 0.00 O ATOM 1055 OD2 ASP A 69 -0.403 -13.146 15.676 1.00 0.00 O ATOM 0 H ASP A 69 1.743 -10.936 15.027 1.00 0.00 H new ATOM 0 HA ASP A 69 2.004 -12.060 12.299 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.212 -14.043 13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.846 -13.455 14.620 1.00 0.00 H new ATOM 1060 N SER A 70 -0.045 -10.950 11.502 1.00 0.00 N ATOM 1061 CA SER A 70 -1.242 -10.295 10.989 1.00 0.00 C ATOM 1062 C SER A 70 -2.357 -11.308 10.752 1.00 0.00 C ATOM 1063 O SER A 70 -3.517 -11.059 11.078 1.00 0.00 O ATOM 1064 CB SER A 70 -0.925 -9.554 9.688 1.00 0.00 C ATOM 1065 OG SER A 70 0.284 -8.823 9.798 1.00 0.00 O ATOM 0 H SER A 70 0.650 -11.177 10.790 1.00 0.00 H new ATOM 0 HA SER A 70 -1.581 -9.576 11.735 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.848 -10.269 8.869 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.743 -8.876 9.444 1.00 0.00 H new ATOM 0 HG SER A 70 0.465 -8.360 8.953 1.00 0.00 H new