USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 307 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 31 THR OG1 : rot 150:sc= 1.42 USER MOD Set 1.2: A 33 CYS SG : rot -46:sc= 2.43 USER MOD Set 1.3: A 35 HIS : no HE2:sc= -5.56! C(o=-5.6!,f=-11!) USER MOD Set 1.4: A 53 CYS SG : rot 167:sc= -3.92! USER MOD Set 1.5: A 56 CYS SG : rot -27:sc= 0.0215 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -175:sc= -0.107 (180deg=-0.226) USER MOD Set 2.2: A 54 THR OG1 : rot -150:sc= -0.713 USER MOD Set 3.1: A 18 CYS SG : rot 154:sc= -0.79 USER MOD Set 3.2: A 21 CYS SG : rot -38:sc= -7.56! USER MOD Set 3.3: A 38 CYS SG : rot -136:sc= 1.07 USER MOD Set 3.4: A 41 CYS SG : rot 92:sc= -1.79 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-2.7!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -64:sc= 0.941 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc=-0.00319 K(o=-0.0032,f=-0.93) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 178:sc= -7.85! (180deg=-8.22!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -46:sc= 0.524 USER MOD Single : A 49 SER OG : rot -47:sc= 1.13 USER MOD Single : A 50 SER OG : rot -65:sc= 1.1 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.74! K(o=-1.7!,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.29) USER MOD Single : A 64 LYS NZ :NH3+ -134:sc= 0.0376 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 187 N TYR A 16 -14.178 8.072 1.930 1.00 0.00 N ATOM 188 CA TYR A 16 -13.535 7.222 2.926 1.00 0.00 C ATOM 189 C TYR A 16 -12.504 8.010 3.729 1.00 0.00 C ATOM 190 O TYR A 16 -12.167 9.143 3.388 1.00 0.00 O ATOM 191 CB TYR A 16 -12.864 6.026 2.249 1.00 0.00 C ATOM 192 CG TYR A 16 -13.760 5.307 1.265 1.00 0.00 C ATOM 193 CD1 TYR A 16 -13.888 5.756 -0.044 1.00 0.00 C ATOM 194 CD2 TYR A 16 -14.478 4.179 1.644 1.00 0.00 C ATOM 195 CE1 TYR A 16 -14.706 5.102 -0.945 1.00 0.00 C ATOM 196 CE2 TYR A 16 -15.297 3.519 0.749 1.00 0.00 C ATOM 197 CZ TYR A 16 -15.407 3.984 -0.545 1.00 0.00 C ATOM 198 OH TYR A 16 -16.222 3.330 -1.440 1.00 0.00 O ATOM 0 HA TYR A 16 -14.303 6.860 3.609 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.969 6.368 1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.539 5.321 3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -13.339 6.630 -0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -14.394 3.812 2.656 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.796 5.465 -1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.848 2.644 1.060 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.642 2.562 -0.999 1.00 0.00 H new ATOM 207 N LYS A 17 -12.007 7.400 4.800 1.00 0.00 N ATOM 208 CA LYS A 17 -11.013 8.040 5.653 1.00 0.00 C ATOM 209 C LYS A 17 -10.112 7.001 6.312 1.00 0.00 C ATOM 210 O LYS A 17 -10.573 5.936 6.724 1.00 0.00 O ATOM 211 CB LYS A 17 -11.702 8.888 6.726 1.00 0.00 C ATOM 212 CG LYS A 17 -10.840 9.134 7.952 1.00 0.00 C ATOM 213 CD LYS A 17 -11.335 8.341 9.150 1.00 0.00 C ATOM 214 CE LYS A 17 -12.248 9.178 10.033 1.00 0.00 C ATOM 215 NZ LYS A 17 -13.538 8.487 10.308 1.00 0.00 N ATOM 0 H LYS A 17 -12.277 6.462 5.098 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.396 8.686 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.985 9.847 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.623 8.392 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.808 8.859 7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.842 10.197 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.871 7.456 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.483 7.991 9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.744 9.395 10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.444 10.135 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.132 9.089 10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.031 8.303 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.353 7.586 10.793 1.00 0.00 H new ATOM 225 N CYS A 18 -8.825 7.318 6.411 1.00 0.00 N ATOM 226 CA CYS A 18 -7.859 6.412 7.021 1.00 0.00 C ATOM 227 C CYS A 18 -8.177 6.192 8.497 1.00 0.00 C ATOM 228 O CYS A 18 -8.547 7.125 9.209 1.00 0.00 O ATOM 229 CB CYS A 18 -6.442 6.970 6.872 1.00 0.00 C ATOM 230 SG CYS A 18 -5.172 6.025 7.773 1.00 0.00 S ATOM 0 H CYS A 18 -8.427 8.196 6.077 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.922 5.453 6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.181 6.992 5.814 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.430 8.001 7.224 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.019 6.186 7.194 1.00 0.00 H new ATOM 234 N GLU A 19 -8.032 4.950 8.948 1.00 0.00 N ATOM 235 CA GLU A 19 -8.304 4.606 10.339 1.00 0.00 C ATOM 236 C GLU A 19 -7.090 4.892 11.219 1.00 0.00 C ATOM 237 O GLU A 19 -6.922 4.289 12.278 1.00 0.00 O ATOM 238 CB GLU A 19 -8.698 3.132 10.455 1.00 0.00 C ATOM 239 CG GLU A 19 -10.198 2.898 10.426 1.00 0.00 C ATOM 240 CD GLU A 19 -10.959 3.877 11.299 1.00 0.00 C ATOM 241 OE1 GLU A 19 -10.393 4.326 12.318 1.00 0.00 O ATOM 242 OE2 GLU A 19 -12.120 4.193 10.964 1.00 0.00 O ATOM 0 H GLU A 19 -7.728 4.166 8.371 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.133 5.224 10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.236 2.576 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.294 2.729 11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.555 2.980 9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.410 1.881 10.757 1.00 0.00 H new ATOM 247 N LYS A 20 -6.247 5.815 10.770 1.00 0.00 N ATOM 248 CA LYS A 20 -5.048 6.182 11.514 1.00 0.00 C ATOM 249 C LYS A 20 -4.930 7.697 11.642 1.00 0.00 C ATOM 250 O LYS A 20 -4.986 8.244 12.745 1.00 0.00 O ATOM 251 CB LYS A 20 -3.802 5.619 10.825 1.00 0.00 C ATOM 252 CG LYS A 20 -2.968 4.717 11.717 1.00 0.00 C ATOM 253 CD LYS A 20 -2.103 3.771 10.902 1.00 0.00 C ATOM 254 CE LYS A 20 -1.492 2.684 11.772 1.00 0.00 C ATOM 255 NZ LYS A 20 -0.861 3.244 13.000 1.00 0.00 N ATOM 0 H LYS A 20 -6.372 6.323 9.894 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.127 5.755 12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.108 5.059 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.183 6.447 10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.334 5.326 12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.625 4.141 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.703 3.314 10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.309 4.334 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.264 1.969 12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.745 2.136 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.383 2.483 13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.166 3.970 12.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.593 3.671 13.603 1.00 0.00 H new ATOM 265 N CYS A 21 -4.768 8.372 10.508 1.00 0.00 N ATOM 266 CA CYS A 21 -4.645 9.824 10.493 1.00 0.00 C ATOM 267 C CYS A 21 -5.973 10.480 10.125 1.00 0.00 C ATOM 268 O CYS A 21 -6.062 11.703 10.007 1.00 0.00 O ATOM 269 CB CYS A 21 -3.560 10.254 9.503 1.00 0.00 C ATOM 270 SG CYS A 21 -3.718 9.499 7.853 1.00 0.00 S ATOM 0 H CYS A 21 -4.719 7.935 9.587 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.365 10.150 11.495 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.588 11.339 9.399 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.584 9.998 9.916 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.108 8.265 7.976 1.00 0.00 H new ATOM 274 N HIS A 22 -7.003 9.659 9.946 1.00 0.00 N ATOM 275 CA HIS A 22 -8.326 10.158 9.594 1.00 0.00 C ATOM 276 C HIS A 22 -8.283 10.932 8.280 1.00 0.00 C ATOM 277 O HIS A 22 -9.092 11.832 8.049 1.00 0.00 O ATOM 278 CB HIS A 22 -8.871 11.052 10.708 1.00 0.00 C ATOM 279 CG HIS A 22 -8.012 11.070 11.934 1.00 0.00 C ATOM 280 ND1 HIS A 22 -7.560 12.235 12.519 1.00 0.00 N ATOM 281 CD2 HIS A 22 -7.524 10.059 12.689 1.00 0.00 C ATOM 282 CE1 HIS A 22 -6.829 11.938 13.578 1.00 0.00 C ATOM 283 NE2 HIS A 22 -6.793 10.624 13.704 1.00 0.00 N ATOM 0 H HIS A 22 -6.946 8.645 10.039 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.988 9.301 9.469 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.972 12.069 10.330 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.871 10.712 10.979 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.681 9.003 12.524 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.343 12.649 14.230 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.302 10.112 14.437 1.00 0.00 H new ATOM 290 N LEU A 23 -7.331 10.580 7.422 1.00 0.00 N ATOM 291 CA LEU A 23 -7.181 11.242 6.131 1.00 0.00 C ATOM 292 C LEU A 23 -8.306 10.845 5.181 1.00 0.00 C ATOM 293 O LEU A 23 -8.456 9.672 4.836 1.00 0.00 O ATOM 294 CB LEU A 23 -5.826 10.893 5.512 1.00 0.00 C ATOM 295 CG LEU A 23 -4.741 11.964 5.621 1.00 0.00 C ATOM 296 CD1 LEU A 23 -3.359 11.338 5.512 1.00 0.00 C ATOM 297 CD2 LEU A 23 -4.932 13.028 4.551 1.00 0.00 C ATOM 0 H LEU A 23 -6.652 9.840 7.597 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.232 12.319 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.458 9.982 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.979 10.666 4.457 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.825 12.440 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.600 12.116 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.223 10.614 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.263 10.834 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.150 13.782 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.876 12.567 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.907 13.499 4.676 1.00 0.00 H new ATOM 308 N VAL A 24 -9.092 11.829 4.759 1.00 0.00 N ATOM 309 CA VAL A 24 -10.202 11.584 3.845 1.00 0.00 C ATOM 310 C VAL A 24 -9.697 11.214 2.455 1.00 0.00 C ATOM 311 O VAL A 24 -9.080 12.030 1.769 1.00 0.00 O ATOM 312 CB VAL A 24 -11.121 12.814 3.735 1.00 0.00 C ATOM 313 CG1 VAL A 24 -12.012 12.706 2.507 1.00 0.00 C ATOM 314 CG2 VAL A 24 -11.957 12.969 4.998 1.00 0.00 C ATOM 0 H VAL A 24 -8.981 12.805 5.035 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.772 10.750 4.255 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.499 13.702 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.655 13.584 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.393 12.646 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.628 11.810 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.601 13.843 4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.571 12.080 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.298 13.095 5.857 1.00 0.00 H new ATOM 324 N LEU A 25 -9.963 9.980 2.044 1.00 0.00 N ATOM 325 CA LEU A 25 -9.537 9.500 0.734 1.00 0.00 C ATOM 326 C LEU A 25 -10.730 9.017 -0.084 1.00 0.00 C ATOM 327 O LEU A 25 -11.837 8.877 0.436 1.00 0.00 O ATOM 328 CB LEU A 25 -8.518 8.369 0.888 1.00 0.00 C ATOM 329 CG LEU A 25 -8.188 7.956 2.324 1.00 0.00 C ATOM 330 CD1 LEU A 25 -7.871 6.469 2.391 1.00 0.00 C ATOM 331 CD2 LEU A 25 -7.025 8.775 2.861 1.00 0.00 C ATOM 0 H LEU A 25 -10.472 9.292 2.599 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.070 10.331 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.892 7.494 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.593 8.670 0.396 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.061 8.150 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.639 6.193 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.733 5.897 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.014 6.251 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.805 8.467 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.147 8.613 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.289 9.833 2.849 1.00 0.00 H new ATOM 342 N CYS A 26 -10.497 8.759 -1.367 1.00 0.00 N ATOM 343 CA CYS A 26 -11.550 8.289 -2.258 1.00 0.00 C ATOM 344 C CYS A 26 -11.412 6.792 -2.522 1.00 0.00 C ATOM 345 O CYS A 26 -12.405 6.088 -2.700 1.00 0.00 O ATOM 346 CB CYS A 26 -11.509 9.057 -3.580 1.00 0.00 C ATOM 347 SG CYS A 26 -12.637 10.487 -3.645 1.00 0.00 S ATOM 0 H CYS A 26 -9.586 8.868 -1.813 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.509 8.467 -1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.490 9.403 -3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.758 8.374 -4.392 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.529 11.073 -4.800 1.00 0.00 H new ATOM 351 N SER A 27 -10.172 6.313 -2.543 1.00 0.00 N ATOM 352 CA SER A 27 -9.903 4.900 -2.788 1.00 0.00 C ATOM 353 C SER A 27 -8.913 4.351 -1.766 1.00 0.00 C ATOM 354 O SER A 27 -7.725 4.183 -2.041 1.00 0.00 O ATOM 355 CB SER A 27 -9.355 4.703 -4.203 1.00 0.00 C ATOM 356 OG SER A 27 -8.647 3.480 -4.309 1.00 0.00 O ATOM 0 H SER A 27 -9.339 6.882 -2.394 1.00 0.00 H new ATOM 0 HA SER A 27 -10.841 4.353 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.176 4.715 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.696 5.532 -4.460 1.00 0.00 H new ATOM 0 HG SER A 27 -7.856 3.509 -3.731 1.00 0.00 H new ATOM 361 N PRO A 28 -9.413 4.064 -0.555 1.00 0.00 N ATOM 362 CA PRO A 28 -8.591 3.528 0.534 1.00 0.00 C ATOM 363 C PRO A 28 -8.142 2.094 0.272 1.00 0.00 C ATOM 364 O PRO A 28 -8.208 1.610 -0.859 1.00 0.00 O ATOM 365 CB PRO A 28 -9.527 3.582 1.745 1.00 0.00 C ATOM 366 CG PRO A 28 -10.899 3.526 1.166 1.00 0.00 C ATOM 367 CD PRO A 28 -10.820 4.238 -0.156 1.00 0.00 C ATOM 0 HA PRO A 28 -7.669 4.095 0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.348 2.746 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.377 4.495 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.225 2.494 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.621 4.007 1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.502 3.804 -0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.083 5.291 -0.061 1.00 0.00 H new ATOM 372 N LYS A 29 -7.687 1.420 1.321 1.00 0.00 N ATOM 373 CA LYS A 29 -7.229 0.040 1.205 1.00 0.00 C ATOM 374 C LYS A 29 -7.967 -0.863 2.188 1.00 0.00 C ATOM 375 O LYS A 29 -7.347 -1.525 3.020 1.00 0.00 O ATOM 376 CB LYS A 29 -5.721 -0.041 1.454 1.00 0.00 C ATOM 377 CG LYS A 29 -4.939 1.101 0.828 1.00 0.00 C ATOM 378 CD LYS A 29 -5.152 1.163 -0.676 1.00 0.00 C ATOM 379 CE LYS A 29 -3.895 1.623 -1.399 1.00 0.00 C ATOM 380 NZ LYS A 29 -4.206 2.214 -2.730 1.00 0.00 N ATOM 0 H LYS A 29 -7.625 1.807 2.263 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.443 -0.304 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.539 -0.049 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.346 -0.986 1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.246 2.044 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.877 0.977 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.445 0.180 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.972 1.845 -0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.373 2.359 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.219 0.777 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.324 2.515 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.681 1.504 -3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.831 3.036 -2.607 1.00 0.00 H new ATOM 390 N GLN A 30 -9.291 -0.885 2.086 1.00 0.00 N ATOM 391 CA GLN A 30 -10.112 -1.708 2.966 1.00 0.00 C ATOM 392 C GLN A 30 -9.452 -3.059 3.219 1.00 0.00 C ATOM 393 O GLN A 30 -9.396 -3.911 2.332 1.00 0.00 O ATOM 394 CB GLN A 30 -11.502 -1.911 2.360 1.00 0.00 C ATOM 395 CG GLN A 30 -12.605 -2.044 3.398 1.00 0.00 C ATOM 396 CD GLN A 30 -13.962 -2.308 2.776 1.00 0.00 C ATOM 397 OE1 GLN A 30 -14.058 -2.799 1.651 1.00 0.00 O ATOM 398 NE2 GLN A 30 -15.022 -1.984 3.508 1.00 0.00 N ATOM 0 H GLN A 30 -9.819 -0.342 1.403 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.212 -1.189 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.730 -1.070 1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.491 -2.806 1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.359 -2.856 4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.653 -1.131 3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.897 -1.579 4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.961 -2.140 3.142 1.00 0.00 H new ATOM 405 N THR A 31 -8.952 -3.248 4.437 1.00 0.00 N ATOM 406 CA THR A 31 -8.294 -4.495 4.807 1.00 0.00 C ATOM 407 C THR A 31 -9.265 -5.669 4.741 1.00 0.00 C ATOM 408 O THR A 31 -10.339 -5.565 4.151 1.00 0.00 O ATOM 409 CB THR A 31 -7.697 -4.416 6.224 1.00 0.00 C ATOM 410 OG1 THR A 31 -8.745 -4.446 7.200 1.00 0.00 O ATOM 411 CG2 THR A 31 -6.874 -3.148 6.395 1.00 0.00 C ATOM 0 H THR A 31 -8.990 -2.554 5.183 1.00 0.00 H new ATOM 0 HA THR A 31 -7.488 -4.653 4.090 1.00 0.00 H new ATOM 0 HB THR A 31 -7.043 -5.276 6.367 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.414 -4.863 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.463 -3.115 7.404 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.060 -3.142 5.671 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.509 -2.277 6.233 1.00 0.00 H new ATOM 419 N GLU A 32 -8.879 -6.785 5.351 1.00 0.00 N ATOM 420 CA GLU A 32 -9.716 -7.979 5.360 1.00 0.00 C ATOM 421 C GLU A 32 -10.636 -7.989 6.577 1.00 0.00 C ATOM 422 O GLU A 32 -11.237 -9.011 6.907 1.00 0.00 O ATOM 423 CB GLU A 32 -8.847 -9.239 5.355 1.00 0.00 C ATOM 424 CG GLU A 32 -9.364 -10.330 4.433 1.00 0.00 C ATOM 425 CD GLU A 32 -9.020 -11.722 4.927 1.00 0.00 C ATOM 426 OE1 GLU A 32 -8.335 -11.831 5.966 1.00 0.00 O ATOM 427 OE2 GLU A 32 -9.437 -12.703 4.275 1.00 0.00 O ATOM 0 H GLU A 32 -7.993 -6.887 5.845 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.331 -7.967 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.834 -8.971 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.785 -9.632 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.446 -10.239 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.945 -10.188 3.437 1.00 0.00 H new ATOM 432 N CYS A 33 -10.741 -6.842 7.241 1.00 0.00 N ATOM 433 CA CYS A 33 -11.587 -6.715 8.421 1.00 0.00 C ATOM 434 C CYS A 33 -12.714 -5.717 8.179 1.00 0.00 C ATOM 435 O CYS A 33 -13.801 -5.843 8.740 1.00 0.00 O ATOM 436 CB CYS A 33 -10.752 -6.279 9.628 1.00 0.00 C ATOM 437 SG CYS A 33 -10.275 -4.520 9.603 1.00 0.00 S ATOM 0 H CYS A 33 -10.250 -5.987 6.981 1.00 0.00 H new ATOM 0 HA CYS A 33 -12.029 -7.690 8.627 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.317 -6.479 10.539 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.850 -6.889 9.672 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.832 -4.207 8.421 1.00 0.00 H new ATOM 441 N GLY A 34 -12.446 -4.722 7.338 1.00 0.00 N ATOM 442 CA GLY A 34 -13.446 -3.715 7.036 1.00 0.00 C ATOM 443 C GLY A 34 -12.883 -2.308 7.076 1.00 0.00 C ATOM 444 O GLY A 34 -13.091 -1.522 6.151 1.00 0.00 O ATOM 0 H GLY A 34 -11.554 -4.596 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.864 -3.908 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.265 -3.796 7.750 1.00 0.00 H new ATOM 448 N HIS A 35 -12.170 -1.988 8.150 1.00 0.00 N ATOM 449 CA HIS A 35 -11.575 -0.664 8.307 1.00 0.00 C ATOM 450 C HIS A 35 -10.798 -0.267 7.057 1.00 0.00 C ATOM 451 O HIS A 35 -10.560 -1.090 6.174 1.00 0.00 O ATOM 452 CB HIS A 35 -10.653 -0.637 9.527 1.00 0.00 C ATOM 453 CG HIS A 35 -11.373 -0.830 10.826 1.00 0.00 C ATOM 454 ND1 HIS A 35 -11.424 -2.040 11.486 1.00 0.00 N ATOM 455 CD2 HIS A 35 -12.070 0.043 11.589 1.00 0.00 C ATOM 456 CE1 HIS A 35 -12.124 -1.903 12.597 1.00 0.00 C ATOM 457 NE2 HIS A 35 -12.527 -0.648 12.685 1.00 0.00 N ATOM 0 H HIS A 35 -11.989 -2.626 8.925 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.381 0.055 8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.899 -1.417 9.420 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.125 0.316 9.552 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -10.989 -2.905 11.166 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.236 1.089 11.376 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.332 -2.685 13.313 1.00 0.00 H new ATOM 464 N ARG A 36 -10.405 1.002 6.989 1.00 0.00 N ATOM 465 CA ARG A 36 -9.656 1.509 5.846 1.00 0.00 C ATOM 466 C ARG A 36 -8.472 2.356 6.304 1.00 0.00 C ATOM 467 O ARG A 36 -8.466 2.882 7.417 1.00 0.00 O ATOM 468 CB ARG A 36 -10.568 2.336 4.938 1.00 0.00 C ATOM 469 CG ARG A 36 -11.502 1.495 4.084 1.00 0.00 C ATOM 470 CD ARG A 36 -12.871 2.145 3.949 1.00 0.00 C ATOM 471 NE ARG A 36 -13.936 1.288 4.462 1.00 0.00 N ATOM 472 CZ ARG A 36 -15.105 1.748 4.895 1.00 0.00 C ATOM 473 NH1 ARG A 36 -15.357 3.049 4.875 1.00 0.00 N ATOM 474 NH2 ARG A 36 -16.025 0.905 5.347 1.00 0.00 N ATOM 0 H ARG A 36 -10.593 1.697 7.712 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.274 0.655 5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.162 3.012 5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.952 2.956 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.065 1.355 3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.610 0.505 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.877 3.093 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.062 2.373 2.900 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.774 0.281 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.653 3.700 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.255 3.400 5.208 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.835 -0.097 5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.922 1.259 5.679 1.00 0.00 H new ATOM 485 N PHE A 37 -7.472 2.483 5.439 1.00 0.00 N ATOM 486 CA PHE A 37 -6.283 3.266 5.755 1.00 0.00 C ATOM 487 C PHE A 37 -5.758 3.983 4.515 1.00 0.00 C ATOM 488 O PHE A 37 -6.236 3.757 3.402 1.00 0.00 O ATOM 489 CB PHE A 37 -5.192 2.362 6.335 1.00 0.00 C ATOM 490 CG PHE A 37 -5.430 1.980 7.768 1.00 0.00 C ATOM 491 CD1 PHE A 37 -6.256 0.915 8.087 1.00 0.00 C ATOM 492 CD2 PHE A 37 -4.828 2.688 8.797 1.00 0.00 C ATOM 493 CE1 PHE A 37 -6.477 0.561 9.405 1.00 0.00 C ATOM 494 CE2 PHE A 37 -5.046 2.338 10.116 1.00 0.00 C ATOM 495 CZ PHE A 37 -5.871 1.275 10.421 1.00 0.00 C ATOM 0 H PHE A 37 -7.461 2.054 4.514 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.558 4.016 6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.123 1.456 5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.231 2.870 6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.733 0.354 7.297 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.182 3.522 8.565 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.122 -0.272 9.640 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.570 2.897 10.908 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.043 1.002 11.452 1.00 0.00 H new ATOM 504 N CYS A 38 -4.770 4.850 4.713 1.00 0.00 N ATOM 505 CA CYS A 38 -4.180 5.603 3.613 1.00 0.00 C ATOM 506 C CYS A 38 -2.901 4.931 3.120 1.00 0.00 C ATOM 507 O CYS A 38 -2.382 4.018 3.761 1.00 0.00 O ATOM 508 CB CYS A 38 -3.879 7.037 4.052 1.00 0.00 C ATOM 509 SG CYS A 38 -2.535 7.175 5.272 1.00 0.00 S ATOM 0 H CYS A 38 -4.361 5.048 5.626 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.898 5.625 2.793 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.619 7.628 3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.784 7.474 4.474 1.00 0.00 H new ATOM 0 HG CYS A 38 -2.883 8.007 6.208 1.00 0.00 H new ATOM 513 N GLU A 39 -2.400 5.392 1.978 1.00 0.00 N ATOM 514 CA GLU A 39 -1.183 4.836 1.399 1.00 0.00 C ATOM 515 C GLU A 39 -0.090 4.702 2.456 1.00 0.00 C ATOM 516 O GLU A 39 0.367 3.599 2.756 1.00 0.00 O ATOM 517 CB GLU A 39 -0.691 5.715 0.248 1.00 0.00 C ATOM 518 CG GLU A 39 -1.083 5.197 -1.126 1.00 0.00 C ATOM 519 CD GLU A 39 -0.159 5.692 -2.221 1.00 0.00 C ATOM 520 OE1 GLU A 39 0.890 5.052 -2.446 1.00 0.00 O ATOM 521 OE2 GLU A 39 -0.484 6.718 -2.853 1.00 0.00 O ATOM 0 H GLU A 39 -2.818 6.148 1.436 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.415 3.843 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.090 6.721 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.395 5.794 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.076 4.107 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.104 5.507 -1.349 1.00 0.00 H new ATOM 526 N SER A 40 0.325 5.834 3.015 1.00 0.00 N ATOM 527 CA SER A 40 1.367 5.845 4.035 1.00 0.00 C ATOM 528 C SER A 40 1.079 4.811 5.118 1.00 0.00 C ATOM 529 O SER A 40 1.601 3.696 5.084 1.00 0.00 O ATOM 530 CB SER A 40 1.484 7.237 4.660 1.00 0.00 C ATOM 531 OG SER A 40 2.487 8.003 4.016 1.00 0.00 O ATOM 0 H SER A 40 -0.044 6.755 2.779 1.00 0.00 H new ATOM 0 HA SER A 40 2.312 5.589 3.556 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.526 7.753 4.589 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.718 7.144 5.721 1.00 0.00 H new ATOM 0 HG SER A 40 2.541 8.888 4.433 1.00 0.00 H new ATOM 536 N CYS A 41 0.243 5.188 6.080 1.00 0.00 N ATOM 537 CA CYS A 41 -0.117 4.296 7.175 1.00 0.00 C ATOM 538 C CYS A 41 -0.178 2.847 6.698 1.00 0.00 C ATOM 539 O CYS A 41 0.404 1.955 7.315 1.00 0.00 O ATOM 540 CB CYS A 41 -1.464 4.705 7.773 1.00 0.00 C ATOM 541 SG CYS A 41 -1.459 6.346 8.562 1.00 0.00 S ATOM 0 H CYS A 41 -0.198 6.107 6.123 1.00 0.00 H new ATOM 0 HA CYS A 41 0.652 4.376 7.943 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.217 4.695 6.985 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.763 3.960 8.510 1.00 0.00 H new ATOM 0 HG CYS A 41 -1.812 7.246 7.693 1.00 0.00 H new ATOM 545 N MET A 42 -0.887 2.622 5.597 1.00 0.00 N ATOM 546 CA MET A 42 -1.023 1.282 5.037 1.00 0.00 C ATOM 547 C MET A 42 0.343 0.630 4.852 1.00 0.00 C ATOM 548 O MET A 42 0.575 -0.487 5.314 1.00 0.00 O ATOM 549 CB MET A 42 -1.761 1.339 3.697 1.00 0.00 C ATOM 550 CG MET A 42 -1.767 0.015 2.951 1.00 0.00 C ATOM 551 SD MET A 42 -3.243 -0.964 3.286 1.00 0.00 S ATOM 552 CE MET A 42 -3.442 -0.686 5.044 1.00 0.00 C ATOM 0 H MET A 42 -1.376 3.349 5.075 1.00 0.00 H new ATOM 0 HA MET A 42 -1.602 0.679 5.737 1.00 0.00 H new ATOM 0 HB2 MET A 42 -2.790 1.653 3.871 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.298 2.099 3.068 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.697 0.206 1.880 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.884 -0.559 3.231 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.337 -1.200 5.395 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.571 -1.072 5.574 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.539 0.383 5.235 1.00 0.00 H new ATOM 560 N ALA A 43 1.243 1.333 4.172 1.00 0.00 N ATOM 561 CA ALA A 43 2.585 0.821 3.928 1.00 0.00 C ATOM 562 C ALA A 43 3.369 0.692 5.230 1.00 0.00 C ATOM 563 O ALA A 43 4.331 -0.071 5.313 1.00 0.00 O ATOM 564 CB ALA A 43 3.325 1.725 2.952 1.00 0.00 C ATOM 0 H ALA A 43 1.067 2.258 3.781 1.00 0.00 H new ATOM 0 HA ALA A 43 2.494 -0.173 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.326 1.331 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.782 1.763 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.398 2.729 3.370 1.00 0.00 H new ATOM 570 N ALA A 44 2.952 1.443 6.244 1.00 0.00 N ATOM 571 CA ALA A 44 3.613 1.411 7.542 1.00 0.00 C ATOM 572 C ALA A 44 3.263 0.139 8.305 1.00 0.00 C ATOM 573 O ALA A 44 4.139 -0.524 8.862 1.00 0.00 O ATOM 574 CB ALA A 44 3.237 2.639 8.357 1.00 0.00 C ATOM 0 H ALA A 44 2.158 2.082 6.191 1.00 0.00 H new ATOM 0 HA ALA A 44 4.690 1.417 7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.738 2.601 9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.545 3.538 7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.158 2.659 8.508 1.00 0.00 H new ATOM 580 N LEU A 45 1.979 -0.197 8.329 1.00 0.00 N ATOM 581 CA LEU A 45 1.512 -1.390 9.026 1.00 0.00 C ATOM 582 C LEU A 45 2.067 -2.653 8.375 1.00 0.00 C ATOM 583 O LEU A 45 2.502 -3.578 9.062 1.00 0.00 O ATOM 584 CB LEU A 45 -0.018 -1.436 9.031 1.00 0.00 C ATOM 585 CG LEU A 45 -0.722 -0.265 9.717 1.00 0.00 C ATOM 586 CD1 LEU A 45 -2.223 -0.335 9.482 1.00 0.00 C ATOM 587 CD2 LEU A 45 -0.412 -0.254 11.207 1.00 0.00 C ATOM 0 H LEU A 45 1.241 0.340 7.873 1.00 0.00 H new ATOM 0 HA LEU A 45 1.872 -1.344 10.054 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.363 -1.487 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.332 -2.359 9.518 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.350 0.663 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.708 0.506 9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.426 -0.292 8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.612 -1.269 9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.922 0.586 11.678 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.755 -1.185 11.657 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.663 -0.155 11.354 1.00 0.00 H new ATOM 598 N LEU A 46 2.053 -2.684 7.047 1.00 0.00 N ATOM 599 CA LEU A 46 2.558 -3.832 6.303 1.00 0.00 C ATOM 600 C LEU A 46 4.013 -4.117 6.662 1.00 0.00 C ATOM 601 O LEU A 46 4.488 -5.242 6.519 1.00 0.00 O ATOM 602 CB LEU A 46 2.431 -3.586 4.799 1.00 0.00 C ATOM 603 CG LEU A 46 1.010 -3.383 4.270 1.00 0.00 C ATOM 604 CD1 LEU A 46 1.042 -2.790 2.869 1.00 0.00 C ATOM 605 CD2 LEU A 46 0.245 -4.698 4.277 1.00 0.00 C ATOM 0 H LEU A 46 1.697 -1.927 6.463 1.00 0.00 H new ATOM 0 HA LEU A 46 1.959 -4.701 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.021 -2.706 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.876 -4.431 4.274 1.00 0.00 H new ATOM 0 HG LEU A 46 0.495 -2.683 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.022 -2.653 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.551 -1.827 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.575 -3.466 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.764 -4.534 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.758 -5.421 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.191 -5.082 5.296 1.00 0.00 H new ATOM 616 N SER A 47 4.713 -3.088 7.129 1.00 0.00 N ATOM 617 CA SER A 47 6.115 -3.227 7.508 1.00 0.00 C ATOM 618 C SER A 47 6.252 -3.453 9.010 1.00 0.00 C ATOM 619 O SER A 47 7.252 -3.072 9.618 1.00 0.00 O ATOM 620 CB SER A 47 6.902 -1.982 7.094 1.00 0.00 C ATOM 621 OG SER A 47 8.174 -2.333 6.575 1.00 0.00 O ATOM 0 H SER A 47 4.333 -2.150 7.254 1.00 0.00 H new ATOM 0 HA SER A 47 6.522 -4.095 6.989 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.340 -1.425 6.344 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.025 -1.323 7.954 1.00 0.00 H new ATOM 0 HG SER A 47 8.657 -1.521 6.316 1.00 0.00 H new ATOM 626 N SER A 48 5.239 -4.078 9.603 1.00 0.00 N ATOM 627 CA SER A 48 5.244 -4.353 11.036 1.00 0.00 C ATOM 628 C SER A 48 5.430 -5.843 11.302 1.00 0.00 C ATOM 629 O SER A 48 5.034 -6.352 12.351 1.00 0.00 O ATOM 630 CB SER A 48 3.941 -3.868 11.674 1.00 0.00 C ATOM 631 OG SER A 48 4.017 -3.915 13.087 1.00 0.00 O ATOM 0 H SER A 48 4.405 -4.403 9.114 1.00 0.00 H new ATOM 0 HA SER A 48 6.081 -3.815 11.482 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.732 -2.848 11.352 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.112 -4.487 11.331 1.00 0.00 H new ATOM 0 HG SER A 48 4.395 -4.775 13.366 1.00 0.00 H new ATOM 636 N SER A 49 6.037 -6.538 10.345 1.00 0.00 N ATOM 637 CA SER A 49 6.273 -7.971 10.474 1.00 0.00 C ATOM 638 C SER A 49 5.024 -8.684 10.984 1.00 0.00 C ATOM 639 O SER A 49 5.103 -9.786 11.526 1.00 0.00 O ATOM 640 CB SER A 49 7.447 -8.234 11.419 1.00 0.00 C ATOM 641 OG SER A 49 7.691 -9.622 11.556 1.00 0.00 O ATOM 0 H SER A 49 6.374 -6.132 9.472 1.00 0.00 H new ATOM 0 HA SER A 49 6.516 -8.364 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.341 -7.740 11.039 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.235 -7.801 12.396 1.00 0.00 H new ATOM 0 HG SER A 49 6.844 -10.089 11.716 1.00 0.00 H new ATOM 646 N SER A 50 3.873 -8.046 10.806 1.00 0.00 N ATOM 647 CA SER A 50 2.606 -8.615 11.252 1.00 0.00 C ATOM 648 C SER A 50 1.499 -7.566 11.226 1.00 0.00 C ATOM 649 O SER A 50 0.950 -7.180 12.260 1.00 0.00 O ATOM 650 CB SER A 50 2.750 -9.188 12.664 1.00 0.00 C ATOM 651 OG SER A 50 1.484 -9.338 13.284 1.00 0.00 O ATOM 0 H SER A 50 3.791 -7.134 10.356 1.00 0.00 H new ATOM 0 HA SER A 50 2.335 -9.419 10.567 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.253 -10.154 12.619 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.377 -8.530 13.265 1.00 0.00 H new ATOM 0 HG SER A 50 1.075 -8.456 13.409 1.00 0.00 H new ATOM 656 N PRO A 51 1.162 -7.093 10.018 1.00 0.00 N ATOM 657 CA PRO A 51 0.118 -6.082 9.827 1.00 0.00 C ATOM 658 C PRO A 51 -1.277 -6.629 10.110 1.00 0.00 C ATOM 659 O PRO A 51 -1.707 -7.608 9.500 1.00 0.00 O ATOM 660 CB PRO A 51 0.254 -5.705 8.350 1.00 0.00 C ATOM 661 CG PRO A 51 0.868 -6.901 7.709 1.00 0.00 C ATOM 662 CD PRO A 51 1.774 -7.507 8.745 1.00 0.00 C ATOM 0 HA PRO A 51 0.237 -5.240 10.509 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.716 -5.474 7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.880 -4.822 8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.103 -7.612 7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.428 -6.621 6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.818 -8.592 8.655 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.795 -7.138 8.651 1.00 0.00 H new ATOM 667 N LYS A 52 -1.981 -5.991 11.040 1.00 0.00 N ATOM 668 CA LYS A 52 -3.329 -6.412 11.402 1.00 0.00 C ATOM 669 C LYS A 52 -4.350 -5.338 11.041 1.00 0.00 C ATOM 670 O LYS A 52 -5.145 -5.508 10.116 1.00 0.00 O ATOM 671 CB LYS A 52 -3.403 -6.720 12.899 1.00 0.00 C ATOM 672 CG LYS A 52 -2.134 -7.341 13.456 1.00 0.00 C ATOM 673 CD LYS A 52 -1.545 -6.498 14.574 1.00 0.00 C ATOM 674 CE LYS A 52 -0.351 -7.185 15.220 1.00 0.00 C ATOM 675 NZ LYS A 52 -0.296 -6.938 16.687 1.00 0.00 N ATOM 0 H LYS A 52 -1.640 -5.180 11.556 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.565 -7.315 10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.614 -5.798 13.441 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.239 -7.396 13.081 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.351 -8.342 13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.401 -7.451 12.657 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.239 -5.530 14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.308 -6.307 15.328 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.405 -8.258 15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.568 -6.827 14.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.531 -7.423 17.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.219 -5.916 16.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.162 -7.302 17.133 1.00 0.00 H new ATOM 685 N CYS A 53 -4.323 -4.232 11.777 1.00 0.00 N ATOM 686 CA CYS A 53 -5.245 -3.129 11.535 1.00 0.00 C ATOM 687 C CYS A 53 -5.373 -2.245 12.772 1.00 0.00 C ATOM 688 O CYS A 53 -6.125 -2.555 13.697 1.00 0.00 O ATOM 689 CB CYS A 53 -6.620 -3.665 11.134 1.00 0.00 C ATOM 690 SG CYS A 53 -7.990 -2.504 11.441 1.00 0.00 S ATOM 0 H CYS A 53 -3.672 -4.076 12.547 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.845 -2.527 10.719 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.604 -3.919 10.074 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.811 -4.589 11.680 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.055 -2.916 10.820 1.00 0.00 H new ATOM 694 N THR A 54 -4.633 -1.141 12.783 1.00 0.00 N ATOM 695 CA THR A 54 -4.662 -0.212 13.906 1.00 0.00 C ATOM 696 C THR A 54 -6.043 -0.170 14.549 1.00 0.00 C ATOM 697 O THR A 54 -6.170 -0.200 15.772 1.00 0.00 O ATOM 698 CB THR A 54 -4.268 1.212 13.467 1.00 0.00 C ATOM 699 OG1 THR A 54 -3.065 1.614 14.132 1.00 0.00 O ATOM 700 CG2 THR A 54 -5.381 2.202 13.780 1.00 0.00 C ATOM 0 H THR A 54 -4.006 -0.868 12.026 1.00 0.00 H new ATOM 0 HA THR A 54 -3.936 -0.573 14.635 1.00 0.00 H new ATOM 0 HB THR A 54 -4.102 1.204 12.390 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.066 2.587 14.251 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.080 3.200 13.461 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.288 1.910 13.250 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.573 2.206 14.853 1.00 0.00 H new ATOM 708 N ALA A 55 -7.077 -0.100 13.715 1.00 0.00 N ATOM 709 CA ALA A 55 -8.449 -0.056 14.204 1.00 0.00 C ATOM 710 C ALA A 55 -8.708 -1.166 15.217 1.00 0.00 C ATOM 711 O ALA A 55 -8.710 -0.929 16.425 1.00 0.00 O ATOM 712 CB ALA A 55 -9.426 -0.162 13.041 1.00 0.00 C ATOM 0 H ALA A 55 -6.990 -0.073 12.699 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.599 0.900 14.706 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.448 -0.128 13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.266 0.669 12.354 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.265 -1.103 12.515 1.00 0.00 H new ATOM 718 N CYS A 56 -8.926 -2.378 14.717 1.00 0.00 N ATOM 719 CA CYS A 56 -9.186 -3.525 15.578 1.00 0.00 C ATOM 720 C CYS A 56 -8.028 -4.516 15.529 1.00 0.00 C ATOM 721 O CYS A 56 -7.766 -5.229 16.497 1.00 0.00 O ATOM 722 CB CYS A 56 -10.484 -4.220 15.159 1.00 0.00 C ATOM 723 SG CYS A 56 -10.471 -4.851 13.451 1.00 0.00 S ATOM 0 H CYS A 56 -8.928 -2.591 13.719 1.00 0.00 H new ATOM 0 HA CYS A 56 -9.289 -3.163 16.601 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -10.676 -5.049 15.840 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -11.311 -3.519 15.270 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.657 -4.137 12.731 1.00 0.00 H new ATOM 727 N GLN A 57 -7.337 -4.556 14.393 1.00 0.00 N ATOM 728 CA GLN A 57 -6.207 -5.460 14.218 1.00 0.00 C ATOM 729 C GLN A 57 -6.680 -6.847 13.795 1.00 0.00 C ATOM 730 O GLN A 57 -7.096 -7.651 14.628 1.00 0.00 O ATOM 731 CB GLN A 57 -5.398 -5.556 15.512 1.00 0.00 C ATOM 732 CG GLN A 57 -5.291 -4.239 16.262 1.00 0.00 C ATOM 733 CD GLN A 57 -3.865 -3.728 16.343 1.00 0.00 C ATOM 734 OE1 GLN A 57 -3.162 -3.968 17.325 1.00 0.00 O ATOM 735 NE2 GLN A 57 -3.430 -3.021 15.307 1.00 0.00 N ATOM 0 H GLN A 57 -7.541 -3.973 13.581 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.571 -5.057 13.430 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.858 -6.299 16.164 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.395 -5.914 15.278 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.913 -3.492 15.768 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.685 -4.366 17.270 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.047 -2.846 14.514 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.479 -2.653 15.304 1.00 0.00 H new ATOM 742 N GLU A 58 -6.613 -7.119 12.495 1.00 0.00 N ATOM 743 CA GLU A 58 -7.036 -8.408 11.963 1.00 0.00 C ATOM 744 C GLU A 58 -6.013 -8.949 10.967 1.00 0.00 C ATOM 745 O GLU A 58 -5.467 -10.036 11.150 1.00 0.00 O ATOM 746 CB GLU A 58 -8.404 -8.284 11.288 1.00 0.00 C ATOM 747 CG GLU A 58 -9.511 -9.026 12.016 1.00 0.00 C ATOM 748 CD GLU A 58 -9.911 -10.310 11.315 1.00 0.00 C ATOM 749 OE1 GLU A 58 -9.099 -10.829 10.520 1.00 0.00 O ATOM 750 OE2 GLU A 58 -11.034 -10.796 11.562 1.00 0.00 O ATOM 0 H GLU A 58 -6.270 -6.464 11.792 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.112 -9.107 12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.671 -7.229 11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.333 -8.664 10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.183 -9.257 13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.382 -8.377 12.103 1.00 0.00 H new ATOM 755 N SER A 59 -5.759 -8.179 9.912 1.00 0.00 N ATOM 756 CA SER A 59 -4.807 -8.581 8.885 1.00 0.00 C ATOM 757 C SER A 59 -4.825 -7.601 7.715 1.00 0.00 C ATOM 758 O SER A 59 -5.882 -7.301 7.160 1.00 0.00 O ATOM 759 CB SER A 59 -5.124 -9.992 8.388 1.00 0.00 C ATOM 760 OG SER A 59 -3.976 -10.822 8.442 1.00 0.00 O ATOM 0 H SER A 59 -6.200 -7.274 9.748 1.00 0.00 H new ATOM 0 HA SER A 59 -3.810 -8.576 9.327 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.919 -10.425 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.495 -9.945 7.364 1.00 0.00 H new ATOM 0 HG SER A 59 -4.205 -11.719 8.121 1.00 0.00 H new ATOM 765 N ILE A 60 -3.647 -7.109 7.345 1.00 0.00 N ATOM 766 CA ILE A 60 -3.528 -6.166 6.240 1.00 0.00 C ATOM 767 C ILE A 60 -2.512 -6.651 5.211 1.00 0.00 C ATOM 768 O ILE A 60 -1.333 -6.827 5.522 1.00 0.00 O ATOM 769 CB ILE A 60 -3.112 -4.768 6.737 1.00 0.00 C ATOM 770 CG1 ILE A 60 -3.529 -4.576 8.196 1.00 0.00 C ATOM 771 CG2 ILE A 60 -3.727 -3.689 5.858 1.00 0.00 C ATOM 772 CD1 ILE A 60 -2.938 -3.340 8.836 1.00 0.00 C ATOM 0 H ILE A 60 -2.763 -7.348 7.794 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.511 -6.100 5.773 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.027 -4.685 6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.616 -4.519 8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.227 -5.452 8.770 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.424 -2.707 6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.385 -3.817 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.814 -3.769 5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.277 -3.268 9.870 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.850 -3.404 8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.261 -2.456 8.286 1.00 0.00 H new ATOM 783 N VAL A 61 -2.977 -6.863 3.984 1.00 0.00 N ATOM 784 CA VAL A 61 -2.109 -7.324 2.908 1.00 0.00 C ATOM 785 C VAL A 61 -2.444 -6.626 1.594 1.00 0.00 C ATOM 786 O VAL A 61 -3.575 -6.692 1.113 1.00 0.00 O ATOM 787 CB VAL A 61 -2.221 -8.848 2.709 1.00 0.00 C ATOM 788 CG1 VAL A 61 -1.409 -9.291 1.503 1.00 0.00 C ATOM 789 CG2 VAL A 61 -1.773 -9.582 3.964 1.00 0.00 C ATOM 0 H VAL A 61 -3.950 -6.723 3.711 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.088 -7.077 3.198 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.266 -9.097 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.501 -10.370 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.782 -8.790 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.361 -9.031 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.858 -10.657 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.736 -9.328 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.404 -9.287 4.803 1.00 0.00 H new ATOM 799 N LYS A 62 -1.451 -5.957 1.017 1.00 0.00 N ATOM 800 CA LYS A 62 -1.639 -5.246 -0.243 1.00 0.00 C ATOM 801 C LYS A 62 -2.403 -6.106 -1.244 1.00 0.00 C ATOM 802 O LYS A 62 -3.350 -5.642 -1.879 1.00 0.00 O ATOM 803 CB LYS A 62 -0.284 -4.844 -0.830 1.00 0.00 C ATOM 804 CG LYS A 62 0.693 -6.000 -0.953 1.00 0.00 C ATOM 805 CD LYS A 62 2.133 -5.524 -0.859 1.00 0.00 C ATOM 806 CE LYS A 62 3.074 -6.437 -1.631 1.00 0.00 C ATOM 807 NZ LYS A 62 2.799 -7.875 -1.357 1.00 0.00 N ATOM 0 H LYS A 62 -0.508 -5.892 1.401 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.223 -4.348 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.440 -4.405 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.159 -4.070 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.497 -6.728 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.538 -6.509 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.208 -4.509 -1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.437 -5.487 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.972 -6.245 -2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.105 -6.207 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.607 -8.449 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.653 -8.012 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.944 -8.169 -1.871 1.00 0.00 H new ATOM 817 N ASP A 63 -1.988 -7.361 -1.378 1.00 0.00 N ATOM 818 CA ASP A 63 -2.637 -8.287 -2.300 1.00 0.00 C ATOM 819 C ASP A 63 -4.102 -8.488 -1.927 1.00 0.00 C ATOM 820 O ASP A 63 -4.976 -8.523 -2.793 1.00 0.00 O ATOM 821 CB ASP A 63 -1.909 -9.632 -2.303 1.00 0.00 C ATOM 822 CG ASP A 63 -2.650 -10.690 -3.095 1.00 0.00 C ATOM 823 OD1 ASP A 63 -3.601 -10.331 -3.821 1.00 0.00 O ATOM 824 OD2 ASP A 63 -2.279 -11.878 -2.990 1.00 0.00 O ATOM 0 H ASP A 63 -1.205 -7.761 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.591 -7.856 -3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.911 -9.501 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.781 -9.975 -1.276 1.00 0.00 H new ATOM 828 N LYS A 64 -4.365 -8.621 -0.631 1.00 0.00 N ATOM 829 CA LYS A 64 -5.724 -8.819 -0.142 1.00 0.00 C ATOM 830 C LYS A 64 -6.427 -7.481 0.067 1.00 0.00 C ATOM 831 O LYS A 64 -7.616 -7.437 0.384 1.00 0.00 O ATOM 832 CB LYS A 64 -5.706 -9.608 1.170 1.00 0.00 C ATOM 833 CG LYS A 64 -4.757 -10.795 1.153 1.00 0.00 C ATOM 834 CD LYS A 64 -5.366 -11.983 0.427 1.00 0.00 C ATOM 835 CE LYS A 64 -4.299 -12.976 -0.009 1.00 0.00 C ATOM 836 NZ LYS A 64 -4.594 -13.555 -1.349 1.00 0.00 N ATOM 0 H LYS A 64 -3.654 -8.595 0.100 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.275 -9.386 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.423 -8.939 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.714 -9.962 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.824 -10.510 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.510 -11.080 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.083 -12.481 1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.918 -11.634 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.329 -12.479 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.228 -13.778 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.456 -14.585 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.579 -13.345 -1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.954 -13.139 -2.055 1.00 0.00 H new ATOM 846 N VAL A 65 -5.685 -6.393 -0.112 1.00 0.00 N ATOM 847 CA VAL A 65 -6.238 -5.055 0.054 1.00 0.00 C ATOM 848 C VAL A 65 -6.948 -4.593 -1.214 1.00 0.00 C ATOM 849 O VAL A 65 -6.509 -4.885 -2.326 1.00 0.00 O ATOM 850 CB VAL A 65 -5.142 -4.035 0.417 1.00 0.00 C ATOM 851 CG1 VAL A 65 -5.212 -2.826 -0.504 1.00 0.00 C ATOM 852 CG2 VAL A 65 -5.267 -3.615 1.873 1.00 0.00 C ATOM 0 H VAL A 65 -4.699 -6.412 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.958 -5.109 0.871 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.170 -4.508 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.430 -2.116 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.069 -3.146 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.187 -2.348 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.485 -2.894 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.243 -3.159 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.162 -4.490 2.514 1.00 0.00 H new ATOM 862 N PHE A 66 -8.048 -3.868 -1.038 1.00 0.00 N ATOM 863 CA PHE A 66 -8.820 -3.364 -2.169 1.00 0.00 C ATOM 864 C PHE A 66 -9.127 -1.879 -1.999 1.00 0.00 C ATOM 865 O PHE A 66 -9.719 -1.498 -0.991 1.00 0.00 O ATOM 866 CB PHE A 66 -10.123 -4.153 -2.315 1.00 0.00 C ATOM 867 CG PHE A 66 -9.916 -5.583 -2.725 1.00 0.00 C ATOM 868 CD1 PHE A 66 -9.698 -6.565 -1.773 1.00 0.00 C ATOM 869 CD2 PHE A 66 -9.937 -5.944 -4.062 1.00 0.00 C ATOM 870 CE1 PHE A 66 -9.507 -7.882 -2.146 1.00 0.00 C ATOM 871 CE2 PHE A 66 -9.747 -7.259 -4.442 1.00 0.00 C ATOM 872 CZ PHE A 66 -9.530 -8.230 -3.483 1.00 0.00 C ATOM 0 H PHE A 66 -8.425 -3.616 -0.124 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.223 -3.492 -3.072 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.661 -4.130 -1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.756 -3.660 -3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.677 -6.298 -0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.104 -5.189 -4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.340 -8.638 -1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.768 -7.528 -5.488 1.00 0.00 H new ATOM 0 HZ PHE A 66 -9.379 -9.258 -3.778 1.00 0.00 H new