USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 380 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 Single : A 12 SER OG : rot 43:sc= 0.672 USER MOD Single : A 18 CYS SG : rot 180:sc= -4.28! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= -0.13 (180deg=-0.789) USER MOD Single : A 29 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.027) USER MOD Single : A 33 SER OG : rot 180:sc= -0.129 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= -1.01 (180deg=-1.06) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= 0.0642 (180deg=-0.0128) USER MOD Single : A 44 MET CE :methyl -167:sc= -0.245 (180deg=-0.84) USER MOD Single : A 46 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 47 ASN : amide:sc= -2.5! X(o=-2.5!,f=-2.2) USER MOD Single : A 48 THR OG1 : rot 23:sc= 0.691 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.219 USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.407 (180deg=-1.63!) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.0495 (180deg=-0.557) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.253 7.609 4.563 1.00 0.00 N ATOM 184 CA SER A 12 5.443 6.243 5.119 1.00 0.00 C ATOM 185 C SER A 12 5.894 5.300 4.013 1.00 0.00 C ATOM 186 O SER A 12 5.415 5.380 2.902 1.00 0.00 O ATOM 187 CB SER A 12 4.097 5.750 5.671 1.00 0.00 C ATOM 188 OG SER A 12 3.575 6.869 6.371 1.00 0.00 O ATOM 0 HA SER A 12 6.195 6.266 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.429 5.435 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.228 4.893 6.332 1.00 0.00 H new ATOM 0 HG SER A 12 3.718 7.682 5.842 1.00 0.00 H new ATOM 194 N ALA A 13 6.812 4.435 4.324 1.00 0.00 N ATOM 195 CA ALA A 13 7.287 3.494 3.287 1.00 0.00 C ATOM 196 C ALA A 13 6.123 2.806 2.618 1.00 0.00 C ATOM 197 O ALA A 13 6.209 2.399 1.476 1.00 0.00 O ATOM 198 CB ALA A 13 8.145 2.411 3.964 1.00 0.00 C ATOM 0 H ALA A 13 7.248 4.341 5.241 1.00 0.00 H new ATOM 0 HA ALA A 13 7.857 4.052 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.504 1.708 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.996 2.878 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.544 1.879 4.701 1.00 0.00 H new ATOM 204 N PHE A 14 5.046 2.686 3.344 1.00 0.00 N ATOM 205 CA PHE A 14 3.844 2.019 2.780 1.00 0.00 C ATOM 206 C PHE A 14 2.898 3.023 2.090 1.00 0.00 C ATOM 207 O PHE A 14 1.990 2.641 1.384 1.00 0.00 O ATOM 208 CB PHE A 14 3.159 1.239 3.959 1.00 0.00 C ATOM 209 CG PHE A 14 1.682 1.599 4.177 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.299 2.896 4.407 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.726 0.600 4.200 1.00 0.00 C ATOM 212 CE1 PHE A 14 -0.025 3.200 4.656 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.587 0.898 4.449 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.967 2.199 4.678 1.00 0.00 C ATOM 0 H PHE A 14 4.948 3.021 4.302 1.00 0.00 H new ATOM 0 HA PHE A 14 4.122 1.321 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.236 0.169 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.709 1.437 4.879 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.037 3.684 4.393 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.018 -0.424 4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.320 4.224 4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.325 0.110 4.466 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.003 2.434 4.875 1.00 0.00 H new ATOM 224 N PHE A 15 3.101 4.286 2.335 1.00 0.00 N ATOM 225 CA PHE A 15 2.216 5.281 1.682 1.00 0.00 C ATOM 226 C PHE A 15 2.525 5.251 0.211 1.00 0.00 C ATOM 227 O PHE A 15 1.660 5.404 -0.636 1.00 0.00 O ATOM 228 CB PHE A 15 2.525 6.686 2.223 1.00 0.00 C ATOM 229 CG PHE A 15 1.674 7.706 1.458 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.292 7.669 1.540 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.273 8.673 0.668 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.475 8.581 0.844 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.502 9.584 -0.026 1.00 0.00 C ATOM 234 CZ PHE A 15 0.130 9.537 0.064 1.00 0.00 C ATOM 0 H PHE A 15 3.825 4.664 2.946 1.00 0.00 H new ATOM 0 HA PHE A 15 1.169 5.048 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.307 6.736 3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.584 6.912 2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.189 6.921 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.350 8.715 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.552 8.543 0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.977 10.335 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.472 10.251 -0.478 1.00 0.00 H new ATOM 244 N LEU A 16 3.778 5.044 -0.057 1.00 0.00 N ATOM 245 CA LEU A 16 4.235 4.984 -1.443 1.00 0.00 C ATOM 246 C LEU A 16 3.650 3.739 -2.085 1.00 0.00 C ATOM 247 O LEU A 16 3.484 3.659 -3.286 1.00 0.00 O ATOM 248 CB LEU A 16 5.776 4.844 -1.433 1.00 0.00 C ATOM 249 CG LEU A 16 6.409 5.888 -0.488 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.917 5.593 -0.362 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.205 7.305 -1.062 1.00 0.00 C ATOM 0 H LEU A 16 4.507 4.913 0.644 1.00 0.00 H new ATOM 0 HA LEU A 16 3.930 5.876 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.053 3.840 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.165 4.976 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 16 5.936 5.832 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.376 6.324 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.059 4.592 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.383 5.654 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.654 8.037 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.678 7.372 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.139 7.508 -1.160 1.00 0.00 H new ATOM 263 N PHE A 17 3.348 2.785 -1.239 1.00 0.00 N ATOM 264 CA PHE A 17 2.771 1.509 -1.709 1.00 0.00 C ATOM 265 C PHE A 17 1.267 1.640 -1.840 1.00 0.00 C ATOM 266 O PHE A 17 0.658 1.036 -2.688 1.00 0.00 O ATOM 267 CB PHE A 17 3.126 0.477 -0.638 1.00 0.00 C ATOM 268 CG PHE A 17 2.328 -0.799 -0.764 1.00 0.00 C ATOM 269 CD1 PHE A 17 1.051 -0.866 -0.242 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.908 -1.940 -1.274 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.368 -2.057 -0.221 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.220 -3.134 -1.255 1.00 0.00 C ATOM 273 CZ PHE A 17 0.949 -3.188 -0.722 1.00 0.00 C ATOM 0 H PHE A 17 3.483 2.847 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 17 3.159 1.220 -2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.189 0.243 -0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.956 0.910 0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.586 0.025 0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.904 -1.899 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.629 -2.100 0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.676 -4.027 -1.657 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.412 -4.125 -0.701 1.00 0.00 H new ATOM 283 N CYS A 18 0.689 2.422 -0.981 1.00 0.00 N ATOM 284 CA CYS A 18 -0.765 2.602 -1.048 1.00 0.00 C ATOM 285 C CYS A 18 -1.193 2.933 -2.472 1.00 0.00 C ATOM 286 O CYS A 18 -1.945 2.205 -3.077 1.00 0.00 O ATOM 287 CB CYS A 18 -1.143 3.783 -0.136 1.00 0.00 C ATOM 288 SG CYS A 18 -2.872 4.323 -0.136 1.00 0.00 S ATOM 0 H CYS A 18 1.164 2.939 -0.241 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.260 1.684 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.874 3.517 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.525 4.636 -0.417 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.015 5.321 0.685 1.00 0.00 H new ATOM 294 N SER A 19 -0.667 4.009 -2.989 1.00 0.00 N ATOM 295 CA SER A 19 -1.024 4.416 -4.370 1.00 0.00 C ATOM 296 C SER A 19 -0.982 3.236 -5.336 1.00 0.00 C ATOM 297 O SER A 19 -1.681 3.224 -6.331 1.00 0.00 O ATOM 298 CB SER A 19 -0.015 5.482 -4.842 1.00 0.00 C ATOM 299 OG SER A 19 -0.675 6.127 -5.920 1.00 0.00 O ATOM 0 H SER A 19 -0.006 4.622 -2.512 1.00 0.00 H new ATOM 0 HA SER A 19 -2.041 4.809 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.226 6.184 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.923 5.029 -5.162 1.00 0.00 H new ATOM 0 HG SER A 19 -0.097 6.830 -6.284 1.00 0.00 H new ATOM 305 N GLU A 20 -0.165 2.263 -5.032 1.00 0.00 N ATOM 306 CA GLU A 20 -0.070 1.078 -5.932 1.00 0.00 C ATOM 307 C GLU A 20 -1.184 0.058 -5.655 1.00 0.00 C ATOM 308 O GLU A 20 -1.849 -0.381 -6.567 1.00 0.00 O ATOM 309 CB GLU A 20 1.312 0.399 -5.711 1.00 0.00 C ATOM 310 CG GLU A 20 1.353 -0.961 -6.426 1.00 0.00 C ATOM 311 CD GLU A 20 0.880 -0.801 -7.875 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.559 -0.081 -8.591 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.132 -1.409 -8.186 1.00 0.00 O ATOM 0 H GLU A 20 0.435 2.237 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.180 1.418 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.106 1.042 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.493 0.264 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.367 -1.362 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.718 -1.676 -5.903 1.00 0.00 H new ATOM 320 N TYR A 21 -1.348 -0.321 -4.404 1.00 0.00 N ATOM 321 CA TYR A 21 -2.413 -1.315 -4.061 1.00 0.00 C ATOM 322 C TYR A 21 -3.736 -0.670 -3.671 1.00 0.00 C ATOM 323 O TYR A 21 -4.562 -1.296 -3.033 1.00 0.00 O ATOM 324 CB TYR A 21 -1.893 -2.150 -2.879 1.00 0.00 C ATOM 325 CG TYR A 21 -0.998 -3.258 -3.401 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.333 -3.015 -3.639 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.507 -4.517 -3.621 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.157 -4.025 -4.092 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.688 -5.530 -4.074 1.00 0.00 C ATOM 330 CZ TYR A 21 0.652 -5.292 -4.314 1.00 0.00 C ATOM 331 OH TYR A 21 1.474 -6.306 -4.761 1.00 0.00 O ATOM 0 H TYR A 21 -0.794 0.014 -3.616 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.614 -1.920 -4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.339 -1.516 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.729 -2.574 -2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.737 -2.028 -3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.553 -4.713 -3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.202 -3.824 -4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.096 -6.516 -4.242 1.00 0.00 H new ATOM 0 HH TYR A 21 0.952 -7.130 -4.862 1.00 0.00 H new ATOM 341 N ARG A 22 -3.927 0.549 -4.045 1.00 0.00 N ATOM 342 CA ARG A 22 -5.212 1.217 -3.688 1.00 0.00 C ATOM 343 C ARG A 22 -6.361 0.809 -4.651 1.00 0.00 C ATOM 344 O ARG A 22 -7.476 0.626 -4.217 1.00 0.00 O ATOM 345 CB ARG A 22 -5.042 2.772 -3.726 1.00 0.00 C ATOM 346 CG ARG A 22 -5.978 3.414 -2.680 1.00 0.00 C ATOM 347 CD ARG A 22 -5.742 4.924 -2.659 1.00 0.00 C ATOM 348 NE ARG A 22 -4.303 5.179 -2.377 1.00 0.00 N ATOM 349 CZ ARG A 22 -3.828 6.386 -2.502 1.00 0.00 C ATOM 350 NH1 ARG A 22 -4.631 7.345 -2.875 1.00 0.00 N ATOM 351 NH2 ARG A 22 -2.566 6.596 -2.251 1.00 0.00 N ATOM 0 H ARG A 22 -3.265 1.115 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.475 0.894 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.006 3.041 -3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.276 3.151 -4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.018 3.199 -2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.788 2.990 -1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.023 5.364 -3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.365 5.393 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.693 4.414 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.613 7.144 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.277 8.296 -2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.968 5.822 -1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.177 7.534 -2.344 1.00 0.00 H new ATOM 365 N PRO A 23 -6.059 0.651 -5.954 1.00 0.00 N ATOM 366 CA PRO A 23 -7.082 0.272 -6.929 1.00 0.00 C ATOM 367 C PRO A 23 -7.412 -1.222 -6.830 1.00 0.00 C ATOM 368 O PRO A 23 -8.541 -1.623 -7.022 1.00 0.00 O ATOM 369 CB PRO A 23 -6.439 0.594 -8.316 1.00 0.00 C ATOM 370 CG PRO A 23 -4.922 0.887 -8.053 1.00 0.00 C ATOM 371 CD PRO A 23 -4.710 0.820 -6.519 1.00 0.00 C ATOM 0 HA PRO A 23 -8.019 0.805 -6.765 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.558 -0.245 -9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.925 1.454 -8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.294 0.156 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.646 1.868 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.061 -0.012 -6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.237 1.728 -6.146 1.00 0.00 H new ATOM 379 N LYS A 24 -6.415 -2.018 -6.537 1.00 0.00 N ATOM 380 CA LYS A 24 -6.661 -3.474 -6.426 1.00 0.00 C ATOM 381 C LYS A 24 -7.842 -3.728 -5.517 1.00 0.00 C ATOM 382 O LYS A 24 -8.732 -4.491 -5.834 1.00 0.00 O ATOM 383 CB LYS A 24 -5.409 -4.140 -5.807 1.00 0.00 C ATOM 384 CG LYS A 24 -4.288 -4.231 -6.866 1.00 0.00 C ATOM 385 CD LYS A 24 -4.482 -5.505 -7.729 1.00 0.00 C ATOM 386 CE LYS A 24 -3.841 -5.294 -9.107 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.052 -6.491 -9.968 1.00 0.00 N ATOM 0 H LYS A 24 -5.453 -1.720 -6.373 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.868 -3.885 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.065 -3.563 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.659 -5.136 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.302 -3.345 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.314 -4.257 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.030 -6.364 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.544 -5.723 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.272 -4.414 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.774 -5.104 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.612 -6.332 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.620 -7.323 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.072 -6.655 -10.091 1.00 0.00 H new ATOM 401 N ILE A 25 -7.822 -3.076 -4.390 1.00 0.00 N ATOM 402 CA ILE A 25 -8.919 -3.236 -3.413 1.00 0.00 C ATOM 403 C ILE A 25 -10.040 -2.221 -3.699 1.00 0.00 C ATOM 404 O ILE A 25 -11.170 -2.597 -3.935 1.00 0.00 O ATOM 405 CB ILE A 25 -8.338 -3.004 -1.974 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.022 -2.199 -2.050 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.035 -4.389 -1.328 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.702 -1.588 -0.675 1.00 0.00 C ATOM 0 H ILE A 25 -7.082 -2.434 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.340 -4.239 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.065 -2.450 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.206 -2.848 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.111 -1.410 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.630 -4.243 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.955 -4.971 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.308 -4.924 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.773 -1.022 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.512 -0.924 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.594 -2.385 0.061 1.00 0.00 H new ATOM 420 N LYS A 26 -9.705 -0.954 -3.674 1.00 0.00 N ATOM 421 CA LYS A 26 -10.741 0.071 -3.942 1.00 0.00 C ATOM 422 C LYS A 26 -11.453 -0.251 -5.245 1.00 0.00 C ATOM 423 O LYS A 26 -12.585 0.139 -5.457 1.00 0.00 O ATOM 424 CB LYS A 26 -10.061 1.459 -4.058 1.00 0.00 C ATOM 425 CG LYS A 26 -11.139 2.571 -4.090 1.00 0.00 C ATOM 426 CD LYS A 26 -11.561 2.939 -2.643 1.00 0.00 C ATOM 427 CE LYS A 26 -10.665 4.072 -2.110 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.891 5.323 -2.888 1.00 0.00 N ATOM 0 H LYS A 26 -8.770 -0.596 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.466 0.080 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.388 1.616 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.454 1.502 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.750 3.452 -4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.007 2.232 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.605 3.251 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.480 2.065 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.879 4.248 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.618 3.778 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.721 6.147 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.238 5.352 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.872 5.344 -3.234 1.00 0.00 H new ATOM 442 N GLY A 27 -10.781 -0.977 -6.093 1.00 0.00 N ATOM 443 CA GLY A 27 -11.400 -1.337 -7.385 1.00 0.00 C ATOM 444 C GLY A 27 -12.643 -2.161 -7.117 1.00 0.00 C ATOM 445 O GLY A 27 -13.743 -1.781 -7.471 1.00 0.00 O ATOM 0 H GLY A 27 -9.836 -1.332 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.657 -0.437 -7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.697 -1.903 -7.996 1.00 0.00 H new ATOM 449 N GLU A 28 -12.438 -3.281 -6.491 1.00 0.00 N ATOM 450 CA GLU A 28 -13.566 -4.153 -6.177 1.00 0.00 C ATOM 451 C GLU A 28 -14.367 -3.547 -5.028 1.00 0.00 C ATOM 452 O GLU A 28 -15.370 -4.084 -4.607 1.00 0.00 O ATOM 453 CB GLU A 28 -13.002 -5.519 -5.750 1.00 0.00 C ATOM 454 CG GLU A 28 -12.638 -6.331 -6.999 1.00 0.00 C ATOM 455 CD GLU A 28 -13.917 -6.840 -7.670 1.00 0.00 C ATOM 456 OE1 GLU A 28 -14.788 -7.261 -6.927 1.00 0.00 O ATOM 457 OE2 GLU A 28 -13.950 -6.777 -8.889 1.00 0.00 O ATOM 0 H GLU A 28 -11.526 -3.621 -6.186 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.218 -4.266 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.121 -5.381 -5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.738 -6.058 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.071 -5.713 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.999 -7.171 -6.726 1.00 0.00 H new ATOM 464 N HIS A 29 -13.888 -2.417 -4.543 1.00 0.00 N ATOM 465 CA HIS A 29 -14.572 -1.719 -3.420 1.00 0.00 C ATOM 466 C HIS A 29 -14.612 -0.204 -3.678 1.00 0.00 C ATOM 467 O HIS A 29 -13.940 0.554 -3.008 1.00 0.00 O ATOM 468 CB HIS A 29 -13.744 -1.955 -2.158 1.00 0.00 C ATOM 469 CG HIS A 29 -13.873 -3.408 -1.721 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.630 -3.817 -0.822 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.205 -4.524 -2.180 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.522 -5.066 -0.655 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.629 -5.612 -1.482 1.00 0.00 N ATOM 0 H HIS A 29 -13.047 -1.954 -4.886 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.590 -2.097 -3.320 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.698 -1.714 -2.348 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.083 -1.294 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.465 -4.533 -2.966 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.088 -5.627 0.074 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.341 -6.587 -1.568 1.00 0.00 H new ATOM 481 N PRO A 30 -15.400 0.211 -4.663 1.00 0.00 N ATOM 482 CA PRO A 30 -15.514 1.631 -4.996 1.00 0.00 C ATOM 483 C PRO A 30 -16.227 2.411 -3.871 1.00 0.00 C ATOM 484 O PRO A 30 -17.343 2.866 -4.027 1.00 0.00 O ATOM 485 CB PRO A 30 -16.346 1.662 -6.325 1.00 0.00 C ATOM 486 CG PRO A 30 -16.842 0.197 -6.591 1.00 0.00 C ATOM 487 CD PRO A 30 -16.207 -0.703 -5.499 1.00 0.00 C ATOM 0 HA PRO A 30 -14.540 2.106 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.191 2.345 -6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.735 2.019 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.930 0.145 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.545 -0.136 -7.586 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.973 -1.204 -4.907 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.587 -1.482 -5.943 1.00 0.00 H new ATOM 495 N GLY A 31 -15.562 2.544 -2.748 1.00 0.00 N ATOM 496 CA GLY A 31 -16.188 3.288 -1.614 1.00 0.00 C ATOM 497 C GLY A 31 -15.591 2.859 -0.267 1.00 0.00 C ATOM 498 O GLY A 31 -16.313 2.631 0.681 1.00 0.00 O ATOM 0 H GLY A 31 -14.628 2.175 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.042 4.359 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.264 3.111 -1.610 1.00 0.00 H new ATOM 502 N LEU A 32 -14.286 2.755 -0.203 1.00 0.00 N ATOM 503 CA LEU A 32 -13.656 2.341 1.089 1.00 0.00 C ATOM 504 C LEU A 32 -13.466 3.536 1.999 1.00 0.00 C ATOM 505 O LEU A 32 -13.444 4.670 1.561 1.00 0.00 O ATOM 506 CB LEU A 32 -12.231 1.799 0.836 1.00 0.00 C ATOM 507 CG LEU A 32 -12.222 0.423 0.175 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.749 -0.013 0.071 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.977 -0.593 1.053 1.00 0.00 C ATOM 0 H LEU A 32 -13.641 2.935 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.311 1.593 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.688 2.502 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.696 1.743 1.784 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.703 0.466 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.693 -0.996 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.198 0.709 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.312 -0.061 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.964 -1.571 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.493 -0.662 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.009 -0.266 1.182 1.00 0.00 H new ATOM 521 N SER A 33 -13.328 3.251 3.259 1.00 0.00 N ATOM 522 CA SER A 33 -13.128 4.319 4.246 1.00 0.00 C ATOM 523 C SER A 33 -11.636 4.437 4.500 1.00 0.00 C ATOM 524 O SER A 33 -10.938 3.444 4.489 1.00 0.00 O ATOM 525 CB SER A 33 -13.826 3.922 5.553 1.00 0.00 C ATOM 526 OG SER A 33 -13.327 2.622 5.833 1.00 0.00 O ATOM 0 H SER A 33 -13.347 2.307 3.644 1.00 0.00 H new ATOM 0 HA SER A 33 -13.535 5.264 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.593 4.620 6.357 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.910 3.917 5.440 1.00 0.00 H new ATOM 0 HG SER A 33 -13.726 2.290 6.664 1.00 0.00 H new ATOM 532 N ILE A 34 -11.154 5.623 4.711 1.00 0.00 N ATOM 533 CA ILE A 34 -9.699 5.757 4.960 1.00 0.00 C ATOM 534 C ILE A 34 -9.240 4.738 5.992 1.00 0.00 C ATOM 535 O ILE A 34 -8.094 4.333 6.007 1.00 0.00 O ATOM 536 CB ILE A 34 -9.434 7.162 5.494 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.073 8.199 4.553 1.00 0.00 C ATOM 538 CG2 ILE A 34 -7.887 7.399 5.585 1.00 0.00 C ATOM 539 CD1 ILE A 34 -9.620 7.952 3.101 1.00 0.00 C ATOM 0 H ILE A 34 -11.691 6.490 4.722 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.153 5.584 4.032 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.872 7.267 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.159 8.139 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.791 9.205 4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.694 8.402 5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.445 6.664 6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.444 7.296 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.079 8.692 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.535 8.036 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.925 6.953 2.790 1.00 0.00 H new ATOM 551 N GLY A 35 -10.146 4.348 6.832 1.00 0.00 N ATOM 552 CA GLY A 35 -9.793 3.352 7.874 1.00 0.00 C ATOM 553 C GLY A 35 -9.565 1.978 7.230 1.00 0.00 C ATOM 554 O GLY A 35 -8.724 1.226 7.666 1.00 0.00 O ATOM 0 H GLY A 35 -11.113 4.673 6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.894 3.669 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.591 3.288 8.613 1.00 0.00 H new ATOM 558 N ASP A 36 -10.326 1.687 6.197 1.00 0.00 N ATOM 559 CA ASP A 36 -10.173 0.371 5.508 1.00 0.00 C ATOM 560 C ASP A 36 -9.037 0.395 4.509 1.00 0.00 C ATOM 561 O ASP A 36 -8.222 -0.503 4.458 1.00 0.00 O ATOM 562 CB ASP A 36 -11.476 0.079 4.731 1.00 0.00 C ATOM 563 CG ASP A 36 -11.641 -1.434 4.551 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.656 -2.114 4.779 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.740 -1.821 4.195 1.00 0.00 O ATOM 0 H ASP A 36 -11.040 2.302 5.807 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.964 -0.389 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.331 0.486 5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.449 0.570 3.758 1.00 0.00 H new ATOM 570 N VAL A 37 -9.010 1.427 3.737 1.00 0.00 N ATOM 571 CA VAL A 37 -7.954 1.551 2.728 1.00 0.00 C ATOM 572 C VAL A 37 -6.599 1.331 3.347 1.00 0.00 C ATOM 573 O VAL A 37 -5.890 0.421 3.001 1.00 0.00 O ATOM 574 CB VAL A 37 -8.005 2.990 2.158 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.860 3.177 1.175 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.330 3.208 1.443 1.00 0.00 C ATOM 0 H VAL A 37 -9.681 2.195 3.764 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.110 0.806 1.948 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.913 3.710 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.890 4.188 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.911 3.019 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.957 2.457 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.365 4.221 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.425 2.492 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.151 3.068 2.147 1.00 0.00 H new ATOM 586 N ALA A 38 -6.286 2.151 4.271 1.00 0.00 N ATOM 587 CA ALA A 38 -4.991 2.031 4.938 1.00 0.00 C ATOM 588 C ALA A 38 -4.832 0.700 5.695 1.00 0.00 C ATOM 589 O ALA A 38 -3.745 0.161 5.759 1.00 0.00 O ATOM 590 CB ALA A 38 -4.876 3.206 5.891 1.00 0.00 C ATOM 0 H ALA A 38 -6.878 2.913 4.601 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.196 2.040 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.921 3.158 6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.936 4.138 5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.689 3.167 6.616 1.00 0.00 H new ATOM 596 N LYS A 39 -5.904 0.185 6.252 1.00 0.00 N ATOM 597 CA LYS A 39 -5.778 -1.102 6.986 1.00 0.00 C ATOM 598 C LYS A 39 -5.450 -2.230 6.010 1.00 0.00 C ATOM 599 O LYS A 39 -4.464 -2.922 6.166 1.00 0.00 O ATOM 600 CB LYS A 39 -7.132 -1.404 7.707 1.00 0.00 C ATOM 601 CG LYS A 39 -7.098 -0.933 9.191 1.00 0.00 C ATOM 602 CD LYS A 39 -6.367 0.442 9.330 1.00 0.00 C ATOM 603 CE LYS A 39 -6.920 1.247 10.551 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.752 2.387 10.082 1.00 0.00 N ATOM 0 H LYS A 39 -6.838 0.594 6.229 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.975 -1.030 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.946 -0.903 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.338 -2.474 7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.116 -0.847 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.591 -1.681 9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.296 0.278 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.499 1.022 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.514 0.592 11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.093 1.617 11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.168 2.873 10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.158 3.054 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.512 2.032 9.467 1.00 0.00 H new ATOM 618 N LYS A 40 -6.280 -2.389 5.030 1.00 0.00 N ATOM 619 CA LYS A 40 -6.036 -3.459 4.039 1.00 0.00 C ATOM 620 C LYS A 40 -4.643 -3.314 3.466 1.00 0.00 C ATOM 621 O LYS A 40 -3.914 -4.275 3.339 1.00 0.00 O ATOM 622 CB LYS A 40 -7.073 -3.324 2.909 1.00 0.00 C ATOM 623 CG LYS A 40 -8.400 -3.926 3.382 1.00 0.00 C ATOM 624 CD LYS A 40 -9.519 -3.499 2.432 1.00 0.00 C ATOM 625 CE LYS A 40 -10.764 -4.339 2.721 1.00 0.00 C ATOM 626 NZ LYS A 40 -11.908 -3.884 1.884 1.00 0.00 N ATOM 0 H LYS A 40 -7.116 -1.826 4.871 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.124 -4.435 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.208 -2.275 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.724 -3.837 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.329 -5.013 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.622 -3.593 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.741 -2.440 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.206 -3.634 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.555 -5.390 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.025 -4.261 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.537 -4.689 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.438 -3.147 2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.550 -3.498 0.987 1.00 0.00 H new ATOM 640 N LEU A 41 -4.298 -2.116 3.116 1.00 0.00 N ATOM 641 CA LEU A 41 -2.960 -1.899 2.558 1.00 0.00 C ATOM 642 C LEU A 41 -1.937 -2.250 3.595 1.00 0.00 C ATOM 643 O LEU A 41 -0.857 -2.717 3.290 1.00 0.00 O ATOM 644 CB LEU A 41 -2.801 -0.413 2.214 1.00 0.00 C ATOM 645 CG LEU A 41 -3.721 -0.036 1.058 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.772 1.482 0.986 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.173 -0.596 -0.265 1.00 0.00 C ATOM 0 H LEU A 41 -4.885 -1.286 3.194 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.827 -2.514 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.034 0.196 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.765 -0.203 1.947 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.716 -0.451 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.424 1.786 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.160 1.878 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.769 1.872 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.840 -0.319 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.181 -0.184 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.109 -1.682 -0.202 1.00 0.00 H new ATOM 659 N GLY A 42 -2.299 -2.016 4.814 1.00 0.00 N ATOM 660 CA GLY A 42 -1.379 -2.321 5.908 1.00 0.00 C ATOM 661 C GLY A 42 -1.196 -3.835 6.006 1.00 0.00 C ATOM 662 O GLY A 42 -0.142 -4.320 6.372 1.00 0.00 O ATOM 0 H GLY A 42 -3.198 -1.625 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.418 -1.837 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.769 -1.929 6.847 1.00 0.00 H new ATOM 666 N GLU A 43 -2.245 -4.551 5.673 1.00 0.00 N ATOM 667 CA GLU A 43 -2.178 -6.016 5.730 1.00 0.00 C ATOM 668 C GLU A 43 -1.339 -6.542 4.569 1.00 0.00 C ATOM 669 O GLU A 43 -0.448 -7.347 4.756 1.00 0.00 O ATOM 670 CB GLU A 43 -3.619 -6.560 5.617 1.00 0.00 C ATOM 671 CG GLU A 43 -4.299 -6.482 6.989 1.00 0.00 C ATOM 672 CD GLU A 43 -5.811 -6.665 6.818 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.171 -7.325 5.858 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.518 -6.136 7.660 1.00 0.00 O ATOM 0 H GLU A 43 -3.139 -4.168 5.366 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.719 -6.339 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.182 -5.981 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.604 -7.591 5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.901 -7.252 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.088 -5.521 7.458 1.00 0.00 H new ATOM 681 N MET A 44 -1.642 -6.077 3.382 1.00 0.00 N ATOM 682 CA MET A 44 -0.871 -6.538 2.203 1.00 0.00 C ATOM 683 C MET A 44 0.568 -6.080 2.311 1.00 0.00 C ATOM 684 O MET A 44 1.481 -6.830 2.052 1.00 0.00 O ATOM 685 CB MET A 44 -1.513 -5.933 0.930 1.00 0.00 C ATOM 686 CG MET A 44 -2.737 -6.771 0.566 1.00 0.00 C ATOM 687 SD MET A 44 -3.767 -6.204 -0.803 1.00 0.00 S ATOM 688 CE MET A 44 -4.257 -4.638 -0.059 1.00 0.00 C ATOM 0 H MET A 44 -2.384 -5.405 3.186 1.00 0.00 H new ATOM 0 HA MET A 44 -0.888 -7.627 2.154 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.801 -4.897 1.106 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.797 -5.930 0.108 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.395 -7.779 0.333 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.368 -6.845 1.452 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.083 -4.209 -0.626 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.572 -4.807 0.971 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.412 -3.949 -0.071 1.00 0.00 H new ATOM 698 N TRP A 45 0.739 -4.857 2.687 1.00 0.00 N ATOM 699 CA TRP A 45 2.104 -4.324 2.821 1.00 0.00 C ATOM 700 C TRP A 45 2.909 -5.200 3.743 1.00 0.00 C ATOM 701 O TRP A 45 3.903 -5.774 3.361 1.00 0.00 O ATOM 702 CB TRP A 45 1.979 -2.927 3.429 1.00 0.00 C ATOM 703 CG TRP A 45 3.332 -2.403 3.913 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.622 -2.197 5.183 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.295 -1.971 3.135 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.815 -1.600 5.149 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.316 -1.413 3.881 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.378 -1.968 1.762 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.401 -0.858 3.252 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.467 -1.413 1.138 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.472 -0.855 1.883 1.00 0.00 C ATOM 0 H TRP A 45 -0.011 -4.202 2.908 1.00 0.00 H new ATOM 0 HA TRP A 45 2.604 -4.292 1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.566 -2.242 2.688 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.278 -2.954 4.264 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.031 -2.452 6.050 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.312 -1.308 5.990 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.584 -2.404 1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.199 -0.423 3.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.532 -1.416 0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.324 -0.411 1.390 1.00 0.00 H new ATOM 722 N ASN A 46 2.472 -5.274 4.950 1.00 0.00 N ATOM 723 CA ASN A 46 3.194 -6.112 5.929 1.00 0.00 C ATOM 724 C ASN A 46 3.470 -7.493 5.332 1.00 0.00 C ATOM 725 O ASN A 46 4.472 -8.114 5.623 1.00 0.00 O ATOM 726 CB ASN A 46 2.297 -6.272 7.181 1.00 0.00 C ATOM 727 CG ASN A 46 2.527 -5.093 8.133 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.330 -4.220 7.875 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.840 -5.031 9.241 1.00 0.00 N ATOM 0 H ASN A 46 1.647 -4.793 5.307 1.00 0.00 H new ATOM 0 HA ASN A 46 4.143 -5.643 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.248 -6.315 6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.525 -7.210 7.687 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.979 -4.252 9.885 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.164 -5.762 9.463 1.00 0.00 H new ATOM 736 N ASN A 47 2.563 -7.941 4.503 1.00 0.00 N ATOM 737 CA ASN A 47 2.727 -9.272 3.863 1.00 0.00 C ATOM 738 C ASN A 47 3.441 -9.171 2.507 1.00 0.00 C ATOM 739 O ASN A 47 3.836 -10.170 1.940 1.00 0.00 O ATOM 740 CB ASN A 47 1.325 -9.858 3.635 1.00 0.00 C ATOM 741 CG ASN A 47 0.601 -9.976 4.979 1.00 0.00 C ATOM 742 OD1 ASN A 47 1.204 -10.228 6.003 1.00 0.00 O ATOM 743 ND2 ASN A 47 -0.693 -9.798 5.019 1.00 0.00 N ATOM 0 H ASN A 47 1.715 -7.438 4.243 1.00 0.00 H new ATOM 0 HA ASN A 47 3.333 -9.902 4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.757 -9.220 2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.400 -10.837 3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.191 -9.871 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.205 -9.586 4.163 1.00 0.00 H new ATOM 750 N THR A 48 3.592 -7.968 2.014 1.00 0.00 N ATOM 751 CA THR A 48 4.277 -7.793 0.699 1.00 0.00 C ATOM 752 C THR A 48 5.678 -8.395 0.724 1.00 0.00 C ATOM 753 O THR A 48 6.455 -8.137 1.621 1.00 0.00 O ATOM 754 CB THR A 48 4.391 -6.287 0.401 1.00 0.00 C ATOM 755 OG1 THR A 48 3.069 -5.849 0.165 1.00 0.00 O ATOM 756 CG2 THR A 48 5.120 -6.037 -0.929 1.00 0.00 C ATOM 0 H THR A 48 3.274 -7.108 2.460 1.00 0.00 H new ATOM 0 HA THR A 48 3.694 -8.302 -0.069 1.00 0.00 H new ATOM 0 HB THR A 48 4.914 -5.793 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.439 -6.464 0.595 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.185 -4.964 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.124 -6.458 -0.878 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.568 -6.511 -1.741 1.00 0.00 H new ATOM 764 N ALA A 49 5.973 -9.193 -0.270 1.00 0.00 N ATOM 765 CA ALA A 49 7.309 -9.826 -0.332 1.00 0.00 C ATOM 766 C ALA A 49 8.414 -8.782 -0.220 1.00 0.00 C ATOM 767 O ALA A 49 8.237 -7.642 -0.601 1.00 0.00 O ATOM 768 CB ALA A 49 7.437 -10.541 -1.687 1.00 0.00 C ATOM 0 H ALA A 49 5.343 -9.429 -1.037 1.00 0.00 H new ATOM 0 HA ALA A 49 7.411 -10.527 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.415 -11.016 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.658 -11.299 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.328 -9.815 -2.493 1.00 0.00 H new ATOM 774 N ALA A 50 9.538 -9.191 0.308 1.00 0.00 N ATOM 775 CA ALA A 50 10.661 -8.242 0.451 1.00 0.00 C ATOM 776 C ALA A 50 11.040 -7.642 -0.896 1.00 0.00 C ATOM 777 O ALA A 50 11.152 -6.439 -1.034 1.00 0.00 O ATOM 778 CB ALA A 50 11.870 -9.003 1.013 1.00 0.00 C ATOM 0 H ALA A 50 9.719 -10.138 0.642 1.00 0.00 H new ATOM 0 HA ALA A 50 10.361 -7.434 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.711 -8.318 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.614 -9.426 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.145 -9.805 0.328 1.00 0.00 H new ATOM 784 N ASP A 51 11.232 -8.492 -1.867 1.00 0.00 N ATOM 785 CA ASP A 51 11.604 -7.992 -3.209 1.00 0.00 C ATOM 786 C ASP A 51 10.616 -6.935 -3.686 1.00 0.00 C ATOM 787 O ASP A 51 10.965 -6.055 -4.449 1.00 0.00 O ATOM 788 CB ASP A 51 11.572 -9.174 -4.191 1.00 0.00 C ATOM 789 CG ASP A 51 12.249 -8.763 -5.501 1.00 0.00 C ATOM 790 OD1 ASP A 51 13.466 -8.838 -5.526 1.00 0.00 O ATOM 791 OD2 ASP A 51 11.510 -8.397 -6.401 1.00 0.00 O ATOM 0 H ASP A 51 11.147 -9.505 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 51 12.598 -7.546 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.083 -10.034 -3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.542 -9.477 -4.380 1.00 0.00 H new ATOM 796 N ASP A 52 9.395 -7.045 -3.232 1.00 0.00 N ATOM 797 CA ASP A 52 8.364 -6.052 -3.648 1.00 0.00 C ATOM 798 C ASP A 52 8.470 -4.773 -2.813 1.00 0.00 C ATOM 799 O ASP A 52 8.053 -3.716 -3.246 1.00 0.00 O ATOM 800 CB ASP A 52 6.968 -6.688 -3.444 1.00 0.00 C ATOM 801 CG ASP A 52 6.621 -7.556 -4.658 1.00 0.00 C ATOM 802 OD1 ASP A 52 6.549 -6.980 -5.731 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.449 -8.743 -4.443 1.00 0.00 O ATOM 0 H ASP A 52 9.070 -7.774 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 52 8.518 -5.788 -4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.961 -7.293 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.217 -5.909 -3.314 1.00 0.00 H new ATOM 808 N LYS A 53 9.027 -4.889 -1.634 1.00 0.00 N ATOM 809 CA LYS A 53 9.166 -3.684 -0.767 1.00 0.00 C ATOM 810 C LYS A 53 10.394 -2.871 -1.190 1.00 0.00 C ATOM 811 O LYS A 53 10.537 -1.718 -0.835 1.00 0.00 O ATOM 812 CB LYS A 53 9.359 -4.154 0.698 1.00 0.00 C ATOM 813 CG LYS A 53 7.989 -4.500 1.332 1.00 0.00 C ATOM 814 CD LYS A 53 8.122 -4.464 2.862 1.00 0.00 C ATOM 815 CE LYS A 53 6.829 -4.981 3.504 1.00 0.00 C ATOM 816 NZ LYS A 53 7.063 -5.319 4.937 1.00 0.00 N ATOM 0 H LYS A 53 9.388 -5.757 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 53 8.275 -3.063 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.011 -5.027 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.849 -3.372 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.232 -3.788 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.662 -5.487 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.967 -5.076 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.324 -3.446 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.048 -4.225 3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.476 -5.862 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.179 -5.668 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.794 -6.056 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.379 -4.469 5.447 1.00 0.00 H new ATOM 830 N GLN A 54 11.250 -3.503 -1.941 1.00 0.00 N ATOM 831 CA GLN A 54 12.477 -2.825 -2.415 1.00 0.00 C ATOM 832 C GLN A 54 12.176 -1.536 -3.245 1.00 0.00 C ATOM 833 O GLN A 54 12.627 -0.482 -2.903 1.00 0.00 O ATOM 834 CB GLN A 54 13.278 -3.852 -3.277 1.00 0.00 C ATOM 835 CG GLN A 54 14.483 -4.389 -2.479 1.00 0.00 C ATOM 836 CD GLN A 54 15.057 -5.618 -3.190 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.289 -5.605 -4.383 1.00 0.00 O ATOM 838 NE2 GLN A 54 15.300 -6.695 -2.496 1.00 0.00 N ATOM 0 H GLN A 54 11.147 -4.470 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 54 13.054 -2.496 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.629 -4.677 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.623 -3.377 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.247 -3.617 -2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.175 -4.651 -1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.107 -6.711 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.683 -7.522 -2.955 1.00 0.00 H new ATOM 847 N PRO A 55 11.423 -1.640 -4.327 1.00 0.00 N ATOM 848 CA PRO A 55 11.121 -0.455 -5.127 1.00 0.00 C ATOM 849 C PRO A 55 10.742 0.739 -4.258 1.00 0.00 C ATOM 850 O PRO A 55 11.142 1.856 -4.517 1.00 0.00 O ATOM 851 CB PRO A 55 9.920 -0.885 -6.014 1.00 0.00 C ATOM 852 CG PRO A 55 9.825 -2.444 -5.925 1.00 0.00 C ATOM 853 CD PRO A 55 10.800 -2.888 -4.802 1.00 0.00 C ATOM 0 HA PRO A 55 11.986 -0.132 -5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.997 -0.421 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.068 -0.565 -7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.806 -2.757 -5.698 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.096 -2.903 -6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.270 -3.397 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.548 -3.584 -5.181 1.00 0.00 H new ATOM 861 N TYR A 56 9.985 0.473 -3.254 1.00 0.00 N ATOM 862 CA TYR A 56 9.557 1.570 -2.348 1.00 0.00 C ATOM 863 C TYR A 56 10.681 2.040 -1.419 1.00 0.00 C ATOM 864 O TYR A 56 10.864 3.228 -1.235 1.00 0.00 O ATOM 865 CB TYR A 56 8.394 1.056 -1.513 1.00 0.00 C ATOM 866 CG TYR A 56 7.256 0.683 -2.454 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.526 1.664 -3.069 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.944 -0.633 -2.691 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.481 1.338 -3.910 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.904 -0.969 -3.532 1.00 0.00 C ATOM 871 CZ TYR A 56 5.163 0.016 -4.150 1.00 0.00 C ATOM 872 OH TYR A 56 4.122 -0.316 -4.995 1.00 0.00 O ATOM 0 H TYR A 56 9.638 -0.455 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 56 9.270 2.428 -2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.701 0.190 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.068 1.819 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.770 2.702 -2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.519 -1.413 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.909 2.122 -4.383 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.669 -2.008 -3.707 1.00 0.00 H new ATOM 0 HH TYR A 56 4.042 -1.291 -5.048 1.00 0.00 H new ATOM 882 N GLU A 57 11.419 1.122 -0.846 1.00 0.00 N ATOM 883 CA GLU A 57 12.509 1.556 0.055 1.00 0.00 C ATOM 884 C GLU A 57 13.581 2.229 -0.772 1.00 0.00 C ATOM 885 O GLU A 57 14.265 3.131 -0.331 1.00 0.00 O ATOM 886 CB GLU A 57 13.056 0.298 0.789 1.00 0.00 C ATOM 887 CG GLU A 57 14.153 -0.408 -0.024 1.00 0.00 C ATOM 888 CD GLU A 57 15.492 0.310 0.173 1.00 0.00 C ATOM 889 OE1 GLU A 57 15.765 0.643 1.315 1.00 0.00 O ATOM 890 OE2 GLU A 57 16.164 0.483 -0.829 1.00 0.00 O ATOM 0 H GLU A 57 11.312 0.115 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 57 12.157 2.270 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.455 0.589 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.238 -0.398 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.238 -1.448 0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.887 -0.416 -1.081 1.00 0.00 H new ATOM 897 N LYS A 58 13.686 1.755 -1.958 1.00 0.00 N ATOM 898 CA LYS A 58 14.675 2.294 -2.901 1.00 0.00 C ATOM 899 C LYS A 58 14.286 3.708 -3.292 1.00 0.00 C ATOM 900 O LYS A 58 15.106 4.604 -3.310 1.00 0.00 O ATOM 901 CB LYS A 58 14.672 1.394 -4.161 1.00 0.00 C ATOM 902 CG LYS A 58 15.811 1.815 -5.108 1.00 0.00 C ATOM 903 CD LYS A 58 17.185 1.565 -4.425 1.00 0.00 C ATOM 904 CE LYS A 58 18.259 1.274 -5.500 1.00 0.00 C ATOM 905 NZ LYS A 58 17.909 1.939 -6.787 1.00 0.00 N ATOM 0 H LYS A 58 13.114 0.996 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 58 15.665 2.312 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.794 0.350 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.713 1.474 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.749 1.251 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.710 2.869 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.473 2.436 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.111 0.725 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.231 1.627 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.346 0.198 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.759 2.012 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.186 1.379 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.538 2.892 -6.596 1.00 0.00 H new ATOM 919 N LYS A 59 13.033 3.879 -3.602 1.00 0.00 N ATOM 920 CA LYS A 59 12.559 5.210 -3.990 1.00 0.00 C ATOM 921 C LYS A 59 12.771 6.175 -2.851 1.00 0.00 C ATOM 922 O LYS A 59 13.358 7.223 -3.009 1.00 0.00 O ATOM 923 CB LYS A 59 11.054 5.118 -4.285 1.00 0.00 C ATOM 924 CG LYS A 59 10.620 6.369 -5.048 1.00 0.00 C ATOM 925 CD LYS A 59 9.149 6.233 -5.439 1.00 0.00 C ATOM 926 CE LYS A 59 8.797 7.321 -6.460 1.00 0.00 C ATOM 927 NZ LYS A 59 9.374 8.635 -6.052 1.00 0.00 N ATOM 0 H LYS A 59 12.324 3.146 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 59 13.105 5.558 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.839 4.225 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.493 5.030 -3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.764 7.255 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.235 6.498 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.962 5.246 -5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.516 6.326 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.177 7.041 -7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.714 7.406 -6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.845 9.404 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.307 8.738 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.372 8.681 -6.341 1.00 0.00 H new ATOM 941 N ALA A 60 12.277 5.800 -1.718 1.00 0.00 N ATOM 942 CA ALA A 60 12.430 6.665 -0.545 1.00 0.00 C ATOM 943 C ALA A 60 13.903 6.965 -0.289 1.00 0.00 C ATOM 944 O ALA A 60 14.237 7.992 0.255 1.00 0.00 O ATOM 945 CB ALA A 60 11.849 5.933 0.672 1.00 0.00 C ATOM 0 H ALA A 60 11.773 4.928 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 60 11.908 7.606 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.953 6.560 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.794 5.721 0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.387 4.997 0.825 1.00 0.00 H new