USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 397 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 385 HIS : no HE2:sc= -0.399 X(o=-0.4,f=-0.5) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 HIS : no HD1:sc= -0.631 K(o=-0.63,f=-1.6!) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ -174:sc= -0.0957 (180deg=-0.123) USER MOD Single : A 403 CYS SG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 33:sc= 0.285 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 422 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 158 N VAL A 377 14.503 4.212 8.484 1.00 0.00 N ATOM 159 CA VAL A 377 14.444 3.492 7.217 1.00 0.00 C ATOM 160 C VAL A 377 15.759 3.613 6.455 1.00 0.00 C ATOM 161 O VAL A 377 16.096 4.681 5.944 1.00 0.00 O ATOM 162 CB VAL A 377 13.299 4.013 6.329 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.327 3.333 4.968 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.957 3.801 7.013 1.00 0.00 C ATOM 0 HA VAL A 377 14.261 2.444 7.456 1.00 0.00 H new ATOM 0 HB VAL A 377 13.438 5.083 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.511 3.714 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.278 3.541 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.213 2.257 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.159 4.175 6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.806 2.737 7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.943 4.339 7.961 1.00 0.00 H new ATOM 174 N ASP A 378 16.498 2.511 6.382 1.00 0.00 N ATOM 175 CA ASP A 378 17.776 2.492 5.681 1.00 0.00 C ATOM 176 C ASP A 378 17.616 2.989 4.247 1.00 0.00 C ATOM 177 O ASP A 378 18.331 3.891 3.809 1.00 0.00 O ATOM 178 CB ASP A 378 18.362 1.080 5.682 1.00 0.00 C ATOM 179 CG ASP A 378 19.870 1.078 5.522 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.379 1.852 4.685 1.00 0.00 O ATOM 181 OD2 ASP A 378 20.540 0.303 6.235 1.00 0.00 O ATOM 0 H ASP A 378 16.233 1.619 6.800 1.00 0.00 H new ATOM 0 HA ASP A 378 18.460 3.160 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.098 0.581 6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.913 0.503 4.873 1.00 0.00 H new ATOM 186 N ARG A 379 16.675 2.394 3.521 1.00 0.00 N ATOM 187 CA ARG A 379 16.424 2.774 2.137 1.00 0.00 C ATOM 188 C ARG A 379 15.218 2.024 1.577 1.00 0.00 C ATOM 189 O ARG A 379 14.542 1.291 2.299 1.00 0.00 O ATOM 190 CB ARG A 379 17.657 2.493 1.276 1.00 0.00 C ATOM 191 CG ARG A 379 17.906 1.013 1.033 1.00 0.00 C ATOM 192 CD ARG A 379 19.117 0.791 0.141 1.00 0.00 C ATOM 193 NE ARG A 379 18.944 1.397 -1.176 1.00 0.00 N ATOM 194 CZ ARG A 379 19.956 1.730 -1.970 1.00 0.00 C ATOM 195 NH1 ARG A 379 21.206 1.517 -1.582 1.00 0.00 N ATOM 196 NH2 ARG A 379 19.719 2.279 -3.155 1.00 0.00 N ATOM 0 H ARG A 379 16.074 1.647 3.869 1.00 0.00 H new ATOM 0 HA ARG A 379 16.209 3.842 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.541 2.996 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.533 2.926 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.057 0.507 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 379 17.026 0.566 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 379 20.002 1.210 0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.293 -0.279 0.028 1.00 0.00 H new ATOM 0 HE ARG A 379 17.995 1.574 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 379 21.393 1.096 -0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 379 21.981 1.774 -2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 379 18.759 2.446 -3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 379 20.497 2.534 -3.764 1.00 0.00 H new ATOM 210 N ILE A 380 14.956 2.214 0.289 1.00 0.00 N ATOM 211 CA ILE A 380 13.833 1.555 -0.367 1.00 0.00 C ATOM 212 C ILE A 380 14.315 0.562 -1.418 1.00 0.00 C ATOM 213 O ILE A 380 15.257 0.837 -2.162 1.00 0.00 O ATOM 214 CB ILE A 380 12.893 2.576 -1.034 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.491 3.662 -0.034 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.661 1.878 -1.590 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.740 4.815 -0.664 1.00 0.00 C ATOM 0 H ILE A 380 15.506 2.819 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 380 13.284 1.021 0.409 1.00 0.00 H new ATOM 0 HB ILE A 380 13.423 3.049 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.871 3.217 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 380 13.387 4.046 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 380 11.006 2.613 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.965 1.139 -2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 380 11.127 1.381 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 380 11.487 5.547 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.366 5.286 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.826 4.444 -1.127 1.00 0.00 H new ATOM 229 N LEU A 381 13.663 -0.594 -1.475 1.00 0.00 N ATOM 230 CA LEU A 381 14.023 -1.630 -2.437 1.00 0.00 C ATOM 231 C LEU A 381 13.132 -1.558 -3.674 1.00 0.00 C ATOM 232 O LEU A 381 13.606 -1.282 -4.775 1.00 0.00 O ATOM 233 CB LEU A 381 13.912 -3.013 -1.794 1.00 0.00 C ATOM 234 CG LEU A 381 15.062 -3.418 -0.871 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.693 -4.658 -0.072 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.332 -3.657 -1.674 1.00 0.00 C ATOM 0 H LEU A 381 12.882 -0.838 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 381 15.055 -1.462 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.984 -3.053 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.831 -3.755 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 381 15.246 -2.602 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.523 -4.932 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.810 -4.452 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.481 -5.481 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 381 17.140 -3.944 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.161 -4.455 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.607 -2.743 -2.201 1.00 0.00 H new ATOM 248 N GLU A 382 11.841 -1.807 -3.481 1.00 0.00 N ATOM 249 CA GLU A 382 10.884 -1.770 -4.581 1.00 0.00 C ATOM 250 C GLU A 382 9.513 -1.311 -4.094 1.00 0.00 C ATOM 251 O GLU A 382 9.269 -1.214 -2.891 1.00 0.00 O ATOM 252 CB GLU A 382 10.771 -3.148 -5.235 1.00 0.00 C ATOM 253 CG GLU A 382 11.774 -3.376 -6.354 1.00 0.00 C ATOM 254 CD GLU A 382 11.432 -2.599 -7.611 1.00 0.00 C ATOM 255 OE1 GLU A 382 11.119 -1.396 -7.497 1.00 0.00 O ATOM 256 OE2 GLU A 382 11.477 -3.195 -8.707 1.00 0.00 O ATOM 0 H GLU A 382 11.434 -2.036 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 382 11.246 -1.055 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 382 10.909 -3.915 -4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 382 9.763 -3.271 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 382 12.767 -3.086 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 382 11.815 -4.440 -6.589 1.00 0.00 H new ATOM 263 N VAL A 383 8.619 -1.031 -5.037 1.00 0.00 N ATOM 264 CA VAL A 383 7.272 -0.583 -4.706 1.00 0.00 C ATOM 265 C VAL A 383 6.221 -1.436 -5.408 1.00 0.00 C ATOM 266 O VAL A 383 6.316 -1.692 -6.608 1.00 0.00 O ATOM 267 CB VAL A 383 7.060 0.893 -5.090 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.389 1.115 -6.559 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.634 1.323 -4.784 1.00 0.00 C ATOM 0 H VAL A 383 8.804 -1.107 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 383 7.160 -0.689 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 383 7.736 1.506 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.233 2.164 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.430 0.848 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.740 0.493 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.502 2.369 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 383 4.938 0.706 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.439 1.203 -3.718 1.00 0.00 H new ATOM 279 N ALA A 384 5.219 -1.873 -4.652 1.00 0.00 N ATOM 280 CA ALA A 384 4.149 -2.695 -5.202 1.00 0.00 C ATOM 281 C ALA A 384 2.834 -1.924 -5.248 1.00 0.00 C ATOM 282 O ALA A 384 2.526 -1.146 -4.345 1.00 0.00 O ATOM 283 CB ALA A 384 3.988 -3.968 -4.385 1.00 0.00 C ATOM 0 H ALA A 384 5.126 -1.671 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 384 4.419 -2.964 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.185 -4.572 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 384 4.919 -4.535 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 384 3.744 -3.710 -3.354 1.00 0.00 H new ATOM 289 N HIS A 385 2.060 -2.145 -6.307 1.00 0.00 N ATOM 290 CA HIS A 385 0.777 -1.471 -6.470 1.00 0.00 C ATOM 291 C HIS A 385 -0.358 -2.484 -6.584 1.00 0.00 C ATOM 292 O HIS A 385 -0.373 -3.317 -7.490 1.00 0.00 O ATOM 293 CB HIS A 385 0.803 -0.575 -7.709 1.00 0.00 C ATOM 294 CG HIS A 385 2.059 0.230 -7.840 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.110 1.589 -7.608 1.00 0.00 N ATOM 296 CD2 HIS A 385 3.316 -0.139 -8.180 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.344 2.020 -7.801 1.00 0.00 C ATOM 298 NE2 HIS A 385 4.095 0.991 -8.149 1.00 0.00 N ATOM 0 H HIS A 385 2.299 -2.785 -7.064 1.00 0.00 H new ATOM 0 HA HIS A 385 0.603 -0.855 -5.588 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.684 -1.195 -8.598 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.051 0.102 -7.676 1.00 0.00 H new ATOM 0 HD1 HIS A 385 1.319 2.170 -7.331 1.00 0.00 H new ATOM 0 HD2 HIS A 385 3.645 -1.137 -8.429 1.00 0.00 H new ATOM 0 HE1 HIS A 385 3.681 3.040 -7.693 1.00 0.00 H new ATOM 306 N THR A 386 -1.308 -2.407 -5.657 1.00 0.00 N ATOM 307 CA THR A 386 -2.446 -3.317 -5.652 1.00 0.00 C ATOM 308 C THR A 386 -3.749 -2.569 -5.393 1.00 0.00 C ATOM 309 O THR A 386 -3.739 -1.410 -4.976 1.00 0.00 O ATOM 310 CB THR A 386 -2.280 -4.418 -4.587 1.00 0.00 C ATOM 311 OG1 THR A 386 -2.199 -3.831 -3.284 1.00 0.00 O ATOM 312 CG2 THR A 386 -1.032 -5.246 -4.855 1.00 0.00 C ATOM 0 H THR A 386 -1.311 -1.723 -4.900 1.00 0.00 H new ATOM 0 HA THR A 386 -2.485 -3.778 -6.639 1.00 0.00 H new ATOM 0 HB THR A 386 -3.149 -5.074 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 386 -2.095 -4.538 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 386 -0.936 -6.017 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 386 -1.110 -5.715 -5.836 1.00 0.00 H new ATOM 0 HG23 THR A 386 -0.155 -4.600 -4.831 1.00 0.00 H new ATOM 320 N LYS A 387 -4.869 -3.237 -5.644 1.00 0.00 N ATOM 321 CA LYS A 387 -6.182 -2.636 -5.436 1.00 0.00 C ATOM 322 C LYS A 387 -7.058 -3.529 -4.564 1.00 0.00 C ATOM 323 O LYS A 387 -7.017 -4.754 -4.677 1.00 0.00 O ATOM 324 CB LYS A 387 -6.869 -2.385 -6.780 1.00 0.00 C ATOM 325 CG LYS A 387 -8.326 -1.978 -6.652 1.00 0.00 C ATOM 326 CD LYS A 387 -9.034 -2.005 -7.996 1.00 0.00 C ATOM 327 CE LYS A 387 -8.705 -0.772 -8.824 1.00 0.00 C ATOM 328 NZ LYS A 387 -8.917 -1.009 -10.279 1.00 0.00 N ATOM 0 H LYS A 387 -4.895 -4.195 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 387 -6.041 -1.684 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -6.328 -1.604 -7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.805 -3.289 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -8.833 -2.650 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -8.389 -0.976 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -8.743 -2.901 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -10.111 -2.063 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -9.327 0.062 -8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -7.668 -0.484 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -8.682 -0.146 -10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -8.305 -1.788 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.912 -1.259 -10.449 1.00 0.00 H new ATOM 342 N ASP A 388 -7.849 -2.908 -3.697 1.00 0.00 N ATOM 343 CA ASP A 388 -8.737 -3.648 -2.807 1.00 0.00 C ATOM 344 C ASP A 388 -10.086 -3.900 -3.473 1.00 0.00 C ATOM 345 O ASP A 388 -10.362 -3.383 -4.555 1.00 0.00 O ATOM 346 CB ASP A 388 -8.936 -2.882 -1.498 1.00 0.00 C ATOM 347 CG ASP A 388 -9.198 -3.803 -0.323 1.00 0.00 C ATOM 348 OD1 ASP A 388 -9.462 -5.001 -0.555 1.00 0.00 O ATOM 349 OD2 ASP A 388 -9.139 -3.326 0.830 1.00 0.00 O ATOM 0 H ASP A 388 -7.894 -1.895 -3.591 1.00 0.00 H new ATOM 0 HA ASP A 388 -8.274 -4.610 -2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.050 -2.281 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.772 -2.191 -1.608 1.00 0.00 H new ATOM 354 N ALA A 389 -10.923 -4.700 -2.820 1.00 0.00 N ATOM 355 CA ALA A 389 -12.243 -5.021 -3.348 1.00 0.00 C ATOM 356 C ALA A 389 -13.339 -4.333 -2.540 1.00 0.00 C ATOM 357 O ALA A 389 -14.242 -3.716 -3.103 1.00 0.00 O ATOM 358 CB ALA A 389 -12.457 -6.527 -3.356 1.00 0.00 C ATOM 0 H ALA A 389 -10.710 -5.138 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 389 -12.297 -4.653 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -13.447 -6.752 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -11.700 -6.999 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -12.378 -6.911 -2.339 1.00 0.00 H new ATOM 364 N GLU A 390 -13.253 -4.446 -1.218 1.00 0.00 N ATOM 365 CA GLU A 390 -14.239 -3.836 -0.335 1.00 0.00 C ATOM 366 C GLU A 390 -14.653 -2.460 -0.848 1.00 0.00 C ATOM 367 O GLU A 390 -15.841 -2.147 -0.933 1.00 0.00 O ATOM 368 CB GLU A 390 -13.680 -3.716 1.084 1.00 0.00 C ATOM 369 CG GLU A 390 -13.837 -4.982 1.910 1.00 0.00 C ATOM 370 CD GLU A 390 -15.239 -5.554 1.839 1.00 0.00 C ATOM 371 OE1 GLU A 390 -16.104 -5.105 2.620 1.00 0.00 O ATOM 372 OE2 GLU A 390 -15.471 -6.452 1.003 1.00 0.00 O ATOM 0 H GLU A 390 -12.511 -4.954 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 390 -15.120 -4.478 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -12.623 -3.458 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -14.182 -2.894 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -13.125 -5.730 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -13.589 -4.767 2.949 1.00 0.00 H new ATOM 379 N THR A 391 -13.664 -1.640 -1.190 1.00 0.00 N ATOM 380 CA THR A 391 -13.924 -0.298 -1.694 1.00 0.00 C ATOM 381 C THR A 391 -13.487 -0.162 -3.148 1.00 0.00 C ATOM 382 O THR A 391 -14.269 0.247 -4.006 1.00 0.00 O ATOM 383 CB THR A 391 -13.199 0.768 -0.851 1.00 0.00 C ATOM 384 OG1 THR A 391 -11.794 0.492 -0.815 1.00 0.00 O ATOM 385 CG2 THR A 391 -13.750 0.805 0.566 1.00 0.00 C ATOM 0 H THR A 391 -12.675 -1.882 -1.127 1.00 0.00 H new ATOM 0 HA THR A 391 -15.000 -0.137 -1.624 1.00 0.00 H new ATOM 0 HB THR A 391 -13.366 1.741 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 391 -11.340 1.175 -0.279 1.00 0.00 H new ATOM 0 HG21 THR A 391 -13.222 1.565 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 391 -14.813 1.045 0.537 1.00 0.00 H new ATOM 0 HG23 THR A 391 -13.610 -0.168 1.036 1.00 0.00 H new ATOM 393 N GLY A 392 -12.233 -0.509 -3.420 1.00 0.00 N ATOM 394 CA GLY A 392 -11.715 -0.420 -4.773 1.00 0.00 C ATOM 395 C GLY A 392 -10.850 0.807 -4.982 1.00 0.00 C ATOM 396 O GLY A 392 -10.921 1.453 -6.027 1.00 0.00 O ATOM 0 H GLY A 392 -11.566 -0.850 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -11.132 -1.314 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -12.547 -0.399 -5.477 1.00 0.00 H new ATOM 400 N GLU A 393 -10.032 1.130 -3.985 1.00 0.00 N ATOM 401 CA GLU A 393 -9.152 2.290 -4.065 1.00 0.00 C ATOM 402 C GLU A 393 -7.785 1.899 -4.619 1.00 0.00 C ATOM 403 O GLU A 393 -7.563 0.748 -4.995 1.00 0.00 O ATOM 404 CB GLU A 393 -8.991 2.932 -2.685 1.00 0.00 C ATOM 405 CG GLU A 393 -10.159 3.817 -2.286 1.00 0.00 C ATOM 406 CD GLU A 393 -9.984 4.428 -0.909 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.190 3.708 0.090 1.00 0.00 O ATOM 408 OE2 GLU A 393 -9.641 5.626 -0.830 1.00 0.00 O ATOM 0 H GLU A 393 -9.960 0.605 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.606 3.012 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -8.870 2.146 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.076 3.525 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -10.274 4.614 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.078 3.231 -2.305 1.00 0.00 H new ATOM 415 N GLU A 394 -6.873 2.865 -4.666 1.00 0.00 N ATOM 416 CA GLU A 394 -5.529 2.621 -5.175 1.00 0.00 C ATOM 417 C GLU A 394 -4.549 2.382 -4.030 1.00 0.00 C ATOM 418 O GLU A 394 -4.029 3.326 -3.435 1.00 0.00 O ATOM 419 CB GLU A 394 -5.059 3.805 -6.024 1.00 0.00 C ATOM 420 CG GLU A 394 -5.653 5.135 -5.595 1.00 0.00 C ATOM 421 CD GLU A 394 -7.045 5.360 -6.152 1.00 0.00 C ATOM 422 OE1 GLU A 394 -7.166 5.575 -7.376 1.00 0.00 O ATOM 423 OE2 GLU A 394 -8.014 5.320 -5.364 1.00 0.00 O ATOM 0 H GLU A 394 -7.040 3.823 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.560 1.726 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -3.972 3.869 -5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -5.319 3.620 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -5.690 5.178 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -4.999 5.943 -5.923 1.00 0.00 H new ATOM 430 N VAL A 395 -4.301 1.111 -3.726 1.00 0.00 N ATOM 431 CA VAL A 395 -3.384 0.746 -2.654 1.00 0.00 C ATOM 432 C VAL A 395 -1.961 0.590 -3.177 1.00 0.00 C ATOM 433 O VAL A 395 -1.698 -0.226 -4.062 1.00 0.00 O ATOM 434 CB VAL A 395 -3.814 -0.564 -1.969 1.00 0.00 C ATOM 435 CG1 VAL A 395 -2.832 -0.940 -0.870 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.225 -0.437 -1.414 1.00 0.00 C ATOM 0 H VAL A 395 -4.723 0.317 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.413 1.555 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.811 -1.360 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.153 -1.868 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.839 -1.075 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -2.799 -0.146 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.512 -1.372 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.257 0.371 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -5.918 -0.219 -2.227 1.00 0.00 H new ATOM 446 N THR A 396 -1.043 1.377 -2.625 1.00 0.00 N ATOM 447 CA THR A 396 0.355 1.326 -3.036 1.00 0.00 C ATOM 448 C THR A 396 1.262 0.981 -1.860 1.00 0.00 C ATOM 449 O THR A 396 1.401 1.763 -0.920 1.00 0.00 O ATOM 450 CB THR A 396 0.810 2.666 -3.644 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.073 3.048 -4.705 1.00 0.00 O ATOM 452 CG2 THR A 396 2.232 2.565 -4.174 1.00 0.00 C ATOM 0 H THR A 396 -1.242 2.058 -1.892 1.00 0.00 H new ATOM 0 HA THR A 396 0.434 0.546 -3.793 1.00 0.00 H new ATOM 0 HB THR A 396 0.784 3.422 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 396 0.222 3.902 -5.085 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.531 3.523 -4.598 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.906 2.303 -3.359 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.279 1.796 -4.945 1.00 0.00 H new ATOM 460 N HIS A 397 1.878 -0.196 -1.920 1.00 0.00 N ATOM 461 CA HIS A 397 2.774 -0.644 -0.860 1.00 0.00 C ATOM 462 C HIS A 397 4.230 -0.380 -1.231 1.00 0.00 C ATOM 463 O HIS A 397 4.627 -0.546 -2.385 1.00 0.00 O ATOM 464 CB HIS A 397 2.567 -2.134 -0.586 1.00 0.00 C ATOM 465 CG HIS A 397 1.420 -2.421 0.333 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.121 -2.050 0.053 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.381 -3.048 1.532 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.667 -2.435 1.041 1.00 0.00 C ATOM 469 NE2 HIS A 397 0.073 -3.044 1.951 1.00 0.00 N ATOM 0 H HIS A 397 1.773 -0.856 -2.691 1.00 0.00 H new ATOM 0 HA HIS A 397 2.540 -0.080 0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.401 -2.649 -1.532 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.479 -2.546 -0.154 1.00 0.00 H new ATOM 0 HD2 HIS A 397 2.222 -3.472 2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.734 -2.279 1.096 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.271 -3.446 2.823 1.00 0.00 H new ATOM 477 N TYR A 398 5.020 0.033 -0.247 1.00 0.00 N ATOM 478 CA TYR A 398 6.431 0.323 -0.470 1.00 0.00 C ATOM 479 C TYR A 398 7.315 -0.562 0.403 1.00 0.00 C ATOM 480 O TYR A 398 7.227 -0.529 1.631 1.00 0.00 O ATOM 481 CB TYR A 398 6.723 1.797 -0.181 1.00 0.00 C ATOM 482 CG TYR A 398 6.324 2.725 -1.306 1.00 0.00 C ATOM 483 CD1 TYR A 398 7.214 3.034 -2.327 1.00 0.00 C ATOM 484 CD2 TYR A 398 5.056 3.293 -1.348 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.854 3.882 -3.356 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.687 4.141 -2.374 1.00 0.00 C ATOM 487 CZ TYR A 398 5.589 4.433 -3.376 1.00 0.00 C ATOM 488 OH TYR A 398 5.227 5.277 -4.400 1.00 0.00 O ATOM 0 H TYR A 398 4.707 0.175 0.713 1.00 0.00 H new ATOM 0 HA TYR A 398 6.657 0.112 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 398 6.196 2.092 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.788 1.916 0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 398 8.205 2.604 -2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.347 3.067 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.559 4.113 -4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.697 4.573 -2.392 1.00 0.00 H new ATOM 0 HH TYR A 398 4.304 5.577 -4.266 1.00 0.00 H new ATOM 498 N LEU A 399 8.168 -1.353 -0.240 1.00 0.00 N ATOM 499 CA LEU A 399 9.070 -2.248 0.477 1.00 0.00 C ATOM 500 C LEU A 399 10.131 -1.458 1.236 1.00 0.00 C ATOM 501 O LEU A 399 11.173 -1.107 0.684 1.00 0.00 O ATOM 502 CB LEU A 399 9.740 -3.216 -0.499 1.00 0.00 C ATOM 503 CG LEU A 399 10.750 -4.190 0.109 1.00 0.00 C ATOM 504 CD1 LEU A 399 10.068 -5.109 1.111 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.432 -5.002 -0.983 1.00 0.00 C ATOM 0 H LEU A 399 8.254 -1.393 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 399 8.482 -2.816 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.962 -3.795 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.246 -2.633 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 399 11.511 -3.613 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.802 -5.795 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.627 -4.513 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 399 9.286 -5.678 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 399 12.147 -5.690 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.683 -5.569 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.955 -4.330 -1.664 1.00 0.00 H new ATOM 517 N VAL A 400 9.859 -1.183 2.508 1.00 0.00 N ATOM 518 CA VAL A 400 10.791 -0.438 3.346 1.00 0.00 C ATOM 519 C VAL A 400 11.969 -1.309 3.766 1.00 0.00 C ATOM 520 O VAL A 400 11.793 -2.343 4.411 1.00 0.00 O ATOM 521 CB VAL A 400 10.097 0.111 4.606 1.00 0.00 C ATOM 522 CG1 VAL A 400 11.088 0.878 5.469 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.918 0.992 4.224 1.00 0.00 C ATOM 0 H VAL A 400 9.000 -1.465 2.981 1.00 0.00 H new ATOM 0 HA VAL A 400 11.156 0.397 2.748 1.00 0.00 H new ATOM 0 HB VAL A 400 9.719 -0.730 5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.580 1.259 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.897 0.213 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.498 1.712 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.440 1.371 5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.270 1.829 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.198 0.408 3.650 1.00 0.00 H new ATOM 533 N LYS A 401 13.173 -0.885 3.397 1.00 0.00 N ATOM 534 CA LYS A 401 14.383 -1.625 3.737 1.00 0.00 C ATOM 535 C LYS A 401 15.102 -0.979 4.916 1.00 0.00 C ATOM 536 O LYS A 401 15.701 0.089 4.781 1.00 0.00 O ATOM 537 CB LYS A 401 15.320 -1.692 2.529 1.00 0.00 C ATOM 538 CG LYS A 401 16.678 -2.294 2.846 1.00 0.00 C ATOM 539 CD LYS A 401 16.596 -3.802 3.007 1.00 0.00 C ATOM 540 CE LYS A 401 16.321 -4.194 4.451 1.00 0.00 C ATOM 541 NZ LYS A 401 17.576 -4.305 5.245 1.00 0.00 N ATOM 0 H LYS A 401 13.337 -0.032 2.862 1.00 0.00 H new ATOM 0 HA LYS A 401 14.093 -2.637 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.845 -2.280 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.461 -0.686 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 401 17.380 -2.050 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 401 17.069 -1.850 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 401 15.807 -4.195 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 401 17.531 -4.256 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 401 15.666 -3.454 4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 401 15.791 -5.146 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 17.356 -4.672 6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 18.233 -4.954 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 18.017 -3.367 5.330 1.00 0.00 H new ATOM 555 N TRP A 402 15.041 -1.633 6.070 1.00 0.00 N ATOM 556 CA TRP A 402 15.689 -1.122 7.273 1.00 0.00 C ATOM 557 C TRP A 402 16.642 -2.157 7.860 1.00 0.00 C ATOM 558 O TRP A 402 16.219 -3.072 8.569 1.00 0.00 O ATOM 559 CB TRP A 402 14.640 -0.728 8.314 1.00 0.00 C ATOM 560 CG TRP A 402 13.468 -1.661 8.358 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.459 -2.983 8.014 1.00 0.00 C ATOM 562 CD2 TRP A 402 12.133 -1.342 8.768 1.00 0.00 C ATOM 563 NE1 TRP A 402 12.199 -3.505 8.186 1.00 0.00 N ATOM 564 CE2 TRP A 402 11.368 -2.519 8.648 1.00 0.00 C ATOM 565 CE3 TRP A 402 11.511 -0.178 9.227 1.00 0.00 C ATOM 566 CZ2 TRP A 402 10.014 -2.562 8.969 1.00 0.00 C ATOM 567 CZ3 TRP A 402 10.167 -0.223 9.545 1.00 0.00 C ATOM 568 CH2 TRP A 402 9.430 -1.408 9.415 1.00 0.00 C ATOM 0 H TRP A 402 14.550 -2.518 6.199 1.00 0.00 H new ATOM 0 HA TRP A 402 16.266 -0.240 6.997 1.00 0.00 H new ATOM 0 HB2 TRP A 402 15.108 -0.698 9.298 1.00 0.00 H new ATOM 0 HB3 TRP A 402 14.285 0.280 8.099 1.00 0.00 H new ATOM 0 HD1 TRP A 402 14.316 -3.537 7.659 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.927 -4.470 8.000 1.00 0.00 H new ATOM 0 HE3 TRP A 402 12.070 0.740 9.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 9.445 -3.474 8.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.676 0.671 9.900 1.00 0.00 H new ATOM 0 HH2 TRP A 402 8.381 -1.410 9.672 1.00 0.00 H new ATOM 579 N CYS A 403 17.928 -2.008 7.562 1.00 0.00 N ATOM 580 CA CYS A 403 18.940 -2.932 8.060 1.00 0.00 C ATOM 581 C CYS A 403 18.664 -3.311 9.512 1.00 0.00 C ATOM 582 O CYS A 403 18.610 -4.491 9.856 1.00 0.00 O ATOM 583 CB CYS A 403 20.332 -2.309 7.940 1.00 0.00 C ATOM 584 SG CYS A 403 21.681 -3.513 7.926 1.00 0.00 S ATOM 0 H CYS A 403 18.294 -1.256 6.978 1.00 0.00 H new ATOM 0 HA CYS A 403 18.900 -3.837 7.453 1.00 0.00 H new ATOM 0 HB2 CYS A 403 20.377 -1.719 7.025 1.00 0.00 H new ATOM 0 HB3 CYS A 403 20.483 -1.620 8.771 1.00 0.00 H new ATOM 0 HG CYS A 403 22.817 -2.890 7.819 1.00 0.00 H new ATOM 590 N SER A 404 18.490 -2.301 10.359 1.00 0.00 N ATOM 591 CA SER A 404 18.224 -2.528 11.774 1.00 0.00 C ATOM 592 C SER A 404 17.411 -3.803 11.977 1.00 0.00 C ATOM 593 O SER A 404 17.620 -4.540 12.941 1.00 0.00 O ATOM 594 CB SER A 404 17.479 -1.333 12.373 1.00 0.00 C ATOM 595 OG SER A 404 18.374 -0.280 12.687 1.00 0.00 O ATOM 0 H SER A 404 18.529 -1.318 10.089 1.00 0.00 H new ATOM 0 HA SER A 404 19.180 -2.643 12.284 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.728 -0.978 11.668 1.00 0.00 H new ATOM 0 HB3 SER A 404 16.949 -1.645 13.273 1.00 0.00 H new ATOM 0 HG SER A 404 17.874 0.472 13.067 1.00 0.00 H new ATOM 601 N LEU A 405 16.482 -4.056 11.061 1.00 0.00 N ATOM 602 CA LEU A 405 15.636 -5.241 11.138 1.00 0.00 C ATOM 603 C LEU A 405 16.146 -6.336 10.206 1.00 0.00 C ATOM 604 O LEU A 405 16.830 -6.074 9.217 1.00 0.00 O ATOM 605 CB LEU A 405 14.192 -4.885 10.781 1.00 0.00 C ATOM 606 CG LEU A 405 13.392 -4.160 11.864 1.00 0.00 C ATOM 607 CD1 LEU A 405 12.164 -3.492 11.265 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.989 -5.128 12.967 1.00 0.00 C ATOM 0 H LEU A 405 16.296 -3.456 10.257 1.00 0.00 H new ATOM 0 HA LEU A 405 15.670 -5.615 12.161 1.00 0.00 H new ATOM 0 HB2 LEU A 405 14.203 -4.262 9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 405 13.666 -5.804 10.522 1.00 0.00 H new ATOM 0 HG LEU A 405 14.025 -3.387 12.299 1.00 0.00 H new ATOM 0 HD11 LEU A 405 11.608 -2.981 12.051 1.00 0.00 H new ATOM 0 HD12 LEU A 405 12.475 -2.768 10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.528 -4.247 10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 405 12.421 -4.595 13.729 1.00 0.00 H new ATOM 0 HD22 LEU A 405 12.374 -5.924 12.546 1.00 0.00 H new ATOM 0 HD23 LEU A 405 13.883 -5.560 13.417 1.00 0.00 H new ATOM 620 N PRO A 406 15.805 -7.593 10.527 1.00 0.00 N ATOM 621 CA PRO A 406 16.216 -8.752 9.730 1.00 0.00 C ATOM 622 C PRO A 406 15.515 -8.804 8.377 1.00 0.00 C ATOM 623 O PRO A 406 14.288 -8.749 8.300 1.00 0.00 O ATOM 624 CB PRO A 406 15.797 -9.944 10.594 1.00 0.00 C ATOM 625 CG PRO A 406 14.681 -9.428 11.435 1.00 0.00 C ATOM 626 CD PRO A 406 14.992 -7.979 11.692 1.00 0.00 C ATOM 0 HA PRO A 406 17.281 -8.729 9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 406 15.474 -10.784 9.979 1.00 0.00 H new ATOM 0 HB3 PRO A 406 16.625 -10.298 11.208 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.724 -9.537 10.924 1.00 0.00 H new ATOM 0 HG3 PRO A 406 14.608 -9.983 12.370 1.00 0.00 H new ATOM 0 HD2 PRO A 406 14.084 -7.380 11.765 1.00 0.00 H new ATOM 0 HD3 PRO A 406 15.538 -7.845 12.626 1.00 0.00 H new ATOM 634 N TYR A 407 16.302 -8.909 7.312 1.00 0.00 N ATOM 635 CA TYR A 407 15.756 -8.966 5.961 1.00 0.00 C ATOM 636 C TYR A 407 14.534 -9.878 5.904 1.00 0.00 C ATOM 637 O TYR A 407 13.506 -9.520 5.331 1.00 0.00 O ATOM 638 CB TYR A 407 16.820 -9.459 4.978 1.00 0.00 C ATOM 639 CG TYR A 407 16.375 -9.422 3.534 1.00 0.00 C ATOM 640 CD1 TYR A 407 16.159 -8.213 2.884 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.168 -10.596 2.820 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.751 -8.174 1.565 1.00 0.00 C ATOM 643 CE2 TYR A 407 15.762 -10.566 1.500 1.00 0.00 C ATOM 644 CZ TYR A 407 15.554 -9.353 0.877 1.00 0.00 C ATOM 645 OH TYR A 407 15.148 -9.320 -0.437 1.00 0.00 O ATOM 0 H TYR A 407 17.320 -8.956 7.358 1.00 0.00 H new ATOM 0 HA TYR A 407 15.449 -7.959 5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.716 -8.848 5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 407 17.097 -10.481 5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.313 -7.288 3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.327 -11.548 3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.587 -7.226 1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.608 -11.488 0.958 1.00 0.00 H new ATOM 0 HH TYR A 407 15.057 -10.236 -0.774 1.00 0.00 H new ATOM 655 N GLU A 408 14.656 -11.057 6.505 1.00 0.00 N ATOM 656 CA GLU A 408 13.562 -12.021 6.524 1.00 0.00 C ATOM 657 C GLU A 408 12.245 -11.342 6.889 1.00 0.00 C ATOM 658 O GLU A 408 11.194 -11.670 6.339 1.00 0.00 O ATOM 659 CB GLU A 408 13.861 -13.146 7.517 1.00 0.00 C ATOM 660 CG GLU A 408 12.866 -14.293 7.455 1.00 0.00 C ATOM 661 CD GLU A 408 12.985 -15.099 6.176 1.00 0.00 C ATOM 662 OE1 GLU A 408 14.045 -15.725 5.966 1.00 0.00 O ATOM 663 OE2 GLU A 408 12.018 -15.105 5.385 1.00 0.00 O ATOM 0 H GLU A 408 15.501 -11.368 6.985 1.00 0.00 H new ATOM 0 HA GLU A 408 13.468 -12.445 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 408 14.861 -13.533 7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 408 13.867 -12.736 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 408 13.021 -14.951 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 408 11.854 -13.896 7.537 1.00 0.00 H new ATOM 670 N GLU A 409 12.312 -10.395 7.820 1.00 0.00 N ATOM 671 CA GLU A 409 11.125 -9.672 8.259 1.00 0.00 C ATOM 672 C GLU A 409 10.827 -8.500 7.328 1.00 0.00 C ATOM 673 O GLU A 409 10.308 -7.469 7.756 1.00 0.00 O ATOM 674 CB GLU A 409 11.310 -9.165 9.691 1.00 0.00 C ATOM 675 CG GLU A 409 10.002 -8.947 10.432 1.00 0.00 C ATOM 676 CD GLU A 409 9.333 -10.247 10.832 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.645 -10.847 9.979 1.00 0.00 O ATOM 678 OE2 GLU A 409 9.497 -10.666 11.997 1.00 0.00 O ATOM 0 H GLU A 409 13.175 -10.111 8.284 1.00 0.00 H new ATOM 0 HA GLU A 409 10.280 -10.360 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.917 -9.881 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.865 -8.227 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.190 -8.350 11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 409 9.323 -8.373 9.801 1.00 0.00 H new ATOM 685 N SER A 410 11.160 -8.666 6.051 1.00 0.00 N ATOM 686 CA SER A 410 10.932 -7.621 5.060 1.00 0.00 C ATOM 687 C SER A 410 9.441 -7.352 4.887 1.00 0.00 C ATOM 688 O SER A 410 8.687 -8.220 4.444 1.00 0.00 O ATOM 689 CB SER A 410 11.549 -8.019 3.718 1.00 0.00 C ATOM 690 OG SER A 410 11.109 -9.305 3.316 1.00 0.00 O ATOM 0 H SER A 410 11.588 -9.514 5.679 1.00 0.00 H new ATOM 0 HA SER A 410 11.409 -6.708 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.280 -7.285 2.958 1.00 0.00 H new ATOM 0 HB3 SER A 410 12.636 -8.011 3.797 1.00 0.00 H new ATOM 0 HG SER A 410 10.191 -9.448 3.626 1.00 0.00 H new ATOM 696 N THR A 411 9.019 -6.141 5.240 1.00 0.00 N ATOM 697 CA THR A 411 7.618 -5.756 5.125 1.00 0.00 C ATOM 698 C THR A 411 7.447 -4.584 4.166 1.00 0.00 C ATOM 699 O THR A 411 8.420 -3.929 3.791 1.00 0.00 O ATOM 700 CB THR A 411 7.027 -5.373 6.495 1.00 0.00 C ATOM 701 OG1 THR A 411 5.656 -4.990 6.347 1.00 0.00 O ATOM 702 CG2 THR A 411 7.813 -4.233 7.124 1.00 0.00 C ATOM 0 H THR A 411 9.628 -5.410 5.608 1.00 0.00 H new ATOM 0 HA THR A 411 7.083 -6.622 4.735 1.00 0.00 H new ATOM 0 HB THR A 411 7.092 -6.242 7.150 1.00 0.00 H new ATOM 0 HG1 THR A 411 5.287 -4.750 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 411 7.377 -3.980 8.090 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.850 -4.539 7.263 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.776 -3.362 6.470 1.00 0.00 H new ATOM 710 N TRP A 412 6.205 -4.325 3.772 1.00 0.00 N ATOM 711 CA TRP A 412 5.907 -3.231 2.855 1.00 0.00 C ATOM 712 C TRP A 412 4.960 -2.224 3.499 1.00 0.00 C ATOM 713 O TRP A 412 3.745 -2.417 3.502 1.00 0.00 O ATOM 714 CB TRP A 412 5.294 -3.773 1.563 1.00 0.00 C ATOM 715 CG TRP A 412 5.996 -4.987 1.036 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.259 -6.142 1.716 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.527 -5.165 -0.282 1.00 0.00 C ATOM 718 NE1 TRP A 412 6.921 -7.027 0.900 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.097 -6.452 -0.331 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.575 -4.363 -1.425 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.707 -6.953 -1.478 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.181 -4.862 -2.563 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.740 -6.146 -2.583 1.00 0.00 C ATOM 0 H TRP A 412 5.389 -4.857 4.073 1.00 0.00 H new ATOM 0 HA TRP A 412 6.842 -2.723 2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.246 -4.016 1.741 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.315 -2.991 0.803 1.00 0.00 H new ATOM 0 HD1 TRP A 412 5.987 -6.332 2.744 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.231 -7.961 1.167 1.00 0.00 H new ATOM 0 HE3 TRP A 412 6.147 -3.372 -1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.139 -7.943 -1.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.224 -4.251 -3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.206 -6.506 -3.488 1.00 0.00 H new ATOM 734 N GLU A 413 5.525 -1.151 4.043 1.00 0.00 N ATOM 735 CA GLU A 413 4.728 -0.115 4.690 1.00 0.00 C ATOM 736 C GLU A 413 3.942 0.691 3.660 1.00 0.00 C ATOM 737 O GLU A 413 4.366 0.835 2.512 1.00 0.00 O ATOM 738 CB GLU A 413 5.628 0.818 5.504 1.00 0.00 C ATOM 739 CG GLU A 413 6.423 0.105 6.585 1.00 0.00 C ATOM 740 CD GLU A 413 5.576 -0.258 7.789 1.00 0.00 C ATOM 741 OE1 GLU A 413 4.600 0.469 8.069 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.889 -1.269 8.451 1.00 0.00 O ATOM 0 H GLU A 413 6.530 -0.976 4.049 1.00 0.00 H new ATOM 0 HA GLU A 413 4.021 -0.603 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.319 1.322 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 413 5.013 1.590 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.863 -0.801 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 413 7.247 0.742 6.904 1.00 0.00 H new ATOM 749 N LEU A 414 2.795 1.214 4.077 1.00 0.00 N ATOM 750 CA LEU A 414 1.948 2.006 3.191 1.00 0.00 C ATOM 751 C LEU A 414 2.603 3.343 2.863 1.00 0.00 C ATOM 752 O LEU A 414 3.285 3.933 3.700 1.00 0.00 O ATOM 753 CB LEU A 414 0.580 2.239 3.835 1.00 0.00 C ATOM 754 CG LEU A 414 -0.400 1.067 3.774 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.644 1.368 4.594 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.771 0.757 2.331 1.00 0.00 C ATOM 0 H LEU A 414 2.429 1.104 5.023 1.00 0.00 H new ATOM 0 HA LEU A 414 1.816 1.450 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.734 2.504 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 414 0.116 3.100 3.353 1.00 0.00 H new ATOM 0 HG LEU A 414 0.086 0.189 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.330 0.523 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.362 1.539 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.133 2.258 4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.469 -0.080 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.238 1.632 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.128 0.496 1.772 1.00 0.00 H new ATOM 768 N GLU A 415 2.389 3.817 1.639 1.00 0.00 N ATOM 769 CA GLU A 415 2.958 5.086 1.201 1.00 0.00 C ATOM 770 C GLU A 415 2.770 6.163 2.266 1.00 0.00 C ATOM 771 O GLU A 415 3.587 7.074 2.393 1.00 0.00 O ATOM 772 CB GLU A 415 2.314 5.533 -0.112 1.00 0.00 C ATOM 773 CG GLU A 415 2.953 6.774 -0.712 1.00 0.00 C ATOM 774 CD GLU A 415 2.314 8.057 -0.218 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.699 8.035 0.868 1.00 0.00 O ATOM 776 OE2 GLU A 415 2.429 9.085 -0.919 1.00 0.00 O ATOM 0 H GLU A 415 1.826 3.341 0.934 1.00 0.00 H new ATOM 0 HA GLU A 415 4.026 4.940 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.376 4.718 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.255 5.727 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 415 4.015 6.785 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 415 2.875 6.729 -1.798 1.00 0.00 H new ATOM 783 N GLU A 416 1.686 6.050 3.028 1.00 0.00 N ATOM 784 CA GLU A 416 1.389 7.014 4.081 1.00 0.00 C ATOM 785 C GLU A 416 2.502 7.040 5.124 1.00 0.00 C ATOM 786 O GLU A 416 3.211 8.037 5.267 1.00 0.00 O ATOM 787 CB GLU A 416 0.055 6.678 4.750 1.00 0.00 C ATOM 788 CG GLU A 416 -1.156 7.025 3.901 1.00 0.00 C ATOM 789 CD GLU A 416 -0.982 6.631 2.447 1.00 0.00 C ATOM 790 OE1 GLU A 416 -1.131 5.431 2.135 1.00 0.00 O ATOM 791 OE2 GLU A 416 -0.697 7.523 1.621 1.00 0.00 O ATOM 0 H GLU A 416 1.000 5.301 2.936 1.00 0.00 H new ATOM 0 HA GLU A 416 1.319 8.002 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 416 0.033 5.613 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.011 7.212 5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -2.035 6.524 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.343 8.097 3.963 1.00 0.00 H new ATOM 798 N ASP A 417 2.649 5.938 5.851 1.00 0.00 N ATOM 799 CA ASP A 417 3.675 5.833 6.882 1.00 0.00 C ATOM 800 C ASP A 417 5.056 6.135 6.307 1.00 0.00 C ATOM 801 O ASP A 417 5.879 6.785 6.951 1.00 0.00 O ATOM 802 CB ASP A 417 3.663 4.435 7.503 1.00 0.00 C ATOM 803 CG ASP A 417 2.713 4.334 8.681 1.00 0.00 C ATOM 804 OD1 ASP A 417 2.583 5.328 9.425 1.00 0.00 O ATOM 805 OD2 ASP A 417 2.101 3.260 8.859 1.00 0.00 O ATOM 0 H ASP A 417 2.071 5.105 5.745 1.00 0.00 H new ATOM 0 HA ASP A 417 3.454 6.568 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.376 3.706 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.670 4.176 7.829 1.00 0.00 H new ATOM 810 N VAL A 418 5.303 5.657 5.091 1.00 0.00 N ATOM 811 CA VAL A 418 6.583 5.876 4.429 1.00 0.00 C ATOM 812 C VAL A 418 6.749 7.336 4.023 1.00 0.00 C ATOM 813 O VAL A 418 6.148 7.792 3.050 1.00 0.00 O ATOM 814 CB VAL A 418 6.728 4.987 3.180 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.014 5.315 2.437 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.686 3.516 3.565 1.00 0.00 C ATOM 0 H VAL A 418 4.633 5.116 4.545 1.00 0.00 H new ATOM 0 HA VAL A 418 7.360 5.611 5.146 1.00 0.00 H new ATOM 0 HB VAL A 418 5.890 5.189 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.099 4.677 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 418 7.999 6.360 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.867 5.144 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 418 6.790 2.903 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.503 3.296 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.735 3.294 4.049 1.00 0.00 H new ATOM 826 N ASP A 419 7.569 8.063 4.774 1.00 0.00 N ATOM 827 CA ASP A 419 7.816 9.472 4.491 1.00 0.00 C ATOM 828 C ASP A 419 7.940 9.712 2.990 1.00 0.00 C ATOM 829 O ASP A 419 8.516 8.910 2.254 1.00 0.00 O ATOM 830 CB ASP A 419 9.087 9.941 5.201 1.00 0.00 C ATOM 831 CG ASP A 419 9.032 11.409 5.577 1.00 0.00 C ATOM 832 OD1 ASP A 419 8.499 11.723 6.662 1.00 0.00 O ATOM 833 OD2 ASP A 419 9.521 12.243 4.787 1.00 0.00 O ATOM 0 H ASP A 419 8.074 7.700 5.583 1.00 0.00 H new ATOM 0 HA ASP A 419 6.967 10.046 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 419 9.239 9.344 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 419 9.947 9.767 4.554 1.00 0.00 H new ATOM 838 N PRO A 420 7.385 10.840 2.522 1.00 0.00 N ATOM 839 CA PRO A 420 7.420 11.211 1.105 1.00 0.00 C ATOM 840 C PRO A 420 8.821 11.591 0.639 1.00 0.00 C ATOM 841 O PRO A 420 9.197 11.331 -0.504 1.00 0.00 O ATOM 842 CB PRO A 420 6.486 12.422 1.032 1.00 0.00 C ATOM 843 CG PRO A 420 6.512 13.003 2.403 1.00 0.00 C ATOM 844 CD PRO A 420 6.683 11.841 3.342 1.00 0.00 C ATOM 0 HA PRO A 420 7.121 10.385 0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 420 6.829 13.143 0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 420 5.476 12.127 0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 420 7.331 13.715 2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 420 5.590 13.544 2.615 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.263 12.118 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 420 5.723 11.467 3.698 1.00 0.00 H new ATOM 852 N ALA A 421 9.590 12.207 1.531 1.00 0.00 N ATOM 853 CA ALA A 421 10.951 12.620 1.211 1.00 0.00 C ATOM 854 C ALA A 421 11.781 11.440 0.717 1.00 0.00 C ATOM 855 O ALA A 421 12.540 11.560 -0.245 1.00 0.00 O ATOM 856 CB ALA A 421 11.608 13.258 2.426 1.00 0.00 C ATOM 0 H ALA A 421 9.294 12.431 2.481 1.00 0.00 H new ATOM 0 HA ALA A 421 10.902 13.357 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 421 12.624 13.562 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.034 14.132 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 421 11.638 12.538 3.244 1.00 0.00 H new ATOM 862 N LYS A 422 11.632 10.299 1.381 1.00 0.00 N ATOM 863 CA LYS A 422 12.367 9.095 1.010 1.00 0.00 C ATOM 864 C LYS A 422 11.980 8.632 -0.391 1.00 0.00 C ATOM 865 O LYS A 422 12.841 8.420 -1.245 1.00 0.00 O ATOM 866 CB LYS A 422 12.101 7.978 2.021 1.00 0.00 C ATOM 867 CG LYS A 422 12.751 8.212 3.373 1.00 0.00 C ATOM 868 CD LYS A 422 14.267 8.178 3.276 1.00 0.00 C ATOM 869 CE LYS A 422 14.902 7.805 4.607 1.00 0.00 C ATOM 870 NZ LYS A 422 16.254 8.409 4.765 1.00 0.00 N ATOM 0 H LYS A 422 11.008 10.182 2.180 1.00 0.00 H new ATOM 0 HA LYS A 422 13.431 9.333 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.025 7.873 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.464 7.035 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 422 12.432 9.176 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.413 7.451 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.568 7.459 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.634 9.153 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 422 14.259 8.137 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.978 6.720 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 16.653 8.131 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 16.876 8.073 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 16.179 9.445 4.719 1.00 0.00 H new ATOM 884 N VAL A 423 10.680 8.477 -0.620 1.00 0.00 N ATOM 885 CA VAL A 423 10.179 8.041 -1.918 1.00 0.00 C ATOM 886 C VAL A 423 10.884 8.775 -3.053 1.00 0.00 C ATOM 887 O VAL A 423 11.406 8.153 -3.979 1.00 0.00 O ATOM 888 CB VAL A 423 8.661 8.269 -2.038 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.152 7.776 -3.385 1.00 0.00 C ATOM 890 CG2 VAL A 423 7.927 7.581 -0.897 1.00 0.00 C ATOM 0 H VAL A 423 9.955 8.647 0.077 1.00 0.00 H new ATOM 0 HA VAL A 423 10.386 6.974 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 423 8.465 9.339 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.077 7.945 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.655 8.319 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.358 6.710 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 423 6.855 7.753 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.127 6.510 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.272 7.987 0.054 1.00 0.00 H new ATOM 900 N LYS A 424 10.896 10.101 -2.976 1.00 0.00 N ATOM 901 CA LYS A 424 11.538 10.922 -3.996 1.00 0.00 C ATOM 902 C LYS A 424 12.900 10.349 -4.377 1.00 0.00 C ATOM 903 O LYS A 424 13.193 10.153 -5.556 1.00 0.00 O ATOM 904 CB LYS A 424 11.699 12.359 -3.497 1.00 0.00 C ATOM 905 CG LYS A 424 10.509 13.249 -3.813 1.00 0.00 C ATOM 906 CD LYS A 424 9.372 13.030 -2.829 1.00 0.00 C ATOM 907 CE LYS A 424 8.308 14.110 -2.957 1.00 0.00 C ATOM 908 NZ LYS A 424 7.455 13.908 -4.161 1.00 0.00 N ATOM 0 H LYS A 424 10.468 10.631 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 424 10.902 10.921 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 424 11.855 12.345 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.594 12.792 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 424 10.818 14.294 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 424 10.160 13.045 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 424 8.922 12.052 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 424 9.765 13.024 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 424 7.682 14.111 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 424 8.787 15.087 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 6.743 14.664 -4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 8.048 13.932 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 6.977 12.986 -4.097 1.00 0.00 H new ATOM 922 N GLU A 425 13.727 10.083 -3.371 1.00 0.00 N ATOM 923 CA GLU A 425 15.057 9.533 -3.602 1.00 0.00 C ATOM 924 C GLU A 425 14.985 8.281 -4.472 1.00 0.00 C ATOM 925 O GLU A 425 15.612 8.209 -5.529 1.00 0.00 O ATOM 926 CB GLU A 425 15.736 9.203 -2.270 1.00 0.00 C ATOM 927 CG GLU A 425 17.110 8.574 -2.427 1.00 0.00 C ATOM 928 CD GLU A 425 17.041 7.094 -2.748 1.00 0.00 C ATOM 929 OE1 GLU A 425 16.274 6.375 -2.075 1.00 0.00 O ATOM 930 OE2 GLU A 425 17.755 6.655 -3.675 1.00 0.00 O ATOM 0 H GLU A 425 13.499 10.239 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 425 15.647 10.285 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.829 10.117 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.097 8.524 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.653 9.089 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.678 8.716 -1.508 1.00 0.00 H new ATOM 937 N PHE A 426 14.216 7.296 -4.019 1.00 0.00 N ATOM 938 CA PHE A 426 14.062 6.047 -4.754 1.00 0.00 C ATOM 939 C PHE A 426 13.586 6.310 -6.180 1.00 0.00 C ATOM 940 O PHE A 426 14.141 5.775 -7.139 1.00 0.00 O ATOM 941 CB PHE A 426 13.073 5.126 -4.036 1.00 0.00 C ATOM 942 CG PHE A 426 12.613 3.969 -4.875 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.524 3.056 -5.380 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.268 3.795 -5.160 1.00 0.00 C ATOM 945 CE1 PHE A 426 13.104 1.990 -6.153 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.842 2.730 -5.932 1.00 0.00 C ATOM 947 CZ PHE A 426 11.761 1.827 -6.430 1.00 0.00 C ATOM 0 H PHE A 426 13.690 7.339 -3.146 1.00 0.00 H new ATOM 0 HA PHE A 426 15.036 5.559 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.539 4.743 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.205 5.708 -3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.576 3.179 -5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.545 4.499 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.825 1.285 -6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.791 2.604 -6.146 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.430 0.996 -7.035 1.00 0.00 H new ATOM 957 N GLU A 427 12.553 7.136 -6.309 1.00 0.00 N ATOM 958 CA GLU A 427 12.001 7.469 -7.617 1.00 0.00 C ATOM 959 C GLU A 427 13.114 7.711 -8.632 1.00 0.00 C ATOM 960 O GLU A 427 13.109 7.140 -9.723 1.00 0.00 O ATOM 961 CB GLU A 427 11.108 8.708 -7.519 1.00 0.00 C ATOM 962 CG GLU A 427 9.738 8.425 -6.925 1.00 0.00 C ATOM 963 CD GLU A 427 8.680 9.397 -7.410 1.00 0.00 C ATOM 964 OE1 GLU A 427 8.754 10.588 -7.041 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.779 8.966 -8.160 1.00 0.00 O ATOM 0 H GLU A 427 12.082 7.587 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 427 11.402 6.624 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 427 11.610 9.460 -6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.982 9.135 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.438 7.409 -7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.800 8.474 -5.838 1.00 0.00 H new ATOM 972 N SER A 428 14.068 8.561 -8.265 1.00 0.00 N ATOM 973 CA SER A 428 15.186 8.883 -9.144 1.00 0.00 C ATOM 974 C SER A 428 15.891 7.613 -9.612 1.00 0.00 C ATOM 975 O SER A 428 16.208 7.465 -10.793 1.00 0.00 O ATOM 976 CB SER A 428 16.180 9.797 -8.426 1.00 0.00 C ATOM 977 OG SER A 428 17.291 10.092 -9.254 1.00 0.00 O ATOM 0 H SER A 428 14.089 9.039 -7.364 1.00 0.00 H new ATOM 0 HA SER A 428 14.792 9.403 -10.018 1.00 0.00 H new ATOM 0 HB2 SER A 428 15.683 10.723 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 428 16.523 9.318 -7.509 1.00 0.00 H new ATOM 0 HG SER A 428 17.911 10.679 -8.773 1.00 0.00 H new