USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 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= -3.35! C(o=-3.3!,f=-3.5!) 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= -0.27 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 HIS :FLIP no HE2:sc= -6.83! C(o=-7.4!,f=-6.8!) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= -0.0281 (180deg=-0.0281) USER MOD Single : A 403 CYS SG : rot 180:sc= -0.228 USER MOD Single : A 404 SER OG : rot 180:sc= -0.0778 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 147:sc= 1.72 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 422 LYS NZ :NH3+ 158:sc= -0.15 (180deg=-0.625) USER MOD Single : A 424 LYS NZ :NH3+ 166:sc= -0.0105 (180deg=-0.166) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 158 N VAL A 377 15.103 3.460 8.844 1.00 0.00 N ATOM 159 CA VAL A 377 14.959 2.874 7.517 1.00 0.00 C ATOM 160 C VAL A 377 16.241 3.026 6.707 1.00 0.00 C ATOM 161 O VAL A 377 16.815 4.112 6.631 1.00 0.00 O ATOM 162 CB VAL A 377 13.795 3.520 6.741 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.709 2.948 5.334 1.00 0.00 C ATOM 164 CG2 VAL A 377 12.484 3.323 7.487 1.00 0.00 C ATOM 0 HA VAL A 377 14.747 1.815 7.661 1.00 0.00 H new ATOM 0 HB VAL A 377 13.984 4.591 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.881 3.416 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.640 3.146 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.544 1.872 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.673 3.785 6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.286 2.257 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.553 3.785 8.472 1.00 0.00 H new ATOM 174 N ASP A 378 16.686 1.929 6.103 1.00 0.00 N ATOM 175 CA ASP A 378 17.901 1.940 5.296 1.00 0.00 C ATOM 176 C ASP A 378 17.636 2.548 3.922 1.00 0.00 C ATOM 177 O ASP A 378 18.272 3.527 3.532 1.00 0.00 O ATOM 178 CB ASP A 378 18.449 0.521 5.142 1.00 0.00 C ATOM 179 CG ASP A 378 19.767 0.487 4.393 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.678 1.258 4.760 1.00 0.00 O ATOM 181 OD2 ASP A 378 19.886 -0.310 3.438 1.00 0.00 O ATOM 0 H ASP A 378 16.224 1.021 6.157 1.00 0.00 H new ATOM 0 HA ASP A 378 18.642 2.554 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.584 0.078 6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.719 -0.092 4.614 1.00 0.00 H new ATOM 186 N ARG A 379 16.693 1.960 3.193 1.00 0.00 N ATOM 187 CA ARG A 379 16.345 2.441 1.861 1.00 0.00 C ATOM 188 C ARG A 379 15.079 1.760 1.350 1.00 0.00 C ATOM 189 O ARG A 379 14.441 0.994 2.072 1.00 0.00 O ATOM 190 CB ARG A 379 17.499 2.193 0.888 1.00 0.00 C ATOM 191 CG ARG A 379 17.744 0.722 0.597 1.00 0.00 C ATOM 192 CD ARG A 379 18.906 0.531 -0.366 1.00 0.00 C ATOM 193 NE ARG A 379 20.194 0.531 0.323 1.00 0.00 N ATOM 194 CZ ARG A 379 21.358 0.365 -0.295 1.00 0.00 C ATOM 195 NH1 ARG A 379 21.396 0.187 -1.608 1.00 0.00 N ATOM 196 NH2 ARG A 379 22.487 0.377 0.401 1.00 0.00 N ATOM 0 H ARG A 379 16.156 1.150 3.502 1.00 0.00 H new ATOM 0 HA ARG A 379 16.159 3.513 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.291 2.710 -0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.409 2.630 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 379 17.951 0.195 1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.843 0.279 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 379 18.782 -0.410 -0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 379 18.894 1.326 -1.111 1.00 0.00 H new ATOM 0 HE ARG A 379 20.200 0.666 1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 379 20.530 0.177 -2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 379 22.291 0.060 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 379 22.462 0.514 1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 379 23.380 0.249 -0.074 1.00 0.00 H new ATOM 210 N ILE A 380 14.723 2.045 0.102 1.00 0.00 N ATOM 211 CA ILE A 380 13.534 1.460 -0.505 1.00 0.00 C ATOM 212 C ILE A 380 13.909 0.399 -1.535 1.00 0.00 C ATOM 213 O ILE A 380 14.374 0.719 -2.630 1.00 0.00 O ATOM 214 CB ILE A 380 12.662 2.532 -1.183 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.220 3.583 -0.162 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.453 1.890 -1.847 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.683 4.849 -0.790 1.00 0.00 C ATOM 0 H ILE A 380 15.241 2.677 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 380 12.964 0.997 0.300 1.00 0.00 H new ATOM 0 HB ILE A 380 13.255 3.027 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.452 3.152 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 380 13.066 3.835 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.846 2.661 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.788 1.177 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.858 1.372 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 380 11.389 5.548 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.455 5.303 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.816 4.610 -1.406 1.00 0.00 H new ATOM 229 N LEU A 381 13.701 -0.863 -1.178 1.00 0.00 N ATOM 230 CA LEU A 381 14.015 -1.972 -2.072 1.00 0.00 C ATOM 231 C LEU A 381 13.195 -1.886 -3.356 1.00 0.00 C ATOM 232 O LEU A 381 13.725 -1.576 -4.422 1.00 0.00 O ATOM 233 CB LEU A 381 13.751 -3.307 -1.374 1.00 0.00 C ATOM 234 CG LEU A 381 14.838 -3.789 -0.413 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.276 -4.814 0.559 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.013 -4.372 -1.186 1.00 0.00 C ATOM 0 H LEU A 381 13.316 -1.144 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 381 15.072 -1.908 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.815 -3.226 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.605 -4.071 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 381 15.194 -2.933 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.065 -5.145 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.469 -4.363 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 381 13.891 -5.669 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.777 -4.710 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 381 15.671 -5.216 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.433 -3.608 -1.841 1.00 0.00 H new ATOM 248 N GLU A 382 11.899 -2.161 -3.244 1.00 0.00 N ATOM 249 CA GLU A 382 11.006 -2.113 -4.395 1.00 0.00 C ATOM 250 C GLU A 382 9.602 -1.686 -3.978 1.00 0.00 C ATOM 251 O GLU A 382 9.294 -1.603 -2.789 1.00 0.00 O ATOM 252 CB GLU A 382 10.952 -3.478 -5.084 1.00 0.00 C ATOM 253 CG GLU A 382 11.999 -3.653 -6.172 1.00 0.00 C ATOM 254 CD GLU A 382 11.622 -2.951 -7.462 1.00 0.00 C ATOM 255 OE1 GLU A 382 11.624 -1.702 -7.480 1.00 0.00 O ATOM 256 OE2 GLU A 382 11.324 -3.649 -8.454 1.00 0.00 O ATOM 0 H GLU A 382 11.445 -2.419 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 382 11.398 -1.375 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.084 -4.259 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 382 9.962 -3.617 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 382 12.954 -3.266 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 382 12.139 -4.716 -6.369 1.00 0.00 H new ATOM 263 N VAL A 383 8.754 -1.415 -4.965 1.00 0.00 N ATOM 264 CA VAL A 383 7.382 -0.997 -4.701 1.00 0.00 C ATOM 265 C VAL A 383 6.385 -2.031 -5.212 1.00 0.00 C ATOM 266 O VAL A 383 6.643 -2.725 -6.195 1.00 0.00 O ATOM 267 CB VAL A 383 7.074 0.363 -5.355 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.285 0.292 -6.860 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.656 0.802 -5.027 1.00 0.00 C ATOM 0 H VAL A 383 8.993 -1.477 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 383 7.282 -0.903 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 383 7.762 1.105 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.063 1.262 -7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.321 0.025 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.623 -0.462 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.455 1.765 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 383 4.950 0.061 -5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.545 0.895 -3.947 1.00 0.00 H new ATOM 279 N ALA A 384 5.244 -2.129 -4.537 1.00 0.00 N ATOM 280 CA ALA A 384 4.206 -3.076 -4.923 1.00 0.00 C ATOM 281 C ALA A 384 2.844 -2.396 -5.004 1.00 0.00 C ATOM 282 O ALA A 384 2.421 -1.718 -4.066 1.00 0.00 O ATOM 283 CB ALA A 384 4.161 -4.239 -3.942 1.00 0.00 C ATOM 0 H ALA A 384 5.016 -1.563 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 384 4.450 -3.460 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.381 -4.939 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.124 -4.749 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 384 3.945 -3.863 -2.942 1.00 0.00 H new ATOM 289 N HIS A 385 2.161 -2.580 -6.129 1.00 0.00 N ATOM 290 CA HIS A 385 0.846 -1.983 -6.332 1.00 0.00 C ATOM 291 C HIS A 385 -0.221 -3.062 -6.491 1.00 0.00 C ATOM 292 O HIS A 385 -0.159 -3.882 -7.408 1.00 0.00 O ATOM 293 CB HIS A 385 0.858 -1.076 -7.562 1.00 0.00 C ATOM 294 CG HIS A 385 1.693 0.156 -7.389 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.289 0.815 -8.444 1.00 0.00 N ATOM 296 CD2 HIS A 385 2.029 0.849 -6.276 1.00 0.00 C ATOM 297 CE1 HIS A 385 2.957 1.859 -7.987 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.815 1.902 -6.674 1.00 0.00 N ATOM 0 H HIS A 385 2.496 -3.138 -6.914 1.00 0.00 H new ATOM 0 HA HIS A 385 0.606 -1.385 -5.453 1.00 0.00 H new ATOM 0 HB2 HIS A 385 1.231 -1.641 -8.416 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.165 -0.782 -7.796 1.00 0.00 H new ATOM 0 HD1 HIS A 385 2.224 0.539 -9.424 1.00 0.00 H new ATOM 0 HD2 HIS A 385 1.734 0.617 -5.263 1.00 0.00 H new ATOM 0 HE1 HIS A 385 3.523 2.558 -8.585 1.00 0.00 H new ATOM 306 N THR A 386 -1.201 -3.056 -5.592 1.00 0.00 N ATOM 307 CA THR A 386 -2.280 -4.035 -5.632 1.00 0.00 C ATOM 308 C THR A 386 -3.626 -3.380 -5.343 1.00 0.00 C ATOM 309 O THR A 386 -3.689 -2.236 -4.893 1.00 0.00 O ATOM 310 CB THR A 386 -2.046 -5.171 -4.619 1.00 0.00 C ATOM 311 OG1 THR A 386 -1.969 -4.636 -3.292 1.00 0.00 O ATOM 312 CG2 THR A 386 -0.767 -5.929 -4.941 1.00 0.00 C ATOM 0 H THR A 386 -1.269 -2.384 -4.828 1.00 0.00 H new ATOM 0 HA THR A 386 -2.291 -4.453 -6.638 1.00 0.00 H new ATOM 0 HB THR A 386 -2.885 -5.864 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 386 -1.822 -5.365 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 386 -0.623 -6.726 -4.212 1.00 0.00 H new ATOM 0 HG22 THR A 386 -0.841 -6.360 -5.940 1.00 0.00 H new ATOM 0 HG23 THR A 386 0.081 -5.245 -4.903 1.00 0.00 H new ATOM 320 N LYS A 387 -4.704 -4.114 -5.603 1.00 0.00 N ATOM 321 CA LYS A 387 -6.050 -3.606 -5.369 1.00 0.00 C ATOM 322 C LYS A 387 -6.868 -4.593 -4.543 1.00 0.00 C ATOM 323 O LYS A 387 -7.103 -5.726 -4.966 1.00 0.00 O ATOM 324 CB LYS A 387 -6.753 -3.333 -6.701 1.00 0.00 C ATOM 325 CG LYS A 387 -7.280 -4.587 -7.379 1.00 0.00 C ATOM 326 CD LYS A 387 -7.759 -4.298 -8.791 1.00 0.00 C ATOM 327 CE LYS A 387 -9.225 -3.890 -8.810 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.645 -3.391 -10.148 1.00 0.00 N ATOM 0 H LYS A 387 -4.671 -5.063 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.968 -2.673 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.582 -2.646 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.057 -2.832 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -6.496 -5.343 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -8.101 -5.001 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -7.153 -3.503 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -7.618 -5.182 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -9.843 -4.743 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -9.396 -3.114 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -10.650 -3.123 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -9.073 -2.561 -10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.506 -4.139 -10.857 1.00 0.00 H new ATOM 342 N ASP A 388 -7.300 -4.157 -3.366 1.00 0.00 N ATOM 343 CA ASP A 388 -8.095 -5.002 -2.481 1.00 0.00 C ATOM 344 C ASP A 388 -9.266 -5.626 -3.234 1.00 0.00 C ATOM 345 O ASP A 388 -9.626 -5.179 -4.322 1.00 0.00 O ATOM 346 CB ASP A 388 -8.611 -4.190 -1.293 1.00 0.00 C ATOM 347 CG ASP A 388 -8.795 -5.037 -0.049 1.00 0.00 C ATOM 348 OD1 ASP A 388 -9.056 -6.250 -0.190 1.00 0.00 O ATOM 349 OD2 ASP A 388 -8.678 -4.487 1.066 1.00 0.00 O ATOM 0 H ASP A 388 -7.114 -3.223 -3.001 1.00 0.00 H new ATOM 0 HA ASP A 388 -7.455 -5.803 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -7.912 -3.381 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.562 -3.728 -1.558 1.00 0.00 H new ATOM 354 N ALA A 389 -9.855 -6.663 -2.646 1.00 0.00 N ATOM 355 CA ALA A 389 -10.985 -7.348 -3.261 1.00 0.00 C ATOM 356 C ALA A 389 -12.306 -6.862 -2.674 1.00 0.00 C ATOM 357 O ALA A 389 -13.302 -6.737 -3.385 1.00 0.00 O ATOM 358 CB ALA A 389 -10.849 -8.853 -3.084 1.00 0.00 C ATOM 0 H ALA A 389 -9.568 -7.046 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 389 -10.983 -7.117 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -11.700 -9.352 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -9.927 -9.193 -3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -10.823 -9.093 -2.021 1.00 0.00 H new ATOM 364 N GLU A 390 -12.306 -6.590 -1.373 1.00 0.00 N ATOM 365 CA GLU A 390 -13.507 -6.119 -0.692 1.00 0.00 C ATOM 366 C GLU A 390 -13.983 -4.795 -1.281 1.00 0.00 C ATOM 367 O GLU A 390 -15.104 -4.690 -1.779 1.00 0.00 O ATOM 368 CB GLU A 390 -13.239 -5.957 0.806 1.00 0.00 C ATOM 369 CG GLU A 390 -14.422 -5.397 1.579 1.00 0.00 C ATOM 370 CD GLU A 390 -15.732 -6.063 1.202 1.00 0.00 C ATOM 371 OE1 GLU A 390 -15.712 -7.267 0.873 1.00 0.00 O ATOM 372 OE2 GLU A 390 -16.776 -5.379 1.237 1.00 0.00 O ATOM 0 H GLU A 390 -11.489 -6.687 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 390 -14.291 -6.863 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -12.968 -6.926 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -12.381 -5.299 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -14.247 -5.526 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -14.497 -4.325 1.395 1.00 0.00 H new ATOM 379 N THR A 391 -13.122 -3.783 -1.220 1.00 0.00 N ATOM 380 CA THR A 391 -13.454 -2.465 -1.745 1.00 0.00 C ATOM 381 C THR A 391 -13.070 -2.347 -3.216 1.00 0.00 C ATOM 382 O THR A 391 -13.934 -2.257 -4.088 1.00 0.00 O ATOM 383 CB THR A 391 -12.748 -1.350 -0.951 1.00 0.00 C ATOM 384 OG1 THR A 391 -11.331 -1.431 -1.145 1.00 0.00 O ATOM 385 CG2 THR A 391 -13.068 -1.456 0.532 1.00 0.00 C ATOM 0 H THR A 391 -12.190 -3.852 -0.812 1.00 0.00 H new ATOM 0 HA THR A 391 -14.533 -2.346 -1.643 1.00 0.00 H new ATOM 0 HB THR A 391 -13.110 -0.389 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 391 -10.890 -0.717 -0.638 1.00 0.00 H new ATOM 0 HG21 THR A 391 -12.558 -0.658 1.072 1.00 0.00 H new ATOM 0 HG22 THR A 391 -14.144 -1.364 0.680 1.00 0.00 H new ATOM 0 HG23 THR A 391 -12.731 -2.422 0.909 1.00 0.00 H new ATOM 393 N GLY A 392 -11.768 -2.348 -3.485 1.00 0.00 N ATOM 394 CA GLY A 392 -11.293 -2.241 -4.852 1.00 0.00 C ATOM 395 C GLY A 392 -10.708 -0.877 -5.158 1.00 0.00 C ATOM 396 O GLY A 392 -11.151 -0.197 -6.083 1.00 0.00 O ATOM 0 H GLY A 392 -11.034 -2.421 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -10.537 -3.006 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -12.117 -2.441 -5.536 1.00 0.00 H new ATOM 400 N GLU A 393 -9.710 -0.474 -4.377 1.00 0.00 N ATOM 401 CA GLU A 393 -9.065 0.820 -4.568 1.00 0.00 C ATOM 402 C GLU A 393 -7.574 0.650 -4.840 1.00 0.00 C ATOM 403 O GLU A 393 -6.994 -0.395 -4.546 1.00 0.00 O ATOM 404 CB GLU A 393 -9.273 1.704 -3.337 1.00 0.00 C ATOM 405 CG GLU A 393 -10.594 2.455 -3.342 1.00 0.00 C ATOM 406 CD GLU A 393 -10.755 3.360 -2.136 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.337 2.956 -1.031 1.00 0.00 O ATOM 408 OE2 GLU A 393 -11.298 4.473 -2.297 1.00 0.00 O ATOM 0 H GLU A 393 -9.331 -1.025 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.521 1.301 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.221 1.084 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.456 2.423 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -10.665 3.052 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.415 1.738 -3.366 1.00 0.00 H new ATOM 415 N GLU A 394 -6.959 1.684 -5.405 1.00 0.00 N ATOM 416 CA GLU A 394 -5.536 1.649 -5.719 1.00 0.00 C ATOM 417 C GLU A 394 -4.698 1.627 -4.444 1.00 0.00 C ATOM 418 O GLU A 394 -4.384 2.673 -3.876 1.00 0.00 O ATOM 419 CB GLU A 394 -5.149 2.856 -6.575 1.00 0.00 C ATOM 420 CG GLU A 394 -5.914 2.944 -7.885 1.00 0.00 C ATOM 421 CD GLU A 394 -7.331 3.451 -7.701 1.00 0.00 C ATOM 422 OE1 GLU A 394 -7.561 4.244 -6.764 1.00 0.00 O ATOM 423 OE2 GLU A 394 -8.210 3.054 -8.494 1.00 0.00 O ATOM 0 H GLU A 394 -7.424 2.557 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.337 0.736 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -5.321 3.767 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -4.081 2.811 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -5.382 3.605 -8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -5.942 1.959 -8.352 1.00 0.00 H new ATOM 430 N VAL A 395 -4.340 0.426 -3.998 1.00 0.00 N ATOM 431 CA VAL A 395 -3.539 0.266 -2.791 1.00 0.00 C ATOM 432 C VAL A 395 -2.050 0.269 -3.115 1.00 0.00 C ATOM 433 O VAL A 395 -1.520 -0.698 -3.664 1.00 0.00 O ATOM 434 CB VAL A 395 -3.891 -1.039 -2.053 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.026 -1.200 -0.811 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.368 -1.065 -1.691 1.00 0.00 C ATOM 0 H VAL A 395 -4.593 -0.450 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.768 1.113 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.689 -1.878 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.289 -2.128 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.976 -1.230 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.193 -0.358 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.599 -1.994 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.599 -0.219 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -5.967 -1.000 -2.600 1.00 0.00 H new ATOM 446 N THR A 396 -1.376 1.363 -2.772 1.00 0.00 N ATOM 447 CA THR A 396 0.053 1.492 -3.027 1.00 0.00 C ATOM 448 C THR A 396 0.870 0.996 -1.840 1.00 0.00 C ATOM 449 O THR A 396 0.652 1.418 -0.704 1.00 0.00 O ATOM 450 CB THR A 396 0.440 2.952 -3.328 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.361 3.460 -4.402 1.00 0.00 O ATOM 452 CG2 THR A 396 1.912 3.057 -3.695 1.00 0.00 C ATOM 0 H THR A 396 -1.798 2.172 -2.317 1.00 0.00 H new ATOM 0 HA THR A 396 0.275 0.878 -3.900 1.00 0.00 H new ATOM 0 HB THR A 396 0.262 3.544 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.110 4.389 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.162 4.097 -3.903 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.520 2.697 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.110 2.452 -4.580 1.00 0.00 H new ATOM 460 N HIS A 397 1.813 0.099 -2.110 1.00 0.00 N ATOM 461 CA HIS A 397 2.665 -0.453 -1.062 1.00 0.00 C ATOM 462 C HIS A 397 4.139 -0.231 -1.388 1.00 0.00 C ATOM 463 O HIS A 397 4.553 -0.341 -2.542 1.00 0.00 O ATOM 464 CB HIS A 397 2.389 -1.947 -0.886 1.00 0.00 C ATOM 465 CG HIS A 397 1.304 -2.243 0.103 1.00 0.00 C ATOM 466 ND1 HIS A 397 1.346 -2.872 1.301 1.00 0.00 N flip ATOM 467 CD2 HIS A 397 -0.012 -1.881 -0.092 1.00 0.00 C flip ATOM 468 CE1 HIS A 397 0.067 -2.877 1.803 1.00 0.00 C flip ATOM 469 NE2 HIS A 397 -0.733 -2.273 0.943 1.00 0.00 N flip ATOM 0 H HIS A 397 2.007 -0.261 -3.045 1.00 0.00 H new ATOM 0 HA HIS A 397 2.435 0.064 -0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.116 -2.374 -1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.306 -2.442 -0.566 1.00 0.00 H new ATOM 0 HD1 HIS A 397 2.173 -3.268 1.748 1.00 0.00 H new ATOM 0 HD2 HIS A 397 -0.394 -1.358 -0.956 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -0.235 -3.305 2.747 1.00 0.00 H new ATOM 477 N TYR A 398 4.925 0.082 -0.364 1.00 0.00 N ATOM 478 CA TYR A 398 6.352 0.322 -0.541 1.00 0.00 C ATOM 479 C TYR A 398 7.173 -0.552 0.401 1.00 0.00 C ATOM 480 O TYR A 398 7.035 -0.470 1.622 1.00 0.00 O ATOM 481 CB TYR A 398 6.676 1.797 -0.298 1.00 0.00 C ATOM 482 CG TYR A 398 6.253 2.705 -1.431 1.00 0.00 C ATOM 483 CD1 TYR A 398 7.006 2.793 -2.595 1.00 0.00 C ATOM 484 CD2 TYR A 398 5.099 3.473 -1.338 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.623 3.622 -3.632 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.708 4.303 -2.370 1.00 0.00 C ATOM 487 CZ TYR A 398 5.473 4.375 -3.515 1.00 0.00 C ATOM 488 OH TYR A 398 5.088 5.200 -4.547 1.00 0.00 O ATOM 0 H TYR A 398 4.598 0.175 0.598 1.00 0.00 H new ATOM 0 HA TYR A 398 6.613 0.063 -1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 398 6.185 2.122 0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.749 1.903 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 398 7.906 2.204 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.497 3.420 -0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.221 3.680 -4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.808 4.893 -2.281 1.00 0.00 H new ATOM 0 HH TYR A 398 4.256 5.659 -4.306 1.00 0.00 H new ATOM 498 N LEU A 399 8.029 -1.389 -0.175 1.00 0.00 N ATOM 499 CA LEU A 399 8.875 -2.280 0.612 1.00 0.00 C ATOM 500 C LEU A 399 9.924 -1.490 1.388 1.00 0.00 C ATOM 501 O LEU A 399 10.917 -1.034 0.822 1.00 0.00 O ATOM 502 CB LEU A 399 9.559 -3.302 -0.298 1.00 0.00 C ATOM 503 CG LEU A 399 10.380 -4.383 0.405 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.480 -5.272 1.250 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.150 -5.213 -0.611 1.00 0.00 C ATOM 0 H LEU A 399 8.156 -1.469 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 399 8.241 -2.806 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.794 -3.790 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.214 -2.766 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 399 11.098 -3.896 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.082 -6.036 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 399 8.974 -4.667 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.738 -5.751 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.729 -5.977 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.450 -5.690 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.824 -4.567 -1.173 1.00 0.00 H new ATOM 517 N VAL A 400 9.697 -1.335 2.689 1.00 0.00 N ATOM 518 CA VAL A 400 10.624 -0.603 3.544 1.00 0.00 C ATOM 519 C VAL A 400 11.771 -1.497 4.002 1.00 0.00 C ATOM 520 O VAL A 400 11.558 -2.499 4.685 1.00 0.00 O ATOM 521 CB VAL A 400 9.911 -0.027 4.781 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.885 0.770 5.637 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.729 0.835 4.362 1.00 0.00 C ATOM 0 H VAL A 400 8.880 -1.706 3.173 1.00 0.00 H new ATOM 0 HA VAL A 400 11.023 0.219 2.949 1.00 0.00 H new ATOM 0 HB VAL A 400 9.533 -0.856 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.363 1.169 6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.695 0.120 5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.295 1.592 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.237 1.234 5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.081 1.659 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.021 0.231 3.795 1.00 0.00 H new ATOM 533 N LYS A 401 12.990 -1.127 3.624 1.00 0.00 N ATOM 534 CA LYS A 401 14.173 -1.893 3.997 1.00 0.00 C ATOM 535 C LYS A 401 14.890 -1.247 5.178 1.00 0.00 C ATOM 536 O LYS A 401 15.580 -0.240 5.022 1.00 0.00 O ATOM 537 CB LYS A 401 15.129 -2.006 2.807 1.00 0.00 C ATOM 538 CG LYS A 401 16.503 -2.536 3.178 1.00 0.00 C ATOM 539 CD LYS A 401 16.418 -3.922 3.795 1.00 0.00 C ATOM 540 CE LYS A 401 17.736 -4.328 4.437 1.00 0.00 C ATOM 541 NZ LYS A 401 17.533 -5.275 5.568 1.00 0.00 N ATOM 0 H LYS A 401 13.184 -0.300 3.059 1.00 0.00 H new ATOM 0 HA LYS A 401 13.850 -2.891 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.686 -2.662 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.240 -1.024 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 401 17.133 -2.570 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.980 -1.853 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 401 15.626 -3.940 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.147 -4.647 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 401 18.378 -4.790 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 401 18.254 -3.439 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 18.454 -5.528 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 16.941 -4.825 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 17.061 -6.134 5.221 1.00 0.00 H new ATOM 555 N TRP A 402 14.722 -1.834 6.358 1.00 0.00 N ATOM 556 CA TRP A 402 15.355 -1.315 7.565 1.00 0.00 C ATOM 557 C TRP A 402 16.264 -2.363 8.197 1.00 0.00 C ATOM 558 O TRP A 402 15.809 -3.209 8.968 1.00 0.00 O ATOM 559 CB TRP A 402 14.292 -0.871 8.572 1.00 0.00 C ATOM 560 CG TRP A 402 13.103 -1.781 8.620 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.074 -3.110 8.306 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.769 -1.429 9.004 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.803 -3.605 8.472 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.984 -2.594 8.899 1.00 0.00 C ATOM 565 CE3 TRP A 402 11.162 -0.243 9.427 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.625 -2.605 9.202 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.813 -0.256 9.726 1.00 0.00 C ATOM 568 CH2 TRP A 402 9.056 -1.430 9.613 1.00 0.00 C ATOM 0 H TRP A 402 14.154 -2.668 6.504 1.00 0.00 H new ATOM 0 HA TRP A 402 15.963 -0.455 7.285 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.741 -0.819 9.564 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.960 0.136 8.319 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.925 -3.687 7.976 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.516 -4.569 8.304 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.737 0.667 9.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 9.040 -3.509 9.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.333 0.655 10.053 1.00 0.00 H new ATOM 0 HH2 TRP A 402 8.004 -1.407 9.855 1.00 0.00 H new ATOM 579 N CYS A 403 17.549 -2.303 7.865 1.00 0.00 N ATOM 580 CA CYS A 403 18.522 -3.248 8.400 1.00 0.00 C ATOM 581 C CYS A 403 18.186 -3.618 9.841 1.00 0.00 C ATOM 582 O CYS A 403 18.111 -4.796 10.189 1.00 0.00 O ATOM 583 CB CYS A 403 19.931 -2.658 8.328 1.00 0.00 C ATOM 584 SG CYS A 403 20.066 -0.986 9.004 1.00 0.00 S ATOM 0 H CYS A 403 17.941 -1.610 7.228 1.00 0.00 H new ATOM 0 HA CYS A 403 18.483 -4.153 7.793 1.00 0.00 H new ATOM 0 HB2 CYS A 403 20.616 -3.313 8.867 1.00 0.00 H new ATOM 0 HB3 CYS A 403 20.255 -2.645 7.287 1.00 0.00 H new ATOM 0 HG CYS A 403 21.295 -0.574 8.900 1.00 0.00 H new ATOM 590 N SER A 404 17.985 -2.603 10.676 1.00 0.00 N ATOM 591 CA SER A 404 17.662 -2.821 12.081 1.00 0.00 C ATOM 592 C SER A 404 16.828 -4.086 12.257 1.00 0.00 C ATOM 593 O SER A 404 17.091 -4.899 13.144 1.00 0.00 O ATOM 594 CB SER A 404 16.907 -1.616 12.646 1.00 0.00 C ATOM 595 OG SER A 404 15.622 -1.499 12.059 1.00 0.00 O ATOM 0 H SER A 404 18.040 -1.622 10.403 1.00 0.00 H new ATOM 0 HA SER A 404 18.597 -2.944 12.628 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.809 -1.718 13.727 1.00 0.00 H new ATOM 0 HB3 SER A 404 17.478 -0.706 12.463 1.00 0.00 H new ATOM 0 HG SER A 404 15.159 -0.723 12.438 1.00 0.00 H new ATOM 601 N LEU A 405 15.821 -4.246 11.405 1.00 0.00 N ATOM 602 CA LEU A 405 14.947 -5.412 11.464 1.00 0.00 C ATOM 603 C LEU A 405 15.458 -6.524 10.553 1.00 0.00 C ATOM 604 O LEU A 405 16.210 -6.288 9.607 1.00 0.00 O ATOM 605 CB LEU A 405 13.521 -5.026 11.066 1.00 0.00 C ATOM 606 CG LEU A 405 12.678 -4.357 12.152 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.485 -3.642 11.537 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.217 -5.383 13.177 1.00 0.00 C ATOM 0 H LEU A 405 15.590 -3.583 10.665 1.00 0.00 H new ATOM 0 HA LEU A 405 14.944 -5.781 12.490 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.574 -4.354 10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 405 13.002 -5.925 10.734 1.00 0.00 H new ATOM 0 HG LEU A 405 13.296 -3.617 12.661 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.897 -3.172 12.325 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.837 -2.879 10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.865 -4.362 11.002 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.618 -4.889 13.942 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.616 -6.146 12.683 1.00 0.00 H new ATOM 0 HD23 LEU A 405 13.086 -5.850 13.641 1.00 0.00 H new ATOM 620 N PRO A 406 15.041 -7.765 10.842 1.00 0.00 N ATOM 621 CA PRO A 406 15.443 -8.938 10.059 1.00 0.00 C ATOM 622 C PRO A 406 14.819 -8.947 8.668 1.00 0.00 C ATOM 623 O PRO A 406 13.597 -8.952 8.525 1.00 0.00 O ATOM 624 CB PRO A 406 14.919 -10.114 10.887 1.00 0.00 C ATOM 625 CG PRO A 406 13.782 -9.551 11.668 1.00 0.00 C ATOM 626 CD PRO A 406 14.145 -8.120 11.955 1.00 0.00 C ATOM 0 HA PRO A 406 16.519 -8.965 9.889 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.592 -10.934 10.247 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.693 -10.511 11.544 1.00 0.00 H new ATOM 0 HG2 PRO A 406 12.852 -9.612 11.103 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.630 -10.108 12.593 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.263 -7.479 11.981 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.642 -8.017 12.920 1.00 0.00 H new ATOM 634 N TYR A 407 15.667 -8.948 7.645 1.00 0.00 N ATOM 635 CA TYR A 407 15.199 -8.955 6.264 1.00 0.00 C ATOM 636 C TYR A 407 13.979 -9.858 6.107 1.00 0.00 C ATOM 637 O TYR A 407 12.937 -9.430 5.613 1.00 0.00 O ATOM 638 CB TYR A 407 16.315 -9.419 5.327 1.00 0.00 C ATOM 639 CG TYR A 407 15.898 -9.485 3.875 1.00 0.00 C ATOM 640 CD1 TYR A 407 15.302 -8.395 3.253 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.100 -10.637 3.126 1.00 0.00 C ATOM 642 CE1 TYR A 407 14.919 -8.451 1.927 1.00 0.00 C ATOM 643 CE2 TYR A 407 15.721 -10.702 1.799 1.00 0.00 C ATOM 644 CZ TYR A 407 15.131 -9.606 1.204 1.00 0.00 C ATOM 645 OH TYR A 407 14.751 -9.667 -0.117 1.00 0.00 O ATOM 0 H TYR A 407 16.682 -8.944 7.746 1.00 0.00 H new ATOM 0 HA TYR A 407 14.912 -7.937 5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.163 -8.741 5.422 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.657 -10.404 5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 407 15.135 -7.488 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.561 -11.497 3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 407 14.456 -7.595 1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.886 -11.606 1.231 1.00 0.00 H new ATOM 0 HH TYR A 407 14.972 -10.550 -0.481 1.00 0.00 H new ATOM 655 N GLU A 408 14.119 -11.110 6.531 1.00 0.00 N ATOM 656 CA GLU A 408 13.029 -12.074 6.437 1.00 0.00 C ATOM 657 C GLU A 408 11.684 -11.401 6.695 1.00 0.00 C ATOM 658 O GLU A 408 10.695 -11.690 6.021 1.00 0.00 O ATOM 659 CB GLU A 408 13.241 -13.215 7.435 1.00 0.00 C ATOM 660 CG GLU A 408 12.111 -14.231 7.445 1.00 0.00 C ATOM 661 CD GLU A 408 12.222 -15.214 8.595 1.00 0.00 C ATOM 662 OE1 GLU A 408 13.296 -15.832 8.747 1.00 0.00 O ATOM 663 OE2 GLU A 408 11.233 -15.365 9.342 1.00 0.00 O ATOM 0 H GLU A 408 14.976 -11.480 6.943 1.00 0.00 H new ATOM 0 HA GLU A 408 13.024 -12.481 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 408 14.175 -13.725 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 408 13.351 -12.796 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 408 11.157 -13.708 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 408 12.111 -14.778 6.502 1.00 0.00 H new ATOM 670 N GLU A 409 11.656 -10.503 7.674 1.00 0.00 N ATOM 671 CA GLU A 409 10.432 -9.790 8.021 1.00 0.00 C ATOM 672 C GLU A 409 10.286 -8.521 7.186 1.00 0.00 C ATOM 673 O GLU A 409 9.854 -7.483 7.686 1.00 0.00 O ATOM 674 CB GLU A 409 10.426 -9.437 9.510 1.00 0.00 C ATOM 675 CG GLU A 409 10.065 -10.606 10.411 1.00 0.00 C ATOM 676 CD GLU A 409 8.759 -11.267 10.014 1.00 0.00 C ATOM 677 OE1 GLU A 409 7.719 -10.575 10.019 1.00 0.00 O ATOM 678 OE2 GLU A 409 8.777 -12.475 9.699 1.00 0.00 O ATOM 0 H GLU A 409 12.466 -10.252 8.241 1.00 0.00 H new ATOM 0 HA GLU A 409 9.587 -10.445 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.411 -9.064 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.718 -8.626 9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.866 -11.345 10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 409 9.993 -10.257 11.441 1.00 0.00 H new ATOM 685 N SER A 410 10.650 -8.614 5.911 1.00 0.00 N ATOM 686 CA SER A 410 10.564 -7.473 5.007 1.00 0.00 C ATOM 687 C SER A 410 9.109 -7.117 4.718 1.00 0.00 C ATOM 688 O SER A 410 8.448 -7.764 3.905 1.00 0.00 O ATOM 689 CB SER A 410 11.296 -7.777 3.698 1.00 0.00 C ATOM 690 OG SER A 410 12.656 -7.388 3.772 1.00 0.00 O ATOM 0 H SER A 410 11.007 -9.467 5.481 1.00 0.00 H new ATOM 0 HA SER A 410 11.039 -6.620 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.231 -8.843 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 410 10.809 -7.253 2.875 1.00 0.00 H new ATOM 0 HG SER A 410 13.202 -8.005 3.241 1.00 0.00 H new ATOM 696 N THR A 411 8.614 -6.083 5.392 1.00 0.00 N ATOM 697 CA THR A 411 7.237 -5.640 5.210 1.00 0.00 C ATOM 698 C THR A 411 7.155 -4.500 4.202 1.00 0.00 C ATOM 699 O THR A 411 8.173 -3.924 3.818 1.00 0.00 O ATOM 700 CB THR A 411 6.615 -5.180 6.542 1.00 0.00 C ATOM 701 OG1 THR A 411 5.237 -4.841 6.348 1.00 0.00 O ATOM 702 CG2 THR A 411 7.363 -3.979 7.102 1.00 0.00 C ATOM 0 H THR A 411 9.147 -5.537 6.069 1.00 0.00 H new ATOM 0 HA THR A 411 6.676 -6.495 4.832 1.00 0.00 H new ATOM 0 HB THR A 411 6.690 -6.001 7.255 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.848 -4.551 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.906 -3.672 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.405 -4.248 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.315 -3.156 6.389 1.00 0.00 H new ATOM 710 N TRP A 412 5.938 -4.179 3.778 1.00 0.00 N ATOM 711 CA TRP A 412 5.724 -3.105 2.814 1.00 0.00 C ATOM 712 C TRP A 412 4.830 -2.018 3.400 1.00 0.00 C ATOM 713 O TRP A 412 3.606 -2.083 3.291 1.00 0.00 O ATOM 714 CB TRP A 412 5.100 -3.659 1.533 1.00 0.00 C ATOM 715 CG TRP A 412 5.916 -4.743 0.895 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.253 -5.946 1.444 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.499 -4.719 -0.413 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.011 -6.673 0.557 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.175 -5.942 -0.590 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.515 -3.784 -1.452 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.859 -6.252 -1.762 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.194 -4.093 -2.615 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.858 -5.318 -2.763 1.00 0.00 C ATOM 0 H TRP A 412 5.085 -4.646 4.086 1.00 0.00 H new ATOM 0 HA TRP A 412 6.693 -2.665 2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.107 -4.047 1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 412 4.969 -2.845 0.820 1.00 0.00 H new ATOM 0 HD1 TRP A 412 5.966 -6.278 2.431 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.390 -7.605 0.725 1.00 0.00 H new ATOM 0 HE3 TRP A 412 6.006 -2.837 -1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.372 -7.195 -1.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.213 -3.378 -3.424 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.379 -5.530 -3.685 1.00 0.00 H new ATOM 734 N GLU A 413 5.450 -1.019 4.022 1.00 0.00 N ATOM 735 CA GLU A 413 4.708 0.082 4.625 1.00 0.00 C ATOM 736 C GLU A 413 4.050 0.946 3.554 1.00 0.00 C ATOM 737 O GLU A 413 4.651 1.238 2.519 1.00 0.00 O ATOM 738 CB GLU A 413 5.636 0.939 5.489 1.00 0.00 C ATOM 739 CG GLU A 413 6.314 0.165 6.607 1.00 0.00 C ATOM 740 CD GLU A 413 5.501 0.158 7.887 1.00 0.00 C ATOM 741 OE1 GLU A 413 4.258 0.073 7.799 1.00 0.00 O ATOM 742 OE2 GLU A 413 6.107 0.239 8.976 1.00 0.00 O ATOM 0 H GLU A 413 6.463 -0.950 4.121 1.00 0.00 H new ATOM 0 HA GLU A 413 3.926 -0.343 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.400 1.386 4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 413 5.062 1.758 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.483 -0.862 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 413 7.293 0.602 6.805 1.00 0.00 H new ATOM 749 N LEU A 414 2.811 1.353 3.809 1.00 0.00 N ATOM 750 CA LEU A 414 2.069 2.184 2.867 1.00 0.00 C ATOM 751 C LEU A 414 2.727 3.551 2.712 1.00 0.00 C ATOM 752 O LEU A 414 3.420 4.023 3.613 1.00 0.00 O ATOM 753 CB LEU A 414 0.623 2.352 3.335 1.00 0.00 C ATOM 754 CG LEU A 414 -0.121 1.064 3.692 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.476 1.383 4.303 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.283 0.183 2.461 1.00 0.00 C ATOM 0 H LEU A 414 2.299 1.121 4.660 1.00 0.00 H new ATOM 0 HA LEU A 414 2.075 1.686 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.618 3.005 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 414 0.066 2.865 2.551 1.00 0.00 H new ATOM 0 HG LEU A 414 0.468 0.519 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -1.991 0.455 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.337 1.974 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.073 1.950 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -0.814 -0.729 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -0.850 0.720 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.700 -0.074 2.066 1.00 0.00 H new ATOM 768 N GLU A 415 2.504 4.183 1.564 1.00 0.00 N ATOM 769 CA GLU A 415 3.075 5.497 1.292 1.00 0.00 C ATOM 770 C GLU A 415 2.910 6.421 2.495 1.00 0.00 C ATOM 771 O GLU A 415 3.796 7.216 2.806 1.00 0.00 O ATOM 772 CB GLU A 415 2.413 6.120 0.061 1.00 0.00 C ATOM 773 CG GLU A 415 3.172 7.310 -0.501 1.00 0.00 C ATOM 774 CD GLU A 415 2.753 8.622 0.133 1.00 0.00 C ATOM 775 OE1 GLU A 415 2.200 8.592 1.252 1.00 0.00 O ATOM 776 OE2 GLU A 415 2.978 9.681 -0.491 1.00 0.00 O ATOM 0 H GLU A 415 1.932 3.807 0.808 1.00 0.00 H new ATOM 0 HA GLU A 415 4.140 5.369 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.320 5.360 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.403 6.435 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 415 4.241 7.161 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.011 7.363 -1.578 1.00 0.00 H new ATOM 783 N GLU A 416 1.768 6.310 3.167 1.00 0.00 N ATOM 784 CA GLU A 416 1.486 7.137 4.334 1.00 0.00 C ATOM 785 C GLU A 416 2.627 7.058 5.345 1.00 0.00 C ATOM 786 O GLU A 416 3.217 8.074 5.712 1.00 0.00 O ATOM 787 CB GLU A 416 0.176 6.700 4.992 1.00 0.00 C ATOM 788 CG GLU A 416 -1.064 7.230 4.292 1.00 0.00 C ATOM 789 CD GLU A 416 -1.173 8.741 4.363 1.00 0.00 C ATOM 790 OE1 GLU A 416 -1.071 9.290 5.480 1.00 0.00 O ATOM 791 OE2 GLU A 416 -1.361 9.373 3.303 1.00 0.00 O ATOM 0 H GLU A 416 1.024 5.656 2.923 1.00 0.00 H new ATOM 0 HA GLU A 416 1.389 8.170 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 416 0.135 5.611 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 416 0.170 7.037 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -1.048 6.919 3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.950 6.784 4.743 1.00 0.00 H new ATOM 798 N ASP A 417 2.931 5.844 5.791 1.00 0.00 N ATOM 799 CA ASP A 417 4.000 5.631 6.759 1.00 0.00 C ATOM 800 C ASP A 417 5.346 6.063 6.186 1.00 0.00 C ATOM 801 O ASP A 417 6.146 6.706 6.866 1.00 0.00 O ATOM 802 CB ASP A 417 4.057 4.160 7.173 1.00 0.00 C ATOM 803 CG ASP A 417 5.091 3.901 8.251 1.00 0.00 C ATOM 804 OD1 ASP A 417 4.965 4.485 9.347 1.00 0.00 O ATOM 805 OD2 ASP A 417 6.026 3.113 7.998 1.00 0.00 O ATOM 0 H ASP A 417 2.452 4.993 5.497 1.00 0.00 H new ATOM 0 HA ASP A 417 3.787 6.240 7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.076 3.849 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.286 3.549 6.300 1.00 0.00 H new ATOM 810 N VAL A 418 5.591 5.704 4.929 1.00 0.00 N ATOM 811 CA VAL A 418 6.840 6.054 4.264 1.00 0.00 C ATOM 812 C VAL A 418 6.846 7.519 3.841 1.00 0.00 C ATOM 813 O VAL A 418 6.124 7.914 2.925 1.00 0.00 O ATOM 814 CB VAL A 418 7.082 5.172 3.024 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.354 5.597 2.306 1.00 0.00 C ATOM 816 CG2 VAL A 418 7.148 3.705 3.419 1.00 0.00 C ATOM 0 H VAL A 418 4.941 5.171 4.352 1.00 0.00 H new ATOM 0 HA VAL A 418 7.640 5.884 4.984 1.00 0.00 H new ATOM 0 HB VAL A 418 6.245 5.303 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.508 4.963 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.263 6.636 1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 418 9.204 5.497 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.319 3.096 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.965 3.555 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 418 6.207 3.411 3.884 1.00 0.00 H new ATOM 826 N ASP A 419 7.664 8.320 4.514 1.00 0.00 N ATOM 827 CA ASP A 419 7.765 9.742 4.207 1.00 0.00 C ATOM 828 C ASP A 419 7.929 9.964 2.707 1.00 0.00 C ATOM 829 O ASP A 419 8.435 9.109 1.979 1.00 0.00 O ATOM 830 CB ASP A 419 8.942 10.365 4.959 1.00 0.00 C ATOM 831 CG ASP A 419 8.779 10.280 6.464 1.00 0.00 C ATOM 832 OD1 ASP A 419 8.831 9.156 7.003 1.00 0.00 O ATOM 833 OD2 ASP A 419 8.597 11.339 7.102 1.00 0.00 O ATOM 0 H ASP A 419 8.267 8.009 5.276 1.00 0.00 H new ATOM 0 HA ASP A 419 6.842 10.224 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 419 9.863 9.861 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 419 9.044 11.410 4.666 1.00 0.00 H new ATOM 838 N PRO A 420 7.491 11.139 2.231 1.00 0.00 N ATOM 839 CA PRO A 420 7.577 11.501 0.813 1.00 0.00 C ATOM 840 C PRO A 420 9.014 11.743 0.363 1.00 0.00 C ATOM 841 O PRO A 420 9.340 11.589 -0.813 1.00 0.00 O ATOM 842 CB PRO A 420 6.764 12.795 0.726 1.00 0.00 C ATOM 843 CG PRO A 420 6.830 13.375 2.097 1.00 0.00 C ATOM 844 CD PRO A 420 6.877 12.205 3.040 1.00 0.00 C ATOM 0 HA PRO A 420 7.207 10.705 0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.183 13.477 -0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 420 5.734 12.597 0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 420 7.712 14.005 2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 420 5.962 14.003 2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.469 12.428 3.927 1.00 0.00 H new ATOM 0 HD3 PRO A 420 5.881 11.926 3.384 1.00 0.00 H new ATOM 852 N ALA A 421 9.869 12.122 1.308 1.00 0.00 N ATOM 853 CA ALA A 421 11.271 12.383 1.008 1.00 0.00 C ATOM 854 C ALA A 421 11.992 11.104 0.598 1.00 0.00 C ATOM 855 O ALA A 421 12.727 11.082 -0.390 1.00 0.00 O ATOM 856 CB ALA A 421 11.958 13.016 2.209 1.00 0.00 C ATOM 0 H ALA A 421 9.615 12.255 2.287 1.00 0.00 H new ATOM 0 HA ALA A 421 11.314 13.078 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.005 13.206 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.466 13.957 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 421 11.896 12.340 3.062 1.00 0.00 H new ATOM 862 N LYS A 422 11.779 10.038 1.363 1.00 0.00 N ATOM 863 CA LYS A 422 12.408 8.754 1.079 1.00 0.00 C ATOM 864 C LYS A 422 12.020 8.253 -0.308 1.00 0.00 C ATOM 865 O LYS A 422 12.879 7.875 -1.105 1.00 0.00 O ATOM 866 CB LYS A 422 12.007 7.722 2.136 1.00 0.00 C ATOM 867 CG LYS A 422 12.579 8.008 3.513 1.00 0.00 C ATOM 868 CD LYS A 422 14.047 7.626 3.598 1.00 0.00 C ATOM 869 CE LYS A 422 14.224 6.121 3.735 1.00 0.00 C ATOM 870 NZ LYS A 422 15.549 5.670 3.227 1.00 0.00 N ATOM 0 H LYS A 422 11.175 10.039 2.185 1.00 0.00 H new ATOM 0 HA LYS A 422 13.489 8.893 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 422 10.920 7.687 2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.338 6.735 1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 422 12.464 9.067 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.014 7.456 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.567 7.975 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.506 8.127 4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 422 14.121 5.837 4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 422 13.432 5.611 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 15.792 4.754 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 15.508 5.568 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 16.274 6.372 3.477 1.00 0.00 H new ATOM 884 N VAL A 423 10.721 8.253 -0.591 1.00 0.00 N ATOM 885 CA VAL A 423 10.220 7.802 -1.884 1.00 0.00 C ATOM 886 C VAL A 423 10.865 8.579 -3.026 1.00 0.00 C ATOM 887 O VAL A 423 11.266 8.002 -4.037 1.00 0.00 O ATOM 888 CB VAL A 423 8.690 7.950 -1.976 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.193 7.519 -3.347 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.010 7.148 -0.877 1.00 0.00 C ATOM 0 H VAL A 423 9.997 8.560 0.058 1.00 0.00 H new ATOM 0 HA VAL A 423 10.481 6.748 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 423 8.435 9.001 -1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.110 7.631 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.655 8.141 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.458 6.476 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 423 6.929 7.264 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.270 6.095 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.342 7.510 0.096 1.00 0.00 H new ATOM 900 N LYS A 424 10.962 9.894 -2.858 1.00 0.00 N ATOM 901 CA LYS A 424 11.560 10.753 -3.873 1.00 0.00 C ATOM 902 C LYS A 424 12.903 10.196 -4.335 1.00 0.00 C ATOM 903 O LYS A 424 13.163 10.094 -5.533 1.00 0.00 O ATOM 904 CB LYS A 424 11.744 12.170 -3.327 1.00 0.00 C ATOM 905 CG LYS A 424 11.733 13.243 -4.402 1.00 0.00 C ATOM 906 CD LYS A 424 13.035 13.261 -5.185 1.00 0.00 C ATOM 907 CE LYS A 424 13.100 14.451 -6.131 1.00 0.00 C ATOM 908 NZ LYS A 424 13.242 15.737 -5.395 1.00 0.00 N ATOM 0 H LYS A 424 10.634 10.388 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 424 10.886 10.785 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.951 12.379 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.688 12.221 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 424 10.900 13.068 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 424 11.570 14.218 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 424 13.876 13.298 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 424 13.131 12.336 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 424 13.942 14.328 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 424 12.197 14.480 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 13.519 16.488 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 12.335 15.985 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 13.972 15.638 -4.661 1.00 0.00 H new ATOM 922 N GLU A 425 13.751 9.837 -3.376 1.00 0.00 N ATOM 923 CA GLU A 425 15.066 9.290 -3.687 1.00 0.00 C ATOM 924 C GLU A 425 14.946 8.053 -4.572 1.00 0.00 C ATOM 925 O GLU A 425 15.531 7.991 -5.654 1.00 0.00 O ATOM 926 CB GLU A 425 15.814 8.938 -2.399 1.00 0.00 C ATOM 927 CG GLU A 425 17.326 8.956 -2.548 1.00 0.00 C ATOM 928 CD GLU A 425 18.021 8.039 -1.561 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.462 6.965 -1.255 1.00 0.00 O ATOM 930 OE2 GLU A 425 19.122 8.395 -1.093 1.00 0.00 O ATOM 0 H GLU A 425 13.551 9.915 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 425 15.628 10.050 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.526 9.642 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.502 7.948 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.591 8.659 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.689 9.974 -2.409 1.00 0.00 H new ATOM 937 N PHE A 426 14.184 7.070 -4.105 1.00 0.00 N ATOM 938 CA PHE A 426 13.988 5.833 -4.853 1.00 0.00 C ATOM 939 C PHE A 426 13.550 6.127 -6.284 1.00 0.00 C ATOM 940 O PHE A 426 14.184 5.683 -7.241 1.00 0.00 O ATOM 941 CB PHE A 426 12.946 4.953 -4.159 1.00 0.00 C ATOM 942 CG PHE A 426 12.397 3.867 -5.040 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.140 2.726 -5.300 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.139 3.987 -5.608 1.00 0.00 C ATOM 945 CE1 PHE A 426 12.638 1.725 -6.109 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.632 2.988 -6.418 1.00 0.00 C ATOM 947 CZ PHE A 426 11.382 1.857 -6.670 1.00 0.00 C ATOM 0 H PHE A 426 13.692 7.105 -3.212 1.00 0.00 H new ATOM 0 HA PHE A 426 14.939 5.302 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.395 4.501 -3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.124 5.580 -3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.123 2.618 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.548 4.870 -5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.226 0.840 -6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.649 3.092 -6.854 1.00 0.00 H new ATOM 0 HZ PHE A 426 10.988 1.077 -7.304 1.00 0.00 H new ATOM 957 N GLU A 427 12.462 6.878 -6.422 1.00 0.00 N ATOM 958 CA GLU A 427 11.939 7.230 -7.737 1.00 0.00 C ATOM 959 C GLU A 427 13.000 7.940 -8.572 1.00 0.00 C ATOM 960 O GLU A 427 13.375 7.471 -9.647 1.00 0.00 O ATOM 961 CB GLU A 427 10.704 8.123 -7.596 1.00 0.00 C ATOM 962 CG GLU A 427 9.444 7.363 -7.214 1.00 0.00 C ATOM 963 CD GLU A 427 9.011 6.377 -8.281 1.00 0.00 C ATOM 964 OE1 GLU A 427 9.477 5.219 -8.242 1.00 0.00 O ATOM 965 OE2 GLU A 427 8.208 6.762 -9.156 1.00 0.00 O ATOM 0 H GLU A 427 11.926 7.254 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 427 11.657 6.309 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.901 8.885 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.533 8.643 -8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.616 6.829 -6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 427 8.637 8.073 -7.032 1.00 0.00 H new ATOM 972 N SER A 428 13.480 9.074 -8.071 1.00 0.00 N ATOM 973 CA SER A 428 14.494 9.851 -8.773 1.00 0.00 C ATOM 974 C SER A 428 15.603 8.946 -9.300 1.00 0.00 C ATOM 975 O SER A 428 16.035 9.077 -10.446 1.00 0.00 O ATOM 976 CB SER A 428 15.086 10.913 -7.844 1.00 0.00 C ATOM 977 OG SER A 428 15.640 11.987 -8.585 1.00 0.00 O ATOM 0 H SER A 428 13.183 9.475 -7.181 1.00 0.00 H new ATOM 0 HA SER A 428 14.017 10.344 -9.620 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.311 11.289 -7.176 1.00 0.00 H new ATOM 0 HB3 SER A 428 15.856 10.464 -7.217 1.00 0.00 H new ATOM 0 HG SER A 428 16.010 12.653 -7.969 1.00 0.00 H new