USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS :FLIP no HE2:sc= -1.7 F(o=-2.5!,f=-1.6) USER MOD Set 1.2: A 405 THR OG1 : rot 26:sc= 0.126 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -27:sc= -0.637! USER MOD Single : A 382 ASN :FLIP amide:sc= -2.47 F(o=-6.6!,f=-2.5) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= -0.0831 X(o=-0.083,f=0) USER MOD Single : A 387 ASN : amide:sc=-0.00299 X(o=-0.003,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -164:sc= -0.0577 (180deg=-0.336) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -0.0659 K(o=-0.066,f=-3.5!) USER MOD Single : A 401 ASN : amide:sc= -0.558 K(o=-0.56,f=-1.2!) USER MOD Single : A 402 LYS NZ :NH3+ 166:sc= -1.43 (180deg=-1.8) USER MOD Single : A 403 LYS NZ :NH3+ 169:sc= -0.0315 (180deg=-0.225) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 165:sc= -0.0457 (180deg=-0.306) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.222 5.538 -2.888 1.00 0.00 N ATOM 340 CA GLU A 376 -3.860 5.346 -4.182 1.00 0.00 C ATOM 341 C GLU A 376 -4.876 6.451 -4.453 1.00 0.00 C ATOM 342 O GLU A 376 -4.710 7.586 -4.002 1.00 0.00 O ATOM 343 CB GLU A 376 -4.538 3.972 -4.218 1.00 0.00 C ATOM 344 CG GLU A 376 -3.610 2.830 -3.848 1.00 0.00 C ATOM 345 CD GLU A 376 -2.472 2.660 -4.837 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.754 2.424 -6.031 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.300 2.758 -4.418 1.00 0.00 O ATOM 0 HA GLU A 376 -3.100 5.392 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.387 3.976 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.935 3.798 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.199 3.008 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.182 1.904 -3.795 1.00 0.00 H new ATOM 354 N THR A 377 -5.923 6.116 -5.193 1.00 0.00 N ATOM 355 CA THR A 377 -6.965 7.071 -5.533 1.00 0.00 C ATOM 356 C THR A 377 -8.313 6.378 -5.606 1.00 0.00 C ATOM 357 O THR A 377 -8.387 5.181 -5.883 1.00 0.00 O ATOM 358 CB THR A 377 -6.675 7.765 -6.876 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.656 6.799 -7.933 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.341 8.493 -6.824 1.00 0.00 C ATOM 0 H THR A 377 -6.073 5.181 -5.572 1.00 0.00 H new ATOM 0 HA THR A 377 -6.984 7.828 -4.749 1.00 0.00 H new ATOM 0 HB THR A 377 -7.465 8.492 -7.066 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.472 7.249 -8.784 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.153 8.977 -7.782 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.368 9.246 -6.036 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.544 7.779 -6.616 1.00 0.00 H new ATOM 368 N GLU A 378 -9.374 7.127 -5.338 1.00 0.00 N ATOM 369 CA GLU A 378 -10.723 6.575 -5.358 1.00 0.00 C ATOM 370 C GLU A 378 -10.946 5.743 -6.612 1.00 0.00 C ATOM 371 O GLU A 378 -11.593 4.698 -6.572 1.00 0.00 O ATOM 372 CB GLU A 378 -11.758 7.697 -5.284 1.00 0.00 C ATOM 373 CG GLU A 378 -13.187 7.198 -5.143 1.00 0.00 C ATOM 374 CD GLU A 378 -14.197 8.329 -5.103 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.103 9.178 -4.192 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.081 8.365 -5.984 1.00 0.00 O ATOM 0 H GLU A 378 -9.327 8.119 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.839 5.929 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.522 8.342 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.683 8.309 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.421 6.536 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.273 6.606 -4.232 1.00 0.00 H new ATOM 383 N GLY A 379 -10.404 6.221 -7.723 1.00 0.00 N ATOM 384 CA GLY A 379 -10.551 5.520 -8.982 1.00 0.00 C ATOM 385 C GLY A 379 -9.834 4.184 -9.017 1.00 0.00 C ATOM 386 O GLY A 379 -10.371 3.205 -9.534 1.00 0.00 O ATOM 0 H GLY A 379 -9.863 7.084 -7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.611 5.360 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.170 6.149 -9.786 1.00 0.00 H new ATOM 390 N SER A 380 -8.621 4.140 -8.478 1.00 0.00 N ATOM 391 CA SER A 380 -7.844 2.903 -8.471 1.00 0.00 C ATOM 392 C SER A 380 -8.455 1.872 -7.526 1.00 0.00 C ATOM 393 O SER A 380 -8.629 0.710 -7.891 1.00 0.00 O ATOM 394 CB SER A 380 -6.395 3.182 -8.070 1.00 0.00 C ATOM 395 OG SER A 380 -6.319 3.707 -6.758 1.00 0.00 O ATOM 0 H SER A 380 -8.156 4.937 -8.044 1.00 0.00 H new ATOM 0 HA SER A 380 -7.862 2.495 -9.482 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.815 2.261 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.950 3.886 -8.773 1.00 0.00 H new ATOM 0 HG SER A 380 -7.150 4.181 -6.547 1.00 0.00 H new ATOM 401 N CYS A 381 -8.766 2.308 -6.309 1.00 0.00 N ATOM 402 CA CYS A 381 -9.344 1.432 -5.293 1.00 0.00 C ATOM 403 C CYS A 381 -10.591 0.711 -5.798 1.00 0.00 C ATOM 404 O CYS A 381 -10.723 -0.502 -5.629 1.00 0.00 O ATOM 405 CB CYS A 381 -9.690 2.243 -4.045 1.00 0.00 C ATOM 406 SG CYS A 381 -8.250 3.016 -3.244 1.00 0.00 S ATOM 0 H CYS A 381 -8.626 3.270 -6.000 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.598 0.674 -5.052 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.404 3.021 -4.316 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.187 1.591 -3.326 1.00 0.00 H new ATOM 411 N ASN A 382 -11.505 1.460 -6.409 1.00 0.00 N ATOM 412 CA ASN A 382 -12.744 0.882 -6.927 1.00 0.00 C ATOM 413 C ASN A 382 -12.451 -0.289 -7.857 1.00 0.00 C ATOM 414 O ASN A 382 -13.197 -1.269 -7.895 1.00 0.00 O ATOM 415 CB ASN A 382 -13.556 1.940 -7.680 1.00 0.00 C ATOM 416 CG ASN A 382 -13.953 3.119 -6.808 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.526 3.108 -5.550 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.636 4.036 -7.264 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.413 2.465 -6.558 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.323 0.521 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.973 2.302 -8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.455 1.478 -8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.944 4.008 -8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.893 4.824 -6.670 1.00 0.00 H new ATOM 425 N LYS A 383 -11.369 -0.170 -8.611 1.00 0.00 N ATOM 426 CA LYS A 383 -10.973 -1.203 -9.556 1.00 0.00 C ATOM 427 C LYS A 383 -10.338 -2.398 -8.852 1.00 0.00 C ATOM 428 O LYS A 383 -10.460 -3.533 -9.314 1.00 0.00 O ATOM 429 CB LYS A 383 -10.000 -0.624 -10.584 1.00 0.00 C ATOM 430 CG LYS A 383 -10.494 0.662 -11.234 1.00 0.00 C ATOM 431 CD LYS A 383 -11.830 0.467 -11.939 1.00 0.00 C ATOM 432 CE LYS A 383 -11.719 -0.518 -13.092 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.027 -0.719 -13.775 1.00 0.00 N ATOM 0 H LYS A 383 -10.746 0.637 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.872 -1.555 -10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.043 -0.432 -10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.820 -1.368 -11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.595 1.437 -10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.753 1.014 -11.952 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.570 0.108 -11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.188 1.426 -12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.985 -0.154 -13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.353 -1.475 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.911 -1.397 -14.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.721 -1.090 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.364 0.189 -14.153 1.00 0.00 H new ATOM 447 N LYS A 384 -9.639 -2.141 -7.747 1.00 0.00 N ATOM 448 CA LYS A 384 -8.972 -3.196 -7.012 1.00 0.00 C ATOM 449 C LYS A 384 -9.948 -4.213 -6.464 1.00 0.00 C ATOM 450 O LYS A 384 -11.082 -3.897 -6.102 1.00 0.00 O ATOM 451 CB LYS A 384 -8.152 -2.608 -5.882 1.00 0.00 C ATOM 452 CG LYS A 384 -7.282 -1.463 -6.344 1.00 0.00 C ATOM 453 CD LYS A 384 -6.295 -1.863 -7.418 1.00 0.00 C ATOM 454 CE LYS A 384 -5.554 -3.088 -6.990 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.178 -3.154 -7.558 1.00 0.00 N ATOM 0 H LYS A 384 -9.524 -1.210 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.315 -3.713 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.820 -2.260 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.525 -3.386 -5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.917 -0.662 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.737 -1.061 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -6.819 -2.052 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.595 -1.049 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.495 -3.111 -5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.113 -3.972 -7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -3.708 -4.022 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.231 -3.160 -8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.633 -2.326 -7.244 1.00 0.00 H new ATOM 469 N ASP A 385 -9.470 -5.435 -6.401 1.00 0.00 N ATOM 470 CA ASP A 385 -10.251 -6.555 -5.886 1.00 0.00 C ATOM 471 C ASP A 385 -10.283 -6.516 -4.364 1.00 0.00 C ATOM 472 O ASP A 385 -9.610 -5.692 -3.751 1.00 0.00 O ATOM 473 CB ASP A 385 -9.668 -7.887 -6.361 1.00 0.00 C ATOM 474 CG ASP A 385 -9.598 -7.987 -7.872 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.008 -7.023 -8.554 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.133 -9.032 -8.377 1.00 0.00 O ATOM 0 H ASP A 385 -8.529 -5.689 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.268 -6.467 -6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.668 -8.010 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.277 -8.704 -5.974 1.00 0.00 H new ATOM 481 N GLN A 386 -11.060 -7.408 -3.759 1.00 0.00 N ATOM 482 CA GLN A 386 -11.166 -7.463 -2.303 1.00 0.00 C ATOM 483 C GLN A 386 -9.786 -7.507 -1.660 1.00 0.00 C ATOM 484 O GLN A 386 -9.450 -6.661 -0.831 1.00 0.00 O ATOM 485 CB GLN A 386 -11.981 -8.685 -1.875 1.00 0.00 C ATOM 486 CG GLN A 386 -12.083 -8.851 -0.368 1.00 0.00 C ATOM 487 CD GLN A 386 -12.916 -10.053 0.032 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.582 -11.192 -0.297 1.00 0.00 O ATOM 489 NE2 GLN A 386 -14.010 -9.805 0.743 1.00 0.00 N ATOM 0 H GLN A 386 -11.624 -8.101 -4.251 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.676 -6.560 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.985 -8.606 -2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.528 -9.580 -2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.082 -8.952 0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.520 -7.951 0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.249 -8.846 0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.611 -10.574 1.039 1.00 0.00 H new ATOM 498 N ASN A 387 -8.985 -8.486 -2.059 1.00 0.00 N ATOM 499 CA ASN A 387 -7.637 -8.629 -1.531 1.00 0.00 C ATOM 500 C ASN A 387 -6.758 -7.475 -2.002 1.00 0.00 C ATOM 501 O ASN A 387 -5.807 -7.084 -1.324 1.00 0.00 O ATOM 502 CB ASN A 387 -7.031 -9.964 -1.970 1.00 0.00 C ATOM 503 CG ASN A 387 -5.657 -10.198 -1.385 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.476 -10.180 -0.168 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.681 -10.427 -2.249 1.00 0.00 N ATOM 0 H ASN A 387 -9.246 -9.192 -2.747 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.689 -8.609 -0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.693 -10.776 -1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.968 -9.990 -3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.733 -10.598 -1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.877 -10.433 -3.250 1.00 0.00 H new ATOM 512 N GLU A 388 -7.086 -6.941 -3.174 1.00 0.00 N ATOM 513 CA GLU A 388 -6.338 -5.835 -3.759 1.00 0.00 C ATOM 514 C GLU A 388 -6.687 -4.511 -3.094 1.00 0.00 C ATOM 515 O GLU A 388 -5.935 -3.543 -3.203 1.00 0.00 O ATOM 516 CB GLU A 388 -6.605 -5.756 -5.260 1.00 0.00 C ATOM 517 CG GLU A 388 -6.174 -7.000 -6.020 1.00 0.00 C ATOM 518 CD GLU A 388 -6.436 -6.898 -7.509 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.946 -5.848 -7.954 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.130 -7.868 -8.233 1.00 0.00 O ATOM 0 H GLU A 388 -7.872 -7.260 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.278 -6.023 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.670 -5.591 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.082 -4.891 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.111 -7.172 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.703 -7.866 -5.621 1.00 0.00 H new ATOM 527 N CYS A 389 -7.825 -4.467 -2.403 1.00 0.00 N ATOM 528 CA CYS A 389 -8.244 -3.247 -1.727 1.00 0.00 C ATOM 529 C CYS A 389 -7.127 -2.791 -0.796 1.00 0.00 C ATOM 530 O CYS A 389 -6.920 -3.359 0.277 1.00 0.00 O ATOM 531 CB CYS A 389 -9.548 -3.482 -0.958 1.00 0.00 C ATOM 532 SG CYS A 389 -10.324 -1.961 -0.319 1.00 0.00 S ATOM 0 H CYS A 389 -8.465 -5.254 -2.299 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.436 -2.464 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.256 -3.990 -1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.348 -4.153 -0.123 1.00 0.00 H new ATOM 537 N LYS A 390 -6.378 -1.793 -1.249 1.00 0.00 N ATOM 538 CA LYS A 390 -5.233 -1.279 -0.503 1.00 0.00 C ATOM 539 C LYS A 390 -5.635 -0.513 0.758 1.00 0.00 C ATOM 540 O LYS A 390 -6.799 -0.165 0.948 1.00 0.00 O ATOM 541 CB LYS A 390 -4.372 -0.420 -1.419 1.00 0.00 C ATOM 542 CG LYS A 390 -3.716 -1.228 -2.531 1.00 0.00 C ATOM 543 CD LYS A 390 -2.814 -0.364 -3.396 1.00 0.00 C ATOM 544 CE LYS A 390 -2.116 -1.186 -4.469 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.268 -2.258 -3.880 1.00 0.00 N ATOM 0 H LYS A 390 -6.544 -1.319 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.654 -2.136 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.987 0.365 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.600 0.073 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.134 -2.040 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.486 -1.685 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.404 0.423 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.069 0.127 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.861 -1.633 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.499 -0.531 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.609 -2.615 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.729 -1.873 -3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.873 -3.036 -3.548 1.00 0.00 H new ATOM 559 N SER A 391 -4.647 -0.287 1.628 1.00 0.00 N ATOM 560 CA SER A 391 -4.865 0.405 2.900 1.00 0.00 C ATOM 561 C SER A 391 -5.557 1.757 2.714 1.00 0.00 C ATOM 562 O SER A 391 -6.622 1.979 3.291 1.00 0.00 O ATOM 563 CB SER A 391 -3.540 0.585 3.646 1.00 0.00 C ATOM 564 OG SER A 391 -3.729 1.287 4.862 1.00 0.00 O ATOM 0 H SER A 391 -3.681 -0.576 1.472 1.00 0.00 H new ATOM 0 HA SER A 391 -5.530 -0.221 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.099 -0.391 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.835 1.127 3.016 1.00 0.00 H new ATOM 0 HG SER A 391 -2.868 1.387 5.319 1.00 0.00 H new ATOM 570 N PRO A 392 -4.989 2.686 1.910 1.00 0.00 N ATOM 571 CA PRO A 392 -5.604 3.991 1.681 1.00 0.00 C ATOM 572 C PRO A 392 -7.065 3.838 1.289 1.00 0.00 C ATOM 573 O PRO A 392 -7.894 4.712 1.546 1.00 0.00 O ATOM 574 CB PRO A 392 -4.785 4.587 0.527 1.00 0.00 C ATOM 575 CG PRO A 392 -3.957 3.469 -0.001 1.00 0.00 C ATOM 576 CD PRO A 392 -3.733 2.562 1.160 1.00 0.00 C ATOM 0 HA PRO A 392 -5.597 4.622 2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.437 4.991 -0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.158 5.408 0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.468 2.950 -0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.012 3.835 -0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.550 1.535 0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.873 2.870 1.755 1.00 0.00 H new ATOM 584 N CYS A 393 -7.371 2.707 0.674 1.00 0.00 N ATOM 585 CA CYS A 393 -8.729 2.410 0.257 1.00 0.00 C ATOM 586 C CYS A 393 -9.556 1.967 1.454 1.00 0.00 C ATOM 587 O CYS A 393 -9.052 1.308 2.364 1.00 0.00 O ATOM 588 CB CYS A 393 -8.737 1.314 -0.798 1.00 0.00 C ATOM 589 SG CYS A 393 -7.490 1.523 -2.109 1.00 0.00 S ATOM 0 H CYS A 393 -6.693 1.978 0.452 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.162 3.314 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.574 0.354 -0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.725 1.275 -1.256 1.00 0.00 H new ATOM 594 N LYS A 394 -10.827 2.325 1.440 1.00 0.00 N ATOM 595 CA LYS A 394 -11.738 1.961 2.516 1.00 0.00 C ATOM 596 C LYS A 394 -12.637 0.813 2.086 1.00 0.00 C ATOM 597 O LYS A 394 -13.435 0.946 1.157 1.00 0.00 O ATOM 598 CB LYS A 394 -12.571 3.176 2.935 1.00 0.00 C ATOM 599 CG LYS A 394 -13.589 2.881 4.028 1.00 0.00 C ATOM 600 CD LYS A 394 -14.180 4.162 4.604 1.00 0.00 C ATOM 601 CE LYS A 394 -14.833 5.023 3.532 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.383 6.286 4.094 1.00 0.00 N ATOM 0 H LYS A 394 -11.256 2.870 0.692 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.153 1.630 3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.900 3.962 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.094 3.564 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.389 2.260 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.113 2.309 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.918 3.910 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.394 4.733 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.101 5.258 2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.634 4.460 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.819 6.844 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.100 6.063 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.615 6.836 4.530 1.00 0.00 H new ATOM 616 N TRP A 395 -12.491 -0.320 2.761 1.00 0.00 N ATOM 617 CA TRP A 395 -13.277 -1.502 2.446 1.00 0.00 C ATOM 618 C TRP A 395 -14.689 -1.391 3.009 1.00 0.00 C ATOM 619 O TRP A 395 -14.889 -0.893 4.117 1.00 0.00 O ATOM 620 CB TRP A 395 -12.595 -2.755 2.992 1.00 0.00 C ATOM 621 CG TRP A 395 -13.266 -4.025 2.566 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.807 -4.978 3.378 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.458 -4.483 1.223 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.332 -5.998 2.622 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.126 -5.718 1.296 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.131 -3.966 -0.038 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.473 -6.444 0.161 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.476 -4.690 -1.163 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.141 -5.917 -1.057 1.00 0.00 C ATOM 0 H TRP A 395 -11.834 -0.444 3.531 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.347 -1.577 1.361 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.557 -2.770 2.659 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.580 -2.707 4.081 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.821 -4.937 4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.799 -6.828 2.988 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.619 -3.019 -0.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.987 -7.391 0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.228 -4.303 -2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.397 -6.459 -1.955 1.00 0.00 H new ATOM 640 N HIS A 396 -15.663 -1.867 2.241 1.00 0.00 N ATOM 641 CA HIS A 396 -17.056 -1.833 2.666 1.00 0.00 C ATOM 642 C HIS A 396 -17.681 -3.219 2.585 1.00 0.00 C ATOM 643 O HIS A 396 -17.853 -3.767 1.495 1.00 0.00 O ATOM 644 CB HIS A 396 -17.854 -0.863 1.792 1.00 0.00 C ATOM 645 CG HIS A 396 -17.382 0.553 1.881 1.00 0.00 C ATOM 646 ND1 HIS A 396 -16.872 1.379 0.938 1.00 0.00 N flip ATOM 647 CD2 HIS A 396 -17.408 1.278 3.052 1.00 0.00 C flip ATOM 648 CE1 HIS A 396 -16.603 2.577 1.552 1.00 0.00 C flip ATOM 649 NE2 HIS A 396 -16.935 2.490 2.825 1.00 0.00 N flip ATOM 0 H HIS A 396 -15.513 -2.281 1.321 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.083 -1.494 3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.797 -1.191 0.754 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.904 -0.906 2.082 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -16.717 1.154 -0.045 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -17.760 0.913 4.006 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.187 3.449 1.070 1.00 0.00 H new ATOM 658 N ASN A 397 -18.031 -3.778 3.738 1.00 0.00 N ATOM 659 CA ASN A 397 -18.650 -5.095 3.778 1.00 0.00 C ATOM 660 C ASN A 397 -20.147 -4.973 4.049 1.00 0.00 C ATOM 661 O ASN A 397 -20.587 -5.062 5.196 1.00 0.00 O ATOM 662 CB ASN A 397 -17.983 -5.960 4.852 1.00 0.00 C ATOM 663 CG ASN A 397 -17.984 -5.299 6.217 1.00 0.00 C ATOM 664 OD1 ASN A 397 -17.424 -4.217 6.397 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.613 -5.948 7.189 1.00 0.00 N ATOM 0 H ASN A 397 -17.897 -3.343 4.651 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.513 -5.573 2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.501 -6.917 4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.956 -6.172 4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.645 -5.552 8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.064 -6.842 6.996 1.00 0.00 H new ATOM 672 N ASP A 398 -20.915 -4.778 2.974 1.00 0.00 N ATOM 673 CA ASP A 398 -22.374 -4.640 3.052 1.00 0.00 C ATOM 674 C ASP A 398 -22.915 -4.009 1.772 1.00 0.00 C ATOM 675 O ASP A 398 -24.107 -3.722 1.666 1.00 0.00 O ATOM 676 CB ASP A 398 -22.789 -3.778 4.250 1.00 0.00 C ATOM 677 CG ASP A 398 -22.247 -2.364 4.163 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.010 -2.203 4.122 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.062 -1.418 4.137 1.00 0.00 O ATOM 0 H ASP A 398 -20.545 -4.711 2.026 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.792 -5.639 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.877 -3.744 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.434 -4.244 5.169 1.00 0.00 H new ATOM 684 N ALA A 399 -22.026 -3.781 0.809 1.00 0.00 N ATOM 685 CA ALA A 399 -22.405 -3.166 -0.461 1.00 0.00 C ATOM 686 C ALA A 399 -23.156 -4.139 -1.366 1.00 0.00 C ATOM 687 O ALA A 399 -23.169 -3.979 -2.588 1.00 0.00 O ATOM 688 CB ALA A 399 -21.170 -2.639 -1.169 1.00 0.00 C ATOM 0 H ALA A 399 -21.036 -4.013 0.884 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.080 -2.339 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.460 -2.182 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.681 -1.894 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.481 -3.462 -1.360 1.00 0.00 H new ATOM 694 N GLU A 400 -23.781 -5.143 -0.761 1.00 0.00 N ATOM 695 CA GLU A 400 -24.540 -6.144 -1.504 1.00 0.00 C ATOM 696 C GLU A 400 -23.661 -6.837 -2.539 1.00 0.00 C ATOM 697 O GLU A 400 -24.160 -7.536 -3.421 1.00 0.00 O ATOM 698 CB GLU A 400 -25.744 -5.494 -2.190 1.00 0.00 C ATOM 699 CG GLU A 400 -26.691 -4.794 -1.227 1.00 0.00 C ATOM 700 CD GLU A 400 -27.860 -4.136 -1.934 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.927 -4.218 -3.178 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.711 -3.536 -1.242 1.00 0.00 O ATOM 0 H GLU A 400 -23.777 -5.286 0.249 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.895 -6.894 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.387 -4.772 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -26.296 -6.258 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -27.069 -5.517 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.140 -4.040 -0.665 1.00 0.00 H new ATOM 709 N ASN A 401 -22.350 -6.639 -2.416 1.00 0.00 N ATOM 710 CA ASN A 401 -21.384 -7.238 -3.330 1.00 0.00 C ATOM 711 C ASN A 401 -19.973 -6.759 -3.007 1.00 0.00 C ATOM 712 O ASN A 401 -19.051 -6.940 -3.802 1.00 0.00 O ATOM 713 CB ASN A 401 -21.731 -6.888 -4.778 1.00 0.00 C ATOM 714 CG ASN A 401 -21.645 -5.399 -5.056 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.578 -4.795 -4.954 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.776 -4.799 -5.405 1.00 0.00 N ATOM 0 H ASN A 401 -21.931 -6.063 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.425 -8.320 -3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.054 -7.418 -5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.739 -7.238 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.783 -3.798 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.638 -5.339 -5.477 1.00 0.00 H new ATOM 723 N LYS A 402 -19.819 -6.147 -1.833 1.00 0.00 N ATOM 724 CA LYS A 402 -18.524 -5.631 -1.390 1.00 0.00 C ATOM 725 C LYS A 402 -18.041 -4.503 -2.303 1.00 0.00 C ATOM 726 O LYS A 402 -18.169 -4.586 -3.525 1.00 0.00 O ATOM 727 CB LYS A 402 -17.489 -6.759 -1.356 1.00 0.00 C ATOM 728 CG LYS A 402 -17.917 -7.961 -0.527 1.00 0.00 C ATOM 729 CD LYS A 402 -18.148 -7.591 0.929 1.00 0.00 C ATOM 730 CE LYS A 402 -18.600 -8.794 1.741 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.845 -8.444 3.167 1.00 0.00 N ATOM 0 H LYS A 402 -20.579 -5.996 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.646 -5.228 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.288 -7.086 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.553 -6.369 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.832 -8.383 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.152 -8.735 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.229 -7.188 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.900 -6.804 0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.512 -9.203 1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.842 -9.575 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.370 -9.214 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.935 -8.306 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.401 -7.567 3.219 1.00 0.00 H new ATOM 745 N LYS A 403 -17.486 -3.448 -1.708 1.00 0.00 N ATOM 746 CA LYS A 403 -16.993 -2.311 -2.483 1.00 0.00 C ATOM 747 C LYS A 403 -15.783 -1.654 -1.820 1.00 0.00 C ATOM 748 O LYS A 403 -15.781 -1.398 -0.616 1.00 0.00 O ATOM 749 CB LYS A 403 -18.095 -1.265 -2.670 1.00 0.00 C ATOM 750 CG LYS A 403 -19.234 -1.725 -3.565 1.00 0.00 C ATOM 751 CD LYS A 403 -20.256 -0.619 -3.785 1.00 0.00 C ATOM 752 CE LYS A 403 -19.635 0.596 -4.458 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.028 0.253 -5.774 1.00 0.00 N ATOM 0 H LYS A 403 -17.367 -3.357 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.687 -2.698 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.498 -0.998 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.656 -0.361 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.834 -2.048 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.724 -2.589 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.074 -0.996 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.685 -0.325 -2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.397 1.362 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.872 1.021 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.784 1.127 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.168 -0.312 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.708 -0.296 -6.337 1.00 0.00 H new ATOM 767 N CYS A 404 -14.765 -1.372 -2.629 1.00 0.00 N ATOM 768 CA CYS A 404 -13.546 -0.728 -2.150 1.00 0.00 C ATOM 769 C CYS A 404 -13.458 0.694 -2.704 1.00 0.00 C ATOM 770 O CYS A 404 -13.535 0.893 -3.916 1.00 0.00 O ATOM 771 CB CYS A 404 -12.319 -1.538 -2.587 1.00 0.00 C ATOM 772 SG CYS A 404 -10.728 -0.879 -1.995 1.00 0.00 S ATOM 0 H CYS A 404 -14.761 -1.582 -3.627 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.571 -0.684 -1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.429 -2.562 -2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.297 -1.581 -3.676 1.00 0.00 H new ATOM 777 N THR A 405 -13.304 1.683 -1.823 1.00 0.00 N ATOM 778 CA THR A 405 -13.219 3.078 -2.257 1.00 0.00 C ATOM 779 C THR A 405 -12.236 3.881 -1.412 1.00 0.00 C ATOM 780 O THR A 405 -12.299 3.872 -0.184 1.00 0.00 O ATOM 781 CB THR A 405 -14.588 3.776 -2.199 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.073 3.789 -0.852 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.597 3.076 -3.098 1.00 0.00 C ATOM 0 H THR A 405 -13.236 1.547 -0.814 1.00 0.00 H new ATOM 0 HA THR A 405 -12.867 3.046 -3.288 1.00 0.00 H new ATOM 0 HB THR A 405 -14.462 4.799 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.316 3.754 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.556 3.590 -3.038 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.240 3.093 -4.128 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.718 2.043 -2.773 1.00 0.00 H new ATOM 791 N LEU A 406 -11.343 4.584 -2.096 1.00 0.00 N ATOM 792 CA LEU A 406 -10.332 5.415 -1.453 1.00 0.00 C ATOM 793 C LEU A 406 -10.970 6.489 -0.586 1.00 0.00 C ATOM 794 O LEU A 406 -12.005 7.055 -0.938 1.00 0.00 O ATOM 795 CB LEU A 406 -9.455 6.059 -2.527 1.00 0.00 C ATOM 796 CG LEU A 406 -8.191 6.768 -2.040 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.520 8.085 -1.357 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.404 5.862 -1.119 1.00 0.00 C ATOM 0 H LEU A 406 -11.299 4.594 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.723 4.785 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.161 5.285 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.061 6.780 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.576 6.998 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.598 8.562 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.034 8.741 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.164 7.898 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.507 6.379 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.018 5.597 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.120 4.956 -1.655 1.00 0.00 H new ATOM 810 N ASP A 407 -10.335 6.773 0.543 1.00 0.00 N ATOM 811 CA ASP A 407 -10.821 7.784 1.457 1.00 0.00 C ATOM 812 C ASP A 407 -9.817 8.927 1.573 1.00 0.00 C ATOM 813 O ASP A 407 -8.618 8.699 1.726 1.00 0.00 O ATOM 814 CB ASP A 407 -11.089 7.151 2.815 1.00 0.00 C ATOM 815 CG ASP A 407 -9.927 6.328 3.322 1.00 0.00 C ATOM 816 OD1 ASP A 407 -8.811 6.486 2.793 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.129 5.540 4.269 1.00 0.00 O ATOM 0 H ASP A 407 -9.477 6.311 0.844 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.753 8.200 1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.314 7.936 3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -11.973 6.518 2.746 1.00 0.00 H new ATOM 822 N LYS A 408 -10.305 10.158 1.475 1.00 0.00 N ATOM 823 CA LYS A 408 -9.436 11.328 1.546 1.00 0.00 C ATOM 824 C LYS A 408 -8.862 11.528 2.946 1.00 0.00 C ATOM 825 O LYS A 408 -7.661 11.732 3.104 1.00 0.00 O ATOM 826 CB LYS A 408 -10.197 12.581 1.118 1.00 0.00 C ATOM 827 CG LYS A 408 -10.792 12.491 -0.279 1.00 0.00 C ATOM 828 CD LYS A 408 -11.553 13.758 -0.639 1.00 0.00 C ATOM 829 CE LYS A 408 -12.190 13.657 -2.017 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.920 14.903 -2.381 1.00 0.00 N ATOM 0 H LYS A 408 -11.294 10.372 1.347 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.604 11.154 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.998 12.770 1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.523 13.437 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.997 12.323 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.462 11.633 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.326 13.943 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.874 14.610 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.418 13.457 -2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.879 12.813 -2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.340 14.796 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.673 15.080 -1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.258 15.705 -2.386 1.00 0.00 H new ATOM 844 N GLU A 409 -9.725 11.484 3.956 1.00 0.00 N ATOM 845 CA GLU A 409 -9.298 11.681 5.340 1.00 0.00 C ATOM 846 C GLU A 409 -8.161 10.734 5.726 1.00 0.00 C ATOM 847 O GLU A 409 -7.152 11.159 6.294 1.00 0.00 O ATOM 848 CB GLU A 409 -10.480 11.486 6.292 1.00 0.00 C ATOM 849 CG GLU A 409 -11.626 12.454 6.047 1.00 0.00 C ATOM 850 CD GLU A 409 -11.206 13.905 6.183 1.00 0.00 C ATOM 851 OE1 GLU A 409 -10.754 14.293 7.280 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.328 14.653 5.190 1.00 0.00 O ATOM 0 H GLU A 409 -10.724 11.314 3.844 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.926 12.702 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.850 10.466 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.132 11.601 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -12.028 12.289 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.430 12.245 6.753 1.00 0.00 H new ATOM 859 N GLU A 410 -8.329 9.453 5.416 1.00 0.00 N ATOM 860 CA GLU A 410 -7.316 8.457 5.737 1.00 0.00 C ATOM 861 C GLU A 410 -6.100 8.605 4.837 1.00 0.00 C ATOM 862 O GLU A 410 -4.969 8.561 5.311 1.00 0.00 O ATOM 863 CB GLU A 410 -7.895 7.046 5.632 1.00 0.00 C ATOM 864 CG GLU A 410 -8.852 6.693 6.760 1.00 0.00 C ATOM 865 CD GLU A 410 -10.048 7.623 6.832 1.00 0.00 C ATOM 866 OE1 GLU A 410 -10.811 7.690 5.845 1.00 0.00 O ATOM 867 OE2 GLU A 410 -10.225 8.285 7.877 1.00 0.00 O ATOM 0 H GLU A 410 -9.154 9.082 4.945 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.996 8.622 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.417 6.947 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.076 6.326 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.202 5.669 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -8.316 6.725 7.708 1.00 0.00 H new ATOM 874 N ALA A 411 -6.335 8.785 3.541 1.00 0.00 N ATOM 875 CA ALA A 411 -5.243 8.949 2.587 1.00 0.00 C ATOM 876 C ALA A 411 -4.289 10.046 3.043 1.00 0.00 C ATOM 877 O ALA A 411 -3.071 9.917 2.928 1.00 0.00 O ATOM 878 CB ALA A 411 -5.791 9.269 1.205 1.00 0.00 C ATOM 0 H ALA A 411 -7.267 8.821 3.128 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.690 8.011 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.964 9.388 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.435 8.455 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.367 10.193 1.247 1.00 0.00 H new ATOM 884 N LYS A 412 -4.858 11.126 3.566 1.00 0.00 N ATOM 885 CA LYS A 412 -4.073 12.253 4.048 1.00 0.00 C ATOM 886 C LYS A 412 -3.224 11.853 5.253 1.00 0.00 C ATOM 887 O LYS A 412 -2.028 12.141 5.301 1.00 0.00 O ATOM 888 CB LYS A 412 -5.002 13.407 4.425 1.00 0.00 C ATOM 889 CG LYS A 412 -5.789 13.966 3.252 1.00 0.00 C ATOM 890 CD LYS A 412 -6.880 14.917 3.715 1.00 0.00 C ATOM 891 CE LYS A 412 -6.300 16.147 4.396 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.410 16.919 3.484 1.00 0.00 N ATOM 0 H LYS A 412 -5.866 11.244 3.667 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.403 12.572 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.700 13.065 5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.410 14.208 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.113 14.488 2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.235 13.147 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.482 15.224 2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.546 14.399 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.112 16.788 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.738 15.842 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.239 17.864 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.504 16.419 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.864 17.013 2.553 1.00 0.00 H new