USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 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 : no HE2:sc= 0.626 K(o=1.3,f=-3.6!) USER MOD Set 1.2: A 405 THR OG1 : rot -97:sc= 0.714 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -23:sc= -0.494! USER MOD Single : A 382 ASN :FLIP amide:sc= -1.09 F(o=-5.1!,f=-1.1) USER MOD Single : A 383 LYS NZ :NH3+ -166:sc= -0.047 (180deg=-0.288) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0.0369 X(o=0.037,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -133:sc= 0.336 (180deg=-0.225) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 157:sc= -0.276 (180deg=-1.47) USER MOD Single : A 397 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.6!) USER MOD Single : A 401 ASN : amide:sc= -2.23 X(o=-2.2,f=-2) USER MOD Single : A 402 LYS NZ :NH3+ 167:sc= -0.0342 (180deg=-0.211) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0198 (180deg=-0.238) USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= -0.0369 (180deg=-0.266) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.119 5.374 -3.105 1.00 0.00 N ATOM 340 CA GLU A 376 -3.833 5.159 -4.356 1.00 0.00 C ATOM 341 C GLU A 376 -4.794 6.313 -4.643 1.00 0.00 C ATOM 342 O GLU A 376 -4.560 7.445 -4.220 1.00 0.00 O ATOM 343 CB GLU A 376 -4.591 3.829 -4.293 1.00 0.00 C ATOM 344 CG GLU A 376 -3.722 2.650 -3.882 1.00 0.00 C ATOM 345 CD GLU A 376 -2.633 2.339 -4.893 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.760 3.203 -5.116 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.654 1.226 -5.463 1.00 0.00 O ATOM 0 HA GLU A 376 -3.109 5.120 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.416 3.924 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.029 3.624 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.264 2.862 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.351 1.770 -3.751 1.00 0.00 H new ATOM 354 N THR A 377 -5.873 6.017 -5.364 1.00 0.00 N ATOM 355 CA THR A 377 -6.871 7.020 -5.715 1.00 0.00 C ATOM 356 C THR A 377 -8.245 6.383 -5.845 1.00 0.00 C ATOM 357 O THR A 377 -8.359 5.177 -6.047 1.00 0.00 O ATOM 358 CB THR A 377 -6.520 7.735 -7.036 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.474 6.787 -8.108 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.181 8.450 -6.928 1.00 0.00 C ATOM 0 H THR A 377 -6.078 5.083 -5.718 1.00 0.00 H new ATOM 0 HA THR A 377 -6.880 7.757 -4.912 1.00 0.00 H new ATOM 0 HB THR A 377 -7.293 8.476 -7.238 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.252 7.249 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.956 8.946 -7.872 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.228 9.192 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.398 7.725 -6.704 1.00 0.00 H new ATOM 368 N GLU A 378 -9.286 7.199 -5.709 1.00 0.00 N ATOM 369 CA GLU A 378 -10.656 6.709 -5.792 1.00 0.00 C ATOM 370 C GLU A 378 -10.852 5.825 -7.015 1.00 0.00 C ATOM 371 O GLU A 378 -11.534 4.803 -6.953 1.00 0.00 O ATOM 372 CB GLU A 378 -11.637 7.879 -5.834 1.00 0.00 C ATOM 373 CG GLU A 378 -13.092 7.452 -5.740 1.00 0.00 C ATOM 374 CD GLU A 378 -14.054 8.621 -5.829 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.584 9.771 -5.959 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.280 8.386 -5.768 1.00 0.00 O ATOM 0 H GLU A 378 -9.206 8.202 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.850 6.110 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.413 8.561 -5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.488 8.435 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.311 6.745 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.252 6.927 -4.798 1.00 0.00 H new ATOM 383 N GLY A 379 -10.253 6.230 -8.125 1.00 0.00 N ATOM 384 CA GLY A 379 -10.374 5.469 -9.353 1.00 0.00 C ATOM 385 C GLY A 379 -9.759 4.087 -9.265 1.00 0.00 C ATOM 386 O GLY A 379 -10.311 3.124 -9.797 1.00 0.00 O ATOM 0 H GLY A 379 -9.684 7.073 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.429 5.374 -9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.896 6.021 -10.163 1.00 0.00 H new ATOM 390 N SER A 380 -8.611 3.985 -8.606 1.00 0.00 N ATOM 391 CA SER A 380 -7.925 2.701 -8.475 1.00 0.00 C ATOM 392 C SER A 380 -8.608 1.799 -7.449 1.00 0.00 C ATOM 393 O SER A 380 -8.797 0.607 -7.690 1.00 0.00 O ATOM 394 CB SER A 380 -6.462 2.917 -8.086 1.00 0.00 C ATOM 395 OG SER A 380 -6.355 3.601 -6.852 1.00 0.00 O ATOM 0 H SER A 380 -8.137 4.768 -8.156 1.00 0.00 H new ATOM 0 HA SER A 380 -7.972 2.204 -9.444 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.956 1.954 -8.016 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.956 3.487 -8.865 1.00 0.00 H new ATOM 0 HG SER A 380 -7.177 4.108 -6.687 1.00 0.00 H new ATOM 401 N CYS A 381 -8.964 2.373 -6.306 1.00 0.00 N ATOM 402 CA CYS A 381 -9.612 1.623 -5.232 1.00 0.00 C ATOM 403 C CYS A 381 -10.855 0.887 -5.719 1.00 0.00 C ATOM 404 O CYS A 381 -11.031 -0.299 -5.436 1.00 0.00 O ATOM 405 CB CYS A 381 -9.986 2.564 -4.089 1.00 0.00 C ATOM 406 SG CYS A 381 -8.555 3.322 -3.257 1.00 0.00 S ATOM 0 H CYS A 381 -8.815 3.360 -6.097 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.900 0.877 -4.879 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.628 3.354 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.571 2.011 -3.353 1.00 0.00 H new ATOM 411 N ASN A 382 -11.713 1.592 -6.447 1.00 0.00 N ATOM 412 CA ASN A 382 -12.942 0.999 -6.964 1.00 0.00 C ATOM 413 C ASN A 382 -12.637 -0.275 -7.739 1.00 0.00 C ATOM 414 O ASN A 382 -13.389 -1.249 -7.682 1.00 0.00 O ATOM 415 CB ASN A 382 -13.672 1.989 -7.877 1.00 0.00 C ATOM 416 CG ASN A 382 -14.009 3.301 -7.187 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.629 3.432 -5.920 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.605 4.192 -7.792 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.581 2.573 -6.693 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.582 0.755 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.052 2.193 -8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.592 1.529 -8.239 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.880 4.053 -8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.824 5.070 -7.321 1.00 0.00 H new ATOM 425 N LYS A 383 -11.533 -0.251 -8.471 1.00 0.00 N ATOM 426 CA LYS A 383 -11.118 -1.389 -9.275 1.00 0.00 C ATOM 427 C LYS A 383 -10.464 -2.471 -8.417 1.00 0.00 C ATOM 428 O LYS A 383 -10.565 -3.659 -8.722 1.00 0.00 O ATOM 429 CB LYS A 383 -10.148 -0.927 -10.362 1.00 0.00 C ATOM 430 CG LYS A 383 -10.634 0.299 -11.125 1.00 0.00 C ATOM 431 CD LYS A 383 -11.980 0.057 -11.792 1.00 0.00 C ATOM 432 CE LYS A 383 -11.897 -1.035 -12.847 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.929 -0.692 -13.925 1.00 0.00 N ATOM 0 H LYS A 383 -10.905 0.551 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.007 -1.820 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.183 -0.704 -9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.987 -1.744 -11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.715 1.144 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.898 0.571 -11.882 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.715 -0.222 -11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.330 0.981 -12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.600 -1.972 -12.377 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.883 -1.195 -13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.069 -1.331 -14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -11.082 0.291 -14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.958 -0.796 -13.566 1.00 0.00 H new ATOM 447 N LYS A 384 -9.772 -2.054 -7.357 1.00 0.00 N ATOM 448 CA LYS A 384 -9.087 -2.985 -6.483 1.00 0.00 C ATOM 449 C LYS A 384 -10.035 -3.963 -5.820 1.00 0.00 C ATOM 450 O LYS A 384 -11.088 -3.590 -5.302 1.00 0.00 O ATOM 451 CB LYS A 384 -8.290 -2.225 -5.432 1.00 0.00 C ATOM 452 CG LYS A 384 -7.203 -1.413 -6.058 1.00 0.00 C ATOM 453 CD LYS A 384 -6.190 -2.317 -6.682 1.00 0.00 C ATOM 454 CE LYS A 384 -5.639 -1.685 -7.924 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.302 -1.068 -7.704 1.00 0.00 N ATOM 0 H LYS A 384 -9.675 -1.075 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.408 -3.571 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.957 -1.572 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.858 -2.929 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.623 -0.747 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.728 -0.784 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.384 -2.516 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.646 -3.277 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.564 -2.438 -8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.333 -0.923 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -3.965 -0.645 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.376 -0.330 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.630 -1.798 -7.391 1.00 0.00 H new ATOM 469 N ASP A 385 -9.629 -5.217 -5.836 1.00 0.00 N ATOM 470 CA ASP A 385 -10.405 -6.293 -5.229 1.00 0.00 C ATOM 471 C ASP A 385 -10.294 -6.226 -3.712 1.00 0.00 C ATOM 472 O ASP A 385 -9.597 -5.367 -3.180 1.00 0.00 O ATOM 473 CB ASP A 385 -9.923 -7.656 -5.732 1.00 0.00 C ATOM 474 CG ASP A 385 -10.089 -7.813 -7.231 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.588 -6.867 -7.877 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.723 -8.884 -7.760 1.00 0.00 O ATOM 0 H ASP A 385 -8.757 -5.523 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.450 -6.169 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.873 -7.786 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.478 -8.444 -5.224 1.00 0.00 H new ATOM 481 N GLN A 386 -10.979 -7.132 -3.019 1.00 0.00 N ATOM 482 CA GLN A 386 -10.948 -7.159 -1.558 1.00 0.00 C ATOM 483 C GLN A 386 -9.515 -7.082 -1.041 1.00 0.00 C ATOM 484 O GLN A 386 -9.176 -6.196 -0.257 1.00 0.00 O ATOM 485 CB GLN A 386 -11.622 -8.430 -1.038 1.00 0.00 C ATOM 486 CG GLN A 386 -11.656 -8.522 0.479 1.00 0.00 C ATOM 487 CD GLN A 386 -12.367 -9.768 0.971 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.950 -10.889 0.682 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.449 -9.575 1.717 1.00 0.00 N ATOM 0 H GLN A 386 -11.560 -7.855 -3.443 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.493 -6.289 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.642 -8.473 -1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.097 -9.299 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.636 -8.515 0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.155 -7.640 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.758 -8.627 1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.971 -10.375 2.075 1.00 0.00 H new ATOM 498 N ASN A 387 -8.677 -8.005 -1.496 1.00 0.00 N ATOM 499 CA ASN A 387 -7.281 -8.035 -1.092 1.00 0.00 C ATOM 500 C ASN A 387 -6.532 -6.825 -1.642 1.00 0.00 C ATOM 501 O ASN A 387 -5.597 -6.323 -1.019 1.00 0.00 O ATOM 502 CB ASN A 387 -6.623 -9.326 -1.579 1.00 0.00 C ATOM 503 CG ASN A 387 -5.137 -9.354 -1.306 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.701 -9.306 -0.156 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.350 -9.430 -2.369 1.00 0.00 N ATOM 0 H ASN A 387 -8.943 -8.744 -2.147 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.237 -8.000 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.095 -10.178 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.795 -9.437 -2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.337 -9.451 -2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.757 -9.468 -3.303 1.00 0.00 H new ATOM 512 N GLU A 388 -6.953 -6.364 -2.816 1.00 0.00 N ATOM 513 CA GLU A 388 -6.329 -5.217 -3.463 1.00 0.00 C ATOM 514 C GLU A 388 -6.749 -3.912 -2.803 1.00 0.00 C ATOM 515 O GLU A 388 -6.103 -2.882 -2.991 1.00 0.00 O ATOM 516 CB GLU A 388 -6.675 -5.191 -4.951 1.00 0.00 C ATOM 517 CG GLU A 388 -6.167 -6.402 -5.715 1.00 0.00 C ATOM 518 CD GLU A 388 -6.518 -6.348 -7.189 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.101 -5.384 -7.864 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.211 -7.270 -7.668 1.00 0.00 O ATOM 0 H GLU A 388 -7.728 -6.770 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.249 -5.319 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.758 -5.129 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.257 -4.289 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.085 -6.469 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.589 -7.307 -5.277 1.00 0.00 H new ATOM 527 N CYS A 389 -7.830 -3.955 -2.027 1.00 0.00 N ATOM 528 CA CYS A 389 -8.308 -2.763 -1.345 1.00 0.00 C ATOM 529 C CYS A 389 -7.193 -2.227 -0.455 1.00 0.00 C ATOM 530 O CYS A 389 -6.965 -2.723 0.649 1.00 0.00 O ATOM 531 CB CYS A 389 -9.564 -3.080 -0.527 1.00 0.00 C ATOM 532 SG CYS A 389 -10.524 -1.613 -0.027 1.00 0.00 S ATOM 0 H CYS A 389 -8.384 -4.795 -1.858 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.579 -2.002 -2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.207 -3.739 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.272 -3.630 0.367 1.00 0.00 H new ATOM 537 N LYS A 390 -6.471 -1.240 -0.973 1.00 0.00 N ATOM 538 CA LYS A 390 -5.334 -0.654 -0.268 1.00 0.00 C ATOM 539 C LYS A 390 -5.759 0.159 0.953 1.00 0.00 C ATOM 540 O LYS A 390 -6.926 0.517 1.103 1.00 0.00 O ATOM 541 CB LYS A 390 -4.523 0.206 -1.230 1.00 0.00 C ATOM 542 CG LYS A 390 -3.906 -0.591 -2.373 1.00 0.00 C ATOM 543 CD LYS A 390 -2.829 -1.541 -1.874 1.00 0.00 C ATOM 544 CE LYS A 390 -2.187 -2.305 -3.020 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.184 -3.104 -3.786 1.00 0.00 N ATOM 0 H LYS A 390 -6.654 -0.825 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.717 -1.472 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.166 0.983 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.730 0.709 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.684 -1.158 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.478 0.093 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.065 -0.978 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.263 -2.245 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.692 -1.603 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.416 -2.968 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.818 -4.066 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -4.075 -3.151 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.356 -2.654 -4.708 1.00 0.00 H new ATOM 559 N SER A 391 -4.792 0.425 1.832 1.00 0.00 N ATOM 560 CA SER A 391 -5.044 1.174 3.062 1.00 0.00 C ATOM 561 C SER A 391 -5.735 2.510 2.779 1.00 0.00 C ATOM 562 O SER A 391 -6.788 2.789 3.354 1.00 0.00 O ATOM 563 CB SER A 391 -3.740 1.407 3.828 1.00 0.00 C ATOM 564 OG SER A 391 -3.973 2.122 5.029 1.00 0.00 O ATOM 0 H SER A 391 -3.823 0.131 1.713 1.00 0.00 H new ATOM 0 HA SER A 391 -5.715 0.574 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.273 0.449 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.041 1.961 3.201 1.00 0.00 H new ATOM 0 HG SER A 391 -3.124 2.256 5.500 1.00 0.00 H new ATOM 570 N PRO A 392 -5.172 3.359 1.888 1.00 0.00 N ATOM 571 CA PRO A 392 -5.773 4.648 1.554 1.00 0.00 C ATOM 572 C PRO A 392 -7.241 4.495 1.190 1.00 0.00 C ATOM 573 O PRO A 392 -8.060 5.373 1.460 1.00 0.00 O ATOM 574 CB PRO A 392 -4.966 5.122 0.333 1.00 0.00 C ATOM 575 CG PRO A 392 -4.173 3.941 -0.107 1.00 0.00 C ATOM 576 CD PRO A 392 -3.931 3.150 1.132 1.00 0.00 C ATOM 0 HA PRO A 392 -5.742 5.348 2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.626 5.469 -0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.315 5.956 0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.717 3.355 -0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.234 4.247 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.761 2.096 0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.058 3.507 1.678 1.00 0.00 H new ATOM 584 N CYS A 393 -7.560 3.363 0.571 1.00 0.00 N ATOM 585 CA CYS A 393 -8.921 3.065 0.156 1.00 0.00 C ATOM 586 C CYS A 393 -9.848 2.916 1.357 1.00 0.00 C ATOM 587 O CYS A 393 -9.580 3.443 2.437 1.00 0.00 O ATOM 588 CB CYS A 393 -8.935 1.783 -0.676 1.00 0.00 C ATOM 589 SG CYS A 393 -7.821 1.817 -2.117 1.00 0.00 S ATOM 0 H CYS A 393 -6.885 2.632 0.345 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.284 3.898 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.658 0.945 -0.036 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.952 1.598 -1.021 1.00 0.00 H new ATOM 594 N LYS A 394 -10.939 2.190 1.155 1.00 0.00 N ATOM 595 CA LYS A 394 -11.916 1.958 2.211 1.00 0.00 C ATOM 596 C LYS A 394 -12.792 0.766 1.857 1.00 0.00 C ATOM 597 O LYS A 394 -13.552 0.804 0.889 1.00 0.00 O ATOM 598 CB LYS A 394 -12.782 3.204 2.412 1.00 0.00 C ATOM 599 CG LYS A 394 -13.702 3.126 3.620 1.00 0.00 C ATOM 600 CD LYS A 394 -12.919 3.175 4.920 1.00 0.00 C ATOM 601 CE LYS A 394 -12.249 4.523 5.111 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.241 5.625 5.237 1.00 0.00 N ATOM 0 H LYS A 394 -11.171 1.749 0.265 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.386 1.745 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.132 4.073 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.385 3.364 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.413 3.952 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.282 2.204 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.588 2.977 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.165 2.388 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.624 4.494 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -11.590 4.723 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.807 6.427 5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.543 5.931 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.067 5.289 5.772 1.00 0.00 H new ATOM 616 N TRP A 395 -12.670 -0.299 2.639 1.00 0.00 N ATOM 617 CA TRP A 395 -13.439 -1.510 2.397 1.00 0.00 C ATOM 618 C TRP A 395 -14.877 -1.362 2.881 1.00 0.00 C ATOM 619 O TRP A 395 -15.127 -0.851 3.972 1.00 0.00 O ATOM 620 CB TRP A 395 -12.780 -2.706 3.084 1.00 0.00 C ATOM 621 CG TRP A 395 -13.408 -4.017 2.721 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.910 -4.951 3.581 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.594 -4.543 1.402 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.402 -6.024 2.877 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.218 -5.798 1.538 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.295 -4.075 0.117 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.549 -6.588 0.440 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.623 -4.862 -0.970 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.244 -6.106 -0.803 1.00 0.00 C ATOM 0 H TRP A 395 -12.046 -0.348 3.445 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.458 -1.680 1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.723 -2.731 2.819 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.835 -2.571 4.164 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.919 -4.860 4.657 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.834 -6.853 3.285 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.817 -3.117 -0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.029 -7.547 0.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.396 -4.512 -1.966 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.487 -6.697 -1.674 1.00 0.00 H new ATOM 640 N HIS A 396 -15.819 -1.826 2.064 1.00 0.00 N ATOM 641 CA HIS A 396 -17.232 -1.759 2.413 1.00 0.00 C ATOM 642 C HIS A 396 -17.831 -3.158 2.492 1.00 0.00 C ATOM 643 O HIS A 396 -18.007 -3.830 1.472 1.00 0.00 O ATOM 644 CB HIS A 396 -17.999 -0.916 1.393 1.00 0.00 C ATOM 645 CG HIS A 396 -17.544 0.509 1.334 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.553 1.346 2.430 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.066 1.247 0.305 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.102 2.536 2.077 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.799 2.502 0.792 1.00 0.00 N ATOM 0 H HIS A 396 -15.628 -2.252 1.157 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.318 -1.286 3.391 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.889 -1.365 0.406 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.061 -0.940 1.638 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.860 1.086 3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.921 0.911 -0.711 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.999 3.391 2.728 1.00 0.00 H new ATOM 658 N ASN A 397 -18.137 -3.584 3.715 1.00 0.00 N ATOM 659 CA ASN A 397 -18.715 -4.902 3.959 1.00 0.00 C ATOM 660 C ASN A 397 -20.216 -4.901 3.680 1.00 0.00 C ATOM 661 O ASN A 397 -20.912 -3.930 3.979 1.00 0.00 O ATOM 662 CB ASN A 397 -18.440 -5.335 5.402 1.00 0.00 C ATOM 663 CG ASN A 397 -18.972 -6.721 5.709 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.179 -6.954 5.689 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.068 -7.652 5.993 1.00 0.00 N ATOM 0 H ASN A 397 -17.992 -3.030 4.559 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.247 -5.614 3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.366 -5.314 5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.893 -4.617 6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.366 -8.604 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.076 -7.415 5.998 1.00 0.00 H new ATOM 672 N ASP A 398 -20.701 -5.995 3.098 1.00 0.00 N ATOM 673 CA ASP A 398 -22.117 -6.132 2.764 1.00 0.00 C ATOM 674 C ASP A 398 -22.580 -5.001 1.854 1.00 0.00 C ATOM 675 O ASP A 398 -23.714 -4.532 1.954 1.00 0.00 O ATOM 676 CB ASP A 398 -22.972 -6.170 4.034 1.00 0.00 C ATOM 677 CG ASP A 398 -22.792 -7.454 4.821 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.029 -8.331 4.361 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.415 -7.586 5.895 1.00 0.00 O ATOM 0 H ASP A 398 -20.132 -6.803 2.847 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.241 -7.074 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.713 -5.321 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.022 -6.058 3.764 1.00 0.00 H new ATOM 684 N ALA A 399 -21.697 -4.575 0.954 1.00 0.00 N ATOM 685 CA ALA A 399 -22.016 -3.510 0.012 1.00 0.00 C ATOM 686 C ALA A 399 -22.792 -4.063 -1.177 1.00 0.00 C ATOM 687 O ALA A 399 -22.586 -3.642 -2.317 1.00 0.00 O ATOM 688 CB ALA A 399 -20.745 -2.829 -0.460 1.00 0.00 C ATOM 0 H ALA A 399 -20.754 -4.953 0.859 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.640 -2.774 0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.997 -2.035 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.221 -2.403 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.102 -3.559 -0.952 1.00 0.00 H new ATOM 694 N GLU A 400 -23.664 -5.028 -0.891 1.00 0.00 N ATOM 695 CA GLU A 400 -24.480 -5.694 -1.905 1.00 0.00 C ATOM 696 C GLU A 400 -23.639 -6.707 -2.670 1.00 0.00 C ATOM 697 O GLU A 400 -24.138 -7.747 -3.100 1.00 0.00 O ATOM 698 CB GLU A 400 -25.103 -4.682 -2.872 1.00 0.00 C ATOM 699 CG GLU A 400 -25.989 -3.654 -2.187 1.00 0.00 C ATOM 700 CD GLU A 400 -26.595 -2.663 -3.163 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.332 -3.099 -4.071 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.332 -1.451 -3.018 1.00 0.00 O ATOM 0 H GLU A 400 -23.825 -5.372 0.056 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.292 -6.214 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.306 -4.165 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.691 -5.218 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.789 -4.167 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.404 -3.114 -1.443 1.00 0.00 H new ATOM 709 N ASN A 401 -22.358 -6.389 -2.823 1.00 0.00 N ATOM 710 CA ASN A 401 -21.415 -7.244 -3.529 1.00 0.00 C ATOM 711 C ASN A 401 -19.988 -6.841 -3.179 1.00 0.00 C ATOM 712 O ASN A 401 -19.059 -7.064 -3.957 1.00 0.00 O ATOM 713 CB ASN A 401 -21.630 -7.108 -5.031 1.00 0.00 C ATOM 714 CG ASN A 401 -22.906 -7.772 -5.503 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.995 -8.998 -5.579 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.912 -6.961 -5.793 1.00 0.00 N ATOM 0 H ASN A 401 -21.945 -5.530 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.577 -8.280 -3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.657 -6.051 -5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.782 -7.547 -5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.807 -7.346 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.792 -5.951 -5.715 1.00 0.00 H new ATOM 723 N LYS A 402 -19.834 -6.234 -2.003 1.00 0.00 N ATOM 724 CA LYS A 402 -18.531 -5.772 -1.525 1.00 0.00 C ATOM 725 C LYS A 402 -18.000 -4.653 -2.418 1.00 0.00 C ATOM 726 O LYS A 402 -18.019 -4.768 -3.644 1.00 0.00 O ATOM 727 CB LYS A 402 -17.530 -6.931 -1.481 1.00 0.00 C ATOM 728 CG LYS A 402 -17.977 -8.091 -0.603 1.00 0.00 C ATOM 729 CD LYS A 402 -18.123 -7.672 0.852 1.00 0.00 C ATOM 730 CE LYS A 402 -18.613 -8.824 1.715 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.690 -9.992 1.661 1.00 0.00 N ATOM 0 H LYS A 402 -20.603 -6.049 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.657 -5.383 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.365 -7.296 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.572 -6.559 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.929 -8.478 -0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.254 -8.903 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.164 -7.316 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.822 -6.839 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.712 -8.487 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.605 -9.130 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.933 -10.662 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.781 -10.464 0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.710 -9.667 1.788 1.00 0.00 H new ATOM 745 N LYS A 403 -17.539 -3.563 -1.807 1.00 0.00 N ATOM 746 CA LYS A 403 -17.029 -2.430 -2.577 1.00 0.00 C ATOM 747 C LYS A 403 -15.866 -1.730 -1.873 1.00 0.00 C ATOM 748 O LYS A 403 -15.881 -1.541 -0.658 1.00 0.00 O ATOM 749 CB LYS A 403 -18.149 -1.419 -2.833 1.00 0.00 C ATOM 750 CG LYS A 403 -19.360 -2.013 -3.537 1.00 0.00 C ATOM 751 CD LYS A 403 -20.400 -0.951 -3.860 1.00 0.00 C ATOM 752 CE LYS A 403 -19.871 0.071 -4.853 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.508 -0.555 -6.155 1.00 0.00 N ATOM 0 H LYS A 403 -17.508 -3.440 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.660 -2.826 -3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.466 -0.993 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.756 -0.599 -3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.042 -2.503 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.808 -2.781 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.292 -1.427 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.700 -0.445 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.625 0.841 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.996 0.567 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.380 0.186 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.622 -1.090 -6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.268 -1.199 -6.454 1.00 0.00 H new ATOM 767 N CYS A 404 -14.866 -1.331 -2.660 1.00 0.00 N ATOM 768 CA CYS A 404 -13.697 -0.628 -2.136 1.00 0.00 C ATOM 769 C CYS A 404 -13.597 0.758 -2.775 1.00 0.00 C ATOM 770 O CYS A 404 -13.734 0.897 -3.989 1.00 0.00 O ATOM 771 CB CYS A 404 -12.419 -1.428 -2.414 1.00 0.00 C ATOM 772 SG CYS A 404 -10.895 -0.649 -1.783 1.00 0.00 S ATOM 0 H CYS A 404 -14.844 -1.484 -3.668 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.808 -0.519 -1.057 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.519 -2.417 -1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.321 -1.572 -3.490 1.00 0.00 H new ATOM 777 N THR A 405 -13.369 1.781 -1.953 1.00 0.00 N ATOM 778 CA THR A 405 -13.269 3.152 -2.451 1.00 0.00 C ATOM 779 C THR A 405 -12.236 3.958 -1.671 1.00 0.00 C ATOM 780 O THR A 405 -12.084 3.787 -0.463 1.00 0.00 O ATOM 781 CB THR A 405 -14.625 3.880 -2.377 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.071 3.949 -1.017 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.673 3.169 -3.220 1.00 0.00 C ATOM 0 H THR A 405 -13.251 1.688 -0.944 1.00 0.00 H new ATOM 0 HA THR A 405 -12.956 3.079 -3.492 1.00 0.00 H new ATOM 0 HB THR A 405 -14.489 4.888 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.698 3.217 -0.841 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.620 3.704 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.347 3.143 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.804 2.150 -2.855 1.00 0.00 H new ATOM 791 N LEU A 406 -11.527 4.838 -2.374 1.00 0.00 N ATOM 792 CA LEU A 406 -10.505 5.672 -1.757 1.00 0.00 C ATOM 793 C LEU A 406 -11.123 6.648 -0.769 1.00 0.00 C ATOM 794 O LEU A 406 -12.208 7.183 -1.000 1.00 0.00 O ATOM 795 CB LEU A 406 -9.717 6.418 -2.834 1.00 0.00 C ATOM 796 CG LEU A 406 -8.430 7.113 -2.378 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.733 8.438 -1.704 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.625 6.210 -1.456 1.00 0.00 C ATOM 0 H LEU A 406 -11.644 4.990 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.820 5.028 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.462 5.710 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.371 7.168 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.829 7.318 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.801 8.909 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.252 9.092 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.364 8.267 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.716 6.725 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.221 5.963 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.361 5.294 -1.984 1.00 0.00 H new ATOM 810 N ASP A 407 -10.421 6.871 0.330 1.00 0.00 N ATOM 811 CA ASP A 407 -10.889 7.783 1.366 1.00 0.00 C ATOM 812 C ASP A 407 -9.878 8.900 1.580 1.00 0.00 C ATOM 813 O ASP A 407 -8.682 8.646 1.716 1.00 0.00 O ATOM 814 CB ASP A 407 -11.121 7.026 2.678 1.00 0.00 C ATOM 815 CG ASP A 407 -11.746 7.904 3.745 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.869 8.403 3.519 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.113 8.094 4.804 1.00 0.00 O ATOM 0 H ASP A 407 -9.522 6.432 0.530 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.834 8.220 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.768 6.169 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.171 6.635 3.042 1.00 0.00 H new ATOM 822 N LYS A 408 -10.359 10.138 1.602 1.00 0.00 N ATOM 823 CA LYS A 408 -9.485 11.288 1.792 1.00 0.00 C ATOM 824 C LYS A 408 -8.827 11.257 3.168 1.00 0.00 C ATOM 825 O LYS A 408 -7.620 11.446 3.288 1.00 0.00 O ATOM 826 CB LYS A 408 -10.267 12.590 1.621 1.00 0.00 C ATOM 827 CG LYS A 408 -10.929 12.728 0.259 1.00 0.00 C ATOM 828 CD LYS A 408 -11.664 14.052 0.129 1.00 0.00 C ATOM 829 CE LYS A 408 -12.324 14.190 -1.233 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.319 13.111 -1.481 1.00 0.00 N ATOM 0 H LYS A 408 -11.346 10.370 1.491 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.703 11.240 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.032 12.649 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.592 13.432 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.174 12.651 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.629 11.906 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.420 14.128 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.965 14.874 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.816 15.160 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.560 14.165 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.888 13.349 -2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.823 12.212 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.943 13.017 -0.654 1.00 0.00 H new ATOM 844 N GLU A 409 -9.630 11.014 4.201 1.00 0.00 N ATOM 845 CA GLU A 409 -9.122 10.960 5.569 1.00 0.00 C ATOM 846 C GLU A 409 -7.996 9.937 5.690 1.00 0.00 C ATOM 847 O GLU A 409 -6.930 10.233 6.232 1.00 0.00 O ATOM 848 CB GLU A 409 -10.250 10.611 6.542 1.00 0.00 C ATOM 849 CG GLU A 409 -11.390 11.617 6.539 1.00 0.00 C ATOM 850 CD GLU A 409 -12.498 11.245 7.506 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.218 11.148 8.719 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.644 11.051 7.050 1.00 0.00 O ATOM 0 H GLU A 409 -10.633 10.852 4.117 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.726 11.943 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.645 9.627 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.841 10.542 7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.001 12.602 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.801 11.692 5.532 1.00 0.00 H new ATOM 859 N GLU A 410 -8.239 8.737 5.174 1.00 0.00 N ATOM 860 CA GLU A 410 -7.243 7.674 5.214 1.00 0.00 C ATOM 861 C GLU A 410 -6.010 8.070 4.415 1.00 0.00 C ATOM 862 O GLU A 410 -4.881 7.889 4.867 1.00 0.00 O ATOM 863 CB GLU A 410 -7.829 6.371 4.665 1.00 0.00 C ATOM 864 CG GLU A 410 -9.034 5.866 5.442 1.00 0.00 C ATOM 865 CD GLU A 410 -8.701 5.486 6.874 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.514 5.570 7.253 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.628 5.098 7.615 1.00 0.00 O ATOM 0 H GLU A 410 -9.116 8.477 4.724 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.951 7.516 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.117 6.523 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.055 5.603 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.805 6.636 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.452 4.999 4.930 1.00 0.00 H new ATOM 874 N ALA A 411 -6.239 8.618 3.225 1.00 0.00 N ATOM 875 CA ALA A 411 -5.149 9.053 2.358 1.00 0.00 C ATOM 876 C ALA A 411 -4.260 10.068 3.066 1.00 0.00 C ATOM 877 O ALA A 411 -3.041 10.060 2.908 1.00 0.00 O ATOM 878 CB ALA A 411 -5.708 9.642 1.071 1.00 0.00 C ATOM 0 H ALA A 411 -7.171 8.771 2.839 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.538 8.184 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.886 9.964 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.298 8.887 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.340 10.498 1.307 1.00 0.00 H new ATOM 884 N LYS A 412 -4.877 10.939 3.854 1.00 0.00 N ATOM 885 CA LYS A 412 -4.137 11.951 4.594 1.00 0.00 C ATOM 886 C LYS A 412 -3.182 11.290 5.581 1.00 0.00 C ATOM 887 O LYS A 412 -2.021 11.680 5.695 1.00 0.00 O ATOM 888 CB LYS A 412 -5.105 12.876 5.333 1.00 0.00 C ATOM 889 CG LYS A 412 -6.001 13.683 4.408 1.00 0.00 C ATOM 890 CD LYS A 412 -7.050 14.467 5.182 1.00 0.00 C ATOM 891 CE LYS A 412 -6.416 15.508 6.094 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.439 16.288 6.844 1.00 0.00 N ATOM 0 H LYS A 412 -5.887 10.965 3.997 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.554 12.544 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.728 12.279 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.533 13.560 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.392 14.371 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.494 13.013 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.726 14.959 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.652 13.780 5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.748 15.014 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.806 16.188 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.966 16.986 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -8.061 16.781 6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.005 15.643 7.431 1.00 0.00 H new