USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=13 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 394 LYS NZ :NH3+ -124:sc= -4.79! (180deg=-7.68!) USER MOD Set 1.2: A 396 HIS : no HD1:sc= -2.84! C(o=-7.6!,f=-7.7!) USER MOD Set 1.3: A 405 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -34:sc= -0.247! USER MOD Single : A 382 ASN :FLIP amide:sc= -3.06! C(o=-8.2!,f=-3.1!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -128:sc= -0.0374 (180deg=-2.05!) USER MOD Single : A 386 GLN : amide:sc= 0.0888 X(o=0.089,f=0) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.389 F(o=-1.6,f=-0.39) USER MOD Single : A 390 LYS NZ :NH3+ -130:sc= 0.0761 (180deg=-0.233) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 397 ASN :FLIP amide:sc= -0.685 F(o=-6.7!,f=-0.69) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.1 F(o=-3.2!,f=-0.1) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc=-0.000173 (180deg=-0.000173) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= -0.0442 (180deg=-0.215) USER MOD Single : A 412 LYS NZ :NH3+ 160:sc= -0.0907 (180deg=-0.509) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.231 5.606 -3.435 1.00 0.00 N ATOM 340 CA GLU A 376 -3.997 5.346 -4.645 1.00 0.00 C ATOM 341 C GLU A 376 -4.975 6.486 -4.929 1.00 0.00 C ATOM 342 O GLU A 376 -4.737 7.630 -4.541 1.00 0.00 O ATOM 343 CB GLU A 376 -4.748 4.018 -4.496 1.00 0.00 C ATOM 344 CG GLU A 376 -3.845 2.850 -4.133 1.00 0.00 C ATOM 345 CD GLU A 376 -2.833 2.536 -5.217 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.255 2.224 -6.350 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.619 2.602 -4.934 1.00 0.00 O ATOM 0 HA GLU A 376 -3.311 5.280 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.515 4.127 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.262 3.793 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.320 3.077 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.457 1.967 -3.946 1.00 0.00 H new ATOM 354 N THR A 377 -6.074 6.164 -5.604 1.00 0.00 N ATOM 355 CA THR A 377 -7.092 7.149 -5.946 1.00 0.00 C ATOM 356 C THR A 377 -8.465 6.497 -5.979 1.00 0.00 C ATOM 357 O THR A 377 -8.578 5.290 -6.190 1.00 0.00 O ATOM 358 CB THR A 377 -6.814 7.808 -7.310 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.832 6.817 -8.345 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.470 8.518 -7.305 1.00 0.00 C ATOM 0 H THR A 377 -6.282 5.219 -5.927 1.00 0.00 H new ATOM 0 HA THR A 377 -7.065 7.922 -5.178 1.00 0.00 H new ATOM 0 HB THR A 377 -7.595 8.545 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.656 7.244 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.296 8.975 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.470 9.291 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.679 7.798 -7.096 1.00 0.00 H new ATOM 368 N GLU A 378 -9.502 7.294 -5.751 1.00 0.00 N ATOM 369 CA GLU A 378 -10.868 6.785 -5.735 1.00 0.00 C ATOM 370 C GLU A 378 -11.134 5.888 -6.936 1.00 0.00 C ATOM 371 O GLU A 378 -11.766 4.840 -6.812 1.00 0.00 O ATOM 372 CB GLU A 378 -11.864 7.945 -5.718 1.00 0.00 C ATOM 373 CG GLU A 378 -13.312 7.503 -5.579 1.00 0.00 C ATOM 374 CD GLU A 378 -14.282 8.668 -5.602 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.166 9.555 -4.730 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.158 8.692 -6.492 1.00 0.00 O ATOM 0 H GLU A 378 -9.423 8.296 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.995 6.190 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.616 8.613 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.755 8.520 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.557 6.815 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.432 6.953 -4.645 1.00 0.00 H new ATOM 383 N GLY A 379 -10.652 6.310 -8.094 1.00 0.00 N ATOM 384 CA GLY A 379 -10.852 5.537 -9.301 1.00 0.00 C ATOM 385 C GLY A 379 -10.180 4.181 -9.266 1.00 0.00 C ATOM 386 O GLY A 379 -10.746 3.194 -9.737 1.00 0.00 O ATOM 0 H GLY A 379 -10.126 7.175 -8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.921 5.400 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.471 6.101 -10.152 1.00 0.00 H new ATOM 390 N SER A 380 -8.973 4.125 -8.719 1.00 0.00 N ATOM 391 CA SER A 380 -8.237 2.866 -8.648 1.00 0.00 C ATOM 392 C SER A 380 -8.845 1.921 -7.615 1.00 0.00 C ATOM 393 O SER A 380 -9.066 0.745 -7.895 1.00 0.00 O ATOM 394 CB SER A 380 -6.768 3.124 -8.312 1.00 0.00 C ATOM 395 OG SER A 380 -6.631 3.727 -7.039 1.00 0.00 O ATOM 0 H SER A 380 -8.485 4.927 -8.321 1.00 0.00 H new ATOM 0 HA SER A 380 -8.304 2.391 -9.627 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.217 2.184 -8.333 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.327 3.769 -9.072 1.00 0.00 H new ATOM 0 HG SER A 380 -7.389 4.328 -6.878 1.00 0.00 H new ATOM 401 N CYS A 381 -9.099 2.442 -6.419 1.00 0.00 N ATOM 402 CA CYS A 381 -9.662 1.647 -5.328 1.00 0.00 C ATOM 403 C CYS A 381 -10.929 0.902 -5.744 1.00 0.00 C ATOM 404 O CYS A 381 -11.083 -0.281 -5.444 1.00 0.00 O ATOM 405 CB CYS A 381 -9.960 2.542 -4.127 1.00 0.00 C ATOM 406 SG CYS A 381 -8.480 3.302 -3.386 1.00 0.00 S ATOM 0 H CYS A 381 -8.923 3.417 -6.178 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.917 0.899 -5.058 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.645 3.331 -4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.473 1.954 -3.367 1.00 0.00 H new ATOM 411 N ASN A 382 -11.835 1.598 -6.421 1.00 0.00 N ATOM 412 CA ASN A 382 -13.089 0.990 -6.860 1.00 0.00 C ATOM 413 C ASN A 382 -12.834 -0.280 -7.662 1.00 0.00 C ATOM 414 O ASN A 382 -13.677 -1.176 -7.712 1.00 0.00 O ATOM 415 CB ASN A 382 -13.898 1.974 -7.710 1.00 0.00 C ATOM 416 CG ASN A 382 -14.168 3.290 -7.004 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.702 3.417 -5.768 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.796 4.187 -7.568 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.727 2.579 -6.678 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.658 0.733 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.361 2.170 -8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.848 1.514 -7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.138 4.050 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.974 5.067 -7.084 1.00 0.00 H new ATOM 425 N LYS A 383 -11.673 -0.342 -8.301 1.00 0.00 N ATOM 426 CA LYS A 383 -11.309 -1.489 -9.118 1.00 0.00 C ATOM 427 C LYS A 383 -10.644 -2.579 -8.283 1.00 0.00 C ATOM 428 O LYS A 383 -10.795 -3.768 -8.564 1.00 0.00 O ATOM 429 CB LYS A 383 -10.374 -1.042 -10.243 1.00 0.00 C ATOM 430 CG LYS A 383 -10.865 0.196 -10.984 1.00 0.00 C ATOM 431 CD LYS A 383 -12.250 -0.014 -11.575 1.00 0.00 C ATOM 432 CE LYS A 383 -12.690 1.180 -12.405 1.00 0.00 C ATOM 433 NZ LYS A 383 -14.031 0.965 -13.017 1.00 0.00 N ATOM 0 H LYS A 383 -10.966 0.392 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.220 -1.908 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.388 -0.839 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.257 -1.859 -10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.886 1.045 -10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.164 0.445 -11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.249 -0.910 -12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.967 -0.184 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.716 2.070 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.958 1.366 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -14.296 1.801 -13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -14.000 0.131 -13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -14.735 0.813 -12.267 1.00 0.00 H new ATOM 447 N LYS A 384 -9.897 -2.164 -7.266 1.00 0.00 N ATOM 448 CA LYS A 384 -9.192 -3.095 -6.399 1.00 0.00 C ATOM 449 C LYS A 384 -10.146 -4.027 -5.658 1.00 0.00 C ATOM 450 O LYS A 384 -11.086 -3.578 -5.001 1.00 0.00 O ATOM 451 CB LYS A 384 -8.344 -2.311 -5.398 1.00 0.00 C ATOM 452 CG LYS A 384 -6.994 -1.846 -5.938 1.00 0.00 C ATOM 453 CD LYS A 384 -7.079 -1.272 -7.346 1.00 0.00 C ATOM 454 CE LYS A 384 -6.842 -2.337 -8.408 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.894 -1.770 -9.784 1.00 0.00 N ATOM 0 H LYS A 384 -9.765 -1.182 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.554 -3.718 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.908 -1.439 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.175 -2.933 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.582 -1.091 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.300 -2.686 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.060 -0.822 -7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.343 -0.476 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.871 -2.803 -8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.593 -3.121 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.556 -2.325 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.217 -0.782 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.946 -1.806 -10.210 1.00 0.00 H new ATOM 469 N ASP A 385 -9.879 -5.326 -5.753 1.00 0.00 N ATOM 470 CA ASP A 385 -10.693 -6.326 -5.075 1.00 0.00 C ATOM 471 C ASP A 385 -10.456 -6.248 -3.573 1.00 0.00 C ATOM 472 O ASP A 385 -9.667 -5.427 -3.112 1.00 0.00 O ATOM 473 CB ASP A 385 -10.360 -7.728 -5.590 1.00 0.00 C ATOM 474 CG ASP A 385 -10.630 -7.884 -7.075 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.088 -6.905 -7.702 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.385 -8.985 -7.610 1.00 0.00 O ATOM 0 H ASP A 385 -9.104 -5.710 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.744 -6.125 -5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.310 -7.944 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.947 -8.462 -5.039 1.00 0.00 H new ATOM 481 N GLN A 386 -11.136 -7.100 -2.811 1.00 0.00 N ATOM 482 CA GLN A 386 -10.989 -7.107 -1.358 1.00 0.00 C ATOM 483 C GLN A 386 -9.516 -7.091 -0.957 1.00 0.00 C ATOM 484 O GLN A 386 -9.082 -6.234 -0.187 1.00 0.00 O ATOM 485 CB GLN A 386 -11.677 -8.338 -0.762 1.00 0.00 C ATOM 486 CG GLN A 386 -11.684 -8.357 0.758 1.00 0.00 C ATOM 487 CD GLN A 386 -12.371 -9.587 1.321 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.940 -10.715 1.082 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.447 -9.374 2.069 1.00 0.00 N ATOM 0 H GLN A 386 -11.792 -7.792 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.462 -6.207 -0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.705 -8.379 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.176 -9.235 -1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.658 -8.319 1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.187 -7.463 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.768 -8.421 2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.952 -10.163 2.472 1.00 0.00 H new ATOM 498 N ASN A 387 -8.752 -8.035 -1.493 1.00 0.00 N ATOM 499 CA ASN A 387 -7.329 -8.130 -1.201 1.00 0.00 C ATOM 500 C ASN A 387 -6.577 -6.929 -1.774 1.00 0.00 C ATOM 501 O ASN A 387 -5.613 -6.444 -1.183 1.00 0.00 O ATOM 502 CB ASN A 387 -6.770 -9.433 -1.785 1.00 0.00 C ATOM 503 CG ASN A 387 -5.312 -9.687 -1.436 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.736 -8.852 -0.579 1.00 0.00 O flip ATOM 505 ND2 ASN A 387 -4.709 -10.643 -1.926 1.00 0.00 N flip ATOM 0 H ASN A 387 -9.097 -8.748 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.192 -8.131 -0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.371 -10.268 -1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.875 -9.408 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.184 -11.264 -2.581 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -3.735 -10.814 -1.676 1.00 0.00 H new ATOM 512 N GLU A 388 -7.027 -6.457 -2.933 1.00 0.00 N ATOM 513 CA GLU A 388 -6.401 -5.318 -3.599 1.00 0.00 C ATOM 514 C GLU A 388 -6.751 -4.011 -2.905 1.00 0.00 C ATOM 515 O GLU A 388 -6.102 -2.990 -3.135 1.00 0.00 O ATOM 516 CB GLU A 388 -6.827 -5.268 -5.067 1.00 0.00 C ATOM 517 CG GLU A 388 -6.435 -6.505 -5.857 1.00 0.00 C ATOM 518 CD GLU A 388 -6.881 -6.437 -7.305 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.448 -5.507 -8.017 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.664 -7.315 -7.728 1.00 0.00 O ATOM 0 H GLU A 388 -7.826 -6.847 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.320 -5.447 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.908 -5.142 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.381 -4.391 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.353 -6.628 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.872 -7.386 -5.387 1.00 0.00 H new ATOM 527 N CYS A 389 -7.773 -4.042 -2.056 1.00 0.00 N ATOM 528 CA CYS A 389 -8.190 -2.849 -1.335 1.00 0.00 C ATOM 529 C CYS A 389 -7.011 -2.307 -0.534 1.00 0.00 C ATOM 530 O CYS A 389 -6.703 -2.795 0.554 1.00 0.00 O ATOM 531 CB CYS A 389 -9.374 -3.171 -0.420 1.00 0.00 C ATOM 532 SG CYS A 389 -10.315 -1.711 0.133 1.00 0.00 S ATOM 0 H CYS A 389 -8.324 -4.876 -1.852 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.513 -2.087 -2.044 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.050 -3.847 -0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.006 -3.705 0.456 1.00 0.00 H new ATOM 537 N LYS A 390 -6.333 -1.318 -1.108 1.00 0.00 N ATOM 538 CA LYS A 390 -5.154 -0.720 -0.492 1.00 0.00 C ATOM 539 C LYS A 390 -5.500 0.110 0.739 1.00 0.00 C ATOM 540 O LYS A 390 -6.654 0.485 0.951 1.00 0.00 O ATOM 541 CB LYS A 390 -4.414 0.130 -1.518 1.00 0.00 C ATOM 542 CG LYS A 390 -3.834 -0.685 -2.665 1.00 0.00 C ATOM 543 CD LYS A 390 -2.662 -1.540 -2.206 1.00 0.00 C ATOM 544 CE LYS A 390 -2.085 -2.353 -3.353 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.084 -3.298 -3.923 1.00 0.00 N ATOM 0 H LYS A 390 -6.584 -0.910 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.509 -1.531 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.097 0.878 -1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.608 0.669 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.609 -1.325 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.507 -0.015 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.886 -0.900 -1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.988 -2.211 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.735 -1.679 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.217 -2.911 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.667 -4.248 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.923 -3.328 -3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.361 -2.979 -4.873 1.00 0.00 H new ATOM 559 N SER A 391 -4.482 0.375 1.554 1.00 0.00 N ATOM 560 CA SER A 391 -4.645 1.138 2.780 1.00 0.00 C ATOM 561 C SER A 391 -5.341 2.477 2.524 1.00 0.00 C ATOM 562 O SER A 391 -6.361 2.765 3.147 1.00 0.00 O ATOM 563 CB SER A 391 -3.282 1.354 3.437 1.00 0.00 C ATOM 564 OG SER A 391 -2.664 0.116 3.748 1.00 0.00 O ATOM 0 H SER A 391 -3.525 0.066 1.380 1.00 0.00 H new ATOM 0 HA SER A 391 -5.283 0.568 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.639 1.927 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.402 1.943 4.346 1.00 0.00 H new ATOM 0 HG SER A 391 -1.793 0.281 4.166 1.00 0.00 H new ATOM 570 N PRO A 392 -4.820 3.318 1.602 1.00 0.00 N ATOM 571 CA PRO A 392 -5.431 4.608 1.291 1.00 0.00 C ATOM 572 C PRO A 392 -6.918 4.464 1.008 1.00 0.00 C ATOM 573 O PRO A 392 -7.716 5.349 1.327 1.00 0.00 O ATOM 574 CB PRO A 392 -4.691 5.069 0.026 1.00 0.00 C ATOM 575 CG PRO A 392 -3.906 3.894 -0.439 1.00 0.00 C ATOM 576 CD PRO A 392 -3.618 3.099 0.788 1.00 0.00 C ATOM 0 HA PRO A 392 -5.350 5.312 2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.394 5.397 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.038 5.914 0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.470 3.307 -1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -2.984 4.207 -0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.469 2.043 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.717 3.447 1.294 1.00 0.00 H new ATOM 584 N CYS A 393 -7.281 3.337 0.407 1.00 0.00 N ATOM 585 CA CYS A 393 -8.668 3.058 0.074 1.00 0.00 C ATOM 586 C CYS A 393 -9.503 2.884 1.336 1.00 0.00 C ATOM 587 O CYS A 393 -9.131 3.350 2.411 1.00 0.00 O ATOM 588 CB CYS A 393 -8.752 1.791 -0.778 1.00 0.00 C ATOM 589 SG CYS A 393 -7.694 1.813 -2.261 1.00 0.00 S ATOM 0 H CYS A 393 -6.629 2.600 0.140 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.063 3.903 -0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.477 0.934 -0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.787 1.643 -1.086 1.00 0.00 H new ATOM 594 N LYS A 394 -10.626 2.196 1.194 1.00 0.00 N ATOM 595 CA LYS A 394 -11.517 1.940 2.315 1.00 0.00 C ATOM 596 C LYS A 394 -12.480 0.813 1.974 1.00 0.00 C ATOM 597 O LYS A 394 -13.252 0.904 1.021 1.00 0.00 O ATOM 598 CB LYS A 394 -12.287 3.210 2.686 1.00 0.00 C ATOM 599 CG LYS A 394 -13.219 3.034 3.875 1.00 0.00 C ATOM 600 CD LYS A 394 -13.841 4.354 4.315 1.00 0.00 C ATOM 601 CE LYS A 394 -14.795 4.914 3.269 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.085 5.385 2.048 1.00 0.00 N ATOM 0 H LYS A 394 -10.943 1.803 0.308 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.919 1.638 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.575 4.004 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.869 3.536 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.009 2.330 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.666 2.599 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.377 4.207 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.051 5.079 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -15.518 4.146 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.358 5.741 3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.325 6.381 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.058 5.295 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.376 4.808 1.233 1.00 0.00 H new ATOM 616 N TRP A 395 -12.410 -0.258 2.754 1.00 0.00 N ATOM 617 CA TRP A 395 -13.253 -1.421 2.531 1.00 0.00 C ATOM 618 C TRP A 395 -14.706 -1.143 2.907 1.00 0.00 C ATOM 619 O TRP A 395 -14.986 -0.389 3.839 1.00 0.00 O ATOM 620 CB TRP A 395 -12.726 -2.614 3.328 1.00 0.00 C ATOM 621 CG TRP A 395 -13.397 -3.907 2.976 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.964 -4.798 3.840 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.564 -4.457 1.663 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.480 -5.865 3.145 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.245 -5.680 1.809 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.206 -4.034 0.378 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.574 -6.484 0.720 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.533 -4.832 -0.701 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.211 -6.044 -0.523 1.00 0.00 C ATOM 0 H TRP A 395 -11.776 -0.343 3.548 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.222 -1.654 1.467 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.654 -2.711 3.157 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.863 -2.420 4.392 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.002 -4.682 4.913 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.960 -6.665 3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.683 -3.100 0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.096 -7.420 0.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.261 -4.516 -1.697 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.453 -6.645 -1.387 1.00 0.00 H new ATOM 640 N HIS A 396 -15.626 -1.769 2.175 1.00 0.00 N ATOM 641 CA HIS A 396 -17.053 -1.604 2.426 1.00 0.00 C ATOM 642 C HIS A 396 -17.766 -2.952 2.431 1.00 0.00 C ATOM 643 O HIS A 396 -18.111 -3.486 1.374 1.00 0.00 O ATOM 644 CB HIS A 396 -17.687 -0.697 1.369 1.00 0.00 C ATOM 645 CG HIS A 396 -17.354 0.750 1.540 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.723 1.477 2.652 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.689 1.611 0.733 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.302 2.721 2.521 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.670 2.828 1.367 1.00 0.00 N ATOM 0 H HIS A 396 -15.406 -2.396 1.402 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.163 -1.142 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.360 -1.022 0.381 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.770 -0.818 1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.255 1.383 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.450 3.516 3.237 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.237 3.678 1.005 1.00 0.00 H new ATOM 658 N ASN A 397 -17.997 -3.486 3.627 1.00 0.00 N ATOM 659 CA ASN A 397 -18.686 -4.761 3.772 1.00 0.00 C ATOM 660 C ASN A 397 -20.178 -4.532 4.008 1.00 0.00 C ATOM 661 O ASN A 397 -20.634 -4.463 5.150 1.00 0.00 O ATOM 662 CB ASN A 397 -18.077 -5.578 4.918 1.00 0.00 C ATOM 663 CG ASN A 397 -18.034 -4.832 6.246 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.499 -3.586 6.261 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -17.583 -5.377 7.254 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.717 -3.055 4.508 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.564 -5.328 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.653 -6.495 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.064 -5.873 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.235 -6.335 7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.557 -4.871 8.139 1.00 0.00 H new ATOM 672 N ASP A 398 -20.926 -4.416 2.915 1.00 0.00 N ATOM 673 CA ASP A 398 -22.368 -4.185 2.975 1.00 0.00 C ATOM 674 C ASP A 398 -22.920 -3.950 1.574 1.00 0.00 C ATOM 675 O ASP A 398 -24.123 -4.070 1.338 1.00 0.00 O ATOM 676 CB ASP A 398 -22.692 -2.980 3.864 1.00 0.00 C ATOM 677 CG ASP A 398 -22.069 -1.696 3.349 1.00 0.00 C ATOM 678 OD1 ASP A 398 -20.825 -1.641 3.241 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.824 -0.747 3.054 1.00 0.00 O ATOM 0 H ASP A 398 -20.554 -4.479 1.967 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.835 -5.071 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.773 -2.857 3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.336 -3.173 4.876 1.00 0.00 H new ATOM 684 N ALA A 399 -22.025 -3.604 0.652 1.00 0.00 N ATOM 685 CA ALA A 399 -22.398 -3.336 -0.732 1.00 0.00 C ATOM 686 C ALA A 399 -22.994 -4.569 -1.408 1.00 0.00 C ATOM 687 O ALA A 399 -23.347 -4.527 -2.587 1.00 0.00 O ATOM 688 CB ALA A 399 -21.186 -2.833 -1.507 1.00 0.00 C ATOM 0 H ALA A 399 -21.028 -3.502 0.842 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.169 -2.565 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.471 -2.635 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.817 -1.915 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.401 -3.589 -1.486 1.00 0.00 H new ATOM 694 N GLU A 400 -23.096 -5.653 -0.642 1.00 0.00 N ATOM 695 CA GLU A 400 -23.640 -6.926 -1.123 1.00 0.00 C ATOM 696 C GLU A 400 -22.634 -7.640 -2.016 1.00 0.00 C ATOM 697 O GLU A 400 -22.416 -8.845 -1.887 1.00 0.00 O ATOM 698 CB GLU A 400 -24.957 -6.713 -1.876 1.00 0.00 C ATOM 699 CG GLU A 400 -26.036 -6.031 -1.048 1.00 0.00 C ATOM 700 CD GLU A 400 -26.479 -6.860 0.142 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.640 -7.126 1.029 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.667 -7.243 0.188 1.00 0.00 O ATOM 0 H GLU A 400 -22.803 -5.676 0.335 1.00 0.00 H new ATOM 0 HA GLU A 400 -23.840 -7.551 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.763 -6.114 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.330 -7.679 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.663 -5.069 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.898 -5.826 -1.682 1.00 0.00 H new ATOM 709 N ASN A 401 -22.015 -6.883 -2.910 1.00 0.00 N ATOM 710 CA ASN A 401 -21.019 -7.420 -3.820 1.00 0.00 C ATOM 711 C ASN A 401 -19.627 -6.999 -3.373 1.00 0.00 C ATOM 712 O ASN A 401 -18.641 -7.225 -4.077 1.00 0.00 O ATOM 713 CB ASN A 401 -21.283 -6.915 -5.237 1.00 0.00 C ATOM 714 CG ASN A 401 -22.601 -7.408 -5.816 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.363 -8.164 -5.030 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -22.932 -7.109 -6.963 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.189 -5.884 -3.023 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.082 -8.508 -3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.281 -5.825 -5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.467 -7.233 -5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.320 -6.527 -7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.818 -7.443 -7.342 1.00 0.00 H new ATOM 723 N LYS A 402 -19.565 -6.374 -2.196 1.00 0.00 N ATOM 724 CA LYS A 402 -18.304 -5.897 -1.633 1.00 0.00 C ATOM 725 C LYS A 402 -17.726 -4.772 -2.488 1.00 0.00 C ATOM 726 O LYS A 402 -17.619 -4.902 -3.708 1.00 0.00 O ATOM 727 CB LYS A 402 -17.300 -7.048 -1.524 1.00 0.00 C ATOM 728 CG LYS A 402 -17.762 -8.182 -0.621 1.00 0.00 C ATOM 729 CD LYS A 402 -17.918 -7.723 0.820 1.00 0.00 C ATOM 730 CE LYS A 402 -18.382 -8.859 1.717 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.520 -8.426 3.135 1.00 0.00 N ATOM 0 H LYS A 402 -20.380 -6.186 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.500 -5.507 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.107 -7.445 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.354 -6.658 -1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.713 -8.572 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.043 -9.000 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.967 -7.335 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.636 -6.904 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.339 -9.237 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.671 -9.683 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.838 -9.229 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.601 -8.089 3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.217 -7.657 3.197 1.00 0.00 H new ATOM 745 N LYS A 403 -17.361 -3.663 -1.848 1.00 0.00 N ATOM 746 CA LYS A 403 -16.808 -2.524 -2.572 1.00 0.00 C ATOM 747 C LYS A 403 -15.663 -1.856 -1.815 1.00 0.00 C ATOM 748 O LYS A 403 -15.680 -1.760 -0.589 1.00 0.00 O ATOM 749 CB LYS A 403 -17.897 -1.494 -2.861 1.00 0.00 C ATOM 750 CG LYS A 403 -18.982 -2.007 -3.787 1.00 0.00 C ATOM 751 CD LYS A 403 -19.922 -0.893 -4.213 1.00 0.00 C ATOM 752 CE LYS A 403 -21.002 -1.402 -5.154 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.924 -0.314 -5.581 1.00 0.00 N ATOM 0 H LYS A 403 -17.438 -3.530 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.408 -2.911 -3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.350 -1.182 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.441 -0.609 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.526 -2.457 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.549 -2.791 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.386 -0.450 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.353 -0.104 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.537 -1.849 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.573 -2.189 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.646 -0.702 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -22.387 0.096 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.384 0.425 -6.075 1.00 0.00 H new ATOM 767 N CYS A 404 -14.680 -1.374 -2.572 1.00 0.00 N ATOM 768 CA CYS A 404 -13.524 -0.683 -2.009 1.00 0.00 C ATOM 769 C CYS A 404 -13.384 0.685 -2.670 1.00 0.00 C ATOM 770 O CYS A 404 -13.431 0.792 -3.894 1.00 0.00 O ATOM 771 CB CYS A 404 -12.248 -1.506 -2.223 1.00 0.00 C ATOM 772 SG CYS A 404 -10.729 -0.715 -1.593 1.00 0.00 S ATOM 0 H CYS A 404 -14.663 -1.451 -3.589 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.672 -0.556 -0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.368 -2.474 -1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.128 -1.698 -3.289 1.00 0.00 H new ATOM 777 N THR A 405 -13.234 1.733 -1.864 1.00 0.00 N ATOM 778 CA THR A 405 -13.116 3.086 -2.402 1.00 0.00 C ATOM 779 C THR A 405 -12.100 3.924 -1.630 1.00 0.00 C ATOM 780 O THR A 405 -11.949 3.784 -0.416 1.00 0.00 O ATOM 781 CB THR A 405 -14.475 3.812 -2.394 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.962 3.927 -1.052 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.492 3.066 -3.246 1.00 0.00 C ATOM 0 H THR A 405 -13.192 1.674 -0.847 1.00 0.00 H new ATOM 0 HA THR A 405 -12.769 2.976 -3.429 1.00 0.00 H new ATOM 0 HB THR A 405 -14.332 4.808 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.825 4.391 -1.056 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.444 3.597 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.132 3.006 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.630 2.060 -2.851 1.00 0.00 H new ATOM 791 N LEU A 406 -11.404 4.792 -2.358 1.00 0.00 N ATOM 792 CA LEU A 406 -10.392 5.666 -1.780 1.00 0.00 C ATOM 793 C LEU A 406 -11.020 6.701 -0.860 1.00 0.00 C ATOM 794 O LEU A 406 -12.114 7.205 -1.119 1.00 0.00 O ATOM 795 CB LEU A 406 -9.607 6.352 -2.898 1.00 0.00 C ATOM 796 CG LEU A 406 -8.306 7.047 -2.489 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.584 8.346 -1.751 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.449 6.119 -1.647 1.00 0.00 C ATOM 0 H LEU A 406 -11.526 4.908 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.712 5.060 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.372 5.606 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.256 7.091 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.756 7.294 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.640 8.816 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.148 9.018 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.163 8.137 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.528 6.630 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.996 5.835 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.207 5.225 -2.222 1.00 0.00 H new ATOM 810 N ASP A 407 -10.312 7.013 0.214 1.00 0.00 N ATOM 811 CA ASP A 407 -10.778 7.994 1.187 1.00 0.00 C ATOM 812 C ASP A 407 -9.718 9.066 1.417 1.00 0.00 C ATOM 813 O ASP A 407 -8.545 8.756 1.608 1.00 0.00 O ATOM 814 CB ASP A 407 -11.121 7.302 2.505 1.00 0.00 C ATOM 815 CG ASP A 407 -11.728 8.247 3.526 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.919 9.438 3.202 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.019 7.792 4.654 1.00 0.00 O ATOM 0 H ASP A 407 -9.407 6.599 0.437 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.674 8.474 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.819 6.487 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.218 6.856 2.922 1.00 0.00 H new ATOM 822 N LYS A 408 -10.140 10.326 1.392 1.00 0.00 N ATOM 823 CA LYS A 408 -9.225 11.444 1.592 1.00 0.00 C ATOM 824 C LYS A 408 -8.690 11.482 3.021 1.00 0.00 C ATOM 825 O LYS A 408 -7.501 11.711 3.242 1.00 0.00 O ATOM 826 CB LYS A 408 -9.922 12.765 1.261 1.00 0.00 C ATOM 827 CG LYS A 408 -11.192 13.005 2.063 1.00 0.00 C ATOM 828 CD LYS A 408 -11.846 14.330 1.698 1.00 0.00 C ATOM 829 CE LYS A 408 -12.266 14.366 0.236 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.241 13.289 -0.089 1.00 0.00 N ATOM 0 H LYS A 408 -11.110 10.599 1.235 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.379 11.303 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.229 13.586 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.165 12.781 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.895 12.191 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.957 12.996 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.718 14.492 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.151 15.146 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.708 15.336 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.385 14.261 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.655 13.467 -1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.754 12.370 -0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.996 13.277 0.626 1.00 0.00 H new ATOM 844 N GLU A 409 -9.577 11.268 3.987 1.00 0.00 N ATOM 845 CA GLU A 409 -9.195 11.290 5.397 1.00 0.00 C ATOM 846 C GLU A 409 -8.227 10.158 5.733 1.00 0.00 C ATOM 847 O GLU A 409 -7.271 10.347 6.484 1.00 0.00 O ATOM 848 CB GLU A 409 -10.436 11.197 6.286 1.00 0.00 C ATOM 849 CG GLU A 409 -11.398 12.363 6.112 1.00 0.00 C ATOM 850 CD GLU A 409 -12.607 12.262 7.020 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.422 12.234 8.255 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.741 12.212 6.496 1.00 0.00 O ATOM 0 H GLU A 409 -10.565 11.077 3.821 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.687 12.236 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.961 10.267 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.123 11.148 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.873 13.296 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.730 12.404 5.075 1.00 0.00 H new ATOM 859 N GLU A 410 -8.481 8.981 5.180 1.00 0.00 N ATOM 860 CA GLU A 410 -7.629 7.828 5.434 1.00 0.00 C ATOM 861 C GLU A 410 -6.313 7.952 4.675 1.00 0.00 C ATOM 862 O GLU A 410 -5.249 7.654 5.211 1.00 0.00 O ATOM 863 CB GLU A 410 -8.352 6.536 5.049 1.00 0.00 C ATOM 864 CG GLU A 410 -7.566 5.276 5.375 1.00 0.00 C ATOM 865 CD GLU A 410 -8.384 4.013 5.185 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.583 4.125 4.853 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.827 2.911 5.377 1.00 0.00 O ATOM 0 H GLU A 410 -9.266 8.799 4.555 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.405 7.795 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.311 6.499 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.566 6.554 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.681 5.230 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.217 5.327 6.406 1.00 0.00 H new ATOM 874 N ALA A 411 -6.396 8.401 3.427 1.00 0.00 N ATOM 875 CA ALA A 411 -5.210 8.572 2.595 1.00 0.00 C ATOM 876 C ALA A 411 -4.251 9.590 3.200 1.00 0.00 C ATOM 877 O ALA A 411 -3.039 9.381 3.211 1.00 0.00 O ATOM 878 CB ALA A 411 -5.605 8.992 1.186 1.00 0.00 C ATOM 0 H ALA A 411 -7.272 8.653 2.969 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.696 7.612 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.709 9.115 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.241 8.226 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.148 9.936 1.227 1.00 0.00 H new ATOM 884 N LYS A 412 -4.798 10.695 3.699 1.00 0.00 N ATOM 885 CA LYS A 412 -3.981 11.744 4.299 1.00 0.00 C ATOM 886 C LYS A 412 -3.267 11.231 5.546 1.00 0.00 C ATOM 887 O LYS A 412 -2.082 11.495 5.743 1.00 0.00 O ATOM 888 CB LYS A 412 -4.837 12.969 4.638 1.00 0.00 C ATOM 889 CG LYS A 412 -5.838 12.730 5.755 1.00 0.00 C ATOM 890 CD LYS A 412 -6.765 13.920 5.936 1.00 0.00 C ATOM 891 CE LYS A 412 -7.627 13.770 7.178 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.804 13.665 8.415 1.00 0.00 N ATOM 0 H LYS A 412 -5.800 10.886 3.700 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.226 12.041 3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.180 13.792 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.374 13.284 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.426 11.840 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.306 12.537 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.176 14.834 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.404 14.022 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.298 14.625 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.252 12.882 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -7.388 13.902 9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.445 12.694 8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.003 14.326 8.356 1.00 0.00 H new