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 : no HD1:sc= 0.71 K(o=1.4,f=-4.2!) USER MOD Set 1.2: A 405 THR OG1 : rot 26:sc= 0.728 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.435 USER MOD Set 2.2: A 380 SER OG : rot 88:sc= 0.477 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.837 F(o=-3.4!,f=-0.84) 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 :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.26) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.377 K(o=0.38,f=-3.5!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.536 F(o=-3!,f=-0.54) USER MOD Single : A 402 LYS NZ :NH3+ -167:sc= -0.0246 (180deg=-0.247) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ -169:sc= -0.0255 (180deg=-0.241) USER MOD Single : A 412 LYS NZ :NH3+ 179:sc= 0.695 (180deg=0.694) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.042 5.201 -2.479 1.00 0.00 N ATOM 340 CA GLU A 376 -3.718 5.032 -3.760 1.00 0.00 C ATOM 341 C GLU A 376 -4.648 6.212 -4.045 1.00 0.00 C ATOM 342 O GLU A 376 -4.423 7.320 -3.562 1.00 0.00 O ATOM 343 CB GLU A 376 -4.507 3.718 -3.759 1.00 0.00 C ATOM 344 CG GLU A 376 -3.676 2.507 -3.359 1.00 0.00 C ATOM 345 CD GLU A 376 -2.561 2.201 -4.344 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.461 2.903 -5.373 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.789 1.252 -4.089 1.00 0.00 O ATOM 0 HA GLU A 376 -2.967 4.998 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.350 3.811 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.920 3.552 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.245 2.679 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.328 1.638 -3.275 1.00 0.00 H new ATOM 354 N THR A 377 -5.691 5.967 -4.831 1.00 0.00 N ATOM 355 CA THR A 377 -6.650 7.008 -5.184 1.00 0.00 C ATOM 356 C THR A 377 -8.038 6.416 -5.380 1.00 0.00 C ATOM 357 O THR A 377 -8.176 5.232 -5.678 1.00 0.00 O ATOM 358 CB THR A 377 -6.232 7.751 -6.467 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.175 6.834 -7.567 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.876 8.420 -6.291 1.00 0.00 C ATOM 0 H THR A 377 -5.894 5.054 -5.237 1.00 0.00 H new ATOM 0 HA THR A 377 -6.669 7.720 -4.358 1.00 0.00 H new ATOM 0 HB THR A 377 -6.976 8.521 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.910 7.314 -8.379 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.604 8.938 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A 377 -4.928 9.138 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.124 7.664 -6.064 1.00 0.00 H new ATOM 368 N GLU A 378 -9.061 7.245 -5.195 1.00 0.00 N ATOM 369 CA GLU A 378 -10.445 6.801 -5.337 1.00 0.00 C ATOM 370 C GLU A 378 -10.631 5.983 -6.606 1.00 0.00 C ATOM 371 O GLU A 378 -11.296 4.948 -6.597 1.00 0.00 O ATOM 372 CB GLU A 378 -11.387 8.005 -5.347 1.00 0.00 C ATOM 373 CG GLU A 378 -12.859 7.627 -5.378 1.00 0.00 C ATOM 374 CD GLU A 378 -13.772 8.837 -5.391 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.709 9.638 -4.433 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.548 8.986 -6.357 1.00 0.00 O ATOM 0 H GLU A 378 -8.958 8.229 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.685 6.166 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.195 8.613 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.161 8.625 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.055 7.019 -6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.090 7.011 -4.509 1.00 0.00 H new ATOM 383 N GLY A 379 -10.037 6.450 -7.694 1.00 0.00 N ATOM 384 CA GLY A 379 -10.147 5.748 -8.958 1.00 0.00 C ATOM 385 C GLY A 379 -9.502 4.376 -8.927 1.00 0.00 C ATOM 386 O GLY A 379 -10.037 3.421 -9.490 1.00 0.00 O ATOM 0 H GLY A 379 -9.480 7.304 -7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.200 5.643 -9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.682 6.346 -9.742 1.00 0.00 H new ATOM 390 N SER A 380 -8.348 4.278 -8.277 1.00 0.00 N ATOM 391 CA SER A 380 -7.628 3.013 -8.187 1.00 0.00 C ATOM 392 C SER A 380 -8.351 2.011 -7.288 1.00 0.00 C ATOM 393 O SER A 380 -8.516 0.845 -7.650 1.00 0.00 O ATOM 394 CB SER A 380 -6.216 3.247 -7.668 1.00 0.00 C ATOM 395 OG SER A 380 -5.482 4.089 -8.541 1.00 0.00 O ATOM 0 H SER A 380 -7.891 5.058 -7.805 1.00 0.00 H new ATOM 0 HA SER A 380 -7.582 2.590 -9.191 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.260 3.697 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.702 2.292 -7.562 1.00 0.00 H new ATOM 0 HG SER A 380 -5.631 5.026 -8.294 1.00 0.00 H new ATOM 401 N CYS A 381 -8.769 2.472 -6.115 1.00 0.00 N ATOM 402 CA CYS A 381 -9.461 1.621 -5.152 1.00 0.00 C ATOM 403 C CYS A 381 -10.715 0.996 -5.756 1.00 0.00 C ATOM 404 O CYS A 381 -10.972 -0.195 -5.574 1.00 0.00 O ATOM 405 CB CYS A 381 -9.831 2.427 -3.909 1.00 0.00 C ATOM 406 SG CYS A 381 -8.417 3.249 -3.108 1.00 0.00 S ATOM 0 H CYS A 381 -8.640 3.435 -5.806 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.782 0.815 -4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.568 3.182 -4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.308 1.764 -3.188 1.00 0.00 H new ATOM 411 N ASN A 382 -11.493 1.802 -6.473 1.00 0.00 N ATOM 412 CA ASN A 382 -12.720 1.317 -7.101 1.00 0.00 C ATOM 413 C ASN A 382 -12.434 0.097 -7.963 1.00 0.00 C ATOM 414 O ASN A 382 -13.244 -0.827 -8.041 1.00 0.00 O ATOM 415 CB ASN A 382 -13.358 2.415 -7.958 1.00 0.00 C ATOM 416 CG ASN A 382 -13.769 3.635 -7.154 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.530 3.602 -5.847 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.296 4.601 -7.704 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.298 2.790 -6.634 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.415 1.037 -6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.654 2.718 -8.733 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.234 2.009 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.462 4.587 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.567 5.416 -7.154 1.00 0.00 H new ATOM 425 N LYS A 383 -11.276 0.105 -8.612 1.00 0.00 N ATOM 426 CA LYS A 383 -10.876 -0.995 -9.475 1.00 0.00 C ATOM 427 C LYS A 383 -10.526 -2.230 -8.654 1.00 0.00 C ATOM 428 O LYS A 383 -10.805 -3.358 -9.064 1.00 0.00 O ATOM 429 CB LYS A 383 -9.683 -0.579 -10.339 1.00 0.00 C ATOM 430 CG LYS A 383 -9.883 0.750 -11.054 1.00 0.00 C ATOM 431 CD LYS A 383 -11.139 0.753 -11.917 1.00 0.00 C ATOM 432 CE LYS A 383 -11.066 -0.287 -13.024 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.295 -0.289 -13.864 1.00 0.00 N ATOM 0 H LYS A 383 -10.597 0.864 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.715 -1.244 -10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.795 -0.514 -9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.493 -1.356 -11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.948 1.551 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.014 0.960 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.010 0.558 -11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.276 1.741 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.197 -0.089 -13.652 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.924 -1.275 -12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.206 -1.011 -14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.121 -0.503 -13.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -12.417 0.646 -14.303 1.00 0.00 H new ATOM 447 N LYS A 384 -9.895 -2.014 -7.501 1.00 0.00 N ATOM 448 CA LYS A 384 -9.489 -3.095 -6.632 1.00 0.00 C ATOM 449 C LYS A 384 -10.652 -3.986 -6.226 1.00 0.00 C ATOM 450 O LYS A 384 -11.783 -3.829 -6.687 1.00 0.00 O ATOM 451 CB LYS A 384 -8.835 -2.511 -5.386 1.00 0.00 C ATOM 452 CG LYS A 384 -7.747 -1.503 -5.700 1.00 0.00 C ATOM 453 CD LYS A 384 -6.641 -2.111 -6.543 1.00 0.00 C ATOM 454 CE LYS A 384 -6.908 -1.959 -8.033 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.746 -2.395 -8.855 1.00 0.00 N ATOM 0 H LYS A 384 -9.656 -1.086 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.785 -3.718 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.599 -2.033 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.411 -3.321 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.180 -0.653 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.327 -1.121 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.693 -1.634 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.540 -3.169 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.785 -2.545 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.139 -0.917 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.970 -2.275 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.914 -1.819 -8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.541 -3.396 -8.663 1.00 0.00 H new ATOM 469 N ASP A 385 -10.343 -4.912 -5.338 1.00 0.00 N ATOM 470 CA ASP A 385 -11.311 -5.855 -4.806 1.00 0.00 C ATOM 471 C ASP A 385 -11.005 -6.106 -3.337 1.00 0.00 C ATOM 472 O ASP A 385 -10.326 -5.305 -2.706 1.00 0.00 O ATOM 473 CB ASP A 385 -11.266 -7.170 -5.586 1.00 0.00 C ATOM 474 CG ASP A 385 -11.673 -7.008 -7.039 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.968 -6.291 -7.777 1.00 0.00 O ATOM 476 OD2 ASP A 385 -12.699 -7.597 -7.436 1.00 0.00 O ATOM 0 H ASP A 385 -9.403 -5.033 -4.961 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.312 -5.436 -4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.257 -7.580 -5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.926 -7.893 -5.107 1.00 0.00 H new ATOM 481 N GLN A 386 -11.487 -7.212 -2.791 1.00 0.00 N ATOM 482 CA GLN A 386 -11.230 -7.518 -1.389 1.00 0.00 C ATOM 483 C GLN A 386 -9.730 -7.565 -1.110 1.00 0.00 C ATOM 484 O GLN A 386 -9.210 -6.781 -0.316 1.00 0.00 O ATOM 485 CB GLN A 386 -11.875 -8.852 -1.005 1.00 0.00 C ATOM 486 CG GLN A 386 -11.664 -9.230 0.453 1.00 0.00 C ATOM 487 CD GLN A 386 -12.303 -10.559 0.824 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.955 -11.205 -0.138 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -12.210 -11.000 1.969 1.00 0.00 N flip ATOM 0 H GLN A 386 -12.050 -7.904 -3.286 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.671 -6.725 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.945 -8.801 -1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.468 -9.639 -1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.595 -9.278 0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.076 -8.446 1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.701 -10.473 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.642 -11.892 2.209 1.00 0.00 H new ATOM 498 N ASN A 387 -9.042 -8.488 -1.771 1.00 0.00 N ATOM 499 CA ASN A 387 -7.607 -8.652 -1.601 1.00 0.00 C ATOM 500 C ASN A 387 -6.824 -7.492 -2.217 1.00 0.00 C ATOM 501 O ASN A 387 -5.622 -7.359 -1.986 1.00 0.00 O ATOM 502 CB ASN A 387 -7.166 -9.973 -2.228 1.00 0.00 C ATOM 503 CG ASN A 387 -5.673 -10.184 -2.143 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.096 -10.218 -1.056 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.038 -10.328 -3.296 1.00 0.00 N ATOM 0 H ASN A 387 -9.461 -9.139 -2.435 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.393 -8.659 -0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.675 -10.797 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.474 -9.996 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -4.029 -10.474 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.558 -10.293 -4.173 1.00 0.00 H new ATOM 512 N GLU A 388 -7.498 -6.660 -3.006 1.00 0.00 N ATOM 513 CA GLU A 388 -6.837 -5.528 -3.650 1.00 0.00 C ATOM 514 C GLU A 388 -7.188 -4.216 -2.965 1.00 0.00 C ATOM 515 O GLU A 388 -6.565 -3.188 -3.233 1.00 0.00 O ATOM 516 CB GLU A 388 -7.199 -5.469 -5.135 1.00 0.00 C ATOM 517 CG GLU A 388 -6.763 -6.698 -5.918 1.00 0.00 C ATOM 518 CD GLU A 388 -7.135 -6.619 -7.387 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.739 -5.605 -7.794 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.822 -7.573 -8.129 1.00 0.00 O ATOM 0 H GLU A 388 -8.493 -6.746 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.761 -5.675 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.278 -5.350 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.740 -4.585 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.683 -6.818 -5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.220 -7.585 -5.479 1.00 0.00 H new ATOM 527 N CYS A 389 -8.172 -4.250 -2.072 1.00 0.00 N ATOM 528 CA CYS A 389 -8.562 -3.046 -1.356 1.00 0.00 C ATOM 529 C CYS A 389 -7.400 -2.615 -0.474 1.00 0.00 C ATOM 530 O CYS A 389 -7.174 -3.177 0.598 1.00 0.00 O ATOM 531 CB CYS A 389 -9.823 -3.292 -0.523 1.00 0.00 C ATOM 532 SG CYS A 389 -10.721 -1.773 -0.061 1.00 0.00 S ATOM 0 H CYS A 389 -8.705 -5.085 -1.831 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.797 -2.253 -2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.495 -3.941 -1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.546 -3.828 0.385 1.00 0.00 H new ATOM 537 N LYS A 390 -6.639 -1.643 -0.959 1.00 0.00 N ATOM 538 CA LYS A 390 -5.462 -1.164 -0.247 1.00 0.00 C ATOM 539 C LYS A 390 -5.827 -0.410 1.025 1.00 0.00 C ATOM 540 O LYS A 390 -6.967 0.017 1.207 1.00 0.00 O ATOM 541 CB LYS A 390 -4.618 -0.299 -1.172 1.00 0.00 C ATOM 542 CG LYS A 390 -4.058 -1.069 -2.364 1.00 0.00 C ATOM 543 CD LYS A 390 -3.000 -2.076 -1.935 1.00 0.00 C ATOM 544 CE LYS A 390 -1.799 -1.394 -1.297 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.766 -2.376 -0.867 1.00 0.00 N ATOM 0 H LYS A 390 -6.816 -1.170 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.879 -2.032 0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.223 0.532 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.793 0.132 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.869 -1.588 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.626 -0.369 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.435 -2.782 -1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.674 -2.652 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.360 -0.693 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.127 -0.812 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.035 -1.871 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.177 -3.030 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.434 -2.914 -1.693 1.00 0.00 H new ATOM 559 N SER A 391 -4.844 -0.284 1.916 1.00 0.00 N ATOM 560 CA SER A 391 -5.038 0.381 3.201 1.00 0.00 C ATOM 561 C SER A 391 -5.720 1.742 3.047 1.00 0.00 C ATOM 562 O SER A 391 -6.760 1.977 3.662 1.00 0.00 O ATOM 563 CB SER A 391 -3.702 0.535 3.934 1.00 0.00 C ATOM 564 OG SER A 391 -3.876 1.184 5.181 1.00 0.00 O ATOM 0 H SER A 391 -3.899 -0.637 1.768 1.00 0.00 H new ATOM 0 HA SER A 391 -5.699 -0.251 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.254 -0.446 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.009 1.106 3.317 1.00 0.00 H new ATOM 0 HG SER A 391 -3.009 1.269 5.630 1.00 0.00 H new ATOM 570 N PRO A 392 -5.167 2.663 2.225 1.00 0.00 N ATOM 571 CA PRO A 392 -5.771 3.975 2.025 1.00 0.00 C ATOM 572 C PRO A 392 -7.245 3.854 1.654 1.00 0.00 C ATOM 573 O PRO A 392 -8.058 4.717 1.989 1.00 0.00 O ATOM 574 CB PRO A 392 -4.971 4.590 0.870 1.00 0.00 C ATOM 575 CG PRO A 392 -4.065 3.528 0.356 1.00 0.00 C ATOM 576 CD PRO A 392 -3.937 2.505 1.437 1.00 0.00 C ATOM 0 HA PRO A 392 -5.739 4.583 2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.638 4.942 0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.399 5.452 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.470 3.081 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.090 3.943 0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.853 1.499 1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.049 2.676 2.045 1.00 0.00 H new ATOM 584 N CYS A 393 -7.576 2.770 0.959 1.00 0.00 N ATOM 585 CA CYS A 393 -8.947 2.513 0.541 1.00 0.00 C ATOM 586 C CYS A 393 -9.750 1.892 1.679 1.00 0.00 C ATOM 587 O CYS A 393 -9.236 1.070 2.438 1.00 0.00 O ATOM 588 CB CYS A 393 -8.978 1.563 -0.654 1.00 0.00 C ATOM 589 SG CYS A 393 -7.655 1.831 -1.879 1.00 0.00 S ATOM 0 H CYS A 393 -6.909 2.053 0.673 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.389 3.469 0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.912 0.539 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.942 1.662 -1.154 1.00 0.00 H new ATOM 594 N LYS A 394 -11.017 2.268 1.774 1.00 0.00 N ATOM 595 CA LYS A 394 -11.902 1.728 2.802 1.00 0.00 C ATOM 596 C LYS A 394 -12.671 0.531 2.264 1.00 0.00 C ATOM 597 O LYS A 394 -13.345 0.627 1.239 1.00 0.00 O ATOM 598 CB LYS A 394 -12.887 2.792 3.290 1.00 0.00 C ATOM 599 CG LYS A 394 -12.241 3.909 4.090 1.00 0.00 C ATOM 600 CD LYS A 394 -13.276 4.911 4.583 1.00 0.00 C ATOM 601 CE LYS A 394 -14.297 4.258 5.503 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.326 5.228 5.970 1.00 0.00 N ATOM 0 H LYS A 394 -11.458 2.946 1.152 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.284 1.411 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.397 3.223 2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.649 2.313 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.707 3.487 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -11.503 4.421 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -12.775 5.721 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.787 5.356 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.785 3.436 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.786 3.828 6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.002 4.743 6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.864 5.999 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.831 5.620 5.150 1.00 0.00 H new ATOM 616 N TRP A 395 -12.573 -0.595 2.959 1.00 0.00 N ATOM 617 CA TRP A 395 -13.270 -1.799 2.537 1.00 0.00 C ATOM 618 C TRP A 395 -14.714 -1.783 3.022 1.00 0.00 C ATOM 619 O TRP A 395 -14.981 -1.546 4.200 1.00 0.00 O ATOM 620 CB TRP A 395 -12.555 -3.049 3.055 1.00 0.00 C ATOM 621 CG TRP A 395 -13.156 -4.328 2.552 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.517 -5.413 3.299 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.462 -4.658 1.190 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.030 -6.395 2.486 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.006 -5.957 1.189 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.329 -3.983 -0.029 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.417 -6.590 0.019 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.738 -4.613 -1.188 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.276 -5.905 -1.157 1.00 0.00 C ATOM 0 H TRP A 395 -12.022 -0.698 3.811 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.269 -1.824 1.447 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.506 -3.008 2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.580 -3.048 4.145 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.414 -5.488 4.371 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.373 -7.303 2.798 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.914 -2.987 -0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.833 -7.587 0.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.641 -4.100 -2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.586 -6.371 -2.081 1.00 0.00 H new ATOM 640 N HIS A 396 -15.642 -2.039 2.107 1.00 0.00 N ATOM 641 CA HIS A 396 -17.060 -2.056 2.441 1.00 0.00 C ATOM 642 C HIS A 396 -17.597 -3.482 2.448 1.00 0.00 C ATOM 643 O HIS A 396 -17.729 -4.113 1.396 1.00 0.00 O ATOM 644 CB HIS A 396 -17.852 -1.202 1.450 1.00 0.00 C ATOM 645 CG HIS A 396 -17.459 0.243 1.459 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.562 1.043 2.577 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.963 1.032 0.478 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.146 2.262 2.283 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.776 2.282 1.016 1.00 0.00 N ATOM 0 H HIS A 396 -15.437 -2.238 1.128 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.178 -1.637 3.440 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.713 -1.602 0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.914 -1.283 1.681 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.753 0.734 -0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.114 3.100 2.964 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.411 3.094 0.518 1.00 0.00 H new ATOM 658 N ASN A 397 -17.910 -3.975 3.643 1.00 0.00 N ATOM 659 CA ASN A 397 -18.441 -5.323 3.810 1.00 0.00 C ATOM 660 C ASN A 397 -19.958 -5.332 3.655 1.00 0.00 C ATOM 661 O ASN A 397 -20.638 -4.396 4.076 1.00 0.00 O ATOM 662 CB ASN A 397 -18.054 -5.881 5.182 1.00 0.00 C ATOM 663 CG ASN A 397 -18.616 -5.056 6.323 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.327 -3.865 6.445 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.423 -5.688 7.168 1.00 0.00 N ATOM 0 H ASN A 397 -17.804 -3.456 4.515 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.010 -5.955 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.413 -6.907 5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.968 -5.916 5.263 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.831 -5.185 7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.635 -6.676 7.028 1.00 0.00 H new ATOM 672 N ASP A 398 -20.478 -6.394 3.049 1.00 0.00 N ATOM 673 CA ASP A 398 -21.915 -6.531 2.833 1.00 0.00 C ATOM 674 C ASP A 398 -22.445 -5.372 1.992 1.00 0.00 C ATOM 675 O ASP A 398 -23.624 -5.022 2.065 1.00 0.00 O ATOM 676 CB ASP A 398 -22.648 -6.593 4.178 1.00 0.00 C ATOM 677 CG ASP A 398 -24.132 -6.867 4.024 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.485 -7.925 3.461 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.940 -6.024 4.467 1.00 0.00 O ATOM 0 H ASP A 398 -19.924 -7.175 2.697 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.097 -7.459 2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.201 -7.372 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.510 -5.650 4.706 1.00 0.00 H new ATOM 684 N ALA A 399 -21.567 -4.788 1.183 1.00 0.00 N ATOM 685 CA ALA A 399 -21.948 -3.679 0.317 1.00 0.00 C ATOM 686 C ALA A 399 -22.729 -4.195 -0.888 1.00 0.00 C ATOM 687 O ALA A 399 -23.399 -5.224 -0.805 1.00 0.00 O ATOM 688 CB ALA A 399 -20.707 -2.913 -0.132 1.00 0.00 C ATOM 0 H ALA A 399 -20.588 -5.064 1.109 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.590 -2.998 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.003 -2.087 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.185 -2.521 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.044 -3.583 -0.680 1.00 0.00 H new ATOM 694 N GLU A 400 -22.625 -3.491 -2.010 1.00 0.00 N ATOM 695 CA GLU A 400 -23.307 -3.902 -3.231 1.00 0.00 C ATOM 696 C GLU A 400 -22.476 -4.965 -3.941 1.00 0.00 C ATOM 697 O GLU A 400 -22.004 -4.752 -5.060 1.00 0.00 O ATOM 698 CB GLU A 400 -23.546 -2.699 -4.148 1.00 0.00 C ATOM 699 CG GLU A 400 -24.363 -3.027 -5.389 1.00 0.00 C ATOM 700 CD GLU A 400 -24.598 -1.817 -6.273 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.118 -0.718 -5.921 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.265 -1.967 -7.319 1.00 0.00 O ATOM 0 H GLU A 400 -22.077 -2.636 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.279 -4.322 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.057 -1.919 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -22.583 -2.291 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -23.849 -3.797 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.324 -3.443 -5.087 1.00 0.00 H new ATOM 709 N ASN A 401 -22.271 -6.092 -3.253 1.00 0.00 N ATOM 710 CA ASN A 401 -21.467 -7.197 -3.766 1.00 0.00 C ATOM 711 C ASN A 401 -19.998 -6.878 -3.544 1.00 0.00 C ATOM 712 O ASN A 401 -19.168 -7.023 -4.443 1.00 0.00 O ATOM 713 CB ASN A 401 -21.745 -7.457 -5.253 1.00 0.00 C ATOM 714 CG ASN A 401 -23.219 -7.687 -5.550 1.00 0.00 C ATOM 715 OD1 ASN A 401 -24.058 -7.652 -4.518 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -23.601 -7.896 -6.703 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.659 -6.261 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.735 -8.107 -3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.390 -6.608 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.174 -8.327 -5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.927 -7.915 -7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -24.591 -8.050 -6.892 1.00 0.00 H new ATOM 723 N LYS A 402 -19.706 -6.414 -2.329 1.00 0.00 N ATOM 724 CA LYS A 402 -18.352 -6.030 -1.935 1.00 0.00 C ATOM 725 C LYS A 402 -17.936 -4.759 -2.665 1.00 0.00 C ATOM 726 O LYS A 402 -18.025 -4.683 -3.890 1.00 0.00 O ATOM 727 CB LYS A 402 -17.357 -7.159 -2.231 1.00 0.00 C ATOM 728 CG LYS A 402 -17.685 -8.466 -1.523 1.00 0.00 C ATOM 729 CD LYS A 402 -17.658 -8.309 -0.011 1.00 0.00 C ATOM 730 CE LYS A 402 -17.973 -9.622 0.688 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.326 -10.131 0.332 1.00 0.00 N ATOM 0 H LYS A 402 -20.401 -6.294 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.347 -5.842 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.331 -7.335 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.358 -6.837 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.670 -8.812 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.969 -9.232 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.676 -7.955 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.381 -7.552 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.223 -10.366 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.910 -9.483 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.592 -10.896 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.018 -9.358 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.315 -10.495 -0.642 1.00 0.00 H new ATOM 745 N LYS A 403 -17.497 -3.752 -1.912 1.00 0.00 N ATOM 746 CA LYS A 403 -17.095 -2.485 -2.514 1.00 0.00 C ATOM 747 C LYS A 403 -15.867 -1.889 -1.831 1.00 0.00 C ATOM 748 O LYS A 403 -15.718 -1.976 -0.615 1.00 0.00 O ATOM 749 CB LYS A 403 -18.249 -1.482 -2.459 1.00 0.00 C ATOM 750 CG LYS A 403 -19.502 -1.957 -3.175 1.00 0.00 C ATOM 751 CD LYS A 403 -20.564 -0.868 -3.229 1.00 0.00 C ATOM 752 CE LYS A 403 -20.086 0.341 -4.018 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.120 1.412 -4.081 1.00 0.00 N ATOM 0 H LYS A 403 -17.412 -3.788 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.834 -2.691 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.492 -1.277 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.923 -0.541 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.247 -2.268 -4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.904 -2.832 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.471 -1.265 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.824 -0.562 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.180 0.738 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.822 0.032 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.753 2.217 -4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.976 1.042 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.354 1.726 -3.117 1.00 0.00 H new ATOM 767 N CYS A 404 -15.000 -1.270 -2.629 1.00 0.00 N ATOM 768 CA CYS A 404 -13.789 -0.636 -2.113 1.00 0.00 C ATOM 769 C CYS A 404 -13.663 0.779 -2.674 1.00 0.00 C ATOM 770 O CYS A 404 -13.724 0.979 -3.888 1.00 0.00 O ATOM 771 CB CYS A 404 -12.549 -1.459 -2.490 1.00 0.00 C ATOM 772 SG CYS A 404 -10.980 -0.800 -1.832 1.00 0.00 S ATOM 0 H CYS A 404 -15.114 -1.194 -3.640 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.858 -0.587 -1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.681 -2.479 -2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.480 -1.512 -3.576 1.00 0.00 H new ATOM 777 N THR A 405 -13.498 1.759 -1.789 1.00 0.00 N ATOM 778 CA THR A 405 -13.377 3.153 -2.210 1.00 0.00 C ATOM 779 C THR A 405 -12.367 3.908 -1.354 1.00 0.00 C ATOM 780 O THR A 405 -12.381 3.814 -0.128 1.00 0.00 O ATOM 781 CB THR A 405 -14.731 3.884 -2.139 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.224 3.873 -0.795 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.749 3.230 -3.061 1.00 0.00 C ATOM 0 H THR A 405 -13.445 1.615 -0.781 1.00 0.00 H new ATOM 0 HA THR A 405 -13.032 3.135 -3.244 1.00 0.00 H new ATOM 0 HB THR A 405 -14.579 4.914 -2.463 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.472 3.801 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.697 3.764 -2.993 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.385 3.265 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.895 2.192 -2.763 1.00 0.00 H new ATOM 791 N LEU A 406 -11.492 4.657 -2.016 1.00 0.00 N ATOM 792 CA LEU A 406 -10.464 5.432 -1.339 1.00 0.00 C ATOM 793 C LEU A 406 -11.074 6.446 -0.383 1.00 0.00 C ATOM 794 O LEU A 406 -12.106 7.051 -0.674 1.00 0.00 O ATOM 795 CB LEU A 406 -9.590 6.144 -2.372 1.00 0.00 C ATOM 796 CG LEU A 406 -8.290 6.757 -1.846 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.555 8.054 -1.101 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.560 5.768 -0.955 1.00 0.00 C ATOM 0 H LEU A 406 -11.477 4.743 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.851 4.747 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.340 5.432 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.180 6.935 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.656 6.988 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.612 8.465 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.029 8.769 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.214 7.859 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.638 6.220 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.195 5.503 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.323 4.870 -1.526 1.00 0.00 H new ATOM 810 N ASP A 407 -10.418 6.628 0.753 1.00 0.00 N ATOM 811 CA ASP A 407 -10.875 7.578 1.760 1.00 0.00 C ATOM 812 C ASP A 407 -9.961 8.796 1.795 1.00 0.00 C ATOM 813 O ASP A 407 -8.741 8.661 1.840 1.00 0.00 O ATOM 814 CB ASP A 407 -10.917 6.915 3.134 1.00 0.00 C ATOM 815 CG ASP A 407 -11.537 7.808 4.191 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.702 8.222 4.010 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.861 8.090 5.203 1.00 0.00 O ATOM 0 H ASP A 407 -9.564 6.129 1.003 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.881 7.903 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.485 5.987 3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.904 6.649 3.436 1.00 0.00 H new ATOM 822 N LYS A 408 -10.552 9.984 1.765 1.00 0.00 N ATOM 823 CA LYS A 408 -9.780 11.223 1.783 1.00 0.00 C ATOM 824 C LYS A 408 -9.034 11.402 3.102 1.00 0.00 C ATOM 825 O LYS A 408 -7.840 11.699 3.111 1.00 0.00 O ATOM 826 CB LYS A 408 -10.696 12.421 1.531 1.00 0.00 C ATOM 827 CG LYS A 408 -11.359 12.404 0.162 1.00 0.00 C ATOM 828 CD LYS A 408 -10.328 12.476 -0.955 1.00 0.00 C ATOM 829 CE LYS A 408 -10.987 12.462 -2.324 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.770 11.214 -2.551 1.00 0.00 N ATOM 0 H LYS A 408 -11.563 10.117 1.728 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.039 11.162 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.469 12.445 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.117 13.339 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.952 11.496 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -12.047 13.245 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.734 13.383 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.641 11.634 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.645 13.326 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.223 12.557 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.047 11.155 -3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.187 10.389 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.623 11.226 -1.956 1.00 0.00 H new ATOM 844 N GLU A 409 -9.744 11.229 4.212 1.00 0.00 N ATOM 845 CA GLU A 409 -9.148 11.381 5.538 1.00 0.00 C ATOM 846 C GLU A 409 -8.006 10.392 5.760 1.00 0.00 C ATOM 847 O GLU A 409 -6.957 10.748 6.297 1.00 0.00 O ATOM 848 CB GLU A 409 -10.213 11.189 6.620 1.00 0.00 C ATOM 849 CG GLU A 409 -11.308 12.246 6.601 1.00 0.00 C ATOM 850 CD GLU A 409 -10.798 13.627 6.969 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.943 14.163 6.235 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.255 14.171 7.997 1.00 0.00 O ATOM 0 H GLU A 409 -10.734 10.983 4.221 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.739 12.389 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.668 10.206 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.730 11.198 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.755 12.282 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.097 11.958 7.296 1.00 0.00 H new ATOM 859 N GLU A 410 -8.217 9.146 5.357 1.00 0.00 N ATOM 860 CA GLU A 410 -7.207 8.110 5.524 1.00 0.00 C ATOM 861 C GLU A 410 -6.044 8.307 4.558 1.00 0.00 C ATOM 862 O GLU A 410 -4.885 8.143 4.930 1.00 0.00 O ATOM 863 CB GLU A 410 -7.835 6.727 5.334 1.00 0.00 C ATOM 864 CG GLU A 410 -6.855 5.580 5.522 1.00 0.00 C ATOM 865 CD GLU A 410 -7.540 4.229 5.520 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.241 3.920 4.534 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.375 3.480 6.505 1.00 0.00 O ATOM 0 H GLU A 410 -9.078 8.828 4.912 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.811 8.183 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.657 6.611 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.264 6.667 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.110 5.608 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.321 5.712 6.463 1.00 0.00 H new ATOM 874 N ALA A 411 -6.359 8.655 3.314 1.00 0.00 N ATOM 875 CA ALA A 411 -5.333 8.867 2.297 1.00 0.00 C ATOM 876 C ALA A 411 -4.389 10.000 2.680 1.00 0.00 C ATOM 877 O ALA A 411 -3.173 9.866 2.559 1.00 0.00 O ATOM 878 CB ALA A 411 -5.975 9.157 0.949 1.00 0.00 C ATOM 0 H ALA A 411 -7.314 8.796 2.986 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.747 7.951 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.197 9.313 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.598 8.313 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.590 10.054 1.024 1.00 0.00 H new ATOM 884 N LYS A 412 -4.950 11.113 3.137 1.00 0.00 N ATOM 885 CA LYS A 412 -4.144 12.263 3.531 1.00 0.00 C ATOM 886 C LYS A 412 -3.228 11.908 4.698 1.00 0.00 C ATOM 887 O LYS A 412 -2.052 12.273 4.708 1.00 0.00 O ATOM 888 CB LYS A 412 -5.044 13.447 3.894 1.00 0.00 C ATOM 889 CG LYS A 412 -6.029 13.146 5.012 1.00 0.00 C ATOM 890 CD LYS A 412 -6.966 14.316 5.272 1.00 0.00 C ATOM 891 CE LYS A 412 -7.780 14.673 4.037 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.694 15.823 4.286 1.00 0.00 N ATOM 0 H LYS A 412 -5.956 11.244 3.244 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.520 12.549 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.419 14.290 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.598 13.756 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.614 12.263 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.482 12.909 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.640 14.067 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.386 15.183 5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.106 14.917 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.363 13.807 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -9.218 16.045 3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -9.366 15.576 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.137 16.652 4.576 1.00 0.00 H new