USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 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= -1.47! C(o=-0.83!,f=-4.7!) USER MOD Set 1.2: A 405 THR OG1 : rot 154:sc= 0.636 USER MOD Set 2.1: A 377 THR OG1 : rot -14:sc= -0.0103 USER MOD Set 2.2: A 380 SER OG : rot -26:sc= -0.321! USER MOD Single : A 382 ASN : amide:sc= -7.37! K(o=-7.4!,f=-2.8) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.9) USER MOD Single : A 386 GLN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -159:sc= -0.0338 (180deg=-0.372) 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= 0.459 K(o=0.46,f=-3.4!) USER MOD Single : A 401 ASN : amide:sc= -0.559 K(o=-0.56,f=0.18) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ 143:sc= -3.16! (180deg=-5.74!) USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= -0.0246 (180deg=-0.197) USER MOD Single : A 412 LYS NZ :NH3+ 146:sc= -3.4! (180deg=-6.21!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.267 5.344 -3.357 1.00 0.00 N ATOM 340 CA GLU A 376 -3.963 5.280 -4.635 1.00 0.00 C ATOM 341 C GLU A 376 -4.995 6.400 -4.732 1.00 0.00 C ATOM 342 O GLU A 376 -4.808 7.476 -4.165 1.00 0.00 O ATOM 343 CB GLU A 376 -4.623 3.907 -4.796 1.00 0.00 C ATOM 344 CG GLU A 376 -3.638 2.753 -4.715 1.00 0.00 C ATOM 345 CD GLU A 376 -4.290 1.409 -4.980 1.00 0.00 C ATOM 346 OE1 GLU A 376 -5.521 1.374 -5.184 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.566 0.390 -4.983 1.00 0.00 O ATOM 0 HA GLU A 376 -3.245 5.415 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.381 3.783 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.138 3.869 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.837 2.913 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.179 2.741 -3.727 1.00 0.00 H new ATOM 354 N THR A 377 -6.079 6.144 -5.451 1.00 0.00 N ATOM 355 CA THR A 377 -7.133 7.129 -5.624 1.00 0.00 C ATOM 356 C THR A 377 -8.490 6.449 -5.654 1.00 0.00 C ATOM 357 O THR A 377 -8.599 5.287 -6.040 1.00 0.00 O ATOM 358 CB THR A 377 -6.934 7.942 -6.915 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.973 7.074 -8.055 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.606 8.681 -6.877 1.00 0.00 C ATOM 0 H THR A 377 -6.250 5.257 -5.925 1.00 0.00 H new ATOM 0 HA THR A 377 -7.088 7.813 -4.777 1.00 0.00 H new ATOM 0 HB THR A 377 -7.741 8.671 -6.992 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.888 6.143 -7.760 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.480 9.251 -7.797 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.592 9.360 -6.025 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.792 7.962 -6.782 1.00 0.00 H new ATOM 368 N GLU A 378 -9.516 7.171 -5.221 1.00 0.00 N ATOM 369 CA GLU A 378 -10.866 6.628 -5.176 1.00 0.00 C ATOM 370 C GLU A 378 -11.198 5.891 -6.464 1.00 0.00 C ATOM 371 O GLU A 378 -11.810 4.826 -6.443 1.00 0.00 O ATOM 372 CB GLU A 378 -11.882 7.746 -4.938 1.00 0.00 C ATOM 373 CG GLU A 378 -13.306 7.245 -4.760 1.00 0.00 C ATOM 374 CD GLU A 378 -14.302 8.372 -4.577 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.402 9.230 -5.478 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.986 8.395 -3.531 1.00 0.00 O ATOM 0 H GLU A 378 -9.438 8.135 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.917 5.919 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.590 8.309 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.852 8.439 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.590 6.652 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.349 6.583 -3.895 1.00 0.00 H new ATOM 383 N GLY A 379 -10.790 6.468 -7.582 1.00 0.00 N ATOM 384 CA GLY A 379 -11.057 5.857 -8.866 1.00 0.00 C ATOM 385 C GLY A 379 -10.374 4.519 -9.055 1.00 0.00 C ATOM 386 O GLY A 379 -10.957 3.601 -9.632 1.00 0.00 O ATOM 0 H GLY A 379 -10.278 7.349 -7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.133 5.725 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.734 6.535 -9.656 1.00 0.00 H new ATOM 390 N SER A 380 -9.136 4.403 -8.592 1.00 0.00 N ATOM 391 CA SER A 380 -8.394 3.159 -8.746 1.00 0.00 C ATOM 392 C SER A 380 -8.848 2.092 -7.751 1.00 0.00 C ATOM 393 O SER A 380 -9.033 0.929 -8.117 1.00 0.00 O ATOM 394 CB SER A 380 -6.896 3.414 -8.579 1.00 0.00 C ATOM 395 OG SER A 380 -6.602 3.907 -7.284 1.00 0.00 O ATOM 0 H SER A 380 -8.629 5.147 -8.112 1.00 0.00 H new ATOM 0 HA SER A 380 -8.595 2.785 -9.750 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.345 2.489 -8.753 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.561 4.131 -9.329 1.00 0.00 H new ATOM 0 HG SER A 380 -7.387 4.371 -6.925 1.00 0.00 H new ATOM 401 N CYS A 381 -8.996 2.479 -6.489 1.00 0.00 N ATOM 402 CA CYS A 381 -9.382 1.534 -5.449 1.00 0.00 C ATOM 403 C CYS A 381 -10.732 0.878 -5.720 1.00 0.00 C ATOM 404 O CYS A 381 -10.914 -0.300 -5.416 1.00 0.00 O ATOM 405 CB CYS A 381 -9.385 2.193 -4.076 1.00 0.00 C ATOM 406 SG CYS A 381 -8.871 1.048 -2.759 1.00 0.00 S ATOM 0 H CYS A 381 -8.855 3.435 -6.163 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.629 0.746 -5.461 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -8.716 3.054 -4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.385 2.569 -3.858 1.00 0.00 H new ATOM 411 N ASN A 382 -11.675 1.624 -6.291 1.00 0.00 N ATOM 412 CA ASN A 382 -12.987 1.059 -6.593 1.00 0.00 C ATOM 413 C ASN A 382 -12.812 -0.213 -7.406 1.00 0.00 C ATOM 414 O ASN A 382 -13.645 -1.120 -7.367 1.00 0.00 O ATOM 415 CB ASN A 382 -13.859 2.057 -7.361 1.00 0.00 C ATOM 416 CG ASN A 382 -14.150 3.318 -6.573 1.00 0.00 C ATOM 417 OD1 ASN A 382 -14.819 4.227 -7.064 1.00 0.00 O ATOM 418 ND2 ASN A 382 -13.656 3.381 -5.343 1.00 0.00 N ATOM 0 H ASN A 382 -11.559 2.604 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.490 0.831 -5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.361 2.324 -8.293 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.800 1.577 -7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -13.826 4.205 -4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -13.106 2.605 -4.974 1.00 0.00 H new ATOM 425 N LYS A 383 -11.707 -0.263 -8.138 1.00 0.00 N ATOM 426 CA LYS A 383 -11.377 -1.407 -8.964 1.00 0.00 C ATOM 427 C LYS A 383 -10.635 -2.461 -8.148 1.00 0.00 C ATOM 428 O LYS A 383 -10.746 -3.657 -8.416 1.00 0.00 O ATOM 429 CB LYS A 383 -10.528 -0.959 -10.152 1.00 0.00 C ATOM 430 CG LYS A 383 -11.105 0.244 -10.887 1.00 0.00 C ATOM 431 CD LYS A 383 -12.517 -0.024 -11.392 1.00 0.00 C ATOM 432 CE LYS A 383 -12.547 -1.176 -12.385 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.928 -1.466 -12.860 1.00 0.00 N ATOM 0 H LYS A 383 -11.018 0.489 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.301 -1.851 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.525 -0.715 -9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.428 -1.789 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.115 1.106 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.461 0.499 -11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -13.168 -0.253 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.912 0.875 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.913 -0.936 -13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.129 -2.068 -11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.904 -2.257 -13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -14.528 -1.720 -12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -14.318 -0.623 -13.328 1.00 0.00 H new ATOM 447 N LYS A 384 -9.875 -2.007 -7.148 1.00 0.00 N ATOM 448 CA LYS A 384 -9.116 -2.905 -6.296 1.00 0.00 C ATOM 449 C LYS A 384 -10.014 -3.946 -5.634 1.00 0.00 C ATOM 450 O LYS A 384 -10.976 -3.602 -4.947 1.00 0.00 O ATOM 451 CB LYS A 384 -8.384 -2.092 -5.230 1.00 0.00 C ATOM 452 CG LYS A 384 -7.042 -1.520 -5.676 1.00 0.00 C ATOM 453 CD LYS A 384 -7.102 -0.875 -7.054 1.00 0.00 C ATOM 454 CE LYS A 384 -6.725 -1.855 -8.156 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.750 -1.214 -9.500 1.00 0.00 N ATOM 0 H LYS A 384 -9.774 -1.019 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.396 -3.439 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.027 -1.271 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.222 -2.725 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.708 -0.780 -4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.298 -2.317 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.108 -0.496 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.428 -0.019 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.729 -2.254 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.415 -2.699 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.061 -1.908 -10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.410 -0.410 -9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.797 -0.876 -9.741 1.00 0.00 H new ATOM 469 N ASP A 385 -9.678 -5.221 -5.828 1.00 0.00 N ATOM 470 CA ASP A 385 -10.438 -6.311 -5.231 1.00 0.00 C ATOM 471 C ASP A 385 -10.340 -6.231 -3.713 1.00 0.00 C ATOM 472 O ASP A 385 -9.662 -5.355 -3.186 1.00 0.00 O ATOM 473 CB ASP A 385 -9.913 -7.664 -5.720 1.00 0.00 C ATOM 474 CG ASP A 385 -10.012 -7.818 -7.226 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.510 -6.885 -7.890 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.595 -8.877 -7.741 1.00 0.00 O ATOM 0 H ASP A 385 -8.884 -5.521 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.482 -6.218 -5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.873 -7.778 -5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.476 -8.464 -5.239 1.00 0.00 H new ATOM 481 N GLN A 386 -11.014 -7.137 -3.012 1.00 0.00 N ATOM 482 CA GLN A 386 -10.985 -7.136 -1.551 1.00 0.00 C ATOM 483 C GLN A 386 -9.550 -7.068 -1.033 1.00 0.00 C ATOM 484 O GLN A 386 -9.203 -6.177 -0.260 1.00 0.00 O ATOM 485 CB GLN A 386 -11.686 -8.379 -1.002 1.00 0.00 C ATOM 486 CG GLN A 386 -11.768 -8.412 0.515 1.00 0.00 C ATOM 487 CD GLN A 386 -12.533 -9.614 1.033 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.158 -10.758 0.782 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.614 -9.357 1.760 1.00 0.00 N ATOM 0 H GLN A 386 -11.583 -7.876 -3.426 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.516 -6.250 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.694 -8.428 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.157 -9.267 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.760 -8.422 0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.249 -7.500 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.888 -8.392 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.171 -10.125 2.135 1.00 0.00 H new ATOM 498 N ASN A 387 -8.715 -8.002 -1.478 1.00 0.00 N ATOM 499 CA ASN A 387 -7.318 -8.035 -1.069 1.00 0.00 C ATOM 500 C ASN A 387 -6.596 -6.768 -1.518 1.00 0.00 C ATOM 501 O ASN A 387 -5.703 -6.269 -0.833 1.00 0.00 O ATOM 502 CB ASN A 387 -6.635 -9.269 -1.659 1.00 0.00 C ATOM 503 CG ASN A 387 -5.148 -9.292 -1.393 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.708 -9.294 -0.244 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.363 -9.309 -2.461 1.00 0.00 N ATOM 0 H ASN A 387 -8.983 -8.746 -2.122 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.273 -8.087 0.019 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.089 -10.167 -1.240 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.809 -9.296 -2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.349 -9.325 -2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.773 -9.307 -3.395 1.00 0.00 H new ATOM 512 N GLU A 388 -6.999 -6.256 -2.673 1.00 0.00 N ATOM 513 CA GLU A 388 -6.412 -5.046 -3.236 1.00 0.00 C ATOM 514 C GLU A 388 -6.788 -3.826 -2.422 1.00 0.00 C ATOM 515 O GLU A 388 -6.015 -2.873 -2.334 1.00 0.00 O ATOM 516 CB GLU A 388 -6.880 -4.871 -4.663 1.00 0.00 C ATOM 517 CG GLU A 388 -6.558 -6.058 -5.535 1.00 0.00 C ATOM 518 CD GLU A 388 -5.074 -6.202 -5.806 1.00 0.00 C ATOM 519 OE1 GLU A 388 -4.481 -5.265 -6.381 1.00 0.00 O ATOM 520 OE2 GLU A 388 -4.504 -7.252 -5.441 1.00 0.00 O ATOM 0 H GLU A 388 -7.738 -6.665 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.327 -5.149 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.957 -4.704 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.416 -3.980 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -6.925 -6.966 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.088 -5.961 -6.483 1.00 0.00 H new ATOM 527 N CYS A 389 -7.981 -3.869 -1.835 1.00 0.00 N ATOM 528 CA CYS A 389 -8.480 -2.767 -1.017 1.00 0.00 C ATOM 529 C CYS A 389 -7.348 -2.234 -0.154 1.00 0.00 C ATOM 530 O CYS A 389 -7.019 -2.801 0.888 1.00 0.00 O ATOM 531 CB CYS A 389 -9.642 -3.247 -0.149 1.00 0.00 C ATOM 532 SG CYS A 389 -10.644 -1.903 0.557 1.00 0.00 S ATOM 0 H CYS A 389 -8.622 -4.658 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.844 -1.965 -1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.287 -3.891 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.247 -3.857 0.663 1.00 0.00 H new ATOM 537 N LYS A 390 -6.727 -1.166 -0.632 1.00 0.00 N ATOM 538 CA LYS A 390 -5.587 -0.569 0.050 1.00 0.00 C ATOM 539 C LYS A 390 -5.978 0.120 1.353 1.00 0.00 C ATOM 540 O LYS A 390 -7.145 0.432 1.585 1.00 0.00 O ATOM 541 CB LYS A 390 -4.881 0.398 -0.890 1.00 0.00 C ATOM 542 CG LYS A 390 -4.263 -0.296 -2.097 1.00 0.00 C ATOM 543 CD LYS A 390 -3.025 -1.094 -1.714 1.00 0.00 C ATOM 544 CE LYS A 390 -1.921 -0.195 -1.181 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.484 0.808 -2.191 1.00 0.00 N ATOM 0 H LYS A 390 -6.995 -0.692 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.904 -1.373 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.593 1.148 -1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -4.101 0.926 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.998 -0.960 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.999 0.448 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.288 -1.834 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.661 -1.641 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.272 0.320 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.068 -0.805 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.532 1.151 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.465 0.367 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.149 1.607 -2.197 1.00 0.00 H new ATOM 559 N SER A 391 -4.980 0.325 2.209 1.00 0.00 N ATOM 560 CA SER A 391 -5.188 0.950 3.515 1.00 0.00 C ATOM 561 C SER A 391 -5.818 2.339 3.392 1.00 0.00 C ATOM 562 O SER A 391 -6.832 2.613 4.035 1.00 0.00 O ATOM 563 CB SER A 391 -3.867 1.036 4.282 1.00 0.00 C ATOM 564 OG SER A 391 -4.056 1.629 5.556 1.00 0.00 O ATOM 0 H SER A 391 -4.012 0.066 2.021 1.00 0.00 H new ATOM 0 HA SER A 391 -5.885 0.320 4.069 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.446 0.038 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.147 1.620 3.709 1.00 0.00 H new ATOM 0 HG SER A 391 -3.198 1.671 6.028 1.00 0.00 H new ATOM 570 N PRO A 392 -5.245 3.241 2.564 1.00 0.00 N ATOM 571 CA PRO A 392 -5.791 4.584 2.384 1.00 0.00 C ATOM 572 C PRO A 392 -7.271 4.530 2.027 1.00 0.00 C ATOM 573 O PRO A 392 -8.020 5.479 2.256 1.00 0.00 O ATOM 574 CB PRO A 392 -4.966 5.164 1.224 1.00 0.00 C ATOM 575 CG PRO A 392 -4.226 4.021 0.633 1.00 0.00 C ATOM 576 CD PRO A 392 -4.046 3.038 1.741 1.00 0.00 C ATOM 0 HA PRO A 392 -5.727 5.188 3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.612 5.635 0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.278 5.931 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.782 3.580 -0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.264 4.342 0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.982 2.016 1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.133 3.229 2.305 1.00 0.00 H new ATOM 584 N CYS A 393 -7.675 3.397 1.466 1.00 0.00 N ATOM 585 CA CYS A 393 -9.057 3.172 1.069 1.00 0.00 C ATOM 586 C CYS A 393 -9.927 2.843 2.278 1.00 0.00 C ATOM 587 O CYS A 393 -9.628 3.240 3.405 1.00 0.00 O ATOM 588 CB CYS A 393 -9.108 2.016 0.071 1.00 0.00 C ATOM 589 SG CYS A 393 -8.024 2.239 -1.370 1.00 0.00 S ATOM 0 H CYS A 393 -7.054 2.611 1.274 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.442 4.082 0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.831 1.095 0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.134 1.892 -0.274 1.00 0.00 H new ATOM 594 N LYS A 394 -10.994 2.099 2.026 1.00 0.00 N ATOM 595 CA LYS A 394 -11.917 1.680 3.072 1.00 0.00 C ATOM 596 C LYS A 394 -12.843 0.595 2.541 1.00 0.00 C ATOM 597 O LYS A 394 -13.564 0.798 1.562 1.00 0.00 O ATOM 598 CB LYS A 394 -12.720 2.875 3.595 1.00 0.00 C ATOM 599 CG LYS A 394 -13.667 2.523 4.734 1.00 0.00 C ATOM 600 CD LYS A 394 -14.265 3.769 5.376 1.00 0.00 C ATOM 601 CE LYS A 394 -15.083 4.580 4.382 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.659 5.803 5.006 1.00 0.00 N ATOM 0 H LYS A 394 -11.244 1.769 1.094 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.344 1.272 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.028 3.646 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.296 3.302 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.468 1.887 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.131 1.947 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.897 3.478 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.465 4.389 5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.453 4.864 3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.888 3.962 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.209 6.328 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.280 5.531 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.890 6.405 5.363 1.00 0.00 H new ATOM 616 N TRP A 395 -12.795 -0.567 3.182 1.00 0.00 N ATOM 617 CA TRP A 395 -13.602 -1.708 2.773 1.00 0.00 C ATOM 618 C TRP A 395 -15.078 -1.502 3.096 1.00 0.00 C ATOM 619 O TRP A 395 -15.423 -0.910 4.120 1.00 0.00 O ATOM 620 CB TRP A 395 -13.094 -2.981 3.452 1.00 0.00 C ATOM 621 CG TRP A 395 -13.728 -4.232 2.924 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.339 -5.213 3.653 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.806 -4.643 1.553 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.795 -6.205 2.818 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.480 -5.878 1.525 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.375 -4.084 0.345 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.731 -6.562 0.339 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.624 -4.766 -0.831 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.297 -5.993 -0.826 1.00 0.00 C ATOM 0 H TRP A 395 -12.201 -0.743 3.992 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.508 -1.808 1.692 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -12.014 -3.047 3.321 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.282 -2.912 4.523 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.448 -5.209 4.728 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.288 -7.048 3.113 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.857 -3.136 0.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.250 -7.509 0.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.294 -4.345 -1.769 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.477 -6.501 -1.762 1.00 0.00 H new ATOM 640 N HIS A 396 -15.944 -2.007 2.222 1.00 0.00 N ATOM 641 CA HIS A 396 -17.384 -1.895 2.419 1.00 0.00 C ATOM 642 C HIS A 396 -18.045 -3.267 2.325 1.00 0.00 C ATOM 643 O HIS A 396 -18.061 -3.892 1.261 1.00 0.00 O ATOM 644 CB HIS A 396 -17.996 -0.948 1.386 1.00 0.00 C ATOM 645 CG HIS A 396 -17.507 0.462 1.505 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.663 1.220 2.646 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.864 1.254 0.615 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.138 2.416 2.454 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.647 2.464 1.229 1.00 0.00 N ATOM 0 H HIS A 396 -15.672 -2.498 1.370 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.560 -1.488 3.415 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.771 -1.319 0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.081 -0.958 1.493 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.575 0.985 -0.390 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.114 3.219 3.176 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.182 3.268 0.807 1.00 0.00 H new ATOM 658 N ASN A 397 -18.586 -3.724 3.453 1.00 0.00 N ATOM 659 CA ASN A 397 -19.252 -5.019 3.530 1.00 0.00 C ATOM 660 C ASN A 397 -20.704 -4.924 3.072 1.00 0.00 C ATOM 661 O ASN A 397 -21.360 -3.899 3.264 1.00 0.00 O ATOM 662 CB ASN A 397 -19.191 -5.561 4.959 1.00 0.00 C ATOM 663 CG ASN A 397 -19.843 -4.627 5.959 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.418 -3.485 6.127 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.883 -5.109 6.630 1.00 0.00 N ATOM 0 H ASN A 397 -18.574 -3.209 4.333 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.729 -5.704 2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.684 -6.532 4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.150 -5.721 5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -21.362 -4.526 7.316 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -21.203 -6.062 6.459 1.00 0.00 H new ATOM 672 N ASP A 398 -21.196 -6.003 2.470 1.00 0.00 N ATOM 673 CA ASP A 398 -22.571 -6.056 1.982 1.00 0.00 C ATOM 674 C ASP A 398 -22.841 -4.935 0.985 1.00 0.00 C ATOM 675 O ASP A 398 -23.949 -4.404 0.913 1.00 0.00 O ATOM 676 CB ASP A 398 -23.558 -5.967 3.150 1.00 0.00 C ATOM 677 CG ASP A 398 -23.410 -7.120 4.127 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.546 -7.991 3.893 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.160 -7.150 5.125 1.00 0.00 O ATOM 0 H ASP A 398 -20.661 -6.856 2.308 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.709 -7.010 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.406 -5.026 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.576 -5.954 2.761 1.00 0.00 H new ATOM 684 N ALA A 399 -21.818 -4.585 0.214 1.00 0.00 N ATOM 685 CA ALA A 399 -21.936 -3.534 -0.788 1.00 0.00 C ATOM 686 C ALA A 399 -22.546 -4.074 -2.073 1.00 0.00 C ATOM 687 O ALA A 399 -22.093 -3.748 -3.171 1.00 0.00 O ATOM 688 CB ALA A 399 -20.575 -2.928 -1.067 1.00 0.00 C ATOM 0 H ALA A 399 -20.895 -5.016 0.265 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.597 -2.760 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.673 -2.143 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.171 -2.503 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.901 -3.701 -1.437 1.00 0.00 H new ATOM 694 N GLU A 400 -23.565 -4.914 -1.919 1.00 0.00 N ATOM 695 CA GLU A 400 -24.253 -5.535 -3.044 1.00 0.00 C ATOM 696 C GLU A 400 -23.395 -6.639 -3.653 1.00 0.00 C ATOM 697 O GLU A 400 -23.911 -7.578 -4.261 1.00 0.00 O ATOM 698 CB GLU A 400 -24.617 -4.495 -4.105 1.00 0.00 C ATOM 699 CG GLU A 400 -25.457 -5.059 -5.234 1.00 0.00 C ATOM 700 CD GLU A 400 -25.812 -4.017 -6.276 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.883 -3.446 -6.886 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.019 -3.771 -6.481 1.00 0.00 O ATOM 0 H GLU A 400 -23.937 -5.183 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.177 -5.978 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.160 -3.677 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.701 -4.072 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.915 -5.875 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.373 -5.483 -4.823 1.00 0.00 H new ATOM 709 N ASN A 401 -22.081 -6.517 -3.477 1.00 0.00 N ATOM 710 CA ASN A 401 -21.138 -7.495 -3.999 1.00 0.00 C ATOM 711 C ASN A 401 -19.722 -7.150 -3.549 1.00 0.00 C ATOM 712 O ASN A 401 -18.752 -7.402 -4.265 1.00 0.00 O ATOM 713 CB ASN A 401 -21.219 -7.524 -5.523 1.00 0.00 C ATOM 714 CG ASN A 401 -20.795 -6.208 -6.149 1.00 0.00 C ATOM 715 OD1 ASN A 401 -19.613 -5.865 -6.169 1.00 0.00 O ATOM 716 ND2 ASN A 401 -21.767 -5.453 -6.642 1.00 0.00 N ATOM 0 H ASN A 401 -21.646 -5.744 -2.973 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.393 -8.482 -3.612 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.585 -8.325 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.240 -7.755 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.548 -4.548 -7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.733 -5.777 -6.604 1.00 0.00 H new ATOM 723 N LYS A 402 -19.625 -6.567 -2.355 1.00 0.00 N ATOM 724 CA LYS A 402 -18.342 -6.163 -1.782 1.00 0.00 C ATOM 725 C LYS A 402 -17.708 -5.060 -2.627 1.00 0.00 C ATOM 726 O LYS A 402 -17.562 -5.206 -3.841 1.00 0.00 O ATOM 727 CB LYS A 402 -17.387 -7.362 -1.677 1.00 0.00 C ATOM 728 CG LYS A 402 -17.822 -8.427 -0.674 1.00 0.00 C ATOM 729 CD LYS A 402 -19.074 -9.162 -1.129 1.00 0.00 C ATOM 730 CE LYS A 402 -19.491 -10.228 -0.128 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.706 -10.963 -0.575 1.00 0.00 N ATOM 0 H LYS A 402 -20.428 -6.362 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.524 -5.780 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.292 -7.823 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.397 -7.000 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.013 -9.143 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.007 -7.960 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.887 -8.449 -1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.893 -9.624 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.672 -10.933 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.683 -9.763 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.958 -11.681 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -21.495 -10.294 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.515 -11.428 -1.485 1.00 0.00 H new ATOM 745 N LYS A 403 -17.342 -3.947 -1.990 1.00 0.00 N ATOM 746 CA LYS A 403 -16.743 -2.827 -2.717 1.00 0.00 C ATOM 747 C LYS A 403 -15.729 -2.067 -1.866 1.00 0.00 C ATOM 748 O LYS A 403 -15.897 -1.925 -0.654 1.00 0.00 O ATOM 749 CB LYS A 403 -17.827 -1.856 -3.195 1.00 0.00 C ATOM 750 CG LYS A 403 -18.881 -2.495 -4.085 1.00 0.00 C ATOM 751 CD LYS A 403 -19.781 -1.455 -4.744 1.00 0.00 C ATOM 752 CE LYS A 403 -20.668 -0.734 -3.738 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.885 0.123 -2.804 1.00 0.00 N ATOM 0 H LYS A 403 -17.448 -3.797 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.220 -3.250 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.317 -1.418 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.354 -1.039 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.392 -3.091 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.490 -3.178 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.165 -0.725 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.406 -1.942 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.392 -0.118 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.235 -1.468 -3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.418 0.993 -2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.716 -0.394 -1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -18.974 0.369 -3.240 1.00 0.00 H new ATOM 767 N CYS A 404 -14.683 -1.566 -2.522 1.00 0.00 N ATOM 768 CA CYS A 404 -13.640 -0.799 -1.849 1.00 0.00 C ATOM 769 C CYS A 404 -13.541 0.600 -2.448 1.00 0.00 C ATOM 770 O CYS A 404 -13.686 0.773 -3.657 1.00 0.00 O ATOM 771 CB CYS A 404 -12.283 -1.494 -1.973 1.00 0.00 C ATOM 772 SG CYS A 404 -10.954 -0.678 -1.031 1.00 0.00 S ATOM 0 H CYS A 404 -14.537 -1.680 -3.525 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.907 -0.728 -0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.380 -2.524 -1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.000 -1.533 -3.025 1.00 0.00 H new ATOM 777 N THR A 405 -13.294 1.596 -1.602 1.00 0.00 N ATOM 778 CA THR A 405 -13.177 2.974 -2.068 1.00 0.00 C ATOM 779 C THR A 405 -12.123 3.741 -1.277 1.00 0.00 C ATOM 780 O THR A 405 -12.035 3.619 -0.055 1.00 0.00 O ATOM 781 CB THR A 405 -14.520 3.722 -1.969 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.957 3.768 -0.605 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.580 3.045 -2.825 1.00 0.00 C ATOM 0 H THR A 405 -13.172 1.476 -0.596 1.00 0.00 H new ATOM 0 HA THR A 405 -12.875 2.923 -3.114 1.00 0.00 H new ATOM 0 HB THR A 405 -14.373 4.738 -2.336 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.536 4.548 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.520 3.591 -2.739 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.258 3.039 -3.866 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.723 2.020 -2.484 1.00 0.00 H new ATOM 791 N LEU A 406 -11.325 4.530 -1.992 1.00 0.00 N ATOM 792 CA LEU A 406 -10.269 5.324 -1.382 1.00 0.00 C ATOM 793 C LEU A 406 -10.859 6.354 -0.428 1.00 0.00 C ATOM 794 O LEU A 406 -11.931 6.908 -0.678 1.00 0.00 O ATOM 795 CB LEU A 406 -9.442 6.008 -2.472 1.00 0.00 C ATOM 796 CG LEU A 406 -8.089 6.579 -2.040 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.264 7.848 -1.227 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.297 5.541 -1.266 1.00 0.00 C ATOM 0 H LEU A 406 -11.394 4.635 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.617 4.666 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.270 5.289 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.036 6.818 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.528 6.838 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.286 8.230 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.781 8.596 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -8.850 7.630 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.338 5.964 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.856 5.245 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.128 4.668 -1.896 1.00 0.00 H new ATOM 810 N ASP A 407 -10.152 6.602 0.664 1.00 0.00 N ATOM 811 CA ASP A 407 -10.599 7.565 1.665 1.00 0.00 C ATOM 812 C ASP A 407 -9.640 8.748 1.739 1.00 0.00 C ATOM 813 O ASP A 407 -8.425 8.567 1.805 1.00 0.00 O ATOM 814 CB ASP A 407 -10.709 6.891 3.035 1.00 0.00 C ATOM 815 CG ASP A 407 -11.295 7.805 4.095 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.660 8.952 3.760 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.394 7.371 5.261 1.00 0.00 O ATOM 0 H ASP A 407 -9.264 6.150 0.882 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.582 7.934 1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.330 5.999 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.720 6.561 3.353 1.00 0.00 H new ATOM 822 N LYS A 408 -10.193 9.957 1.723 1.00 0.00 N ATOM 823 CA LYS A 408 -9.384 11.170 1.786 1.00 0.00 C ATOM 824 C LYS A 408 -8.660 11.284 3.125 1.00 0.00 C ATOM 825 O LYS A 408 -7.485 11.644 3.174 1.00 0.00 O ATOM 826 CB LYS A 408 -10.261 12.403 1.561 1.00 0.00 C ATOM 827 CG LYS A 408 -10.937 12.429 0.200 1.00 0.00 C ATOM 828 CD LYS A 408 -11.815 13.658 0.038 1.00 0.00 C ATOM 829 CE LYS A 408 -12.454 13.707 -1.341 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.320 12.522 -1.595 1.00 0.00 N ATOM 0 H LYS A 408 -11.198 10.123 1.667 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.634 11.113 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.025 12.442 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.649 13.298 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.180 12.416 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.541 11.530 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.593 13.654 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.218 14.556 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.047 14.617 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.674 13.756 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.892 12.686 -2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.725 11.680 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.949 12.371 -0.781 1.00 0.00 H new ATOM 844 N GLU A 409 -9.370 10.980 4.207 1.00 0.00 N ATOM 845 CA GLU A 409 -8.795 11.054 5.547 1.00 0.00 C ATOM 846 C GLU A 409 -7.647 10.063 5.712 1.00 0.00 C ATOM 847 O GLU A 409 -6.597 10.399 6.258 1.00 0.00 O ATOM 848 CB GLU A 409 -9.871 10.782 6.600 1.00 0.00 C ATOM 849 CG GLU A 409 -11.043 11.751 6.545 1.00 0.00 C ATOM 850 CD GLU A 409 -10.647 13.178 6.876 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.820 13.754 6.138 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.165 13.719 7.875 1.00 0.00 O ATOM 0 H GLU A 409 -10.345 10.680 4.183 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.400 12.060 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.245 9.766 6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.418 10.830 7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.484 11.724 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.813 11.422 7.243 1.00 0.00 H new ATOM 859 N GLU A 410 -7.855 8.840 5.241 1.00 0.00 N ATOM 860 CA GLU A 410 -6.836 7.800 5.341 1.00 0.00 C ATOM 861 C GLU A 410 -5.664 8.084 4.407 1.00 0.00 C ATOM 862 O GLU A 410 -4.511 7.857 4.766 1.00 0.00 O ATOM 863 CB GLU A 410 -7.439 6.431 5.023 1.00 0.00 C ATOM 864 CG GLU A 410 -8.574 6.034 5.955 1.00 0.00 C ATOM 865 CD GLU A 410 -8.136 5.942 7.404 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.237 5.129 7.702 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.694 6.683 8.242 1.00 0.00 O ATOM 0 H GLU A 410 -8.718 8.543 4.786 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.463 7.796 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.807 6.435 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.654 5.676 5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.381 6.762 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -8.978 5.072 5.640 1.00 0.00 H new ATOM 874 N ALA A 411 -5.966 8.571 3.206 1.00 0.00 N ATOM 875 CA ALA A 411 -4.931 8.877 2.220 1.00 0.00 C ATOM 876 C ALA A 411 -4.028 10.015 2.681 1.00 0.00 C ATOM 877 O ALA A 411 -2.808 9.927 2.572 1.00 0.00 O ATOM 878 CB ALA A 411 -5.565 9.220 0.880 1.00 0.00 C ATOM 0 H ALA A 411 -6.917 8.762 2.892 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.311 7.988 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.783 9.446 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.153 8.372 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.214 10.088 0.996 1.00 0.00 H new ATOM 884 N LYS A 412 -4.624 11.085 3.193 1.00 0.00 N ATOM 885 CA LYS A 412 -3.841 12.220 3.661 1.00 0.00 C ATOM 886 C LYS A 412 -2.918 11.785 4.794 1.00 0.00 C ATOM 887 O LYS A 412 -1.743 12.148 4.825 1.00 0.00 O ATOM 888 CB LYS A 412 -4.754 13.364 4.114 1.00 0.00 C ATOM 889 CG LYS A 412 -5.657 13.010 5.284 1.00 0.00 C ATOM 890 CD LYS A 412 -6.541 14.180 5.697 1.00 0.00 C ATOM 891 CE LYS A 412 -5.735 15.318 6.315 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.846 15.985 5.323 1.00 0.00 N ATOM 0 H LYS A 412 -5.634 11.190 3.294 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.232 12.587 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.137 14.219 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.373 13.676 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.284 12.160 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.047 12.700 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.081 14.551 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.288 13.835 6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.417 16.054 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.132 14.929 7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.775 16.998 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.900 15.555 5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.241 15.868 4.368 1.00 0.00 H new