USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HE2:sc= -2.43! C(o=-2.2!,f=-3.6!) USER MOD Set 1.2: A 405 THR OG1 : rot -91:sc= 0.206 USER MOD Set 2.1: A 377 THR OG1 : rot 125:sc= 0.988 USER MOD Set 2.2: A 380 SER OG : rot 110:sc= 1.16 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.19 F(o=-3.7!,f=-1.2) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 390 LYS NZ :NH3+ -156:sc= -1.26 (180deg=-1.84) 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= -0.379 X(o=-0.38,f=-0.47) USER MOD Single : A 401 ASN :FLIP amide:sc= -1.55 F(o=-6.4!,f=-1.6) USER MOD Single : A 402 LYS NZ :NH3+ -168:sc=-0.00779 (180deg=-0.208) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 145:sc= -3.32! (180deg=-5.76!) USER MOD Single : A 412 LYS NZ :NH3+ 167:sc= -0.0221 (180deg=-0.227) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.373 6.402 -3.528 1.00 0.00 N ATOM 340 CA GLU A 376 -4.570 6.913 -2.879 1.00 0.00 C ATOM 341 C GLU A 376 -5.438 7.710 -3.842 1.00 0.00 C ATOM 342 O GLU A 376 -5.338 8.934 -3.922 1.00 0.00 O ATOM 343 CB GLU A 376 -4.178 7.787 -1.693 1.00 0.00 C ATOM 344 CG GLU A 376 -3.005 8.703 -1.998 1.00 0.00 C ATOM 345 CD GLU A 376 -2.904 9.867 -1.035 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.860 10.668 -0.967 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.868 9.979 -0.349 1.00 0.00 O ATOM 0 HA GLU A 376 -5.154 6.059 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.035 8.390 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.924 7.149 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.081 8.126 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.103 9.085 -3.014 1.00 0.00 H new ATOM 354 N THR A 377 -6.304 7.002 -4.550 1.00 0.00 N ATOM 355 CA THR A 377 -7.215 7.624 -5.496 1.00 0.00 C ATOM 356 C THR A 377 -8.489 6.813 -5.607 1.00 0.00 C ATOM 357 O THR A 377 -8.458 5.582 -5.588 1.00 0.00 O ATOM 358 CB THR A 377 -6.600 7.766 -6.899 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.177 6.486 -7.384 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.422 8.730 -6.890 1.00 0.00 C ATOM 0 H THR A 377 -6.395 5.988 -4.486 1.00 0.00 H new ATOM 0 HA THR A 377 -7.427 8.622 -5.113 1.00 0.00 H new ATOM 0 HB THR A 377 -7.366 8.169 -7.562 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.589 6.314 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.009 8.809 -7.896 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.758 9.712 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.654 8.360 -6.210 1.00 0.00 H new ATOM 368 N GLU A 378 -9.608 7.509 -5.719 1.00 0.00 N ATOM 369 CA GLU A 378 -10.898 6.850 -5.833 1.00 0.00 C ATOM 370 C GLU A 378 -10.887 5.884 -7.008 1.00 0.00 C ATOM 371 O GLU A 378 -11.482 4.810 -6.955 1.00 0.00 O ATOM 372 CB GLU A 378 -12.008 7.882 -6.020 1.00 0.00 C ATOM 373 CG GLU A 378 -13.402 7.278 -6.032 1.00 0.00 C ATOM 374 CD GLU A 378 -14.493 8.320 -6.202 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.159 9.519 -6.308 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.681 7.935 -6.229 1.00 0.00 O ATOM 0 H GLU A 378 -9.649 8.528 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.087 6.294 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.947 8.619 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.844 8.415 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.471 6.551 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.566 6.735 -5.101 1.00 0.00 H new ATOM 383 N GLY A 379 -10.203 6.291 -8.067 1.00 0.00 N ATOM 384 CA GLY A 379 -10.113 5.476 -9.261 1.00 0.00 C ATOM 385 C GLY A 379 -9.396 4.159 -9.045 1.00 0.00 C ATOM 386 O GLY A 379 -9.798 3.136 -9.601 1.00 0.00 O ATOM 0 H GLY A 379 -9.705 7.179 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.119 5.276 -9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.594 6.039 -10.037 1.00 0.00 H new ATOM 390 N SER A 380 -8.329 4.172 -8.254 1.00 0.00 N ATOM 391 CA SER A 380 -7.566 2.955 -7.998 1.00 0.00 C ATOM 392 C SER A 380 -8.306 2.021 -7.045 1.00 0.00 C ATOM 393 O SER A 380 -8.381 0.812 -7.271 1.00 0.00 O ATOM 394 CB SER A 380 -6.196 3.300 -7.429 1.00 0.00 C ATOM 395 OG SER A 380 -5.447 4.088 -8.339 1.00 0.00 O ATOM 0 H SER A 380 -7.975 5.004 -7.782 1.00 0.00 H new ATOM 0 HA SER A 380 -7.441 2.437 -8.949 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.315 3.839 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.651 2.383 -7.204 1.00 0.00 H new ATOM 0 HG SER A 380 -5.366 5.001 -7.992 1.00 0.00 H new ATOM 401 N CYS A 381 -8.839 2.592 -5.974 1.00 0.00 N ATOM 402 CA CYS A 381 -9.559 1.820 -4.965 1.00 0.00 C ATOM 403 C CYS A 381 -10.740 1.056 -5.555 1.00 0.00 C ATOM 404 O CYS A 381 -10.912 -0.133 -5.283 1.00 0.00 O ATOM 405 CB CYS A 381 -10.035 2.745 -3.849 1.00 0.00 C ATOM 406 SG CYS A 381 -8.684 3.486 -2.886 1.00 0.00 S ATOM 0 H CYS A 381 -8.787 3.592 -5.779 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.867 1.081 -4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.639 3.542 -4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.683 2.184 -3.176 1.00 0.00 H new ATOM 411 N ASN A 382 -11.555 1.739 -6.350 1.00 0.00 N ATOM 412 CA ASN A 382 -12.724 1.113 -6.963 1.00 0.00 C ATOM 413 C ASN A 382 -12.335 -0.153 -7.714 1.00 0.00 C ATOM 414 O ASN A 382 -13.115 -1.103 -7.795 1.00 0.00 O ATOM 415 CB ASN A 382 -13.416 2.089 -7.918 1.00 0.00 C ATOM 416 CG ASN A 382 -13.890 3.354 -7.230 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.643 3.459 -5.928 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.474 4.234 -7.862 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.430 2.723 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.415 0.844 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.727 2.354 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.269 1.593 -8.381 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.645 4.117 -8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.787 5.081 -7.387 1.00 0.00 H new ATOM 425 N LYS A 383 -11.128 -0.157 -8.266 1.00 0.00 N ATOM 426 CA LYS A 383 -10.637 -1.300 -9.019 1.00 0.00 C ATOM 427 C LYS A 383 -10.261 -2.450 -8.090 1.00 0.00 C ATOM 428 O LYS A 383 -10.501 -3.617 -8.401 1.00 0.00 O ATOM 429 CB LYS A 383 -9.430 -0.889 -9.863 1.00 0.00 C ATOM 430 CG LYS A 383 -9.688 0.337 -10.729 1.00 0.00 C ATOM 431 CD LYS A 383 -10.856 0.124 -11.684 1.00 0.00 C ATOM 432 CE LYS A 383 -10.591 -1.017 -12.655 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.744 -1.245 -13.571 1.00 0.00 N ATOM 0 H LYS A 383 -10.471 0.621 -8.205 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.435 -1.644 -9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.586 -0.688 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.142 -1.723 -10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.894 1.196 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.790 0.573 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.759 -0.088 -11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.041 1.041 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.699 -0.795 -13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.386 -1.930 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.524 -2.030 -14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.589 -1.482 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.924 -0.382 -14.123 1.00 0.00 H new ATOM 447 N LYS A 384 -9.650 -2.113 -6.956 1.00 0.00 N ATOM 448 CA LYS A 384 -9.217 -3.101 -5.991 1.00 0.00 C ATOM 449 C LYS A 384 -10.357 -3.978 -5.500 1.00 0.00 C ATOM 450 O LYS A 384 -11.497 -3.873 -5.951 1.00 0.00 O ATOM 451 CB LYS A 384 -8.574 -2.401 -4.803 1.00 0.00 C ATOM 452 CG LYS A 384 -7.520 -1.390 -5.203 1.00 0.00 C ATOM 453 CD LYS A 384 -6.402 -2.028 -6.008 1.00 0.00 C ATOM 454 CE LYS A 384 -6.685 -1.996 -7.501 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.503 -2.422 -8.301 1.00 0.00 N ATOM 0 H LYS A 384 -9.445 -1.150 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.499 -3.750 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.348 -1.898 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.122 -3.148 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.982 -0.596 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.104 -0.925 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.466 -1.507 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.268 -3.061 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.529 -2.649 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.977 -0.987 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.738 -2.386 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.705 -1.784 -8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.240 -3.394 -8.041 1.00 0.00 H new ATOM 469 N ASP A 385 -10.017 -4.834 -4.552 1.00 0.00 N ATOM 470 CA ASP A 385 -10.969 -5.748 -3.941 1.00 0.00 C ATOM 471 C ASP A 385 -10.619 -5.939 -2.470 1.00 0.00 C ATOM 472 O ASP A 385 -9.987 -5.076 -1.867 1.00 0.00 O ATOM 473 CB ASP A 385 -10.952 -7.100 -4.661 1.00 0.00 C ATOM 474 CG ASP A 385 -11.422 -7.006 -6.100 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.742 -6.340 -6.908 1.00 0.00 O ATOM 476 OD2 ASP A 385 -12.475 -7.600 -6.419 1.00 0.00 O ATOM 0 H ASP A 385 -9.070 -4.916 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.970 -5.324 -4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.940 -7.505 -4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.588 -7.802 -4.121 1.00 0.00 H new ATOM 481 N GLN A 386 -11.013 -7.066 -1.891 1.00 0.00 N ATOM 482 CA GLN A 386 -10.710 -7.331 -0.491 1.00 0.00 C ATOM 483 C GLN A 386 -9.203 -7.460 -0.294 1.00 0.00 C ATOM 484 O GLN A 386 -8.604 -6.732 0.498 1.00 0.00 O ATOM 485 CB GLN A 386 -11.416 -8.605 -0.022 1.00 0.00 C ATOM 486 CG GLN A 386 -11.262 -8.878 1.466 1.00 0.00 C ATOM 487 CD GLN A 386 -11.961 -10.152 1.897 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.658 -11.238 1.403 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.905 -10.026 2.823 1.00 0.00 N ATOM 0 H GLN A 386 -11.537 -7.803 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.072 -6.495 0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.477 -8.530 -0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.023 -9.454 -0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.202 -8.948 1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.665 -8.037 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.124 -9.106 3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.410 -10.849 3.151 1.00 0.00 H new ATOM 498 N ASN A 387 -8.598 -8.384 -1.032 1.00 0.00 N ATOM 499 CA ASN A 387 -7.167 -8.617 -0.961 1.00 0.00 C ATOM 500 C ASN A 387 -6.381 -7.522 -1.673 1.00 0.00 C ATOM 501 O ASN A 387 -5.198 -7.695 -1.968 1.00 0.00 O ATOM 502 CB ASN A 387 -6.852 -9.960 -1.600 1.00 0.00 C ATOM 503 CG ASN A 387 -7.191 -11.132 -0.705 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.339 -11.308 -0.294 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.187 -11.944 -0.401 1.00 0.00 N ATOM 0 H ASN A 387 -9.086 -8.988 -1.693 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.872 -8.612 0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.406 -10.051 -2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.792 -9.997 -1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.350 -12.754 0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.252 -11.758 -0.765 1.00 0.00 H new ATOM 512 N GLU A 388 -7.036 -6.401 -1.956 1.00 0.00 N ATOM 513 CA GLU A 388 -6.378 -5.296 -2.644 1.00 0.00 C ATOM 514 C GLU A 388 -6.877 -3.957 -2.127 1.00 0.00 C ATOM 515 O GLU A 388 -6.423 -2.905 -2.577 1.00 0.00 O ATOM 516 CB GLU A 388 -6.608 -5.394 -4.154 1.00 0.00 C ATOM 517 CG GLU A 388 -6.199 -6.734 -4.745 1.00 0.00 C ATOM 518 CD GLU A 388 -6.291 -6.755 -6.258 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.610 -5.933 -6.907 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.045 -7.593 -6.795 1.00 0.00 O ATOM 0 H GLU A 388 -8.015 -6.234 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.309 -5.364 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.663 -5.220 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.049 -4.601 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.177 -6.963 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.836 -7.518 -4.335 1.00 0.00 H new ATOM 527 N CYS A 389 -7.797 -3.994 -1.169 1.00 0.00 N ATOM 528 CA CYS A 389 -8.319 -2.764 -0.599 1.00 0.00 C ATOM 529 C CYS A 389 -7.201 -2.075 0.174 1.00 0.00 C ATOM 530 O CYS A 389 -6.840 -2.491 1.276 1.00 0.00 O ATOM 531 CB CYS A 389 -9.524 -3.051 0.299 1.00 0.00 C ATOM 532 SG CYS A 389 -10.613 -1.612 0.543 1.00 0.00 S ATOM 0 H CYS A 389 -8.190 -4.850 -0.778 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.665 -2.104 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.104 -3.865 -0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.169 -3.396 1.270 1.00 0.00 H new ATOM 537 N LYS A 390 -6.625 -1.051 -0.443 1.00 0.00 N ATOM 538 CA LYS A 390 -5.504 -0.322 0.138 1.00 0.00 C ATOM 539 C LYS A 390 -5.909 0.532 1.337 1.00 0.00 C ATOM 540 O LYS A 390 -7.081 0.856 1.528 1.00 0.00 O ATOM 541 CB LYS A 390 -4.842 0.534 -0.934 1.00 0.00 C ATOM 542 CG LYS A 390 -4.406 -0.270 -2.154 1.00 0.00 C ATOM 543 CD LYS A 390 -3.733 0.611 -3.198 1.00 0.00 C ATOM 544 CE LYS A 390 -4.670 1.698 -3.706 1.00 0.00 C ATOM 545 NZ LYS A 390 -5.887 1.131 -4.347 1.00 0.00 N ATOM 0 H LYS A 390 -6.920 -0.704 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.793 -1.058 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.536 1.313 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.973 1.034 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.719 -1.057 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.274 -0.760 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.843 1.070 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.402 -0.004 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -4.964 2.340 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -4.142 2.326 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -6.282 1.823 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -5.637 0.261 -4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -6.594 0.912 -3.617 1.00 0.00 H new ATOM 559 N SER A 391 -4.910 0.869 2.151 1.00 0.00 N ATOM 560 CA SER A 391 -5.106 1.664 3.362 1.00 0.00 C ATOM 561 C SER A 391 -5.873 2.968 3.108 1.00 0.00 C ATOM 562 O SER A 391 -6.799 3.286 3.853 1.00 0.00 O ATOM 563 CB SER A 391 -3.754 1.978 4.002 1.00 0.00 C ATOM 564 OG SER A 391 -3.916 2.696 5.212 1.00 0.00 O ATOM 0 H SER A 391 -3.940 0.598 1.989 1.00 0.00 H new ATOM 0 HA SER A 391 -5.715 1.063 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.216 1.050 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.147 2.560 3.309 1.00 0.00 H new ATOM 0 HG SER A 391 -3.036 2.883 5.602 1.00 0.00 H new ATOM 570 N PRO A 392 -5.523 3.745 2.060 1.00 0.00 N ATOM 571 CA PRO A 392 -6.217 4.995 1.755 1.00 0.00 C ATOM 572 C PRO A 392 -7.674 4.744 1.442 1.00 0.00 C ATOM 573 O PRO A 392 -8.543 5.570 1.717 1.00 0.00 O ATOM 574 CB PRO A 392 -5.498 5.516 0.507 1.00 0.00 C ATOM 575 CG PRO A 392 -4.187 4.836 0.509 1.00 0.00 C ATOM 576 CD PRO A 392 -4.458 3.482 1.079 1.00 0.00 C ATOM 0 HA PRO A 392 -6.196 5.695 2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -6.061 5.286 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -5.381 6.599 0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.777 4.766 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.460 5.380 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.780 2.778 0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.571 3.057 1.549 1.00 0.00 H new ATOM 584 N CYS A 393 -7.918 3.590 0.844 1.00 0.00 N ATOM 585 CA CYS A 393 -9.260 3.196 0.452 1.00 0.00 C ATOM 586 C CYS A 393 -10.166 3.003 1.665 1.00 0.00 C ATOM 587 O CYS A 393 -9.868 3.469 2.766 1.00 0.00 O ATOM 588 CB CYS A 393 -9.198 1.902 -0.357 1.00 0.00 C ATOM 589 SG CYS A 393 -8.022 1.950 -1.747 1.00 0.00 S ATOM 0 H CYS A 393 -7.197 2.905 0.618 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.682 3.995 -0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.925 1.083 0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.193 1.680 -0.744 1.00 0.00 H new ATOM 594 N LYS A 394 -11.270 2.300 1.447 1.00 0.00 N ATOM 595 CA LYS A 394 -12.234 2.020 2.500 1.00 0.00 C ATOM 596 C LYS A 394 -13.088 0.819 2.114 1.00 0.00 C ATOM 597 O LYS A 394 -13.888 0.881 1.176 1.00 0.00 O ATOM 598 CB LYS A 394 -13.110 3.251 2.761 1.00 0.00 C ATOM 599 CG LYS A 394 -14.121 3.065 3.881 1.00 0.00 C ATOM 600 CD LYS A 394 -14.835 4.369 4.214 1.00 0.00 C ATOM 601 CE LYS A 394 -15.576 4.932 3.010 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.274 6.206 3.333 1.00 0.00 N ATOM 0 H LYS A 394 -11.521 1.910 0.539 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.699 1.784 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.467 4.097 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.642 3.507 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.854 2.313 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.615 2.689 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.540 4.200 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.109 5.101 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.871 5.101 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -16.302 4.200 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.766 6.556 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.965 6.040 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.579 6.913 3.647 1.00 0.00 H new ATOM 616 N TRP A 395 -12.884 -0.278 2.838 1.00 0.00 N ATOM 617 CA TRP A 395 -13.598 -1.522 2.583 1.00 0.00 C ATOM 618 C TRP A 395 -15.059 -1.428 3.011 1.00 0.00 C ATOM 619 O TRP A 395 -15.395 -0.726 3.965 1.00 0.00 O ATOM 620 CB TRP A 395 -12.911 -2.678 3.318 1.00 0.00 C ATOM 621 CG TRP A 395 -13.439 -4.029 2.939 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.921 -4.988 3.782 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.520 -4.577 1.618 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.306 -6.096 3.065 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.070 -5.867 1.735 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.186 -4.100 0.348 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.293 -6.684 0.630 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.406 -4.911 -0.748 1.00 0.00 C ATOM 629 CH2 TRP A 395 -13.955 -6.190 -0.601 1.00 0.00 C ATOM 0 H TRP A 395 -12.223 -0.328 3.613 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.576 -1.707 1.509 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.841 -2.644 3.111 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.033 -2.538 4.392 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.990 -4.891 4.855 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.703 -6.949 3.459 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.763 -3.114 0.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.717 -7.671 0.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.150 -4.553 -1.734 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.115 -6.800 -1.478 1.00 0.00 H new ATOM 640 N HIS A 396 -15.921 -2.151 2.302 1.00 0.00 N ATOM 641 CA HIS A 396 -17.347 -2.166 2.604 1.00 0.00 C ATOM 642 C HIS A 396 -17.901 -3.581 2.506 1.00 0.00 C ATOM 643 O HIS A 396 -17.921 -4.181 1.425 1.00 0.00 O ATOM 644 CB HIS A 396 -18.108 -1.243 1.652 1.00 0.00 C ATOM 645 CG HIS A 396 -17.763 0.203 1.818 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.970 0.894 2.993 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.225 1.093 0.949 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.576 2.145 2.841 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.119 2.290 1.611 1.00 0.00 N ATOM 0 H HIS A 396 -15.654 -2.737 1.511 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.480 -1.806 3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.900 -1.542 0.625 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.178 -1.373 1.811 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.366 0.500 3.847 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.934 0.897 -0.073 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.620 2.918 3.594 1.00 0.00 H new ATOM 658 N ASN A 397 -18.345 -4.104 3.648 1.00 0.00 N ATOM 659 CA ASN A 397 -18.903 -5.450 3.730 1.00 0.00 C ATOM 660 C ASN A 397 -20.398 -5.449 3.423 1.00 0.00 C ATOM 661 O ASN A 397 -21.074 -4.434 3.586 1.00 0.00 O ATOM 662 CB ASN A 397 -18.653 -6.040 5.119 1.00 0.00 C ATOM 663 CG ASN A 397 -19.217 -7.440 5.268 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.838 -8.355 4.535 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.128 -7.616 6.218 1.00 0.00 N ATOM 0 H ASN A 397 -18.328 -3.607 4.539 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.405 -6.067 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.581 -6.062 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.100 -5.390 5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.542 -8.537 6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.413 -6.831 6.803 1.00 0.00 H new ATOM 672 N ASP A 398 -20.901 -6.598 2.976 1.00 0.00 N ATOM 673 CA ASP A 398 -22.314 -6.746 2.640 1.00 0.00 C ATOM 674 C ASP A 398 -22.704 -5.774 1.530 1.00 0.00 C ATOM 675 O ASP A 398 -23.833 -5.285 1.477 1.00 0.00 O ATOM 676 CB ASP A 398 -23.183 -6.516 3.881 1.00 0.00 C ATOM 677 CG ASP A 398 -24.640 -6.882 3.656 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.970 -7.362 2.551 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.447 -6.693 4.589 1.00 0.00 O ATOM 0 H ASP A 398 -20.347 -7.443 2.838 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.480 -7.762 2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.789 -7.105 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.118 -5.469 4.176 1.00 0.00 H new ATOM 684 N ALA A 399 -21.756 -5.506 0.641 1.00 0.00 N ATOM 685 CA ALA A 399 -21.985 -4.606 -0.480 1.00 0.00 C ATOM 686 C ALA A 399 -22.619 -5.351 -1.648 1.00 0.00 C ATOM 687 O ALA A 399 -22.552 -6.579 -1.715 1.00 0.00 O ATOM 688 CB ALA A 399 -20.677 -3.954 -0.907 1.00 0.00 C ATOM 0 H ALA A 399 -20.817 -5.902 0.676 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.675 -3.825 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.862 -3.283 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.264 -3.387 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.968 -4.725 -1.208 1.00 0.00 H new ATOM 694 N GLU A 400 -23.224 -4.607 -2.570 1.00 0.00 N ATOM 695 CA GLU A 400 -23.858 -5.205 -3.739 1.00 0.00 C ATOM 696 C GLU A 400 -22.889 -6.160 -4.427 1.00 0.00 C ATOM 697 O GLU A 400 -23.297 -7.116 -5.086 1.00 0.00 O ATOM 698 CB GLU A 400 -24.312 -4.116 -4.715 1.00 0.00 C ATOM 699 CG GLU A 400 -23.183 -3.213 -5.185 1.00 0.00 C ATOM 700 CD GLU A 400 -23.661 -2.127 -6.130 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.209 -2.469 -7.198 1.00 0.00 O ATOM 702 OE2 GLU A 400 -23.487 -0.935 -5.801 1.00 0.00 O ATOM 0 H GLU A 400 -23.288 -3.590 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.735 -5.766 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.775 -4.587 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.078 -3.507 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -22.706 -2.753 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -22.424 -3.816 -5.684 1.00 0.00 H new ATOM 709 N ASN A 401 -21.600 -5.888 -4.250 1.00 0.00 N ATOM 710 CA ASN A 401 -20.546 -6.707 -4.831 1.00 0.00 C ATOM 711 C ASN A 401 -19.190 -6.307 -4.258 1.00 0.00 C ATOM 712 O ASN A 401 -18.206 -6.188 -4.990 1.00 0.00 O ATOM 713 CB ASN A 401 -20.543 -6.566 -6.357 1.00 0.00 C ATOM 714 CG ASN A 401 -20.303 -5.140 -6.831 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.215 -4.195 -5.898 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.204 -4.888 -8.032 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.260 -5.098 -3.703 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.736 -7.750 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -19.772 -7.214 -6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.498 -6.915 -6.749 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.277 -5.639 -8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.049 -3.928 -8.341 1.00 0.00 H new ATOM 723 N LYS A 402 -19.158 -6.090 -2.941 1.00 0.00 N ATOM 724 CA LYS A 402 -17.938 -5.686 -2.245 1.00 0.00 C ATOM 725 C LYS A 402 -17.494 -4.303 -2.711 1.00 0.00 C ATOM 726 O LYS A 402 -17.394 -4.047 -3.910 1.00 0.00 O ATOM 727 CB LYS A 402 -16.818 -6.704 -2.481 1.00 0.00 C ATOM 728 CG LYS A 402 -17.137 -8.099 -1.962 1.00 0.00 C ATOM 729 CD LYS A 402 -17.344 -8.102 -0.455 1.00 0.00 C ATOM 730 CE LYS A 402 -17.609 -9.504 0.069 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.826 -10.106 -0.541 1.00 0.00 N ATOM 0 H LYS A 402 -19.971 -6.189 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.152 -5.647 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.612 -6.762 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.908 -6.347 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.034 -8.474 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.324 -8.778 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.462 -7.690 0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.182 -7.453 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -16.747 -10.138 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.725 -9.470 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.087 -10.966 -0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.609 -9.423 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.633 -10.350 -1.533 1.00 0.00 H new ATOM 745 N LYS A 403 -17.235 -3.404 -1.763 1.00 0.00 N ATOM 746 CA LYS A 403 -16.815 -2.051 -2.117 1.00 0.00 C ATOM 747 C LYS A 403 -15.524 -1.649 -1.411 1.00 0.00 C ATOM 748 O LYS A 403 -15.269 -2.046 -0.277 1.00 0.00 O ATOM 749 CB LYS A 403 -17.914 -1.037 -1.795 1.00 0.00 C ATOM 750 CG LYS A 403 -19.217 -1.284 -2.540 1.00 0.00 C ATOM 751 CD LYS A 403 -20.205 -0.143 -2.336 1.00 0.00 C ATOM 752 CE LYS A 403 -20.483 0.106 -0.861 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.467 1.205 -0.659 1.00 0.00 N ATOM 0 H LYS A 403 -17.307 -3.583 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.628 -2.051 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.110 -1.057 -0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.554 -0.037 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.012 -1.402 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.662 -2.217 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.810 0.766 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.139 -0.375 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.861 -0.808 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.551 0.355 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.629 1.343 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.096 2.084 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.365 0.957 -1.122 1.00 0.00 H new ATOM 767 N CYS A 404 -14.724 -0.841 -2.100 1.00 0.00 N ATOM 768 CA CYS A 404 -13.459 -0.349 -1.568 1.00 0.00 C ATOM 769 C CYS A 404 -13.211 1.068 -2.077 1.00 0.00 C ATOM 770 O CYS A 404 -12.357 1.290 -2.930 1.00 0.00 O ATOM 771 CB CYS A 404 -12.302 -1.264 -1.980 1.00 0.00 C ATOM 772 SG CYS A 404 -10.685 -0.761 -1.306 1.00 0.00 S ATOM 0 H CYS A 404 -14.935 -0.510 -3.041 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.516 -0.342 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.521 -2.280 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.240 -1.287 -3.068 1.00 0.00 H new ATOM 777 N THR A 405 -13.993 2.015 -1.567 1.00 0.00 N ATOM 778 CA THR A 405 -13.890 3.412 -1.988 1.00 0.00 C ATOM 779 C THR A 405 -12.745 4.145 -1.292 1.00 0.00 C ATOM 780 O THR A 405 -12.493 3.939 -0.106 1.00 0.00 O ATOM 781 CB THR A 405 -15.203 4.171 -1.724 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.488 4.185 -0.321 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.358 3.524 -2.474 1.00 0.00 C ATOM 0 H THR A 405 -14.707 1.841 -0.860 1.00 0.00 H new ATOM 0 HA THR A 405 -13.687 3.391 -3.059 1.00 0.00 H new ATOM 0 HB THR A 405 -15.084 5.195 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.040 3.409 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.276 4.076 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 405 -16.151 3.540 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.475 2.492 -2.142 1.00 0.00 H new ATOM 791 N LEU A 406 -12.067 5.014 -2.040 1.00 0.00 N ATOM 792 CA LEU A 406 -10.960 5.795 -1.502 1.00 0.00 C ATOM 793 C LEU A 406 -11.477 6.831 -0.513 1.00 0.00 C ATOM 794 O LEU A 406 -12.543 7.416 -0.706 1.00 0.00 O ATOM 795 CB LEU A 406 -10.180 6.470 -2.636 1.00 0.00 C ATOM 796 CG LEU A 406 -8.879 7.182 -2.233 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.168 8.545 -1.626 1.00 0.00 C ATOM 798 CD2 LEU A 406 -8.067 6.329 -1.266 1.00 0.00 C ATOM 0 H LEU A 406 -12.268 5.194 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.282 5.123 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.940 5.714 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.834 7.197 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.289 7.330 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.230 9.027 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.693 9.164 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.789 8.424 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.152 6.856 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.654 6.139 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.814 5.381 -1.741 1.00 0.00 H new ATOM 810 N ASP A 407 -10.714 7.046 0.547 1.00 0.00 N ATOM 811 CA ASP A 407 -11.084 8.006 1.579 1.00 0.00 C ATOM 812 C ASP A 407 -9.990 9.057 1.747 1.00 0.00 C ATOM 813 O ASP A 407 -8.805 8.727 1.786 1.00 0.00 O ATOM 814 CB ASP A 407 -11.344 7.277 2.900 1.00 0.00 C ATOM 815 CG ASP A 407 -11.769 8.213 4.016 1.00 0.00 C ATOM 816 OD1 ASP A 407 -10.972 9.098 4.388 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.901 8.058 4.519 1.00 0.00 O ATOM 0 H ASP A 407 -9.830 6.567 0.717 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.999 8.516 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.119 6.525 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.440 6.747 3.201 1.00 0.00 H new ATOM 822 N LYS A 408 -10.394 10.322 1.827 1.00 0.00 N ATOM 823 CA LYS A 408 -9.445 11.422 1.969 1.00 0.00 C ATOM 824 C LYS A 408 -8.672 11.337 3.283 1.00 0.00 C ATOM 825 O LYS A 408 -7.444 11.387 3.287 1.00 0.00 O ATOM 826 CB LYS A 408 -10.171 12.766 1.892 1.00 0.00 C ATOM 827 CG LYS A 408 -10.958 12.968 0.605 1.00 0.00 C ATOM 828 CD LYS A 408 -10.053 13.036 -0.619 1.00 0.00 C ATOM 829 CE LYS A 408 -9.255 14.333 -0.669 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.276 14.441 0.449 1.00 0.00 N ATOM 0 H LYS A 408 -11.372 10.611 1.796 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.733 11.342 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.851 12.850 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.440 13.569 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.669 12.151 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.539 13.888 0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.367 12.189 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.657 12.947 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -8.725 14.394 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -9.940 15.180 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -7.421 14.929 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -8.700 14.980 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.023 13.489 0.782 1.00 0.00 H new ATOM 844 N GLU A 409 -9.397 11.217 4.393 1.00 0.00 N ATOM 845 CA GLU A 409 -8.772 11.139 5.711 1.00 0.00 C ATOM 846 C GLU A 409 -7.723 10.034 5.757 1.00 0.00 C ATOM 847 O GLU A 409 -6.583 10.263 6.164 1.00 0.00 O ATOM 848 CB GLU A 409 -9.834 10.895 6.786 1.00 0.00 C ATOM 849 CG GLU A 409 -10.879 11.998 6.879 1.00 0.00 C ATOM 850 CD GLU A 409 -10.293 13.332 7.304 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.447 13.875 6.564 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.683 13.833 8.380 1.00 0.00 O ATOM 0 H GLU A 409 -10.416 11.172 4.406 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.276 12.090 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.335 9.949 6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.342 10.791 7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.366 12.113 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.650 11.702 7.591 1.00 0.00 H new ATOM 859 N GLU A 410 -8.113 8.837 5.329 1.00 0.00 N ATOM 860 CA GLU A 410 -7.200 7.701 5.314 1.00 0.00 C ATOM 861 C GLU A 410 -6.027 7.983 4.385 1.00 0.00 C ATOM 862 O GLU A 410 -4.875 7.714 4.722 1.00 0.00 O ATOM 863 CB GLU A 410 -7.931 6.433 4.870 1.00 0.00 C ATOM 864 CG GLU A 410 -9.117 6.068 5.752 1.00 0.00 C ATOM 865 CD GLU A 410 -8.713 5.725 7.174 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.167 6.608 7.869 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.944 4.571 7.594 1.00 0.00 O ATOM 0 H GLU A 410 -9.052 8.630 4.989 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.821 7.547 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.279 6.565 3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.226 5.602 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.819 6.901 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.641 5.219 5.314 1.00 0.00 H new ATOM 874 N ALA A 411 -6.332 8.535 3.215 1.00 0.00 N ATOM 875 CA ALA A 411 -5.310 8.869 2.232 1.00 0.00 C ATOM 876 C ALA A 411 -4.261 9.793 2.833 1.00 0.00 C ATOM 877 O ALA A 411 -3.070 9.663 2.551 1.00 0.00 O ATOM 878 CB ALA A 411 -5.946 9.514 1.009 1.00 0.00 C ATOM 0 H ALA A 411 -7.283 8.761 2.925 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.816 7.947 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.171 9.759 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.658 8.821 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.465 10.425 1.307 1.00 0.00 H new ATOM 884 N LYS A 412 -4.710 10.721 3.668 1.00 0.00 N ATOM 885 CA LYS A 412 -3.812 11.664 4.320 1.00 0.00 C ATOM 886 C LYS A 412 -2.808 10.925 5.197 1.00 0.00 C ATOM 887 O LYS A 412 -1.603 11.161 5.113 1.00 0.00 O ATOM 888 CB LYS A 412 -4.613 12.657 5.162 1.00 0.00 C ATOM 889 CG LYS A 412 -5.555 13.528 4.346 1.00 0.00 C ATOM 890 CD LYS A 412 -6.433 14.395 5.235 1.00 0.00 C ATOM 891 CE LYS A 412 -5.609 15.364 6.070 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.798 16.282 5.220 1.00 0.00 N ATOM 0 H LYS A 412 -5.694 10.841 3.910 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.266 12.211 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.192 12.107 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -3.921 13.298 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -4.975 14.164 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.184 12.896 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.136 14.954 4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.024 13.759 5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.273 15.950 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.948 14.803 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.428 17.059 5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.005 15.756 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.395 16.672 4.463 1.00 0.00 H new