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 HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 405 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 377 THR OG1 : rot 171:sc= 1.02 USER MOD Set 2.2: A 380 SER OG : rot 100:sc= 1.09 USER MOD Single : A 382 ASN :FLIP amide:sc= -2.38 F(o=-7.3!,f=-2.4) USER MOD Single : A 383 LYS NZ :NH3+ 167:sc= -0.0275 (180deg=-0.227) USER MOD Single : A 384 LYS NZ :NH3+ -120:sc= -0.0224 (180deg=-1.96!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.406 K(o=0.41,f=-4!) USER MOD Single : A 390 LYS NZ :NH3+ -169:sc= -0.014 (180deg=-0.163) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -144:sc= 0.348 (180deg=0.0155) USER MOD Single : A 397 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.83) USER MOD Single : A 401 ASN : amide:sc= -0.976 X(o=-0.98,f=-1.1) USER MOD Single : A 402 LYS NZ :NH3+ -163:sc= -0.0531 (180deg=-0.311) USER MOD Single : A 403 LYS NZ :NH3+ -166:sc= -0.0397 (180deg=-0.247) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.391 5.363 -3.429 1.00 0.00 N ATOM 340 CA GLU A 376 -4.330 6.125 -2.614 1.00 0.00 C ATOM 341 C GLU A 376 -5.132 7.124 -3.430 1.00 0.00 C ATOM 342 O GLU A 376 -5.158 8.320 -3.137 1.00 0.00 O ATOM 343 CB GLU A 376 -3.610 6.838 -1.478 1.00 0.00 C ATOM 344 CG GLU A 376 -2.268 7.448 -1.864 1.00 0.00 C ATOM 345 CD GLU A 376 -2.390 8.556 -2.892 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.993 9.601 -2.570 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.881 8.379 -4.019 1.00 0.00 O ATOM 0 HA GLU A 376 -5.033 5.404 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.256 7.627 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.452 6.130 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.785 7.842 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.620 6.665 -2.258 1.00 0.00 H new ATOM 354 N THR A 377 -5.808 6.611 -4.429 1.00 0.00 N ATOM 355 CA THR A 377 -6.651 7.426 -5.285 1.00 0.00 C ATOM 356 C THR A 377 -8.016 6.784 -5.443 1.00 0.00 C ATOM 357 O THR A 377 -8.131 5.561 -5.520 1.00 0.00 O ATOM 358 CB THR A 377 -6.034 7.642 -6.676 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.835 6.381 -7.328 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.709 8.381 -6.572 1.00 0.00 C ATOM 0 H THR A 377 -5.793 5.621 -4.675 1.00 0.00 H new ATOM 0 HA THR A 377 -6.746 8.398 -4.802 1.00 0.00 H new ATOM 0 HB THR A 377 -6.724 8.248 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.580 6.532 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.292 8.522 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 377 -4.870 9.353 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.014 7.799 -5.967 1.00 0.00 H new ATOM 368 N GLU A 378 -9.045 7.615 -5.479 1.00 0.00 N ATOM 369 CA GLU A 378 -10.410 7.127 -5.617 1.00 0.00 C ATOM 370 C GLU A 378 -10.526 6.205 -6.818 1.00 0.00 C ATOM 371 O GLU A 378 -11.239 5.203 -6.786 1.00 0.00 O ATOM 372 CB GLU A 378 -11.383 8.295 -5.769 1.00 0.00 C ATOM 373 CG GLU A 378 -12.838 7.864 -5.850 1.00 0.00 C ATOM 374 CD GLU A 378 -13.789 9.031 -6.036 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.312 10.185 -6.087 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.011 8.791 -6.130 1.00 0.00 O ATOM 0 H GLU A 378 -8.963 8.630 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.664 6.569 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.259 8.973 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.128 8.856 -6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -12.960 7.167 -6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.104 7.326 -4.940 1.00 0.00 H new ATOM 383 N GLY A 379 -9.825 6.566 -7.881 1.00 0.00 N ATOM 384 CA GLY A 379 -9.858 5.782 -9.096 1.00 0.00 C ATOM 385 C GLY A 379 -9.276 4.394 -8.943 1.00 0.00 C ATOM 386 O GLY A 379 -9.753 3.450 -9.575 1.00 0.00 O ATOM 0 H GLY A 379 -9.230 7.394 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -10.891 5.698 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.309 6.312 -9.874 1.00 0.00 H new ATOM 390 N SER A 380 -8.242 4.255 -8.122 1.00 0.00 N ATOM 391 CA SER A 380 -7.611 2.957 -7.928 1.00 0.00 C ATOM 392 C SER A 380 -8.425 2.067 -6.995 1.00 0.00 C ATOM 393 O SER A 380 -8.639 0.891 -7.275 1.00 0.00 O ATOM 394 CB SER A 380 -6.203 3.134 -7.377 1.00 0.00 C ATOM 395 OG SER A 380 -5.389 3.869 -8.276 1.00 0.00 O ATOM 0 H SER A 380 -7.827 5.017 -7.585 1.00 0.00 H new ATOM 0 HA SER A 380 -7.562 2.467 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.247 3.650 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.756 2.157 -7.193 1.00 0.00 H new ATOM 0 HG SER A 380 -5.329 4.800 -7.976 1.00 0.00 H new ATOM 401 N CYS A 381 -8.859 2.633 -5.880 1.00 0.00 N ATOM 402 CA CYS A 381 -9.625 1.891 -4.880 1.00 0.00 C ATOM 403 C CYS A 381 -10.882 1.243 -5.455 1.00 0.00 C ATOM 404 O CYS A 381 -11.146 0.066 -5.208 1.00 0.00 O ATOM 405 CB CYS A 381 -10.000 2.820 -3.732 1.00 0.00 C ATOM 406 SG CYS A 381 -8.564 3.526 -2.866 1.00 0.00 S ATOM 0 H CYS A 381 -8.694 3.611 -5.640 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.988 1.082 -4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.615 3.632 -4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.611 2.271 -3.016 1.00 0.00 H new ATOM 411 N ASN A 382 -11.662 2.013 -6.201 1.00 0.00 N ATOM 412 CA ASN A 382 -12.901 1.508 -6.789 1.00 0.00 C ATOM 413 C ASN A 382 -12.651 0.256 -7.624 1.00 0.00 C ATOM 414 O ASN A 382 -13.569 -0.523 -7.880 1.00 0.00 O ATOM 415 CB ASN A 382 -13.554 2.581 -7.667 1.00 0.00 C ATOM 416 CG ASN A 382 -13.791 3.889 -6.935 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.422 3.942 -5.661 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.302 4.849 -7.513 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.461 2.990 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.570 1.251 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.920 2.767 -8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.506 2.205 -8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.572 4.769 -8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.455 5.724 -7.011 1.00 0.00 H new ATOM 425 N LYS A 383 -11.414 0.085 -8.069 1.00 0.00 N ATOM 426 CA LYS A 383 -11.050 -1.052 -8.902 1.00 0.00 C ATOM 427 C LYS A 383 -10.502 -2.215 -8.077 1.00 0.00 C ATOM 428 O LYS A 383 -10.662 -3.378 -8.448 1.00 0.00 O ATOM 429 CB LYS A 383 -10.017 -0.605 -9.936 1.00 0.00 C ATOM 430 CG LYS A 383 -10.400 0.688 -10.641 1.00 0.00 C ATOM 431 CD LYS A 383 -11.694 0.535 -11.425 1.00 0.00 C ATOM 432 CE LYS A 383 -12.075 1.827 -12.130 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.031 2.262 -13.097 1.00 0.00 N ATOM 0 H LYS A 383 -10.643 0.722 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.950 -1.410 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.053 -0.472 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.890 -1.393 -10.678 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.511 1.485 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.598 0.987 -11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.583 -0.263 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.496 0.237 -10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.020 1.689 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.233 2.611 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.415 3.010 -13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.208 2.628 -12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.740 1.452 -13.681 1.00 0.00 H new ATOM 447 N LYS A 384 -9.843 -1.895 -6.969 1.00 0.00 N ATOM 448 CA LYS A 384 -9.256 -2.906 -6.105 1.00 0.00 C ATOM 449 C LYS A 384 -10.318 -3.727 -5.382 1.00 0.00 C ATOM 450 O LYS A 384 -11.232 -3.179 -4.767 1.00 0.00 O ATOM 451 CB LYS A 384 -8.332 -2.226 -5.098 1.00 0.00 C ATOM 452 CG LYS A 384 -6.935 -1.909 -5.631 1.00 0.00 C ATOM 453 CD LYS A 384 -6.942 -1.357 -7.051 1.00 0.00 C ATOM 454 CE LYS A 384 -6.792 -2.458 -8.094 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.805 -1.913 -9.480 1.00 0.00 N ATOM 0 H LYS A 384 -9.703 -0.937 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.687 -3.599 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.799 -1.299 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.236 -2.867 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.457 -1.186 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.329 -2.815 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.873 -0.817 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.131 -0.638 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.859 -2.995 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.601 -3.180 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.598 -2.328 -10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.915 -0.879 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.911 -2.150 -9.955 1.00 0.00 H new ATOM 469 N ASP A 385 -10.177 -5.049 -5.454 1.00 0.00 N ATOM 470 CA ASP A 385 -11.109 -5.958 -4.798 1.00 0.00 C ATOM 471 C ASP A 385 -10.857 -5.977 -3.295 1.00 0.00 C ATOM 472 O ASP A 385 -10.073 -5.182 -2.788 1.00 0.00 O ATOM 473 CB ASP A 385 -10.971 -7.370 -5.372 1.00 0.00 C ATOM 474 CG ASP A 385 -11.255 -7.425 -6.861 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.559 -6.366 -7.449 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.173 -8.529 -7.440 1.00 0.00 O ATOM 0 H ASP A 385 -9.424 -5.513 -5.962 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.124 -5.605 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.962 -7.737 -5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.656 -8.039 -4.850 1.00 0.00 H new ATOM 481 N GLN A 386 -11.518 -6.889 -2.589 1.00 0.00 N ATOM 482 CA GLN A 386 -11.357 -6.998 -1.141 1.00 0.00 C ATOM 483 C GLN A 386 -9.882 -7.031 -0.748 1.00 0.00 C ATOM 484 O GLN A 386 -9.412 -6.186 0.015 1.00 0.00 O ATOM 485 CB GLN A 386 -12.056 -8.257 -0.625 1.00 0.00 C ATOM 486 CG GLN A 386 -11.903 -8.469 0.875 1.00 0.00 C ATOM 487 CD GLN A 386 -12.613 -9.716 1.364 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.317 -10.828 0.925 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.558 -9.537 2.280 1.00 0.00 N ATOM 0 H GLN A 386 -12.169 -7.562 -2.994 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.813 -6.118 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.117 -8.199 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.656 -9.125 -1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.844 -8.538 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.297 -7.601 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.771 -8.598 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.071 -10.339 2.647 1.00 0.00 H new ATOM 498 N ASN A 387 -9.162 -8.011 -1.275 1.00 0.00 N ATOM 499 CA ASN A 387 -7.749 -8.169 -0.988 1.00 0.00 C ATOM 500 C ASN A 387 -6.931 -7.006 -1.541 1.00 0.00 C ATOM 501 O ASN A 387 -5.885 -6.655 -0.994 1.00 0.00 O ATOM 502 CB ASN A 387 -7.255 -9.485 -1.582 1.00 0.00 C ATOM 503 CG ASN A 387 -7.531 -9.592 -3.068 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.680 -9.521 -3.506 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.478 -9.771 -3.854 1.00 0.00 N ATOM 0 H ASN A 387 -9.541 -8.714 -1.910 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.619 -8.179 0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.183 -9.579 -1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.736 -10.316 -1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.603 -9.855 -4.863 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.543 -9.824 -3.450 1.00 0.00 H new ATOM 512 N GLU A 388 -7.406 -6.422 -2.634 1.00 0.00 N ATOM 513 CA GLU A 388 -6.713 -5.309 -3.271 1.00 0.00 C ATOM 514 C GLU A 388 -7.034 -3.985 -2.589 1.00 0.00 C ATOM 515 O GLU A 388 -6.329 -2.994 -2.785 1.00 0.00 O ATOM 516 CB GLU A 388 -7.070 -5.247 -4.756 1.00 0.00 C ATOM 517 CG GLU A 388 -6.661 -6.489 -5.531 1.00 0.00 C ATOM 518 CD GLU A 388 -6.994 -6.395 -7.007 1.00 0.00 C ATOM 519 OE1 GLU A 388 -8.187 -6.236 -7.339 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.060 -6.483 -7.833 1.00 0.00 O ATOM 0 H GLU A 388 -8.270 -6.701 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.641 -5.479 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.146 -5.103 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.589 -4.376 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.589 -6.648 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.161 -7.359 -5.105 1.00 0.00 H new ATOM 527 N CYS A 389 -8.096 -3.965 -1.787 1.00 0.00 N ATOM 528 CA CYS A 389 -8.490 -2.749 -1.086 1.00 0.00 C ATOM 529 C CYS A 389 -7.342 -2.292 -0.194 1.00 0.00 C ATOM 530 O CYS A 389 -7.119 -2.837 0.887 1.00 0.00 O ATOM 531 CB CYS A 389 -9.759 -2.991 -0.264 1.00 0.00 C ATOM 532 SG CYS A 389 -10.639 -1.469 0.228 1.00 0.00 S ATOM 0 H CYS A 389 -8.694 -4.771 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.710 -1.966 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.438 -3.618 -0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.495 -3.550 0.634 1.00 0.00 H new ATOM 537 N LYS A 390 -6.595 -1.310 -0.684 1.00 0.00 N ATOM 538 CA LYS A 390 -5.435 -0.784 0.024 1.00 0.00 C ATOM 539 C LYS A 390 -5.826 0.017 1.262 1.00 0.00 C ATOM 540 O LYS A 390 -6.976 0.430 1.413 1.00 0.00 O ATOM 541 CB LYS A 390 -4.607 0.067 -0.931 1.00 0.00 C ATOM 542 CG LYS A 390 -4.128 -0.706 -2.151 1.00 0.00 C ATOM 543 CD LYS A 390 -3.344 0.179 -3.105 1.00 0.00 C ATOM 544 CE LYS A 390 -2.925 -0.586 -4.351 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.056 -1.750 -4.024 1.00 0.00 N ATOM 0 H LYS A 390 -6.776 -0.857 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.841 -1.628 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.202 0.920 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.744 0.466 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.503 -1.540 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.986 -1.132 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.952 1.038 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.460 0.568 -2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.813 -0.933 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.394 0.084 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.643 -2.131 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.294 -1.446 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.624 -2.487 -3.560 1.00 0.00 H new ATOM 559 N SER A 391 -4.852 0.216 2.152 1.00 0.00 N ATOM 560 CA SER A 391 -5.071 0.953 3.397 1.00 0.00 C ATOM 561 C SER A 391 -5.773 2.290 3.150 1.00 0.00 C ATOM 562 O SER A 391 -6.788 2.579 3.784 1.00 0.00 O ATOM 563 CB SER A 391 -3.742 1.180 4.122 1.00 0.00 C ATOM 564 OG SER A 391 -3.930 1.921 5.315 1.00 0.00 O ATOM 0 H SER A 391 -3.898 -0.126 2.032 1.00 0.00 H new ATOM 0 HA SER A 391 -5.724 0.348 4.026 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.283 0.219 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.053 1.711 3.466 1.00 0.00 H new ATOM 0 HG SER A 391 -3.066 2.051 5.759 1.00 0.00 H new ATOM 570 N PRO A 392 -5.265 3.127 2.219 1.00 0.00 N ATOM 571 CA PRO A 392 -5.881 4.419 1.907 1.00 0.00 C ATOM 572 C PRO A 392 -7.353 4.262 1.553 1.00 0.00 C ATOM 573 O PRO A 392 -8.173 5.147 1.808 1.00 0.00 O ATOM 574 CB PRO A 392 -5.089 4.902 0.684 1.00 0.00 C ATOM 575 CG PRO A 392 -4.398 3.693 0.166 1.00 0.00 C ATOM 576 CD PRO A 392 -4.075 2.902 1.382 1.00 0.00 C ATOM 0 HA PRO A 392 -5.849 5.111 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.750 5.331 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.374 5.677 0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.037 3.131 -0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.497 3.957 -0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.930 1.846 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.163 3.252 1.866 1.00 0.00 H new ATOM 584 N CYS A 393 -7.668 3.123 0.953 1.00 0.00 N ATOM 585 CA CYS A 393 -9.027 2.817 0.545 1.00 0.00 C ATOM 586 C CYS A 393 -9.877 2.377 1.731 1.00 0.00 C ATOM 587 O CYS A 393 -9.375 1.784 2.687 1.00 0.00 O ATOM 588 CB CYS A 393 -9.023 1.712 -0.503 1.00 0.00 C ATOM 589 SG CYS A 393 -7.814 1.953 -1.842 1.00 0.00 S ATOM 0 H CYS A 393 -6.992 2.391 0.737 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.458 3.726 0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.818 0.761 -0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.019 1.637 -0.938 1.00 0.00 H new ATOM 594 N LYS A 394 -11.170 2.653 1.646 1.00 0.00 N ATOM 595 CA LYS A 394 -12.111 2.271 2.690 1.00 0.00 C ATOM 596 C LYS A 394 -12.863 1.016 2.273 1.00 0.00 C ATOM 597 O LYS A 394 -13.507 0.985 1.224 1.00 0.00 O ATOM 598 CB LYS A 394 -13.096 3.407 2.970 1.00 0.00 C ATOM 599 CG LYS A 394 -14.147 3.057 4.013 1.00 0.00 C ATOM 600 CD LYS A 394 -15.089 4.222 4.278 1.00 0.00 C ATOM 601 CE LYS A 394 -14.359 5.406 4.892 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.280 6.541 5.178 1.00 0.00 N ATOM 0 H LYS A 394 -11.594 3.144 0.859 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.554 2.067 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.541 4.284 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.595 3.681 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.721 2.195 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.655 2.768 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.560 4.529 3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.887 3.900 4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.872 5.093 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.573 5.739 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.788 7.440 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.114 6.476 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.582 6.501 6.172 1.00 0.00 H new ATOM 616 N TRP A 395 -12.769 -0.021 3.093 1.00 0.00 N ATOM 617 CA TRP A 395 -13.433 -1.280 2.796 1.00 0.00 C ATOM 618 C TRP A 395 -14.919 -1.224 3.138 1.00 0.00 C ATOM 619 O TRP A 395 -15.311 -0.692 4.176 1.00 0.00 O ATOM 620 CB TRP A 395 -12.764 -2.427 3.552 1.00 0.00 C ATOM 621 CG TRP A 395 -13.386 -3.761 3.273 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.783 -4.685 4.195 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.685 -4.320 1.986 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.313 -5.783 3.565 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.264 -5.585 2.210 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.522 -3.878 0.665 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.681 -6.407 1.168 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.937 -4.699 -0.366 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.510 -5.949 -0.110 1.00 0.00 C ATOM 0 H TRP A 395 -12.241 -0.015 3.966 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.341 -1.456 1.724 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.708 -2.463 3.284 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.815 -2.227 4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.693 -4.569 5.265 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.683 -6.612 4.030 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.081 -2.914 0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.124 -7.373 1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.817 -4.370 -1.388 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.824 -6.566 -0.939 1.00 0.00 H new ATOM 640 N HIS A 396 -15.739 -1.790 2.257 1.00 0.00 N ATOM 641 CA HIS A 396 -17.185 -1.824 2.460 1.00 0.00 C ATOM 642 C HIS A 396 -17.693 -3.262 2.434 1.00 0.00 C ATOM 643 O HIS A 396 -17.773 -3.887 1.374 1.00 0.00 O ATOM 644 CB HIS A 396 -17.899 -0.999 1.386 1.00 0.00 C ATOM 645 CG HIS A 396 -17.606 0.468 1.464 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.918 1.240 2.564 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.027 1.306 0.572 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.545 2.489 2.344 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.001 2.555 1.142 1.00 0.00 N ATOM 0 H HIS A 396 -15.426 -2.233 1.393 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.402 -1.391 3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.607 -1.368 0.403 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.974 -1.152 1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.655 1.041 -0.407 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.665 3.315 3.030 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.623 3.397 0.708 1.00 0.00 H new ATOM 658 N ASN A 397 -18.030 -3.774 3.616 1.00 0.00 N ATOM 659 CA ASN A 397 -18.527 -5.139 3.759 1.00 0.00 C ATOM 660 C ASN A 397 -20.041 -5.198 3.571 1.00 0.00 C ATOM 661 O ASN A 397 -20.733 -4.188 3.692 1.00 0.00 O ATOM 662 CB ASN A 397 -18.148 -5.699 5.131 1.00 0.00 C ATOM 663 CG ASN A 397 -18.597 -7.136 5.317 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.198 -8.023 4.563 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.427 -7.372 6.325 1.00 0.00 N ATOM 0 H ASN A 397 -17.967 -3.259 4.494 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.064 -5.748 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.067 -5.640 5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.594 -5.079 5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.760 -8.320 6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.732 -6.605 6.925 1.00 0.00 H new ATOM 672 N ASP A 398 -20.540 -6.395 3.272 1.00 0.00 N ATOM 673 CA ASP A 398 -21.969 -6.617 3.063 1.00 0.00 C ATOM 674 C ASP A 398 -22.468 -5.825 1.857 1.00 0.00 C ATOM 675 O ASP A 398 -23.613 -5.375 1.820 1.00 0.00 O ATOM 676 CB ASP A 398 -22.761 -6.232 4.317 1.00 0.00 C ATOM 677 CG ASP A 398 -24.216 -6.663 4.250 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.596 -7.325 3.261 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.972 -6.343 5.191 1.00 0.00 O ATOM 0 H ASP A 398 -19.969 -7.234 3.168 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.123 -7.678 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.292 -6.685 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.713 -5.152 4.454 1.00 0.00 H new ATOM 684 N ALA A 399 -21.600 -5.672 0.864 1.00 0.00 N ATOM 685 CA ALA A 399 -21.946 -4.953 -0.354 1.00 0.00 C ATOM 686 C ALA A 399 -22.488 -5.920 -1.401 1.00 0.00 C ATOM 687 O ALA A 399 -22.114 -7.093 -1.419 1.00 0.00 O ATOM 688 CB ALA A 399 -20.736 -4.200 -0.892 1.00 0.00 C ATOM 0 H ALA A 399 -20.648 -6.038 0.880 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.723 -4.225 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.013 -3.669 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.391 -3.485 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.937 -4.907 -1.114 1.00 0.00 H new ATOM 694 N GLU A 400 -23.373 -5.426 -2.265 1.00 0.00 N ATOM 695 CA GLU A 400 -23.967 -6.253 -3.313 1.00 0.00 C ATOM 696 C GLU A 400 -22.905 -7.103 -4.006 1.00 0.00 C ATOM 697 O GLU A 400 -23.168 -8.237 -4.408 1.00 0.00 O ATOM 698 CB GLU A 400 -24.688 -5.377 -4.341 1.00 0.00 C ATOM 699 CG GLU A 400 -25.873 -4.614 -3.770 1.00 0.00 C ATOM 700 CD GLU A 400 -26.983 -5.528 -3.288 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.739 -6.320 -2.353 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.098 -5.454 -3.847 1.00 0.00 O ATOM 0 H GLU A 400 -23.694 -4.458 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.691 -6.920 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.977 -4.665 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.033 -6.005 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.534 -3.993 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.267 -3.941 -4.532 1.00 0.00 H new ATOM 709 N ASN A 401 -21.704 -6.547 -4.131 1.00 0.00 N ATOM 710 CA ASN A 401 -20.591 -7.246 -4.764 1.00 0.00 C ATOM 711 C ASN A 401 -19.270 -6.749 -4.192 1.00 0.00 C ATOM 712 O ASN A 401 -18.260 -6.684 -4.895 1.00 0.00 O ATOM 713 CB ASN A 401 -20.615 -7.019 -6.275 1.00 0.00 C ATOM 714 CG ASN A 401 -21.927 -7.438 -6.902 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.215 -8.626 -7.040 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.742 -6.455 -7.257 1.00 0.00 N ATOM 0 H ASN A 401 -21.476 -5.609 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.690 -8.313 -4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.436 -5.964 -6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -19.801 -7.578 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -23.652 -6.669 -7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.459 -5.484 -7.123 1.00 0.00 H new ATOM 723 N LYS A 402 -19.299 -6.390 -2.911 1.00 0.00 N ATOM 724 CA LYS A 402 -18.118 -5.881 -2.215 1.00 0.00 C ATOM 725 C LYS A 402 -17.697 -4.534 -2.794 1.00 0.00 C ATOM 726 O LYS A 402 -17.619 -4.371 -4.012 1.00 0.00 O ATOM 727 CB LYS A 402 -16.968 -6.890 -2.298 1.00 0.00 C ATOM 728 CG LYS A 402 -17.280 -8.219 -1.629 1.00 0.00 C ATOM 729 CD LYS A 402 -17.527 -8.045 -0.137 1.00 0.00 C ATOM 730 CE LYS A 402 -17.963 -9.346 0.514 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.250 -9.843 -0.045 1.00 0.00 N ATOM 0 H LYS A 402 -20.135 -6.443 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.371 -5.738 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.725 -7.067 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.081 -6.458 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.158 -8.665 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.451 -8.910 -1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.617 -7.684 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.293 -7.285 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.190 -10.101 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.068 -9.197 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.658 -10.551 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.913 -9.048 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.080 -10.278 -0.974 1.00 0.00 H new ATOM 745 N LYS A 403 -17.449 -3.560 -1.922 1.00 0.00 N ATOM 746 CA LYS A 403 -17.067 -2.226 -2.374 1.00 0.00 C ATOM 747 C LYS A 403 -15.827 -1.695 -1.655 1.00 0.00 C ATOM 748 O LYS A 403 -15.588 -2.000 -0.489 1.00 0.00 O ATOM 749 CB LYS A 403 -18.234 -1.258 -2.182 1.00 0.00 C ATOM 750 CG LYS A 403 -19.432 -1.571 -3.065 1.00 0.00 C ATOM 751 CD LYS A 403 -19.096 -1.405 -4.540 1.00 0.00 C ATOM 752 CE LYS A 403 -20.284 -1.747 -5.425 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.705 -3.167 -5.268 1.00 0.00 N ATOM 0 H LYS A 403 -17.505 -3.668 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.817 -2.304 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.546 -1.280 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.893 -0.244 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.765 -2.592 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.260 -0.913 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.784 -0.378 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.253 -2.047 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.120 -1.092 -5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.026 -1.558 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.348 -3.426 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.867 -3.782 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.194 -3.285 -4.358 1.00 0.00 H new ATOM 767 N CYS A 404 -15.053 -0.887 -2.375 1.00 0.00 N ATOM 768 CA CYS A 404 -13.835 -0.279 -1.844 1.00 0.00 C ATOM 769 C CYS A 404 -13.600 1.069 -2.527 1.00 0.00 C ATOM 770 O CYS A 404 -13.540 1.143 -3.755 1.00 0.00 O ATOM 771 CB CYS A 404 -12.635 -1.210 -2.072 1.00 0.00 C ATOM 772 SG CYS A 404 -11.033 -0.528 -1.537 1.00 0.00 S ATOM 0 H CYS A 404 -15.252 -0.635 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.949 -0.121 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.812 -2.146 -1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.576 -1.452 -3.133 1.00 0.00 H new ATOM 777 N THR A 405 -13.490 2.137 -1.736 1.00 0.00 N ATOM 778 CA THR A 405 -13.288 3.476 -2.291 1.00 0.00 C ATOM 779 C THR A 405 -12.327 4.309 -1.447 1.00 0.00 C ATOM 780 O THR A 405 -12.376 4.285 -0.219 1.00 0.00 O ATOM 781 CB THR A 405 -14.622 4.236 -2.423 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.243 4.365 -1.139 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.564 3.517 -3.377 1.00 0.00 C ATOM 0 H THR A 405 -13.537 2.102 -0.718 1.00 0.00 H new ATOM 0 HA THR A 405 -12.851 3.331 -3.279 1.00 0.00 H new ATOM 0 HB THR A 405 -14.410 5.227 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.089 4.850 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.499 4.073 -3.453 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.102 3.448 -4.362 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.768 2.515 -3.000 1.00 0.00 H new ATOM 791 N LEU A 406 -11.452 5.041 -2.129 1.00 0.00 N ATOM 792 CA LEU A 406 -10.458 5.887 -1.481 1.00 0.00 C ATOM 793 C LEU A 406 -11.105 6.914 -0.563 1.00 0.00 C ATOM 794 O LEU A 406 -12.163 7.465 -0.869 1.00 0.00 O ATOM 795 CB LEU A 406 -9.604 6.585 -2.541 1.00 0.00 C ATOM 796 CG LEU A 406 -8.299 7.217 -2.048 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.550 8.558 -1.384 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.582 6.275 -1.097 1.00 0.00 C ATOM 0 H LEU A 406 -11.413 5.064 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.824 5.251 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.362 5.860 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.207 7.364 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.662 7.391 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.603 8.979 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.014 9.237 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.213 8.422 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.656 6.738 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.222 6.067 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.352 5.343 -1.613 1.00 0.00 H new ATOM 810 N ASP A 407 -10.447 7.164 0.560 1.00 0.00 N ATOM 811 CA ASP A 407 -10.933 8.129 1.541 1.00 0.00 C ATOM 812 C ASP A 407 -9.940 9.279 1.700 1.00 0.00 C ATOM 813 O ASP A 407 -8.729 9.066 1.715 1.00 0.00 O ATOM 814 CB ASP A 407 -11.171 7.440 2.888 1.00 0.00 C ATOM 815 CG ASP A 407 -11.786 8.368 3.918 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.143 9.377 4.272 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.914 8.082 4.372 1.00 0.00 O ATOM 0 H ASP A 407 -9.570 6.710 0.817 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.879 8.538 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.826 6.581 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.224 7.058 3.269 1.00 0.00 H new ATOM 822 N LYS A 408 -10.463 10.497 1.806 1.00 0.00 N ATOM 823 CA LYS A 408 -9.626 11.687 1.952 1.00 0.00 C ATOM 824 C LYS A 408 -8.757 11.618 3.206 1.00 0.00 C ATOM 825 O LYS A 408 -7.541 11.797 3.139 1.00 0.00 O ATOM 826 CB LYS A 408 -10.500 12.941 2.003 1.00 0.00 C ATOM 827 CG LYS A 408 -11.351 13.146 0.761 1.00 0.00 C ATOM 828 CD LYS A 408 -12.226 14.386 0.878 1.00 0.00 C ATOM 829 CE LYS A 408 -11.394 15.655 0.993 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.248 16.868 1.129 1.00 0.00 N ATOM 0 H LYS A 408 -11.465 10.688 1.794 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.966 11.732 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.153 12.882 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.861 13.813 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.705 13.237 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.980 12.270 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.877 14.456 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.872 14.294 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.732 15.578 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.760 15.754 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.644 17.711 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.862 16.956 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.835 16.785 1.983 1.00 0.00 H new ATOM 844 N GLU A 409 -9.392 11.372 4.348 1.00 0.00 N ATOM 845 CA GLU A 409 -8.689 11.294 5.623 1.00 0.00 C ATOM 846 C GLU A 409 -7.678 10.149 5.645 1.00 0.00 C ATOM 847 O GLU A 409 -6.561 10.308 6.135 1.00 0.00 O ATOM 848 CB GLU A 409 -9.701 11.121 6.756 1.00 0.00 C ATOM 849 CG GLU A 409 -9.069 10.937 8.125 1.00 0.00 C ATOM 850 CD GLU A 409 -8.286 12.153 8.586 1.00 0.00 C ATOM 851 OE1 GLU A 409 -7.279 12.497 7.932 1.00 0.00 O ATOM 852 OE2 GLU A 409 -8.682 12.760 9.603 1.00 0.00 O ATOM 0 H GLU A 409 -10.399 11.222 4.416 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.135 12.223 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.354 11.993 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.331 10.258 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.850 10.717 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.405 10.073 8.099 1.00 0.00 H new ATOM 859 N GLU A 410 -8.080 8.996 5.128 1.00 0.00 N ATOM 860 CA GLU A 410 -7.210 7.824 5.104 1.00 0.00 C ATOM 861 C GLU A 410 -5.988 8.049 4.219 1.00 0.00 C ATOM 862 O GLU A 410 -4.867 7.718 4.601 1.00 0.00 O ATOM 863 CB GLU A 410 -7.982 6.596 4.618 1.00 0.00 C ATOM 864 CG GLU A 410 -9.144 6.216 5.518 1.00 0.00 C ATOM 865 CD GLU A 410 -9.874 4.978 5.036 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.223 3.921 4.901 1.00 0.00 O ATOM 867 OE2 GLU A 410 -11.097 5.063 4.800 1.00 0.00 O ATOM 0 H GLU A 410 -9.002 8.845 4.719 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.864 7.653 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.359 6.788 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.297 5.751 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.775 6.045 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.845 7.049 5.571 1.00 0.00 H new ATOM 874 N ALA A 411 -6.211 8.602 3.032 1.00 0.00 N ATOM 875 CA ALA A 411 -5.126 8.856 2.091 1.00 0.00 C ATOM 876 C ALA A 411 -4.102 9.829 2.660 1.00 0.00 C ATOM 877 O ALA A 411 -2.903 9.554 2.647 1.00 0.00 O ATOM 878 CB ALA A 411 -5.682 9.381 0.777 1.00 0.00 C ATOM 0 H ALA A 411 -7.133 8.883 2.698 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.615 7.910 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.862 9.567 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.360 8.643 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.223 10.310 0.956 1.00 0.00 H new ATOM 884 N LYS A 412 -4.576 10.967 3.153 1.00 0.00 N ATOM 885 CA LYS A 412 -3.689 11.975 3.721 1.00 0.00 C ATOM 886 C LYS A 412 -2.929 11.416 4.920 1.00 0.00 C ATOM 887 O LYS A 412 -1.746 11.697 5.102 1.00 0.00 O ATOM 888 CB LYS A 412 -4.480 13.217 4.132 1.00 0.00 C ATOM 889 CG LYS A 412 -5.550 12.944 5.175 1.00 0.00 C ATOM 890 CD LYS A 412 -6.247 14.222 5.610 1.00 0.00 C ATOM 891 CE LYS A 412 -5.277 15.186 6.278 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.949 16.440 6.715 1.00 0.00 N ATOM 0 H LYS A 412 -5.565 11.214 3.171 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.966 12.257 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.789 13.965 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.949 13.647 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.285 12.248 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.099 12.462 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.701 14.703 4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.055 13.980 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -4.819 14.701 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.472 15.429 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.253 17.068 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.364 16.917 5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.700 16.212 7.397 1.00 0.00 H new