USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 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= -2.16! K(o=-2.8!,f=-4.7) USER MOD Set 1.2: A 405 THR OG1 : rot 110:sc= -0.611 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.68 USER MOD Set 2.2: A 380 SER OG : rot 89:sc= 0.776 USER MOD Single : A 382 ASN :FLIP amide:sc= -3.88! C(o=-6.6!,f=-3.9!) 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= 0.134 X(o=0.13,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 166:sc= -0.0571 (180deg=-0.321) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -162:sc= 0.152 (180deg=0.0678) USER MOD Single : A 397 ASN :FLIP amide:sc= -0.332 F(o=-4.1!,f=-0.33) USER MOD Single : A 401 ASN : amide:sc= -1.81 X(o=-1.8,f=-2) USER MOD Single : A 402 LYS NZ :NH3+ 159:sc= -0.0211 (180deg=-0.373) USER MOD Single : A 403 LYS NZ :NH3+ -149:sc= -3.27! (180deg=-5.52!) USER MOD Single : A 408 LYS NZ :NH3+ 169:sc= -0.0123 (180deg=-0.209) USER MOD Single : A 412 LYS NZ :NH3+ -168:sc= -0.0145 (180deg=-0.149) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.626 6.381 -3.998 1.00 0.00 N ATOM 340 CA GLU A 376 -4.687 6.833 -3.113 1.00 0.00 C ATOM 341 C GLU A 376 -5.796 7.568 -3.858 1.00 0.00 C ATOM 342 O GLU A 376 -6.306 8.582 -3.380 1.00 0.00 O ATOM 343 CB GLU A 376 -4.086 7.759 -2.064 1.00 0.00 C ATOM 344 CG GLU A 376 -2.791 7.240 -1.461 1.00 0.00 C ATOM 345 CD GLU A 376 -2.158 8.227 -0.500 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.807 8.575 0.508 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.013 8.655 -0.757 1.00 0.00 O ATOM 0 HA GLU A 376 -5.136 5.953 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -3.901 8.734 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.813 7.910 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.988 6.304 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.086 7.015 -2.262 1.00 0.00 H new ATOM 354 N THR A 377 -6.176 7.053 -5.011 1.00 0.00 N ATOM 355 CA THR A 377 -7.239 7.659 -5.798 1.00 0.00 C ATOM 356 C THR A 377 -8.450 6.741 -5.866 1.00 0.00 C ATOM 357 O THR A 377 -8.314 5.520 -5.925 1.00 0.00 O ATOM 358 CB THR A 377 -6.778 7.994 -7.227 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.312 6.810 -7.885 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.673 9.040 -7.209 1.00 0.00 C ATOM 0 H THR A 377 -5.766 6.216 -5.426 1.00 0.00 H new ATOM 0 HA THR A 377 -7.510 8.588 -5.297 1.00 0.00 H new ATOM 0 HB THR A 377 -7.630 8.399 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.022 7.033 -8.794 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.364 9.260 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.042 9.951 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.821 8.659 -6.646 1.00 0.00 H new ATOM 368 N GLU A 378 -9.635 7.342 -5.855 1.00 0.00 N ATOM 369 CA GLU A 378 -10.878 6.583 -5.915 1.00 0.00 C ATOM 370 C GLU A 378 -10.852 5.637 -7.098 1.00 0.00 C ATOM 371 O GLU A 378 -11.313 4.499 -7.021 1.00 0.00 O ATOM 372 CB GLU A 378 -12.070 7.528 -6.044 1.00 0.00 C ATOM 373 CG GLU A 378 -13.414 6.836 -5.877 1.00 0.00 C ATOM 374 CD GLU A 378 -14.585 7.792 -6.005 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.732 8.410 -7.080 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.356 7.920 -5.030 1.00 0.00 O ATOM 0 H GLU A 378 -9.760 8.353 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.977 6.008 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.981 8.316 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.037 8.010 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.509 6.050 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.450 6.352 -4.901 1.00 0.00 H new ATOM 383 N GLY A 379 -10.309 6.135 -8.193 1.00 0.00 N ATOM 384 CA GLY A 379 -10.219 5.354 -9.406 1.00 0.00 C ATOM 385 C GLY A 379 -9.453 4.061 -9.232 1.00 0.00 C ATOM 386 O GLY A 379 -9.781 3.060 -9.866 1.00 0.00 O ATOM 0 H GLY A 379 -9.924 7.077 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.225 5.127 -9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.737 5.952 -10.180 1.00 0.00 H new ATOM 390 N SER A 380 -8.429 4.068 -8.385 1.00 0.00 N ATOM 391 CA SER A 380 -7.637 2.866 -8.168 1.00 0.00 C ATOM 392 C SER A 380 -8.335 1.903 -7.214 1.00 0.00 C ATOM 393 O SER A 380 -8.399 0.699 -7.460 1.00 0.00 O ATOM 394 CB SER A 380 -6.263 3.233 -7.625 1.00 0.00 C ATOM 395 OG SER A 380 -5.567 4.084 -8.520 1.00 0.00 O ATOM 0 H SER A 380 -8.132 4.881 -7.845 1.00 0.00 H new ATOM 0 HA SER A 380 -7.523 2.364 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.371 3.727 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.682 2.326 -7.456 1.00 0.00 H new ATOM 0 HG SER A 380 -5.787 5.018 -8.321 1.00 0.00 H new ATOM 401 N CYS A 381 -8.843 2.448 -6.117 1.00 0.00 N ATOM 402 CA CYS A 381 -9.517 1.650 -5.096 1.00 0.00 C ATOM 403 C CYS A 381 -10.732 0.906 -5.638 1.00 0.00 C ATOM 404 O CYS A 381 -10.893 -0.289 -5.388 1.00 0.00 O ATOM 405 CB CYS A 381 -9.931 2.548 -3.938 1.00 0.00 C ATOM 406 SG CYS A 381 -8.522 3.302 -3.068 1.00 0.00 S ATOM 0 H CYS A 381 -8.802 3.446 -5.909 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.809 0.895 -4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.581 3.338 -4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.517 1.965 -3.228 1.00 0.00 H new ATOM 411 N ASN A 382 -11.587 1.611 -6.367 1.00 0.00 N ATOM 412 CA ASN A 382 -12.789 1.001 -6.925 1.00 0.00 C ATOM 413 C ASN A 382 -12.431 -0.228 -7.751 1.00 0.00 C ATOM 414 O ASN A 382 -13.215 -1.171 -7.855 1.00 0.00 O ATOM 415 CB ASN A 382 -13.550 2.007 -7.790 1.00 0.00 C ATOM 416 CG ASN A 382 -13.908 3.277 -7.040 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.550 3.341 -5.762 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.505 4.193 -7.604 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.473 2.601 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.429 0.694 -6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.944 2.263 -8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.462 1.541 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.762 4.105 -8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.743 5.040 -7.089 1.00 0.00 H new ATOM 425 N LYS A 383 -11.240 -0.205 -8.340 1.00 0.00 N ATOM 426 CA LYS A 383 -10.770 -1.309 -9.162 1.00 0.00 C ATOM 427 C LYS A 383 -10.210 -2.437 -8.303 1.00 0.00 C ATOM 428 O LYS A 383 -10.339 -3.613 -8.645 1.00 0.00 O ATOM 429 CB LYS A 383 -9.704 -0.815 -10.139 1.00 0.00 C ATOM 430 CG LYS A 383 -10.167 0.352 -10.998 1.00 0.00 C ATOM 431 CD LYS A 383 -11.337 -0.032 -11.891 1.00 0.00 C ATOM 432 CE LYS A 383 -10.954 -1.117 -12.886 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.099 -1.497 -13.760 1.00 0.00 N ATOM 0 H LYS A 383 -10.582 0.570 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.619 -1.701 -9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.819 -0.515 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.407 -1.639 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.458 1.183 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.338 0.701 -11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.166 -0.380 -11.275 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.688 0.848 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.126 -0.768 -13.503 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.601 -1.996 -12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.798 -2.239 -14.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.880 -1.854 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -12.420 -0.664 -14.294 1.00 0.00 H new ATOM 447 N LYS A 384 -9.568 -2.073 -7.197 1.00 0.00 N ATOM 448 CA LYS A 384 -8.972 -3.045 -6.305 1.00 0.00 C ATOM 449 C LYS A 384 -10.004 -3.949 -5.666 1.00 0.00 C ATOM 450 O LYS A 384 -11.159 -3.573 -5.464 1.00 0.00 O ATOM 451 CB LYS A 384 -8.168 -2.343 -5.223 1.00 0.00 C ATOM 452 CG LYS A 384 -6.995 -1.593 -5.786 1.00 0.00 C ATOM 453 CD LYS A 384 -6.067 -2.513 -6.522 1.00 0.00 C ATOM 454 CE LYS A 384 -5.543 -1.820 -7.745 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.196 -1.223 -7.527 1.00 0.00 N ATOM 0 H LYS A 384 -9.450 -1.104 -6.901 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.314 -3.670 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.815 -1.651 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.814 -3.078 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.348 -0.813 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.456 -1.097 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.240 -2.807 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.591 -3.426 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.493 -2.532 -8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.241 -1.037 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -3.878 -0.756 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.246 -0.524 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.522 -1.972 -7.269 1.00 0.00 H new ATOM 469 N ASP A 385 -9.548 -5.136 -5.330 1.00 0.00 N ATOM 470 CA ASP A 385 -10.384 -6.135 -4.676 1.00 0.00 C ATOM 471 C ASP A 385 -10.179 -6.065 -3.170 1.00 0.00 C ATOM 472 O ASP A 385 -9.370 -5.275 -2.693 1.00 0.00 O ATOM 473 CB ASP A 385 -10.057 -7.538 -5.186 1.00 0.00 C ATOM 474 CG ASP A 385 -10.322 -7.691 -6.672 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.490 -7.531 -7.085 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.363 -7.969 -7.420 1.00 0.00 O ATOM 0 H ASP A 385 -8.590 -5.441 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.427 -5.924 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.010 -7.761 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.651 -8.269 -4.637 1.00 0.00 H new ATOM 481 N GLN A 386 -10.905 -6.891 -2.426 1.00 0.00 N ATOM 482 CA GLN A 386 -10.783 -6.905 -0.970 1.00 0.00 C ATOM 483 C GLN A 386 -9.316 -6.968 -0.552 1.00 0.00 C ATOM 484 O GLN A 386 -8.849 -6.152 0.244 1.00 0.00 O ATOM 485 CB GLN A 386 -11.544 -8.099 -0.386 1.00 0.00 C ATOM 486 CG GLN A 386 -11.500 -8.167 1.133 1.00 0.00 C ATOM 487 CD GLN A 386 -12.237 -9.370 1.685 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.906 -10.514 1.374 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.245 -9.118 2.512 1.00 0.00 N ATOM 0 H GLN A 386 -11.581 -7.556 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.216 -5.983 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.584 -8.049 -0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.127 -9.020 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.461 -8.200 1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.936 -7.258 1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.486 -8.154 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.778 -9.888 2.916 1.00 0.00 H new ATOM 498 N ASN A 387 -8.596 -7.935 -1.107 1.00 0.00 N ATOM 499 CA ASN A 387 -7.181 -8.112 -0.807 1.00 0.00 C ATOM 500 C ASN A 387 -6.354 -6.948 -1.348 1.00 0.00 C ATOM 501 O ASN A 387 -5.361 -6.544 -0.742 1.00 0.00 O ATOM 502 CB ASN A 387 -6.678 -9.428 -1.406 1.00 0.00 C ATOM 503 CG ASN A 387 -5.206 -9.659 -1.150 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.756 -9.663 -0.004 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.451 -9.864 -2.218 1.00 0.00 N ATOM 0 H ASN A 387 -8.972 -8.612 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.066 -8.140 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.250 -10.256 -0.987 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.860 -9.427 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.451 -10.035 -2.111 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.869 -9.851 -3.148 1.00 0.00 H new ATOM 512 N GLU A 388 -6.764 -6.424 -2.500 1.00 0.00 N ATOM 513 CA GLU A 388 -6.058 -5.315 -3.135 1.00 0.00 C ATOM 514 C GLU A 388 -6.462 -3.974 -2.539 1.00 0.00 C ATOM 515 O GLU A 388 -5.864 -2.946 -2.857 1.00 0.00 O ATOM 516 CB GLU A 388 -6.320 -5.315 -4.642 1.00 0.00 C ATOM 517 CG GLU A 388 -5.798 -6.553 -5.353 1.00 0.00 C ATOM 518 CD GLU A 388 -6.015 -6.498 -6.853 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.500 -5.556 -7.493 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.698 -7.396 -7.389 1.00 0.00 O ATOM 0 H GLU A 388 -7.583 -6.750 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.993 -5.456 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.393 -5.233 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.857 -4.432 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.733 -6.664 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.294 -7.436 -4.950 1.00 0.00 H new ATOM 527 N CYS A 389 -7.473 -3.980 -1.673 1.00 0.00 N ATOM 528 CA CYS A 389 -7.930 -2.747 -1.047 1.00 0.00 C ATOM 529 C CYS A 389 -6.773 -2.130 -0.269 1.00 0.00 C ATOM 530 O CYS A 389 -6.450 -2.561 0.839 1.00 0.00 O ATOM 531 CB CYS A 389 -9.129 -3.025 -0.134 1.00 0.00 C ATOM 532 SG CYS A 389 -10.168 -1.566 0.205 1.00 0.00 S ATOM 0 H CYS A 389 -7.985 -4.816 -1.393 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.258 -2.042 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.747 -3.798 -0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.765 -3.425 0.812 1.00 0.00 H new ATOM 537 N LYS A 390 -6.125 -1.146 -0.885 1.00 0.00 N ATOM 538 CA LYS A 390 -4.965 -0.489 -0.292 1.00 0.00 C ATOM 539 C LYS A 390 -5.330 0.380 0.908 1.00 0.00 C ATOM 540 O LYS A 390 -6.499 0.694 1.136 1.00 0.00 O ATOM 541 CB LYS A 390 -4.241 0.334 -1.351 1.00 0.00 C ATOM 542 CG LYS A 390 -3.739 -0.505 -2.517 1.00 0.00 C ATOM 543 CD LYS A 390 -2.930 0.324 -3.502 1.00 0.00 C ATOM 544 CE LYS A 390 -1.666 0.879 -2.863 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.794 -0.203 -2.328 1.00 0.00 N ATOM 0 H LYS A 390 -6.386 -0.784 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.302 -1.270 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.915 1.104 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.397 0.847 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.125 -1.322 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.587 -0.956 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.664 -0.290 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.541 1.146 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.112 1.461 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.936 1.560 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.149 0.183 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.212 -0.587 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.709 -0.961 -3.034 1.00 0.00 H new ATOM 559 N SER A 391 -4.308 0.743 1.686 1.00 0.00 N ATOM 560 CA SER A 391 -4.479 1.551 2.882 1.00 0.00 C ATOM 561 C SER A 391 -5.305 2.815 2.620 1.00 0.00 C ATOM 562 O SER A 391 -6.279 3.067 3.331 1.00 0.00 O ATOM 563 CB SER A 391 -3.111 1.918 3.450 1.00 0.00 C ATOM 564 OG SER A 391 -2.358 0.757 3.758 1.00 0.00 O ATOM 0 H SER A 391 -3.340 0.482 1.499 1.00 0.00 H new ATOM 0 HA SER A 391 -5.034 0.956 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.566 2.528 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.237 2.522 4.348 1.00 0.00 H new ATOM 0 HG SER A 391 -1.485 1.019 4.119 1.00 0.00 H new ATOM 570 N PRO A 392 -4.949 3.632 1.604 1.00 0.00 N ATOM 571 CA PRO A 392 -5.693 4.854 1.288 1.00 0.00 C ATOM 572 C PRO A 392 -7.176 4.584 1.100 1.00 0.00 C ATOM 573 O PRO A 392 -8.024 5.410 1.438 1.00 0.00 O ATOM 574 CB PRO A 392 -5.075 5.311 -0.040 1.00 0.00 C ATOM 575 CG PRO A 392 -4.331 4.131 -0.552 1.00 0.00 C ATOM 576 CD PRO A 392 -3.821 3.459 0.672 1.00 0.00 C ATOM 0 HA PRO A 392 -5.625 5.592 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.845 5.627 -0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.410 6.162 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.980 3.471 -1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.516 4.430 -1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.594 2.408 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.908 3.925 1.044 1.00 0.00 H new ATOM 584 N CYS A 393 -7.471 3.424 0.533 1.00 0.00 N ATOM 585 CA CYS A 393 -8.840 3.021 0.261 1.00 0.00 C ATOM 586 C CYS A 393 -9.652 2.843 1.540 1.00 0.00 C ATOM 587 O CYS A 393 -9.310 3.378 2.596 1.00 0.00 O ATOM 588 CB CYS A 393 -8.829 1.715 -0.528 1.00 0.00 C ATOM 589 SG CYS A 393 -7.767 1.759 -2.003 1.00 0.00 S ATOM 0 H CYS A 393 -6.770 2.739 0.250 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.315 3.813 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.494 0.909 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.848 1.476 -0.832 1.00 0.00 H new ATOM 594 N LYS A 394 -10.728 2.075 1.424 1.00 0.00 N ATOM 595 CA LYS A 394 -11.613 1.791 2.543 1.00 0.00 C ATOM 596 C LYS A 394 -12.599 0.705 2.143 1.00 0.00 C ATOM 597 O LYS A 394 -13.463 0.916 1.292 1.00 0.00 O ATOM 598 CB LYS A 394 -12.354 3.058 2.979 1.00 0.00 C ATOM 599 CG LYS A 394 -13.278 2.850 4.169 1.00 0.00 C ATOM 600 CD LYS A 394 -13.916 4.155 4.620 1.00 0.00 C ATOM 601 CE LYS A 394 -14.791 4.760 3.532 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.391 6.055 3.956 1.00 0.00 N ATOM 0 H LYS A 394 -11.011 1.632 0.550 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.020 1.442 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.623 3.827 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.938 3.433 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.058 2.136 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.715 2.415 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.516 3.977 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.136 4.865 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.196 4.913 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.585 4.059 3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.198 6.282 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.717 5.981 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.678 6.808 3.884 1.00 0.00 H new ATOM 616 N TRP A 395 -12.439 -0.466 2.741 1.00 0.00 N ATOM 617 CA TRP A 395 -13.286 -1.605 2.430 1.00 0.00 C ATOM 618 C TRP A 395 -14.722 -1.390 2.898 1.00 0.00 C ATOM 619 O TRP A 395 -14.981 -1.243 4.092 1.00 0.00 O ATOM 620 CB TRP A 395 -12.712 -2.869 3.072 1.00 0.00 C ATOM 621 CG TRP A 395 -13.437 -4.124 2.692 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.986 -5.041 3.542 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.680 -4.608 1.366 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.563 -6.060 2.825 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.388 -5.818 1.488 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.372 -4.133 0.087 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.790 -6.560 0.380 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.771 -4.871 -1.011 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.475 -6.071 -0.858 1.00 0.00 C ATOM 0 H TRP A 395 -11.727 -0.652 3.447 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.305 -1.718 1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.664 -2.966 2.788 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.739 -2.759 4.156 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.969 -4.975 4.620 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.044 -6.866 3.223 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.832 -3.206 -0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.331 -7.488 0.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.536 -4.516 -2.004 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.776 -6.623 -1.736 1.00 0.00 H new ATOM 640 N HIS A 396 -15.657 -1.404 1.949 1.00 0.00 N ATOM 641 CA HIS A 396 -17.071 -1.245 2.269 1.00 0.00 C ATOM 642 C HIS A 396 -17.723 -2.605 2.457 1.00 0.00 C ATOM 643 O HIS A 396 -17.921 -3.352 1.491 1.00 0.00 O ATOM 644 CB HIS A 396 -17.804 -0.468 1.174 1.00 0.00 C ATOM 645 CG HIS A 396 -17.517 0.999 1.179 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.752 1.808 2.270 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.024 1.807 0.213 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.418 3.051 1.976 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.974 3.077 0.733 1.00 0.00 N ATOM 0 H HIS A 396 -15.460 -1.524 0.955 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.141 -0.678 3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.528 -0.879 0.203 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.877 -0.619 1.291 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.725 1.509 -0.781 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.495 3.900 2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.647 3.907 0.238 1.00 0.00 H new ATOM 658 N ASN A 397 -18.051 -2.916 3.707 1.00 0.00 N ATOM 659 CA ASN A 397 -18.680 -4.182 4.048 1.00 0.00 C ATOM 660 C ASN A 397 -20.183 -4.141 3.793 1.00 0.00 C ATOM 661 O ASN A 397 -20.819 -3.094 3.914 1.00 0.00 O ATOM 662 CB ASN A 397 -18.401 -4.549 5.510 1.00 0.00 C ATOM 663 CG ASN A 397 -18.849 -3.484 6.502 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.356 -2.360 6.003 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -18.735 -3.671 7.714 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.889 -2.301 4.505 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.248 -4.949 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.906 -5.486 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.332 -4.723 5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.341 -4.546 8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.034 -2.951 8.372 1.00 0.00 H new ATOM 672 N ASP A 398 -20.738 -5.293 3.436 1.00 0.00 N ATOM 673 CA ASP A 398 -22.164 -5.415 3.160 1.00 0.00 C ATOM 674 C ASP A 398 -22.581 -4.536 1.984 1.00 0.00 C ATOM 675 O ASP A 398 -23.726 -4.089 1.910 1.00 0.00 O ATOM 676 CB ASP A 398 -22.983 -5.055 4.404 1.00 0.00 C ATOM 677 CG ASP A 398 -22.679 -5.963 5.581 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.848 -6.882 5.424 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.274 -5.756 6.659 1.00 0.00 O ATOM 0 H ASP A 398 -20.216 -6.163 3.330 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.362 -6.453 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.778 -4.022 4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.045 -5.116 4.166 1.00 0.00 H new ATOM 684 N ALA A 399 -21.657 -4.313 1.053 1.00 0.00 N ATOM 685 CA ALA A 399 -21.953 -3.514 -0.131 1.00 0.00 C ATOM 686 C ALA A 399 -22.896 -4.289 -1.042 1.00 0.00 C ATOM 687 O ALA A 399 -23.302 -5.402 -0.706 1.00 0.00 O ATOM 688 CB ALA A 399 -20.666 -3.151 -0.870 1.00 0.00 C ATOM 0 H ALA A 399 -20.703 -4.672 1.095 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.436 -2.586 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.908 -2.555 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.017 -2.576 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.154 -4.063 -1.178 1.00 0.00 H new ATOM 694 N GLU A 400 -23.231 -3.723 -2.198 1.00 0.00 N ATOM 695 CA GLU A 400 -24.110 -4.412 -3.138 1.00 0.00 C ATOM 696 C GLU A 400 -23.549 -5.802 -3.403 1.00 0.00 C ATOM 697 O GLU A 400 -24.287 -6.775 -3.560 1.00 0.00 O ATOM 698 CB GLU A 400 -24.227 -3.628 -4.447 1.00 0.00 C ATOM 699 CG GLU A 400 -24.830 -2.243 -4.277 1.00 0.00 C ATOM 700 CD GLU A 400 -24.925 -1.481 -5.584 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.615 -1.967 -6.506 1.00 0.00 O ATOM 702 OE2 GLU A 400 -24.312 -0.398 -5.687 1.00 0.00 O ATOM 0 H GLU A 400 -22.913 -2.803 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.108 -4.491 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.237 -3.531 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.838 -4.197 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.825 -2.336 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.226 -1.672 -3.572 1.00 0.00 H new ATOM 709 N ASN A 401 -22.223 -5.865 -3.419 1.00 0.00 N ATOM 710 CA ASN A 401 -21.480 -7.100 -3.631 1.00 0.00 C ATOM 711 C ASN A 401 -20.068 -6.907 -3.100 1.00 0.00 C ATOM 712 O ASN A 401 -19.097 -7.393 -3.684 1.00 0.00 O ATOM 713 CB ASN A 401 -21.424 -7.447 -5.120 1.00 0.00 C ATOM 714 CG ASN A 401 -22.798 -7.554 -5.748 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.520 -8.528 -5.537 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.176 -6.527 -6.497 1.00 0.00 N ATOM 0 H ASN A 401 -21.626 -5.049 -3.283 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.977 -7.917 -3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.848 -6.685 -5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.896 -8.392 -5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.101 -6.522 -6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.542 -5.742 -6.643 1.00 0.00 H new ATOM 723 N LYS A 402 -19.971 -6.155 -2.002 1.00 0.00 N ATOM 724 CA LYS A 402 -18.686 -5.833 -1.382 1.00 0.00 C ATOM 725 C LYS A 402 -17.902 -4.917 -2.313 1.00 0.00 C ATOM 726 O LYS A 402 -17.779 -5.205 -3.504 1.00 0.00 O ATOM 727 CB LYS A 402 -17.881 -7.103 -1.079 1.00 0.00 C ATOM 728 CG LYS A 402 -18.455 -7.958 0.045 1.00 0.00 C ATOM 729 CD LYS A 402 -19.812 -8.544 -0.316 1.00 0.00 C ATOM 730 CE LYS A 402 -20.371 -9.394 0.813 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.544 -8.610 2.067 1.00 0.00 N ATOM 0 H LYS A 402 -20.776 -5.755 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.868 -5.327 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.823 -7.706 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.861 -6.819 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.761 -8.767 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.550 -7.354 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -20.509 -7.737 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.719 -9.150 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -21.331 -9.812 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.702 -10.234 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -21.231 -9.089 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.631 -8.535 2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.891 -7.657 1.836 1.00 0.00 H new ATOM 745 N LYS A 403 -17.391 -3.796 -1.799 1.00 0.00 N ATOM 746 CA LYS A 403 -16.661 -2.876 -2.667 1.00 0.00 C ATOM 747 C LYS A 403 -15.628 -2.026 -1.927 1.00 0.00 C ATOM 748 O LYS A 403 -15.888 -1.506 -0.844 1.00 0.00 O ATOM 749 CB LYS A 403 -17.646 -1.965 -3.406 1.00 0.00 C ATOM 750 CG LYS A 403 -18.439 -1.044 -2.491 1.00 0.00 C ATOM 751 CD LYS A 403 -19.468 -0.226 -3.263 1.00 0.00 C ATOM 752 CE LYS A 403 -20.656 -1.070 -3.709 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.270 -2.128 -4.685 1.00 0.00 N ATOM 0 H LYS A 403 -17.465 -3.512 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.107 -3.494 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -17.096 -1.360 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.341 -2.583 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.944 -1.637 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.756 -0.372 -1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.821 0.594 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.993 0.221 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.115 -1.535 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.409 -0.423 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.064 -2.310 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.444 -1.811 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.032 -3.002 -4.174 1.00 0.00 H new ATOM 767 N CYS A 404 -14.459 -1.876 -2.552 1.00 0.00 N ATOM 768 CA CYS A 404 -13.369 -1.071 -2.000 1.00 0.00 C ATOM 769 C CYS A 404 -13.342 0.303 -2.670 1.00 0.00 C ATOM 770 O CYS A 404 -13.461 0.400 -3.891 1.00 0.00 O ATOM 771 CB CYS A 404 -12.024 -1.775 -2.216 1.00 0.00 C ATOM 772 SG CYS A 404 -10.577 -0.821 -1.646 1.00 0.00 S ATOM 0 H CYS A 404 -14.242 -2.307 -3.451 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.537 -0.947 -0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.041 -2.733 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.907 -1.991 -3.278 1.00 0.00 H new ATOM 777 N THR A 405 -13.188 1.362 -1.877 1.00 0.00 N ATOM 778 CA THR A 405 -13.151 2.720 -2.423 1.00 0.00 C ATOM 779 C THR A 405 -12.200 3.618 -1.641 1.00 0.00 C ATOM 780 O THR A 405 -12.035 3.469 -0.431 1.00 0.00 O ATOM 781 CB THR A 405 -14.545 3.372 -2.436 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.041 3.492 -1.098 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.520 2.560 -3.275 1.00 0.00 C ATOM 0 H THR A 405 -13.088 1.309 -0.863 1.00 0.00 H new ATOM 0 HA THR A 405 -12.793 2.620 -3.448 1.00 0.00 H new ATOM 0 HB THR A 405 -14.452 4.363 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.052 4.436 -0.837 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.497 3.043 -3.267 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.154 2.498 -4.300 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.608 1.556 -2.860 1.00 0.00 H new ATOM 791 N LEU A 406 -11.576 4.550 -2.354 1.00 0.00 N ATOM 792 CA LEU A 406 -10.631 5.486 -1.761 1.00 0.00 C ATOM 793 C LEU A 406 -11.311 6.380 -0.736 1.00 0.00 C ATOM 794 O LEU A 406 -12.461 6.784 -0.904 1.00 0.00 O ATOM 795 CB LEU A 406 -9.982 6.326 -2.863 1.00 0.00 C ATOM 796 CG LEU A 406 -8.799 7.204 -2.442 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.275 8.502 -1.811 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.882 6.454 -1.490 1.00 0.00 C ATOM 0 H LEU A 406 -11.712 4.677 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.859 4.919 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.645 5.653 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.747 6.969 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.234 7.453 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.413 9.104 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.880 9.055 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.874 8.279 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.049 7.097 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.440 6.166 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.498 5.561 -1.983 1.00 0.00 H new ATOM 810 N ASP A 407 -10.580 6.684 0.327 1.00 0.00 N ATOM 811 CA ASP A 407 -11.088 7.533 1.397 1.00 0.00 C ATOM 812 C ASP A 407 -10.101 8.654 1.701 1.00 0.00 C ATOM 813 O ASP A 407 -8.897 8.423 1.796 1.00 0.00 O ATOM 814 CB ASP A 407 -11.347 6.704 2.656 1.00 0.00 C ATOM 815 CG ASP A 407 -11.896 7.538 3.796 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.968 8.154 3.619 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.255 7.574 4.868 1.00 0.00 O ATOM 0 H ASP A 407 -9.626 6.353 0.472 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.029 7.976 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.051 5.905 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.418 6.229 2.972 1.00 0.00 H new ATOM 822 N LYS A 408 -10.618 9.870 1.841 1.00 0.00 N ATOM 823 CA LYS A 408 -9.782 11.031 2.123 1.00 0.00 C ATOM 824 C LYS A 408 -9.099 10.913 3.482 1.00 0.00 C ATOM 825 O LYS A 408 -7.915 11.217 3.618 1.00 0.00 O ATOM 826 CB LYS A 408 -10.619 12.312 2.065 1.00 0.00 C ATOM 827 CG LYS A 408 -11.331 12.511 0.735 1.00 0.00 C ATOM 828 CD LYS A 408 -10.347 12.593 -0.422 1.00 0.00 C ATOM 829 CE LYS A 408 -11.063 12.729 -1.756 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.915 13.950 -1.809 1.00 0.00 N ATOM 0 H LYS A 408 -11.614 10.077 1.764 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.005 11.074 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.359 12.290 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.972 13.169 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.024 11.687 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.925 13.424 0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.683 13.445 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.722 11.700 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.328 12.764 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.681 11.848 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.236 14.107 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.741 13.824 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.364 14.772 -1.489 1.00 0.00 H new ATOM 844 N GLU A 409 -9.852 10.475 4.487 1.00 0.00 N ATOM 845 CA GLU A 409 -9.317 10.323 5.835 1.00 0.00 C ATOM 846 C GLU A 409 -8.175 9.310 5.863 1.00 0.00 C ATOM 847 O GLU A 409 -7.144 9.539 6.495 1.00 0.00 O ATOM 848 CB GLU A 409 -10.427 9.887 6.792 1.00 0.00 C ATOM 849 CG GLU A 409 -9.961 9.736 8.229 1.00 0.00 C ATOM 850 CD GLU A 409 -11.077 9.315 9.167 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.221 9.151 8.694 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.806 9.149 10.374 1.00 0.00 O ATOM 0 H GLU A 409 -10.835 10.219 4.393 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.923 11.288 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.236 10.617 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.839 8.938 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.160 8.998 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.542 10.682 8.572 1.00 0.00 H new ATOM 859 N GLU A 410 -8.367 8.190 5.178 1.00 0.00 N ATOM 860 CA GLU A 410 -7.355 7.142 5.126 1.00 0.00 C ATOM 861 C GLU A 410 -6.143 7.590 4.315 1.00 0.00 C ATOM 862 O GLU A 410 -5.003 7.308 4.681 1.00 0.00 O ATOM 863 CB GLU A 410 -7.942 5.863 4.524 1.00 0.00 C ATOM 864 CG GLU A 410 -9.096 5.286 5.327 1.00 0.00 C ATOM 865 CD GLU A 410 -8.692 4.906 6.738 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.793 4.051 6.888 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.272 5.463 7.693 1.00 0.00 O ATOM 0 H GLU A 410 -9.215 7.984 4.650 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.030 6.939 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.285 6.072 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.154 5.114 4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.905 6.015 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.486 4.406 4.815 1.00 0.00 H new ATOM 874 N ALA A 411 -6.396 8.283 3.210 1.00 0.00 N ATOM 875 CA ALA A 411 -5.325 8.764 2.343 1.00 0.00 C ATOM 876 C ALA A 411 -4.398 9.722 3.081 1.00 0.00 C ATOM 877 O ALA A 411 -3.177 9.575 3.034 1.00 0.00 O ATOM 878 CB ALA A 411 -5.906 9.433 1.108 1.00 0.00 C ATOM 0 H ALA A 411 -7.335 8.525 2.893 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.733 7.903 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.096 9.787 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.514 8.715 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.526 10.278 1.409 1.00 0.00 H new ATOM 884 N LYS A 412 -4.980 10.703 3.764 1.00 0.00 N ATOM 885 CA LYS A 412 -4.193 11.676 4.511 1.00 0.00 C ATOM 886 C LYS A 412 -3.411 10.989 5.624 1.00 0.00 C ATOM 887 O LYS A 412 -2.290 11.385 5.943 1.00 0.00 O ATOM 888 CB LYS A 412 -5.093 12.773 5.088 1.00 0.00 C ATOM 889 CG LYS A 412 -6.141 12.263 6.065 1.00 0.00 C ATOM 890 CD LYS A 412 -7.057 13.381 6.544 1.00 0.00 C ATOM 891 CE LYS A 412 -6.285 14.467 7.279 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.601 13.936 8.490 1.00 0.00 N ATOM 0 H LYS A 412 -5.989 10.844 3.815 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.484 12.140 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.470 13.512 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.595 13.286 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.736 11.485 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.647 11.805 6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.575 13.818 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.821 12.968 7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.547 14.906 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.968 15.266 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.259 14.728 9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.270 13.364 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.795 13.345 8.202 1.00 0.00 H new