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= -0.59 X(o=-0.42,f=-0.016) USER MOD Set 1.2: A 405 THR OG1 : rot 33:sc= 0.173 USER MOD Set 2.1: A 384 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 2.2: A 390 LYS NZ :NH3+ -169:sc= -0.0255 (180deg=-0.169) USER MOD Set 3.1: A 377 THR OG1 : rot 177:sc= 0.893 USER MOD Set 3.2: A 380 SER OG : rot 94:sc= 1.02 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.784 F(o=-3.5!,f=-0.78) USER MOD Single : A 383 LYS NZ :NH3+ -167:sc= -0.0344 (180deg=-0.232) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.192 K(o=0.19,f=-4.4!) 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= 0.61 K(o=0.61,f=-3.5!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.65 F(o=-4.5!,f=-0.65) USER MOD Single : A 402 LYS NZ :NH3+ 168:sc= -0.0275 (180deg=-0.202) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= -0.0314 (180deg=-0.201) USER MOD Single : A 412 LYS NZ :NH3+ 171:sc= -2.04! (180deg=-2.25!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.565 5.927 -3.754 1.00 0.00 N ATOM 340 CA GLU A 376 -4.606 6.522 -2.924 1.00 0.00 C ATOM 341 C GLU A 376 -5.557 7.404 -3.716 1.00 0.00 C ATOM 342 O GLU A 376 -5.760 8.575 -3.398 1.00 0.00 O ATOM 343 CB GLU A 376 -3.993 7.320 -1.782 1.00 0.00 C ATOM 344 CG GLU A 376 -2.756 8.126 -2.161 1.00 0.00 C ATOM 345 CD GLU A 376 -3.026 9.196 -3.204 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.296 8.839 -4.370 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.969 10.394 -2.852 1.00 0.00 O ATOM 0 HA GLU A 376 -5.189 5.694 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.747 8.001 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.730 6.634 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.351 8.597 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.991 7.447 -2.538 1.00 0.00 H new ATOM 354 N THR A 377 -6.151 6.819 -4.728 1.00 0.00 N ATOM 355 CA THR A 377 -7.108 7.520 -5.567 1.00 0.00 C ATOM 356 C THR A 377 -8.390 6.718 -5.695 1.00 0.00 C ATOM 357 O THR A 377 -8.360 5.488 -5.763 1.00 0.00 O ATOM 358 CB THR A 377 -6.552 7.798 -6.973 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.199 6.569 -7.615 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.338 8.712 -6.907 1.00 0.00 C ATOM 0 H THR A 377 -5.990 5.848 -4.997 1.00 0.00 H new ATOM 0 HA THR A 377 -7.310 8.475 -5.082 1.00 0.00 H new ATOM 0 HB THR A 377 -7.329 8.297 -7.552 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.892 6.753 -8.527 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.964 8.893 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.621 9.660 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.558 8.239 -6.310 1.00 0.00 H new ATOM 368 N GLU A 378 -9.515 7.418 -5.724 1.00 0.00 N ATOM 369 CA GLU A 378 -10.812 6.767 -5.843 1.00 0.00 C ATOM 370 C GLU A 378 -10.827 5.849 -7.054 1.00 0.00 C ATOM 371 O GLU A 378 -11.419 4.770 -7.029 1.00 0.00 O ATOM 372 CB GLU A 378 -11.923 7.812 -5.966 1.00 0.00 C ATOM 373 CG GLU A 378 -13.322 7.216 -5.966 1.00 0.00 C ATOM 374 CD GLU A 378 -14.405 8.275 -6.059 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.469 9.140 -5.160 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.189 8.239 -7.030 1.00 0.00 O ATOM 0 H GLU A 378 -9.556 8.436 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.987 6.174 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.838 8.519 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.778 8.378 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.420 6.527 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.465 6.633 -5.056 1.00 0.00 H new ATOM 383 N GLY A 379 -10.171 6.297 -8.114 1.00 0.00 N ATOM 384 CA GLY A 379 -10.109 5.525 -9.337 1.00 0.00 C ATOM 385 C GLY A 379 -9.401 4.196 -9.177 1.00 0.00 C ATOM 386 O GLY A 379 -9.806 3.204 -9.782 1.00 0.00 O ATOM 0 H GLY A 379 -9.677 7.189 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.122 5.347 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.598 6.110 -10.101 1.00 0.00 H new ATOM 390 N SER A 380 -8.341 4.163 -8.376 1.00 0.00 N ATOM 391 CA SER A 380 -7.595 2.928 -8.172 1.00 0.00 C ATOM 392 C SER A 380 -8.335 1.985 -7.232 1.00 0.00 C ATOM 393 O SER A 380 -8.456 0.788 -7.498 1.00 0.00 O ATOM 394 CB SER A 380 -6.210 3.236 -7.616 1.00 0.00 C ATOM 395 OG SER A 380 -5.462 4.035 -8.517 1.00 0.00 O ATOM 0 H SER A 380 -7.983 4.968 -7.863 1.00 0.00 H new ATOM 0 HA SER A 380 -7.493 2.434 -9.138 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.305 3.752 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.677 2.305 -7.423 1.00 0.00 H new ATOM 0 HG SER A 380 -5.571 4.981 -8.283 1.00 0.00 H new ATOM 401 N CYS A 381 -8.817 2.538 -6.128 1.00 0.00 N ATOM 402 CA CYS A 381 -9.535 1.768 -5.117 1.00 0.00 C ATOM 403 C CYS A 381 -10.731 1.014 -5.692 1.00 0.00 C ATOM 404 O CYS A 381 -10.904 -0.176 -5.426 1.00 0.00 O ATOM 405 CB CYS A 381 -9.988 2.695 -3.994 1.00 0.00 C ATOM 406 SG CYS A 381 -8.612 3.385 -3.027 1.00 0.00 S ATOM 0 H CYS A 381 -8.723 3.529 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.847 1.018 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.569 3.513 -4.420 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.652 2.147 -3.326 1.00 0.00 H new ATOM 411 N ASN A 382 -11.555 1.703 -6.471 1.00 0.00 N ATOM 412 CA ASN A 382 -12.734 1.081 -7.068 1.00 0.00 C ATOM 413 C ASN A 382 -12.346 -0.155 -7.867 1.00 0.00 C ATOM 414 O ASN A 382 -13.101 -1.123 -7.947 1.00 0.00 O ATOM 415 CB ASN A 382 -13.462 2.073 -7.979 1.00 0.00 C ATOM 416 CG ASN A 382 -13.915 3.326 -7.252 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.626 3.406 -5.958 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.522 4.214 -7.849 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.431 2.688 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.401 0.783 -6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.803 2.355 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.329 1.583 -8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.724 4.114 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.823 5.051 -7.349 1.00 0.00 H new ATOM 425 N LYS A 383 -11.166 -0.102 -8.469 1.00 0.00 N ATOM 426 CA LYS A 383 -10.663 -1.197 -9.282 1.00 0.00 C ATOM 427 C LYS A 383 -10.115 -2.338 -8.428 1.00 0.00 C ATOM 428 O LYS A 383 -10.085 -3.487 -8.871 1.00 0.00 O ATOM 429 CB LYS A 383 -9.578 -0.679 -10.225 1.00 0.00 C ATOM 430 CG LYS A 383 -10.024 0.509 -11.063 1.00 0.00 C ATOM 431 CD LYS A 383 -11.185 0.153 -11.980 1.00 0.00 C ATOM 432 CE LYS A 383 -10.800 -0.924 -12.983 1.00 0.00 C ATOM 433 NZ LYS A 383 -9.663 -0.500 -13.846 1.00 0.00 N ATOM 0 H LYS A 383 -10.535 0.697 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.497 -1.595 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.704 -0.394 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.268 -1.486 -10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.318 1.327 -10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.186 0.867 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.029 -0.192 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.515 1.045 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.531 -1.836 -12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.661 -1.162 -13.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -9.573 -1.155 -14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.837 0.462 -14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -8.783 -0.510 -13.291 1.00 0.00 H new ATOM 447 N LYS A 384 -9.665 -2.022 -7.215 1.00 0.00 N ATOM 448 CA LYS A 384 -9.103 -3.025 -6.328 1.00 0.00 C ATOM 449 C LYS A 384 -10.124 -4.089 -5.956 1.00 0.00 C ATOM 450 O LYS A 384 -11.229 -4.140 -6.496 1.00 0.00 O ATOM 451 CB LYS A 384 -8.578 -2.357 -5.066 1.00 0.00 C ATOM 452 CG LYS A 384 -7.734 -1.130 -5.356 1.00 0.00 C ATOM 453 CD LYS A 384 -6.589 -1.414 -6.300 1.00 0.00 C ATOM 454 CE LYS A 384 -5.793 -2.569 -5.789 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.381 -2.546 -6.257 1.00 0.00 N ATOM 0 H LYS A 384 -9.681 -1.078 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.287 -3.517 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.420 -2.072 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.984 -3.075 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.367 -0.353 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.337 -0.738 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -6.972 -1.636 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.953 -0.533 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.810 -2.563 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.263 -3.499 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -3.888 -3.396 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.360 -2.528 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.906 -1.698 -5.887 1.00 0.00 H new ATOM 469 N ASP A 385 -9.734 -4.920 -5.009 1.00 0.00 N ATOM 470 CA ASP A 385 -10.587 -5.991 -4.506 1.00 0.00 C ATOM 471 C ASP A 385 -10.382 -6.133 -3.012 1.00 0.00 C ATOM 472 O ASP A 385 -9.628 -5.376 -2.417 1.00 0.00 O ATOM 473 CB ASP A 385 -10.280 -7.316 -5.209 1.00 0.00 C ATOM 474 CG ASP A 385 -11.205 -8.441 -4.790 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.432 -8.300 -4.972 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.702 -9.465 -4.279 1.00 0.00 O ATOM 0 H ASP A 385 -8.818 -4.876 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.627 -5.737 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.356 -7.174 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -9.250 -7.603 -4.997 1.00 0.00 H new ATOM 481 N GLN A 386 -11.051 -7.094 -2.412 1.00 0.00 N ATOM 482 CA GLN A 386 -10.937 -7.313 -0.972 1.00 0.00 C ATOM 483 C GLN A 386 -9.474 -7.378 -0.542 1.00 0.00 C ATOM 484 O GLN A 386 -9.026 -6.589 0.289 1.00 0.00 O ATOM 485 CB GLN A 386 -11.661 -8.598 -0.567 1.00 0.00 C ATOM 486 CG GLN A 386 -11.712 -8.825 0.935 1.00 0.00 C ATOM 487 CD GLN A 386 -12.406 -10.121 1.303 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.968 -11.205 0.916 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.496 -10.017 2.054 1.00 0.00 N ATOM 0 H GLN A 386 -11.680 -7.739 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.406 -6.469 -0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.679 -8.568 -0.956 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.165 -9.447 -1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.697 -8.835 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.232 -7.991 1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.824 -9.098 2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.005 -10.856 2.332 1.00 0.00 H new ATOM 498 N ASN A 387 -8.735 -8.313 -1.121 1.00 0.00 N ATOM 499 CA ASN A 387 -7.328 -8.478 -0.811 1.00 0.00 C ATOM 500 C ASN A 387 -6.507 -7.313 -1.349 1.00 0.00 C ATOM 501 O ASN A 387 -5.445 -6.987 -0.816 1.00 0.00 O ATOM 502 CB ASN A 387 -6.823 -9.785 -1.409 1.00 0.00 C ATOM 503 CG ASN A 387 -7.048 -9.866 -2.905 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.181 -9.804 -3.380 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.964 -10.008 -3.656 1.00 0.00 N ATOM 0 H ASN A 387 -9.093 -8.972 -1.813 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.215 -8.501 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.758 -9.889 -1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.327 -10.621 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.051 -10.070 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.043 -10.055 -3.219 1.00 0.00 H new ATOM 512 N GLU A 388 -6.998 -6.701 -2.420 1.00 0.00 N ATOM 513 CA GLU A 388 -6.308 -5.584 -3.053 1.00 0.00 C ATOM 514 C GLU A 388 -6.742 -4.252 -2.463 1.00 0.00 C ATOM 515 O GLU A 388 -6.205 -3.205 -2.827 1.00 0.00 O ATOM 516 CB GLU A 388 -6.561 -5.601 -4.560 1.00 0.00 C ATOM 517 CG GLU A 388 -6.096 -6.880 -5.239 1.00 0.00 C ATOM 518 CD GLU A 388 -6.360 -6.879 -6.733 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.898 -5.874 -7.244 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.027 -7.886 -7.394 1.00 0.00 O ATOM 0 H GLU A 388 -7.876 -6.961 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.241 -5.698 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.627 -5.469 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.052 -4.752 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.029 -7.013 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.602 -7.732 -4.785 1.00 0.00 H new ATOM 527 N CYS A 389 -7.711 -4.282 -1.555 1.00 0.00 N ATOM 528 CA CYS A 389 -8.186 -3.056 -0.941 1.00 0.00 C ATOM 529 C CYS A 389 -7.048 -2.431 -0.145 1.00 0.00 C ATOM 530 O CYS A 389 -6.740 -2.859 0.967 1.00 0.00 O ATOM 531 CB CYS A 389 -9.404 -3.332 -0.055 1.00 0.00 C ATOM 532 SG CYS A 389 -10.406 -1.852 0.297 1.00 0.00 S ATOM 0 H CYS A 389 -8.175 -5.131 -1.234 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.504 -2.356 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.033 -4.078 -0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.066 -3.763 0.887 1.00 0.00 H new ATOM 537 N LYS A 390 -6.401 -1.443 -0.752 1.00 0.00 N ATOM 538 CA LYS A 390 -5.258 -0.775 -0.142 1.00 0.00 C ATOM 539 C LYS A 390 -5.649 0.092 1.050 1.00 0.00 C ATOM 540 O LYS A 390 -6.818 0.421 1.246 1.00 0.00 O ATOM 541 CB LYS A 390 -4.516 0.045 -1.190 1.00 0.00 C ATOM 542 CG LYS A 390 -3.799 -0.813 -2.226 1.00 0.00 C ATOM 543 CD LYS A 390 -2.596 -1.519 -1.621 1.00 0.00 C ATOM 544 CE LYS A 390 -1.850 -2.344 -2.659 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.707 -3.413 -3.241 1.00 0.00 N ATOM 0 H LYS A 390 -6.651 -1.085 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.597 -1.550 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.224 0.700 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.789 0.686 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.491 -1.551 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.476 -0.188 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.920 -0.781 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.924 -2.167 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.495 -1.690 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.970 -2.794 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.119 -4.064 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.175 -3.939 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.427 -2.984 -3.856 1.00 0.00 H new ATOM 559 N SER A 391 -4.643 0.430 1.854 1.00 0.00 N ATOM 560 CA SER A 391 -4.834 1.232 3.061 1.00 0.00 C ATOM 561 C SER A 391 -5.635 2.506 2.792 1.00 0.00 C ATOM 562 O SER A 391 -6.648 2.740 3.449 1.00 0.00 O ATOM 563 CB SER A 391 -3.483 1.581 3.688 1.00 0.00 C ATOM 564 OG SER A 391 -3.651 2.327 4.881 1.00 0.00 O ATOM 0 H SER A 391 -3.675 0.156 1.688 1.00 0.00 H new ATOM 0 HA SER A 391 -5.412 0.627 3.759 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.931 0.666 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.886 2.154 2.978 1.00 0.00 H new ATOM 0 HG SER A 391 -2.773 2.536 5.263 1.00 0.00 H new ATOM 570 N PRO A 392 -5.216 3.353 1.827 1.00 0.00 N ATOM 571 CA PRO A 392 -5.935 4.585 1.510 1.00 0.00 C ATOM 572 C PRO A 392 -7.402 4.316 1.229 1.00 0.00 C ATOM 573 O PRO A 392 -8.273 5.123 1.551 1.00 0.00 O ATOM 574 CB PRO A 392 -5.240 5.087 0.237 1.00 0.00 C ATOM 575 CG PRO A 392 -4.457 3.928 -0.266 1.00 0.00 C ATOM 576 CD PRO A 392 -4.036 3.200 0.960 1.00 0.00 C ATOM 0 HA PRO A 392 -5.913 5.300 2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.968 5.421 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.591 5.936 0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.060 3.294 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.596 4.254 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.812 2.153 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.142 3.636 1.407 1.00 0.00 H new ATOM 584 N CYS A 393 -7.654 3.171 0.617 1.00 0.00 N ATOM 585 CA CYS A 393 -9.003 2.763 0.265 1.00 0.00 C ATOM 586 C CYS A 393 -9.825 2.432 1.501 1.00 0.00 C ATOM 587 O CYS A 393 -9.286 2.044 2.539 1.00 0.00 O ATOM 588 CB CYS A 393 -8.954 1.554 -0.657 1.00 0.00 C ATOM 589 SG CYS A 393 -7.851 1.762 -2.089 1.00 0.00 S ATOM 0 H CYS A 393 -6.932 2.501 0.351 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.482 3.597 -0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.629 0.685 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.961 1.341 -1.015 1.00 0.00 H new ATOM 594 N LYS A 394 -11.136 2.573 1.370 1.00 0.00 N ATOM 595 CA LYS A 394 -12.055 2.276 2.460 1.00 0.00 C ATOM 596 C LYS A 394 -12.872 1.036 2.128 1.00 0.00 C ATOM 597 O LYS A 394 -13.622 1.012 1.145 1.00 0.00 O ATOM 598 CB LYS A 394 -12.983 3.464 2.728 1.00 0.00 C ATOM 599 CG LYS A 394 -13.858 3.288 3.961 1.00 0.00 C ATOM 600 CD LYS A 394 -13.027 3.240 5.236 1.00 0.00 C ATOM 601 CE LYS A 394 -12.303 4.554 5.483 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.471 4.508 6.718 1.00 0.00 N ATOM 0 H LYS A 394 -11.590 2.893 0.514 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.472 2.088 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.381 4.365 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.622 3.619 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.571 4.110 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.437 2.369 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.674 3.015 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.300 2.431 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.669 4.785 4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.032 5.360 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -10.995 5.423 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.079 4.313 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.758 3.756 6.628 1.00 0.00 H new ATOM 616 N TRP A 395 -12.707 0.008 2.951 1.00 0.00 N ATOM 617 CA TRP A 395 -13.406 -1.254 2.760 1.00 0.00 C ATOM 618 C TRP A 395 -14.838 -1.179 3.280 1.00 0.00 C ATOM 619 O TRP A 395 -15.126 -0.465 4.241 1.00 0.00 O ATOM 620 CB TRP A 395 -12.652 -2.384 3.465 1.00 0.00 C ATOM 621 CG TRP A 395 -13.239 -3.740 3.220 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.687 -4.620 4.163 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.426 -4.379 1.951 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.153 -5.762 3.558 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.003 -5.639 2.201 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.170 -4.008 0.626 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.323 -6.528 1.180 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.489 -4.892 -0.386 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.061 -6.139 -0.104 1.00 0.00 C ATOM 0 H TRP A 395 -12.090 0.026 3.763 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.445 -1.458 1.690 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.614 -2.381 3.131 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.643 -2.190 4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.677 -4.444 5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.547 -6.570 4.040 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.731 -3.048 0.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.763 -7.491 1.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.294 -4.617 -1.412 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.300 -6.807 -0.918 1.00 0.00 H new ATOM 640 N HIS A 396 -15.730 -1.931 2.643 1.00 0.00 N ATOM 641 CA HIS A 396 -17.132 -1.963 3.042 1.00 0.00 C ATOM 642 C HIS A 396 -17.682 -3.380 2.941 1.00 0.00 C ATOM 643 O HIS A 396 -17.690 -3.982 1.865 1.00 0.00 O ATOM 644 CB HIS A 396 -17.959 -1.019 2.166 1.00 0.00 C ATOM 645 CG HIS A 396 -17.563 0.420 2.297 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.628 1.115 3.486 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.093 1.296 1.377 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.217 2.356 3.293 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.885 2.492 2.022 1.00 0.00 N ATOM 0 H HIS A 396 -15.506 -2.528 1.847 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.200 -1.632 4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.858 -1.322 1.124 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.012 -1.123 2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.915 1.093 0.331 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.162 3.128 4.046 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.532 3.346 1.589 1.00 0.00 H new ATOM 658 N ASN A 397 -18.139 -3.907 4.072 1.00 0.00 N ATOM 659 CA ASN A 397 -18.692 -5.254 4.128 1.00 0.00 C ATOM 660 C ASN A 397 -20.040 -5.324 3.419 1.00 0.00 C ATOM 661 O ASN A 397 -20.777 -4.338 3.369 1.00 0.00 O ATOM 662 CB ASN A 397 -18.836 -5.708 5.580 1.00 0.00 C ATOM 663 CG ASN A 397 -19.719 -4.780 6.392 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.425 -3.594 6.536 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.808 -5.318 6.927 1.00 0.00 N ATOM 0 H ASN A 397 -18.137 -3.418 4.967 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.002 -5.923 3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.253 -6.715 5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.849 -5.761 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -21.440 -4.743 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -21.013 -6.307 6.782 1.00 0.00 H new ATOM 672 N ASP A 398 -20.350 -6.497 2.872 1.00 0.00 N ATOM 673 CA ASP A 398 -21.605 -6.709 2.161 1.00 0.00 C ATOM 674 C ASP A 398 -21.674 -5.845 0.902 1.00 0.00 C ATOM 675 O ASP A 398 -21.060 -6.173 -0.113 1.00 0.00 O ATOM 676 CB ASP A 398 -22.801 -6.419 3.076 1.00 0.00 C ATOM 677 CG ASP A 398 -22.831 -7.323 4.293 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.870 -7.279 5.090 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.816 -8.076 4.449 1.00 0.00 O ATOM 0 H ASP A 398 -19.745 -7.318 2.909 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.647 -7.755 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.763 -5.379 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.725 -6.543 2.512 1.00 0.00 H new ATOM 684 N ALA A 399 -22.428 -4.748 0.970 1.00 0.00 N ATOM 685 CA ALA A 399 -22.578 -3.848 -0.170 1.00 0.00 C ATOM 686 C ALA A 399 -23.172 -4.585 -1.368 1.00 0.00 C ATOM 687 O ALA A 399 -23.605 -5.732 -1.248 1.00 0.00 O ATOM 688 CB ALA A 399 -21.235 -3.223 -0.538 1.00 0.00 C ATOM 0 H ALA A 399 -22.944 -4.462 1.803 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.265 -3.050 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.366 -2.555 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.852 -2.657 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.527 -4.010 -0.799 1.00 0.00 H new ATOM 694 N GLU A 400 -23.184 -3.925 -2.521 1.00 0.00 N ATOM 695 CA GLU A 400 -23.717 -4.526 -3.738 1.00 0.00 C ATOM 696 C GLU A 400 -22.863 -5.718 -4.148 1.00 0.00 C ATOM 697 O GLU A 400 -23.364 -6.708 -4.683 1.00 0.00 O ATOM 698 CB GLU A 400 -23.765 -3.501 -4.875 1.00 0.00 C ATOM 699 CG GLU A 400 -24.790 -2.388 -4.683 1.00 0.00 C ATOM 700 CD GLU A 400 -24.456 -1.450 -3.536 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.562 -1.873 -2.366 1.00 0.00 O ATOM 702 OE2 GLU A 400 -24.086 -0.290 -3.812 1.00 0.00 O ATOM 0 H GLU A 400 -22.831 -2.975 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.733 -4.865 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -22.777 -3.053 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.984 -4.022 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.865 -1.811 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.769 -2.833 -4.505 1.00 0.00 H new ATOM 709 N ASN A 401 -21.566 -5.604 -3.888 1.00 0.00 N ATOM 710 CA ASN A 401 -20.608 -6.651 -4.215 1.00 0.00 C ATOM 711 C ASN A 401 -19.246 -6.307 -3.624 1.00 0.00 C ATOM 712 O ASN A 401 -18.224 -6.371 -4.309 1.00 0.00 O ATOM 713 CB ASN A 401 -20.500 -6.825 -5.733 1.00 0.00 C ATOM 714 CG ASN A 401 -20.084 -5.553 -6.458 1.00 0.00 C ATOM 715 OD1 ASN A 401 -19.906 -4.462 -5.719 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -19.925 -5.552 -7.679 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.150 -4.784 -3.445 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.955 -7.591 -3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -19.778 -7.612 -5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.462 -7.159 -6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.071 -6.409 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.647 -4.694 -8.156 1.00 0.00 H new ATOM 723 N LYS A 402 -19.257 -5.920 -2.348 1.00 0.00 N ATOM 724 CA LYS A 402 -18.040 -5.534 -1.640 1.00 0.00 C ATOM 725 C LYS A 402 -17.515 -4.211 -2.184 1.00 0.00 C ATOM 726 O LYS A 402 -17.245 -4.086 -3.379 1.00 0.00 O ATOM 727 CB LYS A 402 -16.970 -6.621 -1.768 1.00 0.00 C ATOM 728 CG LYS A 402 -17.385 -7.963 -1.184 1.00 0.00 C ATOM 729 CD LYS A 402 -17.598 -7.879 0.320 1.00 0.00 C ATOM 730 CE LYS A 402 -18.033 -9.216 0.895 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.013 -10.277 0.669 1.00 0.00 N ATOM 0 H LYS A 402 -20.103 -5.866 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.280 -5.413 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.725 -6.754 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.061 -6.284 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.304 -8.300 -1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.619 -8.708 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.675 -7.557 0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.353 -7.124 0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.215 -9.109 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.977 -9.517 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.247 -11.112 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.003 -10.541 -0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.075 -9.921 0.942 1.00 0.00 H new ATOM 745 N LYS A 403 -17.388 -3.217 -1.308 1.00 0.00 N ATOM 746 CA LYS A 403 -16.911 -1.904 -1.723 1.00 0.00 C ATOM 747 C LYS A 403 -15.540 -1.575 -1.139 1.00 0.00 C ATOM 748 O LYS A 403 -15.227 -1.937 -0.006 1.00 0.00 O ATOM 749 CB LYS A 403 -17.909 -0.813 -1.328 1.00 0.00 C ATOM 750 CG LYS A 403 -19.241 -0.906 -2.056 1.00 0.00 C ATOM 751 CD LYS A 403 -20.094 0.333 -1.823 1.00 0.00 C ATOM 752 CE LYS A 403 -20.330 0.591 -0.342 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.149 1.812 -0.116 1.00 0.00 N ATOM 0 H LYS A 403 -17.607 -3.296 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.816 -1.936 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.088 -0.869 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.464 0.162 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.065 -1.031 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.781 -1.790 -1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.605 1.199 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.053 0.214 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.831 -0.270 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.371 0.698 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.287 1.953 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.659 2.638 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.074 1.700 -0.578 1.00 0.00 H new ATOM 767 N CYS A 404 -14.742 -0.864 -1.926 1.00 0.00 N ATOM 768 CA CYS A 404 -13.404 -0.440 -1.520 1.00 0.00 C ATOM 769 C CYS A 404 -13.140 0.954 -2.076 1.00 0.00 C ATOM 770 O CYS A 404 -12.269 1.144 -2.921 1.00 0.00 O ATOM 771 CB CYS A 404 -12.340 -1.421 -2.030 1.00 0.00 C ATOM 772 SG CYS A 404 -10.638 -0.995 -1.535 1.00 0.00 S ATOM 0 H CYS A 404 -15.003 -0.564 -2.865 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.349 -0.424 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.575 -2.419 -1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.391 -1.463 -3.118 1.00 0.00 H new ATOM 777 N THR A 405 -13.935 1.921 -1.618 1.00 0.00 N ATOM 778 CA THR A 405 -13.827 3.301 -2.092 1.00 0.00 C ATOM 779 C THR A 405 -12.750 4.090 -1.356 1.00 0.00 C ATOM 780 O THR A 405 -12.686 4.077 -0.131 1.00 0.00 O ATOM 781 CB THR A 405 -15.168 4.042 -1.949 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.551 4.103 -0.569 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.258 3.347 -2.751 1.00 0.00 C ATOM 0 H THR A 405 -14.662 1.774 -0.918 1.00 0.00 H new ATOM 0 HA THR A 405 -13.548 3.236 -3.144 1.00 0.00 H new ATOM 0 HB THR A 405 -15.041 5.053 -2.336 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.749 4.160 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.197 3.889 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.978 3.328 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.381 2.326 -2.389 1.00 0.00 H new ATOM 791 N LEU A 406 -11.919 4.791 -2.122 1.00 0.00 N ATOM 792 CA LEU A 406 -10.847 5.603 -1.563 1.00 0.00 C ATOM 793 C LEU A 406 -11.398 6.603 -0.554 1.00 0.00 C ATOM 794 O LEU A 406 -12.481 7.159 -0.739 1.00 0.00 O ATOM 795 CB LEU A 406 -10.099 6.328 -2.686 1.00 0.00 C ATOM 796 CG LEU A 406 -8.813 7.062 -2.281 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.121 8.400 -1.632 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.969 6.199 -1.356 1.00 0.00 C ATOM 0 H LEU A 406 -11.970 4.811 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.149 4.948 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.849 5.599 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.778 7.051 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.242 7.256 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.189 8.894 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.671 9.027 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.724 8.241 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.063 6.739 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.538 5.965 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.700 5.274 -1.866 1.00 0.00 H new ATOM 810 N ASP A 407 -10.640 6.821 0.509 1.00 0.00 N ATOM 811 CA ASP A 407 -11.037 7.751 1.559 1.00 0.00 C ATOM 812 C ASP A 407 -10.029 8.888 1.669 1.00 0.00 C ATOM 813 O ASP A 407 -8.820 8.658 1.662 1.00 0.00 O ATOM 814 CB ASP A 407 -11.155 7.018 2.898 1.00 0.00 C ATOM 815 CG ASP A 407 -11.714 7.900 3.997 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.845 8.407 3.835 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.027 8.078 5.024 1.00 0.00 O ATOM 0 H ASP A 407 -9.742 6.365 0.669 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.009 8.171 1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.797 6.146 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.172 6.652 3.195 1.00 0.00 H new ATOM 822 N LYS A 408 -10.529 10.116 1.759 1.00 0.00 N ATOM 823 CA LYS A 408 -9.660 11.285 1.857 1.00 0.00 C ATOM 824 C LYS A 408 -8.908 11.306 3.185 1.00 0.00 C ATOM 825 O LYS A 408 -7.685 11.438 3.209 1.00 0.00 O ATOM 826 CB LYS A 408 -10.465 12.579 1.705 1.00 0.00 C ATOM 827 CG LYS A 408 -11.095 12.774 0.332 1.00 0.00 C ATOM 828 CD LYS A 408 -12.207 11.772 0.067 1.00 0.00 C ATOM 829 CE LYS A 408 -12.879 12.028 -1.273 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.914 11.946 -2.404 1.00 0.00 N ATOM 0 H LYS A 408 -11.527 10.328 1.766 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.936 11.218 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.253 12.592 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.811 13.425 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.493 13.786 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.328 12.675 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.799 10.761 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.948 11.830 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.677 11.301 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.344 13.014 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.435 11.923 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.288 12.777 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.344 11.081 -2.312 1.00 0.00 H new ATOM 844 N GLU A 409 -9.645 11.181 4.287 1.00 0.00 N ATOM 845 CA GLU A 409 -9.044 11.191 5.614 1.00 0.00 C ATOM 846 C GLU A 409 -7.994 10.096 5.741 1.00 0.00 C ATOM 847 O GLU A 409 -6.901 10.325 6.261 1.00 0.00 O ATOM 848 CB GLU A 409 -10.121 11.010 6.685 1.00 0.00 C ATOM 849 CG GLU A 409 -9.573 11.042 8.101 1.00 0.00 C ATOM 850 CD GLU A 409 -10.657 10.896 9.151 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.349 9.857 9.149 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.812 11.822 9.975 1.00 0.00 O ATOM 0 H GLU A 409 -10.659 11.072 4.285 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.557 12.155 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.869 11.795 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.630 10.060 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.845 10.240 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.043 11.981 8.260 1.00 0.00 H new ATOM 859 N GLU A 410 -8.330 8.906 5.257 1.00 0.00 N ATOM 860 CA GLU A 410 -7.413 7.774 5.310 1.00 0.00 C ATOM 861 C GLU A 410 -6.187 8.051 4.452 1.00 0.00 C ATOM 862 O GLU A 410 -5.054 7.826 4.876 1.00 0.00 O ATOM 863 CB GLU A 410 -8.112 6.499 4.836 1.00 0.00 C ATOM 864 CG GLU A 410 -7.260 5.248 4.975 1.00 0.00 C ATOM 865 CD GLU A 410 -6.938 4.911 6.419 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.273 5.730 7.088 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.351 3.827 6.882 1.00 0.00 O ATOM 0 H GLU A 410 -9.230 8.700 4.824 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.095 7.632 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.032 6.366 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.398 6.619 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.781 4.407 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.330 5.384 4.423 1.00 0.00 H new ATOM 874 N ALA A 411 -6.426 8.554 3.244 1.00 0.00 N ATOM 875 CA ALA A 411 -5.349 8.881 2.321 1.00 0.00 C ATOM 876 C ALA A 411 -4.363 9.840 2.967 1.00 0.00 C ATOM 877 O ALA A 411 -3.154 9.730 2.772 1.00 0.00 O ATOM 878 CB ALA A 411 -5.913 9.486 1.046 1.00 0.00 C ATOM 0 H ALA A 411 -7.361 8.744 2.883 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.821 7.961 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.096 9.726 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.585 8.771 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.463 10.396 1.287 1.00 0.00 H new ATOM 884 N LYS A 412 -4.891 10.778 3.742 1.00 0.00 N ATOM 885 CA LYS A 412 -4.064 11.757 4.430 1.00 0.00 C ATOM 886 C LYS A 412 -3.144 11.070 5.435 1.00 0.00 C ATOM 887 O LYS A 412 -1.946 11.343 5.482 1.00 0.00 O ATOM 888 CB LYS A 412 -4.948 12.781 5.142 1.00 0.00 C ATOM 889 CG LYS A 412 -5.779 13.630 4.195 1.00 0.00 C ATOM 890 CD LYS A 412 -6.762 14.507 4.954 1.00 0.00 C ATOM 891 CE LYS A 412 -7.512 15.441 4.016 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.274 14.692 2.979 1.00 0.00 N ATOM 0 H LYS A 412 -5.892 10.881 3.910 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.448 12.271 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.615 12.258 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.318 13.435 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.121 14.256 3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.323 12.983 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.474 13.879 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.227 15.092 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.198 16.061 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.805 16.114 3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.889 15.349 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.610 14.241 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.856 13.962 3.436 1.00 0.00 H new