USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HD1:sc= 0.689 K(o=1.3,f=-4.2!) USER MOD Set 1.2: A 405 THR OG1 : rot 140:sc= 0.608 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.603 USER MOD Set 2.2: A 380 SER OG : rot 82:sc= 0.678 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.06 F(o=-4.6!,f=-1.1) USER MOD Single : A 383 LYS NZ :NH3+ 163:sc= -0.0372 (180deg=-0.341) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= -1.86! C(o=-1.9!,f=-1.9!) USER MOD Single : A 387 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.31) USER MOD Single : A 390 LYS NZ :NH3+ -165:sc= -0.048 (180deg=-0.277) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -105:sc= 0.712 (180deg=0.0136) USER MOD Single : A 397 ASN : amide:sc= 0.448 K(o=0.45,f=-3.6!) USER MOD Single : A 401 ASN : amide:sc= -2.11 X(o=-2.1,f=-2.2) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ -170:sc= -0.0142 (180deg=-0.159) 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 -3.164 6.864 -4.203 1.00 0.00 N ATOM 340 CA GLU A 376 -4.125 6.133 -5.001 1.00 0.00 C ATOM 341 C GLU A 376 -5.370 6.968 -5.269 1.00 0.00 C ATOM 342 O GLU A 376 -5.768 7.796 -4.448 1.00 0.00 O ATOM 343 CB GLU A 376 -4.479 4.867 -4.254 1.00 0.00 C ATOM 344 CG GLU A 376 -3.240 4.147 -3.765 1.00 0.00 C ATOM 345 CD GLU A 376 -2.627 3.245 -4.818 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.179 3.174 -5.937 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.593 2.609 -4.525 1.00 0.00 O ATOM 0 HA GLU A 376 -3.692 5.892 -5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.118 5.111 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.052 4.207 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.500 4.882 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.494 3.552 -2.888 1.00 0.00 H new ATOM 354 N THR A 377 -5.974 6.750 -6.429 1.00 0.00 N ATOM 355 CA THR A 377 -7.170 7.484 -6.822 1.00 0.00 C ATOM 356 C THR A 377 -8.423 6.645 -6.628 1.00 0.00 C ATOM 357 O THR A 377 -8.381 5.419 -6.721 1.00 0.00 O ATOM 358 CB THR A 377 -7.091 7.943 -8.290 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.969 6.807 -9.154 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.905 8.874 -8.499 1.00 0.00 C ATOM 0 H THR A 377 -5.654 6.068 -7.117 1.00 0.00 H new ATOM 0 HA THR A 377 -7.225 8.362 -6.178 1.00 0.00 H new ATOM 0 HB THR A 377 -8.007 8.483 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.921 7.108 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.867 9.187 -9.543 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.014 9.751 -7.861 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.983 8.352 -8.243 1.00 0.00 H new ATOM 368 N GLU A 378 -9.537 7.319 -6.355 1.00 0.00 N ATOM 369 CA GLU A 378 -10.811 6.645 -6.146 1.00 0.00 C ATOM 370 C GLU A 378 -11.068 5.634 -7.252 1.00 0.00 C ATOM 371 O GLU A 378 -11.522 4.519 -6.996 1.00 0.00 O ATOM 372 CB GLU A 378 -11.941 7.672 -6.088 1.00 0.00 C ATOM 373 CG GLU A 378 -13.312 7.061 -5.857 1.00 0.00 C ATOM 374 CD GLU A 378 -14.411 8.104 -5.783 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.599 8.840 -6.774 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.081 8.185 -4.732 1.00 0.00 O ATOM 0 H GLU A 378 -9.581 8.335 -6.274 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.773 6.110 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.732 8.384 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.957 8.235 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.534 6.361 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.298 6.487 -4.931 1.00 0.00 H new ATOM 383 N GLY A 379 -10.763 6.027 -8.480 1.00 0.00 N ATOM 384 CA GLY A 379 -10.956 5.142 -9.611 1.00 0.00 C ATOM 385 C GLY A 379 -10.169 3.854 -9.473 1.00 0.00 C ATOM 386 O GLY A 379 -10.664 2.779 -9.813 1.00 0.00 O ATOM 0 H GLY A 379 -10.385 6.945 -8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.016 4.909 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.655 5.653 -10.525 1.00 0.00 H new ATOM 390 N SER A 380 -8.943 3.963 -8.972 1.00 0.00 N ATOM 391 CA SER A 380 -8.087 2.797 -8.788 1.00 0.00 C ATOM 392 C SER A 380 -8.650 1.861 -7.723 1.00 0.00 C ATOM 393 O SER A 380 -8.766 0.653 -7.942 1.00 0.00 O ATOM 394 CB SER A 380 -6.679 3.231 -8.401 1.00 0.00 C ATOM 395 OG SER A 380 -6.089 4.025 -9.415 1.00 0.00 O ATOM 0 H SER A 380 -8.520 4.846 -8.686 1.00 0.00 H new ATOM 0 HA SER A 380 -8.051 2.257 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.713 3.794 -7.468 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.062 2.351 -8.220 1.00 0.00 H new ATOM 0 HG SER A 380 -6.403 4.950 -9.331 1.00 0.00 H new ATOM 401 N CYS A 381 -8.994 2.426 -6.569 1.00 0.00 N ATOM 402 CA CYS A 381 -9.543 1.638 -5.466 1.00 0.00 C ATOM 403 C CYS A 381 -10.786 0.867 -5.900 1.00 0.00 C ATOM 404 O CYS A 381 -10.954 -0.302 -5.552 1.00 0.00 O ATOM 405 CB CYS A 381 -9.884 2.538 -4.278 1.00 0.00 C ATOM 406 SG CYS A 381 -8.444 3.355 -3.519 1.00 0.00 S ATOM 0 H CYS A 381 -8.903 3.423 -6.372 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.780 0.921 -5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.589 3.302 -4.606 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.391 1.942 -3.519 1.00 0.00 H new ATOM 411 N ASN A 382 -11.655 1.526 -6.661 1.00 0.00 N ATOM 412 CA ASN A 382 -12.883 0.897 -7.141 1.00 0.00 C ATOM 413 C ASN A 382 -12.569 -0.392 -7.885 1.00 0.00 C ATOM 414 O ASN A 382 -13.298 -1.379 -7.781 1.00 0.00 O ATOM 415 CB ASN A 382 -13.647 1.849 -8.062 1.00 0.00 C ATOM 416 CG ASN A 382 -14.028 3.148 -7.378 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.684 3.274 -6.102 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.629 4.031 -7.992 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.533 2.494 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.504 0.664 -6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.035 2.070 -8.937 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.549 1.354 -8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.875 3.894 -8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.881 4.899 -7.520 1.00 0.00 H new ATOM 425 N LYS A 383 -11.476 -0.370 -8.634 1.00 0.00 N ATOM 426 CA LYS A 383 -11.050 -1.527 -9.402 1.00 0.00 C ATOM 427 C LYS A 383 -10.581 -2.645 -8.479 1.00 0.00 C ATOM 428 O LYS A 383 -10.784 -3.825 -8.765 1.00 0.00 O ATOM 429 CB LYS A 383 -9.929 -1.131 -10.363 1.00 0.00 C ATOM 430 CG LYS A 383 -10.281 0.057 -11.247 1.00 0.00 C ATOM 431 CD LYS A 383 -11.524 -0.213 -12.081 1.00 0.00 C ATOM 432 CE LYS A 383 -11.809 0.930 -13.042 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.694 1.135 -14.008 1.00 0.00 N ATOM 0 H LYS A 383 -10.866 0.442 -8.725 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.900 -1.893 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.034 -0.893 -9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.684 -1.985 -10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.444 0.938 -10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.442 0.282 -11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.393 -1.138 -12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.381 -0.359 -11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.729 0.724 -13.588 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.973 1.847 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.030 1.707 -14.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.911 1.629 -13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.362 0.213 -14.356 1.00 0.00 H new ATOM 447 N LYS A 384 -9.938 -2.262 -7.376 1.00 0.00 N ATOM 448 CA LYS A 384 -9.423 -3.214 -6.414 1.00 0.00 C ATOM 449 C LYS A 384 -10.505 -4.146 -5.889 1.00 0.00 C ATOM 450 O LYS A 384 -11.641 -4.152 -6.360 1.00 0.00 O ATOM 451 CB LYS A 384 -8.792 -2.457 -5.252 1.00 0.00 C ATOM 452 CG LYS A 384 -7.828 -1.375 -5.697 1.00 0.00 C ATOM 453 CD LYS A 384 -6.685 -1.937 -6.525 1.00 0.00 C ATOM 454 CE LYS A 384 -7.013 -1.960 -8.011 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.829 -2.326 -8.837 1.00 0.00 N ATOM 0 H LYS A 384 -9.764 -1.287 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.680 -3.831 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.581 -2.006 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.265 -3.163 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.366 -0.628 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.425 -0.866 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.790 -1.337 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.457 -2.948 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.817 -2.673 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.380 -0.980 -8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.095 -2.330 -9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.070 -1.632 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.494 -3.272 -8.564 1.00 0.00 H new ATOM 469 N ASP A 385 -10.122 -4.920 -4.892 1.00 0.00 N ATOM 470 CA ASP A 385 -11.016 -5.870 -4.250 1.00 0.00 C ATOM 471 C ASP A 385 -10.622 -6.039 -2.790 1.00 0.00 C ATOM 472 O ASP A 385 -9.979 -5.166 -2.217 1.00 0.00 O ATOM 473 CB ASP A 385 -10.960 -7.217 -4.970 1.00 0.00 C ATOM 474 CG ASP A 385 -11.464 -7.135 -6.397 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.640 -6.762 -6.589 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.683 -7.442 -7.322 1.00 0.00 O ATOM 0 H ASP A 385 -9.180 -4.909 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.036 -5.490 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.933 -7.582 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.556 -7.945 -4.419 1.00 0.00 H new ATOM 481 N GLN A 386 -10.993 -7.161 -2.186 1.00 0.00 N ATOM 482 CA GLN A 386 -10.651 -7.406 -0.790 1.00 0.00 C ATOM 483 C GLN A 386 -9.136 -7.450 -0.619 1.00 0.00 C ATOM 484 O GLN A 386 -8.561 -6.668 0.138 1.00 0.00 O ATOM 485 CB GLN A 386 -11.284 -8.719 -0.316 1.00 0.00 C ATOM 486 CG GLN A 386 -11.215 -8.937 1.191 1.00 0.00 C ATOM 487 CD GLN A 386 -9.801 -9.145 1.699 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.116 -10.085 1.296 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.359 -8.266 2.591 1.00 0.00 N ATOM 0 H GLN A 386 -11.524 -7.908 -2.634 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.044 -6.591 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.328 -8.739 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.786 -9.550 -0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.653 -8.077 1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.820 -9.804 1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -9.962 -7.502 2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -8.416 -8.355 2.971 1.00 0.00 H new ATOM 498 N ASN A 387 -8.498 -8.370 -1.334 1.00 0.00 N ATOM 499 CA ASN A 387 -7.050 -8.531 -1.272 1.00 0.00 C ATOM 500 C ASN A 387 -6.333 -7.402 -2.009 1.00 0.00 C ATOM 501 O ASN A 387 -5.102 -7.363 -2.052 1.00 0.00 O ATOM 502 CB ASN A 387 -6.653 -9.880 -1.873 1.00 0.00 C ATOM 503 CG ASN A 387 -5.176 -10.170 -1.735 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.629 -10.166 -0.633 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.523 -10.434 -2.857 1.00 0.00 N ATOM 0 H ASN A 387 -8.965 -9.020 -1.967 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.749 -8.494 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.221 -10.672 -1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.925 -9.897 -2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.526 -10.645 -2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.018 -10.426 -3.749 1.00 0.00 H new ATOM 512 N GLU A 388 -7.102 -6.490 -2.596 1.00 0.00 N ATOM 513 CA GLU A 388 -6.521 -5.374 -3.334 1.00 0.00 C ATOM 514 C GLU A 388 -6.935 -4.035 -2.741 1.00 0.00 C ATOM 515 O GLU A 388 -6.469 -2.985 -3.184 1.00 0.00 O ATOM 516 CB GLU A 388 -6.924 -5.441 -4.808 1.00 0.00 C ATOM 517 CG GLU A 388 -6.440 -6.697 -5.513 1.00 0.00 C ATOM 518 CD GLU A 388 -6.832 -6.733 -6.977 1.00 0.00 C ATOM 519 OE1 GLU A 388 -8.047 -6.696 -7.267 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.926 -6.797 -7.833 1.00 0.00 O ATOM 0 H GLU A 388 -8.122 -6.501 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.437 -5.456 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.010 -5.388 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.526 -4.568 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.355 -6.760 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.850 -7.572 -5.009 1.00 0.00 H new ATOM 527 N CYS A 389 -7.801 -4.068 -1.733 1.00 0.00 N ATOM 528 CA CYS A 389 -8.246 -2.839 -1.094 1.00 0.00 C ATOM 529 C CYS A 389 -7.060 -2.194 -0.389 1.00 0.00 C ATOM 530 O CYS A 389 -6.666 -2.611 0.701 1.00 0.00 O ATOM 531 CB CYS A 389 -9.385 -3.125 -0.110 1.00 0.00 C ATOM 532 SG CYS A 389 -10.376 -1.659 0.328 1.00 0.00 S ATOM 0 H CYS A 389 -8.203 -4.922 -1.346 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.632 -2.152 -1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.043 -3.879 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.965 -3.552 0.801 1.00 0.00 H new ATOM 537 N LYS A 390 -6.469 -1.203 -1.045 1.00 0.00 N ATOM 538 CA LYS A 390 -5.292 -0.522 -0.517 1.00 0.00 C ATOM 539 C LYS A 390 -5.615 0.340 0.700 1.00 0.00 C ATOM 540 O LYS A 390 -6.764 0.719 0.927 1.00 0.00 O ATOM 541 CB LYS A 390 -4.642 0.309 -1.614 1.00 0.00 C ATOM 542 CG LYS A 390 -4.241 -0.521 -2.825 1.00 0.00 C ATOM 543 CD LYS A 390 -3.577 0.329 -3.894 1.00 0.00 C ATOM 544 CE LYS A 390 -3.150 -0.510 -5.088 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.159 -1.555 -4.709 1.00 0.00 N ATOM 0 H LYS A 390 -6.787 -0.851 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.591 -1.285 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.333 1.091 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.759 0.806 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.559 -1.313 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.124 -1.006 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.267 1.106 -4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.707 0.832 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -4.026 -0.984 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.720 0.138 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.706 -1.931 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.435 -1.138 -4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.643 -2.326 -4.206 1.00 0.00 H new ATOM 559 N SER A 391 -4.581 0.616 1.491 1.00 0.00 N ATOM 560 CA SER A 391 -4.710 1.400 2.710 1.00 0.00 C ATOM 561 C SER A 391 -5.433 2.731 2.481 1.00 0.00 C ATOM 562 O SER A 391 -6.415 3.017 3.165 1.00 0.00 O ATOM 563 CB SER A 391 -3.327 1.641 3.313 1.00 0.00 C ATOM 564 OG SER A 391 -2.683 0.417 3.621 1.00 0.00 O ATOM 0 H SER A 391 -3.630 0.300 1.302 1.00 0.00 H new ATOM 0 HA SER A 391 -5.323 0.827 3.406 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.716 2.210 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.421 2.243 4.217 1.00 0.00 H new ATOM 0 HG SER A 391 -1.799 0.599 4.004 1.00 0.00 H new ATOM 570 N PRO A 392 -4.981 3.568 1.520 1.00 0.00 N ATOM 571 CA PRO A 392 -5.627 4.849 1.243 1.00 0.00 C ATOM 572 C PRO A 392 -7.108 4.666 0.958 1.00 0.00 C ATOM 573 O PRO A 392 -7.931 5.523 1.284 1.00 0.00 O ATOM 574 CB PRO A 392 -4.900 5.366 -0.003 1.00 0.00 C ATOM 575 CG PRO A 392 -4.168 4.198 -0.551 1.00 0.00 C ATOM 576 CD PRO A 392 -3.836 3.350 0.627 1.00 0.00 C ATOM 0 HA PRO A 392 -5.566 5.536 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.606 5.763 -0.732 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.214 6.175 0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.781 3.652 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.266 4.511 -1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.731 2.300 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.898 3.653 1.092 1.00 0.00 H new ATOM 584 N CYS A 393 -7.436 3.533 0.348 1.00 0.00 N ATOM 585 CA CYS A 393 -8.814 3.212 0.015 1.00 0.00 C ATOM 586 C CYS A 393 -9.634 2.990 1.283 1.00 0.00 C ATOM 587 O CYS A 393 -9.254 3.429 2.369 1.00 0.00 O ATOM 588 CB CYS A 393 -8.856 1.950 -0.851 1.00 0.00 C ATOM 589 SG CYS A 393 -7.698 1.953 -2.260 1.00 0.00 S ATOM 0 H CYS A 393 -6.761 2.819 0.074 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.242 4.049 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.639 1.087 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.869 1.820 -1.231 1.00 0.00 H new ATOM 594 N LYS A 394 -10.749 2.288 1.136 1.00 0.00 N ATOM 595 CA LYS A 394 -11.618 1.980 2.264 1.00 0.00 C ATOM 596 C LYS A 394 -12.535 0.813 1.927 1.00 0.00 C ATOM 597 O LYS A 394 -13.309 0.868 0.970 1.00 0.00 O ATOM 598 CB LYS A 394 -12.443 3.205 2.667 1.00 0.00 C ATOM 599 CG LYS A 394 -13.376 2.945 3.840 1.00 0.00 C ATOM 600 CD LYS A 394 -14.091 4.210 4.286 1.00 0.00 C ATOM 601 CE LYS A 394 -13.117 5.235 4.846 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.817 6.448 5.355 1.00 0.00 N ATOM 0 H LYS A 394 -11.074 1.919 0.242 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.990 1.698 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.767 4.021 2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.031 3.536 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.112 2.192 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.805 2.537 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.629 4.642 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.834 3.961 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.540 4.784 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.408 5.524 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.686 7.232 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.832 6.246 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -13.422 6.714 6.280 1.00 0.00 H new ATOM 616 N TRP A 395 -12.426 -0.248 2.715 1.00 0.00 N ATOM 617 CA TRP A 395 -13.226 -1.445 2.506 1.00 0.00 C ATOM 618 C TRP A 395 -14.650 -1.259 3.021 1.00 0.00 C ATOM 619 O TRP A 395 -14.859 -0.858 4.166 1.00 0.00 O ATOM 620 CB TRP A 395 -12.570 -2.635 3.210 1.00 0.00 C ATOM 621 CG TRP A 395 -13.209 -3.953 2.894 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.761 -4.831 3.783 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.346 -4.552 1.601 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.240 -5.935 3.120 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.996 -5.789 1.780 1.00 0.00 C ATOM 626 CE3 TRP A 395 -12.986 -4.164 0.306 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.291 -6.637 0.716 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.280 -5.007 -0.749 1.00 0.00 C ATOM 629 CH2 TRP A 395 -13.927 -6.231 -0.538 1.00 0.00 C ATOM 0 H TRP A 395 -11.788 -0.303 3.509 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.277 -1.635 1.434 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.517 -2.676 2.930 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.607 -2.473 4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.813 -4.680 4.851 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.702 -6.734 3.555 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.487 -3.222 0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.790 -7.582 0.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.006 -4.717 -1.753 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.143 -6.868 -1.383 1.00 0.00 H new ATOM 640 N HIS A 396 -15.627 -1.570 2.173 1.00 0.00 N ATOM 641 CA HIS A 396 -17.032 -1.456 2.551 1.00 0.00 C ATOM 642 C HIS A 396 -17.657 -2.839 2.674 1.00 0.00 C ATOM 643 O HIS A 396 -17.808 -3.555 1.681 1.00 0.00 O ATOM 644 CB HIS A 396 -17.802 -0.617 1.528 1.00 0.00 C ATOM 645 CG HIS A 396 -17.346 0.808 1.454 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.370 1.663 2.534 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.856 1.529 0.417 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.919 2.849 2.166 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.599 2.794 0.886 1.00 0.00 N ATOM 0 H HIS A 396 -15.472 -1.902 1.221 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.088 -0.955 3.518 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.698 -1.074 0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.863 -0.638 1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.697 1.175 -0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.828 3.716 2.804 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.222 3.565 0.335 1.00 0.00 H new ATOM 658 N ASN A 397 -18.006 -3.210 3.901 1.00 0.00 N ATOM 659 CA ASN A 397 -18.604 -4.512 4.177 1.00 0.00 C ATOM 660 C ASN A 397 -20.085 -4.539 3.818 1.00 0.00 C ATOM 661 O ASN A 397 -20.815 -3.577 4.063 1.00 0.00 O ATOM 662 CB ASN A 397 -18.421 -4.875 5.650 1.00 0.00 C ATOM 663 CG ASN A 397 -19.051 -3.856 6.579 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.685 -2.680 6.569 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.002 -4.302 7.389 1.00 0.00 N ATOM 0 H ASN A 397 -17.884 -2.623 4.726 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.094 -5.247 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.861 -5.854 5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.357 -4.956 5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.461 -3.662 8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.274 -5.285 7.364 1.00 0.00 H new ATOM 672 N ASP A 398 -20.519 -5.658 3.248 1.00 0.00 N ATOM 673 CA ASP A 398 -21.913 -5.846 2.860 1.00 0.00 C ATOM 674 C ASP A 398 -22.369 -4.747 1.901 1.00 0.00 C ATOM 675 O ASP A 398 -23.492 -4.251 1.992 1.00 0.00 O ATOM 676 CB ASP A 398 -22.808 -5.876 4.102 1.00 0.00 C ATOM 677 CG ASP A 398 -24.161 -6.511 3.837 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.922 -5.975 3.004 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.460 -7.549 4.463 1.00 0.00 O ATOM 0 H ASP A 398 -19.918 -6.456 3.043 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.997 -6.801 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.302 -6.427 4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.954 -4.858 4.464 1.00 0.00 H new ATOM 684 N ALA A 399 -21.495 -4.380 0.970 1.00 0.00 N ATOM 685 CA ALA A 399 -21.818 -3.357 -0.018 1.00 0.00 C ATOM 686 C ALA A 399 -22.545 -3.981 -1.201 1.00 0.00 C ATOM 687 O ALA A 399 -22.311 -3.614 -2.352 1.00 0.00 O ATOM 688 CB ALA A 399 -20.553 -2.658 -0.484 1.00 0.00 C ATOM 0 H ALA A 399 -20.559 -4.775 0.879 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.473 -2.618 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.808 -1.897 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.062 -2.188 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.879 -3.387 -0.934 1.00 0.00 H new ATOM 694 N GLU A 400 -23.405 -4.950 -0.891 1.00 0.00 N ATOM 695 CA GLU A 400 -24.173 -5.686 -1.893 1.00 0.00 C ATOM 696 C GLU A 400 -23.286 -6.726 -2.565 1.00 0.00 C ATOM 697 O GLU A 400 -23.757 -7.774 -3.005 1.00 0.00 O ATOM 698 CB GLU A 400 -24.781 -4.744 -2.937 1.00 0.00 C ATOM 699 CG GLU A 400 -25.748 -3.729 -2.351 1.00 0.00 C ATOM 700 CD GLU A 400 -26.350 -2.819 -3.404 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.580 -2.098 -4.073 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.588 -2.830 -3.561 1.00 0.00 O ATOM 0 H GLU A 400 -23.589 -5.248 0.067 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.996 -6.190 -1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.977 -4.214 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.301 -5.337 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.548 -4.254 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.228 -3.124 -1.608 1.00 0.00 H new ATOM 709 N ASN A 401 -21.994 -6.418 -2.622 1.00 0.00 N ATOM 710 CA ASN A 401 -20.999 -7.295 -3.222 1.00 0.00 C ATOM 711 C ASN A 401 -19.608 -6.876 -2.768 1.00 0.00 C ATOM 712 O ASN A 401 -18.607 -7.206 -3.406 1.00 0.00 O ATOM 713 CB ASN A 401 -21.077 -7.207 -4.743 1.00 0.00 C ATOM 714 CG ASN A 401 -22.348 -7.803 -5.305 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.565 -9.013 -5.244 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.207 -6.946 -5.839 1.00 0.00 N ATOM 0 H ASN A 401 -21.608 -5.550 -2.251 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.195 -8.320 -2.908 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.008 -6.162 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.219 -7.721 -5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.091 -7.282 -6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.984 -5.951 -5.867 1.00 0.00 H new ATOM 723 N LYS A 402 -19.566 -6.126 -1.668 1.00 0.00 N ATOM 724 CA LYS A 402 -18.310 -5.622 -1.114 1.00 0.00 C ATOM 725 C LYS A 402 -17.676 -4.629 -2.082 1.00 0.00 C ATOM 726 O LYS A 402 -17.519 -4.922 -3.267 1.00 0.00 O ATOM 727 CB LYS A 402 -17.338 -6.769 -0.816 1.00 0.00 C ATOM 728 CG LYS A 402 -17.761 -7.658 0.346 1.00 0.00 C ATOM 729 CD LYS A 402 -19.014 -8.457 0.023 1.00 0.00 C ATOM 730 CE LYS A 402 -19.436 -9.329 1.193 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.647 -10.135 0.877 1.00 0.00 N ATOM 0 H LYS A 402 -20.394 -5.852 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.529 -5.115 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.233 -7.384 -1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.355 -6.351 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.949 -8.341 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.940 -7.042 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.825 -7.776 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.833 -9.082 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.617 -9.995 1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.635 -8.700 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.902 -10.716 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -21.436 -9.499 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.450 -10.754 0.065 1.00 0.00 H new ATOM 745 N LYS A 403 -17.332 -3.443 -1.585 1.00 0.00 N ATOM 746 CA LYS A 403 -16.745 -2.416 -2.440 1.00 0.00 C ATOM 747 C LYS A 403 -15.626 -1.646 -1.746 1.00 0.00 C ATOM 748 O LYS A 403 -15.756 -1.237 -0.593 1.00 0.00 O ATOM 749 CB LYS A 403 -17.831 -1.436 -2.889 1.00 0.00 C ATOM 750 CG LYS A 403 -18.950 -2.082 -3.689 1.00 0.00 C ATOM 751 CD LYS A 403 -18.454 -2.612 -5.029 1.00 0.00 C ATOM 752 CE LYS A 403 -17.877 -1.502 -5.895 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.881 -0.441 -6.184 1.00 0.00 N ATOM 0 H LYS A 403 -17.448 -3.172 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.310 -2.924 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.258 -0.954 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.373 -0.652 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.384 -2.899 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.744 -1.354 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.693 -3.374 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.277 -3.095 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.017 -1.060 -5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.516 -1.924 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.506 0.204 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.758 -0.879 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.081 0.094 -5.315 1.00 0.00 H new ATOM 767 N CYS A 404 -14.536 -1.428 -2.477 1.00 0.00 N ATOM 768 CA CYS A 404 -13.395 -0.679 -1.965 1.00 0.00 C ATOM 769 C CYS A 404 -13.322 0.676 -2.668 1.00 0.00 C ATOM 770 O CYS A 404 -13.396 0.744 -3.895 1.00 0.00 O ATOM 771 CB CYS A 404 -12.096 -1.461 -2.189 1.00 0.00 C ATOM 772 SG CYS A 404 -10.620 -0.690 -1.447 1.00 0.00 S ATOM 0 H CYS A 404 -14.420 -1.763 -3.433 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.521 -0.525 -0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.214 -2.464 -1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.933 -1.573 -3.261 1.00 0.00 H new ATOM 777 N THR A 405 -13.195 1.753 -1.897 1.00 0.00 N ATOM 778 CA THR A 405 -13.138 3.092 -2.478 1.00 0.00 C ATOM 779 C THR A 405 -12.107 3.975 -1.783 1.00 0.00 C ATOM 780 O THR A 405 -11.935 3.914 -0.566 1.00 0.00 O ATOM 781 CB THR A 405 -14.508 3.790 -2.415 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.919 3.943 -1.051 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.556 2.994 -3.177 1.00 0.00 C ATOM 0 H THR A 405 -13.130 1.727 -0.879 1.00 0.00 H new ATOM 0 HA THR A 405 -12.843 2.957 -3.519 1.00 0.00 H new ATOM 0 HB THR A 405 -14.411 4.772 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.338 4.821 -0.932 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.516 3.507 -3.118 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.256 2.903 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.648 2.000 -2.738 1.00 0.00 H new ATOM 791 N LEU A 406 -11.428 4.797 -2.578 1.00 0.00 N ATOM 792 CA LEU A 406 -10.411 5.704 -2.070 1.00 0.00 C ATOM 793 C LEU A 406 -11.030 6.786 -1.198 1.00 0.00 C ATOM 794 O LEU A 406 -12.111 7.298 -1.490 1.00 0.00 O ATOM 795 CB LEU A 406 -9.643 6.331 -3.236 1.00 0.00 C ATOM 796 CG LEU A 406 -8.426 7.185 -2.870 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.841 8.609 -2.546 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.665 6.569 -1.708 1.00 0.00 C ATOM 0 H LEU A 406 -11.568 4.851 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.717 5.133 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.312 5.530 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.335 6.950 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.763 7.214 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.959 9.196 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.331 9.051 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.531 8.604 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.805 7.192 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.320 6.501 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.324 5.571 -1.985 1.00 0.00 H new ATOM 810 N ASP A 407 -10.330 7.124 -0.128 1.00 0.00 N ATOM 811 CA ASP A 407 -10.795 8.146 0.802 1.00 0.00 C ATOM 812 C ASP A 407 -9.655 9.092 1.169 1.00 0.00 C ATOM 813 O ASP A 407 -8.552 8.654 1.495 1.00 0.00 O ATOM 814 CB ASP A 407 -11.373 7.488 2.058 1.00 0.00 C ATOM 815 CG ASP A 407 -11.972 8.493 3.022 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.219 9.339 3.543 1.00 0.00 O ATOM 817 OD2 ASP A 407 -13.199 8.436 3.252 1.00 0.00 O ATOM 0 H ASP A 407 -9.434 6.705 0.121 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.580 8.729 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.139 6.769 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.587 6.929 2.565 1.00 0.00 H new ATOM 822 N LYS A 408 -9.928 10.393 1.099 1.00 0.00 N ATOM 823 CA LYS A 408 -8.924 11.410 1.408 1.00 0.00 C ATOM 824 C LYS A 408 -8.467 11.326 2.861 1.00 0.00 C ATOM 825 O LYS A 408 -7.270 11.341 3.144 1.00 0.00 O ATOM 826 CB LYS A 408 -9.481 12.806 1.121 1.00 0.00 C ATOM 827 CG LYS A 408 -9.886 13.016 -0.330 1.00 0.00 C ATOM 828 CD LYS A 408 -10.456 14.409 -0.557 1.00 0.00 C ATOM 829 CE LYS A 408 -9.427 15.491 -0.273 1.00 0.00 C ATOM 830 NZ LYS A 408 -9.974 16.856 -0.511 1.00 0.00 N ATOM 0 H LYS A 408 -10.837 10.769 0.831 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.059 11.224 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.347 12.980 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.731 13.549 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.020 12.867 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.627 12.268 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.802 14.497 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.325 14.556 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.091 15.410 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -8.553 15.335 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -9.241 17.564 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -10.271 16.943 -1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.793 17.015 0.110 1.00 0.00 H new ATOM 844 N GLU A 409 -9.425 11.248 3.777 1.00 0.00 N ATOM 845 CA GLU A 409 -9.123 11.172 5.202 1.00 0.00 C ATOM 846 C GLU A 409 -8.258 9.956 5.524 1.00 0.00 C ATOM 847 O GLU A 409 -7.357 10.029 6.360 1.00 0.00 O ATOM 848 CB GLU A 409 -10.418 11.122 6.013 1.00 0.00 C ATOM 849 CG GLU A 409 -10.190 11.090 7.515 1.00 0.00 C ATOM 850 CD GLU A 409 -11.484 11.058 8.305 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.564 11.043 7.677 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.417 11.049 9.552 1.00 0.00 O ATOM 0 H GLU A 409 -10.421 11.236 3.558 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.562 12.066 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.027 11.991 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.987 10.239 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.593 10.214 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.612 11.966 7.809 1.00 0.00 H new ATOM 859 N GLU A 410 -8.539 8.836 4.865 1.00 0.00 N ATOM 860 CA GLU A 410 -7.784 7.611 5.094 1.00 0.00 C ATOM 861 C GLU A 410 -6.382 7.714 4.498 1.00 0.00 C ATOM 862 O GLU A 410 -5.401 7.317 5.126 1.00 0.00 O ATOM 863 CB GLU A 410 -8.523 6.414 4.492 1.00 0.00 C ATOM 864 CG GLU A 410 -7.870 5.073 4.796 1.00 0.00 C ATOM 865 CD GLU A 410 -7.864 4.737 6.277 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.416 5.528 7.072 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.311 3.678 6.641 1.00 0.00 O ATOM 0 H GLU A 410 -9.282 8.752 4.171 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.689 7.467 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.546 6.403 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.583 6.542 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.396 4.288 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.844 5.083 4.427 1.00 0.00 H new ATOM 874 N ALA A 411 -6.299 8.245 3.283 1.00 0.00 N ATOM 875 CA ALA A 411 -5.019 8.397 2.597 1.00 0.00 C ATOM 876 C ALA A 411 -4.074 9.308 3.372 1.00 0.00 C ATOM 877 O ALA A 411 -2.899 8.990 3.542 1.00 0.00 O ATOM 878 CB ALA A 411 -5.235 8.934 1.191 1.00 0.00 C ATOM 0 H ALA A 411 -7.103 8.578 2.752 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.555 7.412 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.272 9.042 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.860 8.240 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.728 9.905 1.244 1.00 0.00 H new ATOM 884 N LYS A 412 -4.589 10.440 3.838 1.00 0.00 N ATOM 885 CA LYS A 412 -3.780 11.388 4.592 1.00 0.00 C ATOM 886 C LYS A 412 -3.314 10.774 5.909 1.00 0.00 C ATOM 887 O LYS A 412 -2.189 11.005 6.346 1.00 0.00 O ATOM 888 CB LYS A 412 -4.561 12.679 4.853 1.00 0.00 C ATOM 889 CG LYS A 412 -5.826 12.480 5.672 1.00 0.00 C ATOM 890 CD LYS A 412 -6.579 13.790 5.867 1.00 0.00 C ATOM 891 CE LYS A 412 -5.761 14.797 6.662 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.488 16.084 6.845 1.00 0.00 N ATOM 0 H LYS A 412 -5.560 10.722 3.707 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.901 11.631 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.912 13.386 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.826 13.131 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.473 11.758 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.569 12.059 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.831 14.213 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.519 13.596 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.517 14.377 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.817 14.983 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.896 16.742 7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.699 16.499 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.377 15.911 7.357 1.00 0.00 H new