USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 394 LYS NZ :NH3+ -113:sc= -3.41! (180deg=-5.72!) USER MOD Set 1.2: A 396 HIS : no HE2:sc= -0.956 K(o=-4.4,f=-6) USER MOD Set 1.3: A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -2.3 F(o=-6!,f=-2.3) USER MOD Single : A 383 LYS NZ :NH3+ 153:sc= -3.52! (180deg=-5.6!) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 390 LYS NZ :NH3+ 167:sc= -0.0377 (180deg=-0.231) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 397 ASN : amide:sc= 0.448 K(o=0.45,f=-3.3!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.646 F(o=-4.1!,f=-0.65) USER MOD Single : A 402 LYS NZ :NH3+ 166:sc= -0.0522 (180deg=-0.291) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -3.086 5.968 -3.395 1.00 0.00 N ATOM 340 CA GLU A 376 -4.244 6.524 -2.710 1.00 0.00 C ATOM 341 C GLU A 376 -5.059 7.430 -3.620 1.00 0.00 C ATOM 342 O GLU A 376 -4.987 8.657 -3.542 1.00 0.00 O ATOM 343 CB GLU A 376 -3.799 7.285 -1.466 1.00 0.00 C ATOM 344 CG GLU A 376 -2.764 8.356 -1.758 1.00 0.00 C ATOM 345 CD GLU A 376 -2.161 8.952 -0.501 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.533 8.510 0.606 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.313 9.861 -0.623 1.00 0.00 O ATOM 0 HA GLU A 376 -4.886 5.694 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.669 7.747 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.388 6.579 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.969 7.929 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.226 9.150 -2.345 1.00 0.00 H new ATOM 354 N THR A 377 -5.848 6.805 -4.469 1.00 0.00 N ATOM 355 CA THR A 377 -6.707 7.523 -5.394 1.00 0.00 C ATOM 356 C THR A 377 -8.035 6.807 -5.537 1.00 0.00 C ATOM 357 O THR A 377 -8.093 5.578 -5.548 1.00 0.00 O ATOM 358 CB THR A 377 -6.068 7.674 -6.784 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.775 6.385 -7.334 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.793 8.502 -6.710 1.00 0.00 C ATOM 0 H THR A 377 -5.914 5.790 -4.539 1.00 0.00 H new ATOM 0 HA THR A 377 -6.857 8.520 -4.979 1.00 0.00 H new ATOM 0 HB THR A 377 -6.779 8.190 -7.429 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.370 6.492 -8.220 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.361 8.594 -7.706 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.025 9.494 -6.322 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.079 8.012 -6.048 1.00 0.00 H new ATOM 368 N GLU A 378 -9.101 7.585 -5.639 1.00 0.00 N ATOM 369 CA GLU A 378 -10.437 7.027 -5.774 1.00 0.00 C ATOM 370 C GLU A 378 -10.497 6.094 -6.970 1.00 0.00 C ATOM 371 O GLU A 378 -11.148 5.051 -6.933 1.00 0.00 O ATOM 372 CB GLU A 378 -11.467 8.147 -5.932 1.00 0.00 C ATOM 373 CG GLU A 378 -12.904 7.654 -5.979 1.00 0.00 C ATOM 374 CD GLU A 378 -13.902 8.784 -6.142 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.818 9.508 -7.156 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.766 8.946 -5.254 1.00 0.00 O ATOM 0 H GLU A 378 -9.067 8.604 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.670 6.461 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.359 8.847 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.252 8.700 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.017 6.952 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.127 7.106 -5.063 1.00 0.00 H new ATOM 383 N GLY A 379 -9.812 6.488 -8.031 1.00 0.00 N ATOM 384 CA GLY A 379 -9.791 5.696 -9.241 1.00 0.00 C ATOM 385 C GLY A 379 -9.143 4.337 -9.071 1.00 0.00 C ATOM 386 O GLY A 379 -9.577 3.367 -9.687 1.00 0.00 O ATOM 0 H GLY A 379 -9.266 7.349 -8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -10.814 5.559 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.259 6.248 -10.016 1.00 0.00 H new ATOM 390 N SER A 380 -8.100 4.257 -8.252 1.00 0.00 N ATOM 391 CA SER A 380 -7.409 2.991 -8.042 1.00 0.00 C ATOM 392 C SER A 380 -8.189 2.070 -7.109 1.00 0.00 C ATOM 393 O SER A 380 -8.354 0.880 -7.384 1.00 0.00 O ATOM 394 CB SER A 380 -6.015 3.238 -7.479 1.00 0.00 C ATOM 395 OG SER A 380 -5.336 2.018 -7.236 1.00 0.00 O ATOM 0 H SER A 380 -7.718 5.044 -7.728 1.00 0.00 H new ATOM 0 HA SER A 380 -7.328 2.497 -9.010 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.440 3.844 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.090 3.806 -6.552 1.00 0.00 H new ATOM 0 HG SER A 380 -4.444 2.206 -6.877 1.00 0.00 H new ATOM 401 N CYS A 381 -8.651 2.630 -6.001 1.00 0.00 N ATOM 402 CA CYS A 381 -9.395 1.870 -5.000 1.00 0.00 C ATOM 403 C CYS A 381 -10.645 1.214 -5.577 1.00 0.00 C ATOM 404 O CYS A 381 -10.889 0.029 -5.352 1.00 0.00 O ATOM 405 CB CYS A 381 -9.775 2.783 -3.841 1.00 0.00 C ATOM 406 SG CYS A 381 -8.345 3.488 -2.966 1.00 0.00 S ATOM 0 H CYS A 381 -8.524 3.615 -5.769 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.745 1.069 -4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.395 3.596 -4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.383 2.221 -3.132 1.00 0.00 H new ATOM 411 N ASN A 382 -11.439 1.987 -6.310 1.00 0.00 N ATOM 412 CA ASN A 382 -12.668 1.470 -6.903 1.00 0.00 C ATOM 413 C ASN A 382 -12.393 0.217 -7.725 1.00 0.00 C ATOM 414 O ASN A 382 -13.240 -0.671 -7.823 1.00 0.00 O ATOM 415 CB ASN A 382 -13.326 2.533 -7.785 1.00 0.00 C ATOM 416 CG ASN A 382 -13.651 3.811 -7.032 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.342 3.842 -5.739 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.177 4.763 -7.608 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.255 2.971 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.347 1.210 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.663 2.767 -8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.243 2.126 -8.212 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.398 4.699 -8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.392 5.616 -7.092 1.00 0.00 H new ATOM 425 N LYS A 383 -11.206 0.156 -8.316 1.00 0.00 N ATOM 426 CA LYS A 383 -10.820 -0.984 -9.135 1.00 0.00 C ATOM 427 C LYS A 383 -10.483 -2.194 -8.272 1.00 0.00 C ATOM 428 O LYS A 383 -10.804 -3.329 -8.628 1.00 0.00 O ATOM 429 CB LYS A 383 -9.626 -0.613 -10.014 1.00 0.00 C ATOM 430 CG LYS A 383 -9.836 0.670 -10.803 1.00 0.00 C ATOM 431 CD LYS A 383 -11.051 0.592 -11.720 1.00 0.00 C ATOM 432 CE LYS A 383 -10.833 -0.368 -12.883 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.707 -1.782 -12.434 1.00 0.00 N ATOM 0 H LYS A 383 -10.495 0.883 -8.243 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.665 -1.250 -9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.741 -0.505 -9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.427 -1.430 -10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.958 1.504 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.947 0.878 -11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.919 0.271 -11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.276 1.585 -12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.666 -0.284 -13.581 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -9.932 -0.080 -13.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.013 -2.417 -13.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.715 -1.983 -12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.304 -1.935 -11.597 1.00 0.00 H new ATOM 447 N LYS A 384 -9.816 -1.949 -7.146 1.00 0.00 N ATOM 448 CA LYS A 384 -9.417 -3.009 -6.243 1.00 0.00 C ATOM 449 C LYS A 384 -10.596 -3.842 -5.775 1.00 0.00 C ATOM 450 O LYS A 384 -11.738 -3.640 -6.188 1.00 0.00 O ATOM 451 CB LYS A 384 -8.713 -2.405 -5.037 1.00 0.00 C ATOM 452 CG LYS A 384 -7.629 -1.419 -5.416 1.00 0.00 C ATOM 453 CD LYS A 384 -6.550 -2.066 -6.268 1.00 0.00 C ATOM 454 CE LYS A 384 -6.858 -1.967 -7.755 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.710 -2.414 -8.592 1.00 0.00 N ATOM 0 H LYS A 384 -9.542 -1.015 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.744 -3.671 -6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.448 -1.904 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.276 -3.205 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.071 -0.585 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.180 -1.007 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.592 -1.587 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.448 -3.115 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.733 -2.574 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.110 -0.937 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.961 -2.331 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.881 -1.818 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.485 -3.405 -8.372 1.00 0.00 H new ATOM 469 N ASP A 385 -10.291 -4.773 -4.892 1.00 0.00 N ATOM 470 CA ASP A 385 -11.286 -5.660 -4.316 1.00 0.00 C ATOM 471 C ASP A 385 -10.921 -5.962 -2.870 1.00 0.00 C ATOM 472 O ASP A 385 -10.238 -5.170 -2.225 1.00 0.00 O ATOM 473 CB ASP A 385 -11.373 -6.961 -5.118 1.00 0.00 C ATOM 474 CG ASP A 385 -11.879 -6.748 -6.533 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.184 -6.074 -7.320 1.00 0.00 O ATOM 476 OD2 ASP A 385 -12.974 -7.257 -6.852 1.00 0.00 O ATOM 0 H ASP A 385 -9.343 -4.937 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.259 -5.170 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.388 -7.426 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -12.034 -7.657 -4.602 1.00 0.00 H new ATOM 481 N GLN A 386 -11.356 -7.105 -2.360 1.00 0.00 N ATOM 482 CA GLN A 386 -11.041 -7.476 -0.989 1.00 0.00 C ATOM 483 C GLN A 386 -9.535 -7.649 -0.828 1.00 0.00 C ATOM 484 O GLN A 386 -8.899 -6.959 -0.030 1.00 0.00 O ATOM 485 CB GLN A 386 -11.765 -8.770 -0.609 1.00 0.00 C ATOM 486 CG GLN A 386 -11.574 -9.175 0.843 1.00 0.00 C ATOM 487 CD GLN A 386 -12.304 -10.459 1.189 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.028 -11.516 0.623 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.246 -10.372 2.121 1.00 0.00 N ATOM 0 H GLN A 386 -11.922 -7.785 -2.868 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.378 -6.681 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.830 -8.651 -0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.410 -9.576 -1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.510 -9.300 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.929 -8.373 1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.443 -9.475 2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.773 -11.202 2.393 1.00 0.00 H new ATOM 498 N ASN A 387 -8.974 -8.569 -1.606 1.00 0.00 N ATOM 499 CA ASN A 387 -7.552 -8.850 -1.577 1.00 0.00 C ATOM 500 C ASN A 387 -6.735 -7.753 -2.252 1.00 0.00 C ATOM 501 O ASN A 387 -5.567 -7.961 -2.581 1.00 0.00 O ATOM 502 CB ASN A 387 -7.298 -10.169 -2.290 1.00 0.00 C ATOM 503 CG ASN A 387 -7.688 -11.372 -1.458 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.838 -11.510 -1.038 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.726 -12.252 -1.223 1.00 0.00 N ATOM 0 H ASN A 387 -9.496 -9.138 -2.272 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.240 -8.901 -0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.857 -10.184 -3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.241 -10.239 -2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.923 -13.088 -0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.789 -12.094 -1.592 1.00 0.00 H new ATOM 512 N GLU A 388 -7.343 -6.592 -2.465 1.00 0.00 N ATOM 513 CA GLU A 388 -6.641 -5.490 -3.111 1.00 0.00 C ATOM 514 C GLU A 388 -7.045 -4.149 -2.518 1.00 0.00 C ATOM 515 O GLU A 388 -6.508 -3.109 -2.902 1.00 0.00 O ATOM 516 CB GLU A 388 -6.905 -5.498 -4.619 1.00 0.00 C ATOM 517 CG GLU A 388 -6.538 -6.814 -5.292 1.00 0.00 C ATOM 518 CD GLU A 388 -6.619 -6.743 -6.805 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.967 -5.666 -7.333 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.335 -7.767 -7.461 1.00 0.00 O ATOM 0 H GLU A 388 -8.308 -6.390 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.574 -5.630 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.960 -5.290 -4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.339 -4.691 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.527 -7.097 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.204 -7.598 -4.933 1.00 0.00 H new ATOM 527 N CYS A 389 -7.977 -4.168 -1.571 1.00 0.00 N ATOM 528 CA CYS A 389 -8.408 -2.934 -0.933 1.00 0.00 C ATOM 529 C CYS A 389 -7.254 -2.388 -0.098 1.00 0.00 C ATOM 530 O CYS A 389 -6.981 -2.872 1.001 1.00 0.00 O ATOM 531 CB CYS A 389 -9.651 -3.178 -0.073 1.00 0.00 C ATOM 532 SG CYS A 389 -10.586 -1.668 0.340 1.00 0.00 S ATOM 0 H CYS A 389 -8.441 -5.011 -1.234 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.680 -2.199 -1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.312 -3.868 -0.598 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.348 -3.668 0.852 1.00 0.00 H new ATOM 537 N LYS A 390 -6.552 -1.405 -0.655 1.00 0.00 N ATOM 538 CA LYS A 390 -5.386 -0.814 0.001 1.00 0.00 C ATOM 539 C LYS A 390 -5.759 0.018 1.224 1.00 0.00 C ATOM 540 O LYS A 390 -6.917 0.390 1.413 1.00 0.00 O ATOM 541 CB LYS A 390 -4.606 0.030 -1.001 1.00 0.00 C ATOM 542 CG LYS A 390 -4.072 -0.773 -2.179 1.00 0.00 C ATOM 543 CD LYS A 390 -3.313 0.106 -3.162 1.00 0.00 C ATOM 544 CE LYS A 390 -2.067 0.711 -2.532 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.104 -0.333 -2.085 1.00 0.00 N ATOM 0 H LYS A 390 -6.771 -0.998 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.762 -1.632 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.251 0.825 -1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.772 0.510 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.414 -1.562 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.901 -1.261 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.030 -0.484 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.966 0.904 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.580 1.369 -3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.354 1.327 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.188 0.110 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.472 -0.803 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.978 -1.036 -2.841 1.00 0.00 H new ATOM 559 N SER A 391 -4.755 0.286 2.062 1.00 0.00 N ATOM 560 CA SER A 391 -4.943 1.056 3.291 1.00 0.00 C ATOM 561 C SER A 391 -5.682 2.370 3.034 1.00 0.00 C ATOM 562 O SER A 391 -6.696 2.640 3.678 1.00 0.00 O ATOM 563 CB SER A 391 -3.593 1.333 3.959 1.00 0.00 C ATOM 564 OG SER A 391 -3.758 2.078 5.154 1.00 0.00 O ATOM 0 H SER A 391 -3.795 -0.023 1.908 1.00 0.00 H new ATOM 0 HA SER A 391 -5.559 0.455 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.093 0.390 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.949 1.881 3.271 1.00 0.00 H new ATOM 0 HG SER A 391 -2.882 2.240 5.562 1.00 0.00 H new ATOM 570 N PRO A 392 -5.211 3.209 2.085 1.00 0.00 N ATOM 571 CA PRO A 392 -5.870 4.478 1.768 1.00 0.00 C ATOM 572 C PRO A 392 -7.333 4.259 1.419 1.00 0.00 C ATOM 573 O PRO A 392 -8.188 5.108 1.675 1.00 0.00 O ATOM 574 CB PRO A 392 -5.095 4.984 0.541 1.00 0.00 C ATOM 575 CG PRO A 392 -4.383 3.789 0.017 1.00 0.00 C ATOM 576 CD PRO A 392 -4.026 3.008 1.233 1.00 0.00 C ATOM 0 HA PRO A 392 -5.861 5.179 2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.769 5.402 -0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.394 5.773 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.018 3.211 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.495 4.072 -0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.860 1.955 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.117 3.380 1.705 1.00 0.00 H new ATOM 584 N CYS A 393 -7.599 3.103 0.827 1.00 0.00 N ATOM 585 CA CYS A 393 -8.943 2.728 0.422 1.00 0.00 C ATOM 586 C CYS A 393 -9.751 2.212 1.608 1.00 0.00 C ATOM 587 O CYS A 393 -9.206 1.606 2.530 1.00 0.00 O ATOM 588 CB CYS A 393 -8.875 1.641 -0.642 1.00 0.00 C ATOM 589 SG CYS A 393 -7.613 1.922 -1.924 1.00 0.00 S ATOM 0 H CYS A 393 -6.890 2.401 0.615 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.434 3.615 0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.676 0.686 -0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.850 1.557 -1.121 1.00 0.00 H new ATOM 594 N LYS A 394 -11.058 2.437 1.561 1.00 0.00 N ATOM 595 CA LYS A 394 -11.954 1.974 2.614 1.00 0.00 C ATOM 596 C LYS A 394 -12.686 0.717 2.172 1.00 0.00 C ATOM 597 O LYS A 394 -13.363 0.711 1.144 1.00 0.00 O ATOM 598 CB LYS A 394 -12.973 3.054 2.982 1.00 0.00 C ATOM 599 CG LYS A 394 -12.382 4.250 3.705 1.00 0.00 C ATOM 600 CD LYS A 394 -13.465 5.190 4.222 1.00 0.00 C ATOM 601 CE LYS A 394 -14.254 5.837 3.090 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.122 4.862 2.372 1.00 0.00 N ATOM 0 H LYS A 394 -11.522 2.938 0.804 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.348 1.750 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.463 3.400 2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.745 2.610 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.771 3.905 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -11.721 4.793 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.147 4.636 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.007 5.967 4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.871 6.640 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.561 6.292 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.772 4.735 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.103 3.949 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -16.098 5.221 2.344 1.00 0.00 H new ATOM 616 N TRP A 395 -12.554 -0.346 2.956 1.00 0.00 N ATOM 617 CA TRP A 395 -13.215 -1.602 2.639 1.00 0.00 C ATOM 618 C TRP A 395 -14.668 -1.576 3.103 1.00 0.00 C ATOM 619 O TRP A 395 -14.970 -1.097 4.196 1.00 0.00 O ATOM 620 CB TRP A 395 -12.479 -2.779 3.279 1.00 0.00 C ATOM 621 CG TRP A 395 -13.083 -4.109 2.942 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.441 -5.091 3.819 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.398 -4.604 1.633 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.964 -6.164 3.139 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.946 -5.891 1.796 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.270 -4.086 0.338 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.366 -6.664 0.718 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.688 -4.856 -0.730 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.230 -6.132 -0.535 1.00 0.00 C ATOM 0 H TRP A 395 -11.998 -0.362 3.811 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.196 -1.729 1.557 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.438 -2.768 2.955 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.477 -2.652 4.362 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.329 -5.033 4.892 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.310 -7.024 3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.852 -3.103 0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.784 -7.649 0.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.595 -4.467 -1.733 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.547 -6.708 -1.391 1.00 0.00 H new ATOM 640 N HIS A 396 -15.563 -2.095 2.268 1.00 0.00 N ATOM 641 CA HIS A 396 -16.982 -2.130 2.602 1.00 0.00 C ATOM 642 C HIS A 396 -17.541 -3.540 2.458 1.00 0.00 C ATOM 643 O HIS A 396 -17.595 -4.092 1.356 1.00 0.00 O ATOM 644 CB HIS A 396 -17.758 -1.159 1.711 1.00 0.00 C ATOM 645 CG HIS A 396 -17.343 0.268 1.884 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.436 0.937 3.088 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.826 1.156 1.003 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.997 2.173 2.938 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.620 2.332 1.683 1.00 0.00 N ATOM 0 H HIS A 396 -15.332 -2.495 1.359 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.095 -1.824 3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.621 -1.446 0.668 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.822 -1.249 1.929 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.789 0.538 3.958 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.615 0.974 -0.040 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.954 2.926 3.711 1.00 0.00 H new ATOM 658 N ASN A 397 -17.952 -4.116 3.585 1.00 0.00 N ATOM 659 CA ASN A 397 -18.508 -5.463 3.609 1.00 0.00 C ATOM 660 C ASN A 397 -20.010 -5.444 3.345 1.00 0.00 C ATOM 661 O ASN A 397 -20.720 -4.548 3.804 1.00 0.00 O ATOM 662 CB ASN A 397 -18.223 -6.129 4.956 1.00 0.00 C ATOM 663 CG ASN A 397 -18.821 -5.361 6.119 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.485 -4.199 6.348 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.712 -6.009 6.861 1.00 0.00 N ATOM 0 H ASN A 397 -17.909 -3.665 4.499 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.030 -6.038 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.624 -7.143 4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.145 -6.213 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.148 -5.544 7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.961 -6.972 6.634 1.00 0.00 H new ATOM 672 N ASP A 398 -20.485 -6.441 2.604 1.00 0.00 N ATOM 673 CA ASP A 398 -21.902 -6.554 2.271 1.00 0.00 C ATOM 674 C ASP A 398 -22.378 -5.305 1.533 1.00 0.00 C ATOM 675 O ASP A 398 -23.490 -4.822 1.747 1.00 0.00 O ATOM 676 CB ASP A 398 -22.731 -6.775 3.542 1.00 0.00 C ATOM 677 CG ASP A 398 -24.112 -7.337 3.255 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.897 -6.671 2.548 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.409 -8.450 3.738 1.00 0.00 O ATOM 0 H ASP A 398 -19.905 -7.187 2.220 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.037 -7.414 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.197 -7.457 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.832 -5.829 4.073 1.00 0.00 H new ATOM 684 N ALA A 399 -21.526 -4.791 0.654 1.00 0.00 N ATOM 685 CA ALA A 399 -21.852 -3.606 -0.129 1.00 0.00 C ATOM 686 C ALA A 399 -22.640 -3.988 -1.372 1.00 0.00 C ATOM 687 O ALA A 399 -22.370 -3.491 -2.467 1.00 0.00 O ATOM 688 CB ALA A 399 -20.582 -2.878 -0.520 1.00 0.00 C ATOM 0 H ALA A 399 -20.601 -5.178 0.465 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.468 -2.945 0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.835 -1.994 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.044 -2.577 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.952 -3.539 -1.116 1.00 0.00 H new ATOM 694 N GLU A 400 -23.591 -4.901 -1.194 1.00 0.00 N ATOM 695 CA GLU A 400 -24.418 -5.403 -2.289 1.00 0.00 C ATOM 696 C GLU A 400 -23.607 -6.366 -3.149 1.00 0.00 C ATOM 697 O GLU A 400 -24.161 -7.201 -3.865 1.00 0.00 O ATOM 698 CB GLU A 400 -24.970 -4.256 -3.142 1.00 0.00 C ATOM 699 CG GLU A 400 -25.833 -3.274 -2.363 1.00 0.00 C ATOM 700 CD GLU A 400 -27.092 -3.910 -1.801 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.973 -4.834 -0.970 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.197 -3.482 -2.193 1.00 0.00 O ATOM 0 H GLU A 400 -23.810 -5.314 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.268 -5.934 -1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.137 -3.716 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.558 -4.673 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.248 -2.854 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.110 -2.446 -3.015 1.00 0.00 H new ATOM 709 N ASN A 401 -22.286 -6.238 -3.053 1.00 0.00 N ATOM 710 CA ASN A 401 -21.359 -7.080 -3.792 1.00 0.00 C ATOM 711 C ASN A 401 -19.923 -6.694 -3.451 1.00 0.00 C ATOM 712 O ASN A 401 -19.017 -6.836 -4.271 1.00 0.00 O ATOM 713 CB ASN A 401 -21.605 -6.950 -5.297 1.00 0.00 C ATOM 714 CG ASN A 401 -21.409 -5.536 -5.824 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.133 -4.587 -4.934 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.515 -5.296 -7.027 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.831 -5.545 -2.459 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.521 -8.119 -3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.931 -7.623 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.621 -7.275 -5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.728 -6.050 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.390 -4.344 -7.370 1.00 0.00 H new ATOM 723 N LYS A 402 -19.739 -6.198 -2.224 1.00 0.00 N ATOM 724 CA LYS A 402 -18.429 -5.771 -1.740 1.00 0.00 C ATOM 725 C LYS A 402 -17.891 -4.611 -2.572 1.00 0.00 C ATOM 726 O LYS A 402 -17.968 -4.630 -3.800 1.00 0.00 O ATOM 727 CB LYS A 402 -17.440 -6.940 -1.765 1.00 0.00 C ATOM 728 CG LYS A 402 -17.861 -8.115 -0.896 1.00 0.00 C ATOM 729 CD LYS A 402 -17.998 -7.713 0.565 1.00 0.00 C ATOM 730 CE LYS A 402 -18.399 -8.895 1.434 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.397 -9.995 1.374 1.00 0.00 N ATOM 0 H LYS A 402 -20.491 -6.083 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.546 -5.431 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.323 -7.283 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.464 -6.586 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.811 -8.511 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.127 -8.916 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.053 -7.303 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.743 -6.923 0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.513 -8.564 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.370 -9.270 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.576 -10.670 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.474 -10.485 0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.441 -9.599 1.475 1.00 0.00 H new ATOM 745 N LYS A 403 -17.344 -3.596 -1.905 1.00 0.00 N ATOM 746 CA LYS A 403 -16.803 -2.443 -2.618 1.00 0.00 C ATOM 747 C LYS A 403 -15.673 -1.773 -1.845 1.00 0.00 C ATOM 748 O LYS A 403 -15.697 -1.697 -0.616 1.00 0.00 O ATOM 749 CB LYS A 403 -17.899 -1.415 -2.910 1.00 0.00 C ATOM 750 CG LYS A 403 -18.383 -0.664 -1.679 1.00 0.00 C ATOM 751 CD LYS A 403 -19.363 0.442 -2.043 1.00 0.00 C ATOM 752 CE LYS A 403 -20.603 -0.104 -2.735 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.545 0.982 -3.122 1.00 0.00 N ATOM 0 H LYS A 403 -17.265 -3.549 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.400 -2.818 -3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -17.524 -0.696 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.747 -1.923 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.861 -1.362 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.529 -0.235 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.657 0.978 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.871 1.163 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.307 -0.662 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.110 -0.805 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.377 0.569 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.847 1.499 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.070 1.638 -3.775 1.00 0.00 H new ATOM 767 N CYS A 404 -14.692 -1.272 -2.588 1.00 0.00 N ATOM 768 CA CYS A 404 -13.548 -0.583 -2.006 1.00 0.00 C ATOM 769 C CYS A 404 -13.392 0.783 -2.674 1.00 0.00 C ATOM 770 O CYS A 404 -13.311 0.874 -3.898 1.00 0.00 O ATOM 771 CB CYS A 404 -12.280 -1.424 -2.193 1.00 0.00 C ATOM 772 SG CYS A 404 -10.781 -0.709 -1.446 1.00 0.00 S ATOM 0 H CYS A 404 -14.668 -1.332 -3.606 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.708 -0.440 -0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.448 -2.412 -1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.107 -1.565 -3.260 1.00 0.00 H new ATOM 777 N THR A 405 -13.374 1.846 -1.871 1.00 0.00 N ATOM 778 CA THR A 405 -13.257 3.201 -2.407 1.00 0.00 C ATOM 779 C THR A 405 -12.302 4.061 -1.583 1.00 0.00 C ATOM 780 O THR A 405 -12.318 4.027 -0.355 1.00 0.00 O ATOM 781 CB THR A 405 -14.630 3.895 -2.466 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.208 3.949 -1.157 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.569 3.157 -3.411 1.00 0.00 C ATOM 0 H THR A 405 -13.438 1.796 -0.854 1.00 0.00 H new ATOM 0 HA THR A 405 -12.855 3.100 -3.415 1.00 0.00 H new ATOM 0 HB THR A 405 -14.485 4.908 -2.841 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.080 4.393 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.533 3.665 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.140 3.143 -4.413 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.708 2.134 -3.061 1.00 0.00 H new ATOM 791 N LEU A 406 -11.471 4.831 -2.281 1.00 0.00 N ATOM 792 CA LEU A 406 -10.492 5.703 -1.643 1.00 0.00 C ATOM 793 C LEU A 406 -11.158 6.725 -0.735 1.00 0.00 C ATOM 794 O LEU A 406 -12.214 7.271 -1.053 1.00 0.00 O ATOM 795 CB LEU A 406 -9.657 6.416 -2.709 1.00 0.00 C ATOM 796 CG LEU A 406 -8.405 7.148 -2.209 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.757 8.490 -1.588 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.642 6.286 -1.219 1.00 0.00 C ATOM 0 H LEU A 406 -11.458 4.867 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.843 5.082 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.350 5.681 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.295 7.138 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.765 7.338 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.847 8.982 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.250 9.117 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.427 8.335 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.757 6.822 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.282 6.058 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.338 5.358 -1.703 1.00 0.00 H new ATOM 810 N ASP A 407 -10.509 6.985 0.388 1.00 0.00 N ATOM 811 CA ASP A 407 -10.999 7.955 1.359 1.00 0.00 C ATOM 812 C ASP A 407 -9.990 9.082 1.523 1.00 0.00 C ATOM 813 O ASP A 407 -8.793 8.834 1.667 1.00 0.00 O ATOM 814 CB ASP A 407 -11.247 7.281 2.709 1.00 0.00 C ATOM 815 CG ASP A 407 -11.848 8.227 3.735 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.135 9.389 3.380 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.035 7.801 4.894 1.00 0.00 O ATOM 0 H ASP A 407 -9.633 6.534 0.653 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.940 8.366 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.915 6.431 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.306 6.887 3.092 1.00 0.00 H new ATOM 822 N LYS A 408 -10.471 10.318 1.497 1.00 0.00 N ATOM 823 CA LYS A 408 -9.595 11.472 1.643 1.00 0.00 C ATOM 824 C LYS A 408 -8.906 11.462 3.004 1.00 0.00 C ATOM 825 O LYS A 408 -7.709 11.725 3.103 1.00 0.00 O ATOM 826 CB LYS A 408 -10.381 12.769 1.451 1.00 0.00 C ATOM 827 CG LYS A 408 -11.528 12.948 2.435 1.00 0.00 C ATOM 828 CD LYS A 408 -12.346 14.193 2.120 1.00 0.00 C ATOM 829 CE LYS A 408 -11.505 15.457 2.202 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.296 16.675 1.874 1.00 0.00 N ATOM 0 H LYS A 408 -11.458 10.546 1.377 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.827 11.415 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.698 13.613 1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.779 12.794 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.174 12.070 2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.132 13.019 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.773 14.104 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.180 14.266 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.091 15.553 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.662 15.377 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.685 17.514 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.670 16.596 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.086 16.767 2.544 1.00 0.00 H new ATOM 844 N GLU A 409 -9.669 11.150 4.049 1.00 0.00 N ATOM 845 CA GLU A 409 -9.130 11.100 5.401 1.00 0.00 C ATOM 846 C GLU A 409 -8.050 10.027 5.516 1.00 0.00 C ATOM 847 O GLU A 409 -6.957 10.285 6.022 1.00 0.00 O ATOM 848 CB GLU A 409 -10.255 10.825 6.401 1.00 0.00 C ATOM 849 CG GLU A 409 -9.783 10.732 7.841 1.00 0.00 C ATOM 850 CD GLU A 409 -9.235 12.045 8.373 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.268 13.050 7.632 1.00 0.00 O ATOM 852 OE2 GLU A 409 -8.776 12.066 9.535 1.00 0.00 O ATOM 0 H GLU A 409 -10.662 10.928 3.983 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.677 12.065 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.000 11.617 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.751 9.893 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.613 10.410 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.011 9.966 7.916 1.00 0.00 H new ATOM 859 N GLU A 410 -8.363 8.827 5.036 1.00 0.00 N ATOM 860 CA GLU A 410 -7.416 7.717 5.075 1.00 0.00 C ATOM 861 C GLU A 410 -6.165 8.055 4.275 1.00 0.00 C ATOM 862 O GLU A 410 -5.046 7.767 4.699 1.00 0.00 O ATOM 863 CB GLU A 410 -8.061 6.445 4.521 1.00 0.00 C ATOM 864 CG GLU A 410 -9.249 5.954 5.335 1.00 0.00 C ATOM 865 CD GLU A 410 -8.865 5.504 6.732 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.658 5.529 7.056 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.771 5.120 7.501 1.00 0.00 O ATOM 0 H GLU A 410 -9.264 8.598 4.616 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.133 7.545 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.386 6.630 3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.310 5.656 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.988 6.752 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.724 5.125 4.810 1.00 0.00 H new ATOM 874 N ALA A 411 -6.367 8.672 3.116 1.00 0.00 N ATOM 875 CA ALA A 411 -5.264 9.061 2.248 1.00 0.00 C ATOM 876 C ALA A 411 -4.331 10.031 2.963 1.00 0.00 C ATOM 877 O ALA A 411 -3.111 9.938 2.841 1.00 0.00 O ATOM 878 CB ALA A 411 -5.801 9.678 0.965 1.00 0.00 C ATOM 0 H ALA A 411 -7.290 8.914 2.755 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.691 8.170 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.968 9.965 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.426 8.951 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.394 10.560 1.206 1.00 0.00 H new ATOM 884 N LYS A 412 -4.918 10.956 3.715 1.00 0.00 N ATOM 885 CA LYS A 412 -4.147 11.941 4.464 1.00 0.00 C ATOM 886 C LYS A 412 -3.217 11.254 5.458 1.00 0.00 C ATOM 887 O LYS A 412 -2.064 11.650 5.619 1.00 0.00 O ATOM 888 CB LYS A 412 -5.087 12.893 5.206 1.00 0.00 C ATOM 889 CG LYS A 412 -5.911 13.781 4.285 1.00 0.00 C ATOM 890 CD LYS A 412 -7.007 14.515 5.045 1.00 0.00 C ATOM 891 CE LYS A 412 -6.439 15.431 6.119 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.513 16.135 6.872 1.00 0.00 N ATOM 0 H LYS A 412 -5.929 11.044 3.822 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.543 12.512 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.762 12.309 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.499 13.523 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.258 14.505 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.358 13.174 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.603 15.102 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.678 13.789 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.833 14.847 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.778 16.165 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -7.085 16.749 7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -8.076 16.713 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.129 15.436 7.333 1.00 0.00 H new