USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=14 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 HE2:sc= -2.14! C(o=-1.4!,f=-4.7!) USER MOD Set 1.2: A 405 THR OG1 : rot -84:sc= 0.752 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.439 USER MOD Set 2.2: A 380 SER OG : rot 80:sc= 0.473 USER MOD Single : A 382 ASN :FLIP amide:sc= -2.62! C(o=-6.8!,f=-2.6!) USER MOD Single : A 383 LYS NZ :NH3+ 175:sc= 0.592 (180deg=0.57) USER MOD Single : A 384 LYS NZ :NH3+ -127:sc= -0.0288 (180deg=-2.08!) 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) USER MOD Single : A 390 LYS NZ :NH3+ 166:sc= -0.0495 (180deg=-0.237) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -139:sc= -2.5! (180deg=-5.28!) USER MOD Single : A 397 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.79!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.559 F(o=-4.7!,f=-0.56) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ -140:sc= -3.37! (180deg=-6.32!) USER MOD Single : A 408 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.171) USER MOD Single : A 412 LYS NZ :NH3+ 160:sc= -0.0799 (180deg=-0.463) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -2.772 6.425 -3.312 1.00 0.00 N ATOM 340 CA GLU A 376 -3.566 6.014 -4.463 1.00 0.00 C ATOM 341 C GLU A 376 -4.695 7.004 -4.738 1.00 0.00 C ATOM 342 O GLU A 376 -4.596 8.186 -4.409 1.00 0.00 O ATOM 343 CB GLU A 376 -4.144 4.622 -4.204 1.00 0.00 C ATOM 344 CG GLU A 376 -3.119 3.634 -3.676 1.00 0.00 C ATOM 345 CD GLU A 376 -3.688 2.241 -3.492 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.679 2.098 -2.745 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.144 1.293 -4.096 1.00 0.00 O ATOM 0 HA GLU A 376 -2.920 5.991 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.962 4.703 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.568 4.234 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.276 3.589 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.733 3.993 -2.722 1.00 0.00 H new ATOM 354 N THR A 377 -5.769 6.511 -5.344 1.00 0.00 N ATOM 355 CA THR A 377 -6.917 7.344 -5.671 1.00 0.00 C ATOM 356 C THR A 377 -8.201 6.533 -5.625 1.00 0.00 C ATOM 357 O THR A 377 -8.189 5.324 -5.862 1.00 0.00 O ATOM 358 CB THR A 377 -6.774 7.978 -7.070 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.690 6.951 -8.066 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.536 8.859 -7.144 1.00 0.00 C ATOM 0 H THR A 377 -5.867 5.534 -5.619 1.00 0.00 H new ATOM 0 HA THR A 377 -6.958 8.138 -4.926 1.00 0.00 H new ATOM 0 HB THR A 377 -7.653 8.596 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.601 7.361 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.458 9.294 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.612 9.656 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.649 8.259 -6.940 1.00 0.00 H new ATOM 368 N GLU A 378 -9.306 7.201 -5.310 1.00 0.00 N ATOM 369 CA GLU A 378 -10.603 6.540 -5.227 1.00 0.00 C ATOM 370 C GLU A 378 -10.838 5.677 -6.455 1.00 0.00 C ATOM 371 O GLU A 378 -11.357 4.567 -6.358 1.00 0.00 O ATOM 372 CB GLU A 378 -11.718 7.577 -5.097 1.00 0.00 C ATOM 373 CG GLU A 378 -13.098 6.970 -4.907 1.00 0.00 C ATOM 374 CD GLU A 378 -14.185 8.019 -4.773 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.861 9.223 -4.842 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.361 7.636 -4.599 1.00 0.00 O ATOM 0 H GLU A 378 -9.329 8.201 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.609 5.902 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.498 8.230 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.726 8.203 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.326 6.323 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.094 6.341 -4.017 1.00 0.00 H new ATOM 383 N GLY A 379 -10.443 6.198 -7.607 1.00 0.00 N ATOM 384 CA GLY A 379 -10.610 5.469 -8.846 1.00 0.00 C ATOM 385 C GLY A 379 -9.877 4.148 -8.846 1.00 0.00 C ATOM 386 O GLY A 379 -10.400 3.142 -9.326 1.00 0.00 O ATOM 0 H GLY A 379 -10.009 7.116 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.671 5.291 -9.018 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.250 6.080 -9.674 1.00 0.00 H new ATOM 390 N SER A 380 -8.665 4.142 -8.306 1.00 0.00 N ATOM 391 CA SER A 380 -7.871 2.925 -8.251 1.00 0.00 C ATOM 392 C SER A 380 -8.525 1.889 -7.343 1.00 0.00 C ATOM 393 O SER A 380 -8.725 0.743 -7.736 1.00 0.00 O ATOM 394 CB SER A 380 -6.462 3.232 -7.761 1.00 0.00 C ATOM 395 OG SER A 380 -5.804 4.138 -8.628 1.00 0.00 O ATOM 0 H SER A 380 -8.214 4.963 -7.902 1.00 0.00 H new ATOM 0 HA SER A 380 -7.814 2.513 -9.259 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.507 3.653 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.888 2.308 -7.693 1.00 0.00 H new ATOM 0 HG SER A 380 -6.103 5.051 -8.435 1.00 0.00 H new ATOM 401 N CYS A 381 -8.854 2.308 -6.126 1.00 0.00 N ATOM 402 CA CYS A 381 -9.479 1.425 -5.143 1.00 0.00 C ATOM 403 C CYS A 381 -10.730 0.746 -5.696 1.00 0.00 C ATOM 404 O CYS A 381 -10.934 -0.452 -5.491 1.00 0.00 O ATOM 405 CB CYS A 381 -9.835 2.217 -3.889 1.00 0.00 C ATOM 406 SG CYS A 381 -8.402 2.991 -3.074 1.00 0.00 S ATOM 0 H CYS A 381 -8.698 3.260 -5.793 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.759 0.644 -4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.553 2.993 -4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.329 1.553 -3.180 1.00 0.00 H new ATOM 411 N ASN A 382 -11.568 1.514 -6.384 1.00 0.00 N ATOM 412 CA ASN A 382 -12.806 0.983 -6.956 1.00 0.00 C ATOM 413 C ASN A 382 -12.535 -0.244 -7.816 1.00 0.00 C ATOM 414 O ASN A 382 -13.379 -1.132 -7.934 1.00 0.00 O ATOM 415 CB ASN A 382 -13.504 2.048 -7.805 1.00 0.00 C ATOM 416 CG ASN A 382 -13.875 3.287 -7.015 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.557 3.295 -5.727 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.446 4.233 -7.560 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.415 2.507 -6.561 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.452 0.695 -6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.851 2.332 -8.630 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.405 1.621 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.673 4.188 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.691 5.061 -7.018 1.00 0.00 H new ATOM 425 N LYS A 383 -11.360 -0.277 -8.427 1.00 0.00 N ATOM 426 CA LYS A 383 -10.979 -1.380 -9.293 1.00 0.00 C ATOM 427 C LYS A 383 -10.394 -2.535 -8.489 1.00 0.00 C ATOM 428 O LYS A 383 -10.509 -3.696 -8.878 1.00 0.00 O ATOM 429 CB LYS A 383 -9.973 -0.890 -10.334 1.00 0.00 C ATOM 430 CG LYS A 383 -10.385 0.415 -11.003 1.00 0.00 C ATOM 431 CD LYS A 383 -11.773 0.317 -11.621 1.00 0.00 C ATOM 432 CE LYS A 383 -12.149 1.593 -12.355 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.168 2.772 -11.446 1.00 0.00 N ATOM 0 H LYS A 383 -10.652 0.452 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.871 -1.748 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.003 -0.755 -9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.848 -1.658 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.369 1.221 -10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.660 0.673 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.805 -0.525 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.506 0.116 -10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.439 1.769 -13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.131 1.472 -12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.345 3.634 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.921 2.653 -10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.250 2.853 -10.963 1.00 0.00 H new ATOM 447 N LYS A 384 -9.759 -2.206 -7.369 1.00 0.00 N ATOM 448 CA LYS A 384 -9.145 -3.207 -6.514 1.00 0.00 C ATOM 449 C LYS A 384 -10.179 -4.138 -5.893 1.00 0.00 C ATOM 450 O LYS A 384 -11.121 -3.690 -5.236 1.00 0.00 O ATOM 451 CB LYS A 384 -8.337 -2.511 -5.420 1.00 0.00 C ATOM 452 CG LYS A 384 -6.942 -2.063 -5.849 1.00 0.00 C ATOM 453 CD LYS A 384 -6.913 -1.430 -7.235 1.00 0.00 C ATOM 454 CE LYS A 384 -6.635 -2.460 -8.323 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.581 -1.838 -9.675 1.00 0.00 N ATOM 0 H LYS A 384 -9.658 -1.248 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.487 -3.821 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.894 -1.640 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.242 -3.187 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.558 -1.347 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.272 -2.922 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.868 -0.942 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.147 -0.655 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.689 -2.961 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.411 -3.225 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.230 -2.339 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.863 -0.839 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.612 -1.900 -10.047 1.00 0.00 H new ATOM 469 N ASP A 385 -9.982 -5.439 -6.088 1.00 0.00 N ATOM 470 CA ASP A 385 -10.881 -6.442 -5.533 1.00 0.00 C ATOM 471 C ASP A 385 -10.716 -6.508 -4.020 1.00 0.00 C ATOM 472 O ASP A 385 -9.961 -5.729 -3.444 1.00 0.00 O ATOM 473 CB ASP A 385 -10.604 -7.813 -6.154 1.00 0.00 C ATOM 474 CG ASP A 385 -10.804 -7.816 -7.657 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.933 -7.528 -8.105 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.831 -8.106 -8.385 1.00 0.00 O ATOM 0 H ASP A 385 -9.206 -5.822 -6.627 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.907 -6.158 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.581 -8.113 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.262 -8.554 -5.701 1.00 0.00 H new ATOM 481 N GLN A 386 -11.419 -7.438 -3.382 1.00 0.00 N ATOM 482 CA GLN A 386 -11.346 -7.591 -1.931 1.00 0.00 C ATOM 483 C GLN A 386 -9.897 -7.625 -1.449 1.00 0.00 C ATOM 484 O GLN A 386 -9.490 -6.811 -0.620 1.00 0.00 O ATOM 485 CB GLN A 386 -12.072 -8.868 -1.502 1.00 0.00 C ATOM 486 CG GLN A 386 -12.092 -9.086 0.003 1.00 0.00 C ATOM 487 CD GLN A 386 -12.825 -10.354 0.397 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.435 -11.457 0.012 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.895 -10.204 1.168 1.00 0.00 N ATOM 0 H GLN A 386 -12.045 -8.097 -3.845 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.833 -6.729 -1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.098 -8.832 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.594 -9.724 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.068 -9.132 0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.567 -8.231 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.183 -9.272 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.429 -11.021 1.464 1.00 0.00 H new ATOM 498 N ASN A 387 -9.122 -8.566 -1.976 1.00 0.00 N ATOM 499 CA ASN A 387 -7.719 -8.700 -1.600 1.00 0.00 C ATOM 500 C ASN A 387 -6.908 -7.498 -2.076 1.00 0.00 C ATOM 501 O ASN A 387 -5.913 -7.122 -1.455 1.00 0.00 O ATOM 502 CB ASN A 387 -7.133 -9.989 -2.181 1.00 0.00 C ATOM 503 CG ASN A 387 -5.702 -10.222 -1.749 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.395 -10.243 -0.557 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.818 -10.411 -2.719 1.00 0.00 N ATOM 0 H ASN A 387 -9.441 -9.247 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.665 -8.743 -0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.745 -10.835 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.178 -9.946 -3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.839 -10.582 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.117 -10.385 -3.694 1.00 0.00 H new ATOM 512 N GLU A 388 -7.336 -6.906 -3.187 1.00 0.00 N ATOM 513 CA GLU A 388 -6.649 -5.752 -3.758 1.00 0.00 C ATOM 514 C GLU A 388 -6.976 -4.474 -2.997 1.00 0.00 C ATOM 515 O GLU A 388 -6.248 -3.487 -3.101 1.00 0.00 O ATOM 516 CB GLU A 388 -7.015 -5.594 -5.235 1.00 0.00 C ATOM 517 CG GLU A 388 -6.645 -6.798 -6.087 1.00 0.00 C ATOM 518 CD GLU A 388 -7.017 -6.620 -7.548 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.556 -5.548 -7.898 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.769 -7.551 -8.341 1.00 0.00 O ATOM 0 H GLU A 388 -8.158 -7.207 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.577 -5.928 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.087 -5.417 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.514 -4.711 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.573 -6.977 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.146 -7.683 -5.694 1.00 0.00 H new ATOM 527 N CYS A 389 -8.066 -4.491 -2.231 1.00 0.00 N ATOM 528 CA CYS A 389 -8.459 -3.318 -1.462 1.00 0.00 C ATOM 529 C CYS A 389 -7.307 -2.916 -0.546 1.00 0.00 C ATOM 530 O CYS A 389 -7.099 -3.505 0.515 1.00 0.00 O ATOM 531 CB CYS A 389 -9.733 -3.603 -0.660 1.00 0.00 C ATOM 532 SG CYS A 389 -10.571 -2.109 -0.032 1.00 0.00 S ATOM 0 H CYS A 389 -8.684 -5.296 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.678 -2.492 -2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.428 -4.159 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.482 -4.247 0.183 1.00 0.00 H new ATOM 537 N LYS A 390 -6.538 -1.934 -1.002 1.00 0.00 N ATOM 538 CA LYS A 390 -5.364 -1.457 -0.280 1.00 0.00 C ATOM 539 C LYS A 390 -5.724 -0.702 0.996 1.00 0.00 C ATOM 540 O LYS A 390 -6.870 -0.303 1.197 1.00 0.00 O ATOM 541 CB LYS A 390 -4.526 -0.581 -1.205 1.00 0.00 C ATOM 542 CG LYS A 390 -3.937 -1.346 -2.383 1.00 0.00 C ATOM 543 CD LYS A 390 -2.885 -2.345 -1.930 1.00 0.00 C ATOM 544 CE LYS A 390 -2.286 -3.095 -3.109 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.627 -2.175 -4.076 1.00 0.00 N ATOM 0 H LYS A 390 -6.710 -1.447 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.787 -2.328 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.144 0.234 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.716 -0.129 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.733 -1.870 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.493 -0.644 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.095 -1.823 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.332 -3.055 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.559 -3.821 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.070 -3.656 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.034 -2.725 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.352 -1.661 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.033 -1.495 -3.559 1.00 0.00 H new ATOM 559 N SER A 391 -4.722 -0.527 1.861 1.00 0.00 N ATOM 560 CA SER A 391 -4.908 0.165 3.135 1.00 0.00 C ATOM 561 C SER A 391 -5.555 1.535 2.937 1.00 0.00 C ATOM 562 O SER A 391 -6.582 1.824 3.550 1.00 0.00 O ATOM 563 CB SER A 391 -3.570 0.311 3.868 1.00 0.00 C ATOM 564 OG SER A 391 -3.738 0.972 5.111 1.00 0.00 O ATOM 0 H SER A 391 -3.771 -0.857 1.700 1.00 0.00 H new ATOM 0 HA SER A 391 -5.580 -0.439 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.133 -0.674 4.033 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.871 0.871 3.247 1.00 0.00 H new ATOM 0 HG SER A 391 -2.870 1.051 5.559 1.00 0.00 H new ATOM 570 N PRO A 392 -4.988 2.401 2.065 1.00 0.00 N ATOM 571 CA PRO A 392 -5.555 3.722 1.799 1.00 0.00 C ATOM 572 C PRO A 392 -7.027 3.613 1.432 1.00 0.00 C ATOM 573 O PRO A 392 -7.821 4.519 1.687 1.00 0.00 O ATOM 574 CB PRO A 392 -4.730 4.234 0.608 1.00 0.00 C ATOM 575 CG PRO A 392 -4.033 3.037 0.070 1.00 0.00 C ATOM 576 CD PRO A 392 -3.779 2.179 1.259 1.00 0.00 C ATOM 0 HA PRO A 392 -5.510 4.386 2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.371 4.689 -0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.017 4.996 0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.647 2.520 -0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.102 3.311 -0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.658 1.131 0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.875 2.476 1.790 1.00 0.00 H new ATOM 584 N CYS A 393 -7.383 2.484 0.838 1.00 0.00 N ATOM 585 CA CYS A 393 -8.757 2.228 0.443 1.00 0.00 C ATOM 586 C CYS A 393 -9.559 1.717 1.633 1.00 0.00 C ATOM 587 O CYS A 393 -9.023 1.034 2.507 1.00 0.00 O ATOM 588 CB CYS A 393 -8.805 1.200 -0.680 1.00 0.00 C ATOM 589 SG CYS A 393 -7.591 1.476 -2.007 1.00 0.00 S ATOM 0 H CYS A 393 -6.735 1.728 0.619 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.192 3.163 0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.642 0.209 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.805 1.201 -1.114 1.00 0.00 H new ATOM 594 N LYS A 394 -10.843 2.039 1.658 1.00 0.00 N ATOM 595 CA LYS A 394 -11.716 1.599 2.739 1.00 0.00 C ATOM 596 C LYS A 394 -12.642 0.491 2.257 1.00 0.00 C ATOM 597 O LYS A 394 -13.386 0.663 1.290 1.00 0.00 O ATOM 598 CB LYS A 394 -12.525 2.777 3.288 1.00 0.00 C ATOM 599 CG LYS A 394 -13.420 2.405 4.460 1.00 0.00 C ATOM 600 CD LYS A 394 -14.052 3.629 5.112 1.00 0.00 C ATOM 601 CE LYS A 394 -15.059 4.310 4.197 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.408 4.982 3.040 1.00 0.00 N ATOM 0 H LYS A 394 -11.305 2.602 0.944 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.097 1.204 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.839 3.564 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.140 3.189 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.206 1.732 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.836 1.860 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.546 3.332 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.271 4.339 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -15.772 3.571 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.627 5.044 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.865 5.900 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.400 5.131 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.503 4.385 2.193 1.00 0.00 H new ATOM 616 N TRP A 395 -12.577 -0.651 2.931 1.00 0.00 N ATOM 617 CA TRP A 395 -13.394 -1.801 2.570 1.00 0.00 C ATOM 618 C TRP A 395 -14.836 -1.628 3.037 1.00 0.00 C ATOM 619 O TRP A 395 -15.088 -1.142 4.140 1.00 0.00 O ATOM 620 CB TRP A 395 -12.803 -3.075 3.173 1.00 0.00 C ATOM 621 CG TRP A 395 -13.475 -4.325 2.698 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.052 -5.289 3.472 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.628 -4.754 1.339 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.561 -6.288 2.679 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.312 -5.984 1.366 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.258 -4.216 0.101 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.630 -6.684 0.208 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.574 -4.914 -1.049 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.254 -6.136 -0.989 1.00 0.00 C ATOM 0 H TRP A 395 -11.965 -0.805 3.732 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.397 -1.881 1.483 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.742 -3.126 2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.877 -3.022 4.259 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.101 -5.269 4.551 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.046 -7.121 3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.735 -3.273 0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.155 -7.627 0.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.292 -4.510 -2.010 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.487 -6.657 -1.906 1.00 0.00 H new ATOM 640 N HIS A 396 -15.779 -2.039 2.194 1.00 0.00 N ATOM 641 CA HIS A 396 -17.197 -1.941 2.526 1.00 0.00 C ATOM 642 C HIS A 396 -17.834 -3.322 2.584 1.00 0.00 C ATOM 643 O HIS A 396 -18.003 -3.982 1.552 1.00 0.00 O ATOM 644 CB HIS A 396 -17.937 -1.086 1.494 1.00 0.00 C ATOM 645 CG HIS A 396 -17.402 0.304 1.369 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.370 1.196 2.422 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.882 0.961 0.306 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.854 2.340 2.011 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.550 2.223 0.732 1.00 0.00 N ATOM 0 H HIS A 396 -15.587 -2.443 1.277 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.276 -1.469 3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.881 -1.576 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.992 -1.037 1.765 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.694 1.002 3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.753 0.566 -0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.706 3.221 2.618 1.00 0.00 H new ATOM 658 N ASN A 397 -18.199 -3.747 3.793 1.00 0.00 N ATOM 659 CA ASN A 397 -18.836 -5.045 3.990 1.00 0.00 C ATOM 660 C ASN A 397 -20.338 -4.870 4.181 1.00 0.00 C ATOM 661 O ASN A 397 -20.821 -4.743 5.307 1.00 0.00 O ATOM 662 CB ASN A 397 -18.228 -5.758 5.201 1.00 0.00 C ATOM 663 CG ASN A 397 -18.800 -7.149 5.405 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.998 -7.315 5.637 1.00 0.00 O ATOM 665 ND2 ASN A 397 -17.941 -8.158 5.318 1.00 0.00 N ATOM 0 H ASN A 397 -18.064 -3.210 4.650 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.664 -5.656 3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.148 -5.828 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.404 -5.161 6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.266 -9.117 5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.957 -7.974 5.124 1.00 0.00 H new ATOM 672 N ASP A 398 -21.064 -4.859 3.068 1.00 0.00 N ATOM 673 CA ASP A 398 -22.515 -4.693 3.078 1.00 0.00 C ATOM 674 C ASP A 398 -23.031 -4.575 1.652 1.00 0.00 C ATOM 675 O ASP A 398 -24.141 -5.006 1.340 1.00 0.00 O ATOM 676 CB ASP A 398 -22.917 -3.448 3.875 1.00 0.00 C ATOM 677 CG ASP A 398 -22.330 -2.174 3.297 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.087 -2.071 3.229 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.113 -1.282 2.911 1.00 0.00 O ATOM 0 H ASP A 398 -20.665 -4.965 2.135 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.956 -5.568 3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -24.004 -3.368 3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.588 -3.560 4.908 1.00 0.00 H new ATOM 684 N ALA A 399 -22.204 -3.982 0.797 1.00 0.00 N ATOM 685 CA ALA A 399 -22.541 -3.786 -0.607 1.00 0.00 C ATOM 686 C ALA A 399 -23.083 -5.068 -1.229 1.00 0.00 C ATOM 687 O ALA A 399 -22.707 -6.170 -0.831 1.00 0.00 O ATOM 688 CB ALA A 399 -21.316 -3.304 -1.369 1.00 0.00 C ATOM 0 H ALA A 399 -21.285 -3.625 1.057 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.323 -3.030 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.574 -3.159 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.973 -2.360 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.522 -4.047 -1.290 1.00 0.00 H new ATOM 694 N GLU A 400 -23.972 -4.911 -2.209 1.00 0.00 N ATOM 695 CA GLU A 400 -24.574 -6.051 -2.896 1.00 0.00 C ATOM 696 C GLU A 400 -23.505 -7.035 -3.358 1.00 0.00 C ATOM 697 O GLU A 400 -23.783 -8.216 -3.570 1.00 0.00 O ATOM 698 CB GLU A 400 -25.399 -5.575 -4.095 1.00 0.00 C ATOM 699 CG GLU A 400 -26.545 -4.650 -3.717 1.00 0.00 C ATOM 700 CD GLU A 400 -27.352 -4.200 -4.919 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.769 -3.562 -5.819 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.567 -4.486 -4.959 1.00 0.00 O ATOM 0 H GLU A 400 -24.291 -4.002 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.231 -6.561 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.742 -5.059 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.801 -6.444 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -27.202 -5.161 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.147 -3.775 -3.203 1.00 0.00 H new ATOM 709 N ASN A 401 -22.279 -6.542 -3.505 1.00 0.00 N ATOM 710 CA ASN A 401 -21.165 -7.376 -3.934 1.00 0.00 C ATOM 711 C ASN A 401 -19.839 -6.806 -3.440 1.00 0.00 C ATOM 712 O ASN A 401 -18.826 -6.873 -4.137 1.00 0.00 O ATOM 713 CB ASN A 401 -21.150 -7.503 -5.462 1.00 0.00 C ATOM 714 CG ASN A 401 -21.035 -6.165 -6.178 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.009 -5.070 -5.423 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.972 -6.118 -7.407 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.033 -5.567 -3.333 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.296 -8.367 -3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.315 -8.138 -5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.062 -8.003 -5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.995 -6.980 -7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.897 -5.217 -7.880 1.00 0.00 H new ATOM 723 N LYS A 402 -19.858 -6.252 -2.226 1.00 0.00 N ATOM 724 CA LYS A 402 -18.659 -5.672 -1.618 1.00 0.00 C ATOM 725 C LYS A 402 -18.157 -4.472 -2.418 1.00 0.00 C ATOM 726 O LYS A 402 -18.286 -4.432 -3.642 1.00 0.00 O ATOM 727 CB LYS A 402 -17.551 -6.723 -1.497 1.00 0.00 C ATOM 728 CG LYS A 402 -17.830 -7.806 -0.462 1.00 0.00 C ATOM 729 CD LYS A 402 -19.005 -8.686 -0.860 1.00 0.00 C ATOM 730 CE LYS A 402 -19.267 -9.765 0.178 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.415 -10.634 -0.202 1.00 0.00 N ATOM 0 H LYS A 402 -20.693 -6.193 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.929 -5.328 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.404 -7.194 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.617 -6.223 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.941 -8.424 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.035 -7.341 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.897 -8.071 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.804 -9.149 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.373 -10.377 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.468 -9.299 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.561 -11.357 0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -21.274 -10.055 -0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.213 -11.099 -1.110 1.00 0.00 H new ATOM 745 N LYS A 403 -17.592 -3.488 -1.720 1.00 0.00 N ATOM 746 CA LYS A 403 -17.085 -2.286 -2.383 1.00 0.00 C ATOM 747 C LYS A 403 -15.835 -1.739 -1.699 1.00 0.00 C ATOM 748 O LYS A 403 -15.711 -1.780 -0.477 1.00 0.00 O ATOM 749 CB LYS A 403 -18.164 -1.203 -2.419 1.00 0.00 C ATOM 750 CG LYS A 403 -19.354 -1.555 -3.296 1.00 0.00 C ATOM 751 CD LYS A 403 -20.435 -0.482 -3.259 1.00 0.00 C ATOM 752 CE LYS A 403 -19.975 0.822 -3.897 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.907 1.494 -3.104 1.00 0.00 N ATOM 0 H LYS A 403 -17.474 -3.497 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.815 -2.570 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.514 -1.018 -1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.722 -0.274 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.017 -1.694 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.776 -2.505 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.322 -0.845 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.724 -0.296 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.606 0.621 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.827 1.495 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.073 2.521 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.922 1.135 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -17.980 1.296 -3.532 1.00 0.00 H new ATOM 767 N CYS A 404 -14.916 -1.216 -2.507 1.00 0.00 N ATOM 768 CA CYS A 404 -13.673 -0.640 -2.001 1.00 0.00 C ATOM 769 C CYS A 404 -13.463 0.747 -2.607 1.00 0.00 C ATOM 770 O CYS A 404 -13.515 0.909 -3.826 1.00 0.00 O ATOM 771 CB CYS A 404 -12.489 -1.553 -2.347 1.00 0.00 C ATOM 772 SG CYS A 404 -10.883 -0.982 -1.702 1.00 0.00 S ATOM 0 H CYS A 404 -15.010 -1.179 -3.522 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.738 -0.549 -0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.689 -2.551 -1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.420 -1.643 -3.431 1.00 0.00 H new ATOM 777 N THR A 405 -13.239 1.749 -1.756 1.00 0.00 N ATOM 778 CA THR A 405 -13.042 3.119 -2.231 1.00 0.00 C ATOM 779 C THR A 405 -12.036 3.883 -1.374 1.00 0.00 C ATOM 780 O THR A 405 -12.071 3.819 -0.146 1.00 0.00 O ATOM 781 CB THR A 405 -14.366 3.909 -2.245 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.895 4.003 -0.917 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.389 3.246 -3.154 1.00 0.00 C ATOM 0 H THR A 405 -13.190 1.640 -0.743 1.00 0.00 H new ATOM 0 HA THR A 405 -12.655 3.030 -3.246 1.00 0.00 H new ATOM 0 HB THR A 405 -14.159 4.908 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.411 3.195 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.313 3.824 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 405 -14.998 3.203 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.590 2.235 -2.799 1.00 0.00 H new ATOM 791 N LEU A 406 -11.148 4.614 -2.042 1.00 0.00 N ATOM 792 CA LEU A 406 -10.125 5.407 -1.374 1.00 0.00 C ATOM 793 C LEU A 406 -10.755 6.459 -0.472 1.00 0.00 C ATOM 794 O LEU A 406 -11.769 7.064 -0.819 1.00 0.00 O ATOM 795 CB LEU A 406 -9.233 6.077 -2.422 1.00 0.00 C ATOM 796 CG LEU A 406 -7.950 6.726 -1.905 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.233 8.060 -1.235 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.227 5.786 -0.961 1.00 0.00 C ATOM 0 H LEU A 406 -11.119 4.672 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.522 4.746 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -8.962 5.330 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -9.820 6.840 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.303 6.923 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.299 8.494 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.697 8.736 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -8.907 7.908 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.315 6.262 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.873 5.553 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -6.972 4.866 -1.488 1.00 0.00 H new ATOM 810 N ASP A 407 -10.139 6.676 0.682 1.00 0.00 N ATOM 811 CA ASP A 407 -10.627 7.656 1.631 1.00 0.00 C ATOM 812 C ASP A 407 -9.649 8.823 1.743 1.00 0.00 C ATOM 813 O ASP A 407 -8.444 8.626 1.877 1.00 0.00 O ATOM 814 CB ASP A 407 -10.853 6.993 2.986 1.00 0.00 C ATOM 815 CG ASP A 407 -9.661 6.194 3.465 1.00 0.00 C ATOM 816 OD1 ASP A 407 -8.553 6.401 2.934 1.00 0.00 O ATOM 817 OD2 ASP A 407 -9.832 5.380 4.396 1.00 0.00 O ATOM 0 H ASP A 407 -9.298 6.182 0.980 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.579 8.054 1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.088 7.760 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -11.720 6.336 2.922 1.00 0.00 H new ATOM 822 N LYS A 408 -10.173 10.039 1.658 1.00 0.00 N ATOM 823 CA LYS A 408 -9.343 11.238 1.723 1.00 0.00 C ATOM 824 C LYS A 408 -8.761 11.461 3.117 1.00 0.00 C ATOM 825 O LYS A 408 -7.599 11.836 3.254 1.00 0.00 O ATOM 826 CB LYS A 408 -10.152 12.460 1.286 1.00 0.00 C ATOM 827 CG LYS A 408 -10.726 12.336 -0.119 1.00 0.00 C ATOM 828 CD LYS A 408 -9.629 12.165 -1.160 1.00 0.00 C ATOM 829 CE LYS A 408 -10.206 11.943 -2.550 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.059 13.083 -2.987 1.00 0.00 N ATOM 0 H LYS A 408 -11.170 10.223 1.544 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.505 11.093 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.968 12.617 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.515 13.344 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.404 11.484 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.314 13.224 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.992 13.049 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -8.997 11.319 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.393 11.804 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.795 11.026 -2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.294 12.975 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.935 13.096 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.545 13.976 -2.845 1.00 0.00 H new ATOM 844 N GLU A 409 -9.574 11.249 4.147 1.00 0.00 N ATOM 845 CA GLU A 409 -9.130 11.449 5.522 1.00 0.00 C ATOM 846 C GLU A 409 -7.966 10.525 5.885 1.00 0.00 C ATOM 847 O GLU A 409 -6.940 10.971 6.401 1.00 0.00 O ATOM 848 CB GLU A 409 -10.295 11.218 6.484 1.00 0.00 C ATOM 849 CG GLU A 409 -9.933 11.447 7.940 1.00 0.00 C ATOM 850 CD GLU A 409 -11.098 11.198 8.878 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.129 11.889 8.739 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.980 10.311 9.749 1.00 0.00 O ATOM 0 H GLU A 409 -10.542 10.939 4.056 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.778 12.477 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.116 11.882 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.658 10.197 6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.106 10.791 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.582 12.471 8.066 1.00 0.00 H new ATOM 859 N GLU A 410 -8.133 9.236 5.621 1.00 0.00 N ATOM 860 CA GLU A 410 -7.095 8.256 5.932 1.00 0.00 C ATOM 861 C GLU A 410 -5.886 8.412 5.016 1.00 0.00 C ATOM 862 O GLU A 410 -4.748 8.370 5.478 1.00 0.00 O ATOM 863 CB GLU A 410 -7.644 6.832 5.832 1.00 0.00 C ATOM 864 CG GLU A 410 -8.489 6.398 7.022 1.00 0.00 C ATOM 865 CD GLU A 410 -9.757 7.216 7.188 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.652 8.415 7.518 1.00 0.00 O ATOM 867 OE2 GLU A 410 -10.854 6.655 6.987 1.00 0.00 O ATOM 0 H GLU A 410 -8.972 8.844 5.194 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.773 8.440 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.245 6.750 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.808 6.140 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.755 5.347 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.892 6.477 7.931 1.00 0.00 H new ATOM 874 N ALA A 411 -6.131 8.575 3.719 1.00 0.00 N ATOM 875 CA ALA A 411 -5.045 8.720 2.752 1.00 0.00 C ATOM 876 C ALA A 411 -4.202 9.962 3.028 1.00 0.00 C ATOM 877 O ALA A 411 -2.976 9.922 2.929 1.00 0.00 O ATOM 878 CB ALA A 411 -5.595 8.762 1.335 1.00 0.00 C ATOM 0 H ALA A 411 -7.066 8.610 3.314 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.397 7.850 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.772 8.870 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.133 7.838 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.274 9.608 1.233 1.00 0.00 H new ATOM 884 N LYS A 412 -4.856 11.068 3.363 1.00 0.00 N ATOM 885 CA LYS A 412 -4.142 12.310 3.639 1.00 0.00 C ATOM 886 C LYS A 412 -3.222 12.138 4.845 1.00 0.00 C ATOM 887 O LYS A 412 -2.080 12.600 4.836 1.00 0.00 O ATOM 888 CB LYS A 412 -5.126 13.462 3.873 1.00 0.00 C ATOM 889 CG LYS A 412 -5.863 13.388 5.200 1.00 0.00 C ATOM 890 CD LYS A 412 -6.951 14.444 5.293 1.00 0.00 C ATOM 891 CE LYS A 412 -7.561 14.500 6.686 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.548 14.840 7.724 1.00 0.00 N ATOM 0 H LYS A 412 -5.870 11.131 3.450 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.532 12.555 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.583 14.406 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.856 13.472 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.304 12.398 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.155 13.520 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.535 15.419 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.731 14.229 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.360 15.241 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.014 13.537 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -7.029 15.197 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.001 13.990 7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.906 15.571 7.356 1.00 0.00 H new