USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HD1:sc= 0.625 K(o=1.2,f=-5.1!) USER MOD Set 1.2: A 405 THR OG1 : rot 130:sc= 0.544 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.024 USER MOD Set 2.2: A 380 SER OG : rot 81:sc= 0.0251 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.952 F(o=-3.7!,f=-0.95) USER MOD Single : A 383 LYS NZ :NH3+ 160:sc= -0.0825 (180deg=-0.448) USER MOD Single : A 384 LYS NZ :NH3+ -119:sc= -0.468 (180deg=-3.46!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 387 ASN : amide:sc=-0.00575 X(o=-0.0058,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -166:sc= -0.0269 (180deg=-0.259) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 166:sc= -0.024 (180deg=-0.214) USER MOD Single : A 397 ASN :FLIP amide:sc= 0.566 F(o=-1.3,f=0.57) USER MOD Single : A 401 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.38) USER MOD Single : A 402 LYS NZ :NH3+ 164:sc= -0.0747 (180deg=-0.344) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ -168:sc= -0.0329 (180deg=-0.237) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.181 5.648 -2.881 1.00 0.00 N ATOM 340 CA GLU A 376 -3.788 5.632 -4.205 1.00 0.00 C ATOM 341 C GLU A 376 -4.895 6.677 -4.312 1.00 0.00 C ATOM 342 O GLU A 376 -4.820 7.740 -3.695 1.00 0.00 O ATOM 343 CB GLU A 376 -4.330 4.231 -4.499 1.00 0.00 C ATOM 344 CG GLU A 376 -3.283 3.142 -4.355 1.00 0.00 C ATOM 345 CD GLU A 376 -2.132 3.306 -5.329 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.386 3.297 -6.552 1.00 0.00 O ATOM 347 OE2 GLU A 376 -0.980 3.443 -4.869 1.00 0.00 O ATOM 0 HA GLU A 376 -3.029 5.883 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.159 4.020 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.731 4.209 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.895 3.148 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.751 2.170 -4.512 1.00 0.00 H new ATOM 354 N THR A 377 -5.918 6.380 -5.104 1.00 0.00 N ATOM 355 CA THR A 377 -7.027 7.302 -5.296 1.00 0.00 C ATOM 356 C THR A 377 -8.346 6.554 -5.429 1.00 0.00 C ATOM 357 O THR A 377 -8.363 5.348 -5.674 1.00 0.00 O ATOM 358 CB THR A 377 -6.810 8.179 -6.543 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.821 7.366 -7.723 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.486 8.923 -6.449 1.00 0.00 C ATOM 0 H THR A 377 -6.001 5.506 -5.624 1.00 0.00 H new ATOM 0 HA THR A 377 -7.069 7.942 -4.415 1.00 0.00 H new ATOM 0 HB THR A 377 -7.620 8.906 -6.597 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.684 7.932 -8.511 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.350 9.537 -7.339 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.489 9.560 -5.565 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.669 8.205 -6.376 1.00 0.00 H new ATOM 368 N GLU A 378 -9.448 7.277 -5.248 1.00 0.00 N ATOM 369 CA GLU A 378 -10.781 6.688 -5.331 1.00 0.00 C ATOM 370 C GLU A 378 -10.915 5.806 -6.564 1.00 0.00 C ATOM 371 O GLU A 378 -11.460 4.706 -6.495 1.00 0.00 O ATOM 372 CB GLU A 378 -11.842 7.790 -5.356 1.00 0.00 C ATOM 373 CG GLU A 378 -13.269 7.267 -5.392 1.00 0.00 C ATOM 374 CD GLU A 378 -14.297 8.381 -5.416 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.317 9.193 -4.467 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.083 8.443 -6.385 1.00 0.00 O ATOM 0 H GLU A 378 -9.443 8.276 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.932 6.065 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.718 8.421 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.675 8.423 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.400 6.638 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.443 6.636 -4.521 1.00 0.00 H new ATOM 383 N GLY A 379 -10.411 6.297 -7.685 1.00 0.00 N ATOM 384 CA GLY A 379 -10.481 5.541 -8.920 1.00 0.00 C ATOM 385 C GLY A 379 -9.723 4.233 -8.847 1.00 0.00 C ATOM 386 O GLY A 379 -10.172 3.219 -9.381 1.00 0.00 O ATOM 0 H GLY A 379 -9.954 7.206 -7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.525 5.338 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.079 6.144 -9.734 1.00 0.00 H new ATOM 390 N SER A 380 -8.572 4.256 -8.189 1.00 0.00 N ATOM 391 CA SER A 380 -7.752 3.059 -8.056 1.00 0.00 C ATOM 392 C SER A 380 -8.428 2.011 -7.176 1.00 0.00 C ATOM 393 O SER A 380 -8.527 0.846 -7.552 1.00 0.00 O ATOM 394 CB SER A 380 -6.388 3.415 -7.482 1.00 0.00 C ATOM 395 OG SER A 380 -5.698 4.322 -8.323 1.00 0.00 O ATOM 0 H SER A 380 -8.186 5.087 -7.740 1.00 0.00 H new ATOM 0 HA SER A 380 -7.626 2.633 -9.051 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.511 3.855 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.796 2.509 -7.357 1.00 0.00 H new ATOM 0 HG SER A 380 -6.022 5.232 -8.158 1.00 0.00 H new ATOM 401 N CYS A 381 -8.882 2.433 -6.001 1.00 0.00 N ATOM 402 CA CYS A 381 -9.534 1.528 -5.056 1.00 0.00 C ATOM 403 C CYS A 381 -10.740 0.830 -5.677 1.00 0.00 C ATOM 404 O CYS A 381 -10.947 -0.366 -5.469 1.00 0.00 O ATOM 405 CB CYS A 381 -9.964 2.289 -3.804 1.00 0.00 C ATOM 406 SG CYS A 381 -8.598 3.136 -2.945 1.00 0.00 S ATOM 0 H CYS A 381 -8.811 3.398 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.807 0.762 -4.785 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.718 3.026 -4.080 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.438 1.592 -3.113 1.00 0.00 H new ATOM 411 N ASN A 382 -11.538 1.582 -6.429 1.00 0.00 N ATOM 412 CA ASN A 382 -12.731 1.030 -7.069 1.00 0.00 C ATOM 413 C ASN A 382 -12.400 -0.218 -7.878 1.00 0.00 C ATOM 414 O ASN A 382 -13.232 -1.111 -8.027 1.00 0.00 O ATOM 415 CB ASN A 382 -13.375 2.069 -7.988 1.00 0.00 C ATOM 416 CG ASN A 382 -13.846 3.305 -7.245 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.635 3.333 -5.936 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.397 4.228 -7.846 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.382 2.573 -6.611 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.429 0.759 -6.277 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.657 2.363 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.222 1.616 -8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.540 4.167 -8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.710 5.054 -7.336 1.00 0.00 H new ATOM 425 N LYS A 383 -11.186 -0.265 -8.408 1.00 0.00 N ATOM 426 CA LYS A 383 -10.752 -1.392 -9.215 1.00 0.00 C ATOM 427 C LYS A 383 -10.187 -2.507 -8.342 1.00 0.00 C ATOM 428 O LYS A 383 -10.336 -3.688 -8.654 1.00 0.00 O ATOM 429 CB LYS A 383 -9.713 -0.929 -10.236 1.00 0.00 C ATOM 430 CG LYS A 383 -10.124 0.334 -10.983 1.00 0.00 C ATOM 431 CD LYS A 383 -11.534 0.223 -11.547 1.00 0.00 C ATOM 432 CE LYS A 383 -11.871 1.404 -12.442 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.963 1.486 -13.618 1.00 0.00 N ATOM 0 H LYS A 383 -10.485 0.466 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.617 -1.792 -9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.767 -0.749 -9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.540 -1.729 -10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.068 1.189 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.421 0.521 -11.795 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.628 -0.703 -12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.251 0.170 -10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.902 1.317 -12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.803 2.327 -11.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.408 2.063 -14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.063 1.923 -13.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.783 0.530 -13.985 1.00 0.00 H new ATOM 447 N LYS A 384 -9.537 -2.124 -7.249 1.00 0.00 N ATOM 448 CA LYS A 384 -8.949 -3.086 -6.333 1.00 0.00 C ATOM 449 C LYS A 384 -10.026 -3.858 -5.578 1.00 0.00 C ATOM 450 O LYS A 384 -10.853 -3.264 -4.887 1.00 0.00 O ATOM 451 CB LYS A 384 -8.040 -2.354 -5.346 1.00 0.00 C ATOM 452 CG LYS A 384 -6.669 -1.977 -5.903 1.00 0.00 C ATOM 453 CD LYS A 384 -6.737 -1.389 -7.304 1.00 0.00 C ATOM 454 CE LYS A 384 -6.514 -2.448 -8.374 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.535 -1.865 -9.745 1.00 0.00 N ATOM 0 H LYS A 384 -9.405 -1.150 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.365 -3.804 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.544 -1.447 -5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.900 -2.983 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.197 -1.256 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.033 -2.862 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.709 -0.920 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.986 -0.606 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.557 -2.941 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.285 -3.214 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.308 -2.294 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.683 -0.837 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.628 -2.056 -10.217 1.00 0.00 H new ATOM 469 N ASP A 385 -10.008 -5.183 -5.703 1.00 0.00 N ATOM 470 CA ASP A 385 -10.984 -6.019 -5.012 1.00 0.00 C ATOM 471 C ASP A 385 -10.667 -6.081 -3.527 1.00 0.00 C ATOM 472 O ASP A 385 -9.859 -5.303 -3.025 1.00 0.00 O ATOM 473 CB ASP A 385 -11.008 -7.433 -5.594 1.00 0.00 C ATOM 474 CG ASP A 385 -9.647 -8.099 -5.564 1.00 0.00 C ATOM 475 OD1 ASP A 385 -8.716 -7.574 -6.208 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.513 -9.144 -4.894 1.00 0.00 O ATOM 0 H ASP A 385 -9.334 -5.696 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.968 -5.571 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -11.718 -8.041 -5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.366 -7.392 -6.623 1.00 0.00 H new ATOM 481 N GLN A 386 -11.298 -7.017 -2.830 1.00 0.00 N ATOM 482 CA GLN A 386 -11.076 -7.177 -1.396 1.00 0.00 C ATOM 483 C GLN A 386 -9.592 -7.347 -1.092 1.00 0.00 C ATOM 484 O GLN A 386 -9.035 -6.646 -0.246 1.00 0.00 O ATOM 485 CB GLN A 386 -11.849 -8.386 -0.868 1.00 0.00 C ATOM 486 CG GLN A 386 -11.718 -8.581 0.635 1.00 0.00 C ATOM 487 CD GLN A 386 -12.461 -9.805 1.135 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.672 -9.926 0.954 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.737 -10.717 1.773 1.00 0.00 N ATOM 0 H GLN A 386 -11.966 -7.676 -3.231 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.435 -6.276 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.903 -8.272 -1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.495 -9.283 -1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.663 -8.670 0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.098 -7.697 1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.735 -10.575 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.183 -11.560 2.136 1.00 0.00 H new ATOM 498 N ASN A 387 -8.962 -8.283 -1.787 1.00 0.00 N ATOM 499 CA ASN A 387 -7.545 -8.562 -1.598 1.00 0.00 C ATOM 500 C ASN A 387 -6.678 -7.373 -2.005 1.00 0.00 C ATOM 501 O ASN A 387 -5.596 -7.169 -1.454 1.00 0.00 O ATOM 502 CB ASN A 387 -7.139 -9.798 -2.400 1.00 0.00 C ATOM 503 CG ASN A 387 -5.686 -10.165 -2.202 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.231 -10.365 -1.075 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.952 -10.266 -3.299 1.00 0.00 N ATOM 0 H ASN A 387 -9.413 -8.866 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.384 -8.748 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.766 -10.640 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.324 -9.617 -3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.966 -10.519 -3.232 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.372 -10.091 -4.212 1.00 0.00 H new ATOM 512 N GLU A 388 -7.146 -6.598 -2.981 1.00 0.00 N ATOM 513 CA GLU A 388 -6.390 -5.446 -3.461 1.00 0.00 C ATOM 514 C GLU A 388 -6.800 -4.159 -2.755 1.00 0.00 C ATOM 515 O GLU A 388 -6.173 -3.118 -2.946 1.00 0.00 O ATOM 516 CB GLU A 388 -6.552 -5.298 -4.975 1.00 0.00 C ATOM 517 CG GLU A 388 -5.951 -6.451 -5.761 1.00 0.00 C ATOM 518 CD GLU A 388 -6.067 -6.262 -7.261 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.521 -5.264 -7.777 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.701 -7.111 -7.921 1.00 0.00 O ATOM 0 H GLU A 388 -8.039 -6.746 -3.451 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.340 -5.624 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.613 -5.219 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.083 -4.367 -5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.900 -6.559 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.449 -7.378 -5.476 1.00 0.00 H new ATOM 527 N CYS A 389 -7.845 -4.230 -1.933 1.00 0.00 N ATOM 528 CA CYS A 389 -8.305 -3.055 -1.204 1.00 0.00 C ATOM 529 C CYS A 389 -7.175 -2.552 -0.314 1.00 0.00 C ATOM 530 O CYS A 389 -6.921 -3.100 0.760 1.00 0.00 O ATOM 531 CB CYS A 389 -9.545 -3.391 -0.373 1.00 0.00 C ATOM 532 SG CYS A 389 -10.512 -1.936 0.152 1.00 0.00 S ATOM 0 H CYS A 389 -8.382 -5.079 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.583 -2.272 -1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.189 -4.051 -0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.235 -3.946 0.513 1.00 0.00 H new ATOM 537 N LYS A 390 -6.475 -1.530 -0.791 1.00 0.00 N ATOM 538 CA LYS A 390 -5.336 -0.971 -0.074 1.00 0.00 C ATOM 539 C LYS A 390 -5.752 -0.213 1.182 1.00 0.00 C ATOM 540 O LYS A 390 -6.912 0.160 1.345 1.00 0.00 O ATOM 541 CB LYS A 390 -4.526 -0.075 -1.002 1.00 0.00 C ATOM 542 CG LYS A 390 -3.926 -0.830 -2.180 1.00 0.00 C ATOM 543 CD LYS A 390 -3.076 0.077 -3.053 1.00 0.00 C ATOM 544 CE LYS A 390 -2.480 -0.681 -4.227 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.609 -1.802 -3.779 1.00 0.00 N ATOM 0 H LYS A 390 -6.678 -1.069 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.715 -1.804 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.166 0.724 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.725 0.398 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.317 -1.656 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.726 -1.266 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.684 0.903 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.275 0.513 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.283 -1.072 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.900 0.005 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.040 -2.141 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.978 -1.470 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.200 -2.579 -3.421 1.00 0.00 H new ATOM 559 N SER A 391 -4.783 -0.013 2.075 1.00 0.00 N ATOM 560 CA SER A 391 -5.022 0.679 3.341 1.00 0.00 C ATOM 561 C SER A 391 -5.696 2.035 3.129 1.00 0.00 C ATOM 562 O SER A 391 -6.729 2.308 3.741 1.00 0.00 O ATOM 563 CB SER A 391 -3.713 0.856 4.114 1.00 0.00 C ATOM 564 OG SER A 391 -3.933 1.532 5.340 1.00 0.00 O ATOM 0 H SER A 391 -3.820 -0.322 1.944 1.00 0.00 H new ATOM 0 HA SER A 391 -5.700 0.058 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.267 -0.119 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.002 1.417 3.508 1.00 0.00 H new ATOM 0 HG SER A 391 -3.082 1.631 5.816 1.00 0.00 H new ATOM 570 N PRO A 392 -5.140 2.911 2.263 1.00 0.00 N ATOM 571 CA PRO A 392 -5.729 4.217 2.003 1.00 0.00 C ATOM 572 C PRO A 392 -7.211 4.092 1.680 1.00 0.00 C ATOM 573 O PRO A 392 -8.014 4.958 2.029 1.00 0.00 O ATOM 574 CB PRO A 392 -4.957 4.749 0.788 1.00 0.00 C ATOM 575 CG PRO A 392 -4.074 3.646 0.324 1.00 0.00 C ATOM 576 CD PRO A 392 -3.916 2.708 1.476 1.00 0.00 C ATOM 0 HA PRO A 392 -5.660 4.879 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.643 5.054 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.370 5.627 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.511 3.135 -0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.106 4.033 0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.822 1.675 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.023 2.936 2.058 1.00 0.00 H new ATOM 584 N CYS A 393 -7.561 2.996 1.015 1.00 0.00 N ATOM 585 CA CYS A 393 -8.941 2.727 0.643 1.00 0.00 C ATOM 586 C CYS A 393 -9.769 2.359 1.873 1.00 0.00 C ATOM 587 O CYS A 393 -9.353 2.593 3.007 1.00 0.00 O ATOM 588 CB CYS A 393 -8.995 1.574 -0.367 1.00 0.00 C ATOM 589 SG CYS A 393 -7.806 1.710 -1.742 1.00 0.00 S ATOM 0 H CYS A 393 -6.901 2.276 0.722 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.356 3.629 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.814 0.638 0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.002 1.517 -0.780 1.00 0.00 H new ATOM 594 N LYS A 394 -10.928 1.758 1.630 1.00 0.00 N ATOM 595 CA LYS A 394 -11.826 1.318 2.696 1.00 0.00 C ATOM 596 C LYS A 394 -12.747 0.220 2.187 1.00 0.00 C ATOM 597 O LYS A 394 -13.518 0.427 1.249 1.00 0.00 O ATOM 598 CB LYS A 394 -12.666 2.482 3.235 1.00 0.00 C ATOM 599 CG LYS A 394 -11.896 3.450 4.117 1.00 0.00 C ATOM 600 CD LYS A 394 -12.817 4.472 4.762 1.00 0.00 C ATOM 601 CE LYS A 394 -13.832 3.806 5.673 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.178 3.070 6.792 1.00 0.00 N ATOM 0 H LYS A 394 -11.273 1.561 0.691 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.211 0.932 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.087 3.032 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.504 2.078 3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.367 2.895 4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -11.141 3.964 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -12.226 5.187 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.336 5.036 3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.505 4.561 6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -14.442 3.115 5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.888 2.834 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.749 2.195 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.439 3.667 7.216 1.00 0.00 H new ATOM 616 N TRP A 395 -12.656 -0.949 2.807 1.00 0.00 N ATOM 617 CA TRP A 395 -13.476 -2.084 2.412 1.00 0.00 C ATOM 618 C TRP A 395 -14.897 -1.938 2.945 1.00 0.00 C ATOM 619 O TRP A 395 -15.099 -1.726 4.141 1.00 0.00 O ATOM 620 CB TRP A 395 -12.853 -3.384 2.924 1.00 0.00 C ATOM 621 CG TRP A 395 -13.554 -4.615 2.437 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.095 -5.608 3.202 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.775 -4.994 1.074 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.646 -6.577 2.398 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.461 -6.223 1.087 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.462 -4.411 -0.158 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.837 -6.877 -0.082 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.836 -5.062 -1.318 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.518 -6.285 -1.273 1.00 0.00 C ATOM 0 H TRP A 395 -12.023 -1.135 3.585 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.520 -2.114 1.323 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.809 -3.424 2.614 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.862 -3.377 4.014 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.091 -5.629 4.282 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.116 -7.422 2.724 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.937 -3.468 -0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.363 -7.820 -0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.599 -4.621 -2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.797 -6.770 -2.197 1.00 0.00 H new ATOM 640 N HIS A 396 -15.881 -2.059 2.057 1.00 0.00 N ATOM 641 CA HIS A 396 -17.278 -1.944 2.458 1.00 0.00 C ATOM 642 C HIS A 396 -17.988 -3.287 2.381 1.00 0.00 C ATOM 643 O HIS A 396 -18.433 -3.706 1.307 1.00 0.00 O ATOM 644 CB HIS A 396 -18.013 -0.920 1.589 1.00 0.00 C ATOM 645 CG HIS A 396 -17.474 0.470 1.727 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.451 1.149 2.926 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.938 1.311 0.810 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.924 2.346 2.743 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.604 2.470 1.469 1.00 0.00 N ATOM 0 H HIS A 396 -15.737 -2.235 1.063 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.291 -1.604 3.494 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.947 -1.226 0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.070 -0.920 1.855 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.799 1.109 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.779 3.096 3.507 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.178 3.293 1.042 1.00 0.00 H new ATOM 658 N ASN A 397 -18.106 -3.949 3.531 1.00 0.00 N ATOM 659 CA ASN A 397 -18.784 -5.235 3.607 1.00 0.00 C ATOM 660 C ASN A 397 -20.278 -5.027 3.832 1.00 0.00 C ATOM 661 O ASN A 397 -20.756 -5.002 4.965 1.00 0.00 O ATOM 662 CB ASN A 397 -18.178 -6.095 4.724 1.00 0.00 C ATOM 663 CG ASN A 397 -17.973 -5.328 6.019 1.00 0.00 C ATOM 664 OD1 ASN A 397 -16.722 -5.226 6.452 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -18.924 -4.835 6.625 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.739 -3.613 4.422 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.648 -5.762 2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.830 -6.948 4.913 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.221 -6.494 4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.870 -4.936 6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -18.766 -4.325 7.494 1.00 0.00 H new ATOM 672 N ASP A 398 -21.004 -4.872 2.730 1.00 0.00 N ATOM 673 CA ASP A 398 -22.446 -4.652 2.767 1.00 0.00 C ATOM 674 C ASP A 398 -22.970 -4.436 1.355 1.00 0.00 C ATOM 675 O ASP A 398 -24.091 -4.824 1.029 1.00 0.00 O ATOM 676 CB ASP A 398 -22.790 -3.439 3.637 1.00 0.00 C ATOM 677 CG ASP A 398 -24.284 -3.179 3.700 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.023 -4.073 4.163 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.713 -2.081 3.285 1.00 0.00 O ATOM 0 H ASP A 398 -20.611 -4.895 1.789 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.918 -5.533 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.409 -3.598 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.287 -2.557 3.242 1.00 0.00 H new ATOM 684 N ALA A 399 -22.135 -3.815 0.524 1.00 0.00 N ATOM 685 CA ALA A 399 -22.482 -3.540 -0.864 1.00 0.00 C ATOM 686 C ALA A 399 -23.053 -4.787 -1.532 1.00 0.00 C ATOM 687 O ALA A 399 -22.739 -5.908 -1.133 1.00 0.00 O ATOM 688 CB ALA A 399 -21.255 -3.037 -1.617 1.00 0.00 C ATOM 0 H ALA A 399 -21.206 -3.491 0.794 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.248 -2.765 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.523 -2.834 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.891 -2.122 -1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.473 -3.796 -1.586 1.00 0.00 H new ATOM 694 N GLU A 400 -23.903 -4.586 -2.542 1.00 0.00 N ATOM 695 CA GLU A 400 -24.528 -5.698 -3.260 1.00 0.00 C ATOM 696 C GLU A 400 -23.512 -6.797 -3.554 1.00 0.00 C ATOM 697 O GLU A 400 -23.849 -7.982 -3.570 1.00 0.00 O ATOM 698 CB GLU A 400 -25.155 -5.206 -4.564 1.00 0.00 C ATOM 699 CG GLU A 400 -26.254 -4.176 -4.360 1.00 0.00 C ATOM 700 CD GLU A 400 -26.880 -3.721 -5.666 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.454 -4.212 -6.732 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.798 -2.875 -5.620 1.00 0.00 O ATOM 0 H GLU A 400 -24.174 -3.663 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.310 -6.112 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.376 -4.774 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.564 -6.059 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -27.028 -4.598 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.844 -3.312 -3.838 1.00 0.00 H new ATOM 709 N ASN A 401 -22.268 -6.392 -3.773 1.00 0.00 N ATOM 710 CA ASN A 401 -21.190 -7.329 -4.054 1.00 0.00 C ATOM 711 C ASN A 401 -19.900 -6.838 -3.415 1.00 0.00 C ATOM 712 O ASN A 401 -18.804 -7.144 -3.887 1.00 0.00 O ATOM 713 CB ASN A 401 -21.003 -7.478 -5.563 1.00 0.00 C ATOM 714 CG ASN A 401 -22.277 -7.904 -6.261 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.740 -9.033 -6.105 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.863 -6.985 -7.018 1.00 0.00 N ATOM 0 H ASN A 401 -21.980 -5.414 -3.761 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.447 -8.302 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.663 -6.530 -5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.221 -8.212 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -23.735 -7.202 -7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.441 -6.062 -7.117 1.00 0.00 H new ATOM 723 N LYS A 402 -20.051 -6.068 -2.338 1.00 0.00 N ATOM 724 CA LYS A 402 -18.913 -5.507 -1.612 1.00 0.00 C ATOM 725 C LYS A 402 -18.145 -4.530 -2.496 1.00 0.00 C ATOM 726 O LYS A 402 -17.944 -4.784 -3.684 1.00 0.00 O ATOM 727 CB LYS A 402 -17.987 -6.618 -1.109 1.00 0.00 C ATOM 728 CG LYS A 402 -18.568 -7.437 0.037 1.00 0.00 C ATOM 729 CD LYS A 402 -19.807 -8.212 -0.384 1.00 0.00 C ATOM 730 CE LYS A 402 -20.385 -9.006 0.776 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.750 -8.127 1.922 1.00 0.00 N ATOM 0 H LYS A 402 -20.959 -5.817 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 402 -19.295 -4.965 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.754 -7.286 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -17.046 -6.174 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.813 -8.133 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.820 -6.774 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -20.559 -7.520 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.555 -8.889 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -21.268 -9.550 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.659 -9.749 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -21.377 -8.645 2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.888 -7.841 2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -21.241 -7.281 1.568 1.00 0.00 H new ATOM 745 N LYS A 403 -17.732 -3.399 -1.928 1.00 0.00 N ATOM 746 CA LYS A 403 -17.013 -2.400 -2.713 1.00 0.00 C ATOM 747 C LYS A 403 -15.904 -1.708 -1.925 1.00 0.00 C ATOM 748 O LYS A 403 -16.100 -1.286 -0.784 1.00 0.00 O ATOM 749 CB LYS A 403 -17.983 -1.341 -3.235 1.00 0.00 C ATOM 750 CG LYS A 403 -19.116 -1.906 -4.075 1.00 0.00 C ATOM 751 CD LYS A 403 -19.984 -0.801 -4.657 1.00 0.00 C ATOM 752 CE LYS A 403 -20.634 0.036 -3.564 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.458 1.141 -4.128 1.00 0.00 N ATOM 0 H LYS A 403 -17.879 -3.155 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.548 -2.936 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.406 -0.801 -2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.428 -0.616 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.704 -2.510 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.729 -2.567 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.377 -0.159 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.757 -1.239 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.260 -0.603 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.861 0.452 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.884 1.688 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.856 1.765 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.211 0.743 -4.725 1.00 0.00 H new ATOM 767 N CYS A 404 -14.746 -1.565 -2.568 1.00 0.00 N ATOM 768 CA CYS A 404 -13.601 -0.888 -1.969 1.00 0.00 C ATOM 769 C CYS A 404 -13.530 0.544 -2.495 1.00 0.00 C ATOM 770 O CYS A 404 -13.660 0.770 -3.698 1.00 0.00 O ATOM 771 CB CYS A 404 -12.303 -1.634 -2.302 1.00 0.00 C ATOM 772 SG CYS A 404 -10.804 -0.894 -1.573 1.00 0.00 S ATOM 0 H CYS A 404 -14.577 -1.913 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.721 -0.874 -0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.391 -2.664 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.186 -1.670 -3.385 1.00 0.00 H new ATOM 777 N THR A 405 -13.340 1.512 -1.602 1.00 0.00 N ATOM 778 CA THR A 405 -13.277 2.912 -2.013 1.00 0.00 C ATOM 779 C THR A 405 -12.224 3.689 -1.232 1.00 0.00 C ATOM 780 O THR A 405 -12.083 3.524 -0.020 1.00 0.00 O ATOM 781 CB THR A 405 -14.639 3.610 -1.834 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.016 3.600 -0.453 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.714 2.920 -2.662 1.00 0.00 C ATOM 0 H THR A 405 -13.228 1.356 -0.600 1.00 0.00 H new ATOM 0 HA THR A 405 -13.003 2.907 -3.068 1.00 0.00 H new ATOM 0 HB THR A 405 -14.542 4.640 -2.178 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.273 4.505 -0.177 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.667 3.430 -2.519 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.439 2.953 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.808 1.882 -2.344 1.00 0.00 H new ATOM 791 N LEU A 406 -11.492 4.545 -1.941 1.00 0.00 N ATOM 792 CA LEU A 406 -10.452 5.361 -1.334 1.00 0.00 C ATOM 793 C LEU A 406 -11.053 6.317 -0.317 1.00 0.00 C ATOM 794 O LEU A 406 -12.144 6.852 -0.514 1.00 0.00 O ATOM 795 CB LEU A 406 -9.693 6.134 -2.413 1.00 0.00 C ATOM 796 CG LEU A 406 -8.363 6.764 -1.984 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.588 8.009 -1.145 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.508 5.758 -1.231 1.00 0.00 C ATOM 0 H LEU A 406 -11.604 4.690 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.751 4.706 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.499 5.459 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.342 6.925 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.830 7.061 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.626 8.432 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.148 8.743 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.152 7.747 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.569 6.227 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.041 5.422 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.300 4.903 -1.875 1.00 0.00 H new ATOM 810 N ASP A 407 -10.329 6.520 0.769 1.00 0.00 N ATOM 811 CA ASP A 407 -10.777 7.408 1.832 1.00 0.00 C ATOM 812 C ASP A 407 -9.844 8.608 1.963 1.00 0.00 C ATOM 813 O ASP A 407 -8.625 8.454 2.011 1.00 0.00 O ATOM 814 CB ASP A 407 -10.850 6.645 3.153 1.00 0.00 C ATOM 815 CG ASP A 407 -11.343 7.507 4.297 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.463 8.050 4.191 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.614 7.637 5.303 1.00 0.00 O ATOM 0 H ASP A 407 -9.424 6.081 0.940 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.771 7.777 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.513 5.788 3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.863 6.253 3.397 1.00 0.00 H new ATOM 822 N LYS A 408 -10.427 9.800 2.011 1.00 0.00 N ATOM 823 CA LYS A 408 -9.650 11.029 2.127 1.00 0.00 C ATOM 824 C LYS A 408 -8.884 11.084 3.445 1.00 0.00 C ATOM 825 O LYS A 408 -7.718 11.473 3.476 1.00 0.00 O ATOM 826 CB LYS A 408 -10.568 12.250 2.013 1.00 0.00 C ATOM 827 CG LYS A 408 -11.300 12.346 0.684 1.00 0.00 C ATOM 828 CD LYS A 408 -10.333 12.512 -0.478 1.00 0.00 C ATOM 829 CE LYS A 408 -11.070 12.643 -1.801 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.918 11.452 -2.082 1.00 0.00 N ATOM 0 H LYS A 408 -11.436 9.942 1.971 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.927 11.040 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.301 12.218 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.975 13.153 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.900 11.449 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.989 13.190 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.715 13.395 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.660 11.655 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.693 13.537 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.349 12.774 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.241 11.481 -3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.364 10.586 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.742 11.455 -1.448 1.00 0.00 H new ATOM 844 N GLU A 409 -9.550 10.707 4.530 1.00 0.00 N ATOM 845 CA GLU A 409 -8.937 10.727 5.853 1.00 0.00 C ATOM 846 C GLU A 409 -7.733 9.791 5.933 1.00 0.00 C ATOM 847 O GLU A 409 -6.665 10.179 6.401 1.00 0.00 O ATOM 848 CB GLU A 409 -9.969 10.340 6.914 1.00 0.00 C ATOM 849 CG GLU A 409 -9.406 10.308 8.325 1.00 0.00 C ATOM 850 CD GLU A 409 -10.440 9.907 9.358 1.00 0.00 C ATOM 851 OE1 GLU A 409 -10.989 8.791 9.248 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.700 10.710 10.280 1.00 0.00 O ATOM 0 H GLU A 409 -10.517 10.383 4.520 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.584 11.741 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.798 11.047 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.377 9.359 6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.571 9.609 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.010 11.292 8.576 1.00 0.00 H new ATOM 859 N GLU A 410 -7.913 8.555 5.486 1.00 0.00 N ATOM 860 CA GLU A 410 -6.841 7.566 5.523 1.00 0.00 C ATOM 861 C GLU A 410 -5.709 7.936 4.568 1.00 0.00 C ATOM 862 O GLU A 410 -4.533 7.812 4.908 1.00 0.00 O ATOM 863 CB GLU A 410 -7.390 6.181 5.174 1.00 0.00 C ATOM 864 CG GLU A 410 -6.360 5.070 5.289 1.00 0.00 C ATOM 865 CD GLU A 410 -5.810 4.930 6.696 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.608 4.668 7.621 1.00 0.00 O ATOM 867 OE2 GLU A 410 -4.583 5.082 6.871 1.00 0.00 O ATOM 0 H GLU A 410 -8.790 8.213 5.094 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.436 7.549 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.229 5.956 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.779 6.200 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.813 4.127 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.539 5.267 4.600 1.00 0.00 H new ATOM 874 N ALA A 411 -6.073 8.377 3.368 1.00 0.00 N ATOM 875 CA ALA A 411 -5.091 8.749 2.354 1.00 0.00 C ATOM 876 C ALA A 411 -4.223 9.922 2.795 1.00 0.00 C ATOM 877 O ALA A 411 -3.006 9.894 2.622 1.00 0.00 O ATOM 878 CB ALA A 411 -5.789 9.076 1.044 1.00 0.00 C ATOM 0 H ALA A 411 -7.043 8.486 3.073 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.431 7.893 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.047 9.352 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.344 8.203 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.477 9.907 1.196 1.00 0.00 H new ATOM 884 N LYS A 412 -4.846 10.956 3.348 1.00 0.00 N ATOM 885 CA LYS A 412 -4.107 12.133 3.793 1.00 0.00 C ATOM 886 C LYS A 412 -3.122 11.773 4.904 1.00 0.00 C ATOM 887 O LYS A 412 -1.991 12.261 4.923 1.00 0.00 O ATOM 888 CB LYS A 412 -5.067 13.234 4.257 1.00 0.00 C ATOM 889 CG LYS A 412 -5.891 12.868 5.481 1.00 0.00 C ATOM 890 CD LYS A 412 -6.896 13.958 5.828 1.00 0.00 C ATOM 891 CE LYS A 412 -6.210 15.280 6.142 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.190 16.351 6.470 1.00 0.00 N ATOM 0 H LYS A 412 -5.854 11.005 3.499 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.536 12.512 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.492 14.133 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.743 13.480 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.418 11.931 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.228 12.700 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.586 14.095 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.491 13.644 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.527 15.144 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.608 15.588 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.682 17.235 6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.826 16.499 5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.747 16.069 7.301 1.00 0.00 H new