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= 0.174 K(o=0.44,f=-3.5) USER MOD Set 1.2: A 405 THR OG1 : rot 27:sc= 0.264 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -39:sc= -1.12! USER MOD Single : A 382 ASN :FLIP amide:sc= -1.65 F(o=-5.2!,f=-1.6) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -116:sc= -0.523 (180deg=-3.48!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc=-0.00294 X(o=-0.0029,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 165:sc= -0.0525 (180deg=-0.299) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -166:sc= -0.0237 (180deg=-0.183) USER MOD Single : A 397 ASN :FLIP amide:sc= 0.349 F(o=-1.4,f=0.35) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.698 F(o=-4.5!,f=-0.7) USER MOD Single : A 402 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0528) 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+ 169:sc= -0.017 (180deg=-0.199) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.309 5.754 -2.747 1.00 0.00 N ATOM 340 CA GLU A 376 -3.898 5.659 -4.075 1.00 0.00 C ATOM 341 C GLU A 376 -5.000 6.696 -4.254 1.00 0.00 C ATOM 342 O GLU A 376 -4.927 7.795 -3.703 1.00 0.00 O ATOM 343 CB GLU A 376 -4.442 4.244 -4.291 1.00 0.00 C ATOM 344 CG GLU A 376 -3.417 3.153 -4.018 1.00 0.00 C ATOM 345 CD GLU A 376 -2.235 3.203 -4.969 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.237 4.056 -5.882 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.308 2.381 -4.804 1.00 0.00 O ATOM 0 HA GLU A 376 -3.129 5.862 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.305 4.092 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.795 4.152 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.057 3.248 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.900 2.179 -4.098 1.00 0.00 H new ATOM 354 N THR A 377 -6.016 6.344 -5.030 1.00 0.00 N ATOM 355 CA THR A 377 -7.129 7.243 -5.290 1.00 0.00 C ATOM 356 C THR A 377 -8.433 6.467 -5.380 1.00 0.00 C ATOM 357 O THR A 377 -8.434 5.278 -5.699 1.00 0.00 O ATOM 358 CB THR A 377 -6.911 8.040 -6.586 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.848 7.150 -7.708 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.626 8.849 -6.503 1.00 0.00 C ATOM 0 H THR A 377 -6.091 5.438 -5.492 1.00 0.00 H new ATOM 0 HA THR A 377 -7.186 7.945 -4.458 1.00 0.00 H new ATOM 0 HB THR A 377 -7.751 8.723 -6.715 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.711 7.668 -8.529 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.487 9.407 -7.429 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.687 9.544 -5.666 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.781 8.176 -6.355 1.00 0.00 H new ATOM 368 N GLU A 378 -9.537 7.141 -5.081 1.00 0.00 N ATOM 369 CA GLU A 378 -10.850 6.507 -5.112 1.00 0.00 C ATOM 370 C GLU A 378 -11.022 5.690 -6.383 1.00 0.00 C ATOM 371 O GLU A 378 -11.590 4.600 -6.362 1.00 0.00 O ATOM 372 CB GLU A 378 -11.952 7.563 -5.020 1.00 0.00 C ATOM 373 CG GLU A 378 -13.348 6.975 -4.900 1.00 0.00 C ATOM 374 CD GLU A 378 -14.430 8.037 -4.889 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.403 8.901 -3.988 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.303 8.005 -5.781 1.00 0.00 O ATOM 0 H GLU A 378 -9.550 8.125 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.926 5.838 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.760 8.202 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.909 8.199 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.523 6.292 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.413 6.386 -3.985 1.00 0.00 H new ATOM 383 N GLY A 379 -10.527 6.230 -7.487 1.00 0.00 N ATOM 384 CA GLY A 379 -10.633 5.547 -8.759 1.00 0.00 C ATOM 385 C GLY A 379 -9.887 4.230 -8.795 1.00 0.00 C ATOM 386 O GLY A 379 -10.386 3.247 -9.343 1.00 0.00 O ATOM 0 H GLY A 379 -10.052 7.132 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.685 5.367 -8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.248 6.196 -9.545 1.00 0.00 H new ATOM 390 N SER A 380 -8.689 4.203 -8.223 1.00 0.00 N ATOM 391 CA SER A 380 -7.890 2.983 -8.213 1.00 0.00 C ATOM 392 C SER A 380 -8.516 1.922 -7.314 1.00 0.00 C ATOM 393 O SER A 380 -8.683 0.773 -7.720 1.00 0.00 O ATOM 394 CB SER A 380 -6.463 3.281 -7.747 1.00 0.00 C ATOM 395 OG SER A 380 -6.453 3.752 -6.413 1.00 0.00 O ATOM 0 H SER A 380 -8.253 5.003 -7.764 1.00 0.00 H new ATOM 0 HA SER A 380 -7.860 2.598 -9.232 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.856 2.379 -7.822 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.011 4.025 -8.403 1.00 0.00 H new ATOM 0 HG SER A 380 -7.215 4.352 -6.272 1.00 0.00 H new ATOM 401 N CYS A 381 -8.855 2.315 -6.090 1.00 0.00 N ATOM 402 CA CYS A 381 -9.452 1.400 -5.120 1.00 0.00 C ATOM 403 C CYS A 381 -10.679 0.688 -5.683 1.00 0.00 C ATOM 404 O CYS A 381 -10.838 -0.520 -5.503 1.00 0.00 O ATOM 405 CB CYS A 381 -9.832 2.162 -3.851 1.00 0.00 C ATOM 406 SG CYS A 381 -8.424 2.957 -3.015 1.00 0.00 S ATOM 0 H CYS A 381 -8.726 3.266 -5.744 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.708 0.639 -4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.569 2.924 -4.104 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.312 1.473 -3.156 1.00 0.00 H new ATOM 411 N ASN A 382 -11.542 1.439 -6.359 1.00 0.00 N ATOM 412 CA ASN A 382 -12.756 0.872 -6.942 1.00 0.00 C ATOM 413 C ASN A 382 -12.436 -0.325 -7.828 1.00 0.00 C ATOM 414 O ASN A 382 -13.238 -1.251 -7.953 1.00 0.00 O ATOM 415 CB ASN A 382 -13.502 1.928 -7.761 1.00 0.00 C ATOM 416 CG ASN A 382 -13.955 3.114 -6.928 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.651 3.091 -5.635 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.573 4.045 -7.445 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.425 2.440 -6.517 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.389 0.538 -6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.855 2.281 -8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.371 1.468 -8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.787 4.024 -8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.871 4.837 -6.876 1.00 0.00 H new ATOM 425 N LYS A 383 -11.264 -0.295 -8.449 1.00 0.00 N ATOM 426 CA LYS A 383 -10.839 -1.368 -9.333 1.00 0.00 C ATOM 427 C LYS A 383 -10.265 -2.531 -8.535 1.00 0.00 C ATOM 428 O LYS A 383 -10.430 -3.695 -8.904 1.00 0.00 O ATOM 429 CB LYS A 383 -9.800 -0.843 -10.324 1.00 0.00 C ATOM 430 CG LYS A 383 -10.182 0.490 -10.955 1.00 0.00 C ATOM 431 CD LYS A 383 -11.541 0.428 -11.639 1.00 0.00 C ATOM 432 CE LYS A 383 -11.548 -0.561 -12.797 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.880 -0.628 -13.461 1.00 0.00 N ATOM 0 H LYS A 383 -10.590 0.465 -8.355 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.708 -1.729 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.844 -0.733 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.656 -1.581 -11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.197 1.264 -10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.423 0.778 -11.682 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.301 0.141 -10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.809 1.419 -12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.792 -0.271 -13.527 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.274 -1.551 -12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.844 -1.312 -14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.597 -0.929 -12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.130 0.311 -13.833 1.00 0.00 H new ATOM 447 N LYS A 384 -9.581 -2.205 -7.446 1.00 0.00 N ATOM 448 CA LYS A 384 -8.967 -3.207 -6.592 1.00 0.00 C ATOM 449 C LYS A 384 -10.012 -4.082 -5.908 1.00 0.00 C ATOM 450 O LYS A 384 -10.913 -3.580 -5.235 1.00 0.00 O ATOM 451 CB LYS A 384 -8.096 -2.512 -5.547 1.00 0.00 C ATOM 452 CG LYS A 384 -6.728 -2.069 -6.058 1.00 0.00 C ATOM 453 CD LYS A 384 -6.794 -1.384 -7.415 1.00 0.00 C ATOM 454 CE LYS A 384 -6.513 -2.355 -8.552 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.551 -1.680 -9.879 1.00 0.00 N ATOM 0 H LYS A 384 -9.438 -1.245 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.353 -3.859 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.629 -1.639 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.954 -3.187 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.279 -1.388 -5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.073 -2.938 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.781 -0.941 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.071 -0.569 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.535 -2.813 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.248 -3.160 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.331 -2.070 -10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.697 -0.659 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.651 -1.838 -10.375 1.00 0.00 H new ATOM 469 N ASP A 385 -9.873 -5.396 -6.072 1.00 0.00 N ATOM 470 CA ASP A 385 -10.792 -6.345 -5.456 1.00 0.00 C ATOM 471 C ASP A 385 -10.554 -6.403 -3.952 1.00 0.00 C ATOM 472 O ASP A 385 -9.753 -5.640 -3.421 1.00 0.00 O ATOM 473 CB ASP A 385 -10.620 -7.734 -6.071 1.00 0.00 C ATOM 474 CG ASP A 385 -10.914 -7.751 -7.558 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.219 -7.034 -8.309 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.840 -8.480 -7.972 1.00 0.00 O ATOM 0 H ASP A 385 -9.132 -5.826 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.813 -6.010 -5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.600 -8.079 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.282 -8.436 -5.565 1.00 0.00 H new ATOM 481 N GLN A 386 -11.248 -7.312 -3.272 1.00 0.00 N ATOM 482 CA GLN A 386 -11.103 -7.459 -1.825 1.00 0.00 C ATOM 483 C GLN A 386 -9.632 -7.538 -1.424 1.00 0.00 C ATOM 484 O GLN A 386 -9.160 -6.757 -0.597 1.00 0.00 O ATOM 485 CB GLN A 386 -11.840 -8.710 -1.343 1.00 0.00 C ATOM 486 CG GLN A 386 -11.725 -8.950 0.154 1.00 0.00 C ATOM 487 CD GLN A 386 -12.449 -10.205 0.599 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.141 -11.308 0.146 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.418 -10.044 1.492 1.00 0.00 N ATOM 0 H GLN A 386 -11.915 -7.956 -3.697 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.541 -6.579 -1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.894 -8.625 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.448 -9.578 -1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.672 -9.026 0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.131 -8.091 0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.640 -9.112 1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.940 -10.853 1.829 1.00 0.00 H new ATOM 498 N ASN A 387 -8.912 -8.480 -2.022 1.00 0.00 N ATOM 499 CA ASN A 387 -7.498 -8.665 -1.736 1.00 0.00 C ATOM 500 C ASN A 387 -6.676 -7.471 -2.216 1.00 0.00 C ATOM 501 O ASN A 387 -5.652 -7.132 -1.621 1.00 0.00 O ATOM 502 CB ASN A 387 -6.999 -9.948 -2.399 1.00 0.00 C ATOM 503 CG ASN A 387 -5.508 -10.138 -2.241 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.994 -10.227 -1.126 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.807 -10.203 -3.363 1.00 0.00 N ATOM 0 H ASN A 387 -9.289 -9.130 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.375 -8.744 -0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.519 -10.803 -1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.249 -9.926 -3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.796 -10.332 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.278 -10.124 -4.264 1.00 0.00 H new ATOM 512 N GLU A 388 -7.125 -6.845 -3.299 1.00 0.00 N ATOM 513 CA GLU A 388 -6.426 -5.697 -3.865 1.00 0.00 C ATOM 514 C GLU A 388 -6.752 -4.415 -3.111 1.00 0.00 C ATOM 515 O GLU A 388 -6.064 -3.406 -3.273 1.00 0.00 O ATOM 516 CB GLU A 388 -6.773 -5.542 -5.346 1.00 0.00 C ATOM 517 CG GLU A 388 -6.368 -6.736 -6.196 1.00 0.00 C ATOM 518 CD GLU A 388 -6.725 -6.562 -7.660 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.275 -5.498 -8.018 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.451 -7.489 -8.451 1.00 0.00 O ATOM 0 H GLU A 388 -7.970 -7.114 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.356 -5.879 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.847 -5.385 -5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.283 -4.648 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.293 -6.894 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.855 -7.632 -5.812 1.00 0.00 H new ATOM 527 N CYS A 389 -7.798 -4.449 -2.288 1.00 0.00 N ATOM 528 CA CYS A 389 -8.187 -3.274 -1.523 1.00 0.00 C ATOM 529 C CYS A 389 -7.023 -2.845 -0.637 1.00 0.00 C ATOM 530 O CYS A 389 -6.773 -3.436 0.414 1.00 0.00 O ATOM 531 CB CYS A 389 -9.432 -3.569 -0.682 1.00 0.00 C ATOM 532 SG CYS A 389 -10.331 -2.082 -0.127 1.00 0.00 S ATOM 0 H CYS A 389 -8.384 -5.270 -2.137 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.433 -2.461 -2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.110 -4.193 -1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.137 -4.149 0.193 1.00 0.00 H new ATOM 537 N LYS A 390 -6.297 -1.831 -1.094 1.00 0.00 N ATOM 538 CA LYS A 390 -5.129 -1.330 -0.379 1.00 0.00 C ATOM 539 C LYS A 390 -5.513 -0.606 0.909 1.00 0.00 C ATOM 540 O LYS A 390 -6.674 -0.259 1.116 1.00 0.00 O ATOM 541 CB LYS A 390 -4.322 -0.418 -1.297 1.00 0.00 C ATOM 542 CG LYS A 390 -3.765 -1.142 -2.516 1.00 0.00 C ATOM 543 CD LYS A 390 -2.934 -0.212 -3.386 1.00 0.00 C ATOM 544 CE LYS A 390 -2.397 -0.929 -4.614 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.492 -1.461 -5.471 1.00 0.00 N ATOM 0 H LYS A 390 -6.499 -1.337 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.516 -2.183 -0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.954 0.406 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.498 0.019 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.152 -1.983 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.586 -1.553 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.542 0.638 -3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.103 0.187 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.782 -0.242 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.750 -1.749 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -3.111 -1.712 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.902 -2.307 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -4.230 -0.736 -5.582 1.00 0.00 H new ATOM 559 N SER A 391 -4.522 -0.403 1.781 1.00 0.00 N ATOM 560 CA SER A 391 -4.738 0.253 3.061 1.00 0.00 C ATOM 561 C SER A 391 -5.466 1.589 2.897 1.00 0.00 C ATOM 562 O SER A 391 -6.520 1.791 3.501 1.00 0.00 O ATOM 563 CB SER A 391 -3.403 0.446 3.779 1.00 0.00 C ATOM 564 OG SER A 391 -2.778 -0.799 4.037 1.00 0.00 O ATOM 0 H SER A 391 -3.557 -0.688 1.616 1.00 0.00 H new ATOM 0 HA SER A 391 -5.378 -0.389 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.746 1.067 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.565 0.977 4.717 1.00 0.00 H new ATOM 0 HG SER A 391 -1.925 -0.648 4.495 1.00 0.00 H new ATOM 570 N PRO A 392 -4.937 2.526 2.075 1.00 0.00 N ATOM 571 CA PRO A 392 -5.580 3.820 1.855 1.00 0.00 C ATOM 572 C PRO A 392 -7.046 3.649 1.478 1.00 0.00 C ATOM 573 O PRO A 392 -7.878 4.518 1.732 1.00 0.00 O ATOM 574 CB PRO A 392 -4.789 4.428 0.686 1.00 0.00 C ATOM 575 CG PRO A 392 -3.961 3.321 0.138 1.00 0.00 C ATOM 576 CD PRO A 392 -3.698 2.416 1.293 1.00 0.00 C ATOM 0 HA PRO A 392 -5.572 4.446 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.460 4.828 -0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.163 5.254 1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.485 2.797 -0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.030 3.699 -0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.512 1.391 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.827 2.733 1.867 1.00 0.00 H new ATOM 584 N CYS A 393 -7.351 2.511 0.871 1.00 0.00 N ATOM 585 CA CYS A 393 -8.713 2.210 0.464 1.00 0.00 C ATOM 586 C CYS A 393 -9.533 1.733 1.654 1.00 0.00 C ATOM 587 O CYS A 393 -9.015 1.082 2.562 1.00 0.00 O ATOM 588 CB CYS A 393 -8.725 1.140 -0.619 1.00 0.00 C ATOM 589 SG CYS A 393 -7.562 1.440 -1.987 1.00 0.00 S ATOM 0 H CYS A 393 -6.673 1.782 0.650 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.154 3.124 0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.491 0.177 -0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.733 1.064 -1.026 1.00 0.00 H new ATOM 594 N LYS A 394 -10.816 2.049 1.631 1.00 0.00 N ATOM 595 CA LYS A 394 -11.729 1.646 2.693 1.00 0.00 C ATOM 596 C LYS A 394 -12.601 0.491 2.225 1.00 0.00 C ATOM 597 O LYS A 394 -13.339 0.614 1.248 1.00 0.00 O ATOM 598 CB LYS A 394 -12.603 2.827 3.123 1.00 0.00 C ATOM 599 CG LYS A 394 -13.628 2.474 4.191 1.00 0.00 C ATOM 600 CD LYS A 394 -14.504 3.666 4.547 1.00 0.00 C ATOM 601 CE LYS A 394 -13.694 4.783 5.178 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.106 4.373 6.483 1.00 0.00 N ATOM 0 H LYS A 394 -11.254 2.587 0.884 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.141 1.318 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.961 3.625 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.123 3.220 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.254 1.655 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.115 2.120 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.999 4.036 3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.288 3.350 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.896 5.082 4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -14.331 5.655 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.767 5.215 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.830 3.892 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.310 3.725 6.317 1.00 0.00 H new ATOM 616 N TRP A 395 -12.506 -0.633 2.924 1.00 0.00 N ATOM 617 CA TRP A 395 -13.284 -1.810 2.568 1.00 0.00 C ATOM 618 C TRP A 395 -14.716 -1.693 3.084 1.00 0.00 C ATOM 619 O TRP A 395 -14.944 -1.600 4.290 1.00 0.00 O ATOM 620 CB TRP A 395 -12.618 -3.067 3.133 1.00 0.00 C ATOM 621 CG TRP A 395 -13.251 -4.342 2.664 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.711 -5.362 3.446 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.483 -4.737 1.306 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.219 -6.366 2.659 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.091 -6.007 1.342 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.241 -4.143 0.062 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.455 -6.691 0.187 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.604 -4.824 -1.083 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.206 -6.086 -1.014 1.00 0.00 C ATOM 0 H TRP A 395 -11.901 -0.753 3.736 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.320 -1.883 1.481 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.565 -3.068 2.851 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.657 -3.031 4.222 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.680 -5.377 4.525 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.626 -7.237 2.999 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.778 -3.169 -0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.918 -7.665 0.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.420 -4.375 -2.048 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.479 -6.592 -1.928 1.00 0.00 H new ATOM 640 N HIS A 396 -15.678 -1.707 2.164 1.00 0.00 N ATOM 641 CA HIS A 396 -17.086 -1.610 2.531 1.00 0.00 C ATOM 642 C HIS A 396 -17.716 -2.989 2.654 1.00 0.00 C ATOM 643 O HIS A 396 -18.120 -3.582 1.650 1.00 0.00 O ATOM 644 CB HIS A 396 -17.858 -0.785 1.498 1.00 0.00 C ATOM 645 CG HIS A 396 -17.540 0.676 1.540 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.739 1.458 2.658 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.033 1.500 0.592 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.372 2.700 2.395 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.940 2.751 1.150 1.00 0.00 N ATOM 0 H HIS A 396 -15.507 -1.784 1.161 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.140 -1.113 3.499 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.638 -1.168 0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.927 -0.921 1.662 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.754 1.225 -0.414 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.418 3.532 3.083 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.593 3.586 0.678 1.00 0.00 H new ATOM 658 N ASN A 397 -17.817 -3.490 3.884 1.00 0.00 N ATOM 659 CA ASN A 397 -18.424 -4.791 4.116 1.00 0.00 C ATOM 660 C ASN A 397 -19.941 -4.675 4.033 1.00 0.00 C ATOM 661 O ASN A 397 -20.622 -4.501 5.044 1.00 0.00 O ATOM 662 CB ASN A 397 -17.992 -5.347 5.478 1.00 0.00 C ATOM 663 CG ASN A 397 -18.079 -4.315 6.588 1.00 0.00 C ATOM 664 OD1 ASN A 397 -16.938 -3.999 7.189 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -19.154 -3.808 6.903 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.488 -3.017 4.726 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.086 -5.485 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.619 -6.201 5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.968 -5.713 5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.008 -4.079 6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.192 -3.116 7.652 1.00 0.00 H new ATOM 672 N ASP A 398 -20.448 -4.771 2.805 1.00 0.00 N ATOM 673 CA ASP A 398 -21.877 -4.674 2.519 1.00 0.00 C ATOM 674 C ASP A 398 -22.069 -4.457 1.019 1.00 0.00 C ATOM 675 O ASP A 398 -21.755 -5.337 0.220 1.00 0.00 O ATOM 676 CB ASP A 398 -22.526 -3.530 3.312 1.00 0.00 C ATOM 677 CG ASP A 398 -24.032 -3.473 3.136 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.582 -4.334 2.417 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.663 -2.566 3.720 1.00 0.00 O ATOM 0 H ASP A 398 -19.874 -4.919 1.975 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.363 -5.601 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.293 -3.649 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.092 -2.582 2.995 1.00 0.00 H new ATOM 684 N ALA A 399 -22.569 -3.277 0.641 1.00 0.00 N ATOM 685 CA ALA A 399 -22.779 -2.946 -0.764 1.00 0.00 C ATOM 686 C ALA A 399 -23.546 -4.055 -1.484 1.00 0.00 C ATOM 687 O ALA A 399 -24.126 -4.935 -0.847 1.00 0.00 O ATOM 688 CB ALA A 399 -21.432 -2.686 -1.439 1.00 0.00 C ATOM 0 H ALA A 399 -22.835 -2.538 1.291 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.384 -2.041 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.593 -2.439 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.931 -1.855 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.811 -3.579 -1.367 1.00 0.00 H new ATOM 694 N GLU A 400 -23.534 -4.020 -2.814 1.00 0.00 N ATOM 695 CA GLU A 400 -24.217 -5.037 -3.607 1.00 0.00 C ATOM 696 C GLU A 400 -23.448 -6.350 -3.528 1.00 0.00 C ATOM 697 O GLU A 400 -24.020 -7.436 -3.627 1.00 0.00 O ATOM 698 CB GLU A 400 -24.347 -4.585 -5.062 1.00 0.00 C ATOM 699 CG GLU A 400 -25.103 -5.571 -5.940 1.00 0.00 C ATOM 700 CD GLU A 400 -25.249 -5.086 -7.370 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.214 -4.899 -8.042 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.400 -4.893 -7.816 1.00 0.00 O ATOM 0 H GLU A 400 -23.061 -3.302 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.219 -5.185 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.856 -3.621 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.351 -4.432 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.582 -6.528 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.092 -5.745 -5.516 1.00 0.00 H new ATOM 709 N ASN A 401 -22.139 -6.224 -3.339 1.00 0.00 N ATOM 710 CA ASN A 401 -21.245 -7.368 -3.233 1.00 0.00 C ATOM 711 C ASN A 401 -19.878 -6.902 -2.745 1.00 0.00 C ATOM 712 O ASN A 401 -18.842 -7.270 -3.303 1.00 0.00 O ATOM 713 CB ASN A 401 -21.116 -8.084 -4.583 1.00 0.00 C ATOM 714 CG ASN A 401 -20.624 -7.178 -5.704 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.392 -5.906 -5.398 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.456 -7.623 -6.839 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.668 -5.323 -3.255 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.661 -8.076 -2.516 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.429 -8.923 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.085 -8.499 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.645 -8.606 -7.035 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.128 -7.009 -7.584 1.00 0.00 H new ATOM 723 N LYS A 402 -19.901 -6.064 -1.708 1.00 0.00 N ATOM 724 CA LYS A 402 -18.686 -5.499 -1.126 1.00 0.00 C ATOM 725 C LYS A 402 -18.036 -4.528 -2.104 1.00 0.00 C ATOM 726 O LYS A 402 -17.904 -4.830 -3.292 1.00 0.00 O ATOM 727 CB LYS A 402 -17.695 -6.599 -0.725 1.00 0.00 C ATOM 728 CG LYS A 402 -18.155 -7.450 0.452 1.00 0.00 C ATOM 729 CD LYS A 402 -19.310 -8.370 0.081 1.00 0.00 C ATOM 730 CE LYS A 402 -18.880 -9.431 -0.921 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.003 -10.340 -1.287 1.00 0.00 N ATOM 0 H LYS A 402 -20.760 -5.759 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.966 -4.958 -0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.522 -7.248 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.739 -6.139 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.319 -8.048 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.460 -6.799 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.695 -8.852 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -20.125 -7.781 -0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.497 -8.947 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.062 -10.016 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.620 -11.242 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.595 -10.515 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.579 -9.898 -2.032 1.00 0.00 H new ATOM 745 N LYS A 403 -17.643 -3.355 -1.613 1.00 0.00 N ATOM 746 CA LYS A 403 -17.027 -2.351 -2.476 1.00 0.00 C ATOM 747 C LYS A 403 -15.835 -1.666 -1.810 1.00 0.00 C ATOM 748 O LYS A 403 -15.923 -1.203 -0.674 1.00 0.00 O ATOM 749 CB LYS A 403 -18.058 -1.295 -2.886 1.00 0.00 C ATOM 750 CG LYS A 403 -19.210 -1.853 -3.708 1.00 0.00 C ATOM 751 CD LYS A 403 -20.152 -0.752 -4.176 1.00 0.00 C ATOM 752 CE LYS A 403 -19.458 0.222 -5.117 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.374 1.307 -5.568 1.00 0.00 N ATOM 0 H LYS A 403 -17.738 -3.079 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.661 -2.875 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.458 -0.823 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.558 -0.515 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.815 -2.386 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.765 -2.578 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.009 -1.197 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.537 -0.211 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -18.596 0.660 -4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.080 -0.318 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.863 1.949 -6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.184 0.891 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.715 1.839 -4.742 1.00 0.00 H new ATOM 767 N CYS A 404 -14.724 -1.588 -2.539 1.00 0.00 N ATOM 768 CA CYS A 404 -13.516 -0.939 -2.040 1.00 0.00 C ATOM 769 C CYS A 404 -13.431 0.487 -2.584 1.00 0.00 C ATOM 770 O CYS A 404 -13.500 0.696 -3.795 1.00 0.00 O ATOM 771 CB CYS A 404 -12.276 -1.740 -2.456 1.00 0.00 C ATOM 772 SG CYS A 404 -10.698 -1.058 -1.850 1.00 0.00 S ATOM 0 H CYS A 404 -14.636 -1.968 -3.481 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.557 -0.901 -0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.380 -2.762 -2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.241 -1.792 -3.544 1.00 0.00 H new ATOM 777 N THR A 405 -13.293 1.469 -1.692 1.00 0.00 N ATOM 778 CA THR A 405 -13.217 2.867 -2.114 1.00 0.00 C ATOM 779 C THR A 405 -12.249 3.671 -1.251 1.00 0.00 C ATOM 780 O THR A 405 -12.296 3.614 -0.024 1.00 0.00 O ATOM 781 CB THR A 405 -14.597 3.546 -2.066 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.085 3.567 -0.720 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.591 2.817 -2.956 1.00 0.00 C ATOM 0 H THR A 405 -13.232 1.324 -0.684 1.00 0.00 H new ATOM 0 HA THR A 405 -12.852 2.853 -3.141 1.00 0.00 H new ATOM 0 HB THR A 405 -14.487 4.567 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.328 3.555 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.559 3.316 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.232 2.825 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.696 1.786 -2.617 1.00 0.00 H new ATOM 791 N LEU A 406 -11.378 4.423 -1.915 1.00 0.00 N ATOM 792 CA LEU A 406 -10.382 5.253 -1.247 1.00 0.00 C ATOM 793 C LEU A 406 -11.038 6.275 -0.331 1.00 0.00 C ATOM 794 O LEU A 406 -12.071 6.855 -0.666 1.00 0.00 O ATOM 795 CB LEU A 406 -9.528 5.964 -2.298 1.00 0.00 C ATOM 796 CG LEU A 406 -8.253 6.642 -1.796 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.563 7.898 -1.002 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.425 5.669 -0.978 1.00 0.00 C ATOM 0 H LEU A 406 -11.343 4.474 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.752 4.610 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.250 5.237 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.146 6.718 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.670 6.947 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.632 8.352 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.102 8.604 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.178 7.641 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.520 6.166 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.006 5.327 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.153 4.814 -1.596 1.00 0.00 H new ATOM 810 N ASP A 407 -10.416 6.505 0.819 1.00 0.00 N ATOM 811 CA ASP A 407 -10.920 7.471 1.775 1.00 0.00 C ATOM 812 C ASP A 407 -9.990 8.679 1.849 1.00 0.00 C ATOM 813 O ASP A 407 -8.777 8.533 1.988 1.00 0.00 O ATOM 814 CB ASP A 407 -11.073 6.815 3.144 1.00 0.00 C ATOM 815 CG ASP A 407 -9.825 6.093 3.598 1.00 0.00 C ATOM 816 OD1 ASP A 407 -8.766 6.289 2.973 1.00 0.00 O ATOM 817 OD2 ASP A 407 -9.906 5.342 4.593 1.00 0.00 O ATOM 0 H ASP A 407 -9.560 6.032 1.108 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.900 7.820 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.332 7.577 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -11.903 6.109 3.111 1.00 0.00 H new ATOM 822 N LYS A 408 -10.559 9.870 1.732 1.00 0.00 N ATOM 823 CA LYS A 408 -9.771 11.100 1.763 1.00 0.00 C ATOM 824 C LYS A 408 -9.092 11.309 3.113 1.00 0.00 C ATOM 825 O LYS A 408 -7.944 11.749 3.175 1.00 0.00 O ATOM 826 CB LYS A 408 -10.657 12.301 1.431 1.00 0.00 C ATOM 827 CG LYS A 408 -11.270 12.234 0.043 1.00 0.00 C ATOM 828 CD LYS A 408 -12.105 13.467 -0.259 1.00 0.00 C ATOM 829 CE LYS A 408 -12.693 13.414 -1.659 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.501 14.625 -1.969 1.00 0.00 N ATOM 0 H LYS A 408 -11.562 10.014 1.615 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.987 11.006 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.456 12.369 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.066 13.213 1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.479 12.138 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.893 11.343 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.910 13.550 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.488 14.359 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.888 13.319 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.318 12.526 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.884 14.549 -2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -14.285 14.702 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.899 15.471 -1.901 1.00 0.00 H new ATOM 844 N GLU A 409 -9.809 11.011 4.191 1.00 0.00 N ATOM 845 CA GLU A 409 -9.278 11.187 5.539 1.00 0.00 C ATOM 846 C GLU A 409 -8.038 10.328 5.785 1.00 0.00 C ATOM 847 O GLU A 409 -6.995 10.833 6.199 1.00 0.00 O ATOM 848 CB GLU A 409 -10.357 10.848 6.569 1.00 0.00 C ATOM 849 CG GLU A 409 -9.909 11.046 8.005 1.00 0.00 C ATOM 850 CD GLU A 409 -11.003 10.729 9.006 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.466 9.569 9.031 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.397 11.641 9.764 1.00 0.00 O ATOM 0 H GLU A 409 -10.761 10.646 4.158 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.980 12.231 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.234 11.468 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.665 9.811 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.045 10.411 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.584 12.078 8.142 1.00 0.00 H new ATOM 859 N GLU A 410 -8.158 9.029 5.541 1.00 0.00 N ATOM 860 CA GLU A 410 -7.048 8.108 5.753 1.00 0.00 C ATOM 861 C GLU A 410 -5.933 8.343 4.742 1.00 0.00 C ATOM 862 O GLU A 410 -4.757 8.282 5.087 1.00 0.00 O ATOM 863 CB GLU A 410 -7.532 6.659 5.682 1.00 0.00 C ATOM 864 CG GLU A 410 -6.428 5.629 5.871 1.00 0.00 C ATOM 865 CD GLU A 410 -5.795 5.686 7.249 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.249 6.499 8.082 1.00 0.00 O ATOM 867 OE2 GLU A 410 -4.847 4.910 7.498 1.00 0.00 O ATOM 0 H GLU A 410 -9.012 8.590 5.197 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.646 8.296 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.295 6.503 6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.009 6.493 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.836 4.632 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.658 5.787 5.116 1.00 0.00 H new ATOM 874 N ALA A 411 -6.306 8.602 3.492 1.00 0.00 N ATOM 875 CA ALA A 411 -5.323 8.835 2.441 1.00 0.00 C ATOM 876 C ALA A 411 -4.385 9.984 2.794 1.00 0.00 C ATOM 877 O ALA A 411 -3.168 9.860 2.657 1.00 0.00 O ATOM 878 CB ALA A 411 -6.014 9.108 1.115 1.00 0.00 C ATOM 0 H ALA A 411 -7.277 8.655 3.184 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.722 7.930 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.264 9.280 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.628 8.250 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.646 9.991 1.209 1.00 0.00 H new ATOM 884 N LYS A 412 -4.947 11.102 3.246 1.00 0.00 N ATOM 885 CA LYS A 412 -4.136 12.257 3.608 1.00 0.00 C ATOM 886 C LYS A 412 -3.266 11.953 4.825 1.00 0.00 C ATOM 887 O LYS A 412 -2.126 12.409 4.908 1.00 0.00 O ATOM 888 CB LYS A 412 -5.018 13.496 3.839 1.00 0.00 C ATOM 889 CG LYS A 412 -6.076 13.339 4.924 1.00 0.00 C ATOM 890 CD LYS A 412 -5.507 13.535 6.321 1.00 0.00 C ATOM 891 CE LYS A 412 -4.911 14.925 6.494 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.921 15.996 6.265 1.00 0.00 N ATOM 0 H LYS A 412 -5.951 11.231 3.369 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.469 12.479 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.376 14.338 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.514 13.750 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.875 14.061 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.522 12.347 4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.294 13.381 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -4.740 12.784 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -4.501 15.022 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.082 15.053 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.532 16.911 6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.156 16.041 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.780 15.785 6.811 1.00 0.00 H new