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= 0.429 K(o=0.83,f=-3) USER MOD Set 1.2: A 405 THR OG1 : rot 156:sc= 0.399 USER MOD Set 2.1: A 377 THR OG1 : rot -16:sc= -0.0143 USER MOD Set 2.2: A 380 SER OG : rot -25:sc= 0.0731! USER MOD Single : A 382 ASN :FLIP amide:sc= -0.873 F(o=-4.3!,f=-0.87) USER MOD Single : A 383 LYS NZ :NH3+ 154:sc= -3.46! (180deg=-5.46!) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -128:sc= 0.109 (180deg=-0.249) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.34) USER MOD Single : A 401 ASN :FLIP amide:sc= 0.348 F(o=-0.48,f=0.35) USER MOD Single : A 402 LYS NZ :NH3+ -165:sc= -0.0732 (180deg=-0.372) USER MOD Single : A 403 LYS NZ :NH3+ -115:sc= -4.33! (180deg=-8.03!) USER MOD Single : A 408 LYS NZ :NH3+ -167:sc= -0.0399 (180deg=-0.251) USER MOD Single : A 412 LYS NZ :NH3+ 146:sc= -3.29! (180deg=-5.83!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.352 5.529 -2.695 1.00 0.00 N ATOM 340 CA GLU A 376 -3.971 5.266 -3.987 1.00 0.00 C ATOM 341 C GLU A 376 -4.944 6.385 -4.356 1.00 0.00 C ATOM 342 O GLU A 376 -4.753 7.538 -3.973 1.00 0.00 O ATOM 343 CB GLU A 376 -4.691 3.915 -3.945 1.00 0.00 C ATOM 344 CG GLU A 376 -3.806 2.773 -3.473 1.00 0.00 C ATOM 345 CD GLU A 376 -2.629 2.528 -4.397 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.861 2.231 -5.587 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.475 2.633 -3.930 1.00 0.00 O ATOM 0 HA GLU A 376 -3.196 5.231 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.555 3.992 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.071 3.683 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.437 2.994 -2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.401 1.863 -3.400 1.00 0.00 H new ATOM 354 N THR A 377 -5.985 6.034 -5.100 1.00 0.00 N ATOM 355 CA THR A 377 -6.989 6.999 -5.527 1.00 0.00 C ATOM 356 C THR A 377 -8.349 6.330 -5.639 1.00 0.00 C ATOM 357 O THR A 377 -8.436 5.124 -5.862 1.00 0.00 O ATOM 358 CB THR A 377 -6.624 7.633 -6.884 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.540 6.620 -7.891 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.298 8.375 -6.794 1.00 0.00 C ATOM 0 H THR A 377 -6.156 5.081 -5.422 1.00 0.00 H new ATOM 0 HA THR A 377 -7.025 7.787 -4.774 1.00 0.00 H new ATOM 0 HB THR A 377 -7.405 8.345 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.483 5.739 -7.465 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.060 8.814 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.373 9.164 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.510 7.678 -6.508 1.00 0.00 H new ATOM 368 N GLU A 378 -9.408 7.113 -5.464 1.00 0.00 N ATOM 369 CA GLU A 378 -10.764 6.584 -5.530 1.00 0.00 C ATOM 370 C GLU A 378 -10.945 5.710 -6.762 1.00 0.00 C ATOM 371 O GLU A 378 -11.599 4.669 -6.711 1.00 0.00 O ATOM 372 CB GLU A 378 -11.782 7.722 -5.546 1.00 0.00 C ATOM 373 CG GLU A 378 -13.222 7.246 -5.457 1.00 0.00 C ATOM 374 CD GLU A 378 -14.218 8.388 -5.507 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.219 9.133 -6.509 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.997 8.537 -4.542 1.00 0.00 O ATOM 0 H GLU A 378 -9.353 8.114 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.930 5.973 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.577 8.394 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.654 8.301 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.424 6.556 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.360 6.689 -4.530 1.00 0.00 H new ATOM 383 N GLY A 379 -10.360 6.147 -7.869 1.00 0.00 N ATOM 384 CA GLY A 379 -10.462 5.405 -9.108 1.00 0.00 C ATOM 385 C GLY A 379 -9.799 4.044 -9.046 1.00 0.00 C ATOM 386 O GLY A 379 -10.334 3.067 -9.570 1.00 0.00 O ATOM 0 H GLY A 379 -9.814 7.007 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.514 5.278 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.008 5.987 -9.911 1.00 0.00 H new ATOM 390 N SER A 380 -8.632 3.975 -8.416 1.00 0.00 N ATOM 391 CA SER A 380 -7.905 2.714 -8.308 1.00 0.00 C ATOM 392 C SER A 380 -8.580 1.765 -7.321 1.00 0.00 C ATOM 393 O SER A 380 -8.753 0.579 -7.605 1.00 0.00 O ATOM 394 CB SER A 380 -6.458 2.971 -7.883 1.00 0.00 C ATOM 395 OG SER A 380 -6.402 3.606 -6.618 1.00 0.00 O ATOM 0 H SER A 380 -8.171 4.771 -7.975 1.00 0.00 H new ATOM 0 HA SER A 380 -7.911 2.240 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.914 2.027 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.962 3.593 -8.628 1.00 0.00 H new ATOM 0 HG SER A 380 -7.238 4.091 -6.458 1.00 0.00 H new ATOM 401 N CYS A 381 -8.953 2.294 -6.160 1.00 0.00 N ATOM 402 CA CYS A 381 -9.598 1.500 -5.119 1.00 0.00 C ATOM 403 C CYS A 381 -10.828 0.769 -5.646 1.00 0.00 C ATOM 404 O CYS A 381 -10.983 -0.434 -5.435 1.00 0.00 O ATOM 405 CB CYS A 381 -9.999 2.394 -3.948 1.00 0.00 C ATOM 406 SG CYS A 381 -8.599 3.229 -3.136 1.00 0.00 S ATOM 0 H CYS A 381 -8.819 3.275 -5.915 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.878 0.754 -4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.701 3.148 -4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.527 1.791 -3.209 1.00 0.00 H new ATOM 411 N ASN A 382 -11.703 1.501 -6.328 1.00 0.00 N ATOM 412 CA ASN A 382 -12.924 0.922 -6.879 1.00 0.00 C ATOM 413 C ASN A 382 -12.609 -0.296 -7.737 1.00 0.00 C ATOM 414 O ASN A 382 -13.360 -1.272 -7.753 1.00 0.00 O ATOM 415 CB ASN A 382 -13.677 1.957 -7.717 1.00 0.00 C ATOM 416 CG ASN A 382 -14.078 3.189 -6.924 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.713 3.229 -5.647 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.710 4.101 -7.459 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.589 2.498 -6.513 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.552 0.611 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.051 2.260 -8.556 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.571 1.495 -8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.971 4.032 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.972 4.925 -6.918 1.00 0.00 H new ATOM 425 N LYS A 383 -11.498 -0.225 -8.458 1.00 0.00 N ATOM 426 CA LYS A 383 -11.082 -1.310 -9.333 1.00 0.00 C ATOM 427 C LYS A 383 -10.454 -2.457 -8.546 1.00 0.00 C ATOM 428 O LYS A 383 -10.573 -3.620 -8.933 1.00 0.00 O ATOM 429 CB LYS A 383 -10.095 -0.793 -10.379 1.00 0.00 C ATOM 430 CG LYS A 383 -10.614 0.408 -11.157 1.00 0.00 C ATOM 431 CD LYS A 383 -11.935 0.116 -11.860 1.00 0.00 C ATOM 432 CE LYS A 383 -11.770 -0.866 -13.015 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.391 -2.231 -12.550 1.00 0.00 N ATOM 0 H LYS A 383 -10.867 0.577 -8.453 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.972 -1.694 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.162 -0.521 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.863 -1.597 -11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.745 1.249 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.871 0.708 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.646 -0.289 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.358 1.048 -12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.702 -0.922 -13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.008 -0.493 -13.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.707 -2.935 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.358 -2.288 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.843 -2.423 -11.633 1.00 0.00 H new ATOM 447 N LYS A 384 -9.770 -2.127 -7.452 1.00 0.00 N ATOM 448 CA LYS A 384 -9.115 -3.130 -6.639 1.00 0.00 C ATOM 449 C LYS A 384 -10.093 -4.132 -6.060 1.00 0.00 C ATOM 450 O LYS A 384 -11.252 -3.822 -5.785 1.00 0.00 O ATOM 451 CB LYS A 384 -8.330 -2.470 -5.519 1.00 0.00 C ATOM 452 CG LYS A 384 -7.186 -1.647 -6.040 1.00 0.00 C ATOM 453 CD LYS A 384 -6.231 -2.490 -6.832 1.00 0.00 C ATOM 454 CE LYS A 384 -5.727 -1.705 -8.008 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.393 -1.094 -7.751 1.00 0.00 N ATOM 0 H LYS A 384 -9.659 -1.171 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.435 -3.676 -7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.996 -1.835 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.947 -3.236 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.569 -0.841 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.660 -1.181 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.396 -2.800 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.728 -3.398 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.663 -2.359 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.443 -0.920 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.087 -0.563 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.457 -0.449 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.702 -1.843 -7.545 1.00 0.00 H new ATOM 469 N ASP A 385 -9.583 -5.329 -5.865 1.00 0.00 N ATOM 470 CA ASP A 385 -10.357 -6.425 -5.294 1.00 0.00 C ATOM 471 C ASP A 385 -10.246 -6.399 -3.777 1.00 0.00 C ATOM 472 O ASP A 385 -9.563 -5.543 -3.223 1.00 0.00 O ATOM 473 CB ASP A 385 -9.869 -7.769 -5.838 1.00 0.00 C ATOM 474 CG ASP A 385 -10.027 -7.879 -7.343 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.526 -6.916 -7.962 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.653 -8.931 -7.903 1.00 0.00 O ATOM 0 H ASP A 385 -8.621 -5.576 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.402 -6.301 -5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.820 -7.904 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.424 -8.575 -5.358 1.00 0.00 H new ATOM 481 N GLN A 386 -10.914 -7.333 -3.106 1.00 0.00 N ATOM 482 CA GLN A 386 -10.875 -7.393 -1.647 1.00 0.00 C ATOM 483 C GLN A 386 -9.440 -7.298 -1.136 1.00 0.00 C ATOM 484 O GLN A 386 -9.107 -6.413 -0.346 1.00 0.00 O ATOM 485 CB GLN A 386 -11.521 -8.687 -1.149 1.00 0.00 C ATOM 486 CG GLN A 386 -11.513 -8.825 0.366 1.00 0.00 C ATOM 487 CD GLN A 386 -12.130 -10.128 0.837 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.665 -11.211 0.484 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.181 -10.027 1.641 1.00 0.00 N ATOM 0 H GLN A 386 -11.486 -8.055 -3.545 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.437 -6.543 -1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.551 -8.730 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.997 -9.537 -1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.487 -8.762 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.058 -7.990 0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.533 -9.107 1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.637 -10.869 1.992 1.00 0.00 H new ATOM 498 N ASN A 387 -8.591 -8.209 -1.598 1.00 0.00 N ATOM 499 CA ASN A 387 -7.199 -8.233 -1.205 1.00 0.00 C ATOM 500 C ASN A 387 -6.458 -7.007 -1.728 1.00 0.00 C ATOM 501 O ASN A 387 -5.516 -6.522 -1.099 1.00 0.00 O ATOM 502 CB ASN A 387 -6.551 -9.506 -1.736 1.00 0.00 C ATOM 503 CG ASN A 387 -7.172 -10.758 -1.151 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.180 -10.952 0.065 1.00 0.00 O ATOM 505 ND2 ASN A 387 -7.695 -11.619 -2.015 1.00 0.00 N ATOM 0 H ASN A 387 -8.853 -8.946 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.141 -8.216 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.643 -9.531 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.486 -9.491 -1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -8.125 -12.481 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -7.667 -11.419 -3.015 1.00 0.00 H new ATOM 512 N GLU A 388 -6.883 -6.516 -2.887 1.00 0.00 N ATOM 513 CA GLU A 388 -6.258 -5.353 -3.505 1.00 0.00 C ATOM 514 C GLU A 388 -6.697 -4.060 -2.834 1.00 0.00 C ATOM 515 O GLU A 388 -6.044 -3.027 -2.991 1.00 0.00 O ATOM 516 CB GLU A 388 -6.576 -5.310 -4.999 1.00 0.00 C ATOM 517 CG GLU A 388 -6.112 -6.544 -5.755 1.00 0.00 C ATOM 518 CD GLU A 388 -6.378 -6.453 -7.245 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.559 -6.324 -7.631 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.406 -6.510 -8.027 1.00 0.00 O ATOM 0 H GLU A 388 -7.661 -6.907 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.180 -5.446 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.652 -5.197 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.108 -4.428 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.044 -6.686 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.617 -7.422 -5.353 1.00 0.00 H new ATOM 527 N CYS A 389 -7.795 -4.113 -2.082 1.00 0.00 N ATOM 528 CA CYS A 389 -8.287 -2.929 -1.393 1.00 0.00 C ATOM 529 C CYS A 389 -7.189 -2.411 -0.474 1.00 0.00 C ATOM 530 O CYS A 389 -6.970 -2.940 0.617 1.00 0.00 O ATOM 531 CB CYS A 389 -9.557 -3.254 -0.600 1.00 0.00 C ATOM 532 SG CYS A 389 -10.475 -1.789 -0.021 1.00 0.00 S ATOM 0 H CYS A 389 -8.353 -4.954 -1.937 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.545 -2.159 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.216 -3.858 -1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.287 -3.863 0.262 1.00 0.00 H new ATOM 537 N LYS A 390 -6.471 -1.402 -0.950 1.00 0.00 N ATOM 538 CA LYS A 390 -5.350 -0.835 -0.205 1.00 0.00 C ATOM 539 C LYS A 390 -5.796 -0.063 1.031 1.00 0.00 C ATOM 540 O LYS A 390 -6.965 0.298 1.171 1.00 0.00 O ATOM 541 CB LYS A 390 -4.516 0.050 -1.122 1.00 0.00 C ATOM 542 CG LYS A 390 -3.823 -0.726 -2.235 1.00 0.00 C ATOM 543 CD LYS A 390 -2.708 -1.604 -1.688 1.00 0.00 C ATOM 544 CE LYS A 390 -2.030 -2.401 -2.791 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.977 -3.329 -3.468 1.00 0.00 N ATOM 0 H LYS A 390 -6.644 -0.957 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.741 -1.666 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.158 0.812 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.765 0.571 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.552 -1.345 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.414 -0.029 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.970 -0.982 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.115 -2.287 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.606 -1.716 -3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.202 -2.971 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.575 -4.288 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.881 -3.338 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.137 -3.010 -4.445 1.00 0.00 H new ATOM 559 N SER A 391 -4.845 0.163 1.937 1.00 0.00 N ATOM 560 CA SER A 391 -5.109 0.870 3.188 1.00 0.00 C ATOM 561 C SER A 391 -5.779 2.222 2.944 1.00 0.00 C ATOM 562 O SER A 391 -6.830 2.498 3.521 1.00 0.00 O ATOM 563 CB SER A 391 -3.814 1.057 3.985 1.00 0.00 C ATOM 564 OG SER A 391 -4.060 1.733 5.207 1.00 0.00 O ATOM 0 H SER A 391 -3.877 -0.137 1.825 1.00 0.00 H new ATOM 0 HA SER A 391 -5.798 0.257 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.364 0.085 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.096 1.623 3.391 1.00 0.00 H new ATOM 0 HG SER A 391 -3.218 1.839 5.698 1.00 0.00 H new ATOM 570 N PRO A 392 -5.200 3.089 2.082 1.00 0.00 N ATOM 571 CA PRO A 392 -5.781 4.393 1.780 1.00 0.00 C ATOM 572 C PRO A 392 -7.256 4.264 1.444 1.00 0.00 C ATOM 573 O PRO A 392 -8.065 5.131 1.775 1.00 0.00 O ATOM 574 CB PRO A 392 -4.990 4.867 0.549 1.00 0.00 C ATOM 575 CG PRO A 392 -4.203 3.689 0.094 1.00 0.00 C ATOM 576 CD PRO A 392 -3.958 2.886 1.324 1.00 0.00 C ATOM 0 HA PRO A 392 -5.720 5.085 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.661 5.216 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.335 5.701 0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.752 3.112 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.265 3.997 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.788 1.834 1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.084 3.238 1.873 1.00 0.00 H new ATOM 584 N CYS A 393 -7.589 3.163 0.784 1.00 0.00 N ATOM 585 CA CYS A 393 -8.959 2.885 0.389 1.00 0.00 C ATOM 586 C CYS A 393 -9.828 2.596 1.609 1.00 0.00 C ATOM 587 O CYS A 393 -9.472 2.943 2.735 1.00 0.00 O ATOM 588 CB CYS A 393 -8.986 1.683 -0.555 1.00 0.00 C ATOM 589 SG CYS A 393 -7.813 1.790 -1.945 1.00 0.00 S ATOM 0 H CYS A 393 -6.920 2.443 0.510 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.357 3.763 -0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.770 0.781 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.994 1.573 -0.954 1.00 0.00 H new ATOM 594 N LYS A 394 -10.960 1.941 1.370 1.00 0.00 N ATOM 595 CA LYS A 394 -11.892 1.575 2.432 1.00 0.00 C ATOM 596 C LYS A 394 -12.764 0.411 1.990 1.00 0.00 C ATOM 597 O LYS A 394 -13.506 0.511 1.012 1.00 0.00 O ATOM 598 CB LYS A 394 -12.779 2.765 2.820 1.00 0.00 C ATOM 599 CG LYS A 394 -12.071 3.823 3.654 1.00 0.00 C ATOM 600 CD LYS A 394 -11.573 3.260 4.978 1.00 0.00 C ATOM 601 CE LYS A 394 -12.717 2.739 5.833 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.231 2.143 7.110 1.00 0.00 N ATOM 0 H LYS A 394 -11.257 1.650 0.439 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.308 1.278 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.162 3.230 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.640 2.396 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.229 4.226 3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.753 4.652 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -10.865 2.454 4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -11.035 4.035 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.407 3.554 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.277 1.990 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.042 1.800 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -11.593 1.349 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.719 2.864 7.657 1.00 0.00 H new ATOM 616 N TRP A 395 -12.668 -0.695 2.716 1.00 0.00 N ATOM 617 CA TRP A 395 -13.444 -1.881 2.398 1.00 0.00 C ATOM 618 C TRP A 395 -14.868 -1.755 2.929 1.00 0.00 C ATOM 619 O TRP A 395 -15.075 -1.463 4.107 1.00 0.00 O ATOM 620 CB TRP A 395 -12.774 -3.125 2.986 1.00 0.00 C ATOM 621 CG TRP A 395 -13.421 -4.407 2.560 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.962 -5.360 3.374 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.581 -4.883 1.219 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.457 -6.397 2.621 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.234 -6.128 1.295 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.239 -4.376 -0.041 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.548 -6.874 0.162 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.554 -5.118 -1.163 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.202 -6.354 -1.057 1.00 0.00 C ATOM 0 H TRP A 395 -12.060 -0.793 3.529 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.488 -1.979 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.726 -3.139 2.688 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.795 -3.060 4.074 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.996 -5.307 4.452 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.916 -7.231 2.988 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.739 -3.423 -0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.047 -7.829 0.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.295 -4.737 -2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.434 -6.909 -1.954 1.00 0.00 H new ATOM 640 N HIS A 396 -15.846 -1.982 2.058 1.00 0.00 N ATOM 641 CA HIS A 396 -17.246 -1.898 2.454 1.00 0.00 C ATOM 642 C HIS A 396 -17.906 -3.269 2.401 1.00 0.00 C ATOM 643 O HIS A 396 -18.070 -3.852 1.328 1.00 0.00 O ATOM 644 CB HIS A 396 -17.998 -0.915 1.555 1.00 0.00 C ATOM 645 CG HIS A 396 -17.506 0.494 1.672 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.525 1.201 2.857 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.980 1.330 0.746 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.032 2.409 2.653 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.693 2.513 1.383 1.00 0.00 N ATOM 0 H HIS A 396 -15.696 -2.224 1.079 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.287 -1.536 3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.906 -1.239 0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.059 -0.944 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.817 1.108 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.925 3.181 3.400 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.284 3.338 0.945 1.00 0.00 H new ATOM 658 N ASN A 397 -18.283 -3.773 3.571 1.00 0.00 N ATOM 659 CA ASN A 397 -18.931 -5.074 3.680 1.00 0.00 C ATOM 660 C ASN A 397 -20.408 -4.977 3.315 1.00 0.00 C ATOM 661 O ASN A 397 -21.023 -3.923 3.472 1.00 0.00 O ATOM 662 CB ASN A 397 -18.765 -5.634 5.093 1.00 0.00 C ATOM 663 CG ASN A 397 -19.492 -6.950 5.288 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.218 -7.931 4.597 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.427 -6.976 6.231 1.00 0.00 N ATOM 0 H ASN A 397 -18.150 -3.296 4.463 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.452 -5.755 2.976 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.704 -5.775 5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.138 -4.907 5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.951 -7.833 6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.621 -6.139 6.780 1.00 0.00 H new ATOM 672 N ASP A 398 -20.959 -6.084 2.815 1.00 0.00 N ATOM 673 CA ASP A 398 -22.365 -6.151 2.408 1.00 0.00 C ATOM 674 C ASP A 398 -22.754 -4.944 1.559 1.00 0.00 C ATOM 675 O ASP A 398 -23.886 -4.463 1.623 1.00 0.00 O ATOM 676 CB ASP A 398 -23.290 -6.272 3.628 1.00 0.00 C ATOM 677 CG ASP A 398 -23.201 -5.088 4.573 1.00 0.00 C ATOM 678 OD1 ASP A 398 -23.545 -3.963 4.153 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.788 -5.286 5.735 1.00 0.00 O ATOM 0 H ASP A 398 -20.447 -6.956 2.681 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.486 -7.047 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -24.319 -6.377 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.042 -7.182 4.174 1.00 0.00 H new ATOM 684 N ALA A 399 -21.808 -4.469 0.753 1.00 0.00 N ATOM 685 CA ALA A 399 -22.043 -3.329 -0.125 1.00 0.00 C ATOM 686 C ALA A 399 -22.749 -3.770 -1.400 1.00 0.00 C ATOM 687 O ALA A 399 -22.365 -3.376 -2.502 1.00 0.00 O ATOM 688 CB ALA A 399 -20.727 -2.652 -0.462 1.00 0.00 C ATOM 0 H ALA A 399 -20.868 -4.859 0.691 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.685 -2.618 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.913 -1.802 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.251 -2.305 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.071 -3.362 -0.965 1.00 0.00 H new ATOM 694 N GLU A 400 -23.766 -4.612 -1.233 1.00 0.00 N ATOM 695 CA GLU A 400 -24.535 -5.154 -2.352 1.00 0.00 C ATOM 696 C GLU A 400 -23.731 -6.237 -3.062 1.00 0.00 C ATOM 697 O GLU A 400 -24.292 -7.162 -3.650 1.00 0.00 O ATOM 698 CB GLU A 400 -24.932 -4.053 -3.341 1.00 0.00 C ATOM 699 CG GLU A 400 -25.788 -2.956 -2.727 1.00 0.00 C ATOM 700 CD GLU A 400 -27.145 -3.453 -2.266 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.189 -4.328 -1.374 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.166 -2.966 -2.795 1.00 0.00 O ATOM 0 H GLU A 400 -24.081 -4.938 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.451 -5.591 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.028 -3.607 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.475 -4.503 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.259 -2.521 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.928 -2.159 -3.458 1.00 0.00 H new ATOM 709 N ASN A 401 -22.410 -6.110 -2.990 1.00 0.00 N ATOM 710 CA ASN A 401 -21.499 -7.060 -3.607 1.00 0.00 C ATOM 711 C ASN A 401 -20.062 -6.675 -3.283 1.00 0.00 C ATOM 712 O ASN A 401 -19.147 -6.908 -4.074 1.00 0.00 O ATOM 713 CB ASN A 401 -21.718 -7.082 -5.117 1.00 0.00 C ATOM 714 CG ASN A 401 -21.395 -5.751 -5.768 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.430 -5.032 -6.176 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.231 -5.365 -5.882 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.944 -5.345 -2.502 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.693 -8.058 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.097 -7.860 -5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.755 -7.344 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -19.464 -5.952 -5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.034 -4.458 -6.305 1.00 0.00 H new ATOM 723 N LYS A 402 -19.885 -6.077 -2.105 1.00 0.00 N ATOM 724 CA LYS A 402 -18.574 -5.631 -1.640 1.00 0.00 C ATOM 725 C LYS A 402 -18.042 -4.510 -2.526 1.00 0.00 C ATOM 726 O LYS A 402 -18.041 -4.624 -3.752 1.00 0.00 O ATOM 727 CB LYS A 402 -17.575 -6.796 -1.613 1.00 0.00 C ATOM 728 CG LYS A 402 -17.883 -7.859 -0.566 1.00 0.00 C ATOM 729 CD LYS A 402 -19.142 -8.642 -0.900 1.00 0.00 C ATOM 730 CE LYS A 402 -19.415 -9.722 0.134 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.286 -10.686 0.241 1.00 0.00 N ATOM 0 H LYS A 402 -20.644 -5.889 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.692 -5.252 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.555 -7.266 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.577 -6.399 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.040 -8.545 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.999 -7.385 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.992 -7.962 -0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.038 -9.097 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.590 -9.259 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -20.326 -10.258 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.601 -11.534 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.968 -10.955 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.499 -10.243 0.756 1.00 0.00 H new ATOM 745 N LYS A 403 -17.588 -3.422 -1.905 1.00 0.00 N ATOM 746 CA LYS A 403 -17.059 -2.292 -2.664 1.00 0.00 C ATOM 747 C LYS A 403 -15.920 -1.598 -1.924 1.00 0.00 C ATOM 748 O LYS A 403 -16.046 -1.246 -0.753 1.00 0.00 O ATOM 749 CB LYS A 403 -18.160 -1.268 -2.962 1.00 0.00 C ATOM 750 CG LYS A 403 -19.340 -1.826 -3.743 1.00 0.00 C ATOM 751 CD LYS A 403 -20.187 -0.714 -4.350 1.00 0.00 C ATOM 752 CE LYS A 403 -20.733 0.231 -3.290 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.655 -0.460 -2.349 1.00 0.00 N ATOM 0 H LYS A 403 -17.576 -3.300 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.673 -2.696 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.524 -0.859 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.727 -0.440 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.976 -2.481 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.958 -2.436 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.587 -0.150 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.016 -1.152 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.905 0.667 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.259 1.054 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.613 -0.070 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.671 -1.478 -2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.326 -0.316 -1.373 1.00 0.00 H new ATOM 767 N CYS A 404 -14.815 -1.382 -2.633 1.00 0.00 N ATOM 768 CA CYS A 404 -13.653 -0.703 -2.068 1.00 0.00 C ATOM 769 C CYS A 404 -13.570 0.717 -2.627 1.00 0.00 C ATOM 770 O CYS A 404 -13.681 0.918 -3.837 1.00 0.00 O ATOM 771 CB CYS A 404 -12.373 -1.484 -2.388 1.00 0.00 C ATOM 772 SG CYS A 404 -10.848 -0.739 -1.724 1.00 0.00 S ATOM 0 H CYS A 404 -14.700 -1.669 -3.605 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.758 -0.652 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.471 -2.495 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.278 -1.573 -3.470 1.00 0.00 H new ATOM 777 N THR A 405 -13.394 1.702 -1.748 1.00 0.00 N ATOM 778 CA THR A 405 -13.324 3.097 -2.178 1.00 0.00 C ATOM 779 C THR A 405 -12.268 3.879 -1.402 1.00 0.00 C ATOM 780 O THR A 405 -12.108 3.698 -0.195 1.00 0.00 O ATOM 781 CB THR A 405 -14.681 3.805 -2.009 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.076 3.783 -0.632 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.753 3.139 -2.859 1.00 0.00 C ATOM 0 H THR A 405 -13.298 1.562 -0.742 1.00 0.00 H new ATOM 0 HA THR A 405 -13.050 3.077 -3.233 1.00 0.00 H new ATOM 0 HB THR A 405 -14.569 4.837 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.694 4.523 -0.457 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.701 3.658 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.464 3.183 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.862 2.098 -2.556 1.00 0.00 H new ATOM 791 N LEU A 406 -11.555 4.751 -2.110 1.00 0.00 N ATOM 792 CA LEU A 406 -10.517 5.572 -1.503 1.00 0.00 C ATOM 793 C LEU A 406 -11.120 6.584 -0.542 1.00 0.00 C ATOM 794 O LEU A 406 -12.187 7.143 -0.795 1.00 0.00 O ATOM 795 CB LEU A 406 -9.705 6.277 -2.588 1.00 0.00 C ATOM 796 CG LEU A 406 -8.427 6.984 -2.125 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.745 8.319 -1.475 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.638 6.096 -1.176 1.00 0.00 C ATOM 0 H LEU A 406 -11.680 4.906 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.852 4.924 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.434 5.542 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.347 7.013 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.812 7.179 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.819 8.798 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.257 8.960 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.387 8.158 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.734 6.616 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.248 5.863 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.365 5.172 -1.685 1.00 0.00 H new ATOM 810 N ASP A 407 -10.423 6.811 0.561 1.00 0.00 N ATOM 811 CA ASP A 407 -10.874 7.755 1.575 1.00 0.00 C ATOM 812 C ASP A 407 -9.876 8.898 1.730 1.00 0.00 C ATOM 813 O ASP A 407 -8.668 8.673 1.801 1.00 0.00 O ATOM 814 CB ASP A 407 -11.072 7.041 2.912 1.00 0.00 C ATOM 815 CG ASP A 407 -11.590 7.967 3.996 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.682 8.544 3.811 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.906 8.112 5.030 1.00 0.00 O ATOM 0 H ASP A 407 -9.538 6.352 0.778 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.828 8.173 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.772 6.216 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.125 6.607 3.232 1.00 0.00 H new ATOM 822 N LYS A 408 -10.389 10.123 1.777 1.00 0.00 N ATOM 823 CA LYS A 408 -9.542 11.303 1.919 1.00 0.00 C ATOM 824 C LYS A 408 -8.803 11.295 3.254 1.00 0.00 C ATOM 825 O LYS A 408 -7.615 11.609 3.316 1.00 0.00 O ATOM 826 CB LYS A 408 -10.386 12.575 1.798 1.00 0.00 C ATOM 827 CG LYS A 408 -11.121 12.697 0.471 1.00 0.00 C ATOM 828 CD LYS A 408 -10.153 12.777 -0.700 1.00 0.00 C ATOM 829 CE LYS A 408 -10.887 12.906 -2.024 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.785 11.745 -2.277 1.00 0.00 N ATOM 0 H LYS A 408 -11.387 10.325 1.719 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.801 11.284 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.113 12.596 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.739 13.443 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.781 11.840 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.752 13.586 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.489 13.631 -0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.526 11.886 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.473 13.825 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.162 12.988 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.095 11.756 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.272 10.861 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.616 11.806 -1.654 1.00 0.00 H new ATOM 844 N GLU A 409 -9.514 10.939 4.318 1.00 0.00 N ATOM 845 CA GLU A 409 -8.934 10.894 5.653 1.00 0.00 C ATOM 846 C GLU A 409 -7.788 9.887 5.726 1.00 0.00 C ATOM 847 O GLU A 409 -6.730 10.175 6.284 1.00 0.00 O ATOM 848 CB GLU A 409 -10.013 10.538 6.676 1.00 0.00 C ATOM 849 CG GLU A 409 -9.491 10.382 8.092 1.00 0.00 C ATOM 850 CD GLU A 409 -8.921 11.669 8.658 1.00 0.00 C ATOM 851 OE1 GLU A 409 -7.926 12.177 8.099 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.469 12.169 9.663 1.00 0.00 O ATOM 0 H GLU A 409 -10.499 10.676 4.280 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.529 11.880 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.780 11.313 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.495 9.609 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.300 10.035 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.720 9.612 8.106 1.00 0.00 H new ATOM 859 N GLU A 410 -8.007 8.704 5.168 1.00 0.00 N ATOM 860 CA GLU A 410 -6.992 7.657 5.181 1.00 0.00 C ATOM 861 C GLU A 410 -5.781 8.043 4.335 1.00 0.00 C ATOM 862 O GLU A 410 -4.639 7.867 4.757 1.00 0.00 O ATOM 863 CB GLU A 410 -7.583 6.340 4.672 1.00 0.00 C ATOM 864 CG GLU A 410 -8.764 5.844 5.493 1.00 0.00 C ATOM 865 CD GLU A 410 -8.399 5.587 6.942 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.514 4.742 7.190 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.000 6.230 7.828 1.00 0.00 O ATOM 0 H GLU A 410 -8.876 8.445 4.701 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.660 7.530 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.900 6.470 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.804 5.577 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.567 6.580 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.149 4.925 5.051 1.00 0.00 H new ATOM 874 N ALA A 411 -6.038 8.556 3.136 1.00 0.00 N ATOM 875 CA ALA A 411 -4.968 8.952 2.224 1.00 0.00 C ATOM 876 C ALA A 411 -4.067 10.027 2.824 1.00 0.00 C ATOM 877 O ALA A 411 -2.842 9.913 2.778 1.00 0.00 O ATOM 878 CB ALA A 411 -5.555 9.434 0.907 1.00 0.00 C ATOM 0 H ALA A 411 -6.979 8.708 2.772 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.349 8.072 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.749 9.727 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.134 8.631 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.204 10.291 1.090 1.00 0.00 H new ATOM 884 N LYS A 412 -4.672 11.074 3.377 1.00 0.00 N ATOM 885 CA LYS A 412 -3.908 12.166 3.970 1.00 0.00 C ATOM 886 C LYS A 412 -3.043 11.674 5.129 1.00 0.00 C ATOM 887 O LYS A 412 -1.912 12.123 5.299 1.00 0.00 O ATOM 888 CB LYS A 412 -4.841 13.284 4.445 1.00 0.00 C ATOM 889 CG LYS A 412 -5.831 12.852 5.515 1.00 0.00 C ATOM 890 CD LYS A 412 -6.709 14.007 5.980 1.00 0.00 C ATOM 891 CE LYS A 412 -5.931 15.015 6.818 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.894 15.732 6.024 1.00 0.00 N ATOM 0 H LYS A 412 -5.684 11.189 3.427 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.248 12.563 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.239 14.105 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.393 13.670 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.461 12.052 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.288 12.443 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.136 14.510 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.542 13.616 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.624 15.740 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.455 14.500 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.802 16.707 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.982 15.242 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.173 15.748 5.022 1.00 0.00 H new