USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 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= 0.229 K(o=0.23,f=-4.4!) USER MOD Set 1.2: A 405 THR OG1 : rot 124:sc=0.000969 USER MOD Set 2.1: A 380 SER OG : rot -104:sc= 1.24 USER MOD Set 2.2: A 384 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.61!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0.00155 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.63 F(o=-4.7!,f=-1.6) USER MOD Single : A 383 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 155:sc= 0.789 (180deg=0.49) USER MOD Single : A 397 ASN : amide:sc= -0.572 K(o=-0.57,f=-2!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.662 F(o=-4.6!,f=-0.66) USER MOD Single : A 402 LYS NZ :NH3+ -168:sc= -0.045 (180deg=-0.248) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= -3.19! (180deg=-3.19!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -2.959 5.065 -3.652 1.00 0.00 N ATOM 340 CA GLU A 376 -3.603 5.081 -4.956 1.00 0.00 C ATOM 341 C GLU A 376 -4.548 6.272 -5.062 1.00 0.00 C ATOM 342 O GLU A 376 -4.301 7.325 -4.474 1.00 0.00 O ATOM 343 CB GLU A 376 -4.356 3.763 -5.175 1.00 0.00 C ATOM 344 CG GLU A 376 -3.466 2.534 -5.079 1.00 0.00 C ATOM 345 CD GLU A 376 -4.154 1.280 -5.583 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.522 1.245 -6.775 1.00 0.00 O ATOM 347 OE2 GLU A 376 -4.321 0.333 -4.789 1.00 0.00 O ATOM 0 HA GLU A 376 -2.845 5.182 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.154 3.683 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.830 3.783 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.556 2.702 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.164 2.388 -4.042 1.00 0.00 H new ATOM 354 N THR A 377 -5.627 6.101 -5.809 1.00 0.00 N ATOM 355 CA THR A 377 -6.608 7.155 -5.992 1.00 0.00 C ATOM 356 C THR A 377 -8.008 6.570 -5.958 1.00 0.00 C ATOM 357 O THR A 377 -8.199 5.399 -6.277 1.00 0.00 O ATOM 358 CB THR A 377 -6.391 7.899 -7.317 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.575 7.005 -8.421 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.992 8.490 -7.363 1.00 0.00 C ATOM 0 H THR A 377 -5.845 5.235 -6.301 1.00 0.00 H new ATOM 0 HA THR A 377 -6.488 7.869 -5.178 1.00 0.00 H new ATOM 0 HB THR A 377 -7.121 8.706 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.436 7.490 -9.261 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.850 9.015 -8.307 1.00 0.00 H new ATOM 0 HG22 THR A 377 -4.865 9.189 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.256 7.690 -7.278 1.00 0.00 H new ATOM 368 N GLU A 378 -8.976 7.379 -5.551 1.00 0.00 N ATOM 369 CA GLU A 378 -10.354 6.924 -5.455 1.00 0.00 C ATOM 370 C GLU A 378 -10.743 6.103 -6.677 1.00 0.00 C ATOM 371 O GLU A 378 -11.379 5.060 -6.559 1.00 0.00 O ATOM 372 CB GLU A 378 -11.300 8.115 -5.305 1.00 0.00 C ATOM 373 CG GLU A 378 -12.749 7.711 -5.091 1.00 0.00 C ATOM 374 CD GLU A 378 -13.674 8.904 -4.933 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.183 10.051 -4.986 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.892 8.689 -4.753 1.00 0.00 O ATOM 0 H GLU A 378 -8.832 8.352 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.438 6.290 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -10.973 8.726 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.232 8.738 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.082 7.108 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -12.819 7.082 -4.203 1.00 0.00 H new ATOM 383 N GLY A 379 -10.352 6.581 -7.849 1.00 0.00 N ATOM 384 CA GLY A 379 -10.672 5.880 -9.076 1.00 0.00 C ATOM 385 C GLY A 379 -9.973 4.544 -9.211 1.00 0.00 C ATOM 386 O GLY A 379 -10.569 3.577 -9.686 1.00 0.00 O ATOM 0 H GLY A 379 -9.819 7.442 -7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.750 5.723 -9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.403 6.509 -9.925 1.00 0.00 H new ATOM 390 N SER A 380 -8.710 4.485 -8.813 1.00 0.00 N ATOM 391 CA SER A 380 -7.945 3.251 -8.918 1.00 0.00 C ATOM 392 C SER A 380 -8.411 2.204 -7.910 1.00 0.00 C ATOM 393 O SER A 380 -8.624 1.041 -8.261 1.00 0.00 O ATOM 394 CB SER A 380 -6.463 3.535 -8.722 1.00 0.00 C ATOM 395 OG SER A 380 -5.691 2.358 -8.883 1.00 0.00 O ATOM 0 H SER A 380 -8.196 5.272 -8.417 1.00 0.00 H new ATOM 0 HA SER A 380 -8.111 2.847 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.136 4.288 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.298 3.949 -7.727 1.00 0.00 H new ATOM 0 HG SER A 380 -5.412 2.027 -8.004 1.00 0.00 H new ATOM 401 N CYS A 381 -8.551 2.611 -6.653 1.00 0.00 N ATOM 402 CA CYS A 381 -8.961 1.687 -5.608 1.00 0.00 C ATOM 403 C CYS A 381 -10.330 1.080 -5.883 1.00 0.00 C ATOM 404 O CYS A 381 -10.565 -0.084 -5.563 1.00 0.00 O ATOM 405 CB CYS A 381 -8.953 2.349 -4.239 1.00 0.00 C ATOM 406 SG CYS A 381 -9.069 1.131 -2.898 1.00 0.00 S ATOM 0 H CYS A 381 -8.388 3.567 -6.337 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.227 0.881 -5.609 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -8.039 2.931 -4.123 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -9.787 3.047 -4.168 1.00 0.00 H new ATOM 411 N ASN A 382 -11.234 1.854 -6.482 1.00 0.00 N ATOM 412 CA ASN A 382 -12.563 1.336 -6.796 1.00 0.00 C ATOM 413 C ASN A 382 -12.419 0.035 -7.568 1.00 0.00 C ATOM 414 O ASN A 382 -13.270 -0.852 -7.498 1.00 0.00 O ATOM 415 CB ASN A 382 -13.368 2.337 -7.627 1.00 0.00 C ATOM 416 CG ASN A 382 -13.717 3.597 -6.861 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.299 3.667 -5.603 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.360 4.500 -7.396 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.075 2.824 -6.755 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.098 1.165 -5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.797 2.605 -8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.286 1.861 -7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.662 4.406 -8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.591 5.343 -6.870 1.00 0.00 H new ATOM 425 N LYS A 383 -11.314 -0.061 -8.295 1.00 0.00 N ATOM 426 CA LYS A 383 -11.004 -1.235 -9.087 1.00 0.00 C ATOM 427 C LYS A 383 -10.347 -2.305 -8.219 1.00 0.00 C ATOM 428 O LYS A 383 -10.516 -3.500 -8.459 1.00 0.00 O ATOM 429 CB LYS A 383 -10.083 -0.843 -10.241 1.00 0.00 C ATOM 430 CG LYS A 383 -10.543 0.409 -10.977 1.00 0.00 C ATOM 431 CD LYS A 383 -11.924 0.231 -11.592 1.00 0.00 C ATOM 432 CE LYS A 383 -11.934 -0.875 -12.637 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.284 -1.062 -13.237 1.00 0.00 N ATOM 0 H LYS A 383 -10.610 0.675 -8.350 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.928 -1.647 -9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.077 -0.681 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.024 -1.671 -10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.560 1.251 -10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.826 0.654 -11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.645 -0.002 -10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.242 1.168 -12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.217 -0.638 -13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.608 -1.809 -12.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.247 -1.824 -13.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.964 -1.314 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.585 -0.179 -13.696 1.00 0.00 H new ATOM 447 N LYS A 384 -9.593 -1.864 -7.209 1.00 0.00 N ATOM 448 CA LYS A 384 -8.910 -2.780 -6.309 1.00 0.00 C ATOM 449 C LYS A 384 -9.882 -3.758 -5.655 1.00 0.00 C ATOM 450 O LYS A 384 -10.876 -3.351 -5.051 1.00 0.00 O ATOM 451 CB LYS A 384 -8.171 -1.982 -5.233 1.00 0.00 C ATOM 452 CG LYS A 384 -6.803 -1.456 -5.659 1.00 0.00 C ATOM 453 CD LYS A 384 -6.821 -0.817 -7.039 1.00 0.00 C ATOM 454 CE LYS A 384 -6.437 -1.811 -8.126 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.436 -1.185 -9.477 1.00 0.00 N ATOM 0 H LYS A 384 -9.444 -0.877 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.199 -3.363 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.793 -1.138 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.045 -2.613 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.457 -0.724 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.085 -2.276 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.816 -0.421 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.132 0.027 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.448 -2.217 -7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.135 -2.649 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.869 -1.837 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.980 -0.299 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.458 -0.981 -9.764 1.00 0.00 H new ATOM 469 N ASP A 385 -9.577 -5.048 -5.765 1.00 0.00 N ATOM 470 CA ASP A 385 -10.410 -6.087 -5.171 1.00 0.00 C ATOM 471 C ASP A 385 -10.311 -6.029 -3.650 1.00 0.00 C ATOM 472 O ASP A 385 -9.607 -5.182 -3.108 1.00 0.00 O ATOM 473 CB ASP A 385 -9.984 -7.466 -5.677 1.00 0.00 C ATOM 474 CG ASP A 385 -10.119 -7.596 -7.182 1.00 0.00 C ATOM 475 OD1 ASP A 385 -9.463 -6.817 -7.905 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.878 -8.477 -7.635 1.00 0.00 O ATOM 0 H ASP A 385 -8.757 -5.398 -6.261 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.446 -5.916 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.949 -7.651 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.591 -8.231 -5.193 1.00 0.00 H new ATOM 481 N GLN A 386 -11.015 -6.930 -2.967 1.00 0.00 N ATOM 482 CA GLN A 386 -10.997 -6.963 -1.506 1.00 0.00 C ATOM 483 C GLN A 386 -9.568 -6.900 -0.973 1.00 0.00 C ATOM 484 O GLN A 386 -9.246 -6.057 -0.136 1.00 0.00 O ATOM 485 CB GLN A 386 -11.689 -8.229 -0.997 1.00 0.00 C ATOM 486 CG GLN A 386 -11.747 -8.324 0.519 1.00 0.00 C ATOM 487 CD GLN A 386 -12.398 -9.607 1.000 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.910 -10.704 0.726 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.507 -9.475 1.719 1.00 0.00 N ATOM 0 H GLN A 386 -11.602 -7.643 -3.399 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.537 -6.089 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.704 -8.263 -1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.165 -9.101 -1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.736 -8.261 0.922 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.300 -7.471 0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.876 -8.546 1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.990 -10.303 2.068 1.00 0.00 H new ATOM 498 N ASN A 387 -8.713 -7.787 -1.468 1.00 0.00 N ATOM 499 CA ASN A 387 -7.321 -7.823 -1.049 1.00 0.00 C ATOM 500 C ASN A 387 -6.583 -6.579 -1.533 1.00 0.00 C ATOM 501 O ASN A 387 -5.696 -6.065 -0.850 1.00 0.00 O ATOM 502 CB ASN A 387 -6.644 -9.080 -1.589 1.00 0.00 C ATOM 503 CG ASN A 387 -5.166 -9.118 -1.275 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.764 -9.115 -0.111 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.349 -9.151 -2.316 1.00 0.00 N ATOM 0 H ASN A 387 -8.962 -8.492 -2.162 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.287 -7.842 0.040 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.126 -9.960 -1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.785 -9.130 -2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.340 -9.175 -2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.729 -9.152 -3.263 1.00 0.00 H new ATOM 512 N GLU A 388 -6.958 -6.103 -2.716 1.00 0.00 N ATOM 513 CA GLU A 388 -6.337 -4.922 -3.301 1.00 0.00 C ATOM 514 C GLU A 388 -6.809 -3.654 -2.599 1.00 0.00 C ATOM 515 O GLU A 388 -6.194 -2.596 -2.737 1.00 0.00 O ATOM 516 CB GLU A 388 -6.640 -4.850 -4.798 1.00 0.00 C ATOM 517 CG GLU A 388 -6.133 -6.055 -5.578 1.00 0.00 C ATOM 518 CD GLU A 388 -6.432 -5.963 -7.062 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.013 -4.945 -7.492 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.083 -6.913 -7.797 1.00 0.00 O ATOM 0 H GLU A 388 -7.692 -6.519 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.258 -5.001 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.717 -4.763 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.191 -3.946 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.057 -6.148 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.588 -6.960 -5.176 1.00 0.00 H new ATOM 527 N CYS A 389 -7.896 -3.767 -1.837 1.00 0.00 N ATOM 528 CA CYS A 389 -8.431 -2.629 -1.104 1.00 0.00 C ATOM 529 C CYS A 389 -7.341 -2.094 -0.180 1.00 0.00 C ATOM 530 O CYS A 389 -7.071 -2.662 0.879 1.00 0.00 O ATOM 531 CB CYS A 389 -9.676 -3.059 -0.319 1.00 0.00 C ATOM 532 SG CYS A 389 -10.854 -1.713 0.030 1.00 0.00 S ATOM 0 H CYS A 389 -8.419 -4.634 -1.714 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.732 -1.836 -1.788 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.191 -3.839 -0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.359 -3.501 0.626 1.00 0.00 H new ATOM 537 N LYS A 390 -6.676 -1.032 -0.628 1.00 0.00 N ATOM 538 CA LYS A 390 -5.557 -0.443 0.110 1.00 0.00 C ATOM 539 C LYS A 390 -5.975 0.258 1.402 1.00 0.00 C ATOM 540 O LYS A 390 -7.149 0.544 1.627 1.00 0.00 O ATOM 541 CB LYS A 390 -4.795 0.521 -0.793 1.00 0.00 C ATOM 542 CG LYS A 390 -4.053 -0.165 -1.937 1.00 0.00 C ATOM 543 CD LYS A 390 -2.723 -0.766 -1.491 1.00 0.00 C ATOM 544 CE LYS A 390 -2.909 -2.040 -0.678 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.606 -2.633 -0.269 1.00 0.00 N ATOM 0 H LYS A 390 -6.893 -0.558 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.912 -1.269 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.495 1.245 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -4.079 1.080 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.682 -0.951 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.873 0.556 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.113 -0.983 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.177 -0.034 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.503 -1.821 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.470 -2.767 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.776 -3.498 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.049 -2.866 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.081 -1.949 0.313 1.00 0.00 H new ATOM 559 N SER A 391 -4.979 0.513 2.254 1.00 0.00 N ATOM 560 CA SER A 391 -5.190 1.161 3.540 1.00 0.00 C ATOM 561 C SER A 391 -5.788 2.559 3.384 1.00 0.00 C ATOM 562 O SER A 391 -6.810 2.864 4.000 1.00 0.00 O ATOM 563 CB SER A 391 -3.869 1.232 4.303 1.00 0.00 C ATOM 564 OG SER A 391 -3.339 -0.061 4.533 1.00 0.00 O ATOM 0 H SER A 391 -4.005 0.274 2.067 1.00 0.00 H new ATOM 0 HA SER A 391 -5.907 0.563 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.151 1.827 3.738 1.00 0.00 H new ATOM 0 HB3 SER A 391 -4.023 1.739 5.255 1.00 0.00 H new ATOM 0 HG SER A 391 -2.493 0.014 5.021 1.00 0.00 H new ATOM 570 N PRO A 392 -5.183 3.434 2.549 1.00 0.00 N ATOM 571 CA PRO A 392 -5.700 4.783 2.324 1.00 0.00 C ATOM 572 C PRO A 392 -7.139 4.732 1.846 1.00 0.00 C ATOM 573 O PRO A 392 -7.882 5.710 1.924 1.00 0.00 O ATOM 574 CB PRO A 392 -4.794 5.337 1.216 1.00 0.00 C ATOM 575 CG PRO A 392 -4.148 4.147 0.612 1.00 0.00 C ATOM 576 CD PRO A 392 -3.978 3.190 1.740 1.00 0.00 C ATOM 0 HA PRO A 392 -5.695 5.392 3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.371 5.891 0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.052 6.025 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.766 3.721 -0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.188 4.403 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.925 2.158 1.392 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.065 3.384 2.303 1.00 0.00 H new ATOM 584 N CYS A 393 -7.507 3.568 1.334 1.00 0.00 N ATOM 585 CA CYS A 393 -8.837 3.333 0.813 1.00 0.00 C ATOM 586 C CYS A 393 -9.839 3.112 1.940 1.00 0.00 C ATOM 587 O CYS A 393 -9.679 3.631 3.045 1.00 0.00 O ATOM 588 CB CYS A 393 -8.791 2.112 -0.097 1.00 0.00 C ATOM 589 SG CYS A 393 -10.032 2.095 -1.415 1.00 0.00 S ATOM 0 H CYS A 393 -6.888 2.760 1.270 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.163 4.209 0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -7.801 2.051 -0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -8.918 1.218 0.513 1.00 0.00 H new ATOM 594 N LYS A 394 -10.865 2.327 1.645 1.00 0.00 N ATOM 595 CA LYS A 394 -11.904 2.010 2.619 1.00 0.00 C ATOM 596 C LYS A 394 -12.752 0.845 2.127 1.00 0.00 C ATOM 597 O LYS A 394 -13.423 0.940 1.100 1.00 0.00 O ATOM 598 CB LYS A 394 -12.785 3.236 2.877 1.00 0.00 C ATOM 599 CG LYS A 394 -13.803 3.038 3.991 1.00 0.00 C ATOM 600 CD LYS A 394 -13.126 2.791 5.333 1.00 0.00 C ATOM 601 CE LYS A 394 -12.321 3.998 5.788 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.640 3.753 7.089 1.00 0.00 N ATOM 0 H LYS A 394 -11.002 1.894 0.732 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.426 1.722 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.147 4.084 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.312 3.493 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.441 3.919 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.449 2.194 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.881 2.553 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.470 1.924 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.578 4.245 5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.981 4.861 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -10.806 4.369 7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.296 3.960 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.341 2.758 7.143 1.00 0.00 H new ATOM 616 N TRP A 395 -12.701 -0.260 2.863 1.00 0.00 N ATOM 617 CA TRP A 395 -13.447 -1.458 2.500 1.00 0.00 C ATOM 618 C TRP A 395 -14.892 -1.388 2.984 1.00 0.00 C ATOM 619 O TRP A 395 -15.156 -1.041 4.136 1.00 0.00 O ATOM 620 CB TRP A 395 -12.760 -2.697 3.079 1.00 0.00 C ATOM 621 CG TRP A 395 -13.405 -3.990 2.679 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.816 -4.990 3.511 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.700 -4.428 1.347 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.353 -6.023 2.780 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.292 -5.702 1.449 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.523 -3.868 0.078 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.707 -6.422 0.331 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.934 -4.584 -1.029 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.520 -5.849 -0.897 1.00 0.00 C ATOM 0 H TRP A 395 -12.149 -0.350 3.716 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.463 -1.525 1.412 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.718 -2.707 2.758 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.757 -2.624 4.167 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.732 -4.973 4.588 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.734 -6.887 3.165 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.073 -2.893 -0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.160 -7.397 0.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.801 -4.161 -2.014 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.831 -6.383 -1.783 1.00 0.00 H new ATOM 640 N HIS A 396 -15.823 -1.737 2.100 1.00 0.00 N ATOM 641 CA HIS A 396 -17.241 -1.730 2.440 1.00 0.00 C ATOM 642 C HIS A 396 -17.806 -3.147 2.412 1.00 0.00 C ATOM 643 O HIS A 396 -17.896 -3.773 1.353 1.00 0.00 O ATOM 644 CB HIS A 396 -18.023 -0.836 1.477 1.00 0.00 C ATOM 645 CG HIS A 396 -17.681 0.616 1.596 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.845 1.335 2.761 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.186 1.489 0.686 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.468 2.585 2.563 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.063 2.705 1.312 1.00 0.00 N ATOM 0 H HIS A 396 -15.620 -2.028 1.144 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.345 -1.331 3.449 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.832 -1.163 0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.090 -0.966 1.659 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.935 1.269 -0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.488 3.375 3.299 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.715 3.562 0.881 1.00 0.00 H new ATOM 658 N ASN A 397 -18.184 -3.641 3.589 1.00 0.00 N ATOM 659 CA ASN A 397 -18.741 -4.982 3.722 1.00 0.00 C ATOM 660 C ASN A 397 -20.240 -4.988 3.436 1.00 0.00 C ATOM 661 O ASN A 397 -20.949 -4.037 3.766 1.00 0.00 O ATOM 662 CB ASN A 397 -18.472 -5.528 5.127 1.00 0.00 C ATOM 663 CG ASN A 397 -19.047 -4.643 6.217 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.256 -4.431 6.290 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.175 -4.118 7.071 1.00 0.00 N ATOM 0 H ASN A 397 -18.113 -3.128 4.468 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.253 -5.624 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.899 -6.527 5.212 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.397 -5.627 5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.500 -3.512 7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.180 -4.321 6.973 1.00 0.00 H new ATOM 672 N ASP A 398 -20.712 -6.068 2.819 1.00 0.00 N ATOM 673 CA ASP A 398 -22.126 -6.210 2.485 1.00 0.00 C ATOM 674 C ASP A 398 -22.600 -5.060 1.601 1.00 0.00 C ATOM 675 O ASP A 398 -23.748 -4.623 1.693 1.00 0.00 O ATOM 676 CB ASP A 398 -22.969 -6.272 3.761 1.00 0.00 C ATOM 677 CG ASP A 398 -22.576 -7.431 4.657 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.654 -8.589 4.198 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.190 -7.179 5.818 1.00 0.00 O ATOM 0 H ASP A 398 -20.133 -6.860 2.539 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.249 -7.140 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.860 -5.337 4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.022 -6.363 3.494 1.00 0.00 H new ATOM 684 N ALA A 399 -21.708 -4.581 0.742 1.00 0.00 N ATOM 685 CA ALA A 399 -22.029 -3.489 -0.171 1.00 0.00 C ATOM 686 C ALA A 399 -22.722 -4.017 -1.419 1.00 0.00 C ATOM 687 O ALA A 399 -22.318 -3.707 -2.542 1.00 0.00 O ATOM 688 CB ALA A 399 -20.771 -2.735 -0.547 1.00 0.00 C ATOM 0 H ALA A 399 -20.754 -4.932 0.658 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.710 -2.805 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.024 -1.923 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.310 -2.325 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.072 -3.414 -1.035 1.00 0.00 H new ATOM 694 N GLU A 400 -23.750 -4.831 -1.203 1.00 0.00 N ATOM 695 CA GLU A 400 -24.516 -5.447 -2.280 1.00 0.00 C ATOM 696 C GLU A 400 -23.744 -6.618 -2.874 1.00 0.00 C ATOM 697 O GLU A 400 -24.334 -7.615 -3.294 1.00 0.00 O ATOM 698 CB GLU A 400 -24.857 -4.429 -3.370 1.00 0.00 C ATOM 699 CG GLU A 400 -25.723 -5.004 -4.474 1.00 0.00 C ATOM 700 CD GLU A 400 -26.047 -3.990 -5.557 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.581 -2.836 -5.448 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.765 -4.351 -6.512 1.00 0.00 O ATOM 0 H GLU A 400 -24.077 -5.083 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.452 -5.816 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.371 -3.581 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.933 -4.047 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.213 -5.857 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.652 -5.378 -4.043 1.00 0.00 H new ATOM 709 N ASN A 401 -22.422 -6.488 -2.897 1.00 0.00 N ATOM 710 CA ASN A 401 -21.554 -7.524 -3.430 1.00 0.00 C ATOM 711 C ASN A 401 -20.089 -7.143 -3.241 1.00 0.00 C ATOM 712 O ASN A 401 -19.273 -7.299 -4.150 1.00 0.00 O ATOM 713 CB ASN A 401 -21.861 -7.756 -4.911 1.00 0.00 C ATOM 714 CG ASN A 401 -21.630 -6.525 -5.778 1.00 0.00 C ATOM 715 OD1 ASN A 401 -21.303 -5.394 -5.156 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.756 -6.589 -7.000 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.928 -5.667 -2.549 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.739 -8.450 -2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.240 -8.572 -5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.899 -8.074 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.008 -7.474 -7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.609 -5.757 -7.572 1.00 0.00 H new ATOM 723 N LYS A 402 -19.773 -6.636 -2.049 1.00 0.00 N ATOM 724 CA LYS A 402 -18.414 -6.216 -1.717 1.00 0.00 C ATOM 725 C LYS A 402 -17.976 -5.048 -2.595 1.00 0.00 C ATOM 726 O LYS A 402 -17.971 -5.149 -3.821 1.00 0.00 O ATOM 727 CB LYS A 402 -17.432 -7.384 -1.865 1.00 0.00 C ATOM 728 CG LYS A 402 -17.583 -8.462 -0.799 1.00 0.00 C ATOM 729 CD LYS A 402 -18.919 -9.184 -0.903 1.00 0.00 C ATOM 730 CE LYS A 402 -19.059 -10.250 0.171 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.993 -11.284 0.071 1.00 0.00 N ATOM 0 H LYS A 402 -20.446 -6.506 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.411 -5.888 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.568 -7.837 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.414 -6.995 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.772 -9.184 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.491 -8.010 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.732 -8.464 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.010 -9.643 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.019 -9.782 1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -20.036 -10.726 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.235 -12.092 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.912 -11.605 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.086 -10.878 0.378 1.00 0.00 H new ATOM 745 N LYS A 403 -17.613 -3.934 -1.961 1.00 0.00 N ATOM 746 CA LYS A 403 -17.184 -2.747 -2.696 1.00 0.00 C ATOM 747 C LYS A 403 -16.061 -2.014 -1.968 1.00 0.00 C ATOM 748 O LYS A 403 -16.115 -1.821 -0.755 1.00 0.00 O ATOM 749 CB LYS A 403 -18.368 -1.800 -2.893 1.00 0.00 C ATOM 750 CG LYS A 403 -19.504 -2.405 -3.699 1.00 0.00 C ATOM 751 CD LYS A 403 -19.118 -2.604 -5.158 1.00 0.00 C ATOM 752 CE LYS A 403 -18.826 -1.279 -5.846 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.448 -1.463 -7.274 1.00 0.00 N ATOM 0 H LYS A 403 -17.607 -3.829 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.806 -3.074 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.747 -1.498 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.020 -0.896 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.788 -3.363 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.378 -1.756 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.240 -3.247 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.925 -3.116 -5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.705 -0.637 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.019 -0.768 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.258 -0.536 -7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -17.595 -2.054 -7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.227 -1.927 -7.782 1.00 0.00 H new ATOM 767 N CYS A 404 -15.049 -1.600 -2.726 1.00 0.00 N ATOM 768 CA CYS A 404 -13.913 -0.876 -2.164 1.00 0.00 C ATOM 769 C CYS A 404 -13.869 0.553 -2.705 1.00 0.00 C ATOM 770 O CYS A 404 -13.985 0.772 -3.911 1.00 0.00 O ATOM 771 CB CYS A 404 -12.603 -1.601 -2.494 1.00 0.00 C ATOM 772 SG CYS A 404 -11.119 -0.822 -1.780 1.00 0.00 S ATOM 0 H CYS A 404 -14.993 -1.754 -3.733 1.00 0.00 H new ATOM 0 HA CYS A 404 -14.032 -0.837 -1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.669 -2.628 -2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.490 -1.648 -3.577 1.00 0.00 H new ATOM 777 N THR A 405 -13.702 1.521 -1.807 1.00 0.00 N ATOM 778 CA THR A 405 -13.644 2.930 -2.193 1.00 0.00 C ATOM 779 C THR A 405 -12.577 3.663 -1.386 1.00 0.00 C ATOM 780 O THR A 405 -12.457 3.460 -0.177 1.00 0.00 O ATOM 781 CB THR A 405 -14.998 3.631 -1.984 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.349 3.611 -0.595 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.089 2.952 -2.796 1.00 0.00 C ATOM 0 H THR A 405 -13.604 1.356 -0.805 1.00 0.00 H new ATOM 0 HA THR A 405 -13.393 2.962 -3.253 1.00 0.00 H new ATOM 0 HB THR A 405 -14.905 4.663 -2.321 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.504 4.527 -0.284 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.037 3.465 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.833 2.992 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.181 1.912 -2.484 1.00 0.00 H new ATOM 791 N LEU A 406 -11.790 4.499 -2.059 1.00 0.00 N ATOM 792 CA LEU A 406 -10.721 5.235 -1.395 1.00 0.00 C ATOM 793 C LEU A 406 -11.282 6.284 -0.445 1.00 0.00 C ATOM 794 O LEU A 406 -12.223 7.003 -0.780 1.00 0.00 O ATOM 795 CB LEU A 406 -9.803 5.901 -2.421 1.00 0.00 C ATOM 796 CG LEU A 406 -8.503 6.476 -1.853 1.00 0.00 C ATOM 797 CD1 LEU A 406 -7.471 5.375 -1.630 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.946 7.556 -2.767 1.00 0.00 C ATOM 0 H LEU A 406 -11.873 4.682 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.141 4.518 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.553 5.170 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.354 6.704 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.729 6.928 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -6.557 5.810 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -7.866 4.643 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -7.251 4.885 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.022 7.950 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.742 7.131 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -8.674 8.362 -2.864 1.00 0.00 H new ATOM 810 N ASP A 407 -10.686 6.374 0.739 1.00 0.00 N ATOM 811 CA ASP A 407 -11.111 7.345 1.737 1.00 0.00 C ATOM 812 C ASP A 407 -10.118 8.499 1.795 1.00 0.00 C ATOM 813 O ASP A 407 -8.912 8.281 1.902 1.00 0.00 O ATOM 814 CB ASP A 407 -11.233 6.686 3.115 1.00 0.00 C ATOM 815 CG ASP A 407 -11.754 7.645 4.167 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.885 8.149 4.003 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.031 7.894 5.154 1.00 0.00 O ATOM 0 H ASP A 407 -9.906 5.785 1.030 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.090 7.730 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.901 5.827 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.258 6.308 3.422 1.00 0.00 H new ATOM 822 N LYS A 408 -10.625 9.724 1.714 1.00 0.00 N ATOM 823 CA LYS A 408 -9.767 10.902 1.749 1.00 0.00 C ATOM 824 C LYS A 408 -9.053 11.026 3.092 1.00 0.00 C ATOM 825 O LYS A 408 -7.857 11.312 3.138 1.00 0.00 O ATOM 826 CB LYS A 408 -10.579 12.164 1.457 1.00 0.00 C ATOM 827 CG LYS A 408 -11.750 12.375 2.403 1.00 0.00 C ATOM 828 CD LYS A 408 -12.498 13.661 2.088 1.00 0.00 C ATOM 829 CE LYS A 408 -11.611 14.883 2.271 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.336 16.149 1.974 1.00 0.00 N ATOM 0 H LYS A 408 -11.621 9.927 1.624 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.008 10.787 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.919 13.030 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.955 12.114 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.433 11.529 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.388 12.406 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.865 13.627 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.370 13.743 2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.239 14.910 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.742 14.801 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.695 16.956 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.670 16.135 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.151 16.241 2.614 1.00 0.00 H new ATOM 844 N GLU A 409 -9.785 10.804 4.180 1.00 0.00 N ATOM 845 CA GLU A 409 -9.203 10.887 5.517 1.00 0.00 C ATOM 846 C GLU A 409 -8.025 9.927 5.657 1.00 0.00 C ATOM 847 O GLU A 409 -6.965 10.299 6.160 1.00 0.00 O ATOM 848 CB GLU A 409 -10.250 10.574 6.592 1.00 0.00 C ATOM 849 CG GLU A 409 -11.227 11.709 6.858 1.00 0.00 C ATOM 850 CD GLU A 409 -12.063 12.068 5.647 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.767 11.179 5.126 1.00 0.00 O ATOM 852 OE2 GLU A 409 -12.018 13.244 5.225 1.00 0.00 O ATOM 0 H GLU A 409 -10.777 10.567 4.163 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.848 11.908 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.811 9.689 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.738 10.325 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.888 11.427 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -10.673 12.589 7.183 1.00 0.00 H new ATOM 859 N GLU A 410 -8.220 8.692 5.205 1.00 0.00 N ATOM 860 CA GLU A 410 -7.175 7.676 5.278 1.00 0.00 C ATOM 861 C GLU A 410 -5.989 8.057 4.400 1.00 0.00 C ATOM 862 O GLU A 410 -4.849 8.060 4.859 1.00 0.00 O ATOM 863 CB GLU A 410 -7.722 6.312 4.856 1.00 0.00 C ATOM 864 CG GLU A 410 -8.846 5.799 5.745 1.00 0.00 C ATOM 865 CD GLU A 410 -8.398 5.518 7.168 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.196 5.688 7.462 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.253 5.122 7.989 1.00 0.00 O ATOM 0 H GLU A 410 -9.092 8.370 4.784 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.836 7.614 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.084 6.378 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.908 5.587 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.652 6.533 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.256 4.886 5.312 1.00 0.00 H new ATOM 874 N ALA A 411 -6.266 8.384 3.139 1.00 0.00 N ATOM 875 CA ALA A 411 -5.214 8.774 2.202 1.00 0.00 C ATOM 876 C ALA A 411 -4.316 9.847 2.807 1.00 0.00 C ATOM 877 O ALA A 411 -3.096 9.807 2.655 1.00 0.00 O ATOM 878 CB ALA A 411 -5.826 9.270 0.900 1.00 0.00 C ATOM 0 H ALA A 411 -7.206 8.387 2.744 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.602 7.897 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.032 9.557 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.424 8.476 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.461 10.133 1.102 1.00 0.00 H new ATOM 884 N LYS A 412 -4.929 10.799 3.499 1.00 0.00 N ATOM 885 CA LYS A 412 -4.188 11.878 4.138 1.00 0.00 C ATOM 886 C LYS A 412 -3.238 11.330 5.197 1.00 0.00 C ATOM 887 O LYS A 412 -2.078 11.733 5.274 1.00 0.00 O ATOM 888 CB LYS A 412 -5.159 12.875 4.774 1.00 0.00 C ATOM 889 CG LYS A 412 -5.989 13.648 3.762 1.00 0.00 C ATOM 890 CD LYS A 412 -7.104 14.426 4.441 1.00 0.00 C ATOM 891 CE LYS A 412 -7.830 15.335 3.462 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.423 14.573 2.328 1.00 0.00 N ATOM 0 H LYS A 412 -5.939 10.845 3.632 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.598 12.387 3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.829 12.338 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.594 13.581 5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.347 14.335 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.415 12.957 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.814 13.730 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.689 15.023 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.617 15.877 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.135 16.079 3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.908 15.230 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.669 14.076 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -9.106 13.880 2.695 1.00 0.00 H new