USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HE2:sc= -2.54! C(o=-2.3!,f=-4.5!) USER MOD Set 1.2: A 405 THR OG1 : rot -90:sc= 0.23 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.0876 USER MOD Set 2.2: A 380 SER OG : rot 88:sc= 0.0911 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.866 F(o=-3.1!,f=-0.87) USER MOD Single : A 383 LYS NZ :NH3+ -167:sc= -0.0432 (180deg=-0.29) USER MOD Single : A 384 LYS NZ :NH3+ -139:sc=-0.000588 (180deg=-1.75!) 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+ 151:sc= -0.0197 (180deg=-1.41) 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= -1.23 X(o=-1.2,f=-1.4) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.242 F(o=-3!,f=-0.24) USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0392 (180deg=-0.255) USER MOD Single : A 403 LYS NZ :NH3+ 168:sc= -0.0249 (180deg=-0.211) USER MOD Single : A 408 LYS NZ :NH3+ 165:sc= -0.0526 (180deg=-0.331) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.486 4.898 -4.052 1.00 0.00 N ATOM 340 CA GLU A 376 -4.418 4.578 -5.126 1.00 0.00 C ATOM 341 C GLU A 376 -5.565 5.570 -5.187 1.00 0.00 C ATOM 342 O GLU A 376 -6.091 5.998 -4.163 1.00 0.00 O ATOM 343 CB GLU A 376 -4.967 3.166 -4.937 1.00 0.00 C ATOM 344 CG GLU A 376 -3.927 2.081 -5.152 1.00 0.00 C ATOM 345 CD GLU A 376 -3.467 1.981 -6.596 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.985 2.741 -7.441 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.590 1.138 -6.880 1.00 0.00 O ATOM 0 HA GLU A 376 -3.872 4.637 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.374 3.074 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.793 3.010 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.065 2.279 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.340 1.122 -4.840 1.00 0.00 H new ATOM 354 N THR A 377 -5.925 5.941 -6.400 1.00 0.00 N ATOM 355 CA THR A 377 -6.991 6.901 -6.629 1.00 0.00 C ATOM 356 C THR A 377 -8.363 6.247 -6.591 1.00 0.00 C ATOM 357 O THR A 377 -8.504 5.058 -6.866 1.00 0.00 O ATOM 358 CB THR A 377 -6.778 7.612 -7.968 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.000 6.704 -9.054 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.357 8.142 -8.025 1.00 0.00 C ATOM 0 H THR A 377 -5.490 5.588 -7.252 1.00 0.00 H new ATOM 0 HA THR A 377 -6.957 7.632 -5.821 1.00 0.00 H new ATOM 0 HB THR A 377 -7.485 8.437 -8.055 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.862 7.171 -9.904 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.196 8.650 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.197 8.844 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.655 7.313 -7.934 1.00 0.00 H new ATOM 368 N GLU A 378 -9.364 7.040 -6.225 1.00 0.00 N ATOM 369 CA GLU A 378 -10.739 6.560 -6.122 1.00 0.00 C ATOM 370 C GLU A 378 -11.130 5.720 -7.327 1.00 0.00 C ATOM 371 O GLU A 378 -11.717 4.650 -7.185 1.00 0.00 O ATOM 372 CB GLU A 378 -11.700 7.742 -5.981 1.00 0.00 C ATOM 373 CG GLU A 378 -13.151 7.329 -5.799 1.00 0.00 C ATOM 374 CD GLU A 378 -14.088 8.516 -5.694 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.920 9.326 -4.758 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.992 8.636 -6.548 1.00 0.00 O ATOM 0 H GLU A 378 -9.248 8.026 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.804 5.929 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.394 8.348 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.619 8.373 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.455 6.705 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.241 6.720 -4.900 1.00 0.00 H new ATOM 383 N GLY A 379 -10.805 6.213 -8.513 1.00 0.00 N ATOM 384 CA GLY A 379 -11.140 5.492 -9.723 1.00 0.00 C ATOM 385 C GLY A 379 -10.506 4.120 -9.789 1.00 0.00 C ATOM 386 O GLY A 379 -11.119 3.172 -10.280 1.00 0.00 O ATOM 0 H GLY A 379 -10.317 7.097 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.223 5.389 -9.790 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.821 6.075 -10.587 1.00 0.00 H new ATOM 390 N SER A 380 -9.279 4.011 -9.305 1.00 0.00 N ATOM 391 CA SER A 380 -8.570 2.739 -9.325 1.00 0.00 C ATOM 392 C SER A 380 -9.056 1.798 -8.224 1.00 0.00 C ATOM 393 O SER A 380 -9.302 0.613 -8.466 1.00 0.00 O ATOM 394 CB SER A 380 -7.072 2.974 -9.183 1.00 0.00 C ATOM 395 OG SER A 380 -6.573 3.768 -10.246 1.00 0.00 O ATOM 0 H SER A 380 -8.754 4.784 -8.895 1.00 0.00 H new ATOM 0 HA SER A 380 -8.777 2.262 -10.283 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.867 3.465 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.551 2.017 -9.166 1.00 0.00 H new ATOM 0 HG SER A 380 -6.662 4.716 -10.016 1.00 0.00 H new ATOM 401 N CYS A 381 -9.175 2.324 -7.010 1.00 0.00 N ATOM 402 CA CYS A 381 -9.600 1.515 -5.878 1.00 0.00 C ATOM 403 C CYS A 381 -10.975 0.900 -6.093 1.00 0.00 C ATOM 404 O CYS A 381 -11.236 -0.211 -5.632 1.00 0.00 O ATOM 405 CB CYS A 381 -9.596 2.317 -4.587 1.00 0.00 C ATOM 406 SG CYS A 381 -9.799 1.259 -3.130 1.00 0.00 S ATOM 0 H CYS A 381 -8.984 3.301 -6.787 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.875 0.706 -5.795 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -8.660 2.869 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.399 3.053 -4.615 1.00 0.00 H new ATOM 411 N ASN A 382 -11.853 1.609 -6.795 1.00 0.00 N ATOM 412 CA ASN A 382 -13.189 1.088 -7.063 1.00 0.00 C ATOM 413 C ASN A 382 -13.067 -0.296 -7.673 1.00 0.00 C ATOM 414 O ASN A 382 -13.934 -1.154 -7.499 1.00 0.00 O ATOM 415 CB ASN A 382 -13.955 2.008 -8.016 1.00 0.00 C ATOM 416 CG ASN A 382 -14.252 3.370 -7.416 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.896 3.558 -6.150 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.806 4.242 -8.083 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.668 2.533 -7.184 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.742 1.036 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.376 2.138 -8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.893 1.529 -8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.063 4.056 -9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.009 5.151 -7.667 1.00 0.00 H new ATOM 425 N LYS A 383 -11.968 -0.494 -8.385 1.00 0.00 N ATOM 426 CA LYS A 383 -11.683 -1.758 -9.033 1.00 0.00 C ATOM 427 C LYS A 383 -10.990 -2.715 -8.065 1.00 0.00 C ATOM 428 O LYS A 383 -11.119 -3.933 -8.190 1.00 0.00 O ATOM 429 CB LYS A 383 -10.811 -1.520 -10.266 1.00 0.00 C ATOM 430 CG LYS A 383 -11.291 -0.358 -11.127 1.00 0.00 C ATOM 431 CD LYS A 383 -12.724 -0.554 -11.603 1.00 0.00 C ATOM 432 CE LYS A 383 -12.856 -1.775 -12.500 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.972 -1.685 -13.694 1.00 0.00 N ATOM 0 H LYS A 383 -11.252 0.218 -8.528 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.623 -2.214 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.787 -1.328 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.792 -2.427 -10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.222 0.568 -10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.634 -0.251 -11.990 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -13.382 -0.663 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -13.052 0.333 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.608 -2.671 -11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.892 -1.878 -12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.245 -2.414 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.069 -0.745 -14.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.984 -1.833 -13.406 1.00 0.00 H new ATOM 447 N LYS A 384 -10.249 -2.158 -7.101 1.00 0.00 N ATOM 448 CA LYS A 384 -9.538 -2.968 -6.123 1.00 0.00 C ATOM 449 C LYS A 384 -10.482 -3.893 -5.363 1.00 0.00 C ATOM 450 O LYS A 384 -11.459 -3.446 -4.763 1.00 0.00 O ATOM 451 CB LYS A 384 -8.800 -2.058 -5.142 1.00 0.00 C ATOM 452 CG LYS A 384 -7.442 -1.567 -5.630 1.00 0.00 C ATOM 453 CD LYS A 384 -7.479 -1.064 -7.065 1.00 0.00 C ATOM 454 CE LYS A 384 -7.116 -2.156 -8.061 1.00 0.00 C ATOM 455 NZ LYS A 384 -7.162 -1.662 -9.465 1.00 0.00 N ATOM 0 H LYS A 384 -10.130 -1.152 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.823 -3.592 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.428 -1.194 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.662 -2.594 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.094 -0.766 -4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.718 -2.378 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.475 -0.684 -7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.787 -0.229 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -6.117 -2.531 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.804 -2.994 -7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.593 -2.387 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.729 -0.792 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -6.196 -1.462 -9.795 1.00 0.00 H new ATOM 469 N ASP A 385 -10.170 -5.187 -5.379 1.00 0.00 N ATOM 470 CA ASP A 385 -10.975 -6.176 -4.678 1.00 0.00 C ATOM 471 C ASP A 385 -10.685 -6.123 -3.183 1.00 0.00 C ATOM 472 O ASP A 385 -10.002 -5.216 -2.714 1.00 0.00 O ATOM 473 CB ASP A 385 -10.690 -7.578 -5.220 1.00 0.00 C ATOM 474 CG ASP A 385 -11.028 -7.712 -6.693 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.474 -6.713 -7.296 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.846 -8.819 -7.244 1.00 0.00 O ATOM 0 H ASP A 385 -9.364 -5.572 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.028 -5.947 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.637 -7.815 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.266 -8.308 -4.651 1.00 0.00 H new ATOM 481 N GLN A 386 -11.198 -7.097 -2.439 1.00 0.00 N ATOM 482 CA GLN A 386 -10.985 -7.147 -0.995 1.00 0.00 C ATOM 483 C GLN A 386 -9.502 -7.031 -0.657 1.00 0.00 C ATOM 484 O GLN A 386 -9.096 -6.157 0.108 1.00 0.00 O ATOM 485 CB GLN A 386 -11.550 -8.449 -0.423 1.00 0.00 C ATOM 486 CG GLN A 386 -11.428 -8.556 1.088 1.00 0.00 C ATOM 487 CD GLN A 386 -11.931 -9.885 1.619 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.410 -10.944 1.266 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.949 -9.835 2.469 1.00 0.00 N ATOM 0 H GLN A 386 -11.763 -7.861 -2.810 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.507 -6.302 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.601 -8.532 -0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.032 -9.292 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.385 -8.425 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.991 -7.746 1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.349 -8.935 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.331 -10.697 2.858 1.00 0.00 H new ATOM 498 N ASN A 387 -8.699 -7.915 -1.236 1.00 0.00 N ATOM 499 CA ASN A 387 -7.261 -7.913 -0.998 1.00 0.00 C ATOM 500 C ASN A 387 -6.609 -6.664 -1.588 1.00 0.00 C ATOM 501 O ASN A 387 -5.579 -6.202 -1.099 1.00 0.00 O ATOM 502 CB ASN A 387 -6.622 -9.170 -1.594 1.00 0.00 C ATOM 503 CG ASN A 387 -5.141 -9.265 -1.302 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.718 -9.225 -0.146 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.344 -9.404 -2.351 1.00 0.00 N ATOM 0 H ASN A 387 -9.020 -8.643 -1.874 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.098 -7.908 0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.124 -10.052 -1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.777 -9.175 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.336 -9.483 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.739 -9.432 -3.291 1.00 0.00 H new ATOM 512 N GLU A 388 -7.212 -6.128 -2.647 1.00 0.00 N ATOM 513 CA GLU A 388 -6.686 -4.938 -3.310 1.00 0.00 C ATOM 514 C GLU A 388 -7.112 -3.663 -2.592 1.00 0.00 C ATOM 515 O GLU A 388 -6.539 -2.599 -2.822 1.00 0.00 O ATOM 516 CB GLU A 388 -7.127 -4.907 -4.772 1.00 0.00 C ATOM 517 CG GLU A 388 -6.579 -6.062 -5.594 1.00 0.00 C ATOM 518 CD GLU A 388 -6.989 -5.993 -7.053 1.00 0.00 C ATOM 519 OE1 GLU A 388 -8.207 -6.013 -7.329 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.093 -5.919 -7.918 1.00 0.00 O ATOM 0 H GLU A 388 -8.066 -6.499 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.598 -4.987 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.216 -4.925 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.805 -3.967 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.491 -6.065 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.928 -7.003 -5.168 1.00 0.00 H new ATOM 527 N CYS A 389 -8.108 -3.776 -1.714 1.00 0.00 N ATOM 528 CA CYS A 389 -8.587 -2.627 -0.955 1.00 0.00 C ATOM 529 C CYS A 389 -7.409 -1.994 -0.225 1.00 0.00 C ATOM 530 O CYS A 389 -7.001 -2.451 0.843 1.00 0.00 O ATOM 531 CB CYS A 389 -9.675 -3.070 0.030 1.00 0.00 C ATOM 532 SG CYS A 389 -10.676 -1.712 0.711 1.00 0.00 S ATOM 0 H CYS A 389 -8.596 -4.649 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 389 -9.025 -1.888 -1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.337 -3.775 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.204 -3.606 0.854 1.00 0.00 H new ATOM 537 N LYS A 390 -6.840 -0.968 -0.848 1.00 0.00 N ATOM 538 CA LYS A 390 -5.667 -0.287 -0.310 1.00 0.00 C ATOM 539 C LYS A 390 -5.979 0.521 0.945 1.00 0.00 C ATOM 540 O LYS A 390 -7.128 0.875 1.210 1.00 0.00 O ATOM 541 CB LYS A 390 -5.055 0.603 -1.382 1.00 0.00 C ATOM 542 CG LYS A 390 -4.603 -0.174 -2.611 1.00 0.00 C ATOM 543 CD LYS A 390 -3.402 -1.054 -2.306 1.00 0.00 C ATOM 544 CE LYS A 390 -2.989 -1.870 -3.520 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.661 -1.006 -4.687 1.00 0.00 N ATOM 0 H LYS A 390 -7.175 -0.587 -1.733 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.950 -1.053 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.784 1.355 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -4.202 1.136 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -5.424 -0.792 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.351 0.523 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.567 -0.433 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.640 -1.724 -1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.123 -2.483 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.795 -2.553 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.956 -1.483 -5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.523 -0.830 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.274 -0.101 -4.351 1.00 0.00 H new ATOM 559 N SER A 391 -4.931 0.786 1.724 1.00 0.00 N ATOM 560 CA SER A 391 -5.048 1.525 2.971 1.00 0.00 C ATOM 561 C SER A 391 -5.669 2.909 2.767 1.00 0.00 C ATOM 562 O SER A 391 -6.656 3.239 3.424 1.00 0.00 O ATOM 563 CB SER A 391 -3.674 1.647 3.628 1.00 0.00 C ATOM 564 OG SER A 391 -3.118 0.371 3.891 1.00 0.00 O ATOM 0 H SER A 391 -3.979 0.493 1.505 1.00 0.00 H new ATOM 0 HA SER A 391 -5.719 0.969 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.006 2.211 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.761 2.208 4.559 1.00 0.00 H new ATOM 0 HG SER A 391 -2.238 0.477 4.310 1.00 0.00 H new ATOM 570 N PRO A 392 -5.119 3.746 1.857 1.00 0.00 N ATOM 571 CA PRO A 392 -5.662 5.078 1.603 1.00 0.00 C ATOM 572 C PRO A 392 -7.149 5.019 1.281 1.00 0.00 C ATOM 573 O PRO A 392 -7.881 5.996 1.457 1.00 0.00 O ATOM 574 CB PRO A 392 -4.868 5.574 0.385 1.00 0.00 C ATOM 575 CG PRO A 392 -4.159 4.388 -0.156 1.00 0.00 C ATOM 576 CD PRO A 392 -3.949 3.476 1.006 1.00 0.00 C ATOM 0 HA PRO A 392 -5.570 5.733 2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.532 6.006 -0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.162 6.353 0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.748 3.901 -0.934 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.208 4.673 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.908 2.432 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.015 3.692 1.524 1.00 0.00 H new ATOM 584 N CYS A 393 -7.580 3.860 0.798 1.00 0.00 N ATOM 585 CA CYS A 393 -8.972 3.648 0.436 1.00 0.00 C ATOM 586 C CYS A 393 -9.846 3.467 1.669 1.00 0.00 C ATOM 587 O CYS A 393 -9.510 3.925 2.762 1.00 0.00 O ATOM 588 CB CYS A 393 -9.085 2.414 -0.459 1.00 0.00 C ATOM 589 SG CYS A 393 -10.416 2.518 -1.685 1.00 0.00 S ATOM 0 H CYS A 393 -6.980 3.049 0.648 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.322 4.531 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.138 2.265 -0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.248 1.537 0.167 1.00 0.00 H new ATOM 594 N LYS A 394 -10.964 2.785 1.477 1.00 0.00 N ATOM 595 CA LYS A 394 -11.906 2.513 2.556 1.00 0.00 C ATOM 596 C LYS A 394 -12.736 1.279 2.228 1.00 0.00 C ATOM 597 O LYS A 394 -13.495 1.263 1.260 1.00 0.00 O ATOM 598 CB LYS A 394 -12.810 3.725 2.788 1.00 0.00 C ATOM 599 CG LYS A 394 -13.829 3.530 3.901 1.00 0.00 C ATOM 600 CD LYS A 394 -14.584 4.818 4.201 1.00 0.00 C ATOM 601 CE LYS A 394 -15.339 5.328 2.982 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.106 6.569 3.282 1.00 0.00 N ATOM 0 H LYS A 394 -11.245 2.405 0.573 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.348 2.321 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.189 4.589 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.337 3.955 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.536 2.751 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.323 3.186 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.286 4.646 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.882 5.580 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.634 5.524 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -16.022 4.556 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.606 6.884 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.797 6.377 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.452 7.315 3.594 1.00 0.00 H new ATOM 616 N TRP A 395 -12.563 0.238 3.035 1.00 0.00 N ATOM 617 CA TRP A 395 -13.266 -1.022 2.834 1.00 0.00 C ATOM 618 C TRP A 395 -14.740 -0.920 3.213 1.00 0.00 C ATOM 619 O TRP A 395 -15.112 -0.177 4.121 1.00 0.00 O ATOM 620 CB TRP A 395 -12.590 -2.132 3.644 1.00 0.00 C ATOM 621 CG TRP A 395 -13.144 -3.501 3.378 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.490 -4.437 4.311 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.404 -4.096 2.099 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.953 -5.573 3.692 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.910 -5.389 2.335 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.261 -3.662 0.776 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.272 -6.247 1.300 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.620 -4.516 -0.249 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.121 -5.796 0.018 1.00 0.00 C ATOM 0 H TRP A 395 -11.937 0.244 3.840 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.217 -1.262 1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.523 -2.133 3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.694 -1.909 4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.411 -4.303 5.380 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.276 -6.416 4.166 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.876 -2.676 0.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.659 -7.235 1.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.512 -4.191 -1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.394 -6.440 -0.805 1.00 0.00 H new ATOM 640 N HIS A 396 -15.573 -1.687 2.511 1.00 0.00 N ATOM 641 CA HIS A 396 -17.008 -1.706 2.767 1.00 0.00 C ATOM 642 C HIS A 396 -17.545 -3.131 2.716 1.00 0.00 C ATOM 643 O HIS A 396 -17.647 -3.734 1.642 1.00 0.00 O ATOM 644 CB HIS A 396 -17.749 -0.832 1.753 1.00 0.00 C ATOM 645 CG HIS A 396 -17.497 0.633 1.927 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.807 1.315 3.085 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.964 1.549 1.083 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.477 2.587 2.945 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.963 2.755 1.740 1.00 0.00 N ATOM 0 H HIS A 396 -15.274 -2.306 1.757 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.177 -1.304 3.766 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.452 -1.126 0.746 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.819 -1.021 1.837 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.225 0.902 3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.607 1.365 0.081 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.606 3.358 3.690 1.00 0.00 H new ATOM 658 N ASN A 397 -17.887 -3.657 3.890 1.00 0.00 N ATOM 659 CA ASN A 397 -18.419 -5.008 4.018 1.00 0.00 C ATOM 660 C ASN A 397 -19.924 -5.025 3.777 1.00 0.00 C ATOM 661 O ASN A 397 -20.561 -3.971 3.743 1.00 0.00 O ATOM 662 CB ASN A 397 -18.102 -5.570 5.407 1.00 0.00 C ATOM 663 CG ASN A 397 -18.546 -7.011 5.569 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.089 -7.899 4.849 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.443 -7.251 6.519 1.00 0.00 N ATOM 0 H ASN A 397 -17.803 -3.159 4.776 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.945 -5.635 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.029 -5.502 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.591 -4.956 6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.779 -8.201 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.795 -6.485 7.093 1.00 0.00 H new ATOM 672 N ASP A 398 -20.479 -6.227 3.603 1.00 0.00 N ATOM 673 CA ASP A 398 -21.912 -6.405 3.359 1.00 0.00 C ATOM 674 C ASP A 398 -22.276 -6.051 1.920 1.00 0.00 C ATOM 675 O ASP A 398 -23.282 -6.529 1.395 1.00 0.00 O ATOM 676 CB ASP A 398 -22.748 -5.571 4.336 1.00 0.00 C ATOM 677 CG ASP A 398 -24.239 -5.740 4.110 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.731 -6.881 4.229 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.913 -4.731 3.814 1.00 0.00 O ATOM 0 H ASP A 398 -19.951 -7.099 3.627 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.140 -7.458 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.503 -5.860 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.484 -4.519 4.230 1.00 0.00 H new ATOM 684 N ALA A 399 -21.452 -5.217 1.288 1.00 0.00 N ATOM 685 CA ALA A 399 -21.690 -4.810 -0.092 1.00 0.00 C ATOM 686 C ALA A 399 -21.959 -6.027 -0.971 1.00 0.00 C ATOM 687 O ALA A 399 -21.264 -7.039 -0.873 1.00 0.00 O ATOM 688 CB ALA A 399 -20.502 -4.017 -0.619 1.00 0.00 C ATOM 0 H ALA A 399 -20.616 -4.812 1.710 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.572 -4.170 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.692 -3.719 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.357 -3.128 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.605 -4.635 -0.579 1.00 0.00 H new ATOM 694 N GLU A 400 -22.981 -5.927 -1.816 1.00 0.00 N ATOM 695 CA GLU A 400 -23.357 -7.025 -2.702 1.00 0.00 C ATOM 696 C GLU A 400 -22.164 -7.525 -3.512 1.00 0.00 C ATOM 697 O GLU A 400 -21.980 -8.732 -3.679 1.00 0.00 O ATOM 698 CB GLU A 400 -24.479 -6.583 -3.645 1.00 0.00 C ATOM 699 CG GLU A 400 -25.747 -6.156 -2.923 1.00 0.00 C ATOM 700 CD GLU A 400 -26.845 -5.725 -3.876 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.266 -6.553 -4.711 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.285 -4.560 -3.788 1.00 0.00 O ATOM 0 H GLU A 400 -23.565 -5.095 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 400 -23.710 -7.847 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.123 -5.754 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.716 -7.402 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.107 -6.982 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.516 -5.334 -2.246 1.00 0.00 H new ATOM 709 N ASN A 401 -21.354 -6.596 -4.008 1.00 0.00 N ATOM 710 CA ASN A 401 -20.178 -6.945 -4.799 1.00 0.00 C ATOM 711 C ASN A 401 -18.917 -6.416 -4.133 1.00 0.00 C ATOM 712 O ASN A 401 -17.884 -6.253 -4.783 1.00 0.00 O ATOM 713 CB ASN A 401 -20.288 -6.362 -6.213 1.00 0.00 C ATOM 714 CG ASN A 401 -21.462 -6.907 -7.015 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.191 -7.865 -6.455 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.706 -6.469 -8.139 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.490 -5.594 -3.876 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.124 -8.032 -4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.381 -5.278 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -19.364 -6.568 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.123 -5.732 -8.537 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.491 -6.843 -8.673 1.00 0.00 H new ATOM 723 N LYS A 402 -19.017 -6.140 -2.834 1.00 0.00 N ATOM 724 CA LYS A 402 -17.891 -5.612 -2.066 1.00 0.00 C ATOM 725 C LYS A 402 -17.518 -4.220 -2.561 1.00 0.00 C ATOM 726 O LYS A 402 -17.518 -3.963 -3.766 1.00 0.00 O ATOM 727 CB LYS A 402 -16.683 -6.547 -2.163 1.00 0.00 C ATOM 728 CG LYS A 402 -16.934 -7.935 -1.593 1.00 0.00 C ATOM 729 CD LYS A 402 -17.288 -7.878 -0.116 1.00 0.00 C ATOM 730 CE LYS A 402 -17.486 -9.267 0.464 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.244 -10.083 0.383 1.00 0.00 N ATOM 0 H LYS A 402 -19.869 -6.274 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.193 -5.545 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.391 -6.641 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.842 -6.095 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.744 -8.414 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.046 -8.552 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.496 -7.365 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.198 -7.293 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.799 -9.185 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.289 -9.773 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.333 -10.913 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.098 -10.397 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.431 -9.510 0.687 1.00 0.00 H new ATOM 745 N LYS A 403 -17.218 -3.311 -1.638 1.00 0.00 N ATOM 746 CA LYS A 403 -16.869 -1.949 -2.024 1.00 0.00 C ATOM 747 C LYS A 403 -15.632 -1.433 -1.296 1.00 0.00 C ATOM 748 O LYS A 403 -15.434 -1.698 -0.113 1.00 0.00 O ATOM 749 CB LYS A 403 -18.048 -1.012 -1.769 1.00 0.00 C ATOM 750 CG LYS A 403 -19.292 -1.377 -2.560 1.00 0.00 C ATOM 751 CD LYS A 403 -20.407 -0.363 -2.353 1.00 0.00 C ATOM 752 CE LYS A 403 -19.999 1.023 -2.830 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.650 1.033 -4.278 1.00 0.00 N ATOM 0 H LYS A 403 -17.209 -3.489 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.635 -1.970 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.287 -1.022 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.753 0.007 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.045 -1.435 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.638 -2.366 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.298 -0.686 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.671 -0.322 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.814 1.724 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.145 1.370 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.576 2.016 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.740 0.550 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.390 0.540 -4.817 1.00 0.00 H new ATOM 767 N CYS A 404 -14.819 -0.670 -2.022 1.00 0.00 N ATOM 768 CA CYS A 404 -13.605 -0.074 -1.474 1.00 0.00 C ATOM 769 C CYS A 404 -13.386 1.301 -2.106 1.00 0.00 C ATOM 770 O CYS A 404 -12.762 1.417 -3.161 1.00 0.00 O ATOM 771 CB CYS A 404 -12.384 -0.970 -1.733 1.00 0.00 C ATOM 772 SG CYS A 404 -10.875 -0.436 -0.852 1.00 0.00 S ATOM 0 H CYS A 404 -14.983 -0.448 -3.004 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.724 0.030 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.625 -1.991 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.180 -0.990 -2.804 1.00 0.00 H new ATOM 777 N THR A 405 -13.928 2.336 -1.466 1.00 0.00 N ATOM 778 CA THR A 405 -13.818 3.702 -1.972 1.00 0.00 C ATOM 779 C THR A 405 -12.622 4.435 -1.377 1.00 0.00 C ATOM 780 O THR A 405 -12.354 4.346 -0.178 1.00 0.00 O ATOM 781 CB THR A 405 -15.095 4.513 -1.682 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.356 4.532 -0.273 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.287 3.924 -2.420 1.00 0.00 C ATOM 0 H THR A 405 -14.449 2.253 -0.593 1.00 0.00 H new ATOM 0 HA THR A 405 -13.679 3.618 -3.050 1.00 0.00 H new ATOM 0 HB THR A 405 -14.940 5.533 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.925 3.770 -0.035 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.178 4.513 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 405 -16.096 3.942 -3.493 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.443 2.895 -2.096 1.00 0.00 H new ATOM 791 N LEU A 406 -11.905 5.158 -2.232 1.00 0.00 N ATOM 792 CA LEU A 406 -10.735 5.913 -1.817 1.00 0.00 C ATOM 793 C LEU A 406 -11.156 7.143 -1.030 1.00 0.00 C ATOM 794 O LEU A 406 -12.188 7.751 -1.316 1.00 0.00 O ATOM 795 CB LEU A 406 -9.912 6.305 -3.045 1.00 0.00 C ATOM 796 CG LEU A 406 -8.513 6.864 -2.773 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.574 8.311 -2.321 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.783 6.009 -1.749 1.00 0.00 C ATOM 0 H LEU A 406 -12.120 5.235 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.117 5.292 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.812 5.428 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.474 7.049 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.954 6.833 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.564 8.677 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.043 8.915 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.159 8.381 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.791 6.423 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.346 5.999 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.688 4.991 -2.126 1.00 0.00 H new ATOM 810 N ASP A 407 -10.358 7.507 -0.037 1.00 0.00 N ATOM 811 CA ASP A 407 -10.661 8.667 0.788 1.00 0.00 C ATOM 812 C ASP A 407 -9.406 9.487 1.046 1.00 0.00 C ATOM 813 O ASP A 407 -8.362 8.946 1.410 1.00 0.00 O ATOM 814 CB ASP A 407 -11.286 8.227 2.112 1.00 0.00 C ATOM 815 CG ASP A 407 -11.585 9.398 3.026 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.360 10.288 2.617 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.045 9.426 4.152 1.00 0.00 O ATOM 0 H ASP A 407 -9.499 7.018 0.216 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.375 9.292 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.208 7.681 1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.611 7.537 2.618 1.00 0.00 H new ATOM 822 N LYS A 408 -9.515 10.795 0.851 1.00 0.00 N ATOM 823 CA LYS A 408 -8.389 11.693 1.058 1.00 0.00 C ATOM 824 C LYS A 408 -7.944 11.672 2.514 1.00 0.00 C ATOM 825 O LYS A 408 -6.773 11.439 2.806 1.00 0.00 O ATOM 826 CB LYS A 408 -8.765 13.117 0.650 1.00 0.00 C ATOM 827 CG LYS A 408 -9.221 13.233 -0.795 1.00 0.00 C ATOM 828 CD LYS A 408 -9.635 14.655 -1.133 1.00 0.00 C ATOM 829 CE LYS A 408 -10.128 14.762 -2.567 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.298 13.876 -2.819 1.00 0.00 N ATOM 0 H LYS A 408 -10.373 11.257 0.550 1.00 0.00 H new ATOM 0 HA LYS A 408 -7.562 11.351 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.560 13.476 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -7.906 13.770 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -8.415 12.920 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.058 12.557 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.421 14.979 -0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -8.789 15.327 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.402 15.795 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -9.320 14.499 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.760 14.155 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -10.977 12.889 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.975 13.964 -2.035 1.00 0.00 H new ATOM 844 N GLU A 409 -8.889 11.911 3.421 1.00 0.00 N ATOM 845 CA GLU A 409 -8.600 11.919 4.853 1.00 0.00 C ATOM 846 C GLU A 409 -7.843 10.659 5.260 1.00 0.00 C ATOM 847 O GLU A 409 -6.898 10.713 6.052 1.00 0.00 O ATOM 848 CB GLU A 409 -9.901 12.024 5.653 1.00 0.00 C ATOM 849 CG GLU A 409 -10.712 13.276 5.347 1.00 0.00 C ATOM 850 CD GLU A 409 -10.004 14.554 5.757 1.00 0.00 C ATOM 851 OE1 GLU A 409 -8.918 14.838 5.208 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.538 15.271 6.629 1.00 0.00 O ATOM 0 H GLU A 409 -9.864 12.102 3.189 1.00 0.00 H new ATOM 0 HA GLU A 409 -7.974 12.785 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.514 11.146 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.665 12.007 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.926 13.312 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.671 13.217 5.862 1.00 0.00 H new ATOM 859 N GLU A 410 -8.254 9.529 4.697 1.00 0.00 N ATOM 860 CA GLU A 410 -7.607 8.259 4.986 1.00 0.00 C ATOM 861 C GLU A 410 -6.191 8.285 4.441 1.00 0.00 C ATOM 862 O GLU A 410 -5.237 7.934 5.135 1.00 0.00 O ATOM 863 CB GLU A 410 -8.394 7.099 4.373 1.00 0.00 C ATOM 864 CG GLU A 410 -7.832 5.729 4.721 1.00 0.00 C ATOM 865 CD GLU A 410 -7.892 5.426 6.208 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.248 6.157 6.991 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.582 4.458 6.588 1.00 0.00 O ATOM 0 H GLU A 410 -9.031 9.468 4.039 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.578 8.110 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.429 7.154 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.407 7.212 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.388 4.965 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.797 5.670 4.385 1.00 0.00 H new ATOM 874 N ALA A 411 -6.065 8.729 3.195 1.00 0.00 N ATOM 875 CA ALA A 411 -4.766 8.836 2.552 1.00 0.00 C ATOM 876 C ALA A 411 -3.824 9.685 3.397 1.00 0.00 C ATOM 877 O ALA A 411 -2.615 9.458 3.412 1.00 0.00 O ATOM 878 CB ALA A 411 -4.915 9.431 1.161 1.00 0.00 C ATOM 0 H ALA A 411 -6.850 9.020 2.612 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.339 7.837 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -3.935 9.506 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.559 8.791 0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.358 10.424 1.236 1.00 0.00 H new ATOM 884 N LYS A 412 -4.388 10.666 4.101 1.00 0.00 N ATOM 885 CA LYS A 412 -3.594 11.546 4.950 1.00 0.00 C ATOM 886 C LYS A 412 -2.948 10.751 6.077 1.00 0.00 C ATOM 887 O LYS A 412 -1.749 10.864 6.324 1.00 0.00 O ATOM 888 CB LYS A 412 -4.458 12.660 5.555 1.00 0.00 C ATOM 889 CG LYS A 412 -5.450 13.299 4.590 1.00 0.00 C ATOM 890 CD LYS A 412 -4.816 13.630 3.251 1.00 0.00 C ATOM 891 CE LYS A 412 -5.727 14.504 2.403 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.104 14.856 1.097 1.00 0.00 N ATOM 0 H LYS A 412 -5.388 10.869 4.099 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.822 11.997 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.009 12.253 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -3.801 13.437 5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.290 12.622 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.852 14.209 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -3.867 14.142 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -4.593 12.707 2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.668 13.983 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.965 15.417 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.758 15.452 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.219 15.376 1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.900 13.987 0.564 1.00 0.00 H new