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= 0.591 K(o=1.2,f=-4.3!) USER MOD Set 1.2: A 405 THR OG1 : rot -169:sc= 0.623 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.213 USER MOD Set 2.2: A 380 SER OG : rot 84:sc= 0.219 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.626 F(o=-3.6!,f=-0.63) USER MOD Single : A 383 LYS NZ :NH3+ -166:sc= -0.0446 (180deg=-0.288) USER MOD Single : A 384 LYS NZ :NH3+ -119:sc= -0.263 (180deg=-2.96!) USER MOD Single : A 386 GLN : amide:sc= 0.0617 X(o=0.062,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= 0.414 K(o=0.41,f=-3.4!) USER MOD Single : A 401 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.045) USER MOD Single : A 402 LYS NZ :NH3+ -140:sc= -0.739 (180deg=-1.72!) 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+ 157:sc= -2.2! (180deg=-4.21!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.000 4.611 -3.024 1.00 0.00 N ATOM 340 CA GLU A 376 -3.942 4.412 -4.111 1.00 0.00 C ATOM 341 C GLU A 376 -4.989 5.506 -4.132 1.00 0.00 C ATOM 342 O GLU A 376 -5.477 5.948 -3.093 1.00 0.00 O ATOM 343 CB GLU A 376 -4.613 3.049 -3.981 1.00 0.00 C ATOM 344 CG GLU A 376 -3.619 1.906 -3.972 1.00 0.00 C ATOM 345 CD GLU A 376 -2.936 1.704 -5.313 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.259 2.446 -6.265 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.079 0.801 -5.411 1.00 0.00 O ATOM 0 HA GLU A 376 -3.389 4.451 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.198 3.023 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.311 2.912 -4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.863 2.095 -3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.133 0.987 -3.690 1.00 0.00 H new ATOM 354 N THR A 377 -5.310 5.939 -5.331 1.00 0.00 N ATOM 355 CA THR A 377 -6.283 6.993 -5.535 1.00 0.00 C ATOM 356 C THR A 377 -7.699 6.439 -5.572 1.00 0.00 C ATOM 357 O THR A 377 -7.903 5.256 -5.836 1.00 0.00 O ATOM 358 CB THR A 377 -5.969 7.756 -6.823 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.215 6.924 -7.964 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.511 8.183 -6.804 1.00 0.00 C ATOM 0 H THR A 377 -4.905 5.572 -6.192 1.00 0.00 H new ATOM 0 HA THR A 377 -6.220 7.682 -4.692 1.00 0.00 H new ATOM 0 HB THR A 377 -6.611 8.635 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.012 7.423 -8.783 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.279 8.728 -7.719 1.00 0.00 H new ATOM 0 HG22 THR A 377 -4.332 8.827 -5.943 1.00 0.00 H new ATOM 0 HG23 THR A 377 -3.874 7.301 -6.736 1.00 0.00 H new ATOM 368 N GLU A 378 -8.669 7.301 -5.286 1.00 0.00 N ATOM 369 CA GLU A 378 -10.074 6.905 -5.266 1.00 0.00 C ATOM 370 C GLU A 378 -10.422 6.054 -6.479 1.00 0.00 C ATOM 371 O GLU A 378 -11.086 5.025 -6.359 1.00 0.00 O ATOM 372 CB GLU A 378 -10.972 8.141 -5.225 1.00 0.00 C ATOM 373 CG GLU A 378 -12.454 7.813 -5.146 1.00 0.00 C ATOM 374 CD GLU A 378 -13.332 9.051 -5.173 1.00 0.00 C ATOM 375 OE1 GLU A 378 -12.781 10.169 -5.252 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.570 8.901 -5.116 1.00 0.00 O ATOM 0 H GLU A 378 -8.507 8.283 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.241 6.309 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -10.697 8.751 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -10.788 8.743 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -12.723 7.164 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -12.650 7.254 -4.231 1.00 0.00 H new ATOM 383 N GLY A 379 -9.967 6.487 -7.647 1.00 0.00 N ATOM 384 CA GLY A 379 -10.239 5.749 -8.864 1.00 0.00 C ATOM 385 C GLY A 379 -9.644 4.358 -8.840 1.00 0.00 C ATOM 386 O GLY A 379 -10.259 3.403 -9.316 1.00 0.00 O ATOM 0 H GLY A 379 -9.415 7.335 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.317 5.678 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.838 6.298 -9.716 1.00 0.00 H new ATOM 390 N SER A 380 -8.443 4.243 -8.286 1.00 0.00 N ATOM 391 CA SER A 380 -7.762 2.958 -8.202 1.00 0.00 C ATOM 392 C SER A 380 -8.465 2.019 -7.226 1.00 0.00 C ATOM 393 O SER A 380 -8.744 0.869 -7.556 1.00 0.00 O ATOM 394 CB SER A 380 -6.312 3.157 -7.778 1.00 0.00 C ATOM 395 OG SER A 380 -5.610 3.956 -8.715 1.00 0.00 O ATOM 0 H SER A 380 -7.921 5.024 -7.889 1.00 0.00 H new ATOM 0 HA SER A 380 -7.789 2.501 -9.191 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.279 3.629 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.822 2.188 -7.683 1.00 0.00 H new ATOM 0 HG SER A 380 -5.770 4.903 -8.522 1.00 0.00 H new ATOM 401 N CYS A 381 -8.743 2.516 -6.023 1.00 0.00 N ATOM 402 CA CYS A 381 -9.406 1.722 -4.990 1.00 0.00 C ATOM 403 C CYS A 381 -10.673 1.057 -5.514 1.00 0.00 C ATOM 404 O CYS A 381 -10.900 -0.130 -5.282 1.00 0.00 O ATOM 405 CB CYS A 381 -9.747 2.598 -3.786 1.00 0.00 C ATOM 406 SG CYS A 381 -8.300 3.110 -2.811 1.00 0.00 S ATOM 0 H CYS A 381 -8.518 3.469 -5.738 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.713 0.937 -4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.271 3.488 -4.134 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.435 2.055 -3.138 1.00 0.00 H new ATOM 411 N ASN A 382 -11.495 1.830 -6.212 1.00 0.00 N ATOM 412 CA ASN A 382 -12.747 1.317 -6.762 1.00 0.00 C ATOM 413 C ASN A 382 -12.511 0.052 -7.582 1.00 0.00 C ATOM 414 O ASN A 382 -13.401 -0.787 -7.719 1.00 0.00 O ATOM 415 CB ASN A 382 -13.417 2.374 -7.645 1.00 0.00 C ATOM 416 CG ASN A 382 -13.692 3.676 -6.916 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.331 3.741 -5.640 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.226 4.621 -7.499 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.319 2.815 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.400 1.076 -5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.780 2.575 -8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.356 1.975 -8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.489 4.532 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.405 5.492 -7.000 1.00 0.00 H new ATOM 425 N LYS A 383 -11.312 -0.066 -8.141 1.00 0.00 N ATOM 426 CA LYS A 383 -10.958 -1.210 -8.967 1.00 0.00 C ATOM 427 C LYS A 383 -10.347 -2.340 -8.142 1.00 0.00 C ATOM 428 O LYS A 383 -10.528 -3.517 -8.458 1.00 0.00 O ATOM 429 CB LYS A 383 -9.984 -0.774 -10.061 1.00 0.00 C ATOM 430 CG LYS A 383 -10.438 0.469 -10.817 1.00 0.00 C ATOM 431 CD LYS A 383 -11.784 0.259 -11.498 1.00 0.00 C ATOM 432 CE LYS A 383 -11.708 -0.819 -12.569 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.731 -0.470 -13.638 1.00 0.00 N ATOM 0 H LYS A 383 -10.566 0.622 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.873 -1.592 -9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.009 -0.582 -9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.854 -1.593 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.508 1.309 -10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.690 0.733 -11.565 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.530 -0.019 -10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.115 1.196 -11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.423 -1.766 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.694 -0.962 -13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.874 -1.095 -14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.872 0.519 -13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.763 -0.589 -13.276 1.00 0.00 H new ATOM 447 N LYS A 384 -9.609 -1.981 -7.095 1.00 0.00 N ATOM 448 CA LYS A 384 -8.959 -2.966 -6.243 1.00 0.00 C ATOM 449 C LYS A 384 -9.971 -3.848 -5.522 1.00 0.00 C ATOM 450 O LYS A 384 -10.874 -3.353 -4.847 1.00 0.00 O ATOM 451 CB LYS A 384 -8.062 -2.253 -5.232 1.00 0.00 C ATOM 452 CG LYS A 384 -6.700 -1.828 -5.778 1.00 0.00 C ATOM 453 CD LYS A 384 -6.784 -1.202 -7.164 1.00 0.00 C ATOM 454 CE LYS A 384 -6.589 -2.237 -8.265 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.680 -1.632 -9.622 1.00 0.00 N ATOM 0 H LYS A 384 -9.447 -1.013 -6.818 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.356 -3.616 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.583 -1.369 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.907 -2.911 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.245 -1.115 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.043 -2.697 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.754 -0.719 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.026 -0.424 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.616 -2.714 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.342 -3.019 -8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.468 -2.066 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.844 -0.609 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.792 -1.798 -10.136 1.00 0.00 H new ATOM 469 N ASP A 385 -9.801 -5.161 -5.659 1.00 0.00 N ATOM 470 CA ASP A 385 -10.687 -6.120 -5.012 1.00 0.00 C ATOM 471 C ASP A 385 -10.396 -6.179 -3.516 1.00 0.00 C ATOM 472 O ASP A 385 -9.543 -5.447 -3.020 1.00 0.00 O ATOM 473 CB ASP A 385 -10.522 -7.505 -5.638 1.00 0.00 C ATOM 474 CG ASP A 385 -10.890 -7.518 -7.109 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.251 -6.780 -7.887 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.817 -8.268 -7.482 1.00 0.00 O ATOM 0 H ASP A 385 -9.056 -5.584 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.717 -5.795 -5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.489 -7.834 -5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.147 -8.220 -5.103 1.00 0.00 H new ATOM 481 N GLN A 386 -11.107 -7.049 -2.805 1.00 0.00 N ATOM 482 CA GLN A 386 -10.925 -7.194 -1.362 1.00 0.00 C ATOM 483 C GLN A 386 -9.445 -7.299 -0.999 1.00 0.00 C ATOM 484 O GLN A 386 -8.950 -6.560 -0.149 1.00 0.00 O ATOM 485 CB GLN A 386 -11.673 -8.430 -0.856 1.00 0.00 C ATOM 486 CG GLN A 386 -11.607 -8.612 0.651 1.00 0.00 C ATOM 487 CD GLN A 386 -12.335 -9.856 1.119 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.978 -10.974 0.749 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.366 -9.666 1.935 1.00 0.00 N ATOM 0 H GLN A 386 -11.815 -7.665 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.332 -6.304 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.718 -8.360 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.260 -9.316 -1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.564 -8.667 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.039 -7.738 1.138 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.627 -8.721 2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.897 -10.465 2.281 1.00 0.00 H new ATOM 498 N ASN A 387 -8.746 -8.220 -1.652 1.00 0.00 N ATOM 499 CA ASN A 387 -7.325 -8.422 -1.402 1.00 0.00 C ATOM 500 C ASN A 387 -6.507 -7.215 -1.855 1.00 0.00 C ATOM 501 O ASN A 387 -5.513 -6.855 -1.224 1.00 0.00 O ATOM 502 CB ASN A 387 -6.836 -9.681 -2.120 1.00 0.00 C ATOM 503 CG ASN A 387 -5.366 -9.946 -1.889 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.919 -10.086 -0.752 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.608 -10.022 -2.972 1.00 0.00 N ATOM 0 H ASN A 387 -9.141 -8.839 -2.360 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.188 -8.544 -0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.415 -10.539 -1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.020 -9.580 -3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.608 -10.204 -2.883 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.024 -9.899 -3.895 1.00 0.00 H new ATOM 512 N GLU A 388 -6.928 -6.600 -2.956 1.00 0.00 N ATOM 513 CA GLU A 388 -6.229 -5.439 -3.501 1.00 0.00 C ATOM 514 C GLU A 388 -6.611 -4.163 -2.763 1.00 0.00 C ATOM 515 O GLU A 388 -6.026 -3.107 -2.998 1.00 0.00 O ATOM 516 CB GLU A 388 -6.534 -5.291 -4.992 1.00 0.00 C ATOM 517 CG GLU A 388 -6.082 -6.478 -5.827 1.00 0.00 C ATOM 518 CD GLU A 388 -6.374 -6.297 -7.304 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.562 -6.157 -7.662 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.414 -6.293 -8.102 1.00 0.00 O ATOM 0 H GLU A 388 -7.750 -6.886 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.159 -5.600 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.607 -5.153 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.049 -4.389 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.011 -6.629 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.580 -7.379 -5.470 1.00 0.00 H new ATOM 527 N CYS A 389 -7.596 -4.262 -1.876 1.00 0.00 N ATOM 528 CA CYS A 389 -8.043 -3.105 -1.121 1.00 0.00 C ATOM 529 C CYS A 389 -6.899 -2.573 -0.261 1.00 0.00 C ATOM 530 O CYS A 389 -6.640 -3.076 0.833 1.00 0.00 O ATOM 531 CB CYS A 389 -9.251 -3.475 -0.259 1.00 0.00 C ATOM 532 SG CYS A 389 -10.345 -2.068 0.114 1.00 0.00 S ATOM 0 H CYS A 389 -8.095 -5.127 -1.666 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.347 -2.319 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.828 -4.246 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.899 -3.908 0.677 1.00 0.00 H new ATOM 537 N LYS A 390 -6.203 -1.568 -0.783 1.00 0.00 N ATOM 538 CA LYS A 390 -5.062 -0.973 -0.092 1.00 0.00 C ATOM 539 C LYS A 390 -5.483 -0.163 1.132 1.00 0.00 C ATOM 540 O LYS A 390 -6.662 0.131 1.324 1.00 0.00 O ATOM 541 CB LYS A 390 -4.262 -0.107 -1.059 1.00 0.00 C ATOM 542 CG LYS A 390 -3.481 -0.916 -2.088 1.00 0.00 C ATOM 543 CD LYS A 390 -2.325 -1.664 -1.442 1.00 0.00 C ATOM 544 CE LYS A 390 -1.516 -2.442 -2.469 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.371 -3.161 -1.844 1.00 0.00 N ATOM 0 H LYS A 390 -6.410 -1.146 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.434 -1.788 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.942 0.569 -1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.568 0.513 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.148 -1.626 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.099 -0.251 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.675 -0.956 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.711 -2.349 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.163 -3.159 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.143 -1.758 -3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.155 -3.679 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 0.261 -2.475 -1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.728 -3.832 -1.134 1.00 0.00 H new ATOM 559 N SER A 391 -4.497 0.173 1.963 1.00 0.00 N ATOM 560 CA SER A 391 -4.727 0.925 3.188 1.00 0.00 C ATOM 561 C SER A 391 -5.545 2.194 2.949 1.00 0.00 C ATOM 562 O SER A 391 -6.569 2.395 3.602 1.00 0.00 O ATOM 563 CB SER A 391 -3.389 1.268 3.840 1.00 0.00 C ATOM 564 OG SER A 391 -2.670 0.095 4.174 1.00 0.00 O ATOM 0 H SER A 391 -3.519 -0.070 1.803 1.00 0.00 H new ATOM 0 HA SER A 391 -5.312 0.294 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.796 1.881 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.560 1.862 4.738 1.00 0.00 H new ATOM 0 HG SER A 391 -1.817 0.341 4.588 1.00 0.00 H new ATOM 570 N PRO A 392 -5.130 3.075 2.012 1.00 0.00 N ATOM 571 CA PRO A 392 -5.862 4.305 1.723 1.00 0.00 C ATOM 572 C PRO A 392 -7.325 4.030 1.416 1.00 0.00 C ATOM 573 O PRO A 392 -8.205 4.819 1.760 1.00 0.00 O ATOM 574 CB PRO A 392 -5.142 4.835 0.484 1.00 0.00 C ATOM 575 CG PRO A 392 -3.767 4.351 0.639 1.00 0.00 C ATOM 576 CD PRO A 392 -3.934 2.962 1.152 1.00 0.00 C ATOM 0 HA PRO A 392 -5.872 5.001 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.596 4.460 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -5.179 5.923 0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.229 4.365 -0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.202 4.969 1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.083 2.247 0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.061 2.630 1.714 1.00 0.00 H new ATOM 584 N CYS A 393 -7.571 2.902 0.761 1.00 0.00 N ATOM 585 CA CYS A 393 -8.921 2.505 0.391 1.00 0.00 C ATOM 586 C CYS A 393 -9.775 2.235 1.627 1.00 0.00 C ATOM 587 O CYS A 393 -9.393 2.577 2.746 1.00 0.00 O ATOM 588 CB CYS A 393 -8.861 1.254 -0.482 1.00 0.00 C ATOM 589 SG CYS A 393 -7.725 1.394 -1.901 1.00 0.00 S ATOM 0 H CYS A 393 -6.847 2.243 0.474 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.381 3.322 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.555 0.408 0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.862 1.033 -0.852 1.00 0.00 H new ATOM 594 N LYS A 394 -10.928 1.610 1.415 1.00 0.00 N ATOM 595 CA LYS A 394 -11.837 1.280 2.506 1.00 0.00 C ATOM 596 C LYS A 394 -12.810 0.193 2.073 1.00 0.00 C ATOM 597 O LYS A 394 -13.572 0.363 1.116 1.00 0.00 O ATOM 598 CB LYS A 394 -12.604 2.523 2.967 1.00 0.00 C ATOM 599 CG LYS A 394 -13.429 2.300 4.225 1.00 0.00 C ATOM 600 CD LYS A 394 -12.550 1.996 5.432 1.00 0.00 C ATOM 601 CE LYS A 394 -11.621 3.157 5.756 1.00 0.00 C ATOM 602 NZ LYS A 394 -10.742 2.860 6.920 1.00 0.00 N ATOM 0 H LYS A 394 -11.256 1.321 0.493 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.246 0.910 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.895 3.331 3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.264 2.851 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.030 3.186 4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.122 1.475 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.179 1.781 6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -11.960 1.101 5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.005 3.383 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.213 4.047 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -10.126 3.676 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -11.328 2.670 7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.158 2.026 6.710 1.00 0.00 H new ATOM 616 N TRP A 395 -12.759 -0.929 2.782 1.00 0.00 N ATOM 617 CA TRP A 395 -13.610 -2.072 2.488 1.00 0.00 C ATOM 618 C TRP A 395 -15.027 -1.859 3.011 1.00 0.00 C ATOM 619 O TRP A 395 -15.236 -1.165 4.007 1.00 0.00 O ATOM 620 CB TRP A 395 -13.016 -3.341 3.104 1.00 0.00 C ATOM 621 CG TRP A 395 -13.665 -4.602 2.621 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.217 -5.587 3.388 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.815 -5.021 1.260 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.707 -6.589 2.588 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.474 -6.265 1.277 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.462 -4.461 0.029 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.782 -6.959 0.110 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.769 -5.150 -1.128 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.423 -6.387 -1.081 1.00 0.00 C ATOM 0 H TRP A 395 -12.130 -1.070 3.572 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.660 -2.182 1.405 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.951 -3.381 2.877 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.109 -3.286 4.189 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.262 -5.579 4.467 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.169 -7.437 2.916 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.958 -3.507 -0.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.286 -7.914 0.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.500 -4.728 -2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.649 -6.901 -2.004 1.00 0.00 H new ATOM 640 N HIS A 396 -15.995 -2.470 2.337 1.00 0.00 N ATOM 641 CA HIS A 396 -17.392 -2.361 2.733 1.00 0.00 C ATOM 642 C HIS A 396 -18.093 -3.707 2.589 1.00 0.00 C ATOM 643 O HIS A 396 -18.216 -4.240 1.484 1.00 0.00 O ATOM 644 CB HIS A 396 -18.106 -1.308 1.886 1.00 0.00 C ATOM 645 CG HIS A 396 -17.548 0.070 2.052 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.556 0.747 3.253 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.956 0.901 1.161 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.996 1.932 3.094 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.622 2.050 1.833 1.00 0.00 N ATOM 0 H HIS A 396 -15.836 -3.047 1.511 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.429 -2.056 3.779 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -18.042 -1.593 0.836 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.164 -1.297 2.149 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.780 0.697 0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.866 2.678 3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.160 2.863 1.425 1.00 0.00 H new ATOM 658 N ASN A 397 -18.543 -4.250 3.717 1.00 0.00 N ATOM 659 CA ASN A 397 -19.228 -5.538 3.737 1.00 0.00 C ATOM 660 C ASN A 397 -20.712 -5.384 3.423 1.00 0.00 C ATOM 661 O ASN A 397 -21.353 -4.425 3.854 1.00 0.00 O ATOM 662 CB ASN A 397 -19.053 -6.211 5.098 1.00 0.00 C ATOM 663 CG ASN A 397 -19.621 -5.379 6.232 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.197 -4.246 6.459 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.586 -5.939 6.951 1.00 0.00 N ATOM 0 H ASN A 397 -18.444 -3.814 4.634 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.780 -6.163 2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.543 -7.185 5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.993 -6.390 5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -21.006 -5.427 7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.907 -6.881 6.728 1.00 0.00 H new ATOM 672 N ASP A 398 -21.248 -6.342 2.673 1.00 0.00 N ATOM 673 CA ASP A 398 -22.658 -6.334 2.296 1.00 0.00 C ATOM 674 C ASP A 398 -23.018 -5.058 1.543 1.00 0.00 C ATOM 675 O ASP A 398 -24.171 -4.623 1.553 1.00 0.00 O ATOM 676 CB ASP A 398 -23.544 -6.483 3.536 1.00 0.00 C ATOM 677 CG ASP A 398 -23.298 -7.787 4.272 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.154 -8.008 4.721 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.249 -8.585 4.400 1.00 0.00 O ATOM 0 H ASP A 398 -20.723 -7.139 2.312 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.833 -7.181 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -23.361 -5.648 4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.591 -6.429 3.239 1.00 0.00 H new ATOM 684 N ALA A 399 -22.029 -4.470 0.878 1.00 0.00 N ATOM 685 CA ALA A 399 -22.246 -3.254 0.106 1.00 0.00 C ATOM 686 C ALA A 399 -22.851 -3.598 -1.251 1.00 0.00 C ATOM 687 O ALA A 399 -23.552 -4.601 -1.386 1.00 0.00 O ATOM 688 CB ALA A 399 -20.932 -2.499 -0.064 1.00 0.00 C ATOM 0 H ALA A 399 -21.070 -4.817 0.859 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.944 -2.611 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.106 -1.592 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.535 -2.234 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.214 -3.131 -0.587 1.00 0.00 H new ATOM 694 N GLU A 400 -22.558 -2.781 -2.257 1.00 0.00 N ATOM 695 CA GLU A 400 -23.054 -3.028 -3.605 1.00 0.00 C ATOM 696 C GLU A 400 -22.200 -4.102 -4.267 1.00 0.00 C ATOM 697 O GLU A 400 -21.477 -3.827 -5.225 1.00 0.00 O ATOM 698 CB GLU A 400 -23.025 -1.740 -4.433 1.00 0.00 C ATOM 699 CG GLU A 400 -23.884 -0.627 -3.854 1.00 0.00 C ATOM 700 CD GLU A 400 -23.835 0.638 -4.689 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.219 0.581 -5.877 1.00 0.00 O ATOM 702 OE2 GLU A 400 -23.413 1.685 -4.156 1.00 0.00 O ATOM 0 H GLU A 400 -21.981 -1.945 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.087 -3.371 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -21.995 -1.391 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.364 -1.961 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.916 -0.970 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -23.549 -0.403 -2.841 1.00 0.00 H new ATOM 709 N ASN A 401 -22.254 -5.315 -3.708 1.00 0.00 N ATOM 710 CA ASN A 401 -21.456 -6.437 -4.193 1.00 0.00 C ATOM 711 C ASN A 401 -20.027 -6.242 -3.725 1.00 0.00 C ATOM 712 O ASN A 401 -19.069 -6.495 -4.457 1.00 0.00 O ATOM 713 CB ASN A 401 -21.515 -6.543 -5.717 1.00 0.00 C ATOM 714 CG ASN A 401 -22.936 -6.636 -6.229 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.580 -7.681 -6.134 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.443 -5.523 -6.741 1.00 0.00 N ATOM 0 H ASN A 401 -22.849 -5.542 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.858 -7.368 -3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.027 -5.674 -6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.956 -7.421 -6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.406 -5.509 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.870 -4.681 -6.799 1.00 0.00 H new ATOM 723 N LYS A 402 -19.917 -5.762 -2.488 1.00 0.00 N ATOM 724 CA LYS A 402 -18.629 -5.481 -1.858 1.00 0.00 C ATOM 725 C LYS A 402 -18.005 -4.234 -2.471 1.00 0.00 C ATOM 726 O LYS A 402 -17.946 -4.100 -3.695 1.00 0.00 O ATOM 727 CB LYS A 402 -17.683 -6.677 -1.997 1.00 0.00 C ATOM 728 CG LYS A 402 -18.192 -7.942 -1.323 1.00 0.00 C ATOM 729 CD LYS A 402 -18.331 -7.754 0.180 1.00 0.00 C ATOM 730 CE LYS A 402 -18.817 -9.024 0.861 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.930 -8.854 2.336 1.00 0.00 N ATOM 0 H LYS A 402 -20.720 -5.557 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.797 -5.303 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.522 -6.880 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.714 -6.414 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.157 -8.219 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.507 -8.765 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.369 -7.460 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.029 -6.942 0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.787 -9.307 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.129 -9.840 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.596 -9.716 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.350 -8.045 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.924 -8.682 2.590 1.00 0.00 H new ATOM 745 N LYS A 403 -17.555 -3.309 -1.623 1.00 0.00 N ATOM 746 CA LYS A 403 -16.960 -2.069 -2.114 1.00 0.00 C ATOM 747 C LYS A 403 -15.644 -1.732 -1.416 1.00 0.00 C ATOM 748 O LYS A 403 -15.494 -1.926 -0.211 1.00 0.00 O ATOM 749 CB LYS A 403 -17.934 -0.900 -1.947 1.00 0.00 C ATOM 750 CG LYS A 403 -19.231 -1.062 -2.727 1.00 0.00 C ATOM 751 CD LYS A 403 -20.054 0.218 -2.717 1.00 0.00 C ATOM 752 CE LYS A 403 -20.433 0.636 -1.304 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.216 1.903 -1.290 1.00 0.00 N ATOM 0 H LYS A 403 -17.591 -3.393 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.747 -2.227 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.170 -0.784 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.442 0.019 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.005 -1.342 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.816 -1.875 -2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.487 1.018 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.958 0.073 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.017 -0.156 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.529 0.761 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.454 2.153 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.650 2.666 -1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.091 1.776 -1.837 1.00 0.00 H new ATOM 767 N CYS A 404 -14.704 -1.197 -2.194 1.00 0.00 N ATOM 768 CA CYS A 404 -13.397 -0.789 -1.682 1.00 0.00 C ATOM 769 C CYS A 404 -13.121 0.657 -2.087 1.00 0.00 C ATOM 770 O CYS A 404 -12.250 0.929 -2.914 1.00 0.00 O ATOM 771 CB CYS A 404 -12.287 -1.699 -2.218 1.00 0.00 C ATOM 772 SG CYS A 404 -10.612 -1.194 -1.704 1.00 0.00 S ATOM 0 H CYS A 404 -14.826 -1.035 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.410 -0.872 -0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.470 -2.718 -1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.335 -1.712 -3.307 1.00 0.00 H new ATOM 777 N THR A 405 -13.889 1.578 -1.513 1.00 0.00 N ATOM 778 CA THR A 405 -13.749 2.999 -1.826 1.00 0.00 C ATOM 779 C THR A 405 -12.623 3.648 -1.030 1.00 0.00 C ATOM 780 O THR A 405 -12.403 3.316 0.133 1.00 0.00 O ATOM 781 CB THR A 405 -15.057 3.767 -1.556 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.414 3.656 -0.174 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.190 3.232 -2.422 1.00 0.00 C ATOM 0 H THR A 405 -14.615 1.367 -0.828 1.00 0.00 H new ATOM 0 HA THR A 405 -13.509 3.055 -2.888 1.00 0.00 H new ATOM 0 HB THR A 405 -14.894 4.815 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.325 3.993 -0.043 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.103 3.790 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.928 3.345 -3.474 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.351 2.177 -2.200 1.00 0.00 H new ATOM 791 N LEU A 406 -11.918 4.581 -1.664 1.00 0.00 N ATOM 792 CA LEU A 406 -10.822 5.282 -1.012 1.00 0.00 C ATOM 793 C LEU A 406 -11.342 6.220 0.069 1.00 0.00 C ATOM 794 O LEU A 406 -12.259 7.007 -0.166 1.00 0.00 O ATOM 795 CB LEU A 406 -10.011 6.085 -2.030 1.00 0.00 C ATOM 796 CG LEU A 406 -8.834 6.862 -1.440 1.00 0.00 C ATOM 797 CD1 LEU A 406 -7.700 5.920 -1.068 1.00 0.00 C ATOM 798 CD2 LEU A 406 -8.351 7.930 -2.404 1.00 0.00 C ATOM 0 H LEU A 406 -12.088 4.867 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.179 4.531 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.633 5.403 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.677 6.787 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 406 -9.178 7.358 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -6.873 6.494 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.052 5.200 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -7.361 5.390 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.513 8.468 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.030 7.462 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -9.163 8.628 -2.610 1.00 0.00 H new ATOM 810 N ASP A 407 -10.741 6.137 1.248 1.00 0.00 N ATOM 811 CA ASP A 407 -11.131 6.989 2.364 1.00 0.00 C ATOM 812 C ASP A 407 -10.281 8.256 2.376 1.00 0.00 C ATOM 813 O ASP A 407 -9.056 8.189 2.299 1.00 0.00 O ATOM 814 CB ASP A 407 -10.984 6.234 3.688 1.00 0.00 C ATOM 815 CG ASP A 407 -11.457 7.050 4.876 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.630 7.476 4.874 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.656 7.256 5.812 1.00 0.00 O ATOM 0 H ASP A 407 -9.982 5.489 1.457 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.177 7.270 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.553 5.306 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.939 5.960 3.832 1.00 0.00 H new ATOM 822 N LYS A 408 -10.936 9.408 2.462 1.00 0.00 N ATOM 823 CA LYS A 408 -10.232 10.686 2.472 1.00 0.00 C ATOM 824 C LYS A 408 -9.333 10.811 3.698 1.00 0.00 C ATOM 825 O LYS A 408 -8.191 11.259 3.600 1.00 0.00 O ATOM 826 CB LYS A 408 -11.231 11.842 2.446 1.00 0.00 C ATOM 827 CG LYS A 408 -12.171 11.808 1.251 1.00 0.00 C ATOM 828 CD LYS A 408 -13.169 12.956 1.288 1.00 0.00 C ATOM 829 CE LYS A 408 -14.093 12.855 2.493 1.00 0.00 C ATOM 830 NZ LYS A 408 -15.065 13.982 2.542 1.00 0.00 N ATOM 0 H LYS A 408 -11.951 9.484 2.526 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.607 10.729 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.821 11.822 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.683 12.784 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.591 11.860 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -12.708 10.859 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.633 13.904 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.761 12.954 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -14.634 11.910 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.499 12.848 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -15.676 13.877 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -14.549 14.883 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -15.649 13.974 1.682 1.00 0.00 H new ATOM 844 N GLU A 409 -9.862 10.425 4.851 1.00 0.00 N ATOM 845 CA GLU A 409 -9.120 10.503 6.104 1.00 0.00 C ATOM 846 C GLU A 409 -7.897 9.589 6.094 1.00 0.00 C ATOM 847 O GLU A 409 -6.810 9.987 6.512 1.00 0.00 O ATOM 848 CB GLU A 409 -10.029 10.136 7.277 1.00 0.00 C ATOM 849 CG GLU A 409 -11.259 11.021 7.395 1.00 0.00 C ATOM 850 CD GLU A 409 -12.154 10.630 8.555 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.815 9.661 9.268 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.196 11.291 8.750 1.00 0.00 O ATOM 0 H GLU A 409 -10.807 10.053 4.946 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.772 11.530 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.347 9.099 7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.457 10.199 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.945 12.058 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.830 10.968 6.468 1.00 0.00 H new ATOM 859 N GLU A 410 -8.081 8.361 5.631 1.00 0.00 N ATOM 860 CA GLU A 410 -6.991 7.391 5.589 1.00 0.00 C ATOM 861 C GLU A 410 -5.932 7.779 4.560 1.00 0.00 C ATOM 862 O GLU A 410 -4.738 7.790 4.861 1.00 0.00 O ATOM 863 CB GLU A 410 -7.534 5.995 5.275 1.00 0.00 C ATOM 864 CG GLU A 410 -6.471 4.907 5.292 1.00 0.00 C ATOM 865 CD GLU A 410 -5.822 4.735 6.654 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.181 5.693 7.135 1.00 0.00 O ATOM 867 OE2 GLU A 410 -5.958 3.641 7.241 1.00 0.00 O ATOM 0 H GLU A 410 -8.972 8.011 5.279 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.520 7.383 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.309 5.745 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.009 6.012 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.921 3.962 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.703 5.146 4.557 1.00 0.00 H new ATOM 874 N ALA A 411 -6.373 8.083 3.345 1.00 0.00 N ATOM 875 CA ALA A 411 -5.461 8.457 2.269 1.00 0.00 C ATOM 876 C ALA A 411 -4.651 9.701 2.618 1.00 0.00 C ATOM 877 O ALA A 411 -3.458 9.775 2.320 1.00 0.00 O ATOM 878 CB ALA A 411 -6.233 8.679 0.980 1.00 0.00 C ATOM 0 H ALA A 411 -7.358 8.078 3.079 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.759 7.634 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.541 8.958 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.752 7.761 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.960 9.478 1.124 1.00 0.00 H new ATOM 884 N LYS A 412 -5.301 10.684 3.231 1.00 0.00 N ATOM 885 CA LYS A 412 -4.629 11.926 3.594 1.00 0.00 C ATOM 886 C LYS A 412 -3.535 11.678 4.632 1.00 0.00 C ATOM 887 O LYS A 412 -2.451 12.254 4.551 1.00 0.00 O ATOM 888 CB LYS A 412 -5.642 12.955 4.114 1.00 0.00 C ATOM 889 CG LYS A 412 -6.075 12.738 5.556 1.00 0.00 C ATOM 890 CD LYS A 412 -7.151 13.729 5.966 1.00 0.00 C ATOM 891 CE LYS A 412 -7.343 13.759 7.474 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.731 12.428 8.015 1.00 0.00 N ATOM 0 H LYS A 412 -6.288 10.646 3.486 1.00 0.00 H new ATOM 0 HA LYS A 412 -4.157 12.327 2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.209 13.951 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -6.525 12.932 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.449 11.721 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.213 12.840 6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.882 14.725 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -8.092 13.464 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.419 14.088 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.110 14.491 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -7.479 12.376 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -8.757 12.295 7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.228 11.681 7.494 1.00 0.00 H new