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= -2.48! X(o=-2.1!,f=-2.4) USER MOD Set 1.2: A 405 THR OG1 : rot -99:sc= 0.387 USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.66 F(o=-6.1!,f=-1.7) USER MOD Single : A 383 LYS NZ :NH3+ 165:sc= -0.0435 (180deg=-0.275) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc=-0.00812 X(o=-0.0081,f=-0.0081) USER MOD Single : A 390 LYS NZ :NH3+ -169:sc= 1.21 (180deg=0.971) 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=-0.00329 X(o=-0.0033,f=-0.0033) USER MOD Single : A 401 ASN :FLIP amide:sc= -2 F(o=-2.6,f=-2) USER MOD Single : A 402 LYS NZ :NH3+ 168:sc=-0.00441 (180deg=-0.196) USER MOD Single : A 403 LYS NZ :NH3+ -166:sc= -0.0343 (180deg=-0.246) USER MOD Single : A 408 LYS NZ :NH3+ 166:sc= -0.0176 (180deg=-0.266) USER MOD Single : A 412 LYS NZ :NH3+ 159:sc= -0.148 (180deg=-0.555) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.297 6.680 -3.516 1.00 0.00 N ATOM 340 CA GLU A 376 -4.023 6.163 -4.674 1.00 0.00 C ATOM 341 C GLU A 376 -5.112 7.136 -5.125 1.00 0.00 C ATOM 342 O GLU A 376 -5.016 8.345 -4.920 1.00 0.00 O ATOM 343 CB GLU A 376 -4.669 4.821 -4.323 1.00 0.00 C ATOM 344 CG GLU A 376 -3.762 3.887 -3.541 1.00 0.00 C ATOM 345 CD GLU A 376 -2.491 3.552 -4.288 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.584 3.010 -5.408 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.401 3.832 -3.751 1.00 0.00 O ATOM 0 HA GLU A 376 -3.309 6.036 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.573 5.005 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.977 4.326 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.508 4.348 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.301 2.966 -3.317 1.00 0.00 H new ATOM 354 N THR A 377 -6.158 6.592 -5.736 1.00 0.00 N ATOM 355 CA THR A 377 -7.271 7.397 -6.217 1.00 0.00 C ATOM 356 C THR A 377 -8.566 6.605 -6.156 1.00 0.00 C ATOM 357 O THR A 377 -8.558 5.381 -6.282 1.00 0.00 O ATOM 358 CB THR A 377 -7.035 7.877 -7.662 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.892 6.751 -8.536 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.791 8.749 -7.744 1.00 0.00 C ATOM 0 H THR A 377 -6.257 5.592 -5.910 1.00 0.00 H new ATOM 0 HA THR A 377 -7.346 8.270 -5.568 1.00 0.00 H new ATOM 0 HB THR A 377 -7.897 8.468 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.744 7.065 -9.452 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.644 9.077 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.914 9.620 -7.100 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.923 8.176 -7.418 1.00 0.00 H new ATOM 368 N GLU A 378 -9.675 7.307 -5.945 1.00 0.00 N ATOM 369 CA GLU A 378 -10.980 6.665 -5.851 1.00 0.00 C ATOM 370 C GLU A 378 -11.165 5.660 -6.977 1.00 0.00 C ATOM 371 O GLU A 378 -11.677 4.562 -6.767 1.00 0.00 O ATOM 372 CB GLU A 378 -12.093 7.713 -5.893 1.00 0.00 C ATOM 373 CG GLU A 378 -13.486 7.134 -5.707 1.00 0.00 C ATOM 374 CD GLU A 378 -14.569 8.196 -5.721 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.233 9.386 -5.894 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.754 7.836 -5.561 1.00 0.00 O ATOM 0 H GLU A 378 -9.695 8.321 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.033 6.134 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.911 8.455 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.051 8.236 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.683 6.410 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.526 6.592 -4.762 1.00 0.00 H new ATOM 383 N GLY A 379 -10.735 6.045 -8.169 1.00 0.00 N ATOM 384 CA GLY A 379 -10.851 5.170 -9.317 1.00 0.00 C ATOM 385 C GLY A 379 -10.058 3.890 -9.157 1.00 0.00 C ATOM 386 O GLY A 379 -10.537 2.812 -9.503 1.00 0.00 O ATOM 0 H GLY A 379 -10.307 6.950 -8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.901 4.925 -9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.507 5.697 -10.207 1.00 0.00 H new ATOM 390 N SER A 380 -8.843 4.010 -8.634 1.00 0.00 N ATOM 391 CA SER A 380 -7.982 2.851 -8.435 1.00 0.00 C ATOM 392 C SER A 380 -8.585 1.870 -7.432 1.00 0.00 C ATOM 393 O SER A 380 -8.673 0.671 -7.698 1.00 0.00 O ATOM 394 CB SER A 380 -6.604 3.297 -7.963 1.00 0.00 C ATOM 395 OG SER A 380 -5.752 2.186 -7.743 1.00 0.00 O ATOM 0 H SER A 380 -8.433 4.897 -8.341 1.00 0.00 H new ATOM 0 HA SER A 380 -7.889 2.337 -9.392 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.159 3.958 -8.706 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.701 3.872 -7.042 1.00 0.00 H new ATOM 0 HG SER A 380 -4.874 2.501 -7.442 1.00 0.00 H new ATOM 401 N CYS A 381 -8.991 2.388 -6.276 1.00 0.00 N ATOM 402 CA CYS A 381 -9.578 1.562 -5.222 1.00 0.00 C ATOM 403 C CYS A 381 -10.793 0.788 -5.721 1.00 0.00 C ATOM 404 O CYS A 381 -10.925 -0.408 -5.459 1.00 0.00 O ATOM 405 CB CYS A 381 -9.975 2.431 -4.029 1.00 0.00 C ATOM 406 SG CYS A 381 -8.579 3.292 -3.240 1.00 0.00 S ATOM 0 H CYS A 381 -8.924 3.379 -6.044 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.822 0.840 -4.913 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.705 3.171 -4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.469 1.805 -3.286 1.00 0.00 H new ATOM 411 N ASN A 382 -11.681 1.475 -6.435 1.00 0.00 N ATOM 412 CA ASN A 382 -12.890 0.846 -6.962 1.00 0.00 C ATOM 413 C ASN A 382 -12.544 -0.408 -7.750 1.00 0.00 C ATOM 414 O ASN A 382 -13.278 -1.396 -7.720 1.00 0.00 O ATOM 415 CB ASN A 382 -13.655 1.822 -7.858 1.00 0.00 C ATOM 416 CG ASN A 382 -14.082 3.081 -7.128 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.744 3.176 -5.847 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.712 3.963 -7.711 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.587 2.465 -6.662 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.521 0.569 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.029 2.095 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.537 1.324 -8.260 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.952 3.852 -8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.994 4.805 -7.209 1.00 0.00 H new ATOM 425 N LYS A 383 -11.422 -0.358 -8.453 1.00 0.00 N ATOM 426 CA LYS A 383 -10.971 -1.486 -9.250 1.00 0.00 C ATOM 427 C LYS A 383 -10.461 -2.607 -8.353 1.00 0.00 C ATOM 428 O LYS A 383 -10.697 -3.786 -8.619 1.00 0.00 O ATOM 429 CB LYS A 383 -9.872 -1.040 -10.215 1.00 0.00 C ATOM 430 CG LYS A 383 -10.236 0.200 -11.016 1.00 0.00 C ATOM 431 CD LYS A 383 -11.506 -0.004 -11.826 1.00 0.00 C ATOM 432 CE LYS A 383 -11.851 1.230 -12.644 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.772 1.576 -13.612 1.00 0.00 N ATOM 0 H LYS A 383 -10.807 0.455 -8.487 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.816 -1.864 -9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.961 -0.844 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.651 -1.856 -10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.368 1.044 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.415 0.454 -11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.381 -0.859 -12.491 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.332 -0.240 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.782 1.058 -13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.022 2.073 -11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.139 2.250 -14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.974 2.006 -13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.450 0.713 -14.095 1.00 0.00 H new ATOM 447 N LYS A 384 -9.747 -2.230 -7.295 1.00 0.00 N ATOM 448 CA LYS A 384 -9.188 -3.184 -6.369 1.00 0.00 C ATOM 449 C LYS A 384 -10.240 -4.073 -5.747 1.00 0.00 C ATOM 450 O LYS A 384 -11.384 -3.674 -5.532 1.00 0.00 O ATOM 451 CB LYS A 384 -8.430 -2.452 -5.278 1.00 0.00 C ATOM 452 CG LYS A 384 -7.387 -1.517 -5.834 1.00 0.00 C ATOM 453 CD LYS A 384 -6.374 -2.255 -6.686 1.00 0.00 C ATOM 454 CE LYS A 384 -6.742 -2.219 -8.162 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.661 -2.779 -9.020 1.00 0.00 N ATOM 0 H LYS A 384 -9.546 -1.257 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.513 -3.827 -6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.133 -1.886 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.951 -3.178 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.871 -0.744 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.875 -1.013 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.389 -1.810 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.306 -3.291 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.660 -2.784 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.945 -1.190 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.952 -2.736 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.791 -2.224 -8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.484 -3.769 -8.754 1.00 0.00 H new ATOM 469 N ASP A 385 -9.808 -5.275 -5.445 1.00 0.00 N ATOM 470 CA ASP A 385 -10.661 -6.272 -4.812 1.00 0.00 C ATOM 471 C ASP A 385 -10.477 -6.218 -3.302 1.00 0.00 C ATOM 472 O ASP A 385 -9.811 -5.321 -2.795 1.00 0.00 O ATOM 473 CB ASP A 385 -10.334 -7.671 -5.338 1.00 0.00 C ATOM 474 CG ASP A 385 -10.628 -7.814 -6.819 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.052 -7.046 -7.617 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.436 -8.695 -7.181 1.00 0.00 O ATOM 0 H ASP A 385 -8.857 -5.596 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.701 -6.052 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.281 -7.888 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.912 -8.410 -4.782 1.00 0.00 H new ATOM 481 N GLN A 386 -11.058 -7.174 -2.586 1.00 0.00 N ATOM 482 CA GLN A 386 -10.934 -7.204 -1.132 1.00 0.00 C ATOM 483 C GLN A 386 -9.467 -7.139 -0.716 1.00 0.00 C ATOM 484 O GLN A 386 -9.061 -6.251 0.034 1.00 0.00 O ATOM 485 CB GLN A 386 -11.581 -8.470 -0.566 1.00 0.00 C ATOM 486 CG GLN A 386 -11.504 -8.569 0.950 1.00 0.00 C ATOM 487 CD GLN A 386 -12.085 -9.863 1.483 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.261 -10.163 1.274 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.261 -10.640 2.177 1.00 0.00 N ATOM 0 H GLN A 386 -11.614 -7.932 -2.983 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.451 -6.333 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.627 -8.501 -0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.096 -9.342 -1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.463 -8.487 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.037 -7.727 1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.294 -10.353 2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -11.595 -11.524 2.561 1.00 0.00 H new ATOM 498 N ASN A 387 -8.680 -8.082 -1.216 1.00 0.00 N ATOM 499 CA ASN A 387 -7.257 -8.144 -0.908 1.00 0.00 C ATOM 500 C ASN A 387 -6.506 -6.946 -1.487 1.00 0.00 C ATOM 501 O ASN A 387 -5.455 -6.560 -0.976 1.00 0.00 O ATOM 502 CB ASN A 387 -6.660 -9.445 -1.447 1.00 0.00 C ATOM 503 CG ASN A 387 -5.184 -9.581 -1.140 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.767 -9.496 0.015 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.386 -9.803 -2.174 1.00 0.00 N ATOM 0 H ASN A 387 -9.006 -8.819 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.148 -8.116 0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.196 -10.291 -1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.808 -9.488 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.382 -9.911 -2.029 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.776 -9.866 -3.115 1.00 0.00 H new ATOM 512 N GLU A 388 -7.038 -6.372 -2.563 1.00 0.00 N ATOM 513 CA GLU A 388 -6.399 -5.231 -3.212 1.00 0.00 C ATOM 514 C GLU A 388 -6.831 -3.905 -2.598 1.00 0.00 C ATOM 515 O GLU A 388 -6.189 -2.879 -2.824 1.00 0.00 O ATOM 516 CB GLU A 388 -6.689 -5.238 -4.712 1.00 0.00 C ATOM 517 CG GLU A 388 -6.127 -6.452 -5.434 1.00 0.00 C ATOM 518 CD GLU A 388 -6.377 -6.411 -6.928 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.556 -6.346 -7.331 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.392 -6.441 -7.694 1.00 0.00 O ATOM 0 H GLU A 388 -7.907 -6.677 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.325 -5.330 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.768 -5.201 -4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.273 -4.335 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.054 -6.514 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.574 -7.355 -5.019 1.00 0.00 H new ATOM 527 N CYS A 389 -7.913 -3.918 -1.821 1.00 0.00 N ATOM 528 CA CYS A 389 -8.392 -2.696 -1.189 1.00 0.00 C ATOM 529 C CYS A 389 -7.284 -2.126 -0.314 1.00 0.00 C ATOM 530 O CYS A 389 -7.039 -2.605 0.794 1.00 0.00 O ATOM 531 CB CYS A 389 -9.650 -2.974 -0.361 1.00 0.00 C ATOM 532 SG CYS A 389 -10.600 -1.481 0.077 1.00 0.00 S ATOM 0 H CYS A 389 -8.466 -4.750 -1.617 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.657 -1.969 -1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.296 -3.652 -0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.362 -3.490 0.555 1.00 0.00 H new ATOM 537 N LYS A 390 -6.590 -1.126 -0.844 1.00 0.00 N ATOM 538 CA LYS A 390 -5.470 -0.509 -0.144 1.00 0.00 C ATOM 539 C LYS A 390 -5.916 0.313 1.060 1.00 0.00 C ATOM 540 O LYS A 390 -7.084 0.684 1.179 1.00 0.00 O ATOM 541 CB LYS A 390 -4.665 0.352 -1.109 1.00 0.00 C ATOM 542 CG LYS A 390 -4.071 -0.445 -2.262 1.00 0.00 C ATOM 543 CD LYS A 390 -3.190 0.422 -3.146 1.00 0.00 C ATOM 544 CE LYS A 390 -2.542 -0.394 -4.252 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.625 0.430 -5.086 1.00 0.00 N ATOM 0 H LYS A 390 -6.785 -0.724 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.841 -1.313 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.307 1.137 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.861 0.845 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.486 -1.276 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.875 -0.876 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.786 1.222 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.417 0.895 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.987 -1.223 -3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.317 -0.828 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.349 -0.107 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.109 1.305 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.775 0.669 -4.536 1.00 0.00 H new ATOM 559 N SER A 391 -4.969 0.572 1.960 1.00 0.00 N ATOM 560 CA SER A 391 -5.233 1.326 3.175 1.00 0.00 C ATOM 561 C SER A 391 -5.888 2.676 2.877 1.00 0.00 C ATOM 562 O SER A 391 -6.937 2.985 3.443 1.00 0.00 O ATOM 563 CB SER A 391 -3.935 1.523 3.953 1.00 0.00 C ATOM 564 OG SER A 391 -3.364 0.279 4.319 1.00 0.00 O ATOM 0 H SER A 391 -4.001 0.264 1.864 1.00 0.00 H new ATOM 0 HA SER A 391 -5.935 0.753 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.226 2.087 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 391 -4.130 2.114 4.848 1.00 0.00 H new ATOM 0 HG SER A 391 -2.533 0.434 4.815 1.00 0.00 H new ATOM 570 N PRO A 392 -5.296 3.508 1.987 1.00 0.00 N ATOM 571 CA PRO A 392 -5.870 4.800 1.656 1.00 0.00 C ATOM 572 C PRO A 392 -7.347 4.668 1.320 1.00 0.00 C ATOM 573 O PRO A 392 -8.152 5.551 1.619 1.00 0.00 O ATOM 574 CB PRO A 392 -5.097 5.266 0.425 1.00 0.00 C ATOM 575 CG PRO A 392 -3.926 4.369 0.263 1.00 0.00 C ATOM 576 CD PRO A 392 -4.045 3.250 1.254 1.00 0.00 C ATOM 0 HA PRO A 392 -5.797 5.499 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.731 5.231 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.773 6.300 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.889 3.974 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.000 4.921 0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.076 2.283 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.190 3.231 1.930 1.00 0.00 H new ATOM 584 N CYS A 393 -7.688 3.548 0.692 1.00 0.00 N ATOM 585 CA CYS A 393 -9.059 3.265 0.301 1.00 0.00 C ATOM 586 C CYS A 393 -9.949 3.089 1.528 1.00 0.00 C ATOM 587 O CYS A 393 -9.647 3.583 2.614 1.00 0.00 O ATOM 588 CB CYS A 393 -9.100 1.990 -0.548 1.00 0.00 C ATOM 589 SG CYS A 393 -7.878 1.944 -1.900 1.00 0.00 S ATOM 0 H CYS A 393 -7.024 2.816 0.442 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.432 4.108 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.937 1.130 0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.098 1.883 -0.973 1.00 0.00 H new ATOM 594 N LYS A 394 -11.041 2.362 1.340 1.00 0.00 N ATOM 595 CA LYS A 394 -11.987 2.086 2.412 1.00 0.00 C ATOM 596 C LYS A 394 -12.859 0.901 2.032 1.00 0.00 C ATOM 597 O LYS A 394 -13.689 0.986 1.126 1.00 0.00 O ATOM 598 CB LYS A 394 -12.846 3.319 2.707 1.00 0.00 C ATOM 599 CG LYS A 394 -13.839 3.115 3.842 1.00 0.00 C ATOM 600 CD LYS A 394 -14.525 4.417 4.233 1.00 0.00 C ATOM 601 CE LYS A 394 -15.313 5.013 3.076 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.010 6.268 3.469 1.00 0.00 N ATOM 0 H LYS A 394 -11.296 1.948 0.443 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.433 1.841 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.192 4.156 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.391 3.596 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.590 2.384 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.322 2.702 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.195 4.236 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.777 5.134 4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.639 5.217 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -16.045 4.287 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.536 6.643 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.672 6.069 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.310 6.970 3.782 1.00 0.00 H new ATOM 616 N TRP A 395 -12.642 -0.213 2.719 1.00 0.00 N ATOM 617 CA TRP A 395 -13.380 -1.437 2.449 1.00 0.00 C ATOM 618 C TRP A 395 -14.835 -1.327 2.892 1.00 0.00 C ATOM 619 O TRP A 395 -15.131 -0.809 3.969 1.00 0.00 O ATOM 620 CB TRP A 395 -12.706 -2.620 3.146 1.00 0.00 C ATOM 621 CG TRP A 395 -13.292 -3.948 2.772 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.736 -4.915 3.627 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.484 -4.463 1.448 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.196 -5.997 2.918 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.053 -5.744 1.579 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.235 -3.965 0.164 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.373 -6.534 0.479 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.555 -4.750 -0.927 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.119 -6.021 -0.764 1.00 0.00 C ATOM 0 H TRP A 395 -11.957 -0.293 3.471 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.373 -1.599 1.371 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.644 -2.619 2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.784 -2.488 4.225 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.727 -4.840 4.704 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.582 -6.850 3.322 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.801 -2.985 0.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.806 -7.516 0.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.367 -4.377 -1.923 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.359 -6.609 -1.638 1.00 0.00 H new ATOM 640 N HIS A 396 -15.738 -1.833 2.057 1.00 0.00 N ATOM 641 CA HIS A 396 -17.164 -1.812 2.359 1.00 0.00 C ATOM 642 C HIS A 396 -17.708 -3.230 2.457 1.00 0.00 C ATOM 643 O HIS A 396 -17.782 -3.950 1.456 1.00 0.00 O ATOM 644 CB HIS A 396 -17.933 -1.037 1.287 1.00 0.00 C ATOM 645 CG HIS A 396 -17.594 0.420 1.240 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.783 1.271 2.309 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.079 1.179 0.244 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.402 2.489 1.972 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.969 2.459 0.725 1.00 0.00 N ATOM 0 H HIS A 396 -15.505 -2.264 1.162 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.298 -1.312 3.318 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.728 -1.481 0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.002 -1.147 1.468 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.159 1.001 3.218 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.806 0.840 -0.744 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.438 3.361 2.608 1.00 0.00 H new ATOM 658 N ASN A 397 -18.083 -3.623 3.671 1.00 0.00 N ATOM 659 CA ASN A 397 -18.618 -4.954 3.918 1.00 0.00 C ATOM 660 C ASN A 397 -20.113 -5.011 3.622 1.00 0.00 C ATOM 661 O ASN A 397 -20.852 -4.073 3.924 1.00 0.00 O ATOM 662 CB ASN A 397 -18.360 -5.369 5.367 1.00 0.00 C ATOM 663 CG ASN A 397 -18.911 -6.747 5.680 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.524 -7.738 5.062 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.821 -6.817 6.645 1.00 0.00 N ATOM 0 H ASN A 397 -18.025 -3.034 4.501 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.109 -5.648 3.249 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.287 -5.357 5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.813 -4.639 6.038 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.227 -7.718 6.899 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.114 -5.970 7.132 1.00 0.00 H new ATOM 672 N ASP A 398 -20.547 -6.122 3.035 1.00 0.00 N ATOM 673 CA ASP A 398 -21.952 -6.320 2.699 1.00 0.00 C ATOM 674 C ASP A 398 -22.453 -5.219 1.765 1.00 0.00 C ATOM 675 O ASP A 398 -23.595 -4.768 1.871 1.00 0.00 O ATOM 676 CB ASP A 398 -22.799 -6.364 3.975 1.00 0.00 C ATOM 677 CG ASP A 398 -24.249 -6.715 3.705 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.503 -7.814 3.168 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.130 -5.892 4.030 1.00 0.00 O ATOM 0 H ASP A 398 -19.942 -6.903 2.781 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.047 -7.273 2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.375 -7.096 4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.751 -5.395 4.471 1.00 0.00 H new ATOM 684 N ALA A 399 -21.594 -4.797 0.843 1.00 0.00 N ATOM 685 CA ALA A 399 -21.951 -3.760 -0.118 1.00 0.00 C ATOM 686 C ALA A 399 -22.712 -4.357 -1.296 1.00 0.00 C ATOM 687 O ALA A 399 -22.594 -3.884 -2.428 1.00 0.00 O ATOM 688 CB ALA A 399 -20.703 -3.048 -0.606 1.00 0.00 C ATOM 0 H ALA A 399 -20.645 -5.157 0.741 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.599 -3.037 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.982 -2.276 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.191 -2.590 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.039 -3.766 -1.086 1.00 0.00 H new ATOM 694 N GLU A 400 -23.474 -5.411 -1.012 1.00 0.00 N ATOM 695 CA GLU A 400 -24.258 -6.122 -2.015 1.00 0.00 C ATOM 696 C GLU A 400 -23.352 -6.990 -2.880 1.00 0.00 C ATOM 697 O GLU A 400 -23.773 -8.025 -3.394 1.00 0.00 O ATOM 698 CB GLU A 400 -25.051 -5.149 -2.888 1.00 0.00 C ATOM 699 CG GLU A 400 -25.970 -5.842 -3.875 1.00 0.00 C ATOM 700 CD GLU A 400 -26.739 -4.869 -4.747 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.568 -3.644 -4.564 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.513 -5.330 -5.612 1.00 0.00 O ATOM 0 H GLU A 400 -23.564 -5.797 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.968 -6.764 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.644 -4.496 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.355 -4.512 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.381 -6.504 -4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.675 -6.469 -3.329 1.00 0.00 H new ATOM 709 N ASN A 401 -22.106 -6.552 -3.029 1.00 0.00 N ATOM 710 CA ASN A 401 -21.119 -7.266 -3.825 1.00 0.00 C ATOM 711 C ASN A 401 -19.714 -6.838 -3.422 1.00 0.00 C ATOM 712 O ASN A 401 -18.766 -6.977 -4.196 1.00 0.00 O ATOM 713 CB ASN A 401 -21.340 -6.955 -5.302 1.00 0.00 C ATOM 714 CG ASN A 401 -22.629 -7.537 -5.839 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.589 -6.665 -6.116 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -22.768 -8.750 -5.984 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.755 -5.695 -2.602 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.228 -8.337 -3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.348 -5.874 -5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.502 -7.346 -5.880 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.000 -9.382 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.651 -9.124 -6.331 1.00 0.00 H new ATOM 723 N LYS A 402 -19.598 -6.305 -2.207 1.00 0.00 N ATOM 724 CA LYS A 402 -18.317 -5.832 -1.681 1.00 0.00 C ATOM 725 C LYS A 402 -17.809 -4.652 -2.507 1.00 0.00 C ATOM 726 O LYS A 402 -17.791 -4.708 -3.736 1.00 0.00 O ATOM 727 CB LYS A 402 -17.276 -6.959 -1.674 1.00 0.00 C ATOM 728 CG LYS A 402 -17.552 -8.061 -0.658 1.00 0.00 C ATOM 729 CD LYS A 402 -18.819 -8.837 -0.984 1.00 0.00 C ATOM 730 CE LYS A 402 -19.046 -9.973 0.000 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.172 -9.481 1.400 1.00 0.00 N ATOM 0 H LYS A 402 -20.381 -6.189 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.473 -5.505 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.230 -7.401 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.295 -6.530 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.705 -8.747 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.642 -7.623 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.675 -8.162 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.751 -9.238 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.950 -10.517 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.218 -10.679 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.524 -10.248 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.241 -9.168 1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.838 -8.683 1.429 1.00 0.00 H new ATOM 745 N LYS A 403 -17.416 -3.572 -1.833 1.00 0.00 N ATOM 746 CA LYS A 403 -16.937 -2.384 -2.536 1.00 0.00 C ATOM 747 C LYS A 403 -15.758 -1.723 -1.827 1.00 0.00 C ATOM 748 O LYS A 403 -15.677 -1.716 -0.601 1.00 0.00 O ATOM 749 CB LYS A 403 -18.076 -1.375 -2.683 1.00 0.00 C ATOM 750 CG LYS A 403 -19.233 -1.881 -3.529 1.00 0.00 C ATOM 751 CD LYS A 403 -18.842 -2.032 -4.992 1.00 0.00 C ATOM 752 CE LYS A 403 -18.473 -0.695 -5.616 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.608 0.267 -5.573 1.00 0.00 N ATOM 0 H LYS A 403 -17.419 -3.495 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.590 -2.708 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.448 -1.114 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.684 -0.460 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.572 -2.842 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.072 -1.190 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.998 -2.717 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.669 -2.476 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.618 -0.272 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.166 -0.849 -6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.408 1.068 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.479 -0.210 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.731 0.616 -4.601 1.00 0.00 H new ATOM 767 N CYS A 404 -14.856 -1.152 -2.621 1.00 0.00 N ATOM 768 CA CYS A 404 -13.680 -0.462 -2.097 1.00 0.00 C ATOM 769 C CYS A 404 -13.565 0.918 -2.743 1.00 0.00 C ATOM 770 O CYS A 404 -13.693 1.050 -3.960 1.00 0.00 O ATOM 771 CB CYS A 404 -12.413 -1.281 -2.370 1.00 0.00 C ATOM 772 SG CYS A 404 -10.884 -0.540 -1.707 1.00 0.00 S ATOM 0 H CYS A 404 -14.918 -1.154 -3.639 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.789 -0.346 -1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.537 -2.275 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.303 -1.411 -3.447 1.00 0.00 H new ATOM 777 N THR A 405 -13.340 1.945 -1.928 1.00 0.00 N ATOM 778 CA THR A 405 -13.233 3.310 -2.439 1.00 0.00 C ATOM 779 C THR A 405 -12.156 4.106 -1.712 1.00 0.00 C ATOM 780 O THR A 405 -11.977 3.971 -0.502 1.00 0.00 O ATOM 781 CB THR A 405 -14.571 4.060 -2.314 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.974 4.118 -0.940 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.655 3.381 -3.135 1.00 0.00 C ATOM 0 H THR A 405 -13.229 1.860 -0.918 1.00 0.00 H new ATOM 0 HA THR A 405 -12.960 3.222 -3.491 1.00 0.00 H new ATOM 0 HB THR A 405 -14.430 5.071 -2.696 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.641 3.421 -0.765 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.590 3.931 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.360 3.365 -4.184 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.793 2.359 -2.781 1.00 0.00 H new ATOM 791 N LEU A 406 -11.442 4.938 -2.467 1.00 0.00 N ATOM 792 CA LEU A 406 -10.378 5.764 -1.913 1.00 0.00 C ATOM 793 C LEU A 406 -10.941 6.834 -0.990 1.00 0.00 C ATOM 794 O LEU A 406 -11.988 7.423 -1.260 1.00 0.00 O ATOM 795 CB LEU A 406 -9.563 6.406 -3.036 1.00 0.00 C ATOM 796 CG LEU A 406 -8.245 7.067 -2.617 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.491 8.410 -1.953 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.458 6.147 -1.695 1.00 0.00 C ATOM 0 H LEU A 406 -11.584 5.056 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.722 5.121 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.342 5.641 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.184 7.157 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.655 7.244 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.538 8.854 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.005 9.072 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.107 8.269 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.525 6.632 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.047 5.935 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.237 5.214 -2.214 1.00 0.00 H new ATOM 810 N ASP A 407 -10.226 7.079 0.096 1.00 0.00 N ATOM 811 CA ASP A 407 -10.624 8.082 1.074 1.00 0.00 C ATOM 812 C ASP A 407 -9.506 9.104 1.272 1.00 0.00 C ATOM 813 O ASP A 407 -8.354 8.738 1.494 1.00 0.00 O ATOM 814 CB ASP A 407 -10.971 7.408 2.405 1.00 0.00 C ATOM 815 CG ASP A 407 -11.439 8.392 3.463 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.541 9.599 3.154 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.709 7.954 4.601 1.00 0.00 O ATOM 0 H ASP A 407 -9.359 6.593 0.325 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.507 8.603 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.751 6.665 2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.096 6.874 2.775 1.00 0.00 H new ATOM 822 N LYS A 408 -9.855 10.384 1.181 1.00 0.00 N ATOM 823 CA LYS A 408 -8.879 11.458 1.340 1.00 0.00 C ATOM 824 C LYS A 408 -8.327 11.501 2.762 1.00 0.00 C ATOM 825 O LYS A 408 -7.118 11.607 2.966 1.00 0.00 O ATOM 826 CB LYS A 408 -9.517 12.806 0.993 1.00 0.00 C ATOM 827 CG LYS A 408 -10.116 12.863 -0.405 1.00 0.00 C ATOM 828 CD LYS A 408 -9.058 12.666 -1.480 1.00 0.00 C ATOM 829 CE LYS A 408 -9.665 12.719 -2.873 1.00 0.00 C ATOM 830 NZ LYS A 408 -10.317 14.030 -3.144 1.00 0.00 N ATOM 0 H LYS A 408 -10.806 10.703 0.998 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.052 11.260 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.298 13.026 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.764 13.588 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.882 12.094 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.608 13.825 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.293 13.437 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -8.563 11.706 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -8.887 12.540 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.398 11.920 -2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -10.507 14.119 -4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.213 14.087 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -9.688 14.800 -2.840 1.00 0.00 H new ATOM 844 N GLU A 409 -9.223 11.428 3.740 1.00 0.00 N ATOM 845 CA GLU A 409 -8.837 11.469 5.146 1.00 0.00 C ATOM 846 C GLU A 409 -7.943 10.286 5.515 1.00 0.00 C ATOM 847 O GLU A 409 -6.971 10.435 6.258 1.00 0.00 O ATOM 848 CB GLU A 409 -10.087 11.475 6.027 1.00 0.00 C ATOM 849 CG GLU A 409 -9.784 11.527 7.514 1.00 0.00 C ATOM 850 CD GLU A 409 -11.038 11.508 8.367 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.871 12.427 8.220 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.184 10.575 9.185 1.00 0.00 O ATOM 0 H GLU A 409 -10.227 11.340 3.584 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.268 12.383 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.705 12.333 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.674 10.581 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.154 10.679 7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.214 12.430 7.733 1.00 0.00 H new ATOM 859 N GLU A 410 -8.282 9.112 5.004 1.00 0.00 N ATOM 860 CA GLU A 410 -7.514 7.905 5.292 1.00 0.00 C ATOM 861 C GLU A 410 -6.172 7.915 4.564 1.00 0.00 C ATOM 862 O GLU A 410 -5.143 7.560 5.138 1.00 0.00 O ATOM 863 CB GLU A 410 -8.312 6.660 4.899 1.00 0.00 C ATOM 864 CG GLU A 410 -7.628 5.353 5.267 1.00 0.00 C ATOM 865 CD GLU A 410 -7.476 5.169 6.766 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.781 5.990 7.400 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.054 4.202 7.305 1.00 0.00 O ATOM 0 H GLU A 410 -9.082 8.967 4.388 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.320 7.882 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.288 6.698 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.488 6.677 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.202 4.521 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.644 5.320 4.800 1.00 0.00 H new ATOM 874 N ALA A 411 -6.192 8.321 3.299 1.00 0.00 N ATOM 875 CA ALA A 411 -4.979 8.372 2.488 1.00 0.00 C ATOM 876 C ALA A 411 -3.954 9.333 3.072 1.00 0.00 C ATOM 877 O ALA A 411 -2.767 9.020 3.133 1.00 0.00 O ATOM 878 CB ALA A 411 -5.316 8.772 1.059 1.00 0.00 C ATOM 0 H ALA A 411 -7.036 8.620 2.811 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.540 7.374 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.402 8.806 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.001 8.042 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.786 9.755 1.058 1.00 0.00 H new ATOM 884 N LYS A 412 -4.413 10.505 3.492 1.00 0.00 N ATOM 885 CA LYS A 412 -3.525 11.507 4.065 1.00 0.00 C ATOM 886 C LYS A 412 -2.893 10.991 5.354 1.00 0.00 C ATOM 887 O LYS A 412 -1.697 11.165 5.584 1.00 0.00 O ATOM 888 CB LYS A 412 -4.286 12.811 4.324 1.00 0.00 C ATOM 889 CG LYS A 412 -5.345 12.698 5.409 1.00 0.00 C ATOM 890 CD LYS A 412 -6.189 13.958 5.499 1.00 0.00 C ATOM 891 CE LYS A 412 -7.082 13.946 6.731 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.292 13.861 7.989 1.00 0.00 N ATOM 0 H LYS A 412 -5.393 10.784 3.447 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.727 11.709 3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.574 13.587 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.761 13.134 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.988 11.842 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -4.864 12.512 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -5.538 14.832 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.804 14.050 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.692 14.849 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.767 13.100 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.867 14.205 8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.019 12.872 8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.437 14.446 7.902 1.00 0.00 H new