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 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= -3.02! C(o=-8.2!,f=-3!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -134:sc= 1.08 (180deg=-0.164) USER MOD Single : A 386 GLN : amide:sc= 0.0313 X(o=0.031,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.127 K(o=0.13,f=-3.7!) USER MOD Single : A 390 LYS NZ :NH3+ -142:sc= -0.207 (180deg=-2.52!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -173:sc= 0.556 (180deg=0.367) USER MOD Single : A 396 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=-0.066) USER MOD Single : A 397 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.7!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.626 F(o=-4.3!,f=-0.63) USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0286 (180deg=-0.278) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0469 (180deg=-0.264) USER MOD Single : A 405 THR OG1 : rot 37:sc= 0.129 USER MOD Single : A 408 LYS NZ :NH3+ -166:sc= -0.0439 (180deg=-0.235) USER MOD Single : A 412 LYS NZ :NH3+ 166:sc= -0.0436 (180deg=-0.265) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.509 6.039 -3.628 1.00 0.00 N ATOM 340 CA GLU A 376 -4.176 5.735 -4.886 1.00 0.00 C ATOM 341 C GLU A 376 -5.284 6.747 -5.167 1.00 0.00 C ATOM 342 O GLU A 376 -5.195 7.906 -4.762 1.00 0.00 O ATOM 343 CB GLU A 376 -4.742 4.313 -4.833 1.00 0.00 C ATOM 344 CG GLU A 376 -3.699 3.260 -4.499 1.00 0.00 C ATOM 345 CD GLU A 376 -2.632 3.126 -5.570 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.910 4.114 -5.820 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.519 2.031 -6.159 1.00 0.00 O ATOM 0 HA GLU A 376 -3.452 5.800 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.538 4.274 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.194 4.074 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.225 3.513 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.192 2.298 -4.362 1.00 0.00 H new ATOM 354 N THR A 377 -6.323 6.306 -5.862 1.00 0.00 N ATOM 355 CA THR A 377 -7.439 7.174 -6.199 1.00 0.00 C ATOM 356 C THR A 377 -8.747 6.403 -6.181 1.00 0.00 C ATOM 357 O THR A 377 -8.764 5.189 -6.387 1.00 0.00 O ATOM 358 CB THR A 377 -7.249 7.822 -7.583 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.222 6.811 -8.598 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.958 8.623 -7.625 1.00 0.00 C ATOM 0 H THR A 377 -6.415 5.349 -6.204 1.00 0.00 H new ATOM 0 HA THR A 377 -7.473 7.961 -5.446 1.00 0.00 H new ATOM 0 HB THR A 377 -8.086 8.496 -7.766 1.00 0.00 H new ATOM 0 HG1 THR A 377 -7.103 7.231 -9.475 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.841 9.073 -8.611 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.992 9.408 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.114 7.963 -7.425 1.00 0.00 H new ATOM 368 N GLU A 378 -9.838 7.113 -5.919 1.00 0.00 N ATOM 369 CA GLU A 378 -11.158 6.501 -5.857 1.00 0.00 C ATOM 370 C GLU A 378 -11.372 5.556 -7.030 1.00 0.00 C ATOM 371 O GLU A 378 -11.957 4.486 -6.882 1.00 0.00 O ATOM 372 CB GLU A 378 -12.240 7.580 -5.851 1.00 0.00 C ATOM 373 CG GLU A 378 -13.644 7.031 -5.653 1.00 0.00 C ATOM 374 CD GLU A 378 -14.697 8.121 -5.616 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.626 8.985 -4.717 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.594 8.110 -6.485 1.00 0.00 O ATOM 0 H GLU A 378 -9.833 8.118 -5.745 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.224 5.925 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.023 8.296 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.202 8.127 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.875 6.335 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.681 6.464 -4.723 1.00 0.00 H new ATOM 383 N GLY A 379 -10.896 5.965 -8.196 1.00 0.00 N ATOM 384 CA GLY A 379 -11.046 5.150 -9.385 1.00 0.00 C ATOM 385 C GLY A 379 -10.280 3.846 -9.323 1.00 0.00 C ATOM 386 O GLY A 379 -10.781 2.810 -9.759 1.00 0.00 O ATOM 0 H GLY A 379 -10.407 6.849 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.104 4.934 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.709 5.719 -10.251 1.00 0.00 H new ATOM 390 N SER A 380 -9.063 3.889 -8.796 1.00 0.00 N ATOM 391 CA SER A 380 -8.238 2.690 -8.700 1.00 0.00 C ATOM 392 C SER A 380 -8.760 1.736 -7.629 1.00 0.00 C ATOM 393 O SER A 380 -8.900 0.537 -7.865 1.00 0.00 O ATOM 394 CB SER A 380 -6.794 3.067 -8.400 1.00 0.00 C ATOM 395 OG SER A 380 -5.968 1.918 -8.325 1.00 0.00 O ATOM 0 H SER A 380 -8.627 4.735 -8.430 1.00 0.00 H new ATOM 0 HA SER A 380 -8.285 2.177 -9.661 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.421 3.736 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.747 3.614 -7.458 1.00 0.00 H new ATOM 0 HG SER A 380 -5.046 2.190 -8.133 1.00 0.00 H new ATOM 401 N CYS A 381 -9.028 2.283 -6.449 1.00 0.00 N ATOM 402 CA CYS A 381 -9.513 1.501 -5.315 1.00 0.00 C ATOM 403 C CYS A 381 -10.751 0.671 -5.655 1.00 0.00 C ATOM 404 O CYS A 381 -10.807 -0.518 -5.342 1.00 0.00 O ATOM 405 CB CYS A 381 -9.825 2.431 -4.146 1.00 0.00 C ATOM 406 SG CYS A 381 -8.368 3.275 -3.463 1.00 0.00 S ATOM 0 H CYS A 381 -8.916 3.277 -6.250 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.721 0.802 -5.045 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.546 3.180 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.303 1.854 -3.354 1.00 0.00 H new ATOM 411 N ASN A 382 -11.743 1.300 -6.277 1.00 0.00 N ATOM 412 CA ASN A 382 -12.979 0.602 -6.634 1.00 0.00 C ATOM 413 C ASN A 382 -12.676 -0.642 -7.455 1.00 0.00 C ATOM 414 O ASN A 382 -13.354 -1.663 -7.340 1.00 0.00 O ATOM 415 CB ASN A 382 -13.912 1.520 -7.430 1.00 0.00 C ATOM 416 CG ASN A 382 -14.220 2.824 -6.718 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.663 3.005 -5.528 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.955 3.664 -7.237 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.719 2.284 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.473 0.309 -5.708 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.457 1.740 -8.396 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.845 0.994 -7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.364 3.487 -8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.155 4.537 -6.750 1.00 0.00 H new ATOM 425 N LYS A 383 -11.654 -0.536 -8.292 1.00 0.00 N ATOM 426 CA LYS A 383 -11.247 -1.630 -9.155 1.00 0.00 C ATOM 427 C LYS A 383 -10.516 -2.718 -8.374 1.00 0.00 C ATOM 428 O LYS A 383 -10.584 -3.895 -8.727 1.00 0.00 O ATOM 429 CB LYS A 383 -10.353 -1.085 -10.265 1.00 0.00 C ATOM 430 CG LYS A 383 -10.981 0.081 -11.012 1.00 0.00 C ATOM 431 CD LYS A 383 -9.992 0.743 -11.956 1.00 0.00 C ATOM 432 CE LYS A 383 -9.511 -0.218 -13.033 1.00 0.00 C ATOM 433 NZ LYS A 383 -8.552 0.431 -13.969 1.00 0.00 N ATOM 0 H LYS A 383 -11.088 0.307 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.140 -2.083 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.403 -0.766 -9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.131 -1.885 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.843 -0.272 -11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -11.348 0.816 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -10.460 1.609 -12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -9.137 1.110 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.034 -1.079 -12.564 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.367 -0.593 -13.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -8.248 -0.257 -14.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.014 1.237 -14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -7.723 0.767 -13.439 1.00 0.00 H new ATOM 447 N LYS A 384 -9.803 -2.318 -7.323 1.00 0.00 N ATOM 448 CA LYS A 384 -9.051 -3.258 -6.514 1.00 0.00 C ATOM 449 C LYS A 384 -9.951 -4.283 -5.859 1.00 0.00 C ATOM 450 O LYS A 384 -11.109 -4.017 -5.538 1.00 0.00 O ATOM 451 CB LYS A 384 -8.259 -2.518 -5.449 1.00 0.00 C ATOM 452 CG LYS A 384 -7.500 -1.336 -6.007 1.00 0.00 C ATOM 453 CD LYS A 384 -6.445 -1.720 -7.021 1.00 0.00 C ATOM 454 CE LYS A 384 -5.739 -2.972 -6.599 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.658 -3.365 -7.544 1.00 0.00 N ATOM 0 H LYS A 384 -9.734 -1.348 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.368 -3.786 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.939 -2.174 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.557 -3.207 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.206 -0.648 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.025 -0.799 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -6.908 -1.868 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.725 -0.909 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.314 -2.828 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.462 -3.784 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.726 -4.383 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.759 -2.829 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.732 -3.158 -7.118 1.00 0.00 H new ATOM 469 N ASP A 385 -9.384 -5.453 -5.658 1.00 0.00 N ATOM 470 CA ASP A 385 -10.094 -6.561 -5.026 1.00 0.00 C ATOM 471 C ASP A 385 -10.033 -6.427 -3.510 1.00 0.00 C ATOM 472 O ASP A 385 -9.330 -5.565 -2.992 1.00 0.00 O ATOM 473 CB ASP A 385 -9.505 -7.904 -5.456 1.00 0.00 C ATOM 474 CG ASP A 385 -9.548 -8.097 -6.961 1.00 0.00 C ATOM 475 OD1 ASP A 385 -8.988 -7.247 -7.686 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.142 -9.098 -7.414 1.00 0.00 O ATOM 0 H ASP A 385 -8.423 -5.670 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.135 -6.525 -5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.473 -7.972 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.056 -8.711 -4.973 1.00 0.00 H new ATOM 481 N GLN A 386 -10.769 -7.280 -2.807 1.00 0.00 N ATOM 482 CA GLN A 386 -10.796 -7.244 -1.346 1.00 0.00 C ATOM 483 C GLN A 386 -9.385 -7.185 -0.773 1.00 0.00 C ATOM 484 O GLN A 386 -9.054 -6.282 -0.004 1.00 0.00 O ATOM 485 CB GLN A 386 -11.530 -8.469 -0.797 1.00 0.00 C ATOM 486 CG GLN A 386 -11.597 -8.509 0.722 1.00 0.00 C ATOM 487 CD GLN A 386 -12.367 -9.708 1.240 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.011 -10.855 0.968 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.428 -9.448 1.995 1.00 0.00 N ATOM 0 H GLN A 386 -11.355 -8.005 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.328 -6.343 -1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.544 -8.484 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.032 -9.371 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.585 -8.529 1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.067 -7.595 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.687 -8.482 2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.984 -10.214 2.375 1.00 0.00 H new ATOM 498 N ASN A 387 -8.556 -8.145 -1.159 1.00 0.00 N ATOM 499 CA ASN A 387 -7.184 -8.200 -0.696 1.00 0.00 C ATOM 500 C ASN A 387 -6.377 -7.040 -1.268 1.00 0.00 C ATOM 501 O ASN A 387 -5.455 -6.532 -0.628 1.00 0.00 O ATOM 502 CB ASN A 387 -6.557 -9.527 -1.108 1.00 0.00 C ATOM 503 CG ASN A 387 -6.552 -9.726 -2.611 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.601 -9.724 -3.254 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.365 -9.902 -3.178 1.00 0.00 N ATOM 0 H ASN A 387 -8.816 -8.899 -1.795 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.177 -8.119 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.534 -9.573 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.104 -10.345 -0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.297 -10.043 -4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.521 -9.896 -2.606 1.00 0.00 H new ATOM 512 N GLU A 388 -6.732 -6.635 -2.483 1.00 0.00 N ATOM 513 CA GLU A 388 -6.049 -5.542 -3.162 1.00 0.00 C ATOM 514 C GLU A 388 -6.494 -4.190 -2.628 1.00 0.00 C ATOM 515 O GLU A 388 -5.862 -3.171 -2.907 1.00 0.00 O ATOM 516 CB GLU A 388 -6.290 -5.628 -4.668 1.00 0.00 C ATOM 517 CG GLU A 388 -5.701 -6.877 -5.301 1.00 0.00 C ATOM 518 CD GLU A 388 -5.941 -6.948 -6.796 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.539 -6.004 -7.509 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.524 -7.952 -7.256 1.00 0.00 O ATOM 0 H GLU A 388 -7.493 -7.051 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.981 -5.638 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.363 -5.604 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.861 -4.749 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.629 -6.905 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.133 -7.758 -4.826 1.00 0.00 H new ATOM 527 N CYS A 389 -7.574 -4.181 -1.852 1.00 0.00 N ATOM 528 CA CYS A 389 -8.074 -2.941 -1.281 1.00 0.00 C ATOM 529 C CYS A 389 -6.963 -2.307 -0.454 1.00 0.00 C ATOM 530 O CYS A 389 -6.662 -2.752 0.654 1.00 0.00 O ATOM 531 CB CYS A 389 -9.319 -3.203 -0.430 1.00 0.00 C ATOM 532 SG CYS A 389 -10.249 -1.699 0.004 1.00 0.00 S ATOM 0 H CYS A 389 -8.113 -5.012 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.367 -2.256 -2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.979 -3.883 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.020 -3.710 0.487 1.00 0.00 H new ATOM 537 N LYS A 390 -6.326 -1.297 -1.032 1.00 0.00 N ATOM 538 CA LYS A 390 -5.201 -0.626 -0.390 1.00 0.00 C ATOM 539 C LYS A 390 -5.619 0.214 0.815 1.00 0.00 C ATOM 540 O LYS A 390 -6.789 0.559 0.980 1.00 0.00 O ATOM 541 CB LYS A 390 -4.448 0.210 -1.414 1.00 0.00 C ATOM 542 CG LYS A 390 -3.836 -0.636 -2.525 1.00 0.00 C ATOM 543 CD LYS A 390 -2.929 0.183 -3.429 1.00 0.00 C ATOM 544 CE LYS A 390 -1.750 0.765 -2.663 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.853 1.565 -3.541 1.00 0.00 N ATOM 0 H LYS A 390 -6.570 -0.922 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.538 -1.397 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.128 0.941 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.659 0.769 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.266 -1.455 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.632 -1.084 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.562 -0.444 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.502 0.991 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.119 1.394 -1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.181 -0.044 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.137 1.407 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.985 1.273 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.083 2.575 -3.444 1.00 0.00 H new ATOM 559 N SER A 391 -4.637 0.508 1.667 1.00 0.00 N ATOM 560 CA SER A 391 -4.853 1.270 2.888 1.00 0.00 C ATOM 561 C SER A 391 -5.624 2.569 2.642 1.00 0.00 C ATOM 562 O SER A 391 -6.674 2.778 3.251 1.00 0.00 O ATOM 563 CB SER A 391 -3.512 1.562 3.557 1.00 0.00 C ATOM 564 OG SER A 391 -2.837 0.363 3.895 1.00 0.00 O ATOM 0 H SER A 391 -3.668 0.222 1.526 1.00 0.00 H new ATOM 0 HA SER A 391 -5.469 0.661 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.890 2.156 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.673 2.158 4.455 1.00 0.00 H new ATOM 0 HG SER A 391 -1.981 0.578 4.320 1.00 0.00 H new ATOM 570 N PRO A 392 -5.138 3.467 1.756 1.00 0.00 N ATOM 571 CA PRO A 392 -5.832 4.716 1.481 1.00 0.00 C ATOM 572 C PRO A 392 -7.288 4.462 1.123 1.00 0.00 C ATOM 573 O PRO A 392 -8.173 5.253 1.454 1.00 0.00 O ATOM 574 CB PRO A 392 -5.082 5.320 0.287 1.00 0.00 C ATOM 575 CG PRO A 392 -4.093 4.305 -0.163 1.00 0.00 C ATOM 576 CD PRO A 392 -3.903 3.344 0.967 1.00 0.00 C ATOM 0 HA PRO A 392 -5.841 5.379 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.774 5.568 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.582 6.245 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.451 3.787 -1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.148 4.779 -0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.762 2.326 0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.024 3.596 1.561 1.00 0.00 H new ATOM 584 N CYS A 393 -7.524 3.342 0.450 1.00 0.00 N ATOM 585 CA CYS A 393 -8.865 2.951 0.041 1.00 0.00 C ATOM 586 C CYS A 393 -9.721 2.608 1.253 1.00 0.00 C ATOM 587 O CYS A 393 -9.209 2.172 2.285 1.00 0.00 O ATOM 588 CB CYS A 393 -8.799 1.744 -0.891 1.00 0.00 C ATOM 589 SG CYS A 393 -7.564 1.891 -2.222 1.00 0.00 S ATOM 0 H CYS A 393 -6.795 2.684 0.174 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.318 3.792 -0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.575 0.856 -0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.781 1.591 -1.338 1.00 0.00 H new ATOM 594 N LYS A 394 -11.026 2.798 1.118 1.00 0.00 N ATOM 595 CA LYS A 394 -11.958 2.499 2.199 1.00 0.00 C ATOM 596 C LYS A 394 -12.757 1.243 1.882 1.00 0.00 C ATOM 597 O LYS A 394 -13.500 1.195 0.896 1.00 0.00 O ATOM 598 CB LYS A 394 -12.905 3.677 2.442 1.00 0.00 C ATOM 599 CG LYS A 394 -13.789 3.500 3.665 1.00 0.00 C ATOM 600 CD LYS A 394 -12.975 3.534 4.946 1.00 0.00 C ATOM 601 CE LYS A 394 -12.433 4.923 5.217 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.526 5.905 5.466 1.00 0.00 N ATOM 0 H LYS A 394 -11.465 3.158 0.270 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.379 2.328 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.317 4.588 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.536 3.813 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.541 4.288 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.323 2.552 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.596 3.214 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.149 2.827 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.769 4.892 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -11.835 5.252 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.125 6.862 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.211 5.868 4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.006 5.671 6.358 1.00 0.00 H new ATOM 616 N TRP A 395 -12.593 0.228 2.724 1.00 0.00 N ATOM 617 CA TRP A 395 -13.287 -1.040 2.548 1.00 0.00 C ATOM 618 C TRP A 395 -14.700 -0.985 3.121 1.00 0.00 C ATOM 619 O TRP A 395 -14.961 -0.272 4.091 1.00 0.00 O ATOM 620 CB TRP A 395 -12.500 -2.172 3.216 1.00 0.00 C ATOM 621 CG TRP A 395 -13.100 -3.529 2.995 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.553 -4.391 3.952 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.302 -4.183 1.737 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.034 -5.537 3.365 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.889 -5.434 2.007 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.046 -3.834 0.407 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.225 -6.333 0.997 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.379 -4.727 -0.593 1.00 0.00 C ATOM 629 CH2 TRP A 395 -13.963 -5.964 -0.293 1.00 0.00 C ATOM 0 H TRP A 395 -11.981 0.261 3.540 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.361 -1.233 1.478 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.479 -2.168 2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.441 -1.980 4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.536 -4.200 5.015 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.434 -6.334 3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.596 -2.882 0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.676 -7.287 1.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.186 -4.467 -1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.212 -6.640 -1.097 1.00 0.00 H new ATOM 640 N HIS A 396 -15.604 -1.755 2.522 1.00 0.00 N ATOM 641 CA HIS A 396 -16.989 -1.814 2.976 1.00 0.00 C ATOM 642 C HIS A 396 -17.520 -3.238 2.872 1.00 0.00 C ATOM 643 O HIS A 396 -17.593 -3.810 1.782 1.00 0.00 O ATOM 644 CB HIS A 396 -17.866 -0.865 2.157 1.00 0.00 C ATOM 645 CG HIS A 396 -17.520 0.581 2.338 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.591 1.223 3.556 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.095 1.510 1.449 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.227 2.485 3.408 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.921 2.684 2.139 1.00 0.00 N ATOM 0 H HIS A 396 -15.401 -2.349 1.718 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.021 -1.501 4.020 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.776 -1.122 1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.909 -1.018 2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.925 1.356 0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.187 3.227 4.192 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.606 3.567 1.737 1.00 0.00 H new ATOM 658 N ASN A 397 -17.875 -3.806 4.020 1.00 0.00 N ATOM 659 CA ASN A 397 -18.386 -5.171 4.086 1.00 0.00 C ATOM 660 C ASN A 397 -19.905 -5.209 3.938 1.00 0.00 C ATOM 661 O ASN A 397 -20.607 -4.304 4.390 1.00 0.00 O ATOM 662 CB ASN A 397 -17.971 -5.821 5.408 1.00 0.00 C ATOM 663 CG ASN A 397 -18.377 -7.280 5.498 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.561 -7.612 5.462 1.00 0.00 O ATOM 665 ND2 ASN A 397 -17.390 -8.161 5.616 1.00 0.00 N ATOM 0 H ASN A 397 -17.817 -3.338 4.924 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.956 -5.730 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -16.890 -5.742 5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.421 -5.272 6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.600 -9.157 5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.422 -7.842 5.642 1.00 0.00 H new ATOM 672 N ASP A 398 -20.399 -6.272 3.308 1.00 0.00 N ATOM 673 CA ASP A 398 -21.833 -6.460 3.099 1.00 0.00 C ATOM 674 C ASP A 398 -22.423 -5.338 2.246 1.00 0.00 C ATOM 675 O ASP A 398 -23.552 -4.899 2.468 1.00 0.00 O ATOM 676 CB ASP A 398 -22.558 -6.543 4.447 1.00 0.00 C ATOM 677 CG ASP A 398 -24.030 -6.879 4.301 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.342 -7.952 3.743 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.870 -6.069 4.746 1.00 0.00 O ATOM 0 H ASP A 398 -19.821 -7.023 2.930 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.975 -7.397 2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.077 -7.299 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.457 -5.591 4.968 1.00 0.00 H new ATOM 684 N ALA A 399 -21.658 -4.887 1.258 1.00 0.00 N ATOM 685 CA ALA A 399 -22.116 -3.832 0.363 1.00 0.00 C ATOM 686 C ALA A 399 -22.948 -4.421 -0.773 1.00 0.00 C ATOM 687 O ALA A 399 -23.520 -5.502 -0.635 1.00 0.00 O ATOM 688 CB ALA A 399 -20.926 -3.056 -0.189 1.00 0.00 C ATOM 0 H ALA A 399 -20.720 -5.235 1.057 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.746 -3.144 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.282 -2.271 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.370 -2.608 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.274 -3.733 -0.741 1.00 0.00 H new ATOM 694 N GLU A 400 -22.999 -3.719 -1.900 1.00 0.00 N ATOM 695 CA GLU A 400 -23.745 -4.193 -3.060 1.00 0.00 C ATOM 696 C GLU A 400 -23.027 -5.387 -3.680 1.00 0.00 C ATOM 697 O GLU A 400 -23.653 -6.297 -4.225 1.00 0.00 O ATOM 698 CB GLU A 400 -23.894 -3.072 -4.092 1.00 0.00 C ATOM 699 CG GLU A 400 -24.686 -3.478 -5.325 1.00 0.00 C ATOM 700 CD GLU A 400 -24.806 -2.357 -6.340 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.273 -1.257 -6.077 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.432 -2.578 -7.398 1.00 0.00 O ATOM 0 H GLU A 400 -22.534 -2.821 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.740 -4.501 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.383 -2.219 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -22.903 -2.740 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.206 -4.337 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.683 -3.797 -5.022 1.00 0.00 H new ATOM 709 N ASN A 401 -21.702 -5.362 -3.580 1.00 0.00 N ATOM 710 CA ASN A 401 -20.851 -6.419 -4.112 1.00 0.00 C ATOM 711 C ASN A 401 -19.401 -6.137 -3.735 1.00 0.00 C ATOM 712 O ASN A 401 -18.510 -6.141 -4.586 1.00 0.00 O ATOM 713 CB ASN A 401 -20.997 -6.522 -5.636 1.00 0.00 C ATOM 714 CG ASN A 401 -20.658 -5.230 -6.365 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.322 -4.180 -5.620 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.700 -5.175 -7.594 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.188 -4.607 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.159 -7.372 -3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.349 -7.318 -6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.021 -6.808 -5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.962 -6.001 -8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.473 -4.304 -8.074 1.00 0.00 H new ATOM 723 N LYS A 402 -19.192 -5.860 -2.447 1.00 0.00 N ATOM 724 CA LYS A 402 -17.870 -5.534 -1.918 1.00 0.00 C ATOM 725 C LYS A 402 -17.448 -4.153 -2.402 1.00 0.00 C ATOM 726 O LYS A 402 -17.311 -3.923 -3.604 1.00 0.00 O ATOM 727 CB LYS A 402 -16.833 -6.581 -2.338 1.00 0.00 C ATOM 728 CG LYS A 402 -17.171 -7.995 -1.889 1.00 0.00 C ATOM 729 CD LYS A 402 -17.232 -8.104 -0.374 1.00 0.00 C ATOM 730 CE LYS A 402 -17.551 -9.522 0.070 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.517 -10.492 -0.385 1.00 0.00 N ATOM 0 H LYS A 402 -19.932 -5.856 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 402 -17.926 -5.534 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.736 -6.568 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.862 -6.302 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.130 -8.293 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.423 -8.688 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.278 -7.794 0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -17.990 -7.422 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.625 -9.554 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.523 -9.816 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.624 -11.385 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.633 -10.671 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.571 -10.099 -0.208 1.00 0.00 H new ATOM 745 N LYS A 403 -17.258 -3.229 -1.465 1.00 0.00 N ATOM 746 CA LYS A 403 -16.870 -1.868 -1.814 1.00 0.00 C ATOM 747 C LYS A 403 -15.493 -1.505 -1.267 1.00 0.00 C ATOM 748 O LYS A 403 -15.143 -1.855 -0.144 1.00 0.00 O ATOM 749 CB LYS A 403 -17.910 -0.867 -1.308 1.00 0.00 C ATOM 750 CG LYS A 403 -19.201 -0.867 -2.111 1.00 0.00 C ATOM 751 CD LYS A 403 -18.965 -0.422 -3.547 1.00 0.00 C ATOM 752 CE LYS A 403 -20.259 -0.394 -4.343 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.256 0.540 -3.750 1.00 0.00 N ATOM 0 H LYS A 403 -17.366 -3.397 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.819 -1.820 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.141 -1.092 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.479 0.134 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.634 -1.867 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.925 -0.204 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.513 0.570 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.257 -1.098 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.047 -0.095 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.682 -1.398 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.020 0.713 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.654 0.120 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.791 1.440 -3.515 1.00 0.00 H new ATOM 767 N CYS A 404 -14.730 -0.784 -2.080 1.00 0.00 N ATOM 768 CA CYS A 404 -13.391 -0.336 -1.710 1.00 0.00 C ATOM 769 C CYS A 404 -13.135 1.039 -2.311 1.00 0.00 C ATOM 770 O CYS A 404 -12.290 1.197 -3.189 1.00 0.00 O ATOM 771 CB CYS A 404 -12.329 -1.327 -2.198 1.00 0.00 C ATOM 772 SG CYS A 404 -10.619 -0.834 -1.800 1.00 0.00 S ATOM 0 H CYS A 404 -15.021 -0.493 -3.013 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.328 -0.279 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.527 -2.304 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.422 -1.441 -3.278 1.00 0.00 H new ATOM 777 N THR A 405 -13.893 2.030 -1.849 1.00 0.00 N ATOM 778 CA THR A 405 -13.765 3.389 -2.363 1.00 0.00 C ATOM 779 C THR A 405 -12.691 4.176 -1.625 1.00 0.00 C ATOM 780 O THR A 405 -12.667 4.215 -0.399 1.00 0.00 O ATOM 781 CB THR A 405 -15.096 4.154 -2.283 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.556 4.202 -0.927 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.150 3.497 -3.164 1.00 0.00 C ATOM 0 H THR A 405 -14.600 1.917 -1.122 1.00 0.00 H new ATOM 0 HA THR A 405 -13.473 3.292 -3.409 1.00 0.00 H new ATOM 0 HB THR A 405 -14.929 5.170 -2.641 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.789 4.300 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.084 4.055 -3.092 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.808 3.494 -4.199 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.314 2.472 -2.832 1.00 0.00 H new ATOM 791 N LEU A 406 -11.811 4.807 -2.392 1.00 0.00 N ATOM 792 CA LEU A 406 -10.726 5.602 -1.836 1.00 0.00 C ATOM 793 C LEU A 406 -11.265 6.680 -0.908 1.00 0.00 C ATOM 794 O LEU A 406 -12.315 7.271 -1.161 1.00 0.00 O ATOM 795 CB LEU A 406 -9.910 6.228 -2.970 1.00 0.00 C ATOM 796 CG LEU A 406 -8.586 6.885 -2.573 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.816 8.231 -1.909 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.784 5.969 -1.666 1.00 0.00 C ATOM 0 H LEU A 406 -11.830 4.782 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.079 4.949 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.699 5.453 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.529 6.978 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.012 7.057 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.857 8.672 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.338 8.893 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.419 8.095 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.847 6.455 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.357 5.758 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.572 5.036 -2.187 1.00 0.00 H new ATOM 810 N ASP A 407 -10.529 6.933 0.164 1.00 0.00 N ATOM 811 CA ASP A 407 -10.915 7.946 1.138 1.00 0.00 C ATOM 812 C ASP A 407 -9.807 8.983 1.280 1.00 0.00 C ATOM 813 O ASP A 407 -8.644 8.635 1.477 1.00 0.00 O ATOM 814 CB ASP A 407 -11.203 7.300 2.497 1.00 0.00 C ATOM 815 CG ASP A 407 -11.713 8.299 3.521 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.903 9.480 3.159 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.928 7.899 4.683 1.00 0.00 O ATOM 0 H ASP A 407 -9.658 6.449 0.383 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.822 8.438 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.940 6.507 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.293 6.832 2.873 1.00 0.00 H new ATOM 822 N LYS A 408 -10.173 10.256 1.179 1.00 0.00 N ATOM 823 CA LYS A 408 -9.199 11.333 1.298 1.00 0.00 C ATOM 824 C LYS A 408 -8.635 11.390 2.713 1.00 0.00 C ATOM 825 O LYS A 408 -7.422 11.477 2.903 1.00 0.00 O ATOM 826 CB LYS A 408 -9.831 12.674 0.934 1.00 0.00 C ATOM 827 CG LYS A 408 -10.384 12.721 -0.483 1.00 0.00 C ATOM 828 CD LYS A 408 -10.987 14.080 -0.807 1.00 0.00 C ATOM 829 CE LYS A 408 -12.183 14.389 0.079 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.275 13.391 -0.096 1.00 0.00 N ATOM 0 H LYS A 408 -11.131 10.566 1.016 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.384 11.131 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.636 12.890 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.086 13.461 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.587 12.498 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.143 11.948 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.230 14.854 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.293 14.102 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.868 14.404 1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.560 15.385 -0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -14.150 13.755 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.431 13.221 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.008 12.499 0.367 1.00 0.00 H new ATOM 844 N GLU A 409 -9.522 11.336 3.702 1.00 0.00 N ATOM 845 CA GLU A 409 -9.113 11.376 5.100 1.00 0.00 C ATOM 846 C GLU A 409 -8.164 10.224 5.416 1.00 0.00 C ATOM 847 O GLU A 409 -7.155 10.405 6.097 1.00 0.00 O ATOM 848 CB GLU A 409 -10.340 11.309 6.012 1.00 0.00 C ATOM 849 CG GLU A 409 -11.321 12.450 5.796 1.00 0.00 C ATOM 850 CD GLU A 409 -12.526 12.370 6.715 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.602 11.413 7.515 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.394 13.264 6.633 1.00 0.00 O ATOM 0 H GLU A 409 -10.529 11.264 3.560 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.590 12.315 5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.854 10.362 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.011 11.315 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.809 13.399 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.659 12.442 4.760 1.00 0.00 H new ATOM 859 N GLU A 410 -8.497 9.041 4.909 1.00 0.00 N ATOM 860 CA GLU A 410 -7.675 7.856 5.127 1.00 0.00 C ATOM 861 C GLU A 410 -6.331 8.005 4.426 1.00 0.00 C ATOM 862 O GLU A 410 -5.283 7.718 5.004 1.00 0.00 O ATOM 863 CB GLU A 410 -8.400 6.607 4.616 1.00 0.00 C ATOM 864 CG GLU A 410 -7.627 5.314 4.829 1.00 0.00 C ATOM 865 CD GLU A 410 -7.406 4.993 6.296 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.722 5.782 6.982 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.919 3.953 6.759 1.00 0.00 O ATOM 0 H GLU A 410 -9.331 8.878 4.344 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.500 7.748 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.365 6.529 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.602 6.726 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.168 4.492 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.661 5.387 4.329 1.00 0.00 H new ATOM 874 N ALA A 411 -6.374 8.462 3.179 1.00 0.00 N ATOM 875 CA ALA A 411 -5.165 8.663 2.390 1.00 0.00 C ATOM 876 C ALA A 411 -4.184 9.569 3.120 1.00 0.00 C ATOM 877 O ALA A 411 -2.977 9.322 3.122 1.00 0.00 O ATOM 878 CB ALA A 411 -5.519 9.255 1.034 1.00 0.00 C ATOM 0 H ALA A 411 -7.238 8.701 2.692 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.687 7.695 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.609 9.401 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.184 8.575 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.018 10.214 1.175 1.00 0.00 H new ATOM 884 N LYS A 412 -4.711 10.618 3.739 1.00 0.00 N ATOM 885 CA LYS A 412 -3.888 11.565 4.478 1.00 0.00 C ATOM 886 C LYS A 412 -3.168 10.874 5.630 1.00 0.00 C ATOM 887 O LYS A 412 -1.961 11.031 5.803 1.00 0.00 O ATOM 888 CB LYS A 412 -4.755 12.704 5.013 1.00 0.00 C ATOM 889 CG LYS A 412 -5.441 13.511 3.922 1.00 0.00 C ATOM 890 CD LYS A 412 -6.424 14.515 4.501 1.00 0.00 C ATOM 891 CE LYS A 412 -5.723 15.550 5.369 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.699 16.313 4.604 1.00 0.00 N ATOM 0 H LYS A 412 -5.708 10.834 3.743 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.139 11.972 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.513 12.291 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.135 13.371 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -4.691 14.036 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.966 12.836 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.952 15.017 3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.174 13.991 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.460 16.241 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.249 15.053 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.415 17.153 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.868 15.710 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.098 16.610 3.691 1.00 0.00 H new