USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=8 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 377 THR OG1 : rot 180:sc= 0.135 USER MOD Set 1.2: A 380 SER OG : rot 83:sc= 0.145 USER MOD Single : A 382 ASN : amide:sc= -5.11! K(o=-5.1!,f=-1.3) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -119:sc= -1.44 (180deg=-4.99!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.42) USER MOD Single : A 390 LYS NZ :NH3+ -166:sc= -0.0378 (180deg=-0.283) 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 396 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.072) USER MOD Single : A 397 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.7!) USER MOD Single : A 401 ASN : amide:sc= -2.22! K(o=-2.2!,f=-0.17) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 LYS NZ :NH3+ -173:sc= -0.415 (180deg=-0.583) USER MOD Single : A 405 THR OG1 : rot 31:sc= 0.272 USER MOD Single : A 408 LYS NZ :NH3+ -165:sc= -0.0103 (180deg=-0.253) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.543 6.060 -3.453 1.00 0.00 N ATOM 340 CA GLU A 376 -4.133 5.832 -4.764 1.00 0.00 C ATOM 341 C GLU A 376 -5.230 6.850 -5.051 1.00 0.00 C ATOM 342 O GLU A 376 -5.146 8.003 -4.628 1.00 0.00 O ATOM 343 CB GLU A 376 -4.683 4.405 -4.833 1.00 0.00 C ATOM 344 CG GLU A 376 -3.661 3.347 -4.458 1.00 0.00 C ATOM 345 CD GLU A 376 -2.495 3.282 -5.427 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.755 4.283 -5.539 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.320 2.228 -6.074 1.00 0.00 O ATOM 0 HA GLU A 376 -3.363 5.955 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.542 4.322 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.043 4.210 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.283 3.553 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.150 2.374 -4.420 1.00 0.00 H new ATOM 354 N THR A 377 -6.253 6.419 -5.775 1.00 0.00 N ATOM 355 CA THR A 377 -7.363 7.286 -6.130 1.00 0.00 C ATOM 356 C THR A 377 -8.667 6.503 -6.156 1.00 0.00 C ATOM 357 O THR A 377 -8.666 5.293 -6.380 1.00 0.00 O ATOM 358 CB THR A 377 -7.138 7.953 -7.499 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.063 6.957 -8.525 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.857 8.771 -7.488 1.00 0.00 C ATOM 0 H THR A 377 -6.335 5.466 -6.130 1.00 0.00 H new ATOM 0 HA THR A 377 -7.424 8.065 -5.370 1.00 0.00 H new ATOM 0 HB THR A 377 -7.979 8.616 -7.701 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.921 7.391 -9.392 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.714 9.235 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.926 9.545 -6.724 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.011 8.120 -7.268 1.00 0.00 H new ATOM 368 N GLU A 378 -9.772 7.199 -5.911 1.00 0.00 N ATOM 369 CA GLU A 378 -11.089 6.572 -5.890 1.00 0.00 C ATOM 370 C GLU A 378 -11.248 5.597 -7.047 1.00 0.00 C ATOM 371 O GLU A 378 -11.803 4.512 -6.888 1.00 0.00 O ATOM 372 CB GLU A 378 -12.180 7.637 -5.960 1.00 0.00 C ATOM 373 CG GLU A 378 -13.590 7.072 -5.883 1.00 0.00 C ATOM 374 CD GLU A 378 -14.656 8.142 -6.006 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.683 8.836 -7.045 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.464 8.288 -5.065 1.00 0.00 O ATOM 0 H GLU A 378 -9.782 8.202 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.184 6.018 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.037 8.346 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.072 8.195 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.726 6.336 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.715 6.547 -4.936 1.00 0.00 H new ATOM 383 N GLY A 379 -10.757 5.998 -8.210 1.00 0.00 N ATOM 384 CA GLY A 379 -10.855 5.155 -9.382 1.00 0.00 C ATOM 385 C GLY A 379 -10.070 3.867 -9.260 1.00 0.00 C ATOM 386 O GLY A 379 -10.547 2.807 -9.664 1.00 0.00 O ATOM 0 H GLY A 379 -10.292 6.893 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.903 4.918 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.498 5.709 -10.250 1.00 0.00 H new ATOM 390 N SER A 380 -8.865 3.951 -8.711 1.00 0.00 N ATOM 391 CA SER A 380 -8.026 2.770 -8.555 1.00 0.00 C ATOM 392 C SER A 380 -8.615 1.796 -7.539 1.00 0.00 C ATOM 393 O SER A 380 -8.746 0.604 -7.811 1.00 0.00 O ATOM 394 CB SER A 380 -6.619 3.174 -8.129 1.00 0.00 C ATOM 395 OG SER A 380 -6.013 4.015 -9.094 1.00 0.00 O ATOM 0 H SER A 380 -8.449 4.817 -8.369 1.00 0.00 H new ATOM 0 HA SER A 380 -7.981 2.266 -9.521 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.661 3.689 -7.169 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.009 2.282 -7.986 1.00 0.00 H new ATOM 0 HG SER A 380 -6.311 4.938 -8.957 1.00 0.00 H new ATOM 401 N CYS A 381 -8.958 2.315 -6.367 1.00 0.00 N ATOM 402 CA CYS A 381 -9.517 1.500 -5.291 1.00 0.00 C ATOM 403 C CYS A 381 -10.731 0.691 -5.740 1.00 0.00 C ATOM 404 O CYS A 381 -10.833 -0.499 -5.442 1.00 0.00 O ATOM 405 CB CYS A 381 -9.897 2.392 -4.113 1.00 0.00 C ATOM 406 SG CYS A 381 -8.480 3.208 -3.318 1.00 0.00 S ATOM 0 H CYS A 381 -8.859 3.303 -6.135 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.748 0.788 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.596 3.154 -4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.422 1.791 -3.370 1.00 0.00 H new ATOM 411 N ASN A 382 -11.653 1.341 -6.441 1.00 0.00 N ATOM 412 CA ASN A 382 -12.866 0.673 -6.913 1.00 0.00 C ATOM 413 C ASN A 382 -12.537 -0.588 -7.703 1.00 0.00 C ATOM 414 O ASN A 382 -13.334 -1.524 -7.756 1.00 0.00 O ATOM 415 CB ASN A 382 -13.696 1.618 -7.784 1.00 0.00 C ATOM 416 CG ASN A 382 -14.131 2.875 -7.053 1.00 0.00 C ATOM 417 OD1 ASN A 382 -14.817 3.725 -7.620 1.00 0.00 O ATOM 418 ND2 ASN A 382 -13.737 3.002 -5.791 1.00 0.00 N ATOM 0 H ASN A 382 -11.587 2.326 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.444 0.389 -6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.114 1.899 -8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.579 1.090 -8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.003 3.828 -5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -13.169 2.274 -5.358 1.00 0.00 H new ATOM 425 N LYS A 383 -11.367 -0.599 -8.329 1.00 0.00 N ATOM 426 CA LYS A 383 -10.942 -1.734 -9.132 1.00 0.00 C ATOM 427 C LYS A 383 -10.332 -2.828 -8.263 1.00 0.00 C ATOM 428 O LYS A 383 -10.484 -4.017 -8.545 1.00 0.00 O ATOM 429 CB LYS A 383 -9.932 -1.277 -10.186 1.00 0.00 C ATOM 430 CG LYS A 383 -10.314 0.028 -10.869 1.00 0.00 C ATOM 431 CD LYS A 383 -11.708 -0.036 -11.475 1.00 0.00 C ATOM 432 CE LYS A 383 -12.052 1.249 -12.210 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.417 1.204 -12.802 1.00 0.00 N ATOM 0 H LYS A 383 -10.695 0.168 -8.295 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.820 -2.148 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.956 -1.159 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.829 -2.056 -10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.269 0.843 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.589 0.255 -11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.769 -0.879 -12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.441 -0.214 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.983 2.091 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.320 1.423 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.612 2.099 -13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.476 0.417 -13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -14.118 1.064 -12.047 1.00 0.00 H new ATOM 447 N LYS A 384 -9.627 -2.414 -7.216 1.00 0.00 N ATOM 448 CA LYS A 384 -8.975 -3.348 -6.312 1.00 0.00 C ATOM 449 C LYS A 384 -9.979 -4.218 -5.564 1.00 0.00 C ATOM 450 O LYS A 384 -10.923 -3.713 -4.956 1.00 0.00 O ATOM 451 CB LYS A 384 -8.108 -2.571 -5.321 1.00 0.00 C ATOM 452 CG LYS A 384 -6.763 -2.120 -5.882 1.00 0.00 C ATOM 453 CD LYS A 384 -6.879 -1.490 -7.262 1.00 0.00 C ATOM 454 CE LYS A 384 -6.611 -2.500 -8.369 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.740 -1.888 -9.720 1.00 0.00 N ATOM 0 H LYS A 384 -9.493 -1.432 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.353 -4.016 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.660 -1.694 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.932 -3.194 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.312 -1.402 -5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.091 -2.977 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.877 -1.070 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.173 -0.664 -7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.609 -2.911 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.310 -3.332 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.496 -2.369 -10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.973 -0.879 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.841 -1.988 -10.234 1.00 0.00 H new ATOM 469 N ASP A 385 -9.757 -5.531 -5.599 1.00 0.00 N ATOM 470 CA ASP A 385 -10.629 -6.476 -4.911 1.00 0.00 C ATOM 471 C ASP A 385 -10.406 -6.396 -3.405 1.00 0.00 C ATOM 472 O ASP A 385 -9.611 -5.584 -2.939 1.00 0.00 O ATOM 473 CB ASP A 385 -10.376 -7.900 -5.406 1.00 0.00 C ATOM 474 CG ASP A 385 -10.661 -8.057 -6.888 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.814 -7.811 -7.299 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.732 -8.426 -7.636 1.00 0.00 O ATOM 0 H ASP A 385 -8.979 -5.963 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.664 -6.213 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.339 -8.172 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.001 -8.594 -4.843 1.00 0.00 H new ATOM 481 N GLN A 386 -11.107 -7.239 -2.652 1.00 0.00 N ATOM 482 CA GLN A 386 -10.983 -7.253 -1.194 1.00 0.00 C ATOM 483 C GLN A 386 -9.520 -7.227 -0.759 1.00 0.00 C ATOM 484 O GLN A 386 -9.106 -6.355 0.007 1.00 0.00 O ATOM 485 CB GLN A 386 -11.668 -8.494 -0.616 1.00 0.00 C ATOM 486 CG GLN A 386 -11.581 -8.589 0.898 1.00 0.00 C ATOM 487 CD GLN A 386 -12.239 -9.841 1.444 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.849 -10.959 1.107 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.246 -9.660 2.291 1.00 0.00 N ATOM 0 H GLN A 386 -11.767 -7.922 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.471 -6.356 -0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.717 -8.490 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.217 -9.384 -1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.534 -8.573 1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.054 -7.712 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.537 -8.715 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.729 -10.466 2.689 1.00 0.00 H new ATOM 498 N ASN A 387 -8.744 -8.183 -1.251 1.00 0.00 N ATOM 499 CA ASN A 387 -7.330 -8.275 -0.915 1.00 0.00 C ATOM 500 C ASN A 387 -6.559 -7.075 -1.463 1.00 0.00 C ATOM 501 O ASN A 387 -5.614 -6.590 -0.838 1.00 0.00 O ATOM 502 CB ASN A 387 -6.750 -9.577 -1.480 1.00 0.00 C ATOM 503 CG ASN A 387 -5.304 -9.827 -1.080 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.682 -10.779 -1.550 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.760 -8.989 -0.203 1.00 0.00 N ATOM 0 H ASN A 387 -9.072 -8.909 -1.887 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.230 -8.274 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.361 -10.414 -1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.818 -9.553 -2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.796 -9.125 0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.307 -8.210 0.165 1.00 0.00 H new ATOM 512 N GLU A 388 -6.961 -6.607 -2.639 1.00 0.00 N ATOM 513 CA GLU A 388 -6.305 -5.473 -3.281 1.00 0.00 C ATOM 514 C GLU A 388 -6.731 -4.148 -2.661 1.00 0.00 C ATOM 515 O GLU A 388 -6.104 -3.117 -2.906 1.00 0.00 O ATOM 516 CB GLU A 388 -6.602 -5.475 -4.780 1.00 0.00 C ATOM 517 CG GLU A 388 -6.092 -6.715 -5.498 1.00 0.00 C ATOM 518 CD GLU A 388 -6.393 -6.695 -6.983 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.931 -5.759 -7.669 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.089 -7.616 -7.461 1.00 0.00 O ATOM 0 H GLU A 388 -7.741 -6.996 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.231 -5.579 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.679 -5.396 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.152 -4.592 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.015 -6.798 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.544 -7.600 -5.051 1.00 0.00 H new ATOM 527 N CYS A 389 -7.794 -4.172 -1.861 1.00 0.00 N ATOM 528 CA CYS A 389 -8.275 -2.955 -1.224 1.00 0.00 C ATOM 529 C CYS A 389 -7.171 -2.371 -0.350 1.00 0.00 C ATOM 530 O CYS A 389 -6.908 -2.856 0.750 1.00 0.00 O ATOM 531 CB CYS A 389 -9.529 -3.236 -0.395 1.00 0.00 C ATOM 532 SG CYS A 389 -10.522 -1.750 -0.040 1.00 0.00 S ATOM 0 H CYS A 389 -8.331 -5.011 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.542 -2.231 -1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.150 -3.959 -0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.235 -3.699 0.547 1.00 0.00 H new ATOM 537 N LYS A 390 -6.509 -1.347 -0.873 1.00 0.00 N ATOM 538 CA LYS A 390 -5.404 -0.701 -0.179 1.00 0.00 C ATOM 539 C LYS A 390 -5.871 0.106 1.029 1.00 0.00 C ATOM 540 O LYS A 390 -7.053 0.423 1.162 1.00 0.00 O ATOM 541 CB LYS A 390 -4.629 0.172 -1.157 1.00 0.00 C ATOM 542 CG LYS A 390 -4.008 -0.627 -2.296 1.00 0.00 C ATOM 543 CD LYS A 390 -3.257 0.269 -3.265 1.00 0.00 C ATOM 544 CE LYS A 390 -2.626 -0.532 -4.392 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.661 -1.543 -3.879 1.00 0.00 N ATOM 0 H LYS A 390 -6.722 -0.943 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.747 -1.480 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.297 0.927 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.842 0.702 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.327 -1.374 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.790 -1.167 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.940 1.009 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.482 0.817 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.407 -1.033 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.114 0.145 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.082 -1.901 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.044 -1.104 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.182 -2.332 -3.446 1.00 0.00 H new ATOM 559 N SER A 391 -4.927 0.410 1.918 1.00 0.00 N ATOM 560 CA SER A 391 -5.211 1.151 3.138 1.00 0.00 C ATOM 561 C SER A 391 -5.961 2.457 2.860 1.00 0.00 C ATOM 562 O SER A 391 -7.030 2.682 3.428 1.00 0.00 O ATOM 563 CB SER A 391 -3.909 1.430 3.888 1.00 0.00 C ATOM 564 OG SER A 391 -3.251 0.225 4.235 1.00 0.00 O ATOM 0 H SER A 391 -3.947 0.149 1.810 1.00 0.00 H new ATOM 0 HA SER A 391 -5.863 0.535 3.757 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.253 2.041 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 391 -4.121 2.005 4.790 1.00 0.00 H new ATOM 0 HG SER A 391 -2.420 0.432 4.712 1.00 0.00 H new ATOM 570 N PRO A 392 -5.432 3.342 1.985 1.00 0.00 N ATOM 571 CA PRO A 392 -6.094 4.602 1.669 1.00 0.00 C ATOM 572 C PRO A 392 -7.543 4.376 1.253 1.00 0.00 C ATOM 573 O PRO A 392 -8.415 5.209 1.503 1.00 0.00 O ATOM 574 CB PRO A 392 -5.281 5.176 0.501 1.00 0.00 C ATOM 575 CG PRO A 392 -4.324 4.119 0.083 1.00 0.00 C ATOM 576 CD PRO A 392 -4.170 3.193 1.245 1.00 0.00 C ATOM 0 HA PRO A 392 -6.129 5.273 2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.935 5.454 -0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.751 6.079 0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.696 3.584 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.364 4.554 -0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.017 2.164 0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.312 3.463 1.860 1.00 0.00 H new ATOM 584 N CYS A 393 -7.784 3.235 0.618 1.00 0.00 N ATOM 585 CA CYS A 393 -9.118 2.870 0.161 1.00 0.00 C ATOM 586 C CYS A 393 -10.024 2.535 1.342 1.00 0.00 C ATOM 587 O CYS A 393 -9.561 2.073 2.383 1.00 0.00 O ATOM 588 CB CYS A 393 -9.046 1.668 -0.776 1.00 0.00 C ATOM 589 SG CYS A 393 -7.764 1.790 -2.064 1.00 0.00 S ATOM 0 H CYS A 393 -7.066 2.542 0.407 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.535 3.724 -0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.863 0.772 -0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.016 1.540 -1.257 1.00 0.00 H new ATOM 594 N LYS A 394 -11.319 2.759 1.162 1.00 0.00 N ATOM 595 CA LYS A 394 -12.301 2.467 2.201 1.00 0.00 C ATOM 596 C LYS A 394 -13.046 1.182 1.872 1.00 0.00 C ATOM 597 O LYS A 394 -13.777 1.110 0.880 1.00 0.00 O ATOM 598 CB LYS A 394 -13.287 3.629 2.351 1.00 0.00 C ATOM 599 CG LYS A 394 -14.289 3.443 3.479 1.00 0.00 C ATOM 600 CD LYS A 394 -15.222 4.640 3.600 1.00 0.00 C ATOM 601 CE LYS A 394 -14.461 5.914 3.933 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.367 7.092 4.031 1.00 0.00 N ATOM 0 H LYS A 394 -11.716 3.143 0.304 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.776 2.337 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.727 4.548 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.829 3.757 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.874 2.541 3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.757 3.299 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.765 4.774 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.964 4.446 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.931 5.784 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.708 6.098 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.810 7.940 4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.854 7.232 3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -16.070 6.928 4.779 1.00 0.00 H new ATOM 616 N TRP A 395 -12.839 0.169 2.704 1.00 0.00 N ATOM 617 CA TRP A 395 -13.466 -1.129 2.510 1.00 0.00 C ATOM 618 C TRP A 395 -14.859 -1.185 3.133 1.00 0.00 C ATOM 619 O TRP A 395 -15.112 -0.580 4.175 1.00 0.00 O ATOM 620 CB TRP A 395 -12.588 -2.233 3.105 1.00 0.00 C ATOM 621 CG TRP A 395 -13.147 -3.612 2.918 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.489 -4.495 3.901 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.421 -4.269 1.673 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.967 -5.657 3.346 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.933 -5.544 1.982 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.284 -3.906 0.330 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.310 -6.453 0.997 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.659 -4.811 -0.647 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.167 -6.070 -0.309 1.00 0.00 C ATOM 0 H TRP A 395 -12.237 0.224 3.525 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.573 -1.284 1.436 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.600 -2.186 2.648 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.455 -2.045 4.170 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.397 -4.307 4.961 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.294 -6.472 3.866 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.892 -2.936 0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.701 -7.426 1.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.558 -4.541 -1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.452 -6.754 -1.095 1.00 0.00 H new ATOM 640 N HIS A 396 -15.748 -1.938 2.494 1.00 0.00 N ATOM 641 CA HIS A 396 -17.110 -2.109 2.982 1.00 0.00 C ATOM 642 C HIS A 396 -17.512 -3.577 2.882 1.00 0.00 C ATOM 643 O HIS A 396 -17.609 -4.135 1.783 1.00 0.00 O ATOM 644 CB HIS A 396 -18.082 -1.231 2.193 1.00 0.00 C ATOM 645 CG HIS A 396 -17.866 0.237 2.401 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.968 0.842 3.638 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.552 1.224 1.528 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.727 2.134 3.515 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.472 2.392 2.245 1.00 0.00 N ATOM 0 H HIS A 396 -15.547 -2.443 1.631 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.151 -1.800 4.027 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.984 -1.458 1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.103 -1.484 2.480 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -17.394 1.113 0.465 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.737 2.857 4.317 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -17.251 3.310 1.859 1.00 0.00 H new ATOM 658 N ASN A 397 -17.714 -4.193 4.046 1.00 0.00 N ATOM 659 CA ASN A 397 -18.072 -5.606 4.143 1.00 0.00 C ATOM 660 C ASN A 397 -19.510 -5.881 3.704 1.00 0.00 C ATOM 661 O ASN A 397 -20.440 -5.174 4.091 1.00 0.00 O ATOM 662 CB ASN A 397 -17.863 -6.087 5.583 1.00 0.00 C ATOM 663 CG ASN A 397 -18.340 -7.509 5.804 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.539 -7.785 5.778 1.00 0.00 O ATOM 665 ND2 ASN A 397 -17.399 -8.422 6.024 1.00 0.00 N ATOM 0 H ASN A 397 -17.634 -3.725 4.949 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.422 -6.156 3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -16.804 -6.021 5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.393 -5.421 6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.660 -9.396 6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.416 -8.149 6.037 1.00 0.00 H new ATOM 672 N ASP A 398 -19.670 -6.938 2.906 1.00 0.00 N ATOM 673 CA ASP A 398 -20.976 -7.362 2.407 1.00 0.00 C ATOM 674 C ASP A 398 -21.807 -6.192 1.888 1.00 0.00 C ATOM 675 O ASP A 398 -23.029 -6.174 2.042 1.00 0.00 O ATOM 676 CB ASP A 398 -21.744 -8.111 3.497 1.00 0.00 C ATOM 677 CG ASP A 398 -21.170 -9.489 3.761 1.00 0.00 C ATOM 678 OD1 ASP A 398 -19.963 -9.583 4.065 1.00 0.00 O ATOM 679 OD2 ASP A 398 -21.930 -10.475 3.665 1.00 0.00 O ATOM 0 H ASP A 398 -18.897 -7.523 2.588 1.00 0.00 H new ATOM 0 HA ASP A 398 -20.796 -8.031 1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -21.724 -7.529 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.789 -8.205 3.203 1.00 0.00 H new ATOM 684 N ALA A 399 -21.148 -5.230 1.254 1.00 0.00 N ATOM 685 CA ALA A 399 -21.847 -4.081 0.696 1.00 0.00 C ATOM 686 C ALA A 399 -22.570 -4.486 -0.583 1.00 0.00 C ATOM 687 O ALA A 399 -22.869 -5.663 -0.784 1.00 0.00 O ATOM 688 CB ALA A 399 -20.862 -2.950 0.422 1.00 0.00 C ATOM 0 H ALA A 399 -20.138 -5.223 1.114 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.585 -3.727 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.396 -2.096 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.378 -2.656 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.108 -3.289 -0.288 1.00 0.00 H new ATOM 694 N GLU A 400 -22.827 -3.522 -1.459 1.00 0.00 N ATOM 695 CA GLU A 400 -23.483 -3.810 -2.728 1.00 0.00 C ATOM 696 C GLU A 400 -22.469 -4.392 -3.706 1.00 0.00 C ATOM 697 O GLU A 400 -22.053 -3.725 -4.653 1.00 0.00 O ATOM 698 CB GLU A 400 -24.152 -2.559 -3.316 1.00 0.00 C ATOM 699 CG GLU A 400 -23.301 -1.301 -3.245 1.00 0.00 C ATOM 700 CD GLU A 400 -23.283 -0.684 -1.859 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.369 -0.328 -1.355 1.00 0.00 O ATOM 702 OE2 GLU A 400 -22.186 -0.559 -1.278 1.00 0.00 O ATOM 0 H GLU A 400 -22.593 -2.540 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.271 -4.541 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.406 -2.753 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.088 -2.380 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -22.281 -1.540 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -23.680 -0.570 -3.959 1.00 0.00 H new ATOM 709 N ASN A 401 -22.055 -5.633 -3.427 1.00 0.00 N ATOM 710 CA ASN A 401 -21.059 -6.343 -4.228 1.00 0.00 C ATOM 711 C ASN A 401 -19.662 -5.922 -3.795 1.00 0.00 C ATOM 712 O ASN A 401 -18.762 -5.754 -4.617 1.00 0.00 O ATOM 713 CB ASN A 401 -21.257 -6.093 -5.729 1.00 0.00 C ATOM 714 CG ASN A 401 -22.614 -6.556 -6.236 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.924 -6.413 -7.420 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.435 -7.112 -5.349 1.00 0.00 N ATOM 0 H ASN A 401 -22.405 -6.173 -2.635 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.183 -7.413 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.144 -5.028 -5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.473 -6.608 -6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.357 -7.437 -5.641 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.143 -7.213 -4.377 1.00 0.00 H new ATOM 723 N LYS A 402 -19.503 -5.756 -2.480 1.00 0.00 N ATOM 724 CA LYS A 402 -18.231 -5.354 -1.882 1.00 0.00 C ATOM 725 C LYS A 402 -17.817 -3.963 -2.353 1.00 0.00 C ATOM 726 O LYS A 402 -17.842 -3.668 -3.548 1.00 0.00 O ATOM 727 CB LYS A 402 -17.131 -6.372 -2.205 1.00 0.00 C ATOM 728 CG LYS A 402 -17.303 -7.713 -1.504 1.00 0.00 C ATOM 729 CD LYS A 402 -18.542 -8.456 -1.978 1.00 0.00 C ATOM 730 CE LYS A 402 -18.713 -9.778 -1.247 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.931 -10.509 -1.695 1.00 0.00 N ATOM 0 H LYS A 402 -20.252 -5.897 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.369 -5.322 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.108 -6.537 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.166 -5.949 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.422 -8.329 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.368 -7.552 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.423 -7.835 -1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.470 -8.639 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.834 -10.401 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.774 -9.594 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.010 -11.405 -1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.773 -9.926 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.862 -10.708 -2.713 1.00 0.00 H new ATOM 745 N LYS A 403 -17.446 -3.103 -1.407 1.00 0.00 N ATOM 746 CA LYS A 403 -17.042 -1.742 -1.746 1.00 0.00 C ATOM 747 C LYS A 403 -15.634 -1.415 -1.256 1.00 0.00 C ATOM 748 O LYS A 403 -15.243 -1.784 -0.152 1.00 0.00 O ATOM 749 CB LYS A 403 -18.035 -0.738 -1.169 1.00 0.00 C ATOM 750 CG LYS A 403 -19.304 -0.601 -1.990 1.00 0.00 C ATOM 751 CD LYS A 403 -19.023 0.050 -3.336 1.00 0.00 C ATOM 752 CE LYS A 403 -20.299 0.274 -4.129 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.270 1.131 -3.392 1.00 0.00 N ATOM 0 H LYS A 403 -17.417 -3.321 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.036 -1.672 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.298 -1.041 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.553 0.237 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.748 -1.585 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.033 -0.005 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.519 1.004 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.344 -0.580 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.056 0.740 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.761 -0.688 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.170 1.162 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.432 0.736 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.887 2.094 -3.305 1.00 0.00 H new ATOM 767 N CYS A 404 -14.889 -0.698 -2.092 1.00 0.00 N ATOM 768 CA CYS A 404 -13.527 -0.285 -1.772 1.00 0.00 C ATOM 769 C CYS A 404 -13.255 1.093 -2.369 1.00 0.00 C ATOM 770 O CYS A 404 -12.421 1.241 -3.259 1.00 0.00 O ATOM 771 CB CYS A 404 -12.504 -1.293 -2.312 1.00 0.00 C ATOM 772 SG CYS A 404 -10.780 -0.901 -1.872 1.00 0.00 S ATOM 0 H CYS A 404 -15.212 -0.388 -3.008 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.427 -0.243 -0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.750 -2.284 -1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.591 -1.338 -3.398 1.00 0.00 H new ATOM 777 N THR A 405 -13.988 2.097 -1.891 1.00 0.00 N ATOM 778 CA THR A 405 -13.842 3.459 -2.399 1.00 0.00 C ATOM 779 C THR A 405 -12.767 4.242 -1.648 1.00 0.00 C ATOM 780 O THR A 405 -12.761 4.288 -0.423 1.00 0.00 O ATOM 781 CB THR A 405 -15.168 4.232 -2.317 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.568 4.379 -0.950 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.263 3.513 -3.095 1.00 0.00 C ATOM 0 H THR A 405 -14.687 1.993 -1.155 1.00 0.00 H new ATOM 0 HA THR A 405 -13.540 3.362 -3.442 1.00 0.00 H new ATOM 0 HB THR A 405 -15.015 5.217 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.773 4.423 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.192 4.079 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.970 3.429 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.411 2.517 -2.678 1.00 0.00 H new ATOM 791 N LEU A 406 -11.873 4.870 -2.404 1.00 0.00 N ATOM 792 CA LEU A 406 -10.787 5.664 -1.837 1.00 0.00 C ATOM 793 C LEU A 406 -11.331 6.798 -0.978 1.00 0.00 C ATOM 794 O LEU A 406 -12.376 7.375 -1.276 1.00 0.00 O ATOM 795 CB LEU A 406 -9.918 6.222 -2.968 1.00 0.00 C ATOM 796 CG LEU A 406 -8.575 6.839 -2.559 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.764 8.187 -1.887 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.807 5.895 -1.654 1.00 0.00 C ATOM 0 H LEU A 406 -11.880 4.844 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.181 5.022 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.722 5.417 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.494 6.980 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.994 7.000 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.792 8.595 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.262 8.870 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.374 8.065 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.857 6.351 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.392 5.696 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.619 4.959 -2.180 1.00 0.00 H new ATOM 810 N ASP A 407 -10.602 7.117 0.084 1.00 0.00 N ATOM 811 CA ASP A 407 -10.994 8.190 0.989 1.00 0.00 C ATOM 812 C ASP A 407 -9.844 9.172 1.176 1.00 0.00 C ATOM 813 O ASP A 407 -8.711 8.770 1.436 1.00 0.00 O ATOM 814 CB ASP A 407 -11.422 7.619 2.339 1.00 0.00 C ATOM 815 CG ASP A 407 -11.902 8.691 3.296 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.870 9.404 2.955 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.311 8.819 4.390 1.00 0.00 O ATOM 0 H ASP A 407 -9.734 6.647 0.340 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.840 8.720 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.218 6.890 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.583 7.086 2.787 1.00 0.00 H new ATOM 822 N LYS A 408 -10.140 10.459 1.032 1.00 0.00 N ATOM 823 CA LYS A 408 -9.127 11.497 1.176 1.00 0.00 C ATOM 824 C LYS A 408 -8.532 11.495 2.580 1.00 0.00 C ATOM 825 O LYS A 408 -7.313 11.551 2.743 1.00 0.00 O ATOM 826 CB LYS A 408 -9.726 12.870 0.869 1.00 0.00 C ATOM 827 CG LYS A 408 -10.383 12.963 -0.501 1.00 0.00 C ATOM 828 CD LYS A 408 -9.381 12.750 -1.628 1.00 0.00 C ATOM 829 CE LYS A 408 -8.334 13.851 -1.665 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.942 15.188 -1.906 1.00 0.00 N ATOM 0 H LYS A 408 -11.074 10.808 0.816 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.329 11.286 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.465 13.112 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.940 13.622 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.176 12.218 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.852 13.940 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.890 11.785 -1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.908 12.716 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -7.789 13.865 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -7.608 13.636 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -8.199 15.864 -2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.641 15.118 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -9.411 15.517 -1.038 1.00 0.00 H new ATOM 844 N GLU A 409 -9.396 11.431 3.588 1.00 0.00 N ATOM 845 CA GLU A 409 -8.956 11.423 4.975 1.00 0.00 C ATOM 846 C GLU A 409 -7.988 10.273 5.232 1.00 0.00 C ATOM 847 O GLU A 409 -6.934 10.461 5.841 1.00 0.00 O ATOM 848 CB GLU A 409 -10.167 11.313 5.903 1.00 0.00 C ATOM 849 CG GLU A 409 -9.810 11.299 7.377 1.00 0.00 C ATOM 850 CD GLU A 409 -9.180 12.598 7.846 1.00 0.00 C ATOM 851 OE1 GLU A 409 -8.095 12.953 7.340 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.776 13.262 8.721 1.00 0.00 O ATOM 0 H GLU A 409 -10.408 11.384 3.468 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.433 12.358 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.838 12.150 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.715 10.402 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.710 11.106 7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.121 10.477 7.571 1.00 0.00 H new ATOM 859 N GLU A 410 -8.347 9.087 4.754 1.00 0.00 N ATOM 860 CA GLU A 410 -7.502 7.911 4.924 1.00 0.00 C ATOM 861 C GLU A 410 -6.163 8.116 4.229 1.00 0.00 C ATOM 862 O GLU A 410 -5.108 7.850 4.804 1.00 0.00 O ATOM 863 CB GLU A 410 -8.199 6.665 4.375 1.00 0.00 C ATOM 864 CG GLU A 410 -9.476 6.309 5.116 1.00 0.00 C ATOM 865 CD GLU A 410 -10.128 5.049 4.581 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.479 3.983 4.617 1.00 0.00 O ATOM 867 OE2 GLU A 410 -11.289 5.128 4.129 1.00 0.00 O ATOM 0 H GLU A 410 -9.215 8.915 4.247 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.324 7.766 5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.431 6.823 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.511 5.821 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.253 6.177 6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -10.179 7.138 5.040 1.00 0.00 H new ATOM 874 N ALA A 411 -6.214 8.603 2.993 1.00 0.00 N ATOM 875 CA ALA A 411 -5.005 8.862 2.220 1.00 0.00 C ATOM 876 C ALA A 411 -4.050 9.757 2.997 1.00 0.00 C ATOM 877 O ALA A 411 -2.839 9.540 2.997 1.00 0.00 O ATOM 878 CB ALA A 411 -5.362 9.504 0.888 1.00 0.00 C ATOM 0 H ALA A 411 -7.081 8.826 2.505 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.507 7.911 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.451 9.693 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.010 8.834 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.881 10.446 1.066 1.00 0.00 H new ATOM 884 N LYS A 412 -4.609 10.763 3.661 1.00 0.00 N ATOM 885 CA LYS A 412 -3.816 11.696 4.451 1.00 0.00 C ATOM 886 C LYS A 412 -3.067 10.968 5.562 1.00 0.00 C ATOM 887 O LYS A 412 -1.888 11.224 5.800 1.00 0.00 O ATOM 888 CB LYS A 412 -4.721 12.771 5.049 1.00 0.00 C ATOM 889 CG LYS A 412 -5.435 13.610 4.002 1.00 0.00 C ATOM 890 CD LYS A 412 -6.452 14.541 4.636 1.00 0.00 C ATOM 891 CE LYS A 412 -7.115 15.431 3.595 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.104 16.361 4.206 1.00 0.00 N ATOM 0 H LYS A 412 -5.611 10.953 3.667 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.083 12.166 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.463 12.295 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.124 13.426 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -4.705 14.194 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.935 12.955 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.212 13.955 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -5.962 15.160 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.352 16.006 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.613 14.810 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.533 16.949 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -8.847 15.812 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.625 16.972 4.898 1.00 0.00 H new