USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HD1:sc= -2.08! C(o=-1.4!,f=-5.7!) USER MOD Set 1.2: A 405 THR OG1 : rot 180:sc= 0.661 USER MOD Set 2.1: A 384 LYS NZ :NH3+ -174:sc= -1.47 (180deg=0) USER MOD Set 2.2: A 390 LYS NZ :NH3+ 144:sc= -1.63 (180deg=-0.243) USER MOD Set 3.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -2.81! C(o=-7!,f=-2.8!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN :FLIP amide:sc= 0.608 F(o=0,f=0.61) USER MOD Single : A 387 ASN : amide:sc= -1 K(o=-1,f=-3.3!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -148:sc= 0.0487 (180deg=0) USER MOD Single : A 397 ASN :FLIP amide:sc= -0.622 F(o=-6.2!,f=-0.62) USER MOD Single : A 401 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.076) USER MOD Single : A 402 LYS NZ :NH3+ 167:sc= -0.0312 (180deg=-0.211) USER MOD Single : A 403 LYS NZ :NH3+ -169:sc=-0.00482 (180deg=-0.172) USER MOD Single : A 408 LYS NZ :NH3+ 167:sc= -0.0218 (180deg=-0.256) USER MOD Single : A 412 LYS NZ :NH3+ -168:sc= -0.0188 (180deg=-0.173) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.295 5.782 -3.181 1.00 0.00 N ATOM 340 CA GLU A 376 -3.952 5.664 -4.472 1.00 0.00 C ATOM 341 C GLU A 376 -5.072 6.692 -4.599 1.00 0.00 C ATOM 342 O GLU A 376 -4.986 7.787 -4.042 1.00 0.00 O ATOM 343 CB GLU A 376 -4.497 4.244 -4.644 1.00 0.00 C ATOM 344 CG GLU A 376 -3.446 3.165 -4.442 1.00 0.00 C ATOM 345 CD GLU A 376 -2.340 3.211 -5.481 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.417 4.053 -6.401 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.398 2.397 -5.378 1.00 0.00 O ATOM 0 HA GLU A 376 -3.226 5.861 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.310 4.086 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.922 4.144 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.009 3.273 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.927 2.187 -4.474 1.00 0.00 H new ATOM 354 N THR A 377 -6.116 6.340 -5.335 1.00 0.00 N ATOM 355 CA THR A 377 -7.242 7.238 -5.538 1.00 0.00 C ATOM 356 C THR A 377 -8.546 6.461 -5.625 1.00 0.00 C ATOM 357 O THR A 377 -8.544 5.255 -5.870 1.00 0.00 O ATOM 358 CB THR A 377 -7.064 8.080 -6.814 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.044 7.229 -7.966 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.773 8.885 -6.752 1.00 0.00 C ATOM 0 H THR A 377 -6.206 5.438 -5.802 1.00 0.00 H new ATOM 0 HA THR A 377 -7.279 7.907 -4.678 1.00 0.00 H new ATOM 0 HB THR A 377 -7.905 8.770 -6.888 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.932 7.774 -8.773 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.667 9.473 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.802 9.553 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.925 8.206 -6.657 1.00 0.00 H new ATOM 368 N GLU A 378 -9.654 7.160 -5.403 1.00 0.00 N ATOM 369 CA GLU A 378 -10.974 6.542 -5.438 1.00 0.00 C ATOM 370 C GLU A 378 -11.119 5.631 -6.648 1.00 0.00 C ATOM 371 O GLU A 378 -11.694 4.548 -6.559 1.00 0.00 O ATOM 372 CB GLU A 378 -12.061 7.617 -5.462 1.00 0.00 C ATOM 373 CG GLU A 378 -13.474 7.058 -5.377 1.00 0.00 C ATOM 374 CD GLU A 378 -14.535 8.143 -5.400 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.168 9.334 -5.466 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.735 7.799 -5.351 1.00 0.00 O ATOM 0 H GLU A 378 -9.663 8.159 -5.196 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.087 5.938 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.900 8.303 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.964 8.199 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.641 6.375 -6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.576 6.475 -4.461 1.00 0.00 H new ATOM 383 N GLY A 379 -10.596 6.086 -7.778 1.00 0.00 N ATOM 384 CA GLY A 379 -10.679 5.309 -8.999 1.00 0.00 C ATOM 385 C GLY A 379 -9.940 3.990 -8.922 1.00 0.00 C ATOM 386 O GLY A 379 -10.428 2.975 -9.420 1.00 0.00 O ATOM 0 H GLY A 379 -10.115 6.981 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.727 5.117 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.274 5.896 -9.823 1.00 0.00 H new ATOM 390 N SER A 380 -8.761 3.996 -8.312 1.00 0.00 N ATOM 391 CA SER A 380 -7.965 2.778 -8.193 1.00 0.00 C ATOM 392 C SER A 380 -8.619 1.777 -7.246 1.00 0.00 C ATOM 393 O SER A 380 -8.758 0.597 -7.570 1.00 0.00 O ATOM 394 CB SER A 380 -6.561 3.106 -7.704 1.00 0.00 C ATOM 395 OG SER A 380 -5.948 4.083 -8.525 1.00 0.00 O ATOM 0 H SER A 380 -8.336 4.824 -7.894 1.00 0.00 H new ATOM 0 HA SER A 380 -7.905 2.325 -9.183 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.606 3.467 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.955 2.200 -7.697 1.00 0.00 H new ATOM 0 HG SER A 380 -5.048 4.276 -8.188 1.00 0.00 H new ATOM 401 N CYS A 381 -9.005 2.259 -6.070 1.00 0.00 N ATOM 402 CA CYS A 381 -9.632 1.419 -5.053 1.00 0.00 C ATOM 403 C CYS A 381 -10.855 0.684 -5.593 1.00 0.00 C ATOM 404 O CYS A 381 -10.998 -0.523 -5.394 1.00 0.00 O ATOM 405 CB CYS A 381 -10.028 2.270 -3.851 1.00 0.00 C ATOM 406 SG CYS A 381 -8.625 3.117 -3.062 1.00 0.00 S ATOM 0 H CYS A 381 -8.894 3.235 -5.795 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.903 0.667 -4.751 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.758 3.014 -4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.519 1.635 -3.114 1.00 0.00 H new ATOM 411 N ASN A 382 -11.736 1.413 -6.272 1.00 0.00 N ATOM 412 CA ASN A 382 -12.945 0.819 -6.833 1.00 0.00 C ATOM 413 C ASN A 382 -12.596 -0.384 -7.695 1.00 0.00 C ATOM 414 O ASN A 382 -13.320 -1.380 -7.721 1.00 0.00 O ATOM 415 CB ASN A 382 -13.710 1.847 -7.671 1.00 0.00 C ATOM 416 CG ASN A 382 -14.113 3.077 -6.877 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.782 3.096 -5.591 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.718 4.003 -7.418 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.636 2.413 -6.447 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.577 0.494 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.091 2.153 -8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.604 1.379 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.953 3.949 -8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.984 4.825 -6.875 1.00 0.00 H new ATOM 425 N LYS A 383 -11.482 -0.277 -8.404 1.00 0.00 N ATOM 426 CA LYS A 383 -11.023 -1.343 -9.278 1.00 0.00 C ATOM 427 C LYS A 383 -10.403 -2.483 -8.479 1.00 0.00 C ATOM 428 O LYS A 383 -10.524 -3.649 -8.854 1.00 0.00 O ATOM 429 CB LYS A 383 -10.014 -0.793 -10.286 1.00 0.00 C ATOM 430 CG LYS A 383 -10.536 0.397 -11.079 1.00 0.00 C ATOM 431 CD LYS A 383 -11.812 0.055 -11.837 1.00 0.00 C ATOM 432 CE LYS A 383 -11.578 -1.044 -12.863 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.822 -1.378 -13.610 1.00 0.00 N ATOM 0 H LYS A 383 -10.877 0.544 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.885 -1.740 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.108 -0.498 -9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.735 -1.587 -10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.727 1.229 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.772 0.728 -11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.580 -0.263 -11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.188 0.947 -12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.807 -0.727 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.205 -1.937 -12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.622 -2.131 -14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.550 -1.704 -12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.164 -0.533 -14.110 1.00 0.00 H new ATOM 447 N LYS A 384 -9.728 -2.143 -7.382 1.00 0.00 N ATOM 448 CA LYS A 384 -9.084 -3.141 -6.553 1.00 0.00 C ATOM 449 C LYS A 384 -10.078 -4.095 -5.931 1.00 0.00 C ATOM 450 O LYS A 384 -11.218 -3.740 -5.632 1.00 0.00 O ATOM 451 CB LYS A 384 -8.268 -2.474 -5.460 1.00 0.00 C ATOM 452 CG LYS A 384 -7.126 -1.674 -6.016 1.00 0.00 C ATOM 453 CD LYS A 384 -6.195 -2.544 -6.801 1.00 0.00 C ATOM 454 CE LYS A 384 -5.722 -1.801 -8.015 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.404 -1.140 -7.801 1.00 0.00 N ATOM 0 H LYS A 384 -9.617 -1.184 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.427 -3.719 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.914 -1.822 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.881 -3.235 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.511 -0.878 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.582 -1.195 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.344 -2.834 -6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.701 -3.462 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.646 -2.493 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.462 -1.049 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.169 -0.558 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.452 -0.536 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.670 -1.864 -7.667 1.00 0.00 H new ATOM 469 N ASP A 385 -9.605 -5.301 -5.714 1.00 0.00 N ATOM 470 CA ASP A 385 -10.405 -6.347 -5.087 1.00 0.00 C ATOM 471 C ASP A 385 -10.185 -6.300 -3.587 1.00 0.00 C ATOM 472 O ASP A 385 -9.339 -5.547 -3.116 1.00 0.00 O ATOM 473 CB ASP A 385 -10.038 -7.726 -5.636 1.00 0.00 C ATOM 474 CG ASP A 385 -10.197 -7.812 -7.141 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.319 -7.580 -7.635 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.198 -8.113 -7.827 1.00 0.00 O ATOM 0 H ASP A 385 -8.659 -5.591 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.457 -6.174 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.007 -7.957 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.667 -8.481 -5.164 1.00 0.00 H new ATOM 481 N GLN A 386 -10.936 -7.095 -2.837 1.00 0.00 N ATOM 482 CA GLN A 386 -10.792 -7.108 -1.383 1.00 0.00 C ATOM 483 C GLN A 386 -9.316 -7.200 -0.998 1.00 0.00 C ATOM 484 O GLN A 386 -8.811 -6.383 -0.228 1.00 0.00 O ATOM 485 CB GLN A 386 -11.577 -8.275 -0.775 1.00 0.00 C ATOM 486 CG GLN A 386 -11.638 -8.243 0.745 1.00 0.00 C ATOM 487 CD GLN A 386 -12.411 -9.412 1.325 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.736 -10.230 2.125 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -13.601 -9.579 1.056 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.643 -7.733 -3.203 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.198 -6.178 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.592 -8.264 -1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.121 -9.213 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.624 -8.249 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.102 -7.311 1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.080 -8.926 0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.107 -10.371 1.453 1.00 0.00 H new ATOM 498 N ASN A 387 -8.626 -8.187 -1.560 1.00 0.00 N ATOM 499 CA ASN A 387 -7.205 -8.383 -1.295 1.00 0.00 C ATOM 500 C ASN A 387 -6.367 -7.232 -1.849 1.00 0.00 C ATOM 501 O ASN A 387 -5.374 -6.829 -1.242 1.00 0.00 O ATOM 502 CB ASN A 387 -6.738 -9.706 -1.907 1.00 0.00 C ATOM 503 CG ASN A 387 -5.230 -9.872 -1.865 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.490 -9.106 -2.483 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.765 -10.877 -1.138 1.00 0.00 N ATOM 0 H ASN A 387 -9.030 -8.866 -2.205 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.067 -8.410 -0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.205 -10.533 -1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.077 -9.762 -2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.760 -11.039 -1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.412 -11.489 -0.641 1.00 0.00 H new ATOM 512 N GLU A 388 -6.759 -6.718 -3.011 1.00 0.00 N ATOM 513 CA GLU A 388 -6.027 -5.632 -3.654 1.00 0.00 C ATOM 514 C GLU A 388 -6.398 -4.279 -3.077 1.00 0.00 C ATOM 515 O GLU A 388 -5.759 -3.274 -3.392 1.00 0.00 O ATOM 516 CB GLU A 388 -6.266 -5.651 -5.163 1.00 0.00 C ATOM 517 CG GLU A 388 -5.792 -6.932 -5.830 1.00 0.00 C ATOM 518 CD GLU A 388 -5.931 -6.892 -7.339 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.359 -5.974 -7.963 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.605 -7.782 -7.897 1.00 0.00 O ATOM 0 H GLU A 388 -7.580 -7.036 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.967 -5.791 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.331 -5.521 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.753 -4.802 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.748 -7.107 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.364 -7.774 -5.439 1.00 0.00 H new ATOM 527 N CYS A 389 -7.412 -4.240 -2.220 1.00 0.00 N ATOM 528 CA CYS A 389 -7.801 -2.980 -1.618 1.00 0.00 C ATOM 529 C CYS A 389 -6.658 -2.474 -0.761 1.00 0.00 C ATOM 530 O CYS A 389 -6.346 -3.047 0.282 1.00 0.00 O ATOM 531 CB CYS A 389 -9.061 -3.121 -0.780 1.00 0.00 C ATOM 532 SG CYS A 389 -9.674 -1.524 -0.177 1.00 0.00 S ATOM 0 H CYS A 389 -7.965 -5.048 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.020 -2.268 -2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.837 -3.604 -1.374 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.858 -3.773 0.069 1.00 0.00 H new ATOM 537 N LYS A 390 -6.016 -1.419 -1.226 1.00 0.00 N ATOM 538 CA LYS A 390 -4.877 -0.853 -0.521 1.00 0.00 C ATOM 539 C LYS A 390 -5.293 -0.087 0.731 1.00 0.00 C ATOM 540 O LYS A 390 -6.463 0.250 0.912 1.00 0.00 O ATOM 541 CB LYS A 390 -4.059 0.007 -1.471 1.00 0.00 C ATOM 542 CG LYS A 390 -3.417 -0.815 -2.584 1.00 0.00 C ATOM 543 CD LYS A 390 -2.597 0.052 -3.524 1.00 0.00 C ATOM 544 CE LYS A 390 -1.917 -0.781 -4.599 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.899 -1.562 -5.401 1.00 0.00 N ATOM 0 H LYS A 390 -6.263 -0.935 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.251 -1.674 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.700 0.771 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.282 0.526 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -2.778 -1.582 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.193 -1.331 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.243 0.795 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -1.845 0.597 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.348 -0.127 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.205 -1.462 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.582 -1.606 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.972 -2.526 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.830 -1.100 -5.356 1.00 0.00 H new ATOM 559 N SER A 391 -4.321 0.148 1.610 1.00 0.00 N ATOM 560 CA SER A 391 -4.560 0.838 2.879 1.00 0.00 C ATOM 561 C SER A 391 -5.343 2.140 2.696 1.00 0.00 C ATOM 562 O SER A 391 -6.380 2.325 3.331 1.00 0.00 O ATOM 563 CB SER A 391 -3.234 1.114 3.594 1.00 0.00 C ATOM 564 OG SER A 391 -3.449 1.759 4.837 1.00 0.00 O ATOM 0 H SER A 391 -3.351 -0.132 1.466 1.00 0.00 H new ATOM 0 HA SER A 391 -5.171 0.177 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.702 0.176 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.600 1.736 2.963 1.00 0.00 H new ATOM 0 HG SER A 391 -2.587 1.923 5.274 1.00 0.00 H new ATOM 570 N PRO A 392 -4.874 3.067 1.832 1.00 0.00 N ATOM 571 CA PRO A 392 -5.561 4.335 1.595 1.00 0.00 C ATOM 572 C PRO A 392 -7.049 4.130 1.337 1.00 0.00 C ATOM 573 O PRO A 392 -7.878 4.965 1.701 1.00 0.00 O ATOM 574 CB PRO A 392 -4.865 4.893 0.342 1.00 0.00 C ATOM 575 CG PRO A 392 -4.012 3.788 -0.176 1.00 0.00 C ATOM 576 CD PRO A 392 -3.657 2.976 1.020 1.00 0.00 C ATOM 0 HA PRO A 392 -5.505 5.003 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.595 5.205 -0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.264 5.769 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.547 3.190 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.120 4.176 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.420 1.945 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.789 3.379 1.542 1.00 0.00 H new ATOM 584 N CYS A 393 -7.373 3.007 0.709 1.00 0.00 N ATOM 585 CA CYS A 393 -8.752 2.663 0.393 1.00 0.00 C ATOM 586 C CYS A 393 -9.541 2.347 1.665 1.00 0.00 C ATOM 587 O CYS A 393 -9.125 2.699 2.769 1.00 0.00 O ATOM 588 CB CYS A 393 -8.766 1.455 -0.545 1.00 0.00 C ATOM 589 SG CYS A 393 -7.715 1.644 -2.018 1.00 0.00 S ATOM 0 H CYS A 393 -6.690 2.312 0.406 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.225 3.515 -0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.441 0.575 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.791 1.269 -0.865 1.00 0.00 H new ATOM 594 N LYS A 394 -10.679 1.672 1.502 1.00 0.00 N ATOM 595 CA LYS A 394 -11.523 1.295 2.635 1.00 0.00 C ATOM 596 C LYS A 394 -12.579 0.276 2.209 1.00 0.00 C ATOM 597 O LYS A 394 -13.322 0.495 1.252 1.00 0.00 O ATOM 598 CB LYS A 394 -12.185 2.537 3.240 1.00 0.00 C ATOM 599 CG LYS A 394 -12.995 2.250 4.496 1.00 0.00 C ATOM 600 CD LYS A 394 -13.454 3.533 5.175 1.00 0.00 C ATOM 601 CE LYS A 394 -14.362 4.357 4.275 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.800 5.621 4.932 1.00 0.00 N ATOM 0 H LYS A 394 -11.038 1.375 0.595 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.893 0.832 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.414 3.270 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.838 2.990 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.863 1.644 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.393 1.665 5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.982 3.287 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.584 4.127 5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.838 4.592 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.237 3.767 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.754 5.872 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.815 5.489 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.138 6.385 4.690 1.00 0.00 H new ATOM 616 N TRP A 395 -12.615 -0.855 2.915 1.00 0.00 N ATOM 617 CA TRP A 395 -13.550 -1.938 2.608 1.00 0.00 C ATOM 618 C TRP A 395 -14.968 -1.620 3.071 1.00 0.00 C ATOM 619 O TRP A 395 -15.170 -1.089 4.164 1.00 0.00 O ATOM 620 CB TRP A 395 -13.075 -3.239 3.262 1.00 0.00 C ATOM 621 CG TRP A 395 -13.784 -4.469 2.766 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.390 -5.430 3.524 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.940 -4.878 1.402 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.916 -6.408 2.712 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.650 -6.091 1.405 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.548 -4.334 0.181 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.973 -6.766 0.228 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.866 -4.998 -0.984 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.573 -6.205 -0.956 1.00 0.00 C ATOM 0 H TRP A 395 -12.003 -1.045 3.708 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.572 -2.052 1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -12.005 -3.353 3.085 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.213 -3.163 4.340 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.448 -5.423 4.602 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.422 -7.235 3.031 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.001 -3.403 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.519 -7.698 0.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.565 -4.580 -1.933 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.808 -6.704 -1.885 1.00 0.00 H new ATOM 640 N HIS A 396 -15.947 -1.965 2.238 1.00 0.00 N ATOM 641 CA HIS A 396 -17.347 -1.737 2.569 1.00 0.00 C ATOM 642 C HIS A 396 -18.134 -3.040 2.522 1.00 0.00 C ATOM 643 O HIS A 396 -18.557 -3.481 1.448 1.00 0.00 O ATOM 644 CB HIS A 396 -17.977 -0.726 1.608 1.00 0.00 C ATOM 645 CG HIS A 396 -17.348 0.628 1.675 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.346 1.399 2.818 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.695 1.352 0.735 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.721 2.536 2.578 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.316 2.533 1.322 1.00 0.00 N ATOM 0 H HIS A 396 -15.794 -2.403 1.330 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.384 -1.335 3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.897 -1.106 0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.040 -0.636 1.832 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.507 1.055 -0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.567 3.334 3.289 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.804 3.286 0.862 1.00 0.00 H new ATOM 658 N ASN A 397 -18.340 -3.641 3.693 1.00 0.00 N ATOM 659 CA ASN A 397 -19.094 -4.883 3.790 1.00 0.00 C ATOM 660 C ASN A 397 -20.585 -4.578 3.924 1.00 0.00 C ATOM 661 O ASN A 397 -21.116 -4.478 5.031 1.00 0.00 O ATOM 662 CB ASN A 397 -18.608 -5.720 4.979 1.00 0.00 C ATOM 663 CG ASN A 397 -18.615 -4.967 6.304 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.016 -3.699 6.282 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -18.260 -5.526 7.342 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.995 -3.286 4.585 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.933 -5.461 2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.239 -6.604 5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.596 -6.070 4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.959 -6.500 7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -18.267 -5.015 8.225 1.00 0.00 H new ATOM 672 N ASP A 398 -21.246 -4.427 2.783 1.00 0.00 N ATOM 673 CA ASP A 398 -22.674 -4.120 2.741 1.00 0.00 C ATOM 674 C ASP A 398 -23.113 -3.930 1.297 1.00 0.00 C ATOM 675 O ASP A 398 -24.258 -4.210 0.938 1.00 0.00 O ATOM 676 CB ASP A 398 -22.979 -2.854 3.551 1.00 0.00 C ATOM 677 CG ASP A 398 -24.462 -2.534 3.596 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.046 -2.258 2.528 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.040 -2.563 4.703 1.00 0.00 O ATOM 0 H ASP A 398 -20.812 -4.513 1.864 1.00 0.00 H new ATOM 0 HA ASP A 398 -23.224 -4.951 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.607 -2.979 4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.442 -2.011 3.117 1.00 0.00 H new ATOM 684 N ALA A 399 -22.179 -3.453 0.476 1.00 0.00 N ATOM 685 CA ALA A 399 -22.429 -3.215 -0.939 1.00 0.00 C ATOM 686 C ALA A 399 -23.120 -4.414 -1.584 1.00 0.00 C ATOM 687 O ALA A 399 -23.048 -5.530 -1.069 1.00 0.00 O ATOM 688 CB ALA A 399 -21.119 -2.904 -1.653 1.00 0.00 C ATOM 0 H ALA A 399 -21.231 -3.222 0.775 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.095 -2.357 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.314 -2.727 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.667 -2.014 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.437 -3.748 -1.546 1.00 0.00 H new ATOM 694 N GLU A 400 -23.794 -4.173 -2.707 1.00 0.00 N ATOM 695 CA GLU A 400 -24.506 -5.227 -3.428 1.00 0.00 C ATOM 696 C GLU A 400 -23.648 -6.482 -3.548 1.00 0.00 C ATOM 697 O GLU A 400 -24.164 -7.596 -3.636 1.00 0.00 O ATOM 698 CB GLU A 400 -24.912 -4.739 -4.820 1.00 0.00 C ATOM 699 CG GLU A 400 -25.818 -3.518 -4.801 1.00 0.00 C ATOM 700 CD GLU A 400 -27.159 -3.788 -4.141 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.174 -4.114 -2.936 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.192 -3.671 -4.831 1.00 0.00 O ATOM 0 H GLU A 400 -23.862 -3.252 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.403 -5.475 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.013 -4.504 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.419 -5.548 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.316 -2.707 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.984 -3.179 -5.823 1.00 0.00 H new ATOM 709 N ASN A 401 -22.336 -6.288 -3.541 1.00 0.00 N ATOM 710 CA ASN A 401 -21.392 -7.391 -3.638 1.00 0.00 C ATOM 711 C ASN A 401 -20.066 -6.993 -3.010 1.00 0.00 C ATOM 712 O ASN A 401 -19.000 -7.436 -3.440 1.00 0.00 O ATOM 713 CB ASN A 401 -21.191 -7.778 -5.103 1.00 0.00 C ATOM 714 CG ASN A 401 -20.580 -6.654 -5.915 1.00 0.00 C ATOM 715 OD1 ASN A 401 -19.395 -6.343 -5.781 1.00 0.00 O ATOM 716 ND2 ASN A 401 -21.394 -6.022 -6.748 1.00 0.00 N ATOM 0 H ASN A 401 -21.900 -5.369 -3.468 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.790 -8.252 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.547 -8.656 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.151 -8.058 -5.538 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.046 -5.245 -7.310 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.368 -6.313 -6.828 1.00 0.00 H new ATOM 723 N LYS A 402 -20.153 -6.145 -1.985 1.00 0.00 N ATOM 724 CA LYS A 402 -18.976 -5.656 -1.272 1.00 0.00 C ATOM 725 C LYS A 402 -18.100 -4.820 -2.202 1.00 0.00 C ATOM 726 O LYS A 402 -17.775 -5.248 -3.310 1.00 0.00 O ATOM 727 CB LYS A 402 -18.169 -6.821 -0.686 1.00 0.00 C ATOM 728 CG LYS A 402 -18.898 -7.608 0.398 1.00 0.00 C ATOM 729 CD LYS A 402 -20.048 -8.431 -0.166 1.00 0.00 C ATOM 730 CE LYS A 402 -20.754 -9.226 0.921 1.00 0.00 C ATOM 731 NZ LYS A 402 -21.335 -8.343 1.968 1.00 0.00 N ATOM 0 H LYS A 402 -21.036 -5.780 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 402 -19.314 -5.027 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.898 -7.502 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -17.239 -6.431 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.193 -8.269 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -19.281 -6.918 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -20.763 -7.770 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.669 -9.112 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -21.545 -9.828 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -20.048 -9.918 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -21.987 -8.893 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.571 -7.955 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -21.854 -7.563 1.516 1.00 0.00 H new ATOM 745 N LYS A 403 -17.736 -3.616 -1.764 1.00 0.00 N ATOM 746 CA LYS A 403 -16.920 -2.731 -2.596 1.00 0.00 C ATOM 747 C LYS A 403 -15.920 -1.918 -1.776 1.00 0.00 C ATOM 748 O LYS A 403 -16.232 -1.451 -0.681 1.00 0.00 O ATOM 749 CB LYS A 403 -17.828 -1.778 -3.375 1.00 0.00 C ATOM 750 CG LYS A 403 -18.774 -2.478 -4.336 1.00 0.00 C ATOM 751 CD LYS A 403 -18.030 -3.109 -5.507 1.00 0.00 C ATOM 752 CE LYS A 403 -17.270 -2.068 -6.316 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.173 -1.021 -6.867 1.00 0.00 N ATOM 0 H LYS A 403 -17.988 -3.234 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.351 -3.362 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.413 -1.190 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.208 -1.078 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.330 -3.248 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.504 -1.762 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.333 -3.860 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.739 -3.626 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -16.514 -1.600 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -16.743 -2.559 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -17.653 -0.443 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.984 -1.473 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -18.513 -0.414 -6.094 1.00 0.00 H new ATOM 767 N CYS A 404 -14.719 -1.734 -2.328 1.00 0.00 N ATOM 768 CA CYS A 404 -13.682 -0.951 -1.663 1.00 0.00 C ATOM 769 C CYS A 404 -13.504 0.390 -2.365 1.00 0.00 C ATOM 770 O CYS A 404 -13.519 0.463 -3.593 1.00 0.00 O ATOM 771 CB CYS A 404 -12.349 -1.705 -1.624 1.00 0.00 C ATOM 772 SG CYS A 404 -11.646 -1.821 0.055 1.00 0.00 S ATOM 0 H CYS A 404 -14.443 -2.117 -3.232 1.00 0.00 H new ATOM 0 HA CYS A 404 -14.001 -0.779 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.494 -2.709 -2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.635 -1.204 -2.277 1.00 0.00 H new ATOM 777 N THR A 405 -13.347 1.453 -1.580 1.00 0.00 N ATOM 778 CA THR A 405 -13.180 2.790 -2.135 1.00 0.00 C ATOM 779 C THR A 405 -12.154 3.597 -1.349 1.00 0.00 C ATOM 780 O THR A 405 -11.972 3.397 -0.146 1.00 0.00 O ATOM 781 CB THR A 405 -14.512 3.564 -2.158 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.015 3.713 -0.827 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.544 2.850 -3.018 1.00 0.00 C ATOM 0 H THR A 405 -13.332 1.413 -0.561 1.00 0.00 H new ATOM 0 HA THR A 405 -12.826 2.657 -3.157 1.00 0.00 H new ATOM 0 HB THR A 405 -14.324 4.548 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.861 4.207 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.474 3.418 -3.017 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.172 2.766 -4.039 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.726 1.854 -2.615 1.00 0.00 H new ATOM 791 N LEU A 406 -11.485 4.508 -2.047 1.00 0.00 N ATOM 792 CA LEU A 406 -10.470 5.360 -1.448 1.00 0.00 C ATOM 793 C LEU A 406 -11.085 6.294 -0.416 1.00 0.00 C ATOM 794 O LEU A 406 -12.203 6.780 -0.586 1.00 0.00 O ATOM 795 CB LEU A 406 -9.762 6.159 -2.542 1.00 0.00 C ATOM 796 CG LEU A 406 -8.479 6.885 -2.129 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.792 8.125 -1.312 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.558 5.948 -1.364 1.00 0.00 C ATOM 0 H LEU A 406 -11.632 4.675 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.741 4.732 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.523 5.480 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.462 6.897 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.964 7.206 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.862 8.621 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.403 8.806 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.336 7.840 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.651 6.482 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.065 5.590 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.296 5.099 -1.996 1.00 0.00 H new ATOM 810 N ASP A 407 -10.340 6.537 0.652 1.00 0.00 N ATOM 811 CA ASP A 407 -10.797 7.413 1.724 1.00 0.00 C ATOM 812 C ASP A 407 -9.885 8.629 1.857 1.00 0.00 C ATOM 813 O ASP A 407 -8.660 8.502 1.837 1.00 0.00 O ATOM 814 CB ASP A 407 -10.849 6.646 3.045 1.00 0.00 C ATOM 815 CG ASP A 407 -11.428 7.474 4.176 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.583 7.929 4.046 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.727 7.665 5.191 1.00 0.00 O ATOM 0 H ASP A 407 -9.413 6.139 0.801 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.799 7.762 1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.449 5.745 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.843 6.323 3.314 1.00 0.00 H new ATOM 822 N LYS A 408 -10.489 9.807 1.986 1.00 0.00 N ATOM 823 CA LYS A 408 -9.731 11.047 2.116 1.00 0.00 C ATOM 824 C LYS A 408 -8.971 11.095 3.438 1.00 0.00 C ATOM 825 O LYS A 408 -7.793 11.452 3.474 1.00 0.00 O ATOM 826 CB LYS A 408 -10.656 12.265 2.007 1.00 0.00 C ATOM 827 CG LYS A 408 -11.319 12.427 0.645 1.00 0.00 C ATOM 828 CD LYS A 408 -12.374 11.359 0.395 1.00 0.00 C ATOM 829 CE LYS A 408 -13.018 11.520 -0.973 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.023 11.388 -2.073 1.00 0.00 N ATOM 0 H LYS A 408 -11.502 9.929 2.003 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.009 11.075 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.432 12.187 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.081 13.164 2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.779 13.413 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.560 12.377 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.918 10.372 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.141 11.416 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.799 10.770 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.501 12.495 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.520 11.283 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.424 12.238 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.429 10.551 -1.905 1.00 0.00 H new ATOM 844 N GLU A 409 -9.652 10.743 4.524 1.00 0.00 N ATOM 845 CA GLU A 409 -9.044 10.754 5.849 1.00 0.00 C ATOM 846 C GLU A 409 -7.891 9.757 5.940 1.00 0.00 C ATOM 847 O GLU A 409 -6.856 10.045 6.541 1.00 0.00 O ATOM 848 CB GLU A 409 -10.096 10.437 6.912 1.00 0.00 C ATOM 849 CG GLU A 409 -9.549 10.446 8.328 1.00 0.00 C ATOM 850 CD GLU A 409 -10.605 10.117 9.363 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.602 10.865 9.451 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.436 9.113 10.085 1.00 0.00 O ATOM 0 H GLU A 409 -10.628 10.446 4.512 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.642 11.751 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.905 11.164 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.527 9.458 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.735 9.725 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.127 11.427 8.544 1.00 0.00 H new ATOM 859 N GLU A 410 -8.079 8.582 5.352 1.00 0.00 N ATOM 860 CA GLU A 410 -7.056 7.544 5.378 1.00 0.00 C ATOM 861 C GLU A 410 -5.850 7.940 4.529 1.00 0.00 C ATOM 862 O GLU A 410 -4.705 7.787 4.951 1.00 0.00 O ATOM 863 CB GLU A 410 -7.635 6.219 4.878 1.00 0.00 C ATOM 864 CG GLU A 410 -6.658 5.053 4.948 1.00 0.00 C ATOM 865 CD GLU A 410 -6.283 4.681 6.372 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.820 5.305 7.314 1.00 0.00 O ATOM 867 OE2 GLU A 410 -5.455 3.763 6.545 1.00 0.00 O ATOM 0 H GLU A 410 -8.930 8.324 4.852 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.723 7.423 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.519 5.975 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.963 6.344 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.099 4.186 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.754 5.309 4.395 1.00 0.00 H new ATOM 874 N ALA A 411 -6.118 8.439 3.327 1.00 0.00 N ATOM 875 CA ALA A 411 -5.059 8.845 2.409 1.00 0.00 C ATOM 876 C ALA A 411 -4.220 9.987 2.972 1.00 0.00 C ATOM 877 O ALA A 411 -2.993 9.958 2.892 1.00 0.00 O ATOM 878 CB ALA A 411 -5.653 9.245 1.068 1.00 0.00 C ATOM 0 H ALA A 411 -7.062 8.572 2.965 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.398 7.989 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.853 9.546 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.190 8.398 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.342 10.078 1.209 1.00 0.00 H new ATOM 884 N LYS A 412 -4.880 10.997 3.528 1.00 0.00 N ATOM 885 CA LYS A 412 -4.173 12.145 4.085 1.00 0.00 C ATOM 886 C LYS A 412 -3.250 11.720 5.225 1.00 0.00 C ATOM 887 O LYS A 412 -2.112 12.180 5.316 1.00 0.00 O ATOM 888 CB LYS A 412 -5.164 13.211 4.565 1.00 0.00 C ATOM 889 CG LYS A 412 -6.075 12.747 5.690 1.00 0.00 C ATOM 890 CD LYS A 412 -7.046 13.839 6.115 1.00 0.00 C ATOM 891 CE LYS A 412 -6.321 15.059 6.664 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.512 14.730 7.868 1.00 0.00 N ATOM 0 H LYS A 412 -5.896 11.045 3.605 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.559 12.576 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.607 14.086 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.778 13.528 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.634 11.869 5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.471 12.444 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.658 14.133 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.724 13.447 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.672 15.473 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.049 15.831 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.201 15.609 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.089 14.176 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.680 14.174 7.586 1.00 0.00 H new