USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HE2:sc= -2.24! X(o=-2.2!,f=-1.8) USER MOD Set 1.2: A 405 THR OG1 : rot -91:sc= 0.0399 USER MOD Set 2.1: A 377 THR OG1 : rot 1:sc= 0.074 USER MOD Set 2.2: A 380 SER OG : rot -25:sc= 0.938 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.624 F(o=-3.8!,f=-0.62) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 142:sc= 1.15 (180deg=0.916) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= 0.411 K(o=0.41,f=-3.5!) USER MOD Single : A 401 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.05) USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0261 (180deg=-0.237) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 167:sc= -0.056 (180deg=-0.318) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.388 5.714 -3.675 1.00 0.00 N ATOM 340 CA GLU A 376 -4.384 6.305 -2.804 1.00 0.00 C ATOM 341 C GLU A 376 -5.369 7.176 -3.573 1.00 0.00 C ATOM 342 O GLU A 376 -5.750 8.253 -3.114 1.00 0.00 O ATOM 343 CB GLU A 376 -3.677 7.141 -1.748 1.00 0.00 C ATOM 344 CG GLU A 376 -2.465 6.452 -1.143 1.00 0.00 C ATOM 345 CD GLU A 376 -1.725 7.328 -0.151 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.164 8.476 0.075 1.00 0.00 O ATOM 347 OE2 GLU A 376 -0.705 6.866 0.402 1.00 0.00 O ATOM 0 HA GLU A 376 -4.954 5.500 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -3.364 8.086 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.383 7.382 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.784 5.537 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.783 6.159 -1.941 1.00 0.00 H new ATOM 354 N THR A 377 -5.790 6.700 -4.731 1.00 0.00 N ATOM 355 CA THR A 377 -6.743 7.429 -5.549 1.00 0.00 C ATOM 356 C THR A 377 -8.062 6.682 -5.642 1.00 0.00 C ATOM 357 O THR A 377 -8.088 5.452 -5.690 1.00 0.00 O ATOM 358 CB THR A 377 -6.208 7.681 -6.968 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.898 6.435 -7.604 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.969 8.561 -6.933 1.00 0.00 C ATOM 0 H THR A 377 -5.486 5.810 -5.127 1.00 0.00 H new ATOM 0 HA THR A 377 -6.900 8.391 -5.061 1.00 0.00 H new ATOM 0 HB THR A 377 -6.982 8.196 -7.537 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.110 5.696 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.610 8.724 -7.949 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.216 9.520 -6.477 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.191 8.071 -6.348 1.00 0.00 H new ATOM 368 N GLU A 378 -9.155 7.433 -5.669 1.00 0.00 N ATOM 369 CA GLU A 378 -10.481 6.841 -5.761 1.00 0.00 C ATOM 370 C GLU A 378 -10.562 5.944 -6.984 1.00 0.00 C ATOM 371 O GLU A 378 -11.229 4.910 -6.977 1.00 0.00 O ATOM 372 CB GLU A 378 -11.547 7.933 -5.843 1.00 0.00 C ATOM 373 CG GLU A 378 -12.970 7.401 -5.795 1.00 0.00 C ATOM 374 CD GLU A 378 -14.007 8.505 -5.868 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.999 9.387 -4.983 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.829 8.487 -6.808 1.00 0.00 O ATOM 0 H GLU A 378 -9.149 8.452 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.661 6.244 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.402 8.633 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.409 8.495 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.123 6.708 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.112 6.835 -4.875 1.00 0.00 H new ATOM 383 N GLY A 379 -9.874 6.365 -8.034 1.00 0.00 N ATOM 384 CA GLY A 379 -9.863 5.616 -9.270 1.00 0.00 C ATOM 385 C GLY A 379 -9.272 4.227 -9.132 1.00 0.00 C ATOM 386 O GLY A 379 -9.716 3.299 -9.809 1.00 0.00 O ATOM 0 H GLY A 379 -9.319 7.220 -8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -10.884 5.532 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.295 6.171 -10.017 1.00 0.00 H new ATOM 390 N SER A 380 -8.268 4.070 -8.272 1.00 0.00 N ATOM 391 CA SER A 380 -7.638 2.766 -8.095 1.00 0.00 C ATOM 392 C SER A 380 -8.461 1.867 -7.176 1.00 0.00 C ATOM 393 O SER A 380 -8.633 0.679 -7.445 1.00 0.00 O ATOM 394 CB SER A 380 -6.229 2.933 -7.531 1.00 0.00 C ATOM 395 OG SER A 380 -6.261 3.604 -6.287 1.00 0.00 O ATOM 0 H SER A 380 -7.879 4.817 -7.696 1.00 0.00 H new ATOM 0 HA SER A 380 -7.583 2.289 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.763 1.955 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.615 3.494 -8.236 1.00 0.00 H new ATOM 0 HG SER A 380 -7.069 4.156 -6.234 1.00 0.00 H new ATOM 401 N CYS A 381 -8.951 2.441 -6.085 1.00 0.00 N ATOM 402 CA CYS A 381 -9.737 1.698 -5.105 1.00 0.00 C ATOM 403 C CYS A 381 -10.960 1.033 -5.732 1.00 0.00 C ATOM 404 O CYS A 381 -11.225 -0.145 -5.488 1.00 0.00 O ATOM 405 CB CYS A 381 -10.172 2.627 -3.975 1.00 0.00 C ATOM 406 SG CYS A 381 -8.782 3.372 -3.067 1.00 0.00 S ATOM 0 H CYS A 381 -8.817 3.426 -5.854 1.00 0.00 H new ATOM 0 HA CYS A 381 -9.102 0.906 -4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.793 3.422 -4.388 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.794 2.068 -3.276 1.00 0.00 H new ATOM 411 N ASN A 382 -11.704 1.790 -6.531 1.00 0.00 N ATOM 412 CA ASN A 382 -12.903 1.264 -7.181 1.00 0.00 C ATOM 413 C ASN A 382 -12.588 -0.019 -7.940 1.00 0.00 C ATOM 414 O ASN A 382 -13.424 -0.918 -8.039 1.00 0.00 O ATOM 415 CB ASN A 382 -13.490 2.299 -8.144 1.00 0.00 C ATOM 416 CG ASN A 382 -13.832 3.617 -7.470 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.570 3.715 -6.172 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.327 4.541 -8.114 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.501 2.766 -6.745 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.635 1.043 -6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.777 2.484 -8.948 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.389 1.889 -8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.513 4.426 -9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.551 5.422 -7.652 1.00 0.00 H new ATOM 425 N LYS A 383 -11.381 -0.088 -8.483 1.00 0.00 N ATOM 426 CA LYS A 383 -10.948 -1.249 -9.246 1.00 0.00 C ATOM 427 C LYS A 383 -10.625 -2.430 -8.334 1.00 0.00 C ATOM 428 O LYS A 383 -10.909 -3.579 -8.672 1.00 0.00 O ATOM 429 CB LYS A 383 -9.723 -0.886 -10.087 1.00 0.00 C ATOM 430 CG LYS A 383 -9.874 0.426 -10.845 1.00 0.00 C ATOM 431 CD LYS A 383 -11.098 0.425 -11.751 1.00 0.00 C ATOM 432 CE LYS A 383 -11.009 -0.654 -12.820 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.210 -0.660 -13.701 1.00 0.00 N ATOM 0 H LYS A 383 -10.681 0.650 -8.408 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.766 -1.548 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.851 -0.822 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.531 -1.688 -10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.950 1.249 -10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.980 0.604 -11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.994 0.269 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.199 1.401 -12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.116 -0.494 -13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.902 -1.629 -12.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.112 -1.409 -14.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.060 -0.837 -13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -12.298 0.262 -14.174 1.00 0.00 H new ATOM 447 N LYS A 384 -10.012 -2.144 -7.187 1.00 0.00 N ATOM 448 CA LYS A 384 -9.631 -3.178 -6.243 1.00 0.00 C ATOM 449 C LYS A 384 -10.826 -3.968 -5.737 1.00 0.00 C ATOM 450 O LYS A 384 -11.967 -3.749 -6.144 1.00 0.00 O ATOM 451 CB LYS A 384 -8.905 -2.554 -5.053 1.00 0.00 C ATOM 452 CG LYS A 384 -7.845 -1.560 -5.447 1.00 0.00 C ATOM 453 CD LYS A 384 -6.724 -2.264 -6.145 1.00 0.00 C ATOM 454 CE LYS A 384 -6.817 -2.111 -7.643 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.436 -0.743 -8.093 1.00 0.00 N ATOM 0 H LYS A 384 -9.770 -1.198 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.973 -3.867 -6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.635 -2.059 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.446 -3.347 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.272 -0.799 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.469 -1.046 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.771 -1.866 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.741 -3.322 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -6.168 -2.843 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.835 -2.328 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.905 -0.806 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.294 -0.175 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.843 -0.292 -7.368 1.00 0.00 H new ATOM 469 N ASP A 385 -10.528 -4.879 -4.826 1.00 0.00 N ATOM 470 CA ASP A 385 -11.527 -5.730 -4.202 1.00 0.00 C ATOM 471 C ASP A 385 -11.104 -6.020 -2.767 1.00 0.00 C ATOM 472 O ASP A 385 -10.405 -5.218 -2.157 1.00 0.00 O ATOM 473 CB ASP A 385 -11.682 -7.040 -4.978 1.00 0.00 C ATOM 474 CG ASP A 385 -12.203 -6.834 -6.388 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.484 -6.225 -7.207 1.00 0.00 O ATOM 476 OD2 ASP A 385 -13.333 -7.284 -6.673 1.00 0.00 O ATOM 0 H ASP A 385 -9.578 -5.050 -4.496 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.489 -5.217 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.718 -7.546 -5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -12.362 -7.698 -4.437 1.00 0.00 H new ATOM 481 N GLN A 386 -11.503 -7.164 -2.231 1.00 0.00 N ATOM 482 CA GLN A 386 -11.126 -7.516 -0.868 1.00 0.00 C ATOM 483 C GLN A 386 -9.611 -7.655 -0.758 1.00 0.00 C ATOM 484 O GLN A 386 -8.959 -6.912 -0.022 1.00 0.00 O ATOM 485 CB GLN A 386 -11.807 -8.820 -0.447 1.00 0.00 C ATOM 486 CG GLN A 386 -11.486 -9.245 0.977 1.00 0.00 C ATOM 487 CD GLN A 386 -12.146 -10.556 1.356 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.909 -11.588 0.727 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.980 -10.522 2.388 1.00 0.00 N ATOM 0 H GLN A 386 -12.079 -7.856 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.455 -6.719 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.886 -8.705 -0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.506 -9.614 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.406 -9.340 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.811 -8.466 1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.147 -9.644 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.454 -11.374 2.689 1.00 0.00 H new ATOM 498 N ASN A 387 -9.059 -8.604 -1.508 1.00 0.00 N ATOM 499 CA ASN A 387 -7.629 -8.854 -1.516 1.00 0.00 C ATOM 500 C ASN A 387 -6.862 -7.771 -2.264 1.00 0.00 C ATOM 501 O ASN A 387 -5.712 -7.978 -2.651 1.00 0.00 O ATOM 502 CB ASN A 387 -7.373 -10.196 -2.182 1.00 0.00 C ATOM 503 CG ASN A 387 -7.743 -11.370 -1.304 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.887 -11.504 -0.871 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.768 -12.229 -1.040 1.00 0.00 N ATOM 0 H ASN A 387 -9.592 -9.218 -2.124 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.279 -8.854 -0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.942 -10.250 -3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.319 -10.267 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.951 -13.044 -0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.835 -12.075 -1.422 1.00 0.00 H new ATOM 512 N GLU A 388 -7.493 -6.624 -2.478 1.00 0.00 N ATOM 513 CA GLU A 388 -6.840 -5.537 -3.197 1.00 0.00 C ATOM 514 C GLU A 388 -7.207 -4.180 -2.610 1.00 0.00 C ATOM 515 O GLU A 388 -6.630 -3.161 -2.990 1.00 0.00 O ATOM 516 CB GLU A 388 -7.205 -5.589 -4.681 1.00 0.00 C ATOM 517 CG GLU A 388 -6.950 -6.946 -5.322 1.00 0.00 C ATOM 518 CD GLU A 388 -7.164 -6.937 -6.824 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.509 -5.868 -7.369 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.987 -8.000 -7.455 1.00 0.00 O ATOM 0 H GLU A 388 -8.444 -6.423 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.763 -5.666 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.258 -5.333 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.632 -4.831 -5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.928 -7.258 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.611 -7.686 -4.870 1.00 0.00 H new ATOM 527 N CYS A 389 -8.151 -4.165 -1.673 1.00 0.00 N ATOM 528 CA CYS A 389 -8.554 -2.914 -1.043 1.00 0.00 C ATOM 529 C CYS A 389 -7.376 -2.376 -0.233 1.00 0.00 C ATOM 530 O CYS A 389 -7.088 -2.857 0.862 1.00 0.00 O ATOM 531 CB CYS A 389 -9.786 -3.127 -0.157 1.00 0.00 C ATOM 532 SG CYS A 389 -10.702 -1.599 0.234 1.00 0.00 S ATOM 0 H CYS A 389 -8.644 -4.992 -1.338 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.829 -2.186 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.461 -3.824 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.472 -3.597 0.775 1.00 0.00 H new ATOM 537 N LYS A 390 -6.672 -1.407 -0.812 1.00 0.00 N ATOM 538 CA LYS A 390 -5.484 -0.829 -0.189 1.00 0.00 C ATOM 539 C LYS A 390 -5.812 0.023 1.034 1.00 0.00 C ATOM 540 O LYS A 390 -6.952 0.447 1.230 1.00 0.00 O ATOM 541 CB LYS A 390 -4.712 -0.013 -1.219 1.00 0.00 C ATOM 542 CG LYS A 390 -4.319 -0.825 -2.445 1.00 0.00 C ATOM 543 CD LYS A 390 -3.516 0.005 -3.434 1.00 0.00 C ATOM 544 CE LYS A 390 -3.160 -0.800 -4.673 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.334 -0.015 -5.629 1.00 0.00 N ATOM 0 H LYS A 390 -6.906 -1.003 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.867 -1.654 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.320 0.836 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.813 0.392 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.733 -1.691 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.216 -1.205 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.090 0.885 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.604 0.362 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.618 -1.698 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -4.074 -1.127 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.113 -0.601 -6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.861 0.829 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.449 0.276 -5.166 1.00 0.00 H new ATOM 559 N SER A 391 -4.791 0.248 1.863 1.00 0.00 N ATOM 560 CA SER A 391 -4.924 1.021 3.088 1.00 0.00 C ATOM 561 C SER A 391 -5.622 2.365 2.861 1.00 0.00 C ATOM 562 O SER A 391 -6.582 2.681 3.561 1.00 0.00 O ATOM 563 CB SER A 391 -3.546 1.242 3.708 1.00 0.00 C ATOM 564 OG SER A 391 -2.915 0.008 4.005 1.00 0.00 O ATOM 0 H SER A 391 -3.848 -0.104 1.698 1.00 0.00 H new ATOM 0 HA SER A 391 -5.552 0.448 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.923 1.816 3.022 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.644 1.832 4.619 1.00 0.00 H new ATOM 0 HG SER A 391 -2.034 0.178 4.399 1.00 0.00 H new ATOM 570 N PRO A 392 -5.167 3.184 1.884 1.00 0.00 N ATOM 571 CA PRO A 392 -5.787 4.482 1.606 1.00 0.00 C ATOM 572 C PRO A 392 -7.279 4.356 1.350 1.00 0.00 C ATOM 573 O PRO A 392 -8.064 5.233 1.711 1.00 0.00 O ATOM 574 CB PRO A 392 -5.074 4.948 0.331 1.00 0.00 C ATOM 575 CG PRO A 392 -4.439 3.727 -0.228 1.00 0.00 C ATOM 576 CD PRO A 392 -4.040 2.938 0.968 1.00 0.00 C ATOM 0 HA PRO A 392 -5.690 5.171 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.778 5.385 -0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.330 5.713 0.553 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.133 3.171 -0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.576 3.975 -0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.924 1.879 0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.093 3.279 1.385 1.00 0.00 H new ATOM 584 N CYS A 393 -7.655 3.261 0.706 1.00 0.00 N ATOM 585 CA CYS A 393 -9.047 3.001 0.371 1.00 0.00 C ATOM 586 C CYS A 393 -9.899 2.786 1.619 1.00 0.00 C ATOM 587 O CYS A 393 -9.544 3.209 2.718 1.00 0.00 O ATOM 588 CB CYS A 393 -9.129 1.768 -0.527 1.00 0.00 C ATOM 589 SG CYS A 393 -8.039 1.832 -1.984 1.00 0.00 S ATOM 0 H CYS A 393 -7.009 2.532 0.403 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.438 3.874 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.878 0.886 0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.159 1.645 -0.863 1.00 0.00 H new ATOM 594 N LYS A 394 -11.026 2.113 1.424 1.00 0.00 N ATOM 595 CA LYS A 394 -11.954 1.813 2.505 1.00 0.00 C ATOM 596 C LYS A 394 -12.809 0.614 2.126 1.00 0.00 C ATOM 597 O LYS A 394 -13.629 0.684 1.208 1.00 0.00 O ATOM 598 CB LYS A 394 -12.833 3.029 2.803 1.00 0.00 C ATOM 599 CG LYS A 394 -13.841 2.802 3.918 1.00 0.00 C ATOM 600 CD LYS A 394 -14.602 4.077 4.256 1.00 0.00 C ATOM 601 CE LYS A 394 -15.362 4.617 3.052 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.134 5.846 3.386 1.00 0.00 N ATOM 0 H LYS A 394 -11.321 1.761 0.513 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.389 1.573 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.194 3.870 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.367 3.310 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.546 2.026 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.325 2.439 4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.301 3.879 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.904 4.833 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.659 4.837 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -16.042 3.851 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.637 6.181 2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.823 5.631 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.483 6.586 3.717 1.00 0.00 H new ATOM 616 N TRP A 395 -12.589 -0.495 2.821 1.00 0.00 N ATOM 617 CA TRP A 395 -13.311 -1.727 2.547 1.00 0.00 C ATOM 618 C TRP A 395 -14.773 -1.644 2.978 1.00 0.00 C ATOM 619 O TRP A 395 -15.096 -1.075 4.021 1.00 0.00 O ATOM 620 CB TRP A 395 -12.626 -2.906 3.243 1.00 0.00 C ATOM 621 CG TRP A 395 -13.228 -4.235 2.899 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.596 -5.216 3.773 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.525 -4.732 1.586 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.108 -6.292 3.087 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.074 -6.020 1.745 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.381 -4.217 0.293 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.481 -6.795 0.662 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.785 -4.988 -0.780 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.329 -6.264 -0.590 1.00 0.00 C ATOM 0 H TRP A 395 -11.913 -0.564 3.582 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.295 -1.880 1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.570 -2.913 2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.678 -2.761 4.322 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.499 -5.156 4.847 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.456 -7.153 3.509 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.961 -3.234 0.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.901 -7.779 0.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.679 -4.600 -1.782 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.635 -6.841 -1.450 1.00 0.00 H new ATOM 640 N HIS A 396 -15.646 -2.236 2.167 1.00 0.00 N ATOM 641 CA HIS A 396 -17.077 -2.260 2.451 1.00 0.00 C ATOM 642 C HIS A 396 -17.588 -3.696 2.461 1.00 0.00 C ATOM 643 O HIS A 396 -17.649 -4.351 1.416 1.00 0.00 O ATOM 644 CB HIS A 396 -17.847 -1.445 1.410 1.00 0.00 C ATOM 645 CG HIS A 396 -17.584 0.025 1.479 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.883 0.789 2.587 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.051 0.876 0.569 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.548 2.046 2.356 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.040 2.124 1.141 1.00 0.00 N ATOM 0 H HIS A 396 -15.384 -2.709 1.302 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.238 -1.816 3.433 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.586 -1.805 0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.915 -1.620 1.542 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.298 0.439 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.701 0.621 -0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.669 2.869 3.044 1.00 0.00 H new ATOM 658 N ASN A 397 -17.946 -4.176 3.650 1.00 0.00 N ATOM 659 CA ASN A 397 -18.446 -5.536 3.816 1.00 0.00 C ATOM 660 C ASN A 397 -19.944 -5.617 3.545 1.00 0.00 C ATOM 661 O ASN A 397 -20.709 -4.742 3.950 1.00 0.00 O ATOM 662 CB ASN A 397 -18.147 -6.042 5.229 1.00 0.00 C ATOM 663 CG ASN A 397 -18.800 -5.189 6.300 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.531 -3.993 6.408 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.663 -5.804 7.101 1.00 0.00 N ATOM 0 H ASN A 397 -17.898 -3.639 4.516 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.935 -6.167 3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.496 -7.070 5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.069 -6.055 5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.132 -5.283 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.856 -6.798 6.976 1.00 0.00 H new ATOM 672 N ASP A 398 -20.353 -6.684 2.862 1.00 0.00 N ATOM 673 CA ASP A 398 -21.758 -6.904 2.534 1.00 0.00 C ATOM 674 C ASP A 398 -22.339 -5.729 1.754 1.00 0.00 C ATOM 675 O ASP A 398 -23.536 -5.450 1.835 1.00 0.00 O ATOM 676 CB ASP A 398 -22.569 -7.137 3.811 1.00 0.00 C ATOM 677 CG ASP A 398 -22.094 -8.349 4.587 1.00 0.00 C ATOM 678 OD1 ASP A 398 -20.915 -8.367 4.998 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.902 -9.282 4.784 1.00 0.00 O ATOM 0 H ASP A 398 -19.726 -7.414 2.523 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.818 -7.790 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.502 -6.254 4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.620 -7.264 3.552 1.00 0.00 H new ATOM 684 N ALA A 399 -21.491 -5.051 0.988 1.00 0.00 N ATOM 685 CA ALA A 399 -21.934 -3.918 0.186 1.00 0.00 C ATOM 686 C ALA A 399 -22.636 -4.406 -1.078 1.00 0.00 C ATOM 687 O ALA A 399 -23.253 -5.471 -1.079 1.00 0.00 O ATOM 688 CB ALA A 399 -20.750 -3.026 -0.164 1.00 0.00 C ATOM 0 H ALA A 399 -20.497 -5.266 0.906 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.646 -3.332 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.094 -2.183 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.290 -2.656 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.017 -3.600 -0.732 1.00 0.00 H new ATOM 694 N GLU A 400 -22.526 -3.636 -2.155 1.00 0.00 N ATOM 695 CA GLU A 400 -23.137 -4.010 -3.424 1.00 0.00 C ATOM 696 C GLU A 400 -22.247 -5.019 -4.145 1.00 0.00 C ATOM 697 O GLU A 400 -21.682 -4.718 -5.198 1.00 0.00 O ATOM 698 CB GLU A 400 -23.361 -2.772 -4.296 1.00 0.00 C ATOM 699 CG GLU A 400 -24.120 -3.060 -5.583 1.00 0.00 C ATOM 700 CD GLU A 400 -24.336 -1.818 -6.426 1.00 0.00 C ATOM 701 OE1 GLU A 400 -23.893 -0.728 -6.005 1.00 0.00 O ATOM 702 OE2 GLU A 400 -24.948 -1.934 -7.508 1.00 0.00 O ATOM 0 H GLU A 400 -22.020 -2.750 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.107 -4.468 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.910 -2.027 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -22.394 -2.334 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -23.571 -3.799 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.086 -3.501 -5.339 1.00 0.00 H new ATOM 709 N ASN A 401 -22.097 -6.203 -3.539 1.00 0.00 N ATOM 710 CA ASN A 401 -21.249 -7.260 -4.082 1.00 0.00 C ATOM 711 C ASN A 401 -19.799 -6.928 -3.785 1.00 0.00 C ATOM 712 O ASN A 401 -18.917 -7.068 -4.635 1.00 0.00 O ATOM 713 CB ASN A 401 -21.469 -7.429 -5.586 1.00 0.00 C ATOM 714 CG ASN A 401 -22.916 -7.723 -5.917 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.388 -8.849 -5.762 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.636 -6.694 -6.340 1.00 0.00 N ATOM 0 H ASN A 401 -22.559 -6.450 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.512 -8.206 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.156 -6.522 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.841 -8.239 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.626 -6.817 -6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.200 -5.779 -6.453 1.00 0.00 H new ATOM 723 N LYS A 402 -19.586 -6.464 -2.557 1.00 0.00 N ATOM 724 CA LYS A 402 -18.264 -6.067 -2.073 1.00 0.00 C ATOM 725 C LYS A 402 -17.846 -4.744 -2.703 1.00 0.00 C ATOM 726 O LYS A 402 -17.927 -4.578 -3.920 1.00 0.00 O ATOM 727 CB LYS A 402 -17.222 -7.148 -2.377 1.00 0.00 C ATOM 728 CG LYS A 402 -17.562 -8.512 -1.796 1.00 0.00 C ATOM 729 CD LYS A 402 -17.653 -8.472 -0.279 1.00 0.00 C ATOM 730 CE LYS A 402 -17.965 -9.845 0.296 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.912 -10.841 -0.046 1.00 0.00 N ATOM 0 H LYS A 402 -20.327 -6.352 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.322 -5.942 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.114 -7.241 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.256 -6.828 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.510 -8.857 -2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.803 -9.234 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.712 -8.109 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.427 -7.766 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.058 -9.772 1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.927 -10.188 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.018 -11.680 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.008 -11.119 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.973 -10.420 0.107 1.00 0.00 H new ATOM 745 N LYS A 403 -17.419 -3.795 -1.871 1.00 0.00 N ATOM 746 CA LYS A 403 -17.018 -2.484 -2.371 1.00 0.00 C ATOM 747 C LYS A 403 -15.776 -1.943 -1.668 1.00 0.00 C ATOM 748 O LYS A 403 -15.538 -2.217 -0.494 1.00 0.00 O ATOM 749 CB LYS A 403 -18.170 -1.496 -2.211 1.00 0.00 C ATOM 750 CG LYS A 403 -19.386 -1.841 -3.052 1.00 0.00 C ATOM 751 CD LYS A 403 -19.096 -1.711 -4.541 1.00 0.00 C ATOM 752 CE LYS A 403 -18.721 -0.286 -4.918 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.413 -0.157 -6.368 1.00 0.00 N ATOM 0 H LYS A 403 -17.343 -3.908 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.767 -2.604 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.463 -1.459 -1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.823 -0.499 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.704 -2.860 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.213 -1.183 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.284 -2.385 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.972 -2.020 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.540 0.385 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.856 0.028 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.162 0.829 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -17.615 -0.778 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.247 -0.432 -6.926 1.00 0.00 H new ATOM 767 N CYS A 404 -15.001 -1.152 -2.406 1.00 0.00 N ATOM 768 CA CYS A 404 -13.786 -0.529 -1.886 1.00 0.00 C ATOM 769 C CYS A 404 -13.625 0.854 -2.511 1.00 0.00 C ATOM 770 O CYS A 404 -13.668 0.996 -3.734 1.00 0.00 O ATOM 771 CB CYS A 404 -12.557 -1.396 -2.194 1.00 0.00 C ATOM 772 SG CYS A 404 -10.980 -0.712 -1.582 1.00 0.00 S ATOM 0 H CYS A 404 -15.197 -0.925 -3.381 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.869 -0.434 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.705 -2.383 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.485 -1.533 -3.273 1.00 0.00 H new ATOM 777 N THR A 405 -13.468 1.877 -1.675 1.00 0.00 N ATOM 778 CA THR A 405 -13.333 3.246 -2.170 1.00 0.00 C ATOM 779 C THR A 405 -12.270 4.028 -1.409 1.00 0.00 C ATOM 780 O THR A 405 -12.086 3.844 -0.206 1.00 0.00 O ATOM 781 CB THR A 405 -14.669 4.007 -2.078 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.116 4.050 -0.718 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.732 3.350 -2.944 1.00 0.00 C ATOM 0 H THR A 405 -13.431 1.787 -0.660 1.00 0.00 H new ATOM 0 HA THR A 405 -13.029 3.163 -3.213 1.00 0.00 H new ATOM 0 HB THR A 405 -14.506 5.022 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.692 3.278 -0.538 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.665 3.907 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.403 3.346 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.891 2.325 -2.610 1.00 0.00 H new ATOM 791 N LEU A 406 -11.577 4.905 -2.128 1.00 0.00 N ATOM 792 CA LEU A 406 -10.528 5.728 -1.545 1.00 0.00 C ATOM 793 C LEU A 406 -11.106 6.721 -0.549 1.00 0.00 C ATOM 794 O LEU A 406 -12.178 7.286 -0.763 1.00 0.00 O ATOM 795 CB LEU A 406 -9.762 6.460 -2.649 1.00 0.00 C ATOM 796 CG LEU A 406 -8.473 7.165 -2.217 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.768 8.523 -1.606 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.688 6.300 -1.246 1.00 0.00 C ATOM 0 H LEU A 406 -11.727 5.063 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.838 5.077 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.515 5.741 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.426 7.201 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.864 7.324 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.834 8.999 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.277 9.149 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.405 8.397 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.776 6.819 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.295 6.103 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.429 5.356 -1.727 1.00 0.00 H new ATOM 810 N ASP A 407 -10.380 6.926 0.539 1.00 0.00 N ATOM 811 CA ASP A 407 -10.808 7.853 1.579 1.00 0.00 C ATOM 812 C ASP A 407 -9.820 9.007 1.713 1.00 0.00 C ATOM 813 O ASP A 407 -8.609 8.794 1.772 1.00 0.00 O ATOM 814 CB ASP A 407 -10.954 7.123 2.916 1.00 0.00 C ATOM 815 CG ASP A 407 -11.486 8.026 4.013 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.594 8.575 3.844 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.797 8.179 5.043 1.00 0.00 O ATOM 0 H ASP A 407 -9.491 6.463 0.726 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.778 8.261 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.625 6.273 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.985 6.723 3.216 1.00 0.00 H new ATOM 822 N LYS A 408 -10.347 10.225 1.753 1.00 0.00 N ATOM 823 CA LYS A 408 -9.515 11.417 1.874 1.00 0.00 C ATOM 824 C LYS A 408 -8.805 11.460 3.222 1.00 0.00 C ATOM 825 O LYS A 408 -7.607 11.734 3.297 1.00 0.00 O ATOM 826 CB LYS A 408 -10.365 12.674 1.695 1.00 0.00 C ATOM 827 CG LYS A 408 -11.075 12.741 0.353 1.00 0.00 C ATOM 828 CD LYS A 408 -11.906 14.008 0.225 1.00 0.00 C ATOM 829 CE LYS A 408 -12.617 14.072 -1.117 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.516 12.904 -1.325 1.00 0.00 N ATOM 0 H LYS A 408 -11.348 10.414 1.703 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.758 11.378 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.107 12.717 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.728 13.552 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.340 12.704 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.719 11.869 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.640 14.046 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.262 14.880 0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.198 14.992 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.878 14.109 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -14.141 13.087 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.945 12.056 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.091 12.752 -0.472 1.00 0.00 H new ATOM 844 N GLU A 409 -9.554 11.193 4.288 1.00 0.00 N ATOM 845 CA GLU A 409 -9.003 11.208 5.638 1.00 0.00 C ATOM 846 C GLU A 409 -7.907 10.158 5.803 1.00 0.00 C ATOM 847 O GLU A 409 -6.887 10.408 6.441 1.00 0.00 O ATOM 848 CB GLU A 409 -10.111 10.972 6.665 1.00 0.00 C ATOM 849 CG GLU A 409 -11.197 12.035 6.639 1.00 0.00 C ATOM 850 CD GLU A 409 -12.275 11.801 7.680 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.175 10.806 8.428 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.220 12.616 7.747 1.00 0.00 O ATOM 0 H GLU A 409 -10.547 10.963 4.242 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.560 12.190 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.563 9.997 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.671 10.938 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.745 13.013 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.653 12.058 5.649 1.00 0.00 H new ATOM 859 N GLU A 410 -8.126 8.981 5.232 1.00 0.00 N ATOM 860 CA GLU A 410 -7.155 7.897 5.326 1.00 0.00 C ATOM 861 C GLU A 410 -5.903 8.213 4.515 1.00 0.00 C ATOM 862 O GLU A 410 -4.783 8.036 4.992 1.00 0.00 O ATOM 863 CB GLU A 410 -7.776 6.586 4.841 1.00 0.00 C ATOM 864 CG GLU A 410 -6.853 5.383 4.974 1.00 0.00 C ATOM 865 CD GLU A 410 -6.516 5.055 6.416 1.00 0.00 C ATOM 866 OE1 GLU A 410 -5.895 5.903 7.091 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.877 3.949 6.873 1.00 0.00 O ATOM 0 H GLU A 410 -8.965 8.752 4.700 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.868 7.790 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.689 6.396 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.065 6.697 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.324 4.517 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.931 5.576 4.425 1.00 0.00 H new ATOM 874 N ALA A 411 -6.100 8.672 3.284 1.00 0.00 N ATOM 875 CA ALA A 411 -4.987 9.002 2.402 1.00 0.00 C ATOM 876 C ALA A 411 -4.092 10.088 2.990 1.00 0.00 C ATOM 877 O ALA A 411 -2.867 9.969 2.964 1.00 0.00 O ATOM 878 CB ALA A 411 -5.508 9.430 1.038 1.00 0.00 C ATOM 0 H ALA A 411 -7.022 8.824 2.874 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.379 8.104 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.668 9.674 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.084 8.616 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.146 10.307 1.151 1.00 0.00 H new ATOM 884 N LYS A 412 -4.700 11.148 3.512 1.00 0.00 N ATOM 885 CA LYS A 412 -3.935 12.246 4.093 1.00 0.00 C ATOM 886 C LYS A 412 -3.100 11.766 5.277 1.00 0.00 C ATOM 887 O LYS A 412 -1.936 12.141 5.414 1.00 0.00 O ATOM 888 CB LYS A 412 -4.861 13.387 4.522 1.00 0.00 C ATOM 889 CG LYS A 412 -5.879 12.991 5.580 1.00 0.00 C ATOM 890 CD LYS A 412 -6.710 14.181 6.035 1.00 0.00 C ATOM 891 CE LYS A 412 -5.855 15.228 6.732 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.665 16.385 7.205 1.00 0.00 N ATOM 0 H LYS A 412 -5.712 11.270 3.545 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.257 12.621 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.255 14.209 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.390 13.762 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.537 12.219 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.363 12.558 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.206 14.630 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.493 13.841 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.344 14.773 7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.084 15.581 6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.044 17.075 7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.133 16.836 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.384 16.053 7.879 1.00 0.00 H new