USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 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 397 ASN : amide:sc= -0.0747 X(o=-0.075,f=-0.23) USER MOD Set 1.2: A 402 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.167) USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.636 USER MOD Set 2.2: A 380 SER OG : rot 87:sc= 0.709 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.13 F(o=-4.6!,f=-1.1) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -115:sc= -0.182 (180deg=-2.71!) USER MOD Single : A 386 GLN : amide:sc= -2.13! C(o=-2.1!,f=-2.1!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -133:sc= -0.0263 (180deg=-0.353) 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 HE2:sc= -3.26! C(o=-3.3!,f=-4.9!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.239 F(o=-1.8!,f=-0.24) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 THR OG1 : rot 33:sc= 0.182 USER MOD Single : A 408 LYS NZ :NH3+ -167:sc= -0.0423 (180deg=-0.237) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.415 5.251 -2.735 1.00 0.00 N ATOM 340 CA GLU A 376 -4.058 5.106 -4.031 1.00 0.00 C ATOM 341 C GLU A 376 -4.988 6.284 -4.313 1.00 0.00 C ATOM 342 O GLU A 376 -4.748 7.401 -3.855 1.00 0.00 O ATOM 343 CB GLU A 376 -4.830 3.786 -4.063 1.00 0.00 C ATOM 344 CG GLU A 376 -3.977 2.582 -3.704 1.00 0.00 C ATOM 345 CD GLU A 376 -2.884 2.316 -4.723 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.219 2.070 -5.901 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.696 2.357 -4.343 1.00 0.00 O ATOM 0 HA GLU A 376 -3.295 5.097 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.669 3.847 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.248 3.642 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.525 2.741 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.614 1.701 -3.622 1.00 0.00 H new ATOM 354 N THR A 377 -6.051 6.022 -5.063 1.00 0.00 N ATOM 355 CA THR A 377 -7.028 7.042 -5.414 1.00 0.00 C ATOM 356 C THR A 377 -8.408 6.418 -5.540 1.00 0.00 C ATOM 357 O THR A 377 -8.527 5.223 -5.804 1.00 0.00 O ATOM 358 CB THR A 377 -6.669 7.745 -6.737 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.643 6.793 -7.807 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.316 8.433 -6.634 1.00 0.00 C ATOM 0 H THR A 377 -6.259 5.099 -5.444 1.00 0.00 H new ATOM 0 HA THR A 377 -7.024 7.787 -4.618 1.00 0.00 H new ATOM 0 HB THR A 377 -7.430 8.499 -6.939 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.416 7.248 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.084 8.922 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.346 9.177 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.548 7.693 -6.410 1.00 0.00 H new ATOM 368 N GLU A 378 -9.444 7.221 -5.330 1.00 0.00 N ATOM 369 CA GLU A 378 -10.817 6.730 -5.403 1.00 0.00 C ATOM 370 C GLU A 378 -11.018 5.848 -6.629 1.00 0.00 C ATOM 371 O GLU A 378 -11.632 4.786 -6.545 1.00 0.00 O ATOM 372 CB GLU A 378 -11.802 7.898 -5.433 1.00 0.00 C ATOM 373 CG GLU A 378 -13.259 7.465 -5.367 1.00 0.00 C ATOM 374 CD GLU A 378 -14.222 8.634 -5.456 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.751 9.785 -5.575 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.448 8.397 -5.404 1.00 0.00 O ATOM 0 H GLU A 378 -9.361 8.213 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.006 6.130 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.591 8.563 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.643 8.474 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.464 6.768 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.432 6.927 -4.435 1.00 0.00 H new ATOM 383 N GLY A 379 -10.497 6.292 -7.763 1.00 0.00 N ATOM 384 CA GLY A 379 -10.633 5.527 -8.986 1.00 0.00 C ATOM 385 C GLY A 379 -9.909 4.198 -8.937 1.00 0.00 C ATOM 386 O GLY A 379 -10.427 3.186 -9.408 1.00 0.00 O ATOM 0 H GLY A 379 -9.983 7.168 -7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.691 5.351 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.247 6.114 -9.820 1.00 0.00 H new ATOM 390 N SER A 380 -8.709 4.199 -8.373 1.00 0.00 N ATOM 391 CA SER A 380 -7.919 2.979 -8.276 1.00 0.00 C ATOM 392 C SER A 380 -8.556 1.973 -7.320 1.00 0.00 C ATOM 393 O SER A 380 -8.730 0.805 -7.661 1.00 0.00 O ATOM 394 CB SER A 380 -6.503 3.303 -7.818 1.00 0.00 C ATOM 395 OG SER A 380 -5.848 4.158 -8.739 1.00 0.00 O ATOM 0 H SER A 380 -8.263 5.027 -7.977 1.00 0.00 H new ATOM 0 HA SER A 380 -7.885 2.528 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.535 3.777 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.934 2.380 -7.707 1.00 0.00 H new ATOM 0 HG SER A 380 -6.050 5.091 -8.519 1.00 0.00 H new ATOM 401 N CYS A 381 -8.892 2.437 -6.123 1.00 0.00 N ATOM 402 CA CYS A 381 -9.495 1.588 -5.097 1.00 0.00 C ATOM 403 C CYS A 381 -10.731 0.851 -5.609 1.00 0.00 C ATOM 404 O CYS A 381 -10.895 -0.343 -5.357 1.00 0.00 O ATOM 405 CB CYS A 381 -9.865 2.431 -3.878 1.00 0.00 C ATOM 406 SG CYS A 381 -8.444 3.213 -3.053 1.00 0.00 S ATOM 0 H CYS A 381 -8.756 3.406 -5.835 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.756 0.836 -4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.565 3.208 -4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.386 1.800 -3.158 1.00 0.00 H new ATOM 411 N ASN A 382 -11.603 1.566 -6.314 1.00 0.00 N ATOM 412 CA ASN A 382 -12.828 0.971 -6.845 1.00 0.00 C ATOM 413 C ASN A 382 -12.530 -0.285 -7.656 1.00 0.00 C ATOM 414 O ASN A 382 -13.356 -1.194 -7.738 1.00 0.00 O ATOM 415 CB ASN A 382 -13.580 1.974 -7.723 1.00 0.00 C ATOM 416 CG ASN A 382 -13.988 3.230 -6.977 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.631 3.313 -5.701 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.621 4.121 -7.545 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.486 2.556 -6.531 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.450 0.697 -5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.951 2.250 -8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.471 1.495 -8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.876 4.019 -8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.890 4.961 -7.033 1.00 0.00 H new ATOM 425 N LYS A 383 -11.354 -0.319 -8.268 1.00 0.00 N ATOM 426 CA LYS A 383 -10.953 -1.449 -9.088 1.00 0.00 C ATOM 427 C LYS A 383 -10.347 -2.560 -8.239 1.00 0.00 C ATOM 428 O LYS A 383 -10.492 -3.743 -8.548 1.00 0.00 O ATOM 429 CB LYS A 383 -9.955 -0.986 -10.150 1.00 0.00 C ATOM 430 CG LYS A 383 -10.383 0.291 -10.863 1.00 0.00 C ATOM 431 CD LYS A 383 -11.773 0.162 -11.469 1.00 0.00 C ATOM 432 CE LYS A 383 -12.159 1.407 -12.249 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.512 1.283 -12.860 1.00 0.00 N ATOM 0 H LYS A 383 -10.660 0.427 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.840 -1.852 -9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.985 -0.824 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.825 -1.779 -10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.370 1.123 -10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.665 0.527 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.804 -0.706 -12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.501 -0.013 -10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.138 2.272 -11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.422 1.588 -13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.738 2.153 -13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.525 0.473 -13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -14.219 1.136 -12.111 1.00 0.00 H new ATOM 447 N LYS A 384 -9.660 -2.168 -7.171 1.00 0.00 N ATOM 448 CA LYS A 384 -9.020 -3.119 -6.278 1.00 0.00 C ATOM 449 C LYS A 384 -10.039 -4.018 -5.585 1.00 0.00 C ATOM 450 O LYS A 384 -10.981 -3.535 -4.956 1.00 0.00 O ATOM 451 CB LYS A 384 -8.195 -2.361 -5.239 1.00 0.00 C ATOM 452 CG LYS A 384 -6.821 -1.906 -5.727 1.00 0.00 C ATOM 453 CD LYS A 384 -6.855 -1.304 -7.123 1.00 0.00 C ATOM 454 CE LYS A 384 -6.564 -2.347 -8.193 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.583 -1.760 -9.562 1.00 0.00 N ATOM 0 H LYS A 384 -9.534 -1.192 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.370 -3.761 -6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.759 -1.486 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.063 -2.998 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.419 -1.171 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.139 -2.757 -5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.834 -0.860 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.123 -0.499 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.589 -2.798 -8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.302 -3.146 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.368 -2.172 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.710 -0.730 -9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.684 -1.968 -10.041 1.00 0.00 H new ATOM 469 N ASP A 385 -9.833 -5.330 -5.693 1.00 0.00 N ATOM 470 CA ASP A 385 -10.724 -6.298 -5.064 1.00 0.00 C ATOM 471 C ASP A 385 -10.541 -6.275 -3.552 1.00 0.00 C ATOM 472 O ASP A 385 -9.802 -5.447 -3.028 1.00 0.00 O ATOM 473 CB ASP A 385 -10.454 -7.704 -5.604 1.00 0.00 C ATOM 474 CG ASP A 385 -10.683 -7.807 -7.100 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.056 -6.788 -7.718 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.488 -8.910 -7.655 1.00 0.00 O ATOM 0 H ASP A 385 -9.057 -5.744 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.753 -6.026 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.426 -7.985 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.100 -8.417 -5.091 1.00 0.00 H new ATOM 481 N GLN A 386 -11.212 -7.189 -2.857 1.00 0.00 N ATOM 482 CA GLN A 386 -11.117 -7.263 -1.402 1.00 0.00 C ATOM 483 C GLN A 386 -9.661 -7.245 -0.946 1.00 0.00 C ATOM 484 O GLN A 386 -9.254 -6.385 -0.165 1.00 0.00 O ATOM 485 CB GLN A 386 -11.819 -8.530 -0.896 1.00 0.00 C ATOM 486 CG GLN A 386 -11.899 -8.639 0.621 1.00 0.00 C ATOM 487 CD GLN A 386 -10.557 -8.929 1.265 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.937 -9.959 1.000 1.00 0.00 O ATOM 489 NE2 GLN A 386 -10.100 -8.018 2.116 1.00 0.00 N ATOM 0 H GLN A 386 -11.826 -7.887 -3.276 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.612 -6.388 -0.980 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.829 -8.559 -1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.293 -9.402 -1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -12.297 -7.709 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.602 -9.429 0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.647 -7.178 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -9.202 -8.158 2.579 1.00 0.00 H new ATOM 498 N ASN A 387 -8.878 -8.196 -1.442 1.00 0.00 N ATOM 499 CA ASN A 387 -7.466 -8.288 -1.086 1.00 0.00 C ATOM 500 C ASN A 387 -6.683 -7.090 -1.618 1.00 0.00 C ATOM 501 O ASN A 387 -5.689 -6.673 -1.023 1.00 0.00 O ATOM 502 CB ASN A 387 -6.866 -9.586 -1.630 1.00 0.00 C ATOM 503 CG ASN A 387 -5.410 -9.751 -1.257 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.050 -9.722 -0.080 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.564 -9.937 -2.259 1.00 0.00 N ATOM 0 H ASN A 387 -9.197 -8.915 -2.092 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.394 -8.287 0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.434 -10.434 -1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.964 -9.601 -2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.570 -10.063 -2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.907 -9.954 -3.220 1.00 0.00 H new ATOM 512 N GLU A 388 -7.132 -6.548 -2.747 1.00 0.00 N ATOM 513 CA GLU A 388 -6.470 -5.407 -3.370 1.00 0.00 C ATOM 514 C GLU A 388 -6.848 -4.101 -2.686 1.00 0.00 C ATOM 515 O GLU A 388 -6.168 -3.090 -2.856 1.00 0.00 O ATOM 516 CB GLU A 388 -6.814 -5.346 -4.857 1.00 0.00 C ATOM 517 CG GLU A 388 -6.391 -6.583 -5.632 1.00 0.00 C ATOM 518 CD GLU A 388 -6.739 -6.496 -7.105 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.250 -5.564 -7.779 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.500 -7.362 -7.587 1.00 0.00 O ATOM 0 H GLU A 388 -7.954 -6.882 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.394 -5.541 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.890 -5.209 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.335 -4.471 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.316 -6.724 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.873 -7.460 -5.200 1.00 0.00 H new ATOM 527 N CYS A 389 -7.931 -4.120 -1.913 1.00 0.00 N ATOM 528 CA CYS A 389 -8.372 -2.921 -1.217 1.00 0.00 C ATOM 529 C CYS A 389 -7.256 -2.435 -0.302 1.00 0.00 C ATOM 530 O CYS A 389 -7.041 -2.976 0.784 1.00 0.00 O ATOM 531 CB CYS A 389 -9.651 -3.199 -0.422 1.00 0.00 C ATOM 532 SG CYS A 389 -10.604 -1.703 -0.009 1.00 0.00 S ATOM 0 H CYS A 389 -8.512 -4.944 -1.756 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.600 -2.142 -1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.285 -3.874 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.388 -3.717 0.501 1.00 0.00 H new ATOM 537 N LYS A 390 -6.526 -1.432 -0.772 1.00 0.00 N ATOM 538 CA LYS A 390 -5.396 -0.881 -0.035 1.00 0.00 C ATOM 539 C LYS A 390 -5.833 -0.106 1.204 1.00 0.00 C ATOM 540 O LYS A 390 -7.003 0.243 1.355 1.00 0.00 O ATOM 541 CB LYS A 390 -4.561 -0.005 -0.961 1.00 0.00 C ATOM 542 CG LYS A 390 -3.859 -0.799 -2.054 1.00 0.00 C ATOM 543 CD LYS A 390 -2.728 -1.645 -1.490 1.00 0.00 C ATOM 544 CE LYS A 390 -2.071 -2.488 -2.571 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.036 -3.432 -3.199 1.00 0.00 N ATOM 0 H LYS A 390 -6.699 -0.979 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.789 -1.714 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.204 0.746 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.816 0.530 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.580 -1.443 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.464 -0.115 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.983 -0.997 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.115 -2.295 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.651 -1.835 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.242 -3.049 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.609 -4.379 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.902 -3.477 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.272 -3.101 -4.156 1.00 0.00 H new ATOM 559 N SER A 391 -4.874 0.132 2.097 1.00 0.00 N ATOM 560 CA SER A 391 -5.134 0.837 3.352 1.00 0.00 C ATOM 561 C SER A 391 -5.879 2.153 3.125 1.00 0.00 C ATOM 562 O SER A 391 -6.944 2.361 3.705 1.00 0.00 O ATOM 563 CB SER A 391 -3.825 1.091 4.105 1.00 0.00 C ATOM 564 OG SER A 391 -4.065 1.745 5.340 1.00 0.00 O ATOM 0 H SER A 391 -3.903 -0.155 1.974 1.00 0.00 H new ATOM 0 HA SER A 391 -5.775 0.197 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.315 0.144 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.161 1.699 3.491 1.00 0.00 H new ATOM 0 HG SER A 391 -3.214 1.894 5.802 1.00 0.00 H new ATOM 570 N PRO A 392 -5.347 3.068 2.282 1.00 0.00 N ATOM 571 CA PRO A 392 -6.012 4.333 2.023 1.00 0.00 C ATOM 572 C PRO A 392 -7.460 4.116 1.613 1.00 0.00 C ATOM 573 O PRO A 392 -8.344 4.903 1.951 1.00 0.00 O ATOM 574 CB PRO A 392 -5.227 4.956 0.869 1.00 0.00 C ATOM 575 CG PRO A 392 -3.969 4.188 0.721 1.00 0.00 C ATOM 576 CD PRO A 392 -4.085 2.936 1.535 1.00 0.00 C ATOM 0 HA PRO A 392 -6.032 4.968 2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.808 4.922 -0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -5.014 6.005 1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.793 3.945 -0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.119 4.782 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.097 2.053 0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.238 2.828 2.212 1.00 0.00 H new ATOM 584 N CYS A 393 -7.687 3.032 0.879 1.00 0.00 N ATOM 585 CA CYS A 393 -9.019 2.685 0.409 1.00 0.00 C ATOM 586 C CYS A 393 -9.922 2.297 1.573 1.00 0.00 C ATOM 587 O CYS A 393 -9.452 1.809 2.601 1.00 0.00 O ATOM 588 CB CYS A 393 -8.946 1.527 -0.584 1.00 0.00 C ATOM 589 SG CYS A 393 -7.693 1.732 -1.890 1.00 0.00 S ATOM 0 H CYS A 393 -6.959 2.376 0.596 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.439 3.561 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.736 0.608 -0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.923 1.403 -1.051 1.00 0.00 H new ATOM 594 N LYS A 394 -11.218 2.505 1.399 1.00 0.00 N ATOM 595 CA LYS A 394 -12.194 2.166 2.426 1.00 0.00 C ATOM 596 C LYS A 394 -13.024 0.968 1.991 1.00 0.00 C ATOM 597 O LYS A 394 -13.769 1.032 1.008 1.00 0.00 O ATOM 598 CB LYS A 394 -13.093 3.368 2.730 1.00 0.00 C ATOM 599 CG LYS A 394 -14.119 3.106 3.823 1.00 0.00 C ATOM 600 CD LYS A 394 -14.870 4.375 4.206 1.00 0.00 C ATOM 601 CE LYS A 394 -15.629 4.961 3.025 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.359 6.205 3.396 1.00 0.00 N ATOM 0 H LYS A 394 -11.621 2.909 0.553 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.661 1.901 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.469 4.211 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.614 3.660 1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.829 2.352 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.619 2.700 4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.568 4.154 5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.165 5.114 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.931 5.177 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -16.337 4.224 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.863 6.573 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -17.043 5.994 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.681 6.918 3.733 1.00 0.00 H new ATOM 616 N TRP A 395 -12.871 -0.128 2.726 1.00 0.00 N ATOM 617 CA TRP A 395 -13.579 -1.365 2.432 1.00 0.00 C ATOM 618 C TRP A 395 -15.011 -1.335 2.961 1.00 0.00 C ATOM 619 O TRP A 395 -15.290 -0.722 3.992 1.00 0.00 O ATOM 620 CB TRP A 395 -12.826 -2.557 3.034 1.00 0.00 C ATOM 621 CG TRP A 395 -13.444 -3.883 2.713 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.901 -4.812 3.604 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.663 -4.436 1.410 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.399 -5.903 2.933 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.263 -5.696 1.586 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.412 -3.984 0.111 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.616 -6.510 0.512 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.761 -4.792 -0.953 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.358 -6.043 -0.747 1.00 0.00 C ATOM 0 H TRP A 395 -12.256 -0.183 3.538 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.625 -1.471 1.348 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.798 -2.547 2.671 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.782 -2.439 4.117 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.875 -4.705 4.678 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.804 -6.732 3.368 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.954 -3.021 -0.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.076 -7.474 0.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.571 -4.454 -1.961 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.620 -6.651 -1.600 1.00 0.00 H new ATOM 640 N HIS A 396 -15.906 -2.016 2.253 1.00 0.00 N ATOM 641 CA HIS A 396 -17.308 -2.094 2.648 1.00 0.00 C ATOM 642 C HIS A 396 -17.820 -3.518 2.480 1.00 0.00 C ATOM 643 O HIS A 396 -17.942 -4.019 1.359 1.00 0.00 O ATOM 644 CB HIS A 396 -18.157 -1.129 1.818 1.00 0.00 C ATOM 645 CG HIS A 396 -17.841 0.312 2.066 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.975 0.908 3.302 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.397 1.280 1.229 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.630 2.180 3.214 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.275 2.430 1.967 1.00 0.00 N ATOM 0 H HIS A 396 -15.683 -2.525 1.397 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.387 -1.809 3.697 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -18.011 -1.347 0.760 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.210 -1.304 2.037 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.291 0.440 4.151 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -17.180 1.167 0.177 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.637 2.894 4.024 1.00 0.00 H new ATOM 658 N ASN A 397 -18.103 -4.165 3.608 1.00 0.00 N ATOM 659 CA ASN A 397 -18.588 -5.540 3.615 1.00 0.00 C ATOM 660 C ASN A 397 -20.091 -5.614 3.372 1.00 0.00 C ATOM 661 O ASN A 397 -20.848 -4.749 3.812 1.00 0.00 O ATOM 662 CB ASN A 397 -18.246 -6.214 4.946 1.00 0.00 C ATOM 663 CG ASN A 397 -18.722 -7.652 5.003 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.323 -8.484 4.187 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.579 -7.955 5.972 1.00 0.00 N ATOM 0 H ASN A 397 -18.003 -3.753 4.536 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.091 -6.065 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.167 -6.185 5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.699 -5.651 5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.932 -8.908 6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.884 -7.235 6.627 1.00 0.00 H new ATOM 672 N ASP A 398 -20.509 -6.667 2.674 1.00 0.00 N ATOM 673 CA ASP A 398 -21.918 -6.889 2.370 1.00 0.00 C ATOM 674 C ASP A 398 -22.506 -5.715 1.589 1.00 0.00 C ATOM 675 O ASP A 398 -23.666 -5.347 1.780 1.00 0.00 O ATOM 676 CB ASP A 398 -22.707 -7.117 3.663 1.00 0.00 C ATOM 677 CG ASP A 398 -24.147 -7.516 3.407 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.367 -8.564 2.763 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.055 -6.782 3.851 1.00 0.00 O ATOM 0 H ASP A 398 -19.885 -7.385 2.306 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.994 -7.779 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.218 -7.894 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.688 -6.206 4.261 1.00 0.00 H new ATOM 684 N ALA A 399 -21.706 -5.138 0.699 1.00 0.00 N ATOM 685 CA ALA A 399 -22.160 -4.019 -0.117 1.00 0.00 C ATOM 686 C ALA A 399 -22.862 -4.524 -1.372 1.00 0.00 C ATOM 687 O ALA A 399 -23.009 -3.790 -2.351 1.00 0.00 O ATOM 688 CB ALA A 399 -20.986 -3.124 -0.481 1.00 0.00 C ATOM 0 H ALA A 399 -20.743 -5.426 0.525 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.875 -3.433 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.338 -2.292 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.527 -2.738 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.250 -3.699 -1.043 1.00 0.00 H new ATOM 694 N GLU A 400 -23.284 -5.789 -1.321 1.00 0.00 N ATOM 695 CA GLU A 400 -23.966 -6.452 -2.414 1.00 0.00 C ATOM 696 C GLU A 400 -22.981 -6.822 -3.515 1.00 0.00 C ATOM 697 O GLU A 400 -23.018 -7.930 -4.050 1.00 0.00 O ATOM 698 CB GLU A 400 -25.082 -5.574 -2.967 1.00 0.00 C ATOM 699 CG GLU A 400 -25.858 -6.245 -4.072 1.00 0.00 C ATOM 700 CD GLU A 400 -26.740 -7.374 -3.573 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.197 -8.353 -3.018 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.975 -7.279 -3.737 1.00 0.00 O ATOM 0 H GLU A 400 -23.155 -6.384 -0.502 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.413 -7.369 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.764 -5.309 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.655 -4.644 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.477 -5.503 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.161 -6.636 -4.813 1.00 0.00 H new ATOM 709 N ASN A 401 -22.099 -5.886 -3.836 1.00 0.00 N ATOM 710 CA ASN A 401 -21.089 -6.083 -4.864 1.00 0.00 C ATOM 711 C ASN A 401 -19.704 -5.731 -4.327 1.00 0.00 C ATOM 712 O ASN A 401 -18.756 -5.574 -5.097 1.00 0.00 O ATOM 713 CB ASN A 401 -21.405 -5.186 -6.058 1.00 0.00 C ATOM 714 CG ASN A 401 -22.631 -5.607 -6.861 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.271 -6.708 -6.480 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -22.999 -4.940 -7.828 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.064 -4.969 -3.391 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.095 -7.130 -5.167 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.553 -4.167 -5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.541 -5.169 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.485 -4.100 -8.093 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.818 -5.227 -8.364 1.00 0.00 H new ATOM 723 N LYS A 402 -19.601 -5.601 -3.003 1.00 0.00 N ATOM 724 CA LYS A 402 -18.338 -5.254 -2.352 1.00 0.00 C ATOM 725 C LYS A 402 -17.875 -3.861 -2.774 1.00 0.00 C ATOM 726 O LYS A 402 -17.811 -3.553 -3.964 1.00 0.00 O ATOM 727 CB LYS A 402 -17.259 -6.288 -2.687 1.00 0.00 C ATOM 728 CG LYS A 402 -17.591 -7.697 -2.221 1.00 0.00 C ATOM 729 CD LYS A 402 -17.679 -7.781 -0.705 1.00 0.00 C ATOM 730 CE LYS A 402 -17.982 -9.197 -0.241 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.014 -9.299 1.244 1.00 0.00 N ATOM 0 H LYS A 402 -20.381 -5.732 -2.359 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.503 -5.254 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.103 -6.300 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.318 -5.978 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.538 -8.011 -2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.829 -8.388 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.739 -7.447 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.456 -7.106 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.942 -9.515 -0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.228 -9.878 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.833 -10.283 1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.283 -8.681 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.949 -9.005 1.592 1.00 0.00 H new ATOM 745 N LYS A 403 -17.554 -3.016 -1.797 1.00 0.00 N ATOM 746 CA LYS A 403 -17.104 -1.659 -2.095 1.00 0.00 C ATOM 747 C LYS A 403 -15.735 -1.368 -1.490 1.00 0.00 C ATOM 748 O LYS A 403 -15.408 -1.835 -0.401 1.00 0.00 O ATOM 749 CB LYS A 403 -18.118 -0.629 -1.597 1.00 0.00 C ATOM 750 CG LYS A 403 -19.466 -0.715 -2.290 1.00 0.00 C ATOM 751 CD LYS A 403 -20.407 0.389 -1.829 1.00 0.00 C ATOM 752 CE LYS A 403 -19.864 1.770 -2.168 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.782 2.854 -1.721 1.00 0.00 N ATOM 0 H LYS A 403 -17.596 -3.243 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.018 -1.583 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.261 -0.763 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.708 0.371 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.326 -0.647 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.918 -1.686 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.382 0.256 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.559 0.312 -0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -18.890 1.902 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.711 1.845 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -20.376 3.778 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.704 2.743 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.909 2.799 -0.690 1.00 0.00 H new ATOM 767 N CYS A 404 -14.946 -0.578 -2.212 1.00 0.00 N ATOM 768 CA CYS A 404 -13.608 -0.195 -1.772 1.00 0.00 C ATOM 769 C CYS A 404 -13.287 1.214 -2.264 1.00 0.00 C ATOM 770 O CYS A 404 -12.458 1.394 -3.153 1.00 0.00 O ATOM 771 CB CYS A 404 -12.560 -1.182 -2.297 1.00 0.00 C ATOM 772 SG CYS A 404 -10.850 -0.781 -1.808 1.00 0.00 S ATOM 0 H CYS A 404 -15.214 -0.187 -3.115 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.583 -0.214 -0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.805 -2.181 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.618 -1.212 -3.385 1.00 0.00 H new ATOM 777 N THR A 405 -13.968 2.206 -1.698 1.00 0.00 N ATOM 778 CA THR A 405 -13.766 3.597 -2.101 1.00 0.00 C ATOM 779 C THR A 405 -12.651 4.265 -1.307 1.00 0.00 C ATOM 780 O THR A 405 -12.625 4.202 -0.081 1.00 0.00 O ATOM 781 CB THR A 405 -15.051 4.427 -1.943 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.480 4.415 -0.575 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.161 3.889 -2.834 1.00 0.00 C ATOM 0 H THR A 405 -14.662 2.075 -0.962 1.00 0.00 H new ATOM 0 HA THR A 405 -13.483 3.565 -3.153 1.00 0.00 H new ATOM 0 HB THR A 405 -14.832 5.451 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.697 4.373 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.058 4.494 -2.703 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.844 3.931 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.377 2.856 -2.562 1.00 0.00 H new ATOM 791 N LEU A 406 -11.741 4.922 -2.020 1.00 0.00 N ATOM 792 CA LEU A 406 -10.625 5.619 -1.394 1.00 0.00 C ATOM 793 C LEU A 406 -11.136 6.676 -0.426 1.00 0.00 C ATOM 794 O LEU A 406 -12.144 7.334 -0.681 1.00 0.00 O ATOM 795 CB LEU A 406 -9.735 6.253 -2.465 1.00 0.00 C ATOM 796 CG LEU A 406 -8.398 6.827 -1.984 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.595 8.154 -1.273 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.682 5.833 -1.085 1.00 0.00 C ATOM 0 H LEU A 406 -11.756 4.986 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.031 4.899 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.530 5.502 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.297 7.053 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.775 7.009 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.629 8.537 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.054 8.868 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.243 8.011 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.735 6.259 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.304 5.613 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.493 4.913 -1.638 1.00 0.00 H new ATOM 810 N ASP A 407 -10.434 6.826 0.684 1.00 0.00 N ATOM 811 CA ASP A 407 -10.809 7.799 1.704 1.00 0.00 C ATOM 812 C ASP A 407 -9.806 8.947 1.745 1.00 0.00 C ATOM 813 O ASP A 407 -8.599 8.722 1.780 1.00 0.00 O ATOM 814 CB ASP A 407 -10.888 7.115 3.071 1.00 0.00 C ATOM 815 CG ASP A 407 -11.474 8.014 4.142 1.00 0.00 C ATOM 816 OD1 ASP A 407 -10.885 9.079 4.414 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.524 7.648 4.712 1.00 0.00 O ATOM 0 H ASP A 407 -9.598 6.286 0.905 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.788 8.208 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.495 6.213 2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.889 6.800 3.373 1.00 0.00 H new ATOM 822 N LYS A 408 -10.313 10.177 1.739 1.00 0.00 N ATOM 823 CA LYS A 408 -9.457 11.359 1.771 1.00 0.00 C ATOM 824 C LYS A 408 -8.707 11.462 3.097 1.00 0.00 C ATOM 825 O LYS A 408 -7.504 11.721 3.120 1.00 0.00 O ATOM 826 CB LYS A 408 -10.281 12.630 1.539 1.00 0.00 C ATOM 827 CG LYS A 408 -10.789 12.790 0.112 1.00 0.00 C ATOM 828 CD LYS A 408 -11.775 11.697 -0.272 1.00 0.00 C ATOM 829 CE LYS A 408 -12.260 11.862 -1.704 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.963 13.158 -1.907 1.00 0.00 N ATOM 0 H LYS A 408 -11.312 10.381 1.712 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.726 11.258 0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.133 12.627 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.672 13.497 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.268 13.763 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -9.944 12.774 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.302 10.722 -0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.627 11.720 0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.411 11.800 -2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.932 11.041 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -13.465 13.142 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.646 13.306 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.269 13.933 -1.908 1.00 0.00 H new ATOM 844 N GLU A 409 -9.425 11.261 4.198 1.00 0.00 N ATOM 845 CA GLU A 409 -8.828 11.335 5.527 1.00 0.00 C ATOM 846 C GLU A 409 -7.729 10.288 5.698 1.00 0.00 C ATOM 847 O GLU A 409 -6.645 10.588 6.201 1.00 0.00 O ATOM 848 CB GLU A 409 -9.898 11.146 6.609 1.00 0.00 C ATOM 849 CG GLU A 409 -10.832 12.337 6.789 1.00 0.00 C ATOM 850 CD GLU A 409 -11.653 12.655 5.553 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.072 13.126 4.553 1.00 0.00 O ATOM 852 OE2 GLU A 409 -12.882 12.434 5.585 1.00 0.00 O ATOM 0 H GLU A 409 -10.422 11.045 4.196 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.382 12.324 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.494 10.267 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.404 10.941 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.506 12.137 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -10.243 13.213 7.059 1.00 0.00 H new ATOM 859 N GLU A 410 -8.012 9.059 5.282 1.00 0.00 N ATOM 860 CA GLU A 410 -7.042 7.977 5.397 1.00 0.00 C ATOM 861 C GLU A 410 -5.872 8.184 4.441 1.00 0.00 C ATOM 862 O GLU A 410 -4.717 7.986 4.812 1.00 0.00 O ATOM 863 CB GLU A 410 -7.709 6.628 5.125 1.00 0.00 C ATOM 864 CG GLU A 410 -8.782 6.268 6.141 1.00 0.00 C ATOM 865 CD GLU A 410 -9.402 4.907 5.885 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.002 4.245 4.903 1.00 0.00 O ATOM 867 OE2 GLU A 410 -10.290 4.504 6.666 1.00 0.00 O ATOM 0 H GLU A 410 -8.902 8.788 4.864 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.656 7.982 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.153 6.645 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.947 5.849 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.348 6.282 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.564 7.028 6.122 1.00 0.00 H new ATOM 874 N ALA A 411 -6.178 8.580 3.208 1.00 0.00 N ATOM 875 CA ALA A 411 -5.150 8.807 2.197 1.00 0.00 C ATOM 876 C ALA A 411 -4.141 9.857 2.648 1.00 0.00 C ATOM 877 O ALA A 411 -2.932 9.649 2.543 1.00 0.00 O ATOM 878 CB ALA A 411 -5.784 9.226 0.879 1.00 0.00 C ATOM 0 H ALA A 411 -7.130 8.750 2.885 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.616 7.867 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.004 9.391 0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.455 8.440 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.348 10.147 1.023 1.00 0.00 H new ATOM 884 N LYS A 412 -4.638 10.987 3.145 1.00 0.00 N ATOM 885 CA LYS A 412 -3.765 12.061 3.603 1.00 0.00 C ATOM 886 C LYS A 412 -2.879 11.584 4.752 1.00 0.00 C ATOM 887 O LYS A 412 -1.701 11.926 4.815 1.00 0.00 O ATOM 888 CB LYS A 412 -4.582 13.287 4.024 1.00 0.00 C ATOM 889 CG LYS A 412 -5.522 13.032 5.190 1.00 0.00 C ATOM 890 CD LYS A 412 -6.359 14.261 5.520 1.00 0.00 C ATOM 891 CE LYS A 412 -5.492 15.437 5.940 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.310 16.637 6.271 1.00 0.00 N ATOM 0 H LYS A 412 -5.635 11.181 3.240 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.122 12.351 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.898 14.092 4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.164 13.634 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.181 12.197 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -4.943 12.740 6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.954 14.540 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.058 14.020 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -4.893 15.156 6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.797 15.681 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.683 17.418 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.863 16.921 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.956 16.412 7.054 1.00 0.00 H new