USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 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= 0.0802 K(o=0.7,f=-5!) USER MOD Set 1.2: A 405 THR OG1 : rot -151:sc= 0.623 USER MOD Set 2.1: A 377 THR OG1 : rot 7:sc= 0.735 USER MOD Set 2.2: A 380 SER OG : rot -23:sc= 1.34 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.09 F(o=-3.8!,f=-1.1) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -116:sc= -0.672 (180deg=-3.82!) USER MOD Single : A 386 GLN :FLIP amide:sc= 0 F(o=-0.97!,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) 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+ -171:sc= -0.0786 (180deg=-0.106) USER MOD Single : A 397 ASN : amide:sc= -0.0424 K(o=-0.042,f=-4!) USER MOD Single : A 401 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.6) USER MOD Single : A 402 LYS NZ :NH3+ -176:sc= -1.73 (180deg=-1.84) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 170:sc= -0.0257 (180deg=-0.171) USER MOD Single : A 412 LYS NZ :NH3+ -166:sc= -0.0491 (180deg=-0.285) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.167 6.588 -3.935 1.00 0.00 N ATOM 340 CA GLU A 376 -4.451 6.892 -3.323 1.00 0.00 C ATOM 341 C GLU A 376 -5.358 7.651 -4.282 1.00 0.00 C ATOM 342 O GLU A 376 -5.176 8.847 -4.510 1.00 0.00 O ATOM 343 CB GLU A 376 -4.232 7.720 -2.059 1.00 0.00 C ATOM 344 CG GLU A 376 -3.160 8.786 -2.226 1.00 0.00 C ATOM 345 CD GLU A 376 -3.224 9.858 -1.155 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.257 10.553 -1.071 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.239 10.002 -0.400 1.00 0.00 O ATOM 0 HA GLU A 376 -4.938 5.950 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.170 8.197 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.953 7.057 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.178 8.314 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.267 9.251 -3.206 1.00 0.00 H new ATOM 354 N THR A 377 -6.347 6.945 -4.819 1.00 0.00 N ATOM 355 CA THR A 377 -7.312 7.531 -5.743 1.00 0.00 C ATOM 356 C THR A 377 -8.580 6.696 -5.791 1.00 0.00 C ATOM 357 O THR A 377 -8.529 5.466 -5.738 1.00 0.00 O ATOM 358 CB THR A 377 -6.763 7.654 -7.179 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.241 6.393 -7.614 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.683 8.721 -7.279 1.00 0.00 C ATOM 0 H THR A 377 -6.502 5.955 -4.628 1.00 0.00 H new ATOM 0 HA THR A 377 -7.522 8.532 -5.365 1.00 0.00 H new ATOM 0 HB THR A 377 -7.589 7.952 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.441 5.707 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.321 8.778 -8.306 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.097 9.686 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.856 8.465 -6.617 1.00 0.00 H new ATOM 368 N GLU A 378 -9.715 7.370 -5.892 1.00 0.00 N ATOM 369 CA GLU A 378 -11.001 6.692 -5.951 1.00 0.00 C ATOM 370 C GLU A 378 -11.034 5.725 -7.123 1.00 0.00 C ATOM 371 O GLU A 378 -11.585 4.630 -7.029 1.00 0.00 O ATOM 372 CB GLU A 378 -12.132 7.712 -6.083 1.00 0.00 C ATOM 373 CG GLU A 378 -13.522 7.096 -6.039 1.00 0.00 C ATOM 374 CD GLU A 378 -14.623 8.133 -6.160 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.654 8.848 -7.183 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.453 8.228 -5.232 1.00 0.00 O ATOM 0 H GLU A 378 -9.772 8.388 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.139 6.130 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.044 8.444 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.014 8.252 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.620 6.371 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.644 6.549 -5.104 1.00 0.00 H new ATOM 383 N GLY A 379 -10.440 6.149 -8.229 1.00 0.00 N ATOM 384 CA GLY A 379 -10.408 5.326 -9.420 1.00 0.00 C ATOM 385 C GLY A 379 -9.621 4.045 -9.245 1.00 0.00 C ATOM 386 O GLY A 379 -10.005 3.005 -9.779 1.00 0.00 O ATOM 0 H GLY A 379 -9.977 7.053 -8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.429 5.079 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.975 5.901 -10.238 1.00 0.00 H new ATOM 390 N SER A 380 -8.514 4.109 -8.512 1.00 0.00 N ATOM 391 CA SER A 380 -7.687 2.928 -8.300 1.00 0.00 C ATOM 392 C SER A 380 -8.374 1.929 -7.375 1.00 0.00 C ATOM 393 O SER A 380 -8.437 0.739 -7.671 1.00 0.00 O ATOM 394 CB SER A 380 -6.327 3.324 -7.719 1.00 0.00 C ATOM 395 OG SER A 380 -6.472 3.926 -6.444 1.00 0.00 O ATOM 0 H SER A 380 -8.172 4.957 -8.059 1.00 0.00 H new ATOM 0 HA SER A 380 -7.538 2.451 -9.269 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.692 2.442 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.826 4.016 -8.396 1.00 0.00 H new ATOM 0 HG SER A 380 -7.376 4.295 -6.357 1.00 0.00 H new ATOM 401 N CYS A 381 -8.873 2.422 -6.250 1.00 0.00 N ATOM 402 CA CYS A 381 -9.539 1.575 -5.263 1.00 0.00 C ATOM 403 C CYS A 381 -10.701 0.785 -5.861 1.00 0.00 C ATOM 404 O CYS A 381 -10.836 -0.412 -5.610 1.00 0.00 O ATOM 405 CB CYS A 381 -10.029 2.428 -4.097 1.00 0.00 C ATOM 406 SG CYS A 381 -8.686 3.229 -3.167 1.00 0.00 S ATOM 0 H CYS A 381 -8.830 3.409 -5.995 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.807 0.849 -4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.704 3.195 -4.477 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.607 1.802 -3.417 1.00 0.00 H new ATOM 411 N ASN A 382 -11.539 1.459 -6.638 1.00 0.00 N ATOM 412 CA ASN A 382 -12.696 0.816 -7.258 1.00 0.00 C ATOM 413 C ASN A 382 -12.289 -0.428 -8.041 1.00 0.00 C ATOM 414 O ASN A 382 -13.094 -1.338 -8.244 1.00 0.00 O ATOM 415 CB ASN A 382 -13.412 1.794 -8.192 1.00 0.00 C ATOM 416 CG ASN A 382 -13.899 3.044 -7.481 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.657 3.126 -6.178 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.487 3.929 -8.100 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.441 2.451 -6.855 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.372 0.515 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.735 2.081 -8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.262 1.291 -8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.653 3.827 -9.101 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.809 4.765 -7.612 1.00 0.00 H new ATOM 425 N LYS A 383 -11.043 -0.451 -8.496 1.00 0.00 N ATOM 426 CA LYS A 383 -10.531 -1.567 -9.277 1.00 0.00 C ATOM 427 C LYS A 383 -9.933 -2.648 -8.382 1.00 0.00 C ATOM 428 O LYS A 383 -10.002 -3.837 -8.694 1.00 0.00 O ATOM 429 CB LYS A 383 -9.472 -1.061 -10.256 1.00 0.00 C ATOM 430 CG LYS A 383 -9.846 0.250 -10.932 1.00 0.00 C ATOM 431 CD LYS A 383 -11.155 0.140 -11.697 1.00 0.00 C ATOM 432 CE LYS A 383 -11.490 1.438 -12.414 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.773 1.345 -13.163 1.00 0.00 N ATOM 0 H LYS A 383 -10.366 0.295 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.363 -2.009 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.530 -0.930 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.304 -1.819 -11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.930 1.035 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.050 0.546 -11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.087 -0.671 -12.422 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.960 -0.115 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.552 2.248 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.685 1.690 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.964 2.251 -13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -12.706 0.589 -13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.546 1.130 -12.502 1.00 0.00 H new ATOM 447 N LYS A 384 -9.324 -2.222 -7.282 1.00 0.00 N ATOM 448 CA LYS A 384 -8.684 -3.134 -6.347 1.00 0.00 C ATOM 449 C LYS A 384 -9.687 -4.022 -5.616 1.00 0.00 C ATOM 450 O LYS A 384 -10.677 -3.541 -5.065 1.00 0.00 O ATOM 451 CB LYS A 384 -7.861 -2.327 -5.345 1.00 0.00 C ATOM 452 CG LYS A 384 -6.491 -1.886 -5.858 1.00 0.00 C ATOM 453 CD LYS A 384 -6.532 -1.350 -7.284 1.00 0.00 C ATOM 454 CE LYS A 384 -6.242 -2.437 -8.309 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.287 -1.912 -9.702 1.00 0.00 N ATOM 0 H LYS A 384 -9.261 -1.239 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.036 -3.799 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.429 -1.442 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.722 -2.924 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.093 -1.116 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.803 -2.731 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.513 -0.918 -7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.803 -0.547 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.259 -2.867 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.969 -3.242 -8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.064 -2.370 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.443 -0.884 -9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.385 -2.115 -10.179 1.00 0.00 H new ATOM 469 N ASP A 385 -9.405 -5.326 -5.602 1.00 0.00 N ATOM 470 CA ASP A 385 -10.260 -6.293 -4.922 1.00 0.00 C ATOM 471 C ASP A 385 -10.117 -6.141 -3.411 1.00 0.00 C ATOM 472 O ASP A 385 -9.382 -5.276 -2.944 1.00 0.00 O ATOM 473 CB ASP A 385 -9.894 -7.718 -5.344 1.00 0.00 C ATOM 474 CG ASP A 385 -10.068 -7.943 -6.834 1.00 0.00 C ATOM 475 OD1 ASP A 385 -9.403 -7.240 -7.622 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.869 -8.823 -7.211 1.00 0.00 O ATOM 0 H ASP A 385 -8.588 -5.735 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.296 -6.103 -5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.860 -7.922 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.516 -8.427 -4.797 1.00 0.00 H new ATOM 481 N GLN A 386 -10.818 -6.981 -2.651 1.00 0.00 N ATOM 482 CA GLN A 386 -10.758 -6.920 -1.191 1.00 0.00 C ATOM 483 C GLN A 386 -9.314 -6.845 -0.703 1.00 0.00 C ATOM 484 O GLN A 386 -8.947 -5.934 0.040 1.00 0.00 O ATOM 485 CB GLN A 386 -11.451 -8.140 -0.579 1.00 0.00 C ATOM 486 CG GLN A 386 -11.432 -8.155 0.943 1.00 0.00 C ATOM 487 CD GLN A 386 -12.135 -9.363 1.540 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.706 -10.211 0.688 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -12.167 -9.532 2.758 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.431 -7.708 -3.019 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.276 -6.016 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.486 -8.169 -0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.968 -9.045 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.398 -8.138 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.906 -7.247 1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.717 -8.859 3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.643 -10.345 3.148 1.00 0.00 H new ATOM 498 N ASN A 387 -8.496 -7.801 -1.130 1.00 0.00 N ATOM 499 CA ASN A 387 -7.091 -7.834 -0.741 1.00 0.00 C ATOM 500 C ASN A 387 -6.330 -6.667 -1.359 1.00 0.00 C ATOM 501 O ASN A 387 -5.396 -6.133 -0.760 1.00 0.00 O ATOM 502 CB ASN A 387 -6.450 -9.157 -1.164 1.00 0.00 C ATOM 503 CG ASN A 387 -4.994 -9.247 -0.766 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.651 -9.129 0.410 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.129 -9.466 -1.745 1.00 0.00 N ATOM 0 H ASN A 387 -8.782 -8.563 -1.745 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.039 -7.746 0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.999 -9.984 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.536 -9.270 -2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.133 -9.543 -1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.459 -9.557 -2.706 1.00 0.00 H new ATOM 512 N GLU A 388 -6.738 -6.276 -2.563 1.00 0.00 N ATOM 513 CA GLU A 388 -6.099 -5.172 -3.270 1.00 0.00 C ATOM 514 C GLU A 388 -6.509 -3.836 -2.670 1.00 0.00 C ATOM 515 O GLU A 388 -5.869 -2.815 -2.921 1.00 0.00 O ATOM 516 CB GLU A 388 -6.449 -5.220 -4.756 1.00 0.00 C ATOM 517 CG GLU A 388 -6.013 -6.504 -5.443 1.00 0.00 C ATOM 518 CD GLU A 388 -6.358 -6.525 -6.921 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.931 -5.530 -7.413 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.054 -7.537 -7.585 1.00 0.00 O ATOM 0 H GLU A 388 -7.510 -6.709 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.019 -5.276 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.527 -5.104 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.982 -4.373 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.937 -6.627 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.488 -7.353 -4.951 1.00 0.00 H new ATOM 527 N CYS A 389 -7.573 -3.847 -1.871 1.00 0.00 N ATOM 528 CA CYS A 389 -8.045 -2.628 -1.235 1.00 0.00 C ATOM 529 C CYS A 389 -6.918 -2.058 -0.383 1.00 0.00 C ATOM 530 O CYS A 389 -6.668 -2.512 0.733 1.00 0.00 O ATOM 531 CB CYS A 389 -9.289 -2.917 -0.389 1.00 0.00 C ATOM 532 SG CYS A 389 -10.328 -1.455 -0.061 1.00 0.00 S ATOM 0 H CYS A 389 -8.118 -4.681 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.328 -1.896 -1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.892 -3.671 -0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.975 -3.347 0.562 1.00 0.00 H new ATOM 537 N LYS A 390 -6.211 -1.091 -0.953 1.00 0.00 N ATOM 538 CA LYS A 390 -5.063 -0.472 -0.302 1.00 0.00 C ATOM 539 C LYS A 390 -5.466 0.389 0.891 1.00 0.00 C ATOM 540 O LYS A 390 -6.630 0.757 1.044 1.00 0.00 O ATOM 541 CB LYS A 390 -4.295 0.349 -1.330 1.00 0.00 C ATOM 542 CG LYS A 390 -3.816 -0.479 -2.517 1.00 0.00 C ATOM 543 CD LYS A 390 -2.707 -1.441 -2.125 1.00 0.00 C ATOM 544 CE LYS A 390 -2.267 -2.284 -3.311 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.205 -3.260 -2.940 1.00 0.00 N ATOM 0 H LYS A 390 -6.416 -0.714 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.425 -1.263 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.932 1.157 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.435 0.813 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.654 -1.040 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.459 0.186 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.856 -0.881 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.053 -2.091 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.127 -2.820 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.899 -1.631 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.934 -3.814 -3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.374 -2.749 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.564 -3.900 -2.203 1.00 0.00 H new ATOM 559 N SER A 391 -4.484 0.684 1.744 1.00 0.00 N ATOM 560 CA SER A 391 -4.701 1.477 2.944 1.00 0.00 C ATOM 561 C SER A 391 -5.494 2.755 2.652 1.00 0.00 C ATOM 562 O SER A 391 -6.503 3.015 3.308 1.00 0.00 O ATOM 563 CB SER A 391 -3.357 1.817 3.585 1.00 0.00 C ATOM 564 OG SER A 391 -2.630 0.642 3.899 1.00 0.00 O ATOM 0 H SER A 391 -3.519 0.378 1.618 1.00 0.00 H new ATOM 0 HA SER A 391 -5.296 0.882 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.774 2.439 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.520 2.401 4.491 1.00 0.00 H new ATOM 0 HG SER A 391 -1.773 0.887 4.306 1.00 0.00 H new ATOM 570 N PRO A 392 -5.071 3.573 1.663 1.00 0.00 N ATOM 571 CA PRO A 392 -5.773 4.807 1.312 1.00 0.00 C ATOM 572 C PRO A 392 -7.256 4.566 1.070 1.00 0.00 C ATOM 573 O PRO A 392 -8.095 5.414 1.372 1.00 0.00 O ATOM 574 CB PRO A 392 -5.096 5.245 0.003 1.00 0.00 C ATOM 575 CG PRO A 392 -4.316 4.065 -0.453 1.00 0.00 C ATOM 576 CD PRO A 392 -3.895 3.384 0.801 1.00 0.00 C ATOM 0 HA PRO A 392 -5.717 5.549 2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.835 5.539 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.447 6.106 0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.921 3.407 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.454 4.366 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.674 2.329 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.999 3.834 1.229 1.00 0.00 H new ATOM 584 N CYS A 393 -7.561 3.405 0.504 1.00 0.00 N ATOM 585 CA CYS A 393 -8.933 3.032 0.187 1.00 0.00 C ATOM 586 C CYS A 393 -9.803 2.914 1.436 1.00 0.00 C ATOM 587 O CYS A 393 -9.502 3.484 2.485 1.00 0.00 O ATOM 588 CB CYS A 393 -8.938 1.706 -0.573 1.00 0.00 C ATOM 589 SG CYS A 393 -7.908 1.714 -2.073 1.00 0.00 S ATOM 0 H CYS A 393 -6.868 2.699 0.253 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.357 3.823 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.589 0.916 0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.963 1.460 -0.849 1.00 0.00 H new ATOM 594 N LYS A 394 -10.888 2.161 1.299 1.00 0.00 N ATOM 595 CA LYS A 394 -11.833 1.938 2.385 1.00 0.00 C ATOM 596 C LYS A 394 -12.732 0.760 2.046 1.00 0.00 C ATOM 597 O LYS A 394 -13.527 0.823 1.109 1.00 0.00 O ATOM 598 CB LYS A 394 -12.678 3.194 2.622 1.00 0.00 C ATOM 599 CG LYS A 394 -13.705 3.042 3.735 1.00 0.00 C ATOM 600 CD LYS A 394 -13.043 2.932 5.099 1.00 0.00 C ATOM 601 CE LYS A 394 -12.349 4.227 5.491 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.727 4.137 6.841 1.00 0.00 N ATOM 0 H LYS A 394 -11.137 1.688 0.431 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.279 1.716 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.016 4.026 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.194 3.454 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.381 3.897 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.311 2.155 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.793 2.679 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.317 2.119 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.583 4.466 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.070 5.044 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.399 5.079 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.429 3.786 7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.919 3.483 6.808 1.00 0.00 H new ATOM 616 N TRP A 395 -12.588 -0.321 2.802 1.00 0.00 N ATOM 617 CA TRP A 395 -13.375 -1.519 2.562 1.00 0.00 C ATOM 618 C TRP A 395 -14.797 -1.363 3.087 1.00 0.00 C ATOM 619 O TRP A 395 -15.013 -1.180 4.285 1.00 0.00 O ATOM 620 CB TRP A 395 -12.702 -2.728 3.212 1.00 0.00 C ATOM 621 CG TRP A 395 -13.323 -4.038 2.832 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.786 -5.000 3.682 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.538 -4.536 1.504 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.280 -6.064 2.967 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.137 -5.804 1.629 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.282 -4.036 0.222 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.487 -6.575 0.524 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.630 -4.804 -0.873 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.226 -6.061 -0.717 1.00 0.00 C ATOM 0 H TRP A 395 -11.936 -0.391 3.583 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.431 -1.676 1.485 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.649 -2.740 2.933 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.743 -2.617 4.296 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.767 -4.934 4.760 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.687 -6.910 3.367 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.821 -3.068 0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.948 -7.544 0.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.439 -4.428 -1.867 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.485 -6.636 -1.593 1.00 0.00 H new ATOM 640 N HIS A 396 -15.765 -1.453 2.180 1.00 0.00 N ATOM 641 CA HIS A 396 -17.172 -1.339 2.544 1.00 0.00 C ATOM 642 C HIS A 396 -17.789 -2.711 2.760 1.00 0.00 C ATOM 643 O HIS A 396 -18.168 -3.385 1.798 1.00 0.00 O ATOM 644 CB HIS A 396 -17.949 -0.591 1.456 1.00 0.00 C ATOM 645 CG HIS A 396 -17.664 0.877 1.416 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.881 1.715 2.489 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.182 1.659 0.422 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.548 2.950 2.156 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.121 2.943 0.907 1.00 0.00 N ATOM 0 H HIS A 396 -15.599 -1.605 1.185 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.231 -0.777 3.476 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.708 -1.026 0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.017 -0.741 1.616 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.242 1.427 3.398 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.898 1.334 -0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.614 3.817 2.797 1.00 0.00 H new ATOM 658 N ASN A 397 -17.905 -3.118 4.022 1.00 0.00 N ATOM 659 CA ASN A 397 -18.498 -4.407 4.342 1.00 0.00 C ATOM 660 C ASN A 397 -20.015 -4.319 4.221 1.00 0.00 C ATOM 661 O ASN A 397 -20.716 -4.073 5.203 1.00 0.00 O ATOM 662 CB ASN A 397 -18.093 -4.850 5.752 1.00 0.00 C ATOM 663 CG ASN A 397 -18.452 -3.827 6.813 1.00 0.00 C ATOM 664 OD1 ASN A 397 -17.975 -2.692 6.784 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.294 -4.225 7.760 1.00 0.00 N ATOM 0 H ASN A 397 -17.598 -2.577 4.831 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.130 -5.152 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.581 -5.796 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.018 -5.031 5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.569 -3.581 8.501 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.666 -5.175 7.746 1.00 0.00 H new ATOM 672 N ASP A 398 -20.495 -4.523 2.997 1.00 0.00 N ATOM 673 CA ASP A 398 -21.920 -4.471 2.676 1.00 0.00 C ATOM 674 C ASP A 398 -22.088 -4.366 1.161 1.00 0.00 C ATOM 675 O ASP A 398 -21.783 -5.312 0.435 1.00 0.00 O ATOM 676 CB ASP A 398 -22.608 -3.287 3.370 1.00 0.00 C ATOM 677 CG ASP A 398 -24.103 -3.257 3.120 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.785 -4.239 3.480 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.592 -2.252 2.563 1.00 0.00 O ATOM 0 H ASP A 398 -19.902 -4.731 2.193 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.393 -5.384 3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.423 -3.341 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.165 -2.356 3.017 1.00 0.00 H new ATOM 684 N ALA A 399 -22.557 -3.208 0.687 1.00 0.00 N ATOM 685 CA ALA A 399 -22.745 -2.980 -0.741 1.00 0.00 C ATOM 686 C ALA A 399 -23.510 -4.134 -1.384 1.00 0.00 C ATOM 687 O ALA A 399 -24.186 -4.900 -0.696 1.00 0.00 O ATOM 688 CB ALA A 399 -21.387 -2.787 -1.413 1.00 0.00 C ATOM 0 H ALA A 399 -22.813 -2.415 1.276 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.339 -2.076 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.530 -2.617 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.882 -1.927 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.778 -3.679 -1.266 1.00 0.00 H new ATOM 694 N GLU A 400 -23.389 -4.268 -2.700 1.00 0.00 N ATOM 695 CA GLU A 400 -24.057 -5.347 -3.416 1.00 0.00 C ATOM 696 C GLU A 400 -23.358 -6.665 -3.117 1.00 0.00 C ATOM 697 O GLU A 400 -23.995 -7.699 -2.920 1.00 0.00 O ATOM 698 CB GLU A 400 -24.046 -5.078 -4.922 1.00 0.00 C ATOM 699 CG GLU A 400 -24.718 -3.771 -5.314 1.00 0.00 C ATOM 700 CD GLU A 400 -24.671 -3.517 -6.809 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.106 -4.359 -7.538 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.200 -2.475 -7.250 1.00 0.00 O ATOM 0 H GLU A 400 -22.837 -3.646 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.094 -5.403 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.014 -5.065 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.546 -5.901 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.757 -3.788 -4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.232 -2.946 -4.793 1.00 0.00 H new ATOM 709 N ASN A 401 -22.030 -6.598 -3.075 1.00 0.00 N ATOM 710 CA ASN A 401 -21.184 -7.750 -2.792 1.00 0.00 C ATOM 711 C ASN A 401 -19.839 -7.261 -2.280 1.00 0.00 C ATOM 712 O ASN A 401 -18.786 -7.758 -2.681 1.00 0.00 O ATOM 713 CB ASN A 401 -20.976 -8.589 -4.055 1.00 0.00 C ATOM 714 CG ASN A 401 -22.278 -9.077 -4.650 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.877 -10.039 -4.169 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.737 -8.386 -5.682 1.00 0.00 N ATOM 0 H ASN A 401 -21.509 -5.736 -3.238 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.669 -8.372 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.442 -7.996 -4.797 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.345 -9.446 -3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -23.624 -8.644 -6.114 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.203 -7.596 -6.045 1.00 0.00 H new ATOM 723 N LYS A 402 -19.900 -6.254 -1.410 1.00 0.00 N ATOM 724 CA LYS A 402 -18.708 -5.630 -0.834 1.00 0.00 C ATOM 725 C LYS A 402 -18.049 -4.730 -1.873 1.00 0.00 C ATOM 726 O LYS A 402 -17.958 -5.100 -3.044 1.00 0.00 O ATOM 727 CB LYS A 402 -17.712 -6.689 -0.349 1.00 0.00 C ATOM 728 CG LYS A 402 -18.306 -7.696 0.627 1.00 0.00 C ATOM 729 CD LYS A 402 -18.737 -7.037 1.928 1.00 0.00 C ATOM 730 CE LYS A 402 -19.295 -8.059 2.907 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.719 -7.430 4.189 1.00 0.00 N ATOM 0 H LYS A 402 -20.777 -5.847 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 402 -19.011 -5.033 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.317 -7.224 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.869 -6.189 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.164 -8.186 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.571 -8.473 0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.886 -6.526 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.492 -6.278 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -20.146 -8.568 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.539 -8.818 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.029 -8.169 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.919 -6.909 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.505 -6.773 4.010 1.00 0.00 H new ATOM 745 N LYS A 403 -17.610 -3.542 -1.462 1.00 0.00 N ATOM 746 CA LYS A 403 -16.992 -2.619 -2.411 1.00 0.00 C ATOM 747 C LYS A 403 -15.865 -1.795 -1.787 1.00 0.00 C ATOM 748 O LYS A 403 -16.020 -1.222 -0.709 1.00 0.00 O ATOM 749 CB LYS A 403 -18.052 -1.681 -2.993 1.00 0.00 C ATOM 750 CG LYS A 403 -18.719 -0.790 -1.959 1.00 0.00 C ATOM 751 CD LYS A 403 -19.777 0.102 -2.590 1.00 0.00 C ATOM 752 CE LYS A 403 -20.457 0.980 -1.552 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.515 1.838 -2.155 1.00 0.00 N ATOM 0 H LYS A 403 -17.668 -3.202 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.550 -3.226 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -17.589 -1.054 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.816 -2.277 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.176 -1.408 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -17.966 -0.172 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.317 0.729 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.523 -0.515 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.897 0.352 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.712 1.610 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.954 2.421 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.091 2.456 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.240 1.237 -2.597 1.00 0.00 H new ATOM 767 N CYS A 404 -14.735 -1.721 -2.493 1.00 0.00 N ATOM 768 CA CYS A 404 -13.584 -0.945 -2.037 1.00 0.00 C ATOM 769 C CYS A 404 -13.622 0.450 -2.660 1.00 0.00 C ATOM 770 O CYS A 404 -13.860 0.591 -3.859 1.00 0.00 O ATOM 771 CB CYS A 404 -12.274 -1.647 -2.412 1.00 0.00 C ATOM 772 SG CYS A 404 -10.769 -0.741 -1.917 1.00 0.00 S ATOM 0 H CYS A 404 -14.594 -2.192 -3.387 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.631 -0.859 -0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.259 -2.634 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.253 -1.800 -3.491 1.00 0.00 H new ATOM 777 N THR A 405 -13.392 1.478 -1.845 1.00 0.00 N ATOM 778 CA THR A 405 -13.410 2.855 -2.335 1.00 0.00 C ATOM 779 C THR A 405 -12.384 3.714 -1.607 1.00 0.00 C ATOM 780 O THR A 405 -12.196 3.585 -0.400 1.00 0.00 O ATOM 781 CB THR A 405 -14.798 3.503 -2.163 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.134 3.577 -0.773 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.866 2.712 -2.906 1.00 0.00 C ATOM 0 H THR A 405 -13.192 1.385 -0.849 1.00 0.00 H new ATOM 0 HA THR A 405 -13.164 2.807 -3.396 1.00 0.00 H new ATOM 0 HB THR A 405 -14.758 4.508 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.108 3.534 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.835 3.191 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.624 2.682 -3.968 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.904 1.696 -2.514 1.00 0.00 H new ATOM 791 N LEU A 406 -11.725 4.595 -2.354 1.00 0.00 N ATOM 792 CA LEU A 406 -10.720 5.479 -1.787 1.00 0.00 C ATOM 793 C LEU A 406 -11.334 6.365 -0.717 1.00 0.00 C ATOM 794 O LEU A 406 -12.478 6.805 -0.838 1.00 0.00 O ATOM 795 CB LEU A 406 -10.075 6.321 -2.891 1.00 0.00 C ATOM 796 CG LEU A 406 -8.801 7.082 -2.503 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.137 8.390 -1.812 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.904 6.223 -1.622 1.00 0.00 C ATOM 0 H LEU A 406 -11.872 4.713 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.943 4.874 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.841 5.665 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.811 7.043 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.258 7.314 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.216 8.909 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.726 9.015 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.711 8.187 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.007 6.784 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.440 5.950 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.622 5.319 -2.162 1.00 0.00 H new ATOM 810 N ASP A 407 -10.571 6.612 0.336 1.00 0.00 N ATOM 811 CA ASP A 407 -11.042 7.437 1.443 1.00 0.00 C ATOM 812 C ASP A 407 -10.059 8.564 1.737 1.00 0.00 C ATOM 813 O ASP A 407 -8.850 8.347 1.807 1.00 0.00 O ATOM 814 CB ASP A 407 -11.247 6.581 2.695 1.00 0.00 C ATOM 815 CG ASP A 407 -11.820 7.378 3.850 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.909 7.966 3.682 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.182 7.412 4.922 1.00 0.00 O ATOM 0 H ASP A 407 -9.623 6.254 0.450 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.996 7.878 1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.916 5.753 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.294 6.146 2.995 1.00 0.00 H new ATOM 822 N LYS A 408 -10.592 9.768 1.906 1.00 0.00 N ATOM 823 CA LYS A 408 -9.772 10.939 2.191 1.00 0.00 C ATOM 824 C LYS A 408 -9.105 10.828 3.559 1.00 0.00 C ATOM 825 O LYS A 408 -7.931 11.162 3.714 1.00 0.00 O ATOM 826 CB LYS A 408 -10.628 12.204 2.129 1.00 0.00 C ATOM 827 CG LYS A 408 -11.197 12.484 0.747 1.00 0.00 C ATOM 828 CD LYS A 408 -12.124 13.690 0.755 1.00 0.00 C ATOM 829 CE LYS A 408 -11.407 14.951 1.215 1.00 0.00 C ATOM 830 NZ LYS A 408 -10.241 15.274 0.347 1.00 0.00 N ATOM 0 H LYS A 408 -11.592 9.959 1.850 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.988 10.995 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.449 12.113 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.026 13.056 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.381 12.657 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.742 11.609 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.527 13.845 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.971 13.493 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.105 15.788 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.070 14.822 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -9.883 16.221 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.489 14.571 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.535 15.255 -0.650 1.00 0.00 H new ATOM 844 N GLU A 409 -9.864 10.362 4.547 1.00 0.00 N ATOM 845 CA GLU A 409 -9.354 10.211 5.902 1.00 0.00 C ATOM 846 C GLU A 409 -8.201 9.212 5.947 1.00 0.00 C ATOM 847 O GLU A 409 -7.173 9.462 6.575 1.00 0.00 O ATOM 848 CB GLU A 409 -10.481 9.757 6.829 1.00 0.00 C ATOM 849 CG GLU A 409 -10.060 9.620 8.280 1.00 0.00 C ATOM 850 CD GLU A 409 -9.691 10.948 8.918 1.00 0.00 C ATOM 851 OE1 GLU A 409 -9.807 11.989 8.237 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.290 10.947 10.101 1.00 0.00 O ATOM 0 H GLU A 409 -10.838 10.082 4.431 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.976 11.176 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.302 10.471 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.863 8.798 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.872 9.164 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.208 8.943 8.343 1.00 0.00 H new ATOM 859 N GLU A 410 -8.375 8.079 5.278 1.00 0.00 N ATOM 860 CA GLU A 410 -7.345 7.047 5.247 1.00 0.00 C ATOM 861 C GLU A 410 -6.124 7.517 4.463 1.00 0.00 C ATOM 862 O GLU A 410 -4.988 7.295 4.876 1.00 0.00 O ATOM 863 CB GLU A 410 -7.893 5.757 4.635 1.00 0.00 C ATOM 864 CG GLU A 410 -9.030 5.133 5.431 1.00 0.00 C ATOM 865 CD GLU A 410 -8.610 4.699 6.825 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.215 5.571 7.626 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.679 3.486 7.112 1.00 0.00 O ATOM 0 H GLU A 410 -9.218 7.851 4.750 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.041 6.849 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.242 5.966 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.082 5.034 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.847 5.850 5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.415 4.270 4.888 1.00 0.00 H new ATOM 874 N ALA A 411 -6.368 8.158 3.324 1.00 0.00 N ATOM 875 CA ALA A 411 -5.290 8.649 2.472 1.00 0.00 C ATOM 876 C ALA A 411 -4.403 9.658 3.196 1.00 0.00 C ATOM 877 O ALA A 411 -3.177 9.563 3.139 1.00 0.00 O ATOM 878 CB ALA A 411 -5.863 9.263 1.204 1.00 0.00 C ATOM 0 H ALA A 411 -7.305 8.350 2.969 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.664 7.796 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.050 9.626 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.433 8.510 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.518 10.094 1.466 1.00 0.00 H new ATOM 884 N LYS A 412 -5.017 10.627 3.869 1.00 0.00 N ATOM 885 CA LYS A 412 -4.258 11.643 4.590 1.00 0.00 C ATOM 886 C LYS A 412 -3.404 11.006 5.683 1.00 0.00 C ATOM 887 O LYS A 412 -2.254 11.396 5.890 1.00 0.00 O ATOM 888 CB LYS A 412 -5.193 12.698 5.189 1.00 0.00 C ATOM 889 CG LYS A 412 -6.220 12.131 6.156 1.00 0.00 C ATOM 890 CD LYS A 412 -7.141 13.214 6.701 1.00 0.00 C ATOM 891 CE LYS A 412 -6.385 14.227 7.546 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.716 13.587 8.714 1.00 0.00 N ATOM 0 H LYS A 412 -6.030 10.730 3.930 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.595 12.136 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.595 13.447 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.714 13.210 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.814 11.369 5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.708 11.639 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.631 13.725 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.927 12.755 7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.639 14.729 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.075 14.994 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.416 14.321 9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.380 12.938 9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.884 13.055 8.389 1.00 0.00 H new