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 396 HIS : no HD1:sc= 0.405 K(o=0.9,f=-3!) USER MOD Set 1.2: A 405 THR OG1 : rot 31:sc= 0.492 USER MOD Set 2.1: A 377 THR OG1 : rot -17:sc= 0.137 USER MOD Set 2.2: A 380 SER OG : rot -15:sc= 0.785 USER MOD Single : A 382 ASN :FLIP amide:sc= -2.24 F(o=-6.4!,f=-2.2) USER MOD Single : A 383 LYS NZ :NH3+ 159:sc= -0.104 (180deg=-0.472) USER MOD Single : A 384 LYS NZ :NH3+ 174:sc= 0.143 (180deg=0.135) USER MOD Single : A 386 GLN : amide:sc= -2.1! 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+ 174:sc= 0.782 (180deg=0.709) 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= 0.274 K(o=0.27,f=-2.9!) USER MOD Single : A 401 ASN : amide:sc= -0.604 K(o=-0.6,f=-1.9!) USER MOD Single : A 402 LYS NZ :NH3+ 169:sc= -0.0106 (180deg=-0.145) USER MOD Single : A 403 LYS NZ :NH3+ 133:sc= -3.58! (180deg=-6.23!) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 142:sc= -3.2! (180deg=-5.74!) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.138 5.252 -3.424 1.00 0.00 N ATOM 340 CA GLU A 376 -3.841 5.102 -4.691 1.00 0.00 C ATOM 341 C GLU A 376 -4.826 6.249 -4.893 1.00 0.00 C ATOM 342 O GLU A 376 -4.613 7.357 -4.399 1.00 0.00 O ATOM 343 CB GLU A 376 -4.571 3.754 -4.715 1.00 0.00 C ATOM 344 CG GLU A 376 -3.670 2.567 -4.408 1.00 0.00 C ATOM 345 CD GLU A 376 -2.597 2.352 -5.459 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.750 3.252 -5.640 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.603 1.280 -6.100 1.00 0.00 O ATOM 0 HA GLU A 376 -3.118 5.129 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.385 3.778 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.022 3.612 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.196 2.718 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.279 1.666 -4.328 1.00 0.00 H new ATOM 354 N THR A 377 -5.904 5.980 -5.616 1.00 0.00 N ATOM 355 CA THR A 377 -6.921 6.985 -5.883 1.00 0.00 C ATOM 356 C THR A 377 -8.290 6.336 -5.969 1.00 0.00 C ATOM 357 O THR A 377 -8.408 5.170 -6.338 1.00 0.00 O ATOM 358 CB THR A 377 -6.638 7.748 -7.191 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.645 6.840 -8.300 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.295 8.459 -7.121 1.00 0.00 C ATOM 0 H THR A 377 -6.097 5.068 -6.030 1.00 0.00 H new ATOM 0 HA THR A 377 -6.899 7.697 -5.058 1.00 0.00 H new ATOM 0 HB THR A 377 -7.421 8.494 -7.328 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.558 5.921 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.116 8.991 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.302 9.169 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.503 7.727 -6.963 1.00 0.00 H new ATOM 368 N GLU A 378 -9.318 7.091 -5.607 1.00 0.00 N ATOM 369 CA GLU A 378 -10.682 6.582 -5.624 1.00 0.00 C ATOM 370 C GLU A 378 -10.967 5.834 -6.919 1.00 0.00 C ATOM 371 O GLU A 378 -11.598 4.781 -6.913 1.00 0.00 O ATOM 372 CB GLU A 378 -11.677 7.730 -5.451 1.00 0.00 C ATOM 373 CG GLU A 378 -13.126 7.278 -5.361 1.00 0.00 C ATOM 374 CD GLU A 378 -14.091 8.434 -5.179 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.629 9.594 -5.130 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.310 8.180 -5.084 1.00 0.00 O ATOM 0 H GLU A 378 -9.233 8.059 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.795 5.885 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.423 8.286 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.572 8.419 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.388 6.731 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.235 6.585 -4.527 1.00 0.00 H new ATOM 383 N GLY A 379 -10.498 6.389 -8.024 1.00 0.00 N ATOM 384 CA GLY A 379 -10.715 5.767 -9.313 1.00 0.00 C ATOM 385 C GLY A 379 -10.065 4.404 -9.444 1.00 0.00 C ATOM 386 O GLY A 379 -10.644 3.495 -10.039 1.00 0.00 O ATOM 0 H GLY A 379 -9.970 7.261 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.787 5.667 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.328 6.422 -10.093 1.00 0.00 H new ATOM 390 N SER A 380 -8.859 4.259 -8.911 1.00 0.00 N ATOM 391 CA SER A 380 -8.144 2.991 -9.005 1.00 0.00 C ATOM 392 C SER A 380 -8.650 1.965 -7.991 1.00 0.00 C ATOM 393 O SER A 380 -8.802 0.781 -8.312 1.00 0.00 O ATOM 394 CB SER A 380 -6.645 3.219 -8.806 1.00 0.00 C ATOM 395 OG SER A 380 -6.381 3.792 -7.537 1.00 0.00 O ATOM 0 H SER A 380 -8.358 4.995 -8.413 1.00 0.00 H new ATOM 0 HA SER A 380 -8.329 2.588 -10.001 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.114 2.271 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.266 3.874 -9.590 1.00 0.00 H new ATOM 0 HG SER A 380 -7.213 4.146 -7.159 1.00 0.00 H new ATOM 401 N CYS A 381 -8.877 2.406 -6.761 1.00 0.00 N ATOM 402 CA CYS A 381 -9.317 1.502 -5.710 1.00 0.00 C ATOM 403 C CYS A 381 -10.695 0.910 -5.980 1.00 0.00 C ATOM 404 O CYS A 381 -10.929 -0.263 -5.687 1.00 0.00 O ATOM 405 CB CYS A 381 -9.301 2.177 -4.350 1.00 0.00 C ATOM 406 SG CYS A 381 -8.848 1.015 -3.026 1.00 0.00 S ATOM 0 H CYS A 381 -8.765 3.377 -6.469 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.600 0.681 -5.705 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -8.594 3.006 -4.364 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.284 2.600 -4.142 1.00 0.00 H new ATOM 411 N ASN A 382 -11.604 1.703 -6.538 1.00 0.00 N ATOM 412 CA ASN A 382 -12.942 1.203 -6.836 1.00 0.00 C ATOM 413 C ASN A 382 -12.830 -0.071 -7.651 1.00 0.00 C ATOM 414 O ASN A 382 -13.679 -0.960 -7.573 1.00 0.00 O ATOM 415 CB ASN A 382 -13.764 2.243 -7.600 1.00 0.00 C ATOM 416 CG ASN A 382 -14.021 3.498 -6.791 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.509 3.535 -5.565 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.674 4.428 -7.263 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.444 2.678 -6.790 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.454 0.997 -5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.241 2.509 -8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.717 1.803 -7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.049 4.359 -8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.840 5.268 -6.708 1.00 0.00 H new ATOM 425 N LYS A 383 -11.758 -0.148 -8.427 1.00 0.00 N ATOM 426 CA LYS A 383 -11.493 -1.305 -9.259 1.00 0.00 C ATOM 427 C LYS A 383 -10.846 -2.426 -8.452 1.00 0.00 C ATOM 428 O LYS A 383 -11.072 -3.604 -8.731 1.00 0.00 O ATOM 429 CB LYS A 383 -10.591 -0.912 -10.430 1.00 0.00 C ATOM 430 CG LYS A 383 -11.122 0.264 -11.237 1.00 0.00 C ATOM 431 CD LYS A 383 -12.525 -0.003 -11.759 1.00 0.00 C ATOM 432 CE LYS A 383 -12.957 1.049 -12.768 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.076 1.058 -13.968 1.00 0.00 N ATOM 0 H LYS A 383 -11.054 0.587 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.444 -1.671 -9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.601 -0.663 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.471 -1.771 -11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.129 1.159 -10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.453 0.463 -12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.560 -0.989 -12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -13.227 -0.018 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.986 0.859 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.941 2.032 -12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.576 1.505 -14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -11.210 1.594 -13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.825 0.081 -14.222 1.00 0.00 H new ATOM 447 N LYS A 384 -10.025 -2.061 -7.461 1.00 0.00 N ATOM 448 CA LYS A 384 -9.342 -3.037 -6.646 1.00 0.00 C ATOM 449 C LYS A 384 -10.279 -4.064 -6.055 1.00 0.00 C ATOM 450 O LYS A 384 -11.443 -3.792 -5.760 1.00 0.00 O ATOM 451 CB LYS A 384 -8.580 -2.343 -5.534 1.00 0.00 C ATOM 452 CG LYS A 384 -7.557 -1.365 -6.056 1.00 0.00 C ATOM 453 CD LYS A 384 -6.587 -2.029 -7.013 1.00 0.00 C ATOM 454 CE LYS A 384 -7.006 -1.835 -8.463 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.957 -2.297 -9.414 1.00 0.00 N ATOM 0 H LYS A 384 -9.826 -1.092 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.651 -3.568 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.284 -1.817 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.081 -3.091 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.064 -0.543 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.006 -0.933 -5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.589 -1.617 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.528 -3.094 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.930 -2.382 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.218 -0.781 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.321 -2.242 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.116 -1.691 -9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.700 -3.281 -9.196 1.00 0.00 H new ATOM 469 N ASP A 385 -9.724 -5.238 -5.871 1.00 0.00 N ATOM 470 CA ASP A 385 -10.443 -6.361 -5.289 1.00 0.00 C ATOM 471 C ASP A 385 -10.336 -6.300 -3.772 1.00 0.00 C ATOM 472 O ASP A 385 -9.666 -5.422 -3.236 1.00 0.00 O ATOM 473 CB ASP A 385 -9.877 -7.687 -5.804 1.00 0.00 C ATOM 474 CG ASP A 385 -9.978 -7.815 -7.313 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.493 -6.876 -7.957 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.541 -8.854 -7.851 1.00 0.00 O ATOM 0 H ASP A 385 -8.757 -5.449 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.491 -6.300 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.833 -7.773 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.412 -8.513 -5.336 1.00 0.00 H new ATOM 481 N GLN A 386 -10.988 -7.231 -3.086 1.00 0.00 N ATOM 482 CA GLN A 386 -10.947 -7.263 -1.626 1.00 0.00 C ATOM 483 C GLN A 386 -9.507 -7.155 -1.133 1.00 0.00 C ATOM 484 O GLN A 386 -9.184 -6.293 -0.316 1.00 0.00 O ATOM 485 CB GLN A 386 -11.599 -8.554 -1.113 1.00 0.00 C ATOM 486 CG GLN A 386 -11.685 -8.655 0.404 1.00 0.00 C ATOM 487 CD GLN A 386 -10.339 -8.898 1.060 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.682 -9.905 0.800 1.00 0.00 O ATOM 489 NE2 GLN A 386 -9.922 -7.972 1.915 1.00 0.00 N ATOM 0 H GLN A 386 -11.548 -7.970 -3.512 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.505 -6.411 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.604 -8.629 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.035 -9.407 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -12.115 -7.735 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.364 -9.465 0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.500 -7.152 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -9.024 -8.080 2.386 1.00 0.00 H new ATOM 498 N ASN A 387 -8.645 -8.022 -1.648 1.00 0.00 N ATOM 499 CA ASN A 387 -7.241 -8.017 -1.273 1.00 0.00 C ATOM 500 C ASN A 387 -6.546 -6.758 -1.784 1.00 0.00 C ATOM 501 O ASN A 387 -5.637 -6.234 -1.139 1.00 0.00 O ATOM 502 CB ASN A 387 -6.553 -9.263 -1.826 1.00 0.00 C ATOM 503 CG ASN A 387 -5.072 -9.283 -1.531 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.656 -9.273 -0.372 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.267 -9.311 -2.582 1.00 0.00 N ATOM 0 H ASN A 387 -8.897 -8.739 -2.329 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.172 -8.023 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.018 -10.151 -1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.706 -9.311 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.256 -9.325 -2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.658 -9.318 -3.524 1.00 0.00 H new ATOM 512 N GLU A 388 -6.978 -6.279 -2.947 1.00 0.00 N ATOM 513 CA GLU A 388 -6.397 -5.082 -3.545 1.00 0.00 C ATOM 514 C GLU A 388 -6.855 -3.823 -2.819 1.00 0.00 C ATOM 515 O GLU A 388 -6.235 -2.768 -2.953 1.00 0.00 O ATOM 516 CB GLU A 388 -6.746 -5.005 -5.030 1.00 0.00 C ATOM 517 CG GLU A 388 -6.181 -6.156 -5.847 1.00 0.00 C ATOM 518 CD GLU A 388 -6.513 -6.043 -7.322 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.125 -5.031 -7.943 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.158 -6.969 -7.858 1.00 0.00 O ATOM 0 H GLU A 388 -7.728 -6.702 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.314 -5.148 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.830 -4.990 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.372 -4.065 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.098 -6.187 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.573 -7.097 -5.461 1.00 0.00 H new ATOM 527 N CYS A 389 -7.927 -3.941 -2.034 1.00 0.00 N ATOM 528 CA CYS A 389 -8.435 -2.806 -1.273 1.00 0.00 C ATOM 529 C CYS A 389 -7.298 -2.255 -0.429 1.00 0.00 C ATOM 530 O CYS A 389 -6.953 -2.809 0.616 1.00 0.00 O ATOM 531 CB CYS A 389 -9.609 -3.246 -0.393 1.00 0.00 C ATOM 532 SG CYS A 389 -10.612 -1.870 0.251 1.00 0.00 S ATOM 0 H CYS A 389 -8.455 -4.805 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.800 -2.029 -1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.252 -3.911 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.223 -3.824 0.447 1.00 0.00 H new ATOM 537 N LYS A 390 -6.682 -1.190 -0.926 1.00 0.00 N ATOM 538 CA LYS A 390 -5.532 -0.591 -0.254 1.00 0.00 C ATOM 539 C LYS A 390 -5.905 0.090 1.056 1.00 0.00 C ATOM 540 O LYS A 390 -7.066 0.412 1.304 1.00 0.00 O ATOM 541 CB LYS A 390 -4.833 0.388 -1.190 1.00 0.00 C ATOM 542 CG LYS A 390 -4.207 -0.277 -2.414 1.00 0.00 C ATOM 543 CD LYS A 390 -2.835 -0.873 -2.112 1.00 0.00 C ATOM 544 CE LYS A 390 -2.921 -2.114 -1.233 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.730 -3.192 -1.868 1.00 0.00 N ATOM 0 H LYS A 390 -6.957 -0.723 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.848 -1.401 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.552 1.137 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -4.056 0.915 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.870 -1.063 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.114 0.456 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.339 -1.128 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.217 -0.123 -1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.916 -2.486 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.362 -1.848 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -3.680 -4.052 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -4.720 -2.883 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.356 -3.394 -2.817 1.00 0.00 H new ATOM 559 N SER A 391 -4.895 0.282 1.900 1.00 0.00 N ATOM 560 CA SER A 391 -5.081 0.902 3.210 1.00 0.00 C ATOM 561 C SER A 391 -5.695 2.297 3.093 1.00 0.00 C ATOM 562 O SER A 391 -6.717 2.573 3.721 1.00 0.00 O ATOM 563 CB SER A 391 -3.751 0.969 3.966 1.00 0.00 C ATOM 564 OG SER A 391 -3.916 1.571 5.238 1.00 0.00 O ATOM 0 H SER A 391 -3.932 0.015 1.698 1.00 0.00 H new ATOM 0 HA SER A 391 -5.777 0.279 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.346 -0.036 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.026 1.537 3.383 1.00 0.00 H new ATOM 0 HG SER A 391 -3.053 1.600 5.701 1.00 0.00 H new ATOM 570 N PRO A 392 -5.100 3.202 2.282 1.00 0.00 N ATOM 571 CA PRO A 392 -5.628 4.551 2.104 1.00 0.00 C ATOM 572 C PRO A 392 -7.104 4.521 1.741 1.00 0.00 C ATOM 573 O PRO A 392 -7.844 5.472 1.991 1.00 0.00 O ATOM 574 CB PRO A 392 -4.796 5.124 0.945 1.00 0.00 C ATOM 575 CG PRO A 392 -4.053 3.976 0.364 1.00 0.00 C ATOM 576 CD PRO A 392 -3.891 2.994 1.474 1.00 0.00 C ATOM 0 HA PRO A 392 -5.557 5.148 3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.438 5.591 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.110 5.893 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.601 3.537 -0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.084 4.292 -0.023 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.826 1.972 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.984 3.182 2.049 1.00 0.00 H new ATOM 584 N CYS A 393 -7.516 3.409 1.144 1.00 0.00 N ATOM 585 CA CYS A 393 -8.896 3.214 0.729 1.00 0.00 C ATOM 586 C CYS A 393 -9.815 3.006 1.924 1.00 0.00 C ATOM 587 O CYS A 393 -9.537 3.467 3.031 1.00 0.00 O ATOM 588 CB CYS A 393 -8.973 2.012 -0.212 1.00 0.00 C ATOM 589 SG CYS A 393 -7.898 2.152 -1.668 1.00 0.00 S ATOM 0 H CYS A 393 -6.903 2.621 0.935 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.232 4.112 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.705 1.112 0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.004 1.887 -0.544 1.00 0.00 H new ATOM 594 N LYS A 394 -10.911 2.300 1.684 1.00 0.00 N ATOM 595 CA LYS A 394 -11.885 2.011 2.723 1.00 0.00 C ATOM 596 C LYS A 394 -12.774 0.856 2.291 1.00 0.00 C ATOM 597 O LYS A 394 -13.526 0.964 1.321 1.00 0.00 O ATOM 598 CB LYS A 394 -12.734 3.251 3.014 1.00 0.00 C ATOM 599 CG LYS A 394 -13.509 3.168 4.320 1.00 0.00 C ATOM 600 CD LYS A 394 -12.574 3.153 5.522 1.00 0.00 C ATOM 601 CE LYS A 394 -11.770 4.441 5.623 1.00 0.00 C ATOM 602 NZ LYS A 394 -10.828 4.422 6.776 1.00 0.00 N ATOM 0 H LYS A 394 -11.148 1.915 0.770 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.357 1.730 3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.085 4.126 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.436 3.400 2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.188 4.017 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.123 2.267 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.155 3.014 6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -11.894 2.304 5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.210 4.592 4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.451 5.286 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -10.300 5.318 6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -11.363 4.304 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.161 3.631 6.667 1.00 0.00 H new ATOM 616 N TRP A 395 -12.669 -0.256 3.004 1.00 0.00 N ATOM 617 CA TRP A 395 -13.446 -1.442 2.685 1.00 0.00 C ATOM 618 C TRP A 395 -14.893 -1.297 3.141 1.00 0.00 C ATOM 619 O TRP A 395 -15.162 -0.862 4.261 1.00 0.00 O ATOM 620 CB TRP A 395 -12.814 -2.675 3.331 1.00 0.00 C ATOM 621 CG TRP A 395 -13.452 -3.965 2.915 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.967 -4.926 3.737 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.633 -4.442 1.576 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.463 -5.968 2.993 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.269 -5.696 1.664 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.322 -3.932 0.310 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.598 -6.444 0.537 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.650 -4.676 -0.806 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.283 -5.921 -0.687 1.00 0.00 C ATOM 0 H TRP A 395 -12.051 -0.360 3.809 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.444 -1.562 1.602 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.755 -2.705 3.077 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.879 -2.580 4.415 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.982 -4.874 4.816 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.904 -6.808 3.368 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.834 -2.974 0.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.085 -7.404 0.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.415 -4.292 -1.788 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.527 -6.478 -1.579 1.00 0.00 H new ATOM 640 N HIS A 396 -15.824 -1.678 2.270 1.00 0.00 N ATOM 641 CA HIS A 396 -17.244 -1.603 2.588 1.00 0.00 C ATOM 642 C HIS A 396 -17.880 -2.988 2.528 1.00 0.00 C ATOM 643 O HIS A 396 -17.966 -3.598 1.460 1.00 0.00 O ATOM 644 CB HIS A 396 -17.959 -0.656 1.623 1.00 0.00 C ATOM 645 CG HIS A 396 -17.439 0.746 1.668 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.417 1.506 2.819 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.918 1.529 0.692 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.907 2.695 2.550 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.597 2.734 1.268 1.00 0.00 N ATOM 0 H HIS A 396 -15.619 -2.041 1.339 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.347 -1.215 3.601 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.858 -1.040 0.608 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.024 -0.648 1.856 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.781 1.257 -0.344 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.768 3.498 3.259 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.185 3.531 0.783 1.00 0.00 H new ATOM 658 N ASN A 397 -18.317 -3.475 3.685 1.00 0.00 N ATOM 659 CA ASN A 397 -18.942 -4.789 3.782 1.00 0.00 C ATOM 660 C ASN A 397 -20.430 -4.718 3.461 1.00 0.00 C ATOM 661 O ASN A 397 -21.088 -3.715 3.735 1.00 0.00 O ATOM 662 CB ASN A 397 -18.739 -5.374 5.181 1.00 0.00 C ATOM 663 CG ASN A 397 -19.422 -4.553 6.258 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.121 -3.374 6.442 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.347 -5.178 6.979 1.00 0.00 N ATOM 0 H ASN A 397 -18.249 -2.976 4.572 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.464 -5.439 3.049 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.126 -6.393 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.672 -5.433 5.395 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.840 -4.679 7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.564 -6.157 6.792 1.00 0.00 H new ATOM 672 N ASP A 398 -20.951 -5.795 2.878 1.00 0.00 N ATOM 673 CA ASP A 398 -22.362 -5.873 2.515 1.00 0.00 C ATOM 674 C ASP A 398 -22.733 -4.761 1.535 1.00 0.00 C ATOM 675 O ASP A 398 -23.845 -4.234 1.563 1.00 0.00 O ATOM 676 CB ASP A 398 -23.237 -5.791 3.771 1.00 0.00 C ATOM 677 CG ASP A 398 -24.698 -6.096 3.494 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.030 -6.419 2.334 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.510 -6.016 4.441 1.00 0.00 O ATOM 0 H ASP A 398 -20.413 -6.630 2.646 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.538 -6.831 2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.860 -6.491 4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.155 -4.793 4.201 1.00 0.00 H new ATOM 684 N ALA A 399 -21.793 -4.418 0.661 1.00 0.00 N ATOM 685 CA ALA A 399 -22.015 -3.382 -0.339 1.00 0.00 C ATOM 686 C ALA A 399 -22.666 -3.972 -1.583 1.00 0.00 C ATOM 687 O ALA A 399 -22.242 -3.699 -2.707 1.00 0.00 O ATOM 688 CB ALA A 399 -20.705 -2.711 -0.698 1.00 0.00 C ATOM 0 H ALA A 399 -20.867 -4.845 0.626 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.688 -2.634 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.885 -1.939 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.272 -2.258 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.015 -3.452 -1.100 1.00 0.00 H new ATOM 694 N GLU A 400 -23.680 -4.803 -1.359 1.00 0.00 N ATOM 695 CA GLU A 400 -24.403 -5.480 -2.435 1.00 0.00 C ATOM 696 C GLU A 400 -23.572 -6.634 -2.982 1.00 0.00 C ATOM 697 O GLU A 400 -24.111 -7.614 -3.499 1.00 0.00 O ATOM 698 CB GLU A 400 -24.768 -4.505 -3.561 1.00 0.00 C ATOM 699 CG GLU A 400 -25.648 -3.352 -3.106 1.00 0.00 C ATOM 700 CD GLU A 400 -25.986 -2.394 -4.233 1.00 0.00 C ATOM 701 OE1 GLU A 400 -25.049 -1.804 -4.811 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.187 -2.236 -4.537 1.00 0.00 O ATOM 0 H GLU A 400 -24.025 -5.027 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.331 -5.875 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.852 -4.103 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.281 -5.052 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.571 -3.749 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.142 -2.806 -2.310 1.00 0.00 H new ATOM 709 N ASN A 401 -22.254 -6.507 -2.857 1.00 0.00 N ATOM 710 CA ASN A 401 -21.328 -7.526 -3.324 1.00 0.00 C ATOM 711 C ASN A 401 -19.901 -7.146 -2.947 1.00 0.00 C ATOM 712 O ASN A 401 -18.947 -7.494 -3.642 1.00 0.00 O ATOM 713 CB ASN A 401 -21.452 -7.679 -4.839 1.00 0.00 C ATOM 714 CG ASN A 401 -21.046 -6.422 -5.583 1.00 0.00 C ATOM 715 OD1 ASN A 401 -19.868 -6.071 -5.642 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.029 -5.724 -6.136 1.00 0.00 N ATOM 0 H ASN A 401 -21.803 -5.698 -2.431 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.572 -8.477 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.829 -8.510 -5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.482 -7.931 -5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.822 -4.859 -6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.992 -6.053 -6.062 1.00 0.00 H new ATOM 723 N LYS A 402 -19.777 -6.421 -1.836 1.00 0.00 N ATOM 724 CA LYS A 402 -18.481 -5.965 -1.338 1.00 0.00 C ATOM 725 C LYS A 402 -17.855 -4.970 -2.311 1.00 0.00 C ATOM 726 O LYS A 402 -17.687 -5.270 -3.493 1.00 0.00 O ATOM 727 CB LYS A 402 -17.540 -7.156 -1.123 1.00 0.00 C ATOM 728 CG LYS A 402 -18.122 -8.240 -0.228 1.00 0.00 C ATOM 729 CD LYS A 402 -18.432 -7.714 1.166 1.00 0.00 C ATOM 730 CE LYS A 402 -19.071 -8.783 2.036 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.178 -9.960 2.222 1.00 0.00 N ATOM 0 H LYS A 402 -20.568 -6.135 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.638 -5.466 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.291 -7.591 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.608 -6.797 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.033 -8.634 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.418 -9.069 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.513 -7.362 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.101 -6.856 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.318 -8.358 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -20.008 -9.107 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.567 -10.577 2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.112 -10.490 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.231 -9.636 2.503 1.00 0.00 H new ATOM 745 N LYS A 403 -17.523 -3.776 -1.816 1.00 0.00 N ATOM 746 CA LYS A 403 -16.936 -2.742 -2.665 1.00 0.00 C ATOM 747 C LYS A 403 -15.875 -1.929 -1.926 1.00 0.00 C ATOM 748 O LYS A 403 -16.062 -1.550 -0.770 1.00 0.00 O ATOM 749 CB LYS A 403 -18.030 -1.803 -3.174 1.00 0.00 C ATOM 750 CG LYS A 403 -19.112 -2.503 -3.979 1.00 0.00 C ATOM 751 CD LYS A 403 -18.579 -3.060 -5.295 1.00 0.00 C ATOM 752 CE LYS A 403 -18.137 -1.956 -6.248 1.00 0.00 C ATOM 753 NZ LYS A 403 -16.902 -1.266 -5.781 1.00 0.00 N ATOM 0 H LYS A 403 -17.650 -3.504 -0.841 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.452 -3.244 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.490 -1.301 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.574 -1.029 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.535 -3.315 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.921 -1.802 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.737 -3.723 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.352 -3.663 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.961 -2.381 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.940 -1.227 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -16.232 -1.181 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -17.146 -0.318 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -16.465 -1.817 -5.015 1.00 0.00 H new ATOM 767 N CYS A 404 -14.769 -1.650 -2.615 1.00 0.00 N ATOM 768 CA CYS A 404 -13.681 -0.864 -2.040 1.00 0.00 C ATOM 769 C CYS A 404 -13.627 0.520 -2.677 1.00 0.00 C ATOM 770 O CYS A 404 -13.812 0.662 -3.885 1.00 0.00 O ATOM 771 CB CYS A 404 -12.333 -1.560 -2.242 1.00 0.00 C ATOM 772 SG CYS A 404 -10.949 -0.730 -1.394 1.00 0.00 S ATOM 0 H CYS A 404 -14.604 -1.958 -3.573 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.875 -0.768 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.406 -2.586 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.116 -1.611 -3.309 1.00 0.00 H new ATOM 777 N THR A 405 -13.360 1.535 -1.863 1.00 0.00 N ATOM 778 CA THR A 405 -13.267 2.905 -2.354 1.00 0.00 C ATOM 779 C THR A 405 -12.208 3.686 -1.585 1.00 0.00 C ATOM 780 O THR A 405 -12.150 3.626 -0.357 1.00 0.00 O ATOM 781 CB THR A 405 -14.615 3.642 -2.242 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.025 3.710 -0.871 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.687 2.941 -3.062 1.00 0.00 C ATOM 0 H THR A 405 -13.204 1.435 -0.860 1.00 0.00 H new ATOM 0 HA THR A 405 -12.986 2.846 -3.406 1.00 0.00 H new ATOM 0 HB THR A 405 -14.484 4.651 -2.632 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.234 3.751 -0.295 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.629 3.481 -2.966 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.387 2.918 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.814 1.921 -2.699 1.00 0.00 H new ATOM 791 N LEU A 406 -11.368 4.412 -2.317 1.00 0.00 N ATOM 792 CA LEU A 406 -10.306 5.200 -1.712 1.00 0.00 C ATOM 793 C LEU A 406 -10.881 6.193 -0.712 1.00 0.00 C ATOM 794 O LEU A 406 -11.962 6.747 -0.921 1.00 0.00 O ATOM 795 CB LEU A 406 -9.504 5.921 -2.795 1.00 0.00 C ATOM 796 CG LEU A 406 -8.176 6.542 -2.351 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.402 7.843 -1.604 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.387 5.560 -1.501 1.00 0.00 C ATOM 0 H LEU A 406 -11.405 4.469 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.635 4.530 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.300 5.213 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.128 6.710 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.594 6.769 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.442 8.260 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.917 8.551 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.010 7.654 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.447 6.018 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.967 5.296 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.180 4.661 -2.081 1.00 0.00 H new ATOM 810 N ASP A 407 -10.159 6.405 0.378 1.00 0.00 N ATOM 811 CA ASP A 407 -10.603 7.323 1.419 1.00 0.00 C ATOM 812 C ASP A 407 -9.651 8.507 1.551 1.00 0.00 C ATOM 813 O ASP A 407 -8.435 8.334 1.634 1.00 0.00 O ATOM 814 CB ASP A 407 -10.719 6.590 2.757 1.00 0.00 C ATOM 815 CG ASP A 407 -11.346 7.448 3.838 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.481 7.928 3.633 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.706 7.636 4.893 1.00 0.00 O ATOM 0 H ASP A 407 -9.263 5.955 0.566 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.584 7.705 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.316 5.688 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.728 6.272 3.080 1.00 0.00 H new ATOM 822 N LYS A 408 -10.217 9.709 1.570 1.00 0.00 N ATOM 823 CA LYS A 408 -9.428 10.930 1.693 1.00 0.00 C ATOM 824 C LYS A 408 -8.803 11.041 3.080 1.00 0.00 C ATOM 825 O LYS A 408 -7.648 11.440 3.222 1.00 0.00 O ATOM 826 CB LYS A 408 -10.307 12.153 1.419 1.00 0.00 C ATOM 827 CG LYS A 408 -10.963 12.140 0.045 1.00 0.00 C ATOM 828 CD LYS A 408 -9.933 12.207 -1.075 1.00 0.00 C ATOM 829 CE LYS A 408 -9.178 13.528 -1.063 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.205 13.620 -2.187 1.00 0.00 N ATOM 0 H LYS A 408 -11.223 9.864 1.502 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.625 10.890 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.083 12.210 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.701 13.054 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.560 11.235 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.647 12.985 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.227 11.383 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.431 12.081 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.888 14.353 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -8.650 13.636 -0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -7.711 14.534 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -7.512 12.848 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.712 13.542 -3.092 1.00 0.00 H new ATOM 844 N GLU A 409 -9.583 10.694 4.100 1.00 0.00 N ATOM 845 CA GLU A 409 -9.124 10.760 5.482 1.00 0.00 C ATOM 846 C GLU A 409 -7.940 9.824 5.726 1.00 0.00 C ATOM 847 O GLU A 409 -6.945 10.213 6.338 1.00 0.00 O ATOM 848 CB GLU A 409 -10.273 10.405 6.426 1.00 0.00 C ATOM 849 CG GLU A 409 -9.900 10.478 7.895 1.00 0.00 C ATOM 850 CD GLU A 409 -11.056 10.126 8.811 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.090 10.824 8.756 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.927 9.151 9.581 1.00 0.00 O ATOM 0 H GLU A 409 -10.542 10.362 3.993 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.790 11.779 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.108 11.080 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.621 9.397 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.069 9.800 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.551 11.484 8.127 1.00 0.00 H new ATOM 859 N GLU A 410 -8.054 8.589 5.254 1.00 0.00 N ATOM 860 CA GLU A 410 -6.991 7.608 5.436 1.00 0.00 C ATOM 861 C GLU A 410 -5.768 7.959 4.596 1.00 0.00 C ATOM 862 O GLU A 410 -4.643 7.929 5.090 1.00 0.00 O ATOM 863 CB GLU A 410 -7.489 6.207 5.080 1.00 0.00 C ATOM 864 CG GLU A 410 -6.469 5.114 5.355 1.00 0.00 C ATOM 865 CD GLU A 410 -6.056 5.055 6.813 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.939 4.852 7.672 1.00 0.00 O ATOM 867 OE2 GLU A 410 -4.849 5.209 7.094 1.00 0.00 O ATOM 0 H GLU A 410 -8.867 8.244 4.745 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.699 7.623 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.396 5.997 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.760 6.183 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.886 4.151 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.586 5.282 4.738 1.00 0.00 H new ATOM 874 N ALA A 411 -5.991 8.285 3.325 1.00 0.00 N ATOM 875 CA ALA A 411 -4.896 8.634 2.423 1.00 0.00 C ATOM 876 C ALA A 411 -4.047 9.776 2.977 1.00 0.00 C ATOM 877 O ALA A 411 -2.819 9.699 2.968 1.00 0.00 O ATOM 878 CB ALA A 411 -5.438 8.995 1.049 1.00 0.00 C ATOM 0 H ALA A 411 -6.917 8.315 2.897 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.252 7.759 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.611 9.253 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.980 8.144 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.112 9.847 1.136 1.00 0.00 H new ATOM 884 N LYS A 412 -4.699 10.834 3.454 1.00 0.00 N ATOM 885 CA LYS A 412 -3.978 11.979 4.001 1.00 0.00 C ATOM 886 C LYS A 412 -3.153 11.573 5.219 1.00 0.00 C ATOM 887 O LYS A 412 -2.009 12.001 5.373 1.00 0.00 O ATOM 888 CB LYS A 412 -4.942 13.114 4.361 1.00 0.00 C ATOM 889 CG LYS A 412 -5.954 12.754 5.438 1.00 0.00 C ATOM 890 CD LYS A 412 -6.899 13.911 5.745 1.00 0.00 C ATOM 891 CE LYS A 412 -6.194 15.053 6.467 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.174 15.721 5.611 1.00 0.00 N ATOM 0 H LYS A 412 -5.715 10.922 3.473 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.297 12.341 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.363 13.975 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.478 13.420 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.533 11.889 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.428 12.465 6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.330 14.282 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.725 13.551 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.933 15.788 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.714 14.669 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.187 16.745 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.231 15.342 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.390 15.542 4.610 1.00 0.00 H new