USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 394 LYS NZ :NH3+ -168:sc= -0.161 (180deg=-0.0237) USER MOD Set 1.2: A 396 HIS : no HE2:sc= -1.18 K(o=-1.3,f=-7.6!) USER MOD Set 1.3: A 405 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -55:sc= 1.12 USER MOD Single : A 382 ASN :FLIP amide:sc= -2.7! C(o=-6.4!,f=-2.7!) USER MOD Single : A 383 LYS NZ :NH3+ -135:sc= -0.0422 (180deg=-0.367) USER MOD Single : A 384 LYS NZ :NH3+ -171:sc= 0.0119 (180deg=0.00712) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 387 ASN : amide:sc=-0.00353 X(o=-0.0035,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -167:sc= -0.0151 (180deg=-0.199) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 397 ASN : amide:sc= -0.425 K(o=-0.43,f=-2.1!) USER MOD Single : A 401 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.2) USER MOD Single : A 402 LYS NZ :NH3+ 169:sc= -0.0352 (180deg=-0.183) USER MOD Single : A 403 LYS NZ :NH3+ -166:sc= -0.0213 (180deg=-0.274) USER MOD Single : A 408 LYS NZ :NH3+ -164:sc= -0.0419 (180deg=-0.323) USER MOD Single : A 412 LYS NZ :NH3+ 167:sc= -0.0424 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.170 7.301 -4.488 1.00 0.00 N ATOM 340 CA GLU A 376 -3.926 6.656 -5.552 1.00 0.00 C ATOM 341 C GLU A 376 -5.146 7.483 -5.932 1.00 0.00 C ATOM 342 O GLU A 376 -5.142 8.708 -5.805 1.00 0.00 O ATOM 343 CB GLU A 376 -4.351 5.266 -5.086 1.00 0.00 C ATOM 344 CG GLU A 376 -3.219 4.491 -4.436 1.00 0.00 C ATOM 345 CD GLU A 376 -3.658 3.154 -3.879 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.840 2.790 -4.060 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.817 2.470 -3.260 1.00 0.00 O ATOM 0 HA GLU A 376 -3.295 6.571 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.174 5.361 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.729 4.702 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.429 4.331 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.791 5.090 -3.632 1.00 0.00 H new ATOM 354 N THR A 377 -6.189 6.809 -6.397 1.00 0.00 N ATOM 355 CA THR A 377 -7.415 7.481 -6.799 1.00 0.00 C ATOM 356 C THR A 377 -8.621 6.584 -6.590 1.00 0.00 C ATOM 357 O THR A 377 -8.528 5.365 -6.721 1.00 0.00 O ATOM 358 CB THR A 377 -7.367 7.914 -8.278 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.189 6.767 -9.118 1.00 0.00 O ATOM 360 CG2 THR A 377 -6.238 8.904 -8.521 1.00 0.00 C ATOM 0 H THR A 377 -6.209 5.795 -6.505 1.00 0.00 H new ATOM 0 HA THR A 377 -7.506 8.368 -6.173 1.00 0.00 H new ATOM 0 HB THR A 377 -8.312 8.401 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 377 -7.161 7.050 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 377 -6.227 9.193 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 377 -6.391 9.789 -7.903 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.286 8.441 -8.262 1.00 0.00 H new ATOM 368 N GLU A 378 -9.752 7.201 -6.262 1.00 0.00 N ATOM 369 CA GLU A 378 -10.986 6.463 -6.036 1.00 0.00 C ATOM 370 C GLU A 378 -11.210 5.475 -7.167 1.00 0.00 C ATOM 371 O GLU A 378 -11.730 4.378 -6.965 1.00 0.00 O ATOM 372 CB GLU A 378 -12.168 7.425 -5.945 1.00 0.00 C ATOM 373 CG GLU A 378 -13.485 6.746 -5.608 1.00 0.00 C ATOM 374 CD GLU A 378 -14.644 7.719 -5.532 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.422 8.928 -5.754 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.777 7.272 -5.250 1.00 0.00 O ATOM 0 H GLU A 378 -9.838 8.211 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.903 5.919 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.954 8.179 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.272 7.949 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.701 5.988 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.388 6.228 -4.654 1.00 0.00 H new ATOM 383 N GLY A 379 -10.805 5.885 -8.360 1.00 0.00 N ATOM 384 CA GLY A 379 -10.955 5.046 -9.528 1.00 0.00 C ATOM 385 C GLY A 379 -10.231 3.721 -9.404 1.00 0.00 C ATOM 386 O GLY A 379 -10.782 2.683 -9.757 1.00 0.00 O ATOM 0 H GLY A 379 -10.372 6.791 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.015 4.859 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.579 5.579 -10.401 1.00 0.00 H new ATOM 390 N SER A 380 -8.997 3.748 -8.909 1.00 0.00 N ATOM 391 CA SER A 380 -8.219 2.517 -8.762 1.00 0.00 C ATOM 392 C SER A 380 -8.813 1.604 -7.690 1.00 0.00 C ATOM 393 O SER A 380 -8.963 0.399 -7.899 1.00 0.00 O ATOM 394 CB SER A 380 -6.764 2.839 -8.422 1.00 0.00 C ATOM 395 OG SER A 380 -6.666 3.542 -7.196 1.00 0.00 O ATOM 0 H SER A 380 -8.517 4.595 -8.606 1.00 0.00 H new ATOM 0 HA SER A 380 -8.256 1.991 -9.716 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.189 1.915 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.325 3.435 -9.222 1.00 0.00 H new ATOM 0 HG SER A 380 -7.227 4.345 -7.233 1.00 0.00 H new ATOM 401 N CYS A 381 -9.141 2.184 -6.540 1.00 0.00 N ATOM 402 CA CYS A 381 -9.707 1.428 -5.428 1.00 0.00 C ATOM 403 C CYS A 381 -10.964 0.667 -5.840 1.00 0.00 C ATOM 404 O CYS A 381 -11.134 -0.500 -5.484 1.00 0.00 O ATOM 405 CB CYS A 381 -10.023 2.367 -4.267 1.00 0.00 C ATOM 406 SG CYS A 381 -8.561 3.205 -3.581 1.00 0.00 S ATOM 0 H CYS A 381 -9.024 3.180 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.964 0.695 -5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.736 3.119 -4.604 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.510 1.799 -3.474 1.00 0.00 H new ATOM 411 N ASN A 382 -11.843 1.330 -6.587 1.00 0.00 N ATOM 412 CA ASN A 382 -13.086 0.708 -7.039 1.00 0.00 C ATOM 413 C ASN A 382 -12.808 -0.620 -7.734 1.00 0.00 C ATOM 414 O ASN A 382 -13.558 -1.585 -7.581 1.00 0.00 O ATOM 415 CB ASN A 382 -13.838 1.647 -7.987 1.00 0.00 C ATOM 416 CG ASN A 382 -14.254 2.951 -7.326 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.950 3.100 -6.040 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.848 3.819 -7.968 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.719 2.295 -6.892 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.706 0.516 -6.163 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.206 1.868 -8.847 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.725 1.139 -8.365 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.063 3.667 -8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.125 4.690 -7.514 1.00 0.00 H new ATOM 425 N LYS A 383 -11.721 -0.658 -8.495 1.00 0.00 N ATOM 426 CA LYS A 383 -11.323 -1.859 -9.216 1.00 0.00 C ATOM 427 C LYS A 383 -10.856 -2.944 -8.253 1.00 0.00 C ATOM 428 O LYS A 383 -11.136 -4.128 -8.449 1.00 0.00 O ATOM 429 CB LYS A 383 -10.195 -1.521 -10.195 1.00 0.00 C ATOM 430 CG LYS A 383 -10.644 -0.792 -11.458 1.00 0.00 C ATOM 431 CD LYS A 383 -11.652 0.309 -11.171 1.00 0.00 C ATOM 432 CE LYS A 383 -12.018 1.073 -12.431 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.831 1.726 -13.050 1.00 0.00 N ATOM 0 H LYS A 383 -11.095 0.136 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.188 -2.234 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.457 -0.906 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.694 -2.445 -10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.774 -0.362 -11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -11.083 -1.510 -12.151 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.551 -0.125 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.239 0.998 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.473 0.391 -13.150 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.765 1.830 -12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.072 2.701 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.047 1.740 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.544 1.194 -13.896 1.00 0.00 H new ATOM 447 N LYS A 384 -10.117 -2.530 -7.228 1.00 0.00 N ATOM 448 CA LYS A 384 -9.574 -3.443 -6.250 1.00 0.00 C ATOM 449 C LYS A 384 -10.624 -4.295 -5.575 1.00 0.00 C ATOM 450 O LYS A 384 -11.760 -3.878 -5.350 1.00 0.00 O ATOM 451 CB LYS A 384 -8.803 -2.666 -5.199 1.00 0.00 C ATOM 452 CG LYS A 384 -7.765 -1.754 -5.803 1.00 0.00 C ATOM 453 CD LYS A 384 -6.744 -2.532 -6.609 1.00 0.00 C ATOM 454 CE LYS A 384 -7.123 -2.607 -8.081 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.053 -3.241 -8.899 1.00 0.00 N ATOM 0 H LYS A 384 -9.883 -1.552 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.915 -4.123 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.500 -2.075 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.317 -3.365 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.253 -1.020 -6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.260 -1.201 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.766 -2.060 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.654 -3.540 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -8.047 -3.175 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.320 -1.603 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.280 -3.137 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.143 -2.779 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.987 -4.251 -8.662 1.00 0.00 H new ATOM 469 N ASP A 385 -10.188 -5.485 -5.232 1.00 0.00 N ATOM 470 CA ASP A 385 -11.017 -6.458 -4.536 1.00 0.00 C ATOM 471 C ASP A 385 -10.796 -6.320 -3.035 1.00 0.00 C ATOM 472 O ASP A 385 -9.996 -5.495 -2.607 1.00 0.00 O ATOM 473 CB ASP A 385 -10.674 -7.878 -4.991 1.00 0.00 C ATOM 474 CG ASP A 385 -10.875 -8.078 -6.481 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.288 -7.114 -7.161 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.622 -9.199 -6.968 1.00 0.00 O ATOM 0 H ASP A 385 -9.242 -5.813 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.065 -6.269 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.637 -8.097 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.294 -8.590 -4.446 1.00 0.00 H new ATOM 481 N GLN A 386 -11.492 -7.125 -2.240 1.00 0.00 N ATOM 482 CA GLN A 386 -11.339 -7.065 -0.788 1.00 0.00 C ATOM 483 C GLN A 386 -9.865 -7.093 -0.397 1.00 0.00 C ATOM 484 O GLN A 386 -9.380 -6.202 0.302 1.00 0.00 O ATOM 485 CB GLN A 386 -12.074 -8.235 -0.127 1.00 0.00 C ATOM 486 CG GLN A 386 -11.939 -8.263 1.388 1.00 0.00 C ATOM 487 CD GLN A 386 -12.695 -9.416 2.019 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.912 -9.528 1.873 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.975 -10.279 2.728 1.00 0.00 N ATOM 0 H GLN A 386 -12.161 -7.820 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.774 -6.128 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.131 -8.183 -0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.691 -9.170 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.884 -8.336 1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.307 -7.323 1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.968 -10.147 2.822 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.429 -11.074 3.178 1.00 0.00 H new ATOM 498 N ASN A 387 -9.157 -8.113 -0.863 1.00 0.00 N ATOM 499 CA ASN A 387 -7.739 -8.258 -0.576 1.00 0.00 C ATOM 500 C ASN A 387 -6.923 -7.159 -1.251 1.00 0.00 C ATOM 501 O ASN A 387 -5.885 -6.740 -0.739 1.00 0.00 O ATOM 502 CB ASN A 387 -7.255 -9.632 -1.039 1.00 0.00 C ATOM 503 CG ASN A 387 -5.761 -9.801 -0.886 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.222 -9.724 0.218 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.083 -10.033 -2.001 1.00 0.00 N ATOM 0 H ASN A 387 -9.546 -8.855 -1.445 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.597 -8.168 0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.766 -10.406 -0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.529 -9.777 -2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -4.071 -10.156 -1.966 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.573 -10.088 -2.894 1.00 0.00 H new ATOM 512 N GLU A 388 -7.395 -6.702 -2.409 1.00 0.00 N ATOM 513 CA GLU A 388 -6.703 -5.659 -3.160 1.00 0.00 C ATOM 514 C GLU A 388 -7.009 -4.271 -2.612 1.00 0.00 C ATOM 515 O GLU A 388 -6.336 -3.303 -2.963 1.00 0.00 O ATOM 516 CB GLU A 388 -7.074 -5.731 -4.641 1.00 0.00 C ATOM 517 CG GLU A 388 -6.692 -7.044 -5.303 1.00 0.00 C ATOM 518 CD GLU A 388 -7.046 -7.079 -6.778 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.535 -6.225 -7.532 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.834 -7.963 -7.178 1.00 0.00 O ATOM 0 H GLU A 388 -8.253 -7.038 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.633 -5.833 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.149 -5.581 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.585 -4.912 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.621 -7.207 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.197 -7.864 -4.793 1.00 0.00 H new ATOM 527 N CYS A 389 -8.022 -4.173 -1.753 1.00 0.00 N ATOM 528 CA CYS A 389 -8.389 -2.888 -1.174 1.00 0.00 C ATOM 529 C CYS A 389 -7.180 -2.312 -0.444 1.00 0.00 C ATOM 530 O CYS A 389 -6.840 -2.733 0.663 1.00 0.00 O ATOM 531 CB CYS A 389 -9.589 -3.047 -0.234 1.00 0.00 C ATOM 532 SG CYS A 389 -10.460 -1.488 0.135 1.00 0.00 S ATOM 0 H CYS A 389 -8.595 -4.959 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.686 -2.197 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.295 -3.748 -0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.247 -3.490 0.702 1.00 0.00 H new ATOM 537 N LYS A 390 -6.508 -1.379 -1.109 1.00 0.00 N ATOM 538 CA LYS A 390 -5.294 -0.760 -0.588 1.00 0.00 C ATOM 539 C LYS A 390 -5.566 0.163 0.598 1.00 0.00 C ATOM 540 O LYS A 390 -6.693 0.602 0.819 1.00 0.00 O ATOM 541 CB LYS A 390 -4.588 -0.016 -1.716 1.00 0.00 C ATOM 542 CG LYS A 390 -4.237 -0.925 -2.888 1.00 0.00 C ATOM 543 CD LYS A 390 -3.659 -0.146 -4.057 1.00 0.00 C ATOM 544 CE LYS A 390 -3.327 -1.058 -5.228 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.321 -2.092 -4.862 1.00 0.00 N ATOM 0 H LYS A 390 -6.789 -1.030 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.646 -1.551 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.227 0.794 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.677 0.441 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.518 -1.676 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.130 -1.459 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.372 0.613 -4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.759 0.378 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -4.237 -1.545 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.947 -0.460 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.960 -2.546 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.533 -1.645 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.766 -2.809 -4.254 1.00 0.00 H new ATOM 559 N SER A 391 -4.512 0.423 1.373 1.00 0.00 N ATOM 560 CA SER A 391 -4.605 1.263 2.567 1.00 0.00 C ATOM 561 C SER A 391 -5.271 2.612 2.280 1.00 0.00 C ATOM 562 O SER A 391 -6.267 2.948 2.920 1.00 0.00 O ATOM 563 CB SER A 391 -3.219 1.475 3.180 1.00 0.00 C ATOM 564 OG SER A 391 -3.292 2.282 4.341 1.00 0.00 O ATOM 0 H SER A 391 -3.576 0.060 1.192 1.00 0.00 H new ATOM 0 HA SER A 391 -5.238 0.736 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.778 0.510 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.562 1.945 2.448 1.00 0.00 H new ATOM 0 HG SER A 391 -2.394 2.401 4.714 1.00 0.00 H new ATOM 570 N PRO A 392 -4.750 3.414 1.322 1.00 0.00 N ATOM 571 CA PRO A 392 -5.333 4.713 0.992 1.00 0.00 C ATOM 572 C PRO A 392 -6.828 4.606 0.742 1.00 0.00 C ATOM 573 O PRO A 392 -7.588 5.533 1.024 1.00 0.00 O ATOM 574 CB PRO A 392 -4.604 5.123 -0.298 1.00 0.00 C ATOM 575 CG PRO A 392 -3.878 3.910 -0.755 1.00 0.00 C ATOM 576 CD PRO A 392 -3.573 3.145 0.487 1.00 0.00 C ATOM 0 HA PRO A 392 -5.218 5.434 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.310 5.464 -1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -3.913 5.946 -0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.488 3.321 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -2.965 4.175 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.451 2.080 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.653 3.488 0.960 1.00 0.00 H new ATOM 584 N CYS A 393 -7.236 3.464 0.204 1.00 0.00 N ATOM 585 CA CYS A 393 -8.635 3.212 -0.099 1.00 0.00 C ATOM 586 C CYS A 393 -9.475 3.154 1.174 1.00 0.00 C ATOM 587 O CYS A 393 -9.095 3.692 2.214 1.00 0.00 O ATOM 588 CB CYS A 393 -8.765 1.897 -0.866 1.00 0.00 C ATOM 589 SG CYS A 393 -7.741 1.808 -2.368 1.00 0.00 S ATOM 0 H CYS A 393 -6.611 2.693 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.006 4.034 -0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.493 1.075 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.809 1.752 -1.142 1.00 0.00 H new ATOM 594 N LYS A 394 -10.615 2.489 1.074 1.00 0.00 N ATOM 595 CA LYS A 394 -11.527 2.337 2.199 1.00 0.00 C ATOM 596 C LYS A 394 -12.464 1.166 1.950 1.00 0.00 C ATOM 597 O LYS A 394 -13.366 1.236 1.113 1.00 0.00 O ATOM 598 CB LYS A 394 -12.304 3.635 2.423 1.00 0.00 C ATOM 599 CG LYS A 394 -13.406 3.533 3.469 1.00 0.00 C ATOM 600 CD LYS A 394 -13.891 4.907 3.912 1.00 0.00 C ATOM 601 CE LYS A 394 -14.221 5.804 2.728 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.291 5.228 1.869 1.00 0.00 N ATOM 0 H LYS A 394 -10.934 2.041 0.215 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.956 2.128 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.605 4.416 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.745 3.949 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.243 2.966 3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.037 2.981 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.775 4.794 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.124 5.382 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.536 6.782 3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.323 5.960 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.343 5.759 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.074 4.231 1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -16.204 5.290 2.363 1.00 0.00 H new ATOM 616 N TRP A 395 -12.214 0.077 2.668 1.00 0.00 N ATOM 617 CA TRP A 395 -12.996 -1.143 2.524 1.00 0.00 C ATOM 618 C TRP A 395 -14.430 -0.972 3.018 1.00 0.00 C ATOM 619 O TRP A 395 -14.693 -0.229 3.963 1.00 0.00 O ATOM 620 CB TRP A 395 -12.323 -2.294 3.276 1.00 0.00 C ATOM 621 CG TRP A 395 -13.056 -3.594 3.149 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.434 -4.423 4.166 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.499 -4.218 1.936 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.088 -5.521 3.664 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.141 -5.418 2.298 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.419 -3.879 0.581 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.697 -6.278 1.355 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.971 -4.734 -0.353 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.603 -5.920 0.038 1.00 0.00 C ATOM 0 H TRP A 395 -11.469 0.016 3.362 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.039 -1.374 1.460 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.307 -2.419 2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.243 -2.032 4.331 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.246 -4.241 5.214 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.472 -6.288 4.217 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.934 -2.965 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.185 -7.195 1.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.914 -4.483 -1.402 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -15.026 -6.567 -0.717 1.00 0.00 H new ATOM 640 N HIS A 396 -15.349 -1.688 2.373 1.00 0.00 N ATOM 641 CA HIS A 396 -16.759 -1.648 2.739 1.00 0.00 C ATOM 642 C HIS A 396 -17.348 -3.056 2.742 1.00 0.00 C ATOM 643 O HIS A 396 -17.453 -3.699 1.693 1.00 0.00 O ATOM 644 CB HIS A 396 -17.541 -0.760 1.771 1.00 0.00 C ATOM 645 CG HIS A 396 -17.120 0.674 1.805 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.184 1.448 2.944 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.631 1.479 0.831 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.753 2.666 2.670 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.411 2.711 1.395 1.00 0.00 N ATOM 0 H HIS A 396 -15.138 -2.306 1.589 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.839 -1.228 3.742 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.417 -1.143 0.758 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.603 -0.824 2.008 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.513 1.130 3.856 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.448 1.203 -0.197 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.691 3.486 3.370 1.00 0.00 H new ATOM 658 N ASN A 397 -17.728 -3.522 3.930 1.00 0.00 N ATOM 659 CA ASN A 397 -18.307 -4.853 4.091 1.00 0.00 C ATOM 660 C ASN A 397 -19.692 -4.930 3.461 1.00 0.00 C ATOM 661 O ASN A 397 -20.379 -3.918 3.328 1.00 0.00 O ATOM 662 CB ASN A 397 -18.383 -5.224 5.574 1.00 0.00 C ATOM 663 CG ASN A 397 -19.205 -4.236 6.380 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.393 -4.042 6.122 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.574 -3.608 7.364 1.00 0.00 N ATOM 0 H ASN A 397 -17.644 -2.994 4.799 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.660 -5.565 3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.817 -6.219 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.375 -5.273 5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.075 -2.933 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.588 -3.800 7.542 1.00 0.00 H new ATOM 672 N ASP A 398 -20.090 -6.139 3.069 1.00 0.00 N ATOM 673 CA ASP A 398 -21.390 -6.354 2.444 1.00 0.00 C ATOM 674 C ASP A 398 -21.479 -5.592 1.126 1.00 0.00 C ATOM 675 O ASP A 398 -20.945 -6.037 0.114 1.00 0.00 O ATOM 676 CB ASP A 398 -22.520 -5.934 3.390 1.00 0.00 C ATOM 677 CG ASP A 398 -22.525 -6.735 4.677 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.511 -6.694 5.406 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.543 -7.403 4.956 1.00 0.00 O ATOM 0 H ASP A 398 -19.529 -6.984 3.174 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.500 -7.418 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.418 -4.875 3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.478 -6.058 2.885 1.00 0.00 H new ATOM 684 N ALA A 399 -22.149 -4.441 1.144 1.00 0.00 N ATOM 685 CA ALA A 399 -22.298 -3.616 -0.053 1.00 0.00 C ATOM 686 C ALA A 399 -22.989 -4.378 -1.180 1.00 0.00 C ATOM 687 O ALA A 399 -22.965 -3.947 -2.334 1.00 0.00 O ATOM 688 CB ALA A 399 -20.938 -3.107 -0.512 1.00 0.00 C ATOM 0 H ALA A 399 -22.598 -4.058 1.976 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.930 -2.766 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.061 -2.494 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.487 -2.509 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.291 -3.954 -0.740 1.00 0.00 H new ATOM 694 N GLU A 400 -23.604 -5.509 -0.833 1.00 0.00 N ATOM 695 CA GLU A 400 -24.317 -6.348 -1.795 1.00 0.00 C ATOM 696 C GLU A 400 -23.355 -7.067 -2.739 1.00 0.00 C ATOM 697 O GLU A 400 -23.681 -8.126 -3.276 1.00 0.00 O ATOM 698 CB GLU A 400 -25.317 -5.517 -2.603 1.00 0.00 C ATOM 699 CG GLU A 400 -26.358 -4.816 -1.746 1.00 0.00 C ATOM 700 CD GLU A 400 -27.332 -3.994 -2.569 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.880 -3.071 -3.276 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.548 -4.277 -2.505 1.00 0.00 O ATOM 0 H GLU A 400 -23.622 -5.868 0.121 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.859 -7.103 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.773 -4.771 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.824 -6.167 -3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.910 -5.559 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.856 -4.167 -1.029 1.00 0.00 H new ATOM 709 N ASN A 401 -22.179 -6.484 -2.945 1.00 0.00 N ATOM 710 CA ASN A 401 -21.183 -7.064 -3.837 1.00 0.00 C ATOM 711 C ASN A 401 -19.778 -6.605 -3.459 1.00 0.00 C ATOM 712 O ASN A 401 -18.863 -6.634 -4.281 1.00 0.00 O ATOM 713 CB ASN A 401 -21.490 -6.642 -5.268 1.00 0.00 C ATOM 714 CG ASN A 401 -22.758 -7.273 -5.800 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.811 -8.476 -6.058 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.797 -6.463 -5.942 1.00 0.00 N ATOM 0 H ASN A 401 -21.892 -5.609 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.223 -8.150 -3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.583 -5.557 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.654 -6.916 -5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.688 -6.830 -6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.706 -5.473 -5.716 1.00 0.00 H new ATOM 723 N LYS A 402 -19.627 -6.185 -2.208 1.00 0.00 N ATOM 724 CA LYS A 402 -18.342 -5.714 -1.689 1.00 0.00 C ATOM 725 C LYS A 402 -17.903 -4.435 -2.397 1.00 0.00 C ATOM 726 O LYS A 402 -18.034 -4.313 -3.614 1.00 0.00 O ATOM 727 CB LYS A 402 -17.277 -6.802 -1.853 1.00 0.00 C ATOM 728 CG LYS A 402 -17.634 -8.110 -1.165 1.00 0.00 C ATOM 729 CD LYS A 402 -17.801 -7.927 0.336 1.00 0.00 C ATOM 730 CE LYS A 402 -18.260 -9.212 1.005 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.309 -10.332 0.769 1.00 0.00 N ATOM 0 H LYS A 402 -20.385 -6.160 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.462 -5.491 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.122 -6.990 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.331 -6.437 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.558 -8.504 -1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.855 -8.847 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.855 -7.606 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.526 -7.136 0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.365 -9.045 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.245 -9.486 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.554 -11.132 1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.366 -10.632 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.341 -10.016 0.980 1.00 0.00 H new ATOM 745 N LYS A 403 -17.397 -3.468 -1.630 1.00 0.00 N ATOM 746 CA LYS A 403 -16.968 -2.200 -2.211 1.00 0.00 C ATOM 747 C LYS A 403 -15.699 -1.650 -1.564 1.00 0.00 C ATOM 748 O LYS A 403 -15.505 -1.748 -0.353 1.00 0.00 O ATOM 749 CB LYS A 403 -18.090 -1.171 -2.090 1.00 0.00 C ATOM 750 CG LYS A 403 -19.318 -1.515 -2.912 1.00 0.00 C ATOM 751 CD LYS A 403 -19.056 -1.375 -4.405 1.00 0.00 C ATOM 752 CE LYS A 403 -18.734 0.063 -4.785 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.847 0.990 -4.443 1.00 0.00 N ATOM 0 H LYS A 403 -17.276 -3.538 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.738 -2.392 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.377 -1.080 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.714 -0.197 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.629 -2.536 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.142 -0.862 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.227 -2.022 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.931 -1.712 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.827 0.380 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.530 0.119 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.699 1.901 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.750 0.578 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.871 1.139 -3.414 1.00 0.00 H new ATOM 767 N CYS A 404 -14.855 -1.042 -2.396 1.00 0.00 N ATOM 768 CA CYS A 404 -13.607 -0.429 -1.949 1.00 0.00 C ATOM 769 C CYS A 404 -13.417 0.893 -2.686 1.00 0.00 C ATOM 770 O CYS A 404 -13.492 0.938 -3.914 1.00 0.00 O ATOM 771 CB CYS A 404 -12.415 -1.356 -2.216 1.00 0.00 C ATOM 772 SG CYS A 404 -10.803 -0.672 -1.700 1.00 0.00 S ATOM 0 H CYS A 404 -15.018 -0.961 -3.400 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.660 -0.253 -0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.580 -2.300 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.377 -1.582 -3.282 1.00 0.00 H new ATOM 777 N THR A 405 -13.198 1.973 -1.941 1.00 0.00 N ATOM 778 CA THR A 405 -13.036 3.289 -2.551 1.00 0.00 C ATOM 779 C THR A 405 -11.965 4.120 -1.854 1.00 0.00 C ATOM 780 O THR A 405 -11.797 4.049 -0.638 1.00 0.00 O ATOM 781 CB THR A 405 -14.357 4.080 -2.531 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.794 4.269 -1.180 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.438 3.356 -3.320 1.00 0.00 C ATOM 0 H THR A 405 -13.129 1.964 -0.923 1.00 0.00 H new ATOM 0 HA THR A 405 -12.727 3.107 -3.580 1.00 0.00 H new ATOM 0 HB THR A 405 -14.179 5.049 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.634 4.774 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.360 3.936 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.116 3.239 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.612 2.374 -2.881 1.00 0.00 H new ATOM 791 N LEU A 406 -11.249 4.915 -2.646 1.00 0.00 N ATOM 792 CA LEU A 406 -10.199 5.780 -2.132 1.00 0.00 C ATOM 793 C LEU A 406 -10.789 6.875 -1.260 1.00 0.00 C ATOM 794 O LEU A 406 -11.864 7.402 -1.545 1.00 0.00 O ATOM 795 CB LEU A 406 -9.407 6.386 -3.294 1.00 0.00 C ATOM 796 CG LEU A 406 -8.126 7.137 -2.921 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.441 8.521 -2.379 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.317 6.334 -1.917 1.00 0.00 C ATOM 0 H LEU A 406 -11.382 4.975 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.523 5.185 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.145 5.585 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.061 7.071 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.529 7.263 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.513 9.031 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.974 9.096 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.063 8.430 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.409 6.880 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.910 6.174 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.050 5.371 -2.352 1.00 0.00 H new ATOM 810 N ASP A 407 -10.076 7.213 -0.197 1.00 0.00 N ATOM 811 CA ASP A 407 -10.524 8.249 0.723 1.00 0.00 C ATOM 812 C ASP A 407 -9.373 9.178 1.083 1.00 0.00 C ATOM 813 O ASP A 407 -8.306 8.725 1.497 1.00 0.00 O ATOM 814 CB ASP A 407 -11.103 7.616 1.992 1.00 0.00 C ATOM 815 CG ASP A 407 -11.679 8.641 2.951 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.659 9.846 2.622 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.156 8.236 4.033 1.00 0.00 O ATOM 0 H ASP A 407 -9.184 6.785 0.051 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.302 8.833 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.882 6.906 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.322 7.050 2.499 1.00 0.00 H new ATOM 822 N LYS A 408 -9.593 10.478 0.921 1.00 0.00 N ATOM 823 CA LYS A 408 -8.569 11.468 1.229 1.00 0.00 C ATOM 824 C LYS A 408 -8.225 11.441 2.713 1.00 0.00 C ATOM 825 O LYS A 408 -7.055 11.473 3.087 1.00 0.00 O ATOM 826 CB LYS A 408 -9.035 12.867 0.829 1.00 0.00 C ATOM 827 CG LYS A 408 -9.317 13.016 -0.656 1.00 0.00 C ATOM 828 CD LYS A 408 -9.811 14.414 -0.990 1.00 0.00 C ATOM 829 CE LYS A 408 -10.054 14.579 -2.481 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.812 14.361 -3.273 1.00 0.00 N ATOM 0 H LYS A 408 -10.470 10.870 0.579 1.00 0.00 H new ATOM 0 HA LYS A 408 -7.676 11.218 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.938 13.113 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -8.273 13.591 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -8.411 12.804 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.063 12.282 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.734 14.614 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.078 15.149 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.819 13.874 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.439 15.580 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -8.942 14.739 -4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -8.017 14.849 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.609 13.342 -3.326 1.00 0.00 H new ATOM 844 N GLU A 409 -9.255 11.378 3.553 1.00 0.00 N ATOM 845 CA GLU A 409 -9.063 11.343 4.998 1.00 0.00 C ATOM 846 C GLU A 409 -8.139 10.193 5.389 1.00 0.00 C ATOM 847 O GLU A 409 -7.203 10.372 6.171 1.00 0.00 O ATOM 848 CB GLU A 409 -10.411 11.200 5.710 1.00 0.00 C ATOM 849 CG GLU A 409 -11.378 12.336 5.414 1.00 0.00 C ATOM 850 CD GLU A 409 -12.700 12.185 6.145 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.859 11.194 6.888 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.575 13.059 5.972 1.00 0.00 O ATOM 0 H GLU A 409 -10.231 11.350 3.257 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.600 12.281 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.870 10.257 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.241 11.149 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.917 13.283 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.564 12.379 4.341 1.00 0.00 H new ATOM 859 N GLU A 410 -8.402 9.017 4.829 1.00 0.00 N ATOM 860 CA GLU A 410 -7.588 7.839 5.109 1.00 0.00 C ATOM 861 C GLU A 410 -6.169 8.033 4.586 1.00 0.00 C ATOM 862 O GLU A 410 -5.198 7.783 5.298 1.00 0.00 O ATOM 863 CB GLU A 410 -8.218 6.595 4.477 1.00 0.00 C ATOM 864 CG GLU A 410 -7.413 5.322 4.691 1.00 0.00 C ATOM 865 CD GLU A 410 -7.314 4.921 6.152 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.923 5.605 7.003 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.631 3.917 6.446 1.00 0.00 O ATOM 0 H GLU A 410 -9.171 8.854 4.179 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.544 7.700 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.217 6.456 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.336 6.763 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.872 4.510 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.409 5.462 4.289 1.00 0.00 H new ATOM 874 N ALA A 411 -6.060 8.485 3.340 1.00 0.00 N ATOM 875 CA ALA A 411 -4.761 8.721 2.718 1.00 0.00 C ATOM 876 C ALA A 411 -3.894 9.633 3.579 1.00 0.00 C ATOM 877 O ALA A 411 -2.694 9.403 3.732 1.00 0.00 O ATOM 878 CB ALA A 411 -4.945 9.324 1.334 1.00 0.00 C ATOM 0 H ALA A 411 -6.858 8.696 2.740 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.252 7.762 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -3.969 9.496 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -5.520 8.638 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.478 10.271 1.418 1.00 0.00 H new ATOM 884 N LYS A 412 -4.510 10.668 4.137 1.00 0.00 N ATOM 885 CA LYS A 412 -3.801 11.618 4.985 1.00 0.00 C ATOM 886 C LYS A 412 -3.222 10.924 6.214 1.00 0.00 C ATOM 887 O LYS A 412 -2.071 11.152 6.583 1.00 0.00 O ATOM 888 CB LYS A 412 -4.746 12.742 5.413 1.00 0.00 C ATOM 889 CG LYS A 412 -5.267 13.572 4.251 1.00 0.00 C ATOM 890 CD LYS A 412 -6.360 14.534 4.693 1.00 0.00 C ATOM 891 CE LYS A 412 -5.841 15.561 5.687 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.749 16.393 5.109 1.00 0.00 N ATOM 0 H LYS A 412 -5.502 10.871 4.017 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.976 12.041 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.592 12.311 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.226 13.397 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -4.445 14.134 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.655 12.911 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.768 15.046 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.178 13.972 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.661 16.207 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.475 15.051 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.574 17.213 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.881 15.824 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.028 16.723 4.163 1.00 0.00 H new