USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 470 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 421 CYS SG : rot 97:sc= -22! USER MOD Set 1.2: A 427 CYS SG : rot 147:sc= -7.59! USER MOD Set 1.3: A 434 HIS : no HE2:sc= -8.09! C(o=-43!,f=-83!) USER MOD Set 1.4: A 440 HIS : no HD1:sc= -5.41! C(o=-43!,f=-82!) USER MOD Set 2.1: A 379 CYS SG : rot 106:sc= -8.51! USER MOD Set 2.2: A 385 CYS SG : rot -135:sc= -10.5! USER MOD Set 2.3: A 392 HIS : no HD1:sc= -4.66! C(o=-37!,f=-76!) USER MOD Set 2.4: A 398 HIS : no HE2:sc= -12.9! C(o=-37!,f=-73!) USER MOD Set 3.1: A 380 MET CE :methyl -151:sc= -0.169 (180deg=-1.57) USER MOD Set 3.2: A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 377 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 378 SER OG : rot 64:sc= 0.485 USER MOD Single : A 384 ASN : amide:sc= 0.00381 X(o=0.0038,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0714) USER MOD Single : A 389 ASN :FLIP amide:sc= -0.986 F(o=-1.7!,f=-0.99) USER MOD Single : A 394 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.8!) USER MOD Single : A 395 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-8.6!) USER MOD Single : A 397 SER OG : rot -96:sc= -1.41! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ -123:sc= -0.755 (180deg=-2.68!) USER MOD Single : A 431 ASN :FLIP amide:sc= 0.0191 F(o=-1.8,f=0.019) USER MOD Single : A 433 GLN : amide:sc= -0.585 X(o=-0.59,f=-0.098) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN :FLIP amide:sc= -0.356 F(o=-3.9!,f=-0.36) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -5.694 12.324 -6.087 1.00 0.00 N ATOM 257 CA ARG A 376 -4.911 11.778 -7.188 1.00 0.00 C ATOM 258 C ARG A 376 -3.867 10.817 -6.656 1.00 0.00 C ATOM 259 O ARG A 376 -3.816 10.516 -5.453 1.00 0.00 O ATOM 260 CB ARG A 376 -4.234 12.876 -8.007 1.00 0.00 C ATOM 261 CG ARG A 376 -5.135 13.574 -9.023 1.00 0.00 C ATOM 262 CD ARG A 376 -6.056 14.616 -8.395 1.00 0.00 C ATOM 263 NE ARG A 376 -5.288 15.709 -7.791 1.00 0.00 N ATOM 264 CZ ARG A 376 -5.715 16.966 -7.702 1.00 0.00 C ATOM 265 NH1 ARG A 376 -6.894 17.294 -8.231 1.00 0.00 N ATOM 266 NH2 ARG A 376 -4.972 17.883 -7.102 1.00 0.00 N ATOM 0 HA ARG A 376 -5.598 11.248 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -3.836 13.625 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.385 12.443 -8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.514 14.056 -9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.740 12.826 -9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.727 15.017 -9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.679 14.144 -7.636 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.365 15.491 -7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.459 16.584 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.231 18.255 -8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.068 17.627 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -5.304 18.845 -7.036 1.00 0.00 H new ATOM 280 N THR A 377 -3.038 10.328 -7.560 1.00 0.00 N ATOM 281 CA THR A 377 -1.929 9.464 -7.207 1.00 0.00 C ATOM 282 C THR A 377 -0.622 10.218 -7.507 1.00 0.00 C ATOM 283 O THR A 377 -0.610 11.171 -8.278 1.00 0.00 O ATOM 284 CB THR A 377 -1.979 8.122 -7.967 1.00 0.00 C ATOM 285 OG1 THR A 377 -0.819 7.317 -7.665 1.00 0.00 O ATOM 286 CG2 THR A 377 -2.067 8.347 -9.468 1.00 0.00 C ATOM 0 H THR A 377 -3.115 10.519 -8.559 1.00 0.00 H new ATOM 0 HA THR A 377 -1.988 9.218 -6.147 1.00 0.00 H new ATOM 0 HB THR A 377 -2.874 7.593 -7.639 1.00 0.00 H new ATOM 0 HG1 THR A 377 -0.872 6.470 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 377 -2.101 7.385 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 377 -2.970 8.912 -9.699 1.00 0.00 H new ATOM 0 HG23 THR A 377 -1.193 8.906 -9.804 1.00 0.00 H new ATOM 294 N SER A 378 0.470 9.803 -6.891 1.00 0.00 N ATOM 295 CA SER A 378 1.746 10.500 -7.018 1.00 0.00 C ATOM 296 C SER A 378 2.252 10.465 -8.451 1.00 0.00 C ATOM 297 O SER A 378 2.376 9.381 -9.048 1.00 0.00 O ATOM 298 CB SER A 378 2.763 9.892 -6.064 1.00 0.00 C ATOM 299 OG SER A 378 4.015 10.570 -6.140 1.00 0.00 O ATOM 0 H SER A 378 0.502 8.979 -6.291 1.00 0.00 H new ATOM 0 HA SER A 378 1.598 11.547 -6.752 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.382 9.941 -5.044 1.00 0.00 H new ATOM 0 HB3 SER A 378 2.903 8.838 -6.302 1.00 0.00 H new ATOM 0 HG SER A 378 3.903 11.498 -5.847 1.00 0.00 H new ATOM 305 N CYS A 379 2.515 11.645 -9.014 1.00 0.00 N ATOM 306 CA CYS A 379 3.130 11.740 -10.345 1.00 0.00 C ATOM 307 C CYS A 379 4.443 10.964 -10.304 1.00 0.00 C ATOM 308 O CYS A 379 5.321 11.263 -9.490 1.00 0.00 O ATOM 309 CB CYS A 379 3.385 13.214 -10.717 1.00 0.00 C ATOM 310 SG CYS A 379 3.890 13.525 -12.448 1.00 0.00 S ATOM 0 H CYS A 379 2.315 12.544 -8.576 1.00 0.00 H new ATOM 0 HA CYS A 379 2.466 11.321 -11.101 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.476 13.782 -10.516 1.00 0.00 H new ATOM 0 HB3 CYS A 379 4.159 13.607 -10.057 1.00 0.00 H new ATOM 0 HG CYS A 379 2.895 14.046 -13.103 1.00 0.00 H new ATOM 315 N MET A 380 4.578 9.965 -11.190 1.00 0.00 N ATOM 316 CA MET A 380 5.706 9.056 -11.177 1.00 0.00 C ATOM 317 C MET A 380 7.041 9.812 -11.245 1.00 0.00 C ATOM 318 O MET A 380 8.066 9.307 -10.780 1.00 0.00 O ATOM 319 CB MET A 380 5.602 8.055 -12.317 1.00 0.00 C ATOM 320 CG MET A 380 5.710 8.671 -13.691 1.00 0.00 C ATOM 321 SD MET A 380 5.634 7.441 -15.010 1.00 0.00 S ATOM 322 CE MET A 380 7.060 6.443 -14.622 1.00 0.00 C ATOM 0 H MET A 380 3.902 9.775 -11.930 1.00 0.00 H new ATOM 0 HA MET A 380 5.680 8.513 -10.232 1.00 0.00 H new ATOM 0 HB2 MET A 380 6.388 7.308 -12.203 1.00 0.00 H new ATOM 0 HB3 MET A 380 4.650 7.530 -12.240 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.905 9.393 -13.826 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.648 9.221 -13.766 1.00 0.00 H new ATOM 0 HE1 MET A 380 7.457 6.004 -15.537 1.00 0.00 H new ATOM 0 HE2 MET A 380 7.824 7.066 -14.157 1.00 0.00 H new ATOM 0 HE3 MET A 380 6.772 5.648 -13.934 1.00 0.00 H new ATOM 332 N TYR A 381 7.007 11.011 -11.829 1.00 0.00 N ATOM 333 CA TYR A 381 8.206 11.845 -11.928 1.00 0.00 C ATOM 334 C TYR A 381 8.092 13.060 -11.017 1.00 0.00 C ATOM 335 O TYR A 381 9.055 13.800 -10.841 1.00 0.00 O ATOM 336 CB TYR A 381 8.419 12.322 -13.364 1.00 0.00 C ATOM 337 CG TYR A 381 8.463 11.214 -14.402 1.00 0.00 C ATOM 338 CD1 TYR A 381 9.408 10.212 -14.328 1.00 0.00 C ATOM 339 CD2 TYR A 381 7.560 11.183 -15.450 1.00 0.00 C ATOM 340 CE1 TYR A 381 9.459 9.209 -15.282 1.00 0.00 C ATOM 341 CE2 TYR A 381 7.613 10.184 -16.408 1.00 0.00 C ATOM 342 CZ TYR A 381 8.562 9.204 -16.322 1.00 0.00 C ATOM 343 OH TYR A 381 8.619 8.215 -17.261 1.00 0.00 O ATOM 0 H TYR A 381 6.169 11.424 -12.238 1.00 0.00 H new ATOM 0 HA TYR A 381 9.056 11.236 -11.619 1.00 0.00 H new ATOM 0 HB2 TYR A 381 7.618 13.014 -13.625 1.00 0.00 H new ATOM 0 HB3 TYR A 381 9.353 12.883 -13.411 1.00 0.00 H new ATOM 0 HD1 TYR A 381 10.118 10.209 -13.515 1.00 0.00 H new ATOM 0 HD2 TYR A 381 6.802 11.949 -15.522 1.00 0.00 H new ATOM 0 HE1 TYR A 381 10.204 8.431 -15.208 1.00 0.00 H new ATOM 0 HE2 TYR A 381 6.904 10.179 -17.223 1.00 0.00 H new ATOM 0 HH TYR A 381 7.915 8.356 -17.928 1.00 0.00 H new ATOM 353 N GLY A 382 6.903 13.257 -10.453 1.00 0.00 N ATOM 354 CA GLY A 382 6.690 14.421 -9.639 1.00 0.00 C ATOM 355 C GLY A 382 6.676 15.673 -10.492 1.00 0.00 C ATOM 356 O GLY A 382 6.054 15.671 -11.557 1.00 0.00 O ATOM 0 H GLY A 382 6.099 12.636 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.745 14.329 -9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.476 14.495 -8.888 1.00 0.00 H new ATOM 360 N ALA A 383 7.376 16.707 -10.070 1.00 0.00 N ATOM 361 CA ALA A 383 7.461 17.952 -10.824 1.00 0.00 C ATOM 362 C ALA A 383 8.449 17.829 -11.982 1.00 0.00 C ATOM 363 O ALA A 383 8.648 18.758 -12.754 1.00 0.00 O ATOM 364 CB ALA A 383 7.866 19.095 -9.905 1.00 0.00 C ATOM 0 H ALA A 383 7.903 16.713 -9.197 1.00 0.00 H new ATOM 0 HA ALA A 383 6.477 18.163 -11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 383 7.926 20.020 -10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.124 19.207 -9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 383 8.838 18.879 -9.462 1.00 0.00 H new ATOM 370 N ASN A 384 9.045 16.650 -12.114 1.00 0.00 N ATOM 371 CA ASN A 384 10.029 16.385 -13.169 1.00 0.00 C ATOM 372 C ASN A 384 9.382 15.748 -14.391 1.00 0.00 C ATOM 373 O ASN A 384 10.040 15.491 -15.404 1.00 0.00 O ATOM 374 CB ASN A 384 11.159 15.495 -12.634 1.00 0.00 C ATOM 375 CG ASN A 384 11.933 16.163 -11.516 1.00 0.00 C ATOM 376 OD1 ASN A 384 12.913 16.874 -11.749 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.504 15.949 -10.282 1.00 0.00 N ATOM 0 H ASN A 384 8.866 15.854 -11.502 1.00 0.00 H new ATOM 0 HA ASN A 384 10.450 17.342 -13.479 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.740 14.556 -12.273 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.840 15.247 -13.448 1.00 0.00 H new ATOM 0 HD21 ASN A 384 11.987 16.377 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.690 15.356 -10.121 1.00 0.00 H new ATOM 384 N CYS A 385 8.083 15.481 -14.307 1.00 0.00 N ATOM 385 CA CYS A 385 7.348 14.915 -15.432 1.00 0.00 C ATOM 386 C CYS A 385 7.250 15.925 -16.562 1.00 0.00 C ATOM 387 O CYS A 385 6.947 17.105 -16.331 1.00 0.00 O ATOM 388 CB CYS A 385 5.961 14.447 -14.981 1.00 0.00 C ATOM 389 SG CYS A 385 4.986 15.688 -14.077 1.00 0.00 S ATOM 0 H CYS A 385 7.519 15.647 -13.474 1.00 0.00 H new ATOM 0 HA CYS A 385 7.890 14.046 -15.806 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.397 14.133 -15.859 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.079 13.568 -14.347 1.00 0.00 H new ATOM 0 HG CYS A 385 4.435 15.134 -13.038 1.00 0.00 H new ATOM 394 N TYR A 386 7.514 15.480 -17.782 1.00 0.00 N ATOM 395 CA TYR A 386 7.534 16.341 -18.962 1.00 0.00 C ATOM 396 C TYR A 386 6.130 16.631 -19.453 1.00 0.00 C ATOM 397 O TYR A 386 5.920 17.539 -20.282 1.00 0.00 O ATOM 398 CB TYR A 386 8.402 15.719 -20.066 1.00 0.00 C ATOM 399 CG TYR A 386 8.117 14.243 -20.328 1.00 0.00 C ATOM 400 CD1 TYR A 386 7.143 13.850 -21.234 1.00 0.00 C ATOM 401 CD2 TYR A 386 8.826 13.242 -19.665 1.00 0.00 C ATOM 402 CE1 TYR A 386 6.877 12.511 -21.466 1.00 0.00 C ATOM 403 CE2 TYR A 386 8.569 11.907 -19.892 1.00 0.00 C ATOM 404 CZ TYR A 386 7.588 11.545 -20.790 1.00 0.00 C ATOM 405 OH TYR A 386 7.327 10.220 -21.018 1.00 0.00 O ATOM 0 H TYR A 386 7.723 14.503 -17.985 1.00 0.00 H new ATOM 0 HA TYR A 386 7.980 17.296 -18.683 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.250 16.277 -20.990 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.452 15.832 -19.795 1.00 0.00 H new ATOM 0 HD1 TYR A 386 6.582 14.602 -21.768 1.00 0.00 H new ATOM 0 HD2 TYR A 386 9.594 13.519 -18.958 1.00 0.00 H new ATOM 0 HE1 TYR A 386 6.114 12.225 -22.175 1.00 0.00 H new ATOM 0 HE2 TYR A 386 9.133 11.149 -19.369 1.00 0.00 H new ATOM 0 HH TYR A 386 7.917 9.670 -20.462 1.00 0.00 H new ATOM 415 N ARG A 387 5.147 15.873 -18.969 1.00 0.00 N ATOM 416 CA ARG A 387 3.765 16.089 -19.346 1.00 0.00 C ATOM 417 C ARG A 387 3.221 17.366 -18.688 1.00 0.00 C ATOM 418 O ARG A 387 3.294 17.533 -17.476 1.00 0.00 O ATOM 419 CB ARG A 387 2.877 14.889 -18.970 1.00 0.00 C ATOM 420 CG ARG A 387 3.183 13.635 -19.785 1.00 0.00 C ATOM 421 CD ARG A 387 3.165 13.923 -21.299 1.00 0.00 C ATOM 422 NE ARG A 387 3.539 12.758 -22.086 1.00 0.00 N ATOM 423 CZ ARG A 387 4.023 12.826 -23.328 1.00 0.00 C ATOM 424 NH1 ARG A 387 4.222 14.013 -23.902 1.00 0.00 N ATOM 425 NH2 ARG A 387 4.352 11.725 -23.978 1.00 0.00 N ATOM 0 H ARG A 387 5.290 15.104 -18.314 1.00 0.00 H new ATOM 0 HA ARG A 387 3.738 16.202 -20.430 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.007 14.667 -17.911 1.00 0.00 H new ATOM 0 HB3 ARG A 387 1.831 15.161 -19.112 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.160 13.245 -19.500 1.00 0.00 H new ATOM 0 HG3 ARG A 387 2.451 12.862 -19.553 1.00 0.00 H new ATOM 0 HD2 ARG A 387 2.168 14.252 -21.592 1.00 0.00 H new ATOM 0 HD3 ARG A 387 3.849 14.743 -21.519 1.00 0.00 H new ATOM 0 HE ARG A 387 3.425 11.836 -21.664 1.00 0.00 H new ATOM 0 HH11 ARG A 387 4.004 14.869 -23.392 1.00 0.00 H new ATOM 0 HH12 ARG A 387 4.592 14.065 -24.851 1.00 0.00 H new ATOM 0 HH21 ARG A 387 4.237 10.815 -23.531 1.00 0.00 H new ATOM 0 HH22 ARG A 387 4.721 11.784 -24.927 1.00 0.00 H new ATOM 439 N LYS A 388 2.643 18.227 -19.517 1.00 0.00 N ATOM 440 CA LYS A 388 2.143 19.522 -19.069 1.00 0.00 C ATOM 441 C LYS A 388 0.647 19.627 -19.341 1.00 0.00 C ATOM 442 O LYS A 388 -0.024 20.585 -18.925 1.00 0.00 O ATOM 443 CB LYS A 388 2.875 20.703 -19.739 1.00 0.00 C ATOM 444 CG LYS A 388 2.869 20.660 -21.273 1.00 0.00 C ATOM 445 CD LYS A 388 3.957 19.721 -21.804 1.00 0.00 C ATOM 446 CE LYS A 388 4.079 19.831 -23.305 1.00 0.00 C ATOM 447 NZ LYS A 388 4.678 21.115 -23.755 1.00 0.00 N ATOM 0 H LYS A 388 2.508 18.049 -20.512 1.00 0.00 H new ATOM 0 HA LYS A 388 2.334 19.584 -17.998 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.414 21.635 -19.411 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.908 20.720 -19.391 1.00 0.00 H new ATOM 0 HG2 LYS A 388 1.893 20.327 -21.626 1.00 0.00 H new ATOM 0 HG3 LYS A 388 3.026 21.664 -21.668 1.00 0.00 H new ATOM 0 HD2 LYS A 388 4.912 19.965 -21.339 1.00 0.00 H new ATOM 0 HD3 LYS A 388 3.722 18.693 -21.529 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.687 19.005 -23.674 1.00 0.00 H new ATOM 0 HE3 LYS A 388 3.091 19.723 -23.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 4.906 21.056 -24.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 4.001 21.888 -23.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 5.547 21.301 -23.215 1.00 0.00 H new ATOM 461 N ASN A 389 0.111 18.620 -20.035 1.00 0.00 N ATOM 462 CA ASN A 389 -1.302 18.545 -20.347 1.00 0.00 C ATOM 463 C ASN A 389 -2.124 18.390 -19.072 1.00 0.00 C ATOM 464 O ASN A 389 -1.722 17.646 -18.161 1.00 0.00 O ATOM 465 CB ASN A 389 -1.563 17.363 -21.310 1.00 0.00 C ATOM 466 CG ASN A 389 -1.128 16.026 -20.744 1.00 0.00 C ATOM 467 OD1 ASN A 389 -2.047 15.266 -20.188 1.00 0.00 O flip ATOM 468 ND2 ASN A 389 0.040 15.654 -20.836 1.00 0.00 N flip ATOM 0 H ASN A 389 0.655 17.835 -20.394 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.606 19.471 -20.835 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.627 17.322 -21.545 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -1.036 17.543 -22.247 1.00 0.00 H new ATOM 0 HD21 ASN A 389 0.736 16.260 -21.271 1.00 0.00 H new ATOM 0 HD22 ASN A 389 0.314 14.739 -20.477 1.00 0.00 H new ATOM 475 N PRO A 390 -3.259 19.100 -18.951 1.00 0.00 N ATOM 476 CA PRO A 390 -4.069 19.145 -17.718 1.00 0.00 C ATOM 477 C PRO A 390 -4.446 17.764 -17.211 1.00 0.00 C ATOM 478 O PRO A 390 -4.520 17.511 -16.001 1.00 0.00 O ATOM 479 CB PRO A 390 -5.323 19.953 -18.119 1.00 0.00 C ATOM 480 CG PRO A 390 -5.312 19.969 -19.609 1.00 0.00 C ATOM 481 CD PRO A 390 -3.871 19.929 -20.015 1.00 0.00 C ATOM 0 HA PRO A 390 -3.516 19.596 -16.894 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.231 19.488 -17.736 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.287 20.964 -17.713 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -5.854 19.113 -20.012 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.800 20.865 -19.993 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -3.740 19.484 -21.001 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.433 20.926 -20.054 1.00 0.00 H new ATOM 489 N VAL A 391 -4.679 16.828 -18.153 1.00 0.00 N ATOM 490 CA VAL A 391 -5.062 15.477 -17.782 1.00 0.00 C ATOM 491 C VAL A 391 -3.985 14.830 -16.917 1.00 0.00 C ATOM 492 O VAL A 391 -4.309 14.066 -16.000 1.00 0.00 O ATOM 493 CB VAL A 391 -5.339 14.614 -19.036 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.521 13.171 -18.666 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.577 15.066 -19.745 1.00 0.00 C ATOM 0 H VAL A 391 -4.607 16.992 -19.157 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.982 15.537 -17.201 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.475 14.728 -19.691 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.714 12.586 -19.565 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.617 12.803 -18.181 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.364 13.074 -17.982 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.744 14.440 -20.621 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.431 14.985 -19.073 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.459 16.103 -20.058 1.00 0.00 H new ATOM 505 N HIS A 392 -2.725 15.143 -17.179 1.00 0.00 N ATOM 506 CA HIS A 392 -1.647 14.598 -16.411 1.00 0.00 C ATOM 507 C HIS A 392 -1.831 14.876 -14.919 1.00 0.00 C ATOM 508 O HIS A 392 -1.570 14.031 -14.068 1.00 0.00 O ATOM 509 CB HIS A 392 -0.273 15.174 -16.871 1.00 0.00 C ATOM 510 CG HIS A 392 0.887 14.675 -16.073 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.292 13.348 -16.043 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.752 15.343 -15.259 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.347 13.254 -15.207 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.675 14.449 -14.714 1.00 0.00 N ATOM 0 H HIS A 392 -2.436 15.776 -17.925 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.656 13.521 -16.578 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -0.116 14.921 -17.920 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.305 16.262 -16.807 1.00 0.00 H new ATOM 0 HD2 HIS A 392 1.727 16.405 -15.065 1.00 0.00 H new ATOM 0 HE1 HIS A 392 2.858 12.333 -14.969 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.439 14.664 -14.074 1.00 0.00 H new ATOM 522 N PHE A 393 -2.341 16.055 -14.629 1.00 0.00 N ATOM 523 CA PHE A 393 -2.488 16.518 -13.248 1.00 0.00 C ATOM 524 C PHE A 393 -3.855 16.108 -12.657 1.00 0.00 C ATOM 525 O PHE A 393 -4.017 16.004 -11.434 1.00 0.00 O ATOM 526 CB PHE A 393 -2.325 18.036 -13.191 1.00 0.00 C ATOM 527 CG PHE A 393 -0.998 18.502 -13.718 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.753 18.631 -15.079 1.00 0.00 C ATOM 529 CD2 PHE A 393 0.026 18.822 -12.834 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.475 19.037 -15.551 1.00 0.00 C ATOM 531 CE2 PHE A 393 1.263 19.245 -13.307 1.00 0.00 C ATOM 532 CZ PHE A 393 1.483 19.337 -14.655 1.00 0.00 C ATOM 0 H PHE A 393 -2.665 16.721 -15.331 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.711 16.046 -12.648 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.123 18.504 -13.767 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.438 18.370 -12.160 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.542 18.408 -15.782 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.141 18.741 -11.770 1.00 0.00 H new ATOM 0 HE1 PHE A 393 0.649 19.120 -16.614 1.00 0.00 H new ATOM 0 HE2 PHE A 393 2.049 19.501 -12.612 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.451 19.646 -15.021 1.00 0.00 H new ATOM 542 N GLN A 394 -4.830 15.815 -13.527 1.00 0.00 N ATOM 543 CA GLN A 394 -6.180 15.461 -13.067 1.00 0.00 C ATOM 544 C GLN A 394 -6.168 14.070 -12.426 1.00 0.00 C ATOM 545 O GLN A 394 -7.035 13.764 -11.597 1.00 0.00 O ATOM 546 CB GLN A 394 -7.198 15.520 -14.224 1.00 0.00 C ATOM 547 CG GLN A 394 -7.205 14.307 -15.167 1.00 0.00 C ATOM 548 CD GLN A 394 -8.275 13.272 -14.817 1.00 0.00 C ATOM 549 OE1 GLN A 394 -8.025 12.331 -14.082 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.461 13.442 -15.345 1.00 0.00 N ATOM 0 H GLN A 394 -4.713 15.815 -14.540 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.489 16.191 -12.319 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.196 15.633 -13.800 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -6.999 16.415 -14.814 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.364 14.651 -16.189 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.226 13.829 -15.140 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.638 14.240 -15.956 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -10.208 12.777 -15.146 1.00 0.00 H new ATOM 559 N HIS A 395 -5.196 13.241 -12.800 1.00 0.00 N ATOM 560 CA HIS A 395 -5.081 11.897 -12.225 1.00 0.00 C ATOM 561 C HIS A 395 -3.756 11.689 -11.496 1.00 0.00 C ATOM 562 O HIS A 395 -3.581 10.688 -10.819 1.00 0.00 O ATOM 563 CB HIS A 395 -5.301 10.797 -13.280 1.00 0.00 C ATOM 564 CG HIS A 395 -4.639 11.028 -14.607 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.329 11.451 -14.768 1.00 0.00 N ATOM 566 CD2 HIS A 395 -5.105 10.843 -15.875 1.00 0.00 C ATOM 567 CE1 HIS A 395 -3.030 11.502 -16.052 1.00 0.00 C ATOM 568 NE2 HIS A 395 -4.087 11.135 -16.745 1.00 0.00 N ATOM 0 H HIS A 395 -4.482 13.470 -13.491 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.878 11.816 -11.486 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.940 9.852 -12.874 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.373 10.685 -13.444 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -6.100 10.523 -16.146 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -2.077 11.796 -16.466 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -4.140 11.077 -17.762 1.00 0.00 H new ATOM 577 N PHE A 396 -2.847 12.654 -11.611 1.00 0.00 N ATOM 578 CA PHE A 396 -1.573 12.596 -10.873 1.00 0.00 C ATOM 579 C PHE A 396 -1.276 13.943 -10.210 1.00 0.00 C ATOM 580 O PHE A 396 -1.265 14.967 -10.885 1.00 0.00 O ATOM 581 CB PHE A 396 -0.391 12.186 -11.770 1.00 0.00 C ATOM 582 CG PHE A 396 -0.366 10.716 -12.155 1.00 0.00 C ATOM 583 CD1 PHE A 396 -1.170 10.222 -13.164 1.00 0.00 C ATOM 584 CD2 PHE A 396 0.468 9.825 -11.494 1.00 0.00 C ATOM 585 CE1 PHE A 396 -1.147 8.890 -13.512 1.00 0.00 C ATOM 586 CE2 PHE A 396 0.495 8.484 -11.831 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.316 8.015 -12.854 1.00 0.00 C ATOM 0 H PHE A 396 -2.960 13.480 -12.199 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.687 11.828 -10.108 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.418 12.785 -12.680 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.539 12.429 -11.256 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -1.830 10.895 -13.691 1.00 0.00 H new ATOM 0 HD2 PHE A 396 1.108 10.186 -10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -1.785 8.531 -14.306 1.00 0.00 H new ATOM 0 HE2 PHE A 396 1.145 7.805 -11.300 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.295 6.971 -13.131 1.00 0.00 H new ATOM 597 N SER A 397 -1.028 13.930 -8.905 1.00 0.00 N ATOM 598 CA SER A 397 -0.686 15.134 -8.166 1.00 0.00 C ATOM 599 C SER A 397 0.836 15.321 -8.175 1.00 0.00 C ATOM 600 O SER A 397 1.589 14.371 -8.369 1.00 0.00 O ATOM 601 CB SER A 397 -1.229 15.066 -6.745 1.00 0.00 C ATOM 602 OG SER A 397 -2.636 15.212 -6.716 1.00 0.00 O ATOM 0 H SER A 397 -1.059 13.086 -8.333 1.00 0.00 H new ATOM 0 HA SER A 397 -1.146 15.997 -8.647 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.953 14.113 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 397 -0.769 15.849 -6.142 1.00 0.00 H new ATOM 0 HG SER A 397 -2.864 16.148 -6.535 1.00 0.00 H new ATOM 608 N HIS A 398 1.264 16.560 -7.935 1.00 0.00 N ATOM 609 CA HIS A 398 2.682 16.931 -8.029 1.00 0.00 C ATOM 610 C HIS A 398 3.114 17.664 -6.770 1.00 0.00 C ATOM 611 O HIS A 398 2.280 18.216 -6.060 1.00 0.00 O ATOM 612 CB HIS A 398 2.897 17.804 -9.280 1.00 0.00 C ATOM 613 CG HIS A 398 2.640 17.072 -10.568 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.458 16.431 -10.872 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.482 16.794 -11.588 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.607 15.805 -12.022 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.815 15.987 -12.508 1.00 0.00 N ATOM 0 H HIS A 398 0.648 17.330 -7.673 1.00 0.00 H new ATOM 0 HA HIS A 398 3.293 16.033 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.240 18.672 -9.226 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.921 18.179 -9.281 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.611 16.440 -10.303 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.501 17.140 -11.676 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.837 15.219 -12.502 1.00 0.00 H new ATOM 625 N PRO A 399 4.428 17.683 -6.456 1.00 0.00 N ATOM 626 CA PRO A 399 4.955 18.371 -5.270 1.00 0.00 C ATOM 627 C PRO A 399 4.504 19.840 -5.260 1.00 0.00 C ATOM 628 O PRO A 399 4.819 20.616 -6.163 1.00 0.00 O ATOM 629 CB PRO A 399 6.478 18.243 -5.412 1.00 0.00 C ATOM 630 CG PRO A 399 6.709 17.886 -6.831 1.00 0.00 C ATOM 631 CD PRO A 399 5.517 17.076 -7.236 1.00 0.00 C ATOM 0 HA PRO A 399 4.598 17.947 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.977 19.177 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.872 17.477 -4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.806 18.778 -7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.630 17.315 -6.948 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.330 17.140 -8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.646 16.020 -6.997 1.00 0.00 H new ATOM 639 N GLY A 400 3.752 20.183 -4.231 1.00 0.00 N ATOM 640 CA GLY A 400 3.154 21.501 -4.115 1.00 0.00 C ATOM 641 C GLY A 400 1.643 21.446 -4.254 1.00 0.00 C ATOM 642 O GLY A 400 0.961 22.470 -4.152 1.00 0.00 O ATOM 0 H GLY A 400 3.539 19.558 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 400 3.415 21.936 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.566 22.157 -4.882 1.00 0.00 H new ATOM 646 N ASP A 401 1.116 20.235 -4.491 1.00 0.00 N ATOM 647 CA ASP A 401 -0.318 20.025 -4.664 1.00 0.00 C ATOM 648 C ASP A 401 -0.904 19.426 -3.377 1.00 0.00 C ATOM 649 O ASP A 401 -0.261 18.579 -2.736 1.00 0.00 O ATOM 650 CB ASP A 401 -0.563 19.094 -5.858 1.00 0.00 C ATOM 651 CG ASP A 401 -2.033 18.899 -6.185 1.00 0.00 C ATOM 652 OD1 ASP A 401 -2.580 19.686 -6.983 1.00 0.00 O ATOM 653 OD2 ASP A 401 -2.641 17.937 -5.682 1.00 0.00 O ATOM 0 H ASP A 401 1.672 19.383 -4.567 1.00 0.00 H new ATOM 0 HA ASP A 401 -0.810 20.977 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.055 19.498 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.114 18.123 -5.649 1.00 0.00 H new ATOM 658 N SER A 402 -2.096 19.844 -3.022 1.00 0.00 N ATOM 659 CA SER A 402 -2.703 19.434 -1.755 1.00 0.00 C ATOM 660 C SER A 402 -3.098 17.958 -1.758 1.00 0.00 C ATOM 661 O SER A 402 -3.241 17.341 -0.705 1.00 0.00 O ATOM 662 CB SER A 402 -3.918 20.311 -1.450 1.00 0.00 C ATOM 663 OG SER A 402 -4.391 20.105 -0.131 1.00 0.00 O ATOM 0 H SER A 402 -2.674 20.468 -3.585 1.00 0.00 H new ATOM 0 HA SER A 402 -1.956 19.566 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 402 -3.653 21.360 -1.583 1.00 0.00 H new ATOM 0 HB3 SER A 402 -4.714 20.091 -2.161 1.00 0.00 H new ATOM 0 HG SER A 402 -5.167 20.681 0.032 1.00 0.00 H new ATOM 669 N ASP A 403 -3.273 17.402 -2.947 1.00 0.00 N ATOM 670 CA ASP A 403 -3.714 16.001 -3.102 1.00 0.00 C ATOM 671 C ASP A 403 -2.506 15.089 -3.295 1.00 0.00 C ATOM 672 O ASP A 403 -2.647 13.877 -3.419 1.00 0.00 O ATOM 673 CB ASP A 403 -4.673 15.857 -4.300 1.00 0.00 C ATOM 674 CG ASP A 403 -6.015 16.573 -4.074 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.068 17.812 -4.282 1.00 0.00 O ATOM 676 OD2 ASP A 403 -7.011 15.922 -3.717 1.00 0.00 O ATOM 0 H ASP A 403 -3.119 17.891 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 403 -4.245 15.709 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.196 16.261 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.857 14.799 -4.488 1.00 0.00 H new ATOM 681 N TYR A 404 -1.329 15.695 -3.318 1.00 0.00 N ATOM 682 CA TYR A 404 -0.078 14.949 -3.488 1.00 0.00 C ATOM 683 C TYR A 404 0.223 14.134 -2.229 1.00 0.00 C ATOM 684 O TYR A 404 0.430 14.685 -1.141 1.00 0.00 O ATOM 685 CB TYR A 404 1.074 15.931 -3.782 1.00 0.00 C ATOM 686 CG TYR A 404 2.386 15.264 -4.146 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.500 14.453 -5.263 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.544 15.459 -3.382 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.686 13.868 -5.625 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.738 14.873 -3.722 1.00 0.00 C ATOM 691 CZ TYR A 404 4.804 14.085 -4.845 1.00 0.00 C ATOM 692 OH TYR A 404 6.003 13.521 -5.206 1.00 0.00 O ATOM 0 H TYR A 404 -1.207 16.703 -3.221 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.180 14.261 -4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.776 16.589 -4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.231 16.561 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.624 14.275 -5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.496 16.086 -2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.745 13.247 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.616 15.030 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 404 6.691 13.770 -4.554 1.00 0.00 H new ATOM 849 N ASP A 416 12.581 -1.486 -6.752 1.00 0.00 N ATOM 850 CA ASP A 416 12.551 -2.194 -5.480 1.00 0.00 C ATOM 851 C ASP A 416 13.811 -1.855 -4.693 1.00 0.00 C ATOM 852 O ASP A 416 13.775 -1.183 -3.662 1.00 0.00 O ATOM 853 CB ASP A 416 12.472 -3.717 -5.710 1.00 0.00 C ATOM 854 CG ASP A 416 12.440 -4.510 -4.424 1.00 0.00 C ATOM 855 OD1 ASP A 416 11.333 -4.730 -3.879 1.00 0.00 O ATOM 856 OD2 ASP A 416 13.518 -4.956 -3.970 1.00 0.00 O ATOM 0 HA ASP A 416 11.669 -1.885 -4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 416 11.579 -3.945 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 416 13.329 -4.034 -6.304 1.00 0.00 H new ATOM 861 N ASP A 417 14.938 -2.343 -5.197 1.00 0.00 N ATOM 862 CA ASP A 417 16.243 -2.068 -4.608 1.00 0.00 C ATOM 863 C ASP A 417 17.279 -1.740 -5.691 1.00 0.00 C ATOM 864 O ASP A 417 18.305 -1.123 -5.414 1.00 0.00 O ATOM 865 CB ASP A 417 16.707 -3.280 -3.774 1.00 0.00 C ATOM 866 CG ASP A 417 18.114 -3.125 -3.226 1.00 0.00 C ATOM 867 OD1 ASP A 417 18.316 -2.293 -2.313 1.00 0.00 O ATOM 868 OD2 ASP A 417 19.022 -3.846 -3.705 1.00 0.00 O ATOM 0 H ASP A 417 14.973 -2.939 -6.024 1.00 0.00 H new ATOM 0 HA ASP A 417 16.150 -1.199 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 417 16.015 -3.428 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 417 16.661 -4.177 -4.392 1.00 0.00 H new ATOM 873 N ARG A 418 16.980 -2.124 -6.933 1.00 0.00 N ATOM 874 CA ARG A 418 17.959 -2.075 -8.024 1.00 0.00 C ATOM 875 C ARG A 418 17.240 -2.279 -9.363 1.00 0.00 C ATOM 876 O ARG A 418 16.129 -2.796 -9.389 1.00 0.00 O ATOM 877 CB ARG A 418 19.011 -3.166 -7.805 1.00 0.00 C ATOM 878 CG ARG A 418 18.402 -4.529 -7.492 1.00 0.00 C ATOM 879 CD ARG A 418 19.461 -5.593 -7.284 1.00 0.00 C ATOM 880 NE ARG A 418 18.863 -6.899 -6.960 1.00 0.00 N ATOM 881 CZ ARG A 418 19.434 -8.056 -7.242 1.00 0.00 C ATOM 882 NH1 ARG A 418 20.663 -8.110 -7.739 1.00 0.00 N ATOM 883 NH2 ARG A 418 18.776 -9.189 -7.002 1.00 0.00 N ATOM 0 H ARG A 418 16.063 -2.474 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 418 18.455 -1.105 -8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 418 19.632 -3.248 -8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 418 19.667 -2.871 -6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 418 17.785 -4.453 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 418 17.744 -4.828 -8.308 1.00 0.00 H new ATOM 0 HD2 ARG A 418 20.068 -5.684 -8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 418 20.130 -5.289 -6.479 1.00 0.00 H new ATOM 0 HE ARG A 418 17.957 -6.911 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 418 21.183 -7.249 -7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 418 21.088 -9.013 -7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 418 17.838 -9.159 -6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 418 19.210 -10.086 -7.217 1.00 0.00 H new ATOM 897 N PRO A 419 17.867 -1.871 -10.482 1.00 0.00 N ATOM 898 CA PRO A 419 17.286 -2.084 -11.821 1.00 0.00 C ATOM 899 C PRO A 419 17.067 -3.567 -12.102 1.00 0.00 C ATOM 900 O PRO A 419 17.770 -4.419 -11.568 1.00 0.00 O ATOM 901 CB PRO A 419 18.330 -1.490 -12.776 1.00 0.00 C ATOM 902 CG PRO A 419 19.606 -1.429 -11.984 1.00 0.00 C ATOM 903 CD PRO A 419 19.171 -1.192 -10.557 1.00 0.00 C ATOM 0 HA PRO A 419 16.306 -1.620 -11.928 1.00 0.00 H new ATOM 0 HB2 PRO A 419 18.448 -2.111 -13.664 1.00 0.00 H new ATOM 0 HB3 PRO A 419 18.032 -0.499 -13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 419 20.172 -2.356 -12.075 1.00 0.00 H new ATOM 0 HG3 PRO A 419 20.252 -0.626 -12.338 1.00 0.00 H new ATOM 0 HD2 PRO A 419 19.883 -1.609 -9.845 1.00 0.00 H new ATOM 0 HD3 PRO A 419 19.084 -0.128 -10.335 1.00 0.00 H new ATOM 911 N GLU A 420 16.073 -3.881 -12.925 1.00 0.00 N ATOM 912 CA GLU A 420 15.785 -5.276 -13.258 1.00 0.00 C ATOM 913 C GLU A 420 16.709 -5.725 -14.374 1.00 0.00 C ATOM 914 O GLU A 420 17.225 -4.903 -15.129 1.00 0.00 O ATOM 915 CB GLU A 420 14.324 -5.459 -13.682 1.00 0.00 C ATOM 916 CG GLU A 420 13.775 -6.853 -13.356 1.00 0.00 C ATOM 917 CD GLU A 420 12.406 -7.114 -13.969 1.00 0.00 C ATOM 918 OE1 GLU A 420 12.335 -7.458 -15.172 1.00 0.00 O ATOM 919 OE2 GLU A 420 11.391 -6.972 -13.252 1.00 0.00 O ATOM 0 H GLU A 420 15.458 -3.200 -13.371 1.00 0.00 H new ATOM 0 HA GLU A 420 15.952 -5.885 -12.370 1.00 0.00 H new ATOM 0 HB2 GLU A 420 13.710 -4.708 -13.185 1.00 0.00 H new ATOM 0 HB3 GLU A 420 14.238 -5.282 -14.754 1.00 0.00 H new ATOM 0 HG2 GLU A 420 14.477 -7.606 -13.714 1.00 0.00 H new ATOM 0 HG3 GLU A 420 13.710 -6.967 -12.274 1.00 0.00 H new ATOM 926 N CYS A 421 16.904 -7.016 -14.461 1.00 0.00 N ATOM 927 CA CYS A 421 17.769 -7.608 -15.461 1.00 0.00 C ATOM 928 C CYS A 421 17.280 -7.242 -16.872 1.00 0.00 C ATOM 929 O CYS A 421 16.083 -7.318 -17.155 1.00 0.00 O ATOM 930 CB CYS A 421 17.791 -9.123 -15.271 1.00 0.00 C ATOM 931 SG CYS A 421 19.141 -9.976 -16.144 1.00 0.00 S ATOM 0 H CYS A 421 16.466 -7.694 -13.838 1.00 0.00 H new ATOM 0 HA CYS A 421 18.781 -7.220 -15.345 1.00 0.00 H new ATOM 0 HB2 CYS A 421 17.869 -9.341 -14.206 1.00 0.00 H new ATOM 0 HB3 CYS A 421 16.840 -9.533 -15.611 1.00 0.00 H new ATOM 0 HG CYS A 421 20.127 -10.182 -15.322 1.00 0.00 H new ATOM 936 N PRO A 422 18.192 -6.850 -17.774 1.00 0.00 N ATOM 937 CA PRO A 422 17.824 -6.438 -19.137 1.00 0.00 C ATOM 938 C PRO A 422 17.196 -7.579 -19.948 1.00 0.00 C ATOM 939 O PRO A 422 16.597 -7.340 -21.004 1.00 0.00 O ATOM 940 CB PRO A 422 19.171 -5.984 -19.746 1.00 0.00 C ATOM 941 CG PRO A 422 20.206 -6.686 -18.947 1.00 0.00 C ATOM 942 CD PRO A 422 19.650 -6.774 -17.551 1.00 0.00 C ATOM 0 HA PRO A 422 17.063 -5.658 -19.142 1.00 0.00 H new ATOM 0 HB2 PRO A 422 19.238 -6.251 -20.801 1.00 0.00 H new ATOM 0 HB3 PRO A 422 19.289 -4.902 -19.683 1.00 0.00 H new ATOM 0 HG2 PRO A 422 20.408 -7.678 -19.352 1.00 0.00 H new ATOM 0 HG3 PRO A 422 21.149 -6.139 -18.960 1.00 0.00 H new ATOM 0 HD2 PRO A 422 20.023 -7.652 -17.023 1.00 0.00 H new ATOM 0 HD3 PRO A 422 19.921 -5.904 -16.954 1.00 0.00 H new ATOM 950 N TYR A 423 17.314 -8.804 -19.449 1.00 0.00 N ATOM 951 CA TYR A 423 16.685 -9.972 -20.076 1.00 0.00 C ATOM 952 C TYR A 423 15.539 -10.491 -19.208 1.00 0.00 C ATOM 953 O TYR A 423 14.958 -11.548 -19.482 1.00 0.00 O ATOM 954 CB TYR A 423 17.722 -11.099 -20.298 1.00 0.00 C ATOM 955 CG TYR A 423 18.785 -10.787 -21.352 1.00 0.00 C ATOM 956 CD1 TYR A 423 19.947 -10.105 -21.019 1.00 0.00 C ATOM 957 CD2 TYR A 423 18.629 -11.193 -22.670 1.00 0.00 C ATOM 958 CE1 TYR A 423 20.913 -9.828 -21.956 1.00 0.00 C ATOM 959 CE2 TYR A 423 19.593 -10.933 -23.616 1.00 0.00 C ATOM 960 CZ TYR A 423 20.732 -10.249 -23.260 1.00 0.00 C ATOM 961 OH TYR A 423 21.708 -9.980 -24.205 1.00 0.00 O ATOM 0 H TYR A 423 17.843 -9.020 -18.604 1.00 0.00 H new ATOM 0 HA TYR A 423 16.289 -9.663 -21.043 1.00 0.00 H new ATOM 0 HB2 TYR A 423 18.219 -11.309 -19.351 1.00 0.00 H new ATOM 0 HB3 TYR A 423 17.195 -12.007 -20.590 1.00 0.00 H new ATOM 0 HD1 TYR A 423 20.096 -9.784 -19.998 1.00 0.00 H new ATOM 0 HD2 TYR A 423 17.733 -11.723 -22.958 1.00 0.00 H new ATOM 0 HE1 TYR A 423 21.805 -9.287 -21.676 1.00 0.00 H new ATOM 0 HE2 TYR A 423 19.456 -11.265 -24.635 1.00 0.00 H new ATOM 0 HH TYR A 423 21.432 -10.342 -25.073 1.00 0.00 H new ATOM 971 N GLY A 424 15.207 -9.726 -18.164 1.00 0.00 N ATOM 972 CA GLY A 424 14.176 -10.136 -17.219 1.00 0.00 C ATOM 973 C GLY A 424 14.568 -11.394 -16.474 1.00 0.00 C ATOM 974 O GLY A 424 15.761 -11.650 -16.271 1.00 0.00 O ATOM 0 H GLY A 424 15.637 -8.825 -17.956 1.00 0.00 H new ATOM 0 HA2 GLY A 424 13.996 -9.332 -16.506 1.00 0.00 H new ATOM 0 HA3 GLY A 424 13.240 -10.305 -17.752 1.00 0.00 H new ATOM 978 N PRO A 425 13.590 -12.201 -16.015 1.00 0.00 N ATOM 979 CA PRO A 425 13.859 -13.464 -15.342 1.00 0.00 C ATOM 980 C PRO A 425 14.282 -14.556 -16.323 1.00 0.00 C ATOM 981 O PRO A 425 14.633 -15.665 -15.920 1.00 0.00 O ATOM 982 CB PRO A 425 12.518 -13.805 -14.687 1.00 0.00 C ATOM 983 CG PRO A 425 11.506 -13.168 -15.570 1.00 0.00 C ATOM 984 CD PRO A 425 12.140 -11.919 -16.105 1.00 0.00 C ATOM 0 HA PRO A 425 14.682 -13.390 -14.631 1.00 0.00 H new ATOM 0 HB2 PRO A 425 12.369 -14.883 -14.624 1.00 0.00 H new ATOM 0 HB3 PRO A 425 12.461 -13.415 -13.671 1.00 0.00 H new ATOM 0 HG2 PRO A 425 11.222 -13.838 -16.381 1.00 0.00 H new ATOM 0 HG3 PRO A 425 10.597 -12.936 -15.015 1.00 0.00 H new ATOM 0 HD2 PRO A 425 11.833 -11.721 -17.132 1.00 0.00 H new ATOM 0 HD3 PRO A 425 11.864 -11.045 -15.516 1.00 0.00 H new ATOM 992 N SER A 426 14.249 -14.217 -17.614 1.00 0.00 N ATOM 993 CA SER A 426 14.707 -15.104 -18.676 1.00 0.00 C ATOM 994 C SER A 426 16.223 -14.980 -18.829 1.00 0.00 C ATOM 995 O SER A 426 16.846 -15.676 -19.638 1.00 0.00 O ATOM 996 CB SER A 426 14.000 -14.749 -19.986 1.00 0.00 C ATOM 997 OG SER A 426 12.587 -14.723 -19.804 1.00 0.00 O ATOM 0 H SER A 426 13.903 -13.318 -17.949 1.00 0.00 H new ATOM 0 HA SER A 426 14.466 -16.136 -18.421 1.00 0.00 H new ATOM 0 HB2 SER A 426 14.344 -13.777 -20.339 1.00 0.00 H new ATOM 0 HB3 SER A 426 14.260 -15.477 -20.754 1.00 0.00 H new ATOM 0 HG SER A 426 12.152 -14.493 -20.652 1.00 0.00 H new ATOM 1003 N CYS A 427 16.806 -14.083 -18.034 1.00 0.00 N ATOM 1004 CA CYS A 427 18.228 -13.812 -18.044 1.00 0.00 C ATOM 1005 C CYS A 427 19.042 -15.086 -17.829 1.00 0.00 C ATOM 1006 O CYS A 427 18.956 -15.718 -16.777 1.00 0.00 O ATOM 1007 CB CYS A 427 18.545 -12.797 -16.933 1.00 0.00 C ATOM 1008 SG CYS A 427 20.275 -12.250 -16.839 1.00 0.00 S ATOM 0 H CYS A 427 16.289 -13.520 -17.358 1.00 0.00 H new ATOM 0 HA CYS A 427 18.500 -13.407 -19.019 1.00 0.00 H new ATOM 0 HB2 CYS A 427 17.913 -11.920 -17.075 1.00 0.00 H new ATOM 0 HB3 CYS A 427 18.269 -13.237 -15.975 1.00 0.00 H new ATOM 0 HG CYS A 427 20.318 -11.016 -16.432 1.00 0.00 H new ATOM 1013 N TYR A 428 19.812 -15.454 -18.837 1.00 0.00 N ATOM 1014 CA TYR A 428 20.687 -16.627 -18.793 1.00 0.00 C ATOM 1015 C TYR A 428 22.145 -16.202 -18.774 1.00 0.00 C ATOM 1016 O TYR A 428 23.048 -16.991 -19.079 1.00 0.00 O ATOM 1017 CB TYR A 428 20.391 -17.521 -20.010 1.00 0.00 C ATOM 1018 CG TYR A 428 20.300 -16.762 -21.328 1.00 0.00 C ATOM 1019 CD1 TYR A 428 21.419 -16.473 -22.081 1.00 0.00 C ATOM 1020 CD2 TYR A 428 19.064 -16.327 -21.806 1.00 0.00 C ATOM 1021 CE1 TYR A 428 21.338 -15.771 -23.265 1.00 0.00 C ATOM 1022 CE2 TYR A 428 18.978 -15.631 -22.989 1.00 0.00 C ATOM 1023 CZ TYR A 428 20.094 -15.350 -23.717 1.00 0.00 C ATOM 1024 OH TYR A 428 20.009 -14.655 -24.891 1.00 0.00 O ATOM 0 H TYR A 428 19.853 -14.947 -19.721 1.00 0.00 H new ATOM 0 HA TYR A 428 20.495 -17.191 -17.880 1.00 0.00 H new ATOM 0 HB2 TYR A 428 21.172 -18.277 -20.091 1.00 0.00 H new ATOM 0 HB3 TYR A 428 19.452 -18.049 -19.841 1.00 0.00 H new ATOM 0 HD1 TYR A 428 22.386 -16.806 -21.733 1.00 0.00 H new ATOM 0 HD2 TYR A 428 18.167 -16.538 -21.243 1.00 0.00 H new ATOM 0 HE1 TYR A 428 22.230 -15.551 -23.833 1.00 0.00 H new ATOM 0 HE2 TYR A 428 18.013 -15.303 -23.345 1.00 0.00 H new ATOM 0 HH TYR A 428 19.072 -14.432 -25.072 1.00 0.00 H new ATOM 1034 N ARG A 429 22.370 -14.945 -18.402 1.00 0.00 N ATOM 1035 CA ARG A 429 23.703 -14.367 -18.321 1.00 0.00 C ATOM 1036 C ARG A 429 24.476 -14.984 -17.164 1.00 0.00 C ATOM 1037 O ARG A 429 24.234 -14.632 -15.984 1.00 0.00 O ATOM 1038 CB ARG A 429 23.626 -12.838 -18.187 1.00 0.00 C ATOM 1039 CG ARG A 429 22.939 -12.142 -19.358 1.00 0.00 C ATOM 1040 CD ARG A 429 23.836 -12.076 -20.599 1.00 0.00 C ATOM 1041 NE ARG A 429 24.012 -13.379 -21.276 1.00 0.00 N ATOM 1042 CZ ARG A 429 24.172 -13.507 -22.602 1.00 0.00 C ATOM 1043 NH1 ARG A 429 24.171 -12.419 -23.378 1.00 0.00 N ATOM 1044 NH2 ARG A 429 24.344 -14.706 -23.148 1.00 0.00 N ATOM 0 H ARG A 429 21.625 -14.296 -18.147 1.00 0.00 H new ATOM 0 HA ARG A 429 24.237 -14.591 -19.244 1.00 0.00 H new ATOM 0 HB2 ARG A 429 23.093 -12.591 -17.269 1.00 0.00 H new ATOM 0 HB3 ARG A 429 24.636 -12.442 -18.085 1.00 0.00 H new ATOM 0 HG2 ARG A 429 22.019 -12.672 -19.605 1.00 0.00 H new ATOM 0 HG3 ARG A 429 22.655 -11.132 -19.063 1.00 0.00 H new ATOM 0 HD2 ARG A 429 23.411 -11.364 -21.306 1.00 0.00 H new ATOM 0 HD3 ARG A 429 24.814 -11.692 -20.309 1.00 0.00 H new ATOM 0 HE ARG A 429 24.012 -14.224 -20.705 1.00 0.00 H new ATOM 0 HH11 ARG A 429 24.049 -11.496 -22.962 1.00 0.00 H new ATOM 0 HH12 ARG A 429 24.292 -12.512 -24.386 1.00 0.00 H new ATOM 0 HH21 ARG A 429 24.355 -15.538 -22.558 1.00 0.00 H new ATOM 0 HH22 ARG A 429 24.465 -14.794 -24.157 1.00 0.00 H new ATOM 1058 N LYS A 430 25.364 -15.904 -17.476 1.00 0.00 N ATOM 1059 CA LYS A 430 26.171 -16.606 -16.496 1.00 0.00 C ATOM 1060 C LYS A 430 27.280 -15.690 -15.971 1.00 0.00 C ATOM 1061 O LYS A 430 28.415 -15.708 -16.478 1.00 0.00 O ATOM 1062 CB LYS A 430 26.762 -17.899 -17.083 1.00 0.00 C ATOM 1063 CG LYS A 430 25.707 -18.916 -17.508 1.00 0.00 C ATOM 1064 CD LYS A 430 26.313 -20.155 -18.176 1.00 0.00 C ATOM 1065 CE LYS A 430 27.274 -20.896 -17.252 1.00 0.00 C ATOM 1066 NZ LYS A 430 28.648 -20.298 -17.232 1.00 0.00 N ATOM 0 H LYS A 430 25.550 -16.192 -18.437 1.00 0.00 H new ATOM 0 HA LYS A 430 25.527 -16.888 -15.663 1.00 0.00 H new ATOM 0 HB2 LYS A 430 27.380 -17.647 -17.945 1.00 0.00 H new ATOM 0 HB3 LYS A 430 27.419 -18.357 -16.343 1.00 0.00 H new ATOM 0 HG2 LYS A 430 25.133 -19.224 -16.634 1.00 0.00 H new ATOM 0 HG3 LYS A 430 25.009 -18.442 -18.198 1.00 0.00 H new ATOM 0 HD2 LYS A 430 25.513 -20.829 -18.481 1.00 0.00 H new ATOM 0 HD3 LYS A 430 26.841 -19.856 -19.082 1.00 0.00 H new ATOM 0 HE2 LYS A 430 26.869 -20.895 -16.240 1.00 0.00 H new ATOM 0 HE3 LYS A 430 27.342 -21.937 -17.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 29.345 -21.021 -17.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 28.692 -19.507 -17.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 28.862 -19.951 -16.275 1.00 0.00 H new ATOM 1080 N ASN A 431 26.933 -14.859 -15.001 1.00 0.00 N ATOM 1081 CA ASN A 431 27.886 -13.954 -14.372 1.00 0.00 C ATOM 1082 C ASN A 431 27.314 -13.442 -13.046 1.00 0.00 C ATOM 1083 O ASN A 431 26.343 -12.696 -13.036 1.00 0.00 O ATOM 1084 CB ASN A 431 28.199 -12.768 -15.301 1.00 0.00 C ATOM 1085 CG ASN A 431 29.239 -11.831 -14.717 1.00 0.00 C ATOM 1086 OD1 ASN A 431 28.823 -10.684 -14.192 1.00 0.00 O flip ATOM 1087 ND2 ASN A 431 30.436 -12.111 -14.790 1.00 0.00 N flip ATOM 0 H ASN A 431 25.986 -14.792 -14.627 1.00 0.00 H new ATOM 0 HA ASN A 431 28.811 -14.497 -14.181 1.00 0.00 H new ATOM 0 HB2 ASN A 431 28.553 -13.146 -16.260 1.00 0.00 H new ATOM 0 HB3 ASN A 431 27.282 -12.212 -15.496 1.00 0.00 H new ATOM 0 HD21 ASN A 431 30.728 -12.999 -15.198 1.00 0.00 H new ATOM 0 HD22 ASN A 431 31.135 -11.455 -14.442 1.00 0.00 H new ATOM 1094 N PRO A 432 27.925 -13.854 -11.923 1.00 0.00 N ATOM 1095 CA PRO A 432 27.385 -13.602 -10.563 1.00 0.00 C ATOM 1096 C PRO A 432 27.215 -12.120 -10.268 1.00 0.00 C ATOM 1097 O PRO A 432 26.197 -11.711 -9.689 1.00 0.00 O ATOM 1098 CB PRO A 432 28.412 -14.250 -9.617 1.00 0.00 C ATOM 1099 CG PRO A 432 29.660 -14.389 -10.437 1.00 0.00 C ATOM 1100 CD PRO A 432 29.205 -14.568 -11.868 1.00 0.00 C ATOM 0 HA PRO A 432 26.385 -14.020 -10.446 1.00 0.00 H new ATOM 0 HB2 PRO A 432 28.585 -13.630 -8.737 1.00 0.00 H new ATOM 0 HB3 PRO A 432 28.064 -15.219 -9.260 1.00 0.00 H new ATOM 0 HG2 PRO A 432 30.292 -13.507 -10.337 1.00 0.00 H new ATOM 0 HG3 PRO A 432 30.250 -15.243 -10.106 1.00 0.00 H new ATOM 0 HD2 PRO A 432 29.926 -14.151 -12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 432 29.086 -15.622 -12.121 1.00 0.00 H new ATOM 1108 N GLN A 433 28.179 -11.305 -10.672 1.00 0.00 N ATOM 1109 CA GLN A 433 28.134 -9.865 -10.440 1.00 0.00 C ATOM 1110 C GLN A 433 26.873 -9.270 -11.051 1.00 0.00 C ATOM 1111 O GLN A 433 26.227 -8.422 -10.460 1.00 0.00 O ATOM 1112 CB GLN A 433 29.384 -9.178 -11.019 1.00 0.00 C ATOM 1113 CG GLN A 433 29.462 -7.689 -10.718 1.00 0.00 C ATOM 1114 CD GLN A 433 29.434 -7.386 -9.235 1.00 0.00 C ATOM 1115 OE1 GLN A 433 30.478 -7.356 -8.570 1.00 0.00 O ATOM 1116 NE2 GLN A 433 28.235 -7.177 -8.694 1.00 0.00 N ATOM 0 H GLN A 433 29.012 -11.620 -11.168 1.00 0.00 H new ATOM 0 HA GLN A 433 28.117 -9.693 -9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 433 30.273 -9.667 -10.620 1.00 0.00 H new ATOM 0 HB3 GLN A 433 29.399 -9.322 -12.099 1.00 0.00 H new ATOM 0 HG2 GLN A 433 30.377 -7.284 -11.149 1.00 0.00 H new ATOM 0 HG3 GLN A 433 28.629 -7.181 -11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 433 27.399 -7.211 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 433 28.153 -6.983 -7.696 1.00 0.00 H new ATOM 1125 N HIS A 434 26.507 -9.766 -12.226 1.00 0.00 N ATOM 1126 CA HIS A 434 25.305 -9.325 -12.908 1.00 0.00 C ATOM 1127 C HIS A 434 24.089 -9.580 -12.035 1.00 0.00 C ATOM 1128 O HIS A 434 23.275 -8.693 -11.787 1.00 0.00 O ATOM 1129 CB HIS A 434 25.140 -10.041 -14.259 1.00 0.00 C ATOM 1130 CG HIS A 434 23.731 -9.982 -14.759 1.00 0.00 C ATOM 1131 ND1 HIS A 434 23.093 -8.799 -15.078 1.00 0.00 N ATOM 1132 CD2 HIS A 434 22.804 -10.962 -14.900 1.00 0.00 C ATOM 1133 CE1 HIS A 434 21.836 -9.090 -15.385 1.00 0.00 C ATOM 1134 NE2 HIS A 434 21.589 -10.391 -15.297 1.00 0.00 N ATOM 0 H HIS A 434 27.034 -10.481 -12.728 1.00 0.00 H new ATOM 0 HA HIS A 434 25.396 -8.256 -13.098 1.00 0.00 H new ATOM 0 HB2 HIS A 434 25.804 -9.586 -14.994 1.00 0.00 H new ATOM 0 HB3 HIS A 434 25.444 -11.083 -14.156 1.00 0.00 H new ATOM 0 HD1 HIS A 434 23.513 -7.869 -15.078 1.00 0.00 H new ATOM 0 HD2 HIS A 434 22.976 -12.015 -14.733 1.00 0.00 H new ATOM 0 HE1 HIS A 434 21.100 -8.354 -15.673 1.00 0.00 H new ATOM 1142 N LYS A 435 23.973 -10.810 -11.578 1.00 0.00 N ATOM 1143 CA LYS A 435 22.857 -11.244 -10.724 1.00 0.00 C ATOM 1144 C LYS A 435 22.832 -10.458 -9.416 1.00 0.00 C ATOM 1145 O LYS A 435 21.801 -10.369 -8.754 1.00 0.00 O ATOM 1146 CB LYS A 435 22.997 -12.747 -10.453 1.00 0.00 C ATOM 1147 CG LYS A 435 22.991 -13.588 -11.719 1.00 0.00 C ATOM 1148 CD LYS A 435 23.556 -14.995 -11.503 1.00 0.00 C ATOM 1149 CE LYS A 435 22.836 -15.748 -10.400 1.00 0.00 C ATOM 1150 NZ LYS A 435 23.456 -17.070 -10.135 1.00 0.00 N ATOM 0 H LYS A 435 24.646 -11.549 -11.782 1.00 0.00 H new ATOM 0 HA LYS A 435 21.914 -11.052 -11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 435 23.925 -12.927 -9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 435 22.181 -13.070 -9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 435 21.970 -13.665 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 435 23.574 -13.082 -12.488 1.00 0.00 H new ATOM 0 HD2 LYS A 435 23.481 -15.560 -12.432 1.00 0.00 H new ATOM 0 HD3 LYS A 435 24.616 -14.924 -11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 435 22.847 -15.153 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 435 21.791 -15.886 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 22.934 -17.552 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 23.423 -17.648 -10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 24.446 -16.937 -9.845 1.00 0.00 H new ATOM 1164 N ILE A 436 23.965 -9.860 -9.076 1.00 0.00 N ATOM 1165 CA ILE A 436 24.101 -9.078 -7.846 1.00 0.00 C ATOM 1166 C ILE A 436 23.611 -7.653 -8.069 1.00 0.00 C ATOM 1167 O ILE A 436 23.013 -7.049 -7.179 1.00 0.00 O ATOM 1168 CB ILE A 436 25.570 -9.083 -7.365 1.00 0.00 C ATOM 1169 CG1 ILE A 436 25.964 -10.497 -6.897 1.00 0.00 C ATOM 1170 CG2 ILE A 436 25.818 -8.065 -6.262 1.00 0.00 C ATOM 1171 CD1 ILE A 436 27.447 -10.665 -6.647 1.00 0.00 C ATOM 0 H ILE A 436 24.815 -9.900 -9.639 1.00 0.00 H new ATOM 0 HA ILE A 436 23.486 -9.535 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 436 26.196 -8.794 -8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 436 25.422 -10.731 -5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 436 25.647 -11.220 -7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 436 26.864 -8.106 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 436 25.586 -7.066 -6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 436 25.182 -8.293 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 436 27.648 -11.685 -6.321 1.00 0.00 H new ATOM 0 HD12 ILE A 436 27.996 -10.464 -7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 436 27.767 -9.967 -5.873 1.00 0.00 H new ATOM 1183 N GLU A 437 23.844 -7.126 -9.267 1.00 0.00 N ATOM 1184 CA GLU A 437 23.496 -5.728 -9.580 1.00 0.00 C ATOM 1185 C GLU A 437 22.040 -5.601 -10.026 1.00 0.00 C ATOM 1186 O GLU A 437 21.308 -4.763 -9.519 1.00 0.00 O ATOM 1187 CB GLU A 437 24.415 -5.199 -10.687 1.00 0.00 C ATOM 1188 CG GLU A 437 25.891 -5.465 -10.447 1.00 0.00 C ATOM 1189 CD GLU A 437 26.786 -4.914 -11.527 1.00 0.00 C ATOM 1190 OE1 GLU A 437 27.128 -3.713 -11.494 1.00 0.00 O ATOM 1191 OE2 GLU A 437 27.142 -5.676 -12.456 1.00 0.00 O ATOM 0 H GLU A 437 24.270 -7.637 -10.040 1.00 0.00 H new ATOM 0 HA GLU A 437 23.629 -5.139 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 437 24.124 -5.654 -11.634 1.00 0.00 H new ATOM 0 HB3 GLU A 437 24.262 -4.125 -10.789 1.00 0.00 H new ATOM 0 HG2 GLU A 437 26.179 -5.029 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 437 26.050 -6.540 -10.368 1.00 0.00 H new ATOM 1198 N TYR A 438 21.653 -6.418 -10.981 1.00 0.00 N ATOM 1199 CA TYR A 438 20.304 -6.392 -11.531 1.00 0.00 C ATOM 1200 C TYR A 438 19.433 -7.464 -10.896 1.00 0.00 C ATOM 1201 O TYR A 438 19.882 -8.595 -10.709 1.00 0.00 O ATOM 1202 CB TYR A 438 20.348 -6.607 -13.055 1.00 0.00 C ATOM 1203 CG TYR A 438 21.029 -5.492 -13.819 1.00 0.00 C ATOM 1204 CD1 TYR A 438 22.415 -5.387 -13.856 1.00 0.00 C ATOM 1205 CD2 TYR A 438 20.288 -4.546 -14.518 1.00 0.00 C ATOM 1206 CE1 TYR A 438 23.038 -4.371 -14.568 1.00 0.00 C ATOM 1207 CE2 TYR A 438 20.900 -3.530 -15.220 1.00 0.00 C ATOM 1208 CZ TYR A 438 22.276 -3.456 -15.241 1.00 0.00 C ATOM 1209 OH TYR A 438 22.889 -2.454 -15.953 1.00 0.00 O ATOM 0 H TYR A 438 22.260 -7.121 -11.402 1.00 0.00 H new ATOM 0 HA TYR A 438 19.872 -5.416 -11.311 1.00 0.00 H new ATOM 0 HB2 TYR A 438 20.865 -7.544 -13.264 1.00 0.00 H new ATOM 0 HB3 TYR A 438 19.329 -6.716 -13.425 1.00 0.00 H new ATOM 0 HD1 TYR A 438 23.017 -6.108 -13.322 1.00 0.00 H new ATOM 0 HD2 TYR A 438 19.210 -4.609 -14.511 1.00 0.00 H new ATOM 0 HE1 TYR A 438 24.116 -4.304 -14.590 1.00 0.00 H new ATOM 0 HE2 TYR A 438 20.307 -2.799 -15.749 1.00 0.00 H new ATOM 0 HH TYR A 438 22.208 -1.888 -16.374 1.00 0.00 H new ATOM 1219 N ARG A 439 18.192 -7.119 -10.577 1.00 0.00 N ATOM 1220 CA ARG A 439 17.264 -8.043 -9.945 1.00 0.00 C ATOM 1221 C ARG A 439 16.543 -8.873 -10.991 1.00 0.00 C ATOM 1222 O ARG A 439 16.282 -8.395 -12.090 1.00 0.00 O ATOM 1223 CB ARG A 439 16.253 -7.294 -9.046 1.00 0.00 C ATOM 1224 CG ARG A 439 15.232 -6.418 -9.786 1.00 0.00 C ATOM 1225 CD ARG A 439 14.499 -5.499 -8.811 1.00 0.00 C ATOM 1226 NE ARG A 439 13.175 -5.080 -9.280 1.00 0.00 N ATOM 1227 CZ ARG A 439 12.954 -4.238 -10.298 1.00 0.00 C ATOM 1228 NH1 ARG A 439 13.966 -3.661 -10.921 1.00 0.00 N ATOM 1229 NH2 ARG A 439 11.712 -3.966 -10.650 1.00 0.00 N ATOM 0 H ARG A 439 17.803 -6.192 -10.749 1.00 0.00 H new ATOM 0 HA ARG A 439 17.840 -8.715 -9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 439 15.711 -8.028 -8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 439 16.809 -6.665 -8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 439 15.740 -5.821 -10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 439 14.513 -7.050 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 439 14.391 -6.010 -7.855 1.00 0.00 H new ATOM 0 HD3 ARG A 439 15.109 -4.613 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 439 12.361 -5.458 -8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 439 14.923 -3.856 -10.628 1.00 0.00 H new ATOM 0 HH12 ARG A 439 13.790 -3.021 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 439 10.934 -4.395 -10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 439 11.530 -3.327 -11.423 1.00 0.00 H new ATOM 1243 N HIS A 440 16.247 -10.124 -10.650 1.00 0.00 N ATOM 1244 CA HIS A 440 15.566 -11.041 -11.566 1.00 0.00 C ATOM 1245 C HIS A 440 14.230 -11.465 -10.974 1.00 0.00 C ATOM 1246 O HIS A 440 14.128 -12.477 -10.283 1.00 0.00 O ATOM 1247 CB HIS A 440 16.461 -12.264 -11.842 1.00 0.00 C ATOM 1248 CG HIS A 440 17.755 -11.909 -12.515 1.00 0.00 C ATOM 1249 ND1 HIS A 440 18.841 -11.345 -11.857 1.00 0.00 N ATOM 1250 CD2 HIS A 440 18.132 -12.024 -13.805 1.00 0.00 C ATOM 1251 CE1 HIS A 440 19.809 -11.148 -12.751 1.00 0.00 C ATOM 1252 NE2 HIS A 440 19.442 -11.540 -13.956 1.00 0.00 N ATOM 0 H HIS A 440 16.469 -10.530 -9.741 1.00 0.00 H new ATOM 0 HA HIS A 440 15.376 -10.535 -12.513 1.00 0.00 H new ATOM 0 HB2 HIS A 440 16.675 -12.769 -10.900 1.00 0.00 H new ATOM 0 HB3 HIS A 440 15.916 -12.972 -12.467 1.00 0.00 H new ATOM 0 HD2 HIS A 440 17.521 -12.426 -14.599 1.00 0.00 H new ATOM 0 HE1 HIS A 440 20.773 -10.721 -12.518 1.00 0.00 H new ATOM 0 HE2 HIS A 440 19.992 -11.500 -14.814 1.00 0.00 H new ATOM 1260 N ASN A 441 13.204 -10.640 -11.223 1.00 0.00 N ATOM 1261 CA ASN A 441 11.882 -10.865 -10.661 1.00 0.00 C ATOM 1262 C ASN A 441 11.169 -11.961 -11.434 1.00 0.00 C ATOM 1263 O ASN A 441 10.929 -11.820 -12.629 1.00 0.00 O ATOM 1264 CB ASN A 441 11.075 -9.556 -10.710 1.00 0.00 C ATOM 1265 CG ASN A 441 11.713 -8.433 -9.909 1.00 0.00 C ATOM 1266 OD1 ASN A 441 11.635 -7.222 -10.424 1.00 0.00 O flip ATOM 1267 ND2 ASN A 441 12.293 -8.659 -8.843 1.00 0.00 N flip ATOM 0 H ASN A 441 13.273 -9.811 -11.813 1.00 0.00 H new ATOM 0 HA ASN A 441 11.977 -11.183 -9.623 1.00 0.00 H new ATOM 0 HB2 ASN A 441 10.969 -9.240 -11.748 1.00 0.00 H new ATOM 0 HB3 ASN A 441 10.070 -9.741 -10.329 1.00 0.00 H new ATOM 0 HD21 ASN A 441 12.333 -9.610 -8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 441 12.732 -7.895 -8.330 1.00 0.00 H new ATOM 1274 N THR A 442 10.852 -13.047 -10.750 1.00 0.00 N ATOM 1275 CA THR A 442 10.285 -14.219 -11.403 1.00 0.00 C ATOM 1276 C THR A 442 8.971 -14.631 -10.739 1.00 0.00 C ATOM 1277 O THR A 442 8.750 -14.328 -9.562 1.00 0.00 O ATOM 1278 CB THR A 442 11.282 -15.408 -11.342 1.00 0.00 C ATOM 1279 OG1 THR A 442 12.618 -14.925 -11.517 1.00 0.00 O ATOM 1280 CG2 THR A 442 10.972 -16.450 -12.420 1.00 0.00 C ATOM 0 H THR A 442 10.977 -13.144 -9.742 1.00 0.00 H new ATOM 0 HA THR A 442 10.091 -13.959 -12.444 1.00 0.00 H new ATOM 0 HB THR A 442 11.182 -15.884 -10.367 1.00 0.00 H new ATOM 0 HG1 THR A 442 13.246 -15.677 -11.476 1.00 0.00 H new ATOM 0 HG21 THR A 442 11.688 -17.269 -12.351 1.00 0.00 H new ATOM 0 HG22 THR A 442 9.963 -16.836 -12.274 1.00 0.00 H new ATOM 0 HG23 THR A 442 11.044 -15.988 -13.404 1.00 0.00 H new ATOM 1288 N LEU A 443 8.113 -15.319 -11.485 1.00 0.00 N ATOM 1289 CA LEU A 443 6.846 -15.816 -10.957 1.00 0.00 C ATOM 1290 C LEU A 443 6.910 -17.346 -10.771 1.00 0.00 C ATOM 1291 O LEU A 443 7.673 -18.022 -11.450 1.00 0.00 O ATOM 1292 CB LEU A 443 5.670 -15.397 -11.874 1.00 0.00 C ATOM 1293 CG LEU A 443 5.894 -15.493 -13.399 1.00 0.00 C ATOM 1294 CD1 LEU A 443 6.018 -16.945 -13.866 1.00 0.00 C ATOM 1295 CD2 LEU A 443 4.769 -14.790 -14.151 1.00 0.00 C ATOM 0 H LEU A 443 8.274 -15.547 -12.466 1.00 0.00 H new ATOM 0 HA LEU A 443 6.670 -15.369 -9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 443 4.808 -16.013 -11.620 1.00 0.00 H new ATOM 0 HB3 LEU A 443 5.407 -14.367 -11.636 1.00 0.00 H new ATOM 0 HG LEU A 443 6.836 -14.993 -13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 443 6.175 -16.968 -14.944 1.00 0.00 H new ATOM 0 HD12 LEU A 443 6.864 -17.417 -13.366 1.00 0.00 H new ATOM 0 HD13 LEU A 443 5.104 -17.486 -13.620 1.00 0.00 H new ATOM 0 HD21 LEU A 443 4.944 -14.868 -15.224 1.00 0.00 H new ATOM 0 HD22 LEU A 443 3.817 -15.260 -13.904 1.00 0.00 H new ATOM 0 HD23 LEU A 443 4.741 -13.739 -13.864 1.00 0.00 H new ATOM 1307 N PRO A 444 6.102 -17.899 -9.836 1.00 0.00 N ATOM 1308 CA PRO A 444 6.167 -19.331 -9.490 1.00 0.00 C ATOM 1309 C PRO A 444 5.769 -20.248 -10.642 1.00 0.00 C ATOM 1310 O PRO A 444 5.978 -21.470 -10.555 1.00 0.00 O ATOM 1311 CB PRO A 444 5.168 -19.453 -8.312 1.00 0.00 C ATOM 1312 CG PRO A 444 4.236 -18.297 -8.470 1.00 0.00 C ATOM 1313 CD PRO A 444 5.061 -17.181 -9.066 1.00 0.00 C ATOM 0 HA PRO A 444 7.182 -19.642 -9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 444 4.630 -20.400 -8.348 1.00 0.00 H new ATOM 0 HB3 PRO A 444 5.684 -19.415 -7.352 1.00 0.00 H new ATOM 0 HG2 PRO A 444 3.400 -18.555 -9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 444 3.814 -18.001 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 444 4.461 -16.535 -9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 444 5.497 -16.547 -8.294 1.00 0.00 H new ATOM 1321 N VAL A 445 5.187 -19.667 -11.702 1.00 0.00 N ATOM 1322 CA VAL A 445 4.837 -20.376 -12.948 1.00 0.00 C ATOM 1323 C VAL A 445 4.023 -21.663 -12.682 1.00 0.00 C ATOM 1324 O VAL A 445 4.046 -22.609 -13.472 1.00 0.00 O ATOM 1325 CB VAL A 445 6.105 -20.689 -13.817 1.00 0.00 C ATOM 1326 CG1 VAL A 445 6.936 -21.837 -13.251 1.00 0.00 C ATOM 1327 CG2 VAL A 445 5.713 -20.961 -15.273 1.00 0.00 C ATOM 0 H VAL A 445 4.942 -18.677 -11.721 1.00 0.00 H new ATOM 0 HA VAL A 445 4.200 -19.698 -13.516 1.00 0.00 H new ATOM 0 HB VAL A 445 6.737 -19.801 -13.786 1.00 0.00 H new ATOM 0 HG11 VAL A 445 7.801 -22.011 -13.892 1.00 0.00 H new ATOM 0 HG12 VAL A 445 7.274 -21.581 -12.247 1.00 0.00 H new ATOM 0 HG13 VAL A 445 6.328 -22.741 -13.210 1.00 0.00 H new ATOM 0 HG21 VAL A 445 6.608 -21.176 -15.857 1.00 0.00 H new ATOM 0 HG22 VAL A 445 5.039 -21.817 -15.315 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.213 -20.085 -15.685 1.00 0.00 H new ATOM 1337 N ARG A 446 3.279 -21.638 -11.581 1.00 0.00 N ATOM 1338 CA ARG A 446 2.458 -22.798 -11.195 1.00 0.00 C ATOM 1339 C ARG A 446 1.107 -22.734 -11.900 1.00 0.00 C ATOM 1340 O ARG A 446 0.531 -21.661 -12.102 1.00 0.00 O ATOM 1341 CB ARG A 446 2.243 -22.832 -9.681 1.00 0.00 C ATOM 1342 CG ARG A 446 3.531 -22.993 -8.866 1.00 0.00 C ATOM 1343 CD ARG A 446 4.295 -24.248 -9.267 1.00 0.00 C ATOM 1344 NE ARG A 446 5.552 -24.357 -8.527 1.00 0.00 N ATOM 1345 CZ ARG A 446 6.486 -25.288 -8.738 1.00 0.00 C ATOM 1346 NH1 ARG A 446 6.325 -26.249 -9.658 1.00 0.00 N ATOM 1347 NH2 ARG A 446 7.603 -25.277 -8.026 1.00 0.00 N ATOM 0 H ARG A 446 3.222 -20.844 -10.944 1.00 0.00 H new ATOM 0 HA ARG A 446 2.984 -23.705 -11.493 1.00 0.00 H new ATOM 0 HB2 ARG A 446 1.746 -21.911 -9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 446 1.569 -23.654 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 446 4.165 -22.118 -9.010 1.00 0.00 H new ATOM 0 HG3 ARG A 446 3.287 -23.038 -7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 446 3.680 -25.128 -9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 446 4.500 -24.227 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 446 5.729 -23.670 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 446 5.473 -26.282 -10.218 1.00 0.00 H new ATOM 0 HH12 ARG A 446 7.055 -26.948 -9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 446 7.749 -24.558 -7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 446 8.317 -25.988 -8.186 1.00 0.00 H new ATOM 1361 N ASN A 447 0.604 -23.908 -12.248 1.00 0.00 N ATOM 1362 CA ASN A 447 -0.679 -24.042 -12.929 1.00 0.00 C ATOM 1363 C ASN A 447 -1.808 -24.033 -11.896 1.00 0.00 C ATOM 1364 O ASN A 447 -2.211 -25.093 -11.410 1.00 0.00 O ATOM 1365 CB ASN A 447 -0.708 -25.323 -13.784 1.00 0.00 C ATOM 1366 CG ASN A 447 0.158 -25.205 -15.036 1.00 0.00 C ATOM 1367 OD1 ASN A 447 0.329 -24.113 -15.561 1.00 0.00 O ATOM 1368 ND2 ASN A 447 0.681 -26.320 -15.500 1.00 0.00 N ATOM 0 H ASN A 447 1.072 -24.796 -12.067 1.00 0.00 H new ATOM 0 HA ASN A 447 -0.820 -23.198 -13.604 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -0.363 -26.165 -13.184 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -1.736 -25.539 -14.075 1.00 0.00 H new ATOM 0 HD21 ASN A 447 1.262 -26.301 -16.338 1.00 0.00 H new ATOM 0 HD22 ASN A 447 0.505 -27.204 -15.022 1.00 0.00 H new ATOM 1375 N VAL A 448 -2.244 -22.854 -11.532 1.00 0.00 N ATOM 1376 CA VAL A 448 -3.357 -22.662 -10.592 1.00 0.00 C ATOM 1377 C VAL A 448 -4.615 -22.268 -11.343 1.00 0.00 C ATOM 1378 O VAL A 448 -4.803 -22.586 -12.523 1.00 0.00 O ATOM 1379 CB VAL A 448 -3.019 -21.640 -9.515 1.00 0.00 C ATOM 1380 CG1 VAL A 448 -1.779 -22.050 -8.721 1.00 0.00 C ATOM 1381 CG2 VAL A 448 -2.843 -20.226 -10.098 1.00 0.00 C ATOM 0 H VAL A 448 -1.843 -21.981 -11.875 1.00 0.00 H new ATOM 0 HA VAL A 448 -3.535 -23.611 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 448 -3.868 -21.615 -8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -1.568 -21.297 -7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -1.957 -23.011 -8.239 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -0.927 -22.134 -9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -2.603 -19.529 -9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -2.034 -20.232 -10.828 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -3.768 -19.915 -10.584 1.00 0.00 H new