USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=22 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 174:sc= -18! USER MOD Set 1.2: A 427 CYS SG : rot 135:sc= -8.74! USER MOD Set 1.3: A 434 HIS : no HD1:sc= -8.62! C(o=-45!,f=-82!) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -9.9! C(o=-45!,f=-83!) USER MOD Set 2.1: A 394 GLN : amide:sc= -2.22! X(o=-9.5!,f=-9.6) USER MOD Set 2.2: A 395 HIS : no HD1:sc= -7.26! C(o=-9.5!,f=-9.6!) USER MOD Set 3.1: A 380 MET CE :methyl 143:sc= -0.386 (180deg=-2.53!) USER MOD Set 3.2: A 381 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 379 CYS SG : rot 100:sc= -8.81! USER MOD Set 4.2: A 385 CYS SG : rot -135:sc= -5.61! USER MOD Set 4.3: A 392 HIS : no HD1:sc= -5.36! C(o=-31!,f=-64!) USER MOD Set 4.4: A 398 HIS : no HD1:sc= -10.9! C(o=-31!,f=-64!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0.646) USER MOD Single : A 389 ASN : amide:sc= -2.05! K(o=-2.1!,f=-3) USER MOD Single : A 397 SER OG : rot -159:sc= -0.089 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= 0.165 USER MOD Single : A 426 SER OG : rot -42:sc= 0.454 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ -169:sc=-0.00564 (180deg=-0.145) USER MOD Single : A 431 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.2!) USER MOD Single : A 433 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.03) USER MOD Single : A 435 LYS NZ :NH3+ 163:sc= -0.0825 (180deg=-0.42) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN :FLIP amide:sc= -0.446 F(o=-1.7,f=-0.45) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= -1.77! C(o=-1.8!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -6.165 12.531 -6.838 1.00 0.00 N ATOM 257 CA ARG A 376 -5.026 12.143 -7.665 1.00 0.00 C ATOM 258 C ARG A 376 -4.074 11.245 -6.896 1.00 0.00 C ATOM 259 O ARG A 376 -4.096 11.186 -5.684 1.00 0.00 O ATOM 260 CB ARG A 376 -4.259 13.370 -8.194 1.00 0.00 C ATOM 261 CG ARG A 376 -4.983 14.152 -9.292 1.00 0.00 C ATOM 262 CD ARG A 376 -6.035 15.106 -8.746 1.00 0.00 C ATOM 263 NE ARG A 376 -5.453 16.117 -7.882 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.131 16.870 -7.020 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.457 16.766 -6.900 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.481 17.743 -6.260 1.00 0.00 N ATOM 0 HA ARG A 376 -5.428 11.594 -8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.058 14.043 -7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.294 13.040 -8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.252 14.718 -9.870 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.458 13.450 -9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.551 15.590 -9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.784 14.541 -8.191 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.445 16.261 -7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.970 16.099 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.956 17.354 -6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.468 17.833 -6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -5.994 18.324 -5.597 1.00 0.00 H new ATOM 280 N THR A 377 -3.227 10.554 -7.651 1.00 0.00 N ATOM 281 CA THR A 377 -2.214 9.697 -7.062 1.00 0.00 C ATOM 282 C THR A 377 -0.840 10.225 -7.443 1.00 0.00 C ATOM 283 O THR A 377 -0.706 10.928 -8.450 1.00 0.00 O ATOM 284 CB THR A 377 -2.392 8.225 -7.493 1.00 0.00 C ATOM 285 OG1 THR A 377 -1.496 7.373 -6.771 1.00 0.00 O ATOM 286 CG2 THR A 377 -2.176 8.042 -8.992 1.00 0.00 C ATOM 0 H THR A 377 -3.225 10.573 -8.671 1.00 0.00 H new ATOM 0 HA THR A 377 -2.319 9.715 -5.977 1.00 0.00 H new ATOM 0 HB THR A 377 -3.420 7.947 -7.261 1.00 0.00 H new ATOM 0 HG1 THR A 377 -1.625 6.445 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 377 -2.310 6.992 -9.254 1.00 0.00 H new ATOM 0 HG22 THR A 377 -2.897 8.648 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 377 -1.165 8.355 -9.255 1.00 0.00 H new ATOM 294 N SER A 378 0.169 9.921 -6.639 1.00 0.00 N ATOM 295 CA SER A 378 1.496 10.521 -6.778 1.00 0.00 C ATOM 296 C SER A 378 2.117 10.285 -8.163 1.00 0.00 C ATOM 297 O SER A 378 2.250 9.149 -8.606 1.00 0.00 O ATOM 298 CB SER A 378 2.416 9.958 -5.688 1.00 0.00 C ATOM 299 OG SER A 378 1.803 10.097 -4.391 1.00 0.00 O ATOM 0 H SER A 378 0.095 9.253 -5.872 1.00 0.00 H new ATOM 0 HA SER A 378 1.383 11.599 -6.667 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.626 8.907 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 378 3.372 10.482 -5.704 1.00 0.00 H new ATOM 0 HG SER A 378 2.401 9.732 -3.706 1.00 0.00 H new ATOM 305 N CYS A 379 2.433 11.404 -8.839 1.00 0.00 N ATOM 306 CA CYS A 379 3.162 11.388 -10.102 1.00 0.00 C ATOM 307 C CYS A 379 4.540 10.746 -9.878 1.00 0.00 C ATOM 308 O CYS A 379 5.349 11.270 -9.129 1.00 0.00 O ATOM 309 CB CYS A 379 3.331 12.831 -10.638 1.00 0.00 C ATOM 310 SG CYS A 379 3.828 13.004 -12.377 1.00 0.00 S ATOM 0 H CYS A 379 2.186 12.340 -8.518 1.00 0.00 H new ATOM 0 HA CYS A 379 2.603 10.808 -10.837 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.387 13.358 -10.500 1.00 0.00 H new ATOM 0 HB3 CYS A 379 4.072 13.339 -10.020 1.00 0.00 H new ATOM 0 HG CYS A 379 2.783 13.270 -13.103 1.00 0.00 H new ATOM 315 N MET A 380 4.786 9.615 -10.530 1.00 0.00 N ATOM 316 CA MET A 380 6.026 8.850 -10.354 1.00 0.00 C ATOM 317 C MET A 380 7.256 9.746 -10.512 1.00 0.00 C ATOM 318 O MET A 380 8.235 9.631 -9.744 1.00 0.00 O ATOM 319 CB MET A 380 6.104 7.695 -11.349 1.00 0.00 C ATOM 320 CG MET A 380 7.450 7.004 -11.395 1.00 0.00 C ATOM 321 SD MET A 380 7.473 5.518 -12.464 1.00 0.00 S ATOM 322 CE MET A 380 6.777 6.176 -13.969 1.00 0.00 C ATOM 0 H MET A 380 4.135 9.199 -11.196 1.00 0.00 H new ATOM 0 HA MET A 380 6.014 8.445 -9.342 1.00 0.00 H new ATOM 0 HB2 MET A 380 5.340 6.960 -11.096 1.00 0.00 H new ATOM 0 HB3 MET A 380 5.867 8.071 -12.344 1.00 0.00 H new ATOM 0 HG2 MET A 380 8.200 7.710 -11.752 1.00 0.00 H new ATOM 0 HG3 MET A 380 7.737 6.718 -10.383 1.00 0.00 H new ATOM 0 HE1 MET A 380 7.274 5.724 -14.828 1.00 0.00 H new ATOM 0 HE2 MET A 380 5.711 5.950 -14.006 1.00 0.00 H new ATOM 0 HE3 MET A 380 6.920 7.256 -13.994 1.00 0.00 H new ATOM 332 N TYR A 381 7.207 10.638 -11.476 1.00 0.00 N ATOM 333 CA TYR A 381 8.307 11.548 -11.743 1.00 0.00 C ATOM 334 C TYR A 381 8.116 12.839 -10.974 1.00 0.00 C ATOM 335 O TYR A 381 9.046 13.638 -10.841 1.00 0.00 O ATOM 336 CB TYR A 381 8.418 11.843 -13.240 1.00 0.00 C ATOM 337 CG TYR A 381 8.656 10.585 -14.074 1.00 0.00 C ATOM 338 CD1 TYR A 381 9.624 9.658 -13.727 1.00 0.00 C ATOM 339 CD2 TYR A 381 7.898 10.344 -15.217 1.00 0.00 C ATOM 340 CE1 TYR A 381 9.844 8.527 -14.484 1.00 0.00 C ATOM 341 CE2 TYR A 381 8.107 9.210 -15.981 1.00 0.00 C ATOM 342 CZ TYR A 381 9.074 8.307 -15.611 1.00 0.00 C ATOM 343 OH TYR A 381 9.276 7.186 -16.382 1.00 0.00 O ATOM 0 H TYR A 381 6.407 10.756 -12.098 1.00 0.00 H new ATOM 0 HA TYR A 381 9.231 11.071 -11.416 1.00 0.00 H new ATOM 0 HB2 TYR A 381 7.504 12.331 -13.579 1.00 0.00 H new ATOM 0 HB3 TYR A 381 9.235 12.545 -13.408 1.00 0.00 H new ATOM 0 HD1 TYR A 381 10.221 9.825 -12.842 1.00 0.00 H new ATOM 0 HD2 TYR A 381 7.137 11.052 -15.511 1.00 0.00 H new ATOM 0 HE1 TYR A 381 10.610 7.820 -14.200 1.00 0.00 H new ATOM 0 HE2 TYR A 381 7.512 9.035 -16.865 1.00 0.00 H new ATOM 0 HH TYR A 381 8.648 7.189 -17.134 1.00 0.00 H new ATOM 353 N GLY A 382 6.906 13.068 -10.453 1.00 0.00 N ATOM 354 CA GLY A 382 6.633 14.292 -9.707 1.00 0.00 C ATOM 355 C GLY A 382 6.843 15.520 -10.587 1.00 0.00 C ATOM 356 O GLY A 382 6.185 15.656 -11.618 1.00 0.00 O ATOM 0 H GLY A 382 6.114 12.430 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.608 14.276 -9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.287 14.346 -8.837 1.00 0.00 H new ATOM 360 N ALA A 383 7.765 16.395 -10.195 1.00 0.00 N ATOM 361 CA ALA A 383 8.010 17.613 -10.953 1.00 0.00 C ATOM 362 C ALA A 383 8.910 17.350 -12.160 1.00 0.00 C ATOM 363 O ALA A 383 9.142 18.223 -12.987 1.00 0.00 O ATOM 364 CB ALA A 383 8.643 18.658 -10.040 1.00 0.00 C ATOM 0 H ALA A 383 8.348 16.283 -9.366 1.00 0.00 H new ATOM 0 HA ALA A 383 7.056 17.983 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 383 8.828 19.571 -10.606 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.968 18.874 -9.212 1.00 0.00 H new ATOM 0 HB3 ALA A 383 9.586 18.276 -9.649 1.00 0.00 H new ATOM 370 N ASN A 384 9.411 16.125 -12.258 1.00 0.00 N ATOM 371 CA ASN A 384 10.372 15.755 -13.296 1.00 0.00 C ATOM 372 C ASN A 384 9.677 15.329 -14.598 1.00 0.00 C ATOM 373 O ASN A 384 10.316 15.267 -15.662 1.00 0.00 O ATOM 374 CB ASN A 384 11.299 14.630 -12.812 1.00 0.00 C ATOM 375 CG ASN A 384 12.110 15.054 -11.596 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.204 15.612 -11.729 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.587 14.793 -10.413 1.00 0.00 N ATOM 0 H ASN A 384 9.166 15.363 -11.626 1.00 0.00 H new ATOM 0 HA ASN A 384 10.967 16.644 -13.505 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.705 13.750 -12.565 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.974 14.343 -13.618 1.00 0.00 H new ATOM 0 HD21 ASN A 384 12.089 15.054 -9.564 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.680 14.330 -10.347 1.00 0.00 H new ATOM 384 N CYS A 385 8.371 15.045 -14.529 1.00 0.00 N ATOM 385 CA CYS A 385 7.612 14.703 -15.722 1.00 0.00 C ATOM 386 C CYS A 385 7.350 15.948 -16.549 1.00 0.00 C ATOM 387 O CYS A 385 6.917 16.974 -16.032 1.00 0.00 O ATOM 388 CB CYS A 385 6.308 13.964 -15.361 1.00 0.00 C ATOM 389 SG CYS A 385 5.298 14.753 -14.058 1.00 0.00 S ATOM 0 H CYS A 385 7.828 15.047 -13.665 1.00 0.00 H new ATOM 0 HA CYS A 385 8.203 14.017 -16.328 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.701 13.871 -16.262 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.560 12.953 -15.040 1.00 0.00 H new ATOM 0 HG CYS A 385 4.890 13.849 -13.218 1.00 0.00 H new ATOM 394 N TYR A 386 7.616 15.853 -17.846 1.00 0.00 N ATOM 395 CA TYR A 386 7.503 16.972 -18.767 1.00 0.00 C ATOM 396 C TYR A 386 6.083 17.093 -19.328 1.00 0.00 C ATOM 397 O TYR A 386 5.845 17.750 -20.341 1.00 0.00 O ATOM 398 CB TYR A 386 8.543 16.867 -19.918 1.00 0.00 C ATOM 399 CG TYR A 386 8.523 15.552 -20.670 1.00 0.00 C ATOM 400 CD1 TYR A 386 7.682 15.366 -21.767 1.00 0.00 C ATOM 401 CD2 TYR A 386 9.355 14.501 -20.295 1.00 0.00 C ATOM 402 CE1 TYR A 386 7.678 14.175 -22.452 1.00 0.00 C ATOM 403 CE2 TYR A 386 9.339 13.301 -20.979 1.00 0.00 C ATOM 404 CZ TYR A 386 8.498 13.153 -22.060 1.00 0.00 C ATOM 405 OH TYR A 386 8.485 11.964 -22.748 1.00 0.00 O ATOM 0 H TYR A 386 7.919 14.987 -18.291 1.00 0.00 H new ATOM 0 HA TYR A 386 7.719 17.879 -18.202 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.365 17.677 -20.625 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.540 17.018 -19.504 1.00 0.00 H new ATOM 0 HD1 TYR A 386 7.028 16.166 -22.081 1.00 0.00 H new ATOM 0 HD2 TYR A 386 10.024 14.626 -19.456 1.00 0.00 H new ATOM 0 HE1 TYR A 386 7.025 14.045 -23.303 1.00 0.00 H new ATOM 0 HE2 TYR A 386 9.979 12.488 -20.670 1.00 0.00 H new ATOM 0 HH TYR A 386 9.126 11.344 -22.342 1.00 0.00 H new ATOM 415 N ARG A 387 5.147 16.458 -18.641 1.00 0.00 N ATOM 416 CA ARG A 387 3.738 16.569 -18.974 1.00 0.00 C ATOM 417 C ARG A 387 3.132 17.783 -18.258 1.00 0.00 C ATOM 418 O ARG A 387 3.180 17.850 -17.021 1.00 0.00 O ATOM 419 CB ARG A 387 2.984 15.295 -18.582 1.00 0.00 C ATOM 420 CG ARG A 387 3.521 14.019 -19.227 1.00 0.00 C ATOM 421 CD ARG A 387 3.452 14.079 -20.743 1.00 0.00 C ATOM 422 NE ARG A 387 3.961 12.843 -21.361 1.00 0.00 N ATOM 423 CZ ARG A 387 4.507 12.777 -22.580 1.00 0.00 C ATOM 424 NH1 ARG A 387 4.588 13.871 -23.332 1.00 0.00 N ATOM 425 NH2 ARG A 387 4.966 11.621 -23.033 1.00 0.00 N ATOM 0 H ARG A 387 5.342 15.855 -17.842 1.00 0.00 H new ATOM 0 HA ARG A 387 3.644 16.702 -20.052 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.023 15.184 -17.498 1.00 0.00 H new ATOM 0 HB3 ARG A 387 1.935 15.411 -18.853 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.554 13.862 -18.916 1.00 0.00 H new ATOM 0 HG3 ARG A 387 2.948 13.163 -18.871 1.00 0.00 H new ATOM 0 HD2 ARG A 387 2.420 14.243 -21.054 1.00 0.00 H new ATOM 0 HD3 ARG A 387 4.032 14.930 -21.100 1.00 0.00 H new ATOM 0 HE ARG A 387 3.892 11.979 -20.823 1.00 0.00 H new ATOM 0 HH11 ARG A 387 4.234 14.760 -22.979 1.00 0.00 H new ATOM 0 HH12 ARG A 387 5.004 13.821 -24.262 1.00 0.00 H new ATOM 0 HH21 ARG A 387 4.903 10.784 -22.453 1.00 0.00 H new ATOM 0 HH22 ARG A 387 5.383 11.567 -23.962 1.00 0.00 H new ATOM 439 N LYS A 388 2.573 18.706 -19.021 1.00 0.00 N ATOM 440 CA LYS A 388 1.940 19.908 -18.462 1.00 0.00 C ATOM 441 C LYS A 388 0.488 19.973 -18.902 1.00 0.00 C ATOM 442 O LYS A 388 -0.241 20.920 -18.594 1.00 0.00 O ATOM 443 CB LYS A 388 2.694 21.184 -18.887 1.00 0.00 C ATOM 444 CG LYS A 388 3.105 21.244 -20.355 1.00 0.00 C ATOM 445 CD LYS A 388 4.406 20.469 -20.592 1.00 0.00 C ATOM 446 CE LYS A 388 4.805 20.482 -22.066 1.00 0.00 C ATOM 447 NZ LYS A 388 6.055 19.714 -22.313 1.00 0.00 N ATOM 0 H LYS A 388 2.540 18.653 -20.039 1.00 0.00 H new ATOM 0 HA LYS A 388 1.982 19.848 -17.374 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.065 22.047 -18.668 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.589 21.278 -18.273 1.00 0.00 H new ATOM 0 HG2 LYS A 388 2.311 20.828 -20.976 1.00 0.00 H new ATOM 0 HG3 LYS A 388 3.236 22.283 -20.658 1.00 0.00 H new ATOM 0 HD2 LYS A 388 5.205 20.906 -19.994 1.00 0.00 H new ATOM 0 HD3 LYS A 388 4.284 19.439 -20.256 1.00 0.00 H new ATOM 0 HE2 LYS A 388 3.997 20.061 -22.664 1.00 0.00 H new ATOM 0 HE3 LYS A 388 4.942 21.512 -22.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 6.096 19.429 -23.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 6.878 20.309 -22.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 6.066 18.866 -21.711 1.00 0.00 H new ATOM 461 N ASN A 389 0.066 18.931 -19.637 1.00 0.00 N ATOM 462 CA ASN A 389 -1.311 18.779 -20.030 1.00 0.00 C ATOM 463 C ASN A 389 -2.181 18.608 -18.776 1.00 0.00 C ATOM 464 O ASN A 389 -1.828 17.848 -17.870 1.00 0.00 O ATOM 465 CB ASN A 389 -1.447 17.563 -20.974 1.00 0.00 C ATOM 466 CG ASN A 389 -0.881 16.289 -20.385 1.00 0.00 C ATOM 467 OD1 ASN A 389 0.332 16.052 -20.433 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.750 15.415 -19.885 1.00 0.00 N ATOM 0 H ASN A 389 0.679 18.184 -19.965 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.649 19.666 -20.566 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.500 17.410 -21.211 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.937 17.780 -21.913 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.422 14.518 -19.526 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.744 15.642 -19.860 1.00 0.00 H new ATOM 475 N PRO A 390 -3.334 19.304 -18.714 1.00 0.00 N ATOM 476 CA PRO A 390 -4.185 19.352 -17.511 1.00 0.00 C ATOM 477 C PRO A 390 -4.562 17.958 -17.043 1.00 0.00 C ATOM 478 O PRO A 390 -4.772 17.710 -15.853 1.00 0.00 O ATOM 479 CB PRO A 390 -5.439 20.125 -17.978 1.00 0.00 C ATOM 480 CG PRO A 390 -5.366 20.115 -19.467 1.00 0.00 C ATOM 481 CD PRO A 390 -3.911 20.091 -19.815 1.00 0.00 C ATOM 0 HA PRO A 390 -3.682 19.822 -16.666 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.352 19.646 -17.624 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.442 21.144 -17.590 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -5.878 19.244 -19.876 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.852 20.996 -19.886 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -3.733 19.625 -20.784 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.488 21.095 -19.862 1.00 0.00 H new ATOM 489 N VAL A 391 -4.645 17.024 -17.985 1.00 0.00 N ATOM 490 CA VAL A 391 -5.023 15.664 -17.694 1.00 0.00 C ATOM 491 C VAL A 391 -3.964 14.983 -16.800 1.00 0.00 C ATOM 492 O VAL A 391 -4.298 14.174 -15.929 1.00 0.00 O ATOM 493 CB VAL A 391 -5.226 14.839 -19.001 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.545 13.369 -18.677 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.344 15.427 -19.835 1.00 0.00 C ATOM 0 H VAL A 391 -4.450 17.199 -18.971 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.972 15.695 -17.159 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.296 14.882 -19.569 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.682 12.814 -19.605 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.721 12.934 -18.112 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.458 13.317 -18.084 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.470 14.837 -20.743 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.271 15.413 -19.262 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.097 16.455 -20.102 1.00 0.00 H new ATOM 505 N HIS A 392 -2.691 15.341 -16.992 1.00 0.00 N ATOM 506 CA HIS A 392 -1.641 14.733 -16.198 1.00 0.00 C ATOM 507 C HIS A 392 -1.823 15.089 -14.734 1.00 0.00 C ATOM 508 O HIS A 392 -1.403 14.330 -13.851 1.00 0.00 O ATOM 509 CB HIS A 392 -0.242 15.191 -16.704 1.00 0.00 C ATOM 510 CG HIS A 392 0.892 14.528 -15.999 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.209 13.188 -16.128 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.815 15.040 -15.149 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.280 12.933 -15.344 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.686 14.031 -14.722 1.00 0.00 N ATOM 0 H HIS A 392 -2.376 16.031 -17.674 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.703 13.650 -16.303 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -0.166 14.986 -17.772 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.155 16.270 -16.580 1.00 0.00 H new ATOM 0 HD2 HIS A 392 1.870 16.075 -14.846 1.00 0.00 H new ATOM 0 HE1 HIS A 392 2.744 11.963 -15.238 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.466 14.121 -14.071 1.00 0.00 H new ATOM 522 N PHE A 393 -2.490 16.202 -14.468 1.00 0.00 N ATOM 523 CA PHE A 393 -2.726 16.681 -13.103 1.00 0.00 C ATOM 524 C PHE A 393 -4.108 16.231 -12.597 1.00 0.00 C ATOM 525 O PHE A 393 -4.373 16.295 -11.397 1.00 0.00 O ATOM 526 CB PHE A 393 -2.623 18.201 -13.032 1.00 0.00 C ATOM 527 CG PHE A 393 -1.310 18.740 -13.513 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.207 18.790 -12.692 1.00 0.00 C ATOM 529 CD2 PHE A 393 -1.174 19.205 -14.814 1.00 0.00 C ATOM 530 CE1 PHE A 393 1.005 19.281 -13.135 1.00 0.00 C ATOM 531 CE2 PHE A 393 0.031 19.700 -15.273 1.00 0.00 C ATOM 532 CZ PHE A 393 1.125 19.735 -14.425 1.00 0.00 C ATOM 0 H PHE A 393 -2.886 16.804 -15.190 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.957 16.247 -12.464 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.425 18.639 -13.627 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.780 18.519 -12.001 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -0.291 18.436 -11.675 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -2.025 19.179 -15.479 1.00 0.00 H new ATOM 0 HE1 PHE A 393 1.855 19.308 -12.469 1.00 0.00 H new ATOM 0 HE2 PHE A 393 0.119 20.058 -16.288 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.071 20.119 -14.778 1.00 0.00 H new ATOM 542 N GLN A 394 -4.965 15.795 -13.501 1.00 0.00 N ATOM 543 CA GLN A 394 -6.335 15.389 -13.107 1.00 0.00 C ATOM 544 C GLN A 394 -6.321 13.973 -12.523 1.00 0.00 C ATOM 545 O GLN A 394 -7.199 13.615 -11.744 1.00 0.00 O ATOM 546 CB GLN A 394 -7.300 15.487 -14.308 1.00 0.00 C ATOM 547 CG GLN A 394 -7.219 14.323 -15.305 1.00 0.00 C ATOM 548 CD GLN A 394 -8.056 13.111 -14.937 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.660 11.977 -15.217 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.219 13.325 -14.324 1.00 0.00 N ATOM 0 H GLN A 394 -4.760 15.707 -14.496 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.694 16.072 -12.337 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.320 15.551 -13.930 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -7.099 16.416 -14.841 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.534 14.680 -16.286 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.178 14.014 -15.397 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.514 14.277 -14.108 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.814 12.537 -14.070 1.00 0.00 H new ATOM 559 N HIS A 395 -5.332 13.168 -12.918 1.00 0.00 N ATOM 560 CA HIS A 395 -5.196 11.816 -12.374 1.00 0.00 C ATOM 561 C HIS A 395 -3.923 11.636 -11.540 1.00 0.00 C ATOM 562 O HIS A 395 -3.825 10.707 -10.727 1.00 0.00 O ATOM 563 CB HIS A 395 -5.275 10.730 -13.483 1.00 0.00 C ATOM 564 CG HIS A 395 -4.565 11.037 -14.752 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.247 11.432 -14.798 1.00 0.00 N ATOM 566 CD2 HIS A 395 -4.976 10.962 -16.041 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.870 11.569 -16.064 1.00 0.00 C ATOM 568 NE2 HIS A 395 -3.899 11.291 -16.837 1.00 0.00 N ATOM 0 H HIS A 395 -4.622 13.425 -13.604 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.046 11.683 -11.705 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.873 9.800 -13.081 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.325 10.550 -13.713 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.965 10.694 -16.382 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -1.886 11.859 -16.402 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -3.899 11.315 -17.857 1.00 0.00 H new ATOM 577 N PHE A 396 -2.922 12.513 -11.726 1.00 0.00 N ATOM 578 CA PHE A 396 -1.687 12.434 -10.944 1.00 0.00 C ATOM 579 C PHE A 396 -1.360 13.763 -10.276 1.00 0.00 C ATOM 580 O PHE A 396 -1.316 14.818 -10.899 1.00 0.00 O ATOM 581 CB PHE A 396 -0.505 11.970 -11.831 1.00 0.00 C ATOM 582 CG PHE A 396 -0.501 10.484 -12.136 1.00 0.00 C ATOM 583 CD1 PHE A 396 -1.208 9.963 -13.207 1.00 0.00 C ATOM 584 CD2 PHE A 396 0.216 9.617 -11.318 1.00 0.00 C ATOM 585 CE1 PHE A 396 -1.211 8.613 -13.472 1.00 0.00 C ATOM 586 CE2 PHE A 396 0.215 8.254 -11.580 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.504 7.753 -12.660 1.00 0.00 C ATOM 0 H PHE A 396 -2.947 13.275 -12.404 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.845 11.696 -10.158 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.532 12.522 -12.770 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.430 12.230 -11.335 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -1.768 10.629 -13.846 1.00 0.00 H new ATOM 0 HD2 PHE A 396 0.774 10.005 -10.478 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -1.766 8.228 -14.315 1.00 0.00 H new ATOM 0 HE2 PHE A 396 0.773 7.582 -10.945 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.508 6.692 -12.862 1.00 0.00 H new ATOM 597 N SER A 397 -1.133 13.689 -8.955 1.00 0.00 N ATOM 598 CA SER A 397 -0.740 14.830 -8.153 1.00 0.00 C ATOM 599 C SER A 397 0.763 15.083 -8.275 1.00 0.00 C ATOM 600 O SER A 397 1.514 14.177 -8.639 1.00 0.00 O ATOM 601 CB SER A 397 -1.125 14.572 -6.677 1.00 0.00 C ATOM 602 OG SER A 397 -0.750 13.254 -6.272 1.00 0.00 O ATOM 0 H SER A 397 -1.221 12.824 -8.421 1.00 0.00 H new ATOM 0 HA SER A 397 -1.261 15.717 -8.514 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.636 15.306 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 397 -2.200 14.703 -6.550 1.00 0.00 H new ATOM 0 HG SER A 397 -1.275 12.991 -5.488 1.00 0.00 H new ATOM 608 N HIS A 398 1.182 16.296 -7.987 1.00 0.00 N ATOM 609 CA HIS A 398 2.557 16.734 -8.156 1.00 0.00 C ATOM 610 C HIS A 398 3.003 17.559 -6.948 1.00 0.00 C ATOM 611 O HIS A 398 2.149 18.063 -6.227 1.00 0.00 O ATOM 612 CB HIS A 398 2.669 17.559 -9.450 1.00 0.00 C ATOM 613 CG HIS A 398 2.523 16.716 -10.672 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.348 16.082 -11.030 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.446 16.334 -11.574 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.603 15.333 -12.103 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.864 15.446 -12.480 1.00 0.00 N ATOM 0 H HIS A 398 0.567 17.023 -7.621 1.00 0.00 H new ATOM 0 HA HIS A 398 3.210 15.865 -8.229 1.00 0.00 H new ATOM 0 HB2 HIS A 398 1.902 18.334 -9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.634 18.065 -9.473 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.475 16.663 -11.594 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.872 14.713 -12.601 1.00 0.00 H new ATOM 0 HE2 HIS A 398 3.317 14.982 -13.267 1.00 0.00 H new ATOM 625 N PRO A 399 4.324 17.693 -6.703 1.00 0.00 N ATOM 626 CA PRO A 399 4.828 18.474 -5.574 1.00 0.00 C ATOM 627 C PRO A 399 4.304 19.918 -5.640 1.00 0.00 C ATOM 628 O PRO A 399 4.780 20.746 -6.424 1.00 0.00 O ATOM 629 CB PRO A 399 6.361 18.445 -5.767 1.00 0.00 C ATOM 630 CG PRO A 399 6.562 18.047 -7.185 1.00 0.00 C ATOM 631 CD PRO A 399 5.417 17.118 -7.498 1.00 0.00 C ATOM 0 HA PRO A 399 4.513 18.077 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.803 19.421 -5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.831 17.735 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.556 18.916 -7.843 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.522 17.550 -7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.183 17.105 -8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.635 16.091 -7.207 1.00 0.00 H new ATOM 639 N GLY A 400 3.309 20.186 -4.822 1.00 0.00 N ATOM 640 CA GLY A 400 2.615 21.466 -4.834 1.00 0.00 C ATOM 641 C GLY A 400 1.126 21.301 -5.020 1.00 0.00 C ATOM 642 O GLY A 400 0.372 22.275 -5.028 1.00 0.00 O ATOM 0 H GLY A 400 2.955 19.527 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.807 21.991 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.014 22.087 -5.636 1.00 0.00 H new ATOM 646 N ASP A 401 0.703 20.042 -5.146 1.00 0.00 N ATOM 647 CA ASP A 401 -0.705 19.704 -5.316 1.00 0.00 C ATOM 648 C ASP A 401 -1.285 19.249 -3.977 1.00 0.00 C ATOM 649 O ASP A 401 -0.591 18.594 -3.200 1.00 0.00 O ATOM 650 CB ASP A 401 -0.881 18.599 -6.374 1.00 0.00 C ATOM 651 CG ASP A 401 -2.333 18.207 -6.593 1.00 0.00 C ATOM 652 OD1 ASP A 401 -3.046 18.921 -7.320 1.00 0.00 O ATOM 653 OD2 ASP A 401 -2.761 17.191 -6.040 1.00 0.00 O ATOM 0 H ASP A 401 1.326 19.234 -5.133 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.239 20.590 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.456 18.938 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.316 17.719 -6.068 1.00 0.00 H new ATOM 658 N SER A 402 -2.532 19.594 -3.720 1.00 0.00 N ATOM 659 CA SER A 402 -3.169 19.286 -2.434 1.00 0.00 C ATOM 660 C SER A 402 -3.246 17.774 -2.193 1.00 0.00 C ATOM 661 O SER A 402 -3.188 17.329 -1.044 1.00 0.00 O ATOM 662 CB SER A 402 -4.570 19.915 -2.387 1.00 0.00 C ATOM 663 OG SER A 402 -5.158 19.767 -1.112 1.00 0.00 O ATOM 0 H SER A 402 -3.133 20.089 -4.379 1.00 0.00 H new ATOM 0 HA SER A 402 -2.558 19.711 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 402 -4.504 20.974 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 402 -5.206 19.448 -3.139 1.00 0.00 H new ATOM 0 HG SER A 402 -6.048 20.178 -1.112 1.00 0.00 H new ATOM 669 N ASP A 403 -3.346 17.002 -3.269 1.00 0.00 N ATOM 670 CA ASP A 403 -3.556 15.545 -3.161 1.00 0.00 C ATOM 671 C ASP A 403 -2.237 14.797 -3.304 1.00 0.00 C ATOM 672 O ASP A 403 -2.207 13.570 -3.418 1.00 0.00 O ATOM 673 CB ASP A 403 -4.549 15.056 -4.211 1.00 0.00 C ATOM 674 CG ASP A 403 -5.998 15.396 -3.889 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.296 16.579 -3.665 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.837 14.471 -3.864 1.00 0.00 O ATOM 0 H ASP A 403 -3.287 17.349 -4.226 1.00 0.00 H new ATOM 0 HA ASP A 403 -3.969 15.342 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.289 15.492 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.453 13.975 -4.314 1.00 0.00 H new ATOM 681 N TYR A 404 -1.121 15.536 -3.306 1.00 0.00 N ATOM 682 CA TYR A 404 0.188 14.909 -3.428 1.00 0.00 C ATOM 683 C TYR A 404 0.664 14.372 -2.076 1.00 0.00 C ATOM 684 O TYR A 404 0.273 14.902 -1.016 1.00 0.00 O ATOM 685 CB TYR A 404 1.221 15.865 -4.012 1.00 0.00 C ATOM 686 CG TYR A 404 2.516 15.174 -4.385 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.570 14.303 -5.466 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.689 15.362 -3.649 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.740 13.636 -5.815 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.860 14.718 -3.979 1.00 0.00 C ATOM 691 CZ TYR A 404 4.874 13.857 -5.064 1.00 0.00 C ATOM 692 OH TYR A 404 6.045 13.213 -5.407 1.00 0.00 O ATOM 0 H TYR A 404 -1.103 16.553 -3.226 1.00 0.00 H new ATOM 0 HA TYR A 404 0.081 14.073 -4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.804 16.347 -4.896 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.430 16.653 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.678 14.139 -6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.676 16.029 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.759 12.959 -6.657 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.756 14.882 -3.399 1.00 0.00 H new ATOM 0 HH TYR A 404 6.755 13.472 -4.784 1.00 0.00 H new ATOM 849 N ASP A 416 11.802 -3.466 -4.090 1.00 0.00 N ATOM 850 CA ASP A 416 12.950 -3.707 -3.222 1.00 0.00 C ATOM 851 C ASP A 416 14.011 -4.419 -4.037 1.00 0.00 C ATOM 852 O ASP A 416 14.991 -3.807 -4.478 1.00 0.00 O ATOM 853 CB ASP A 416 12.552 -4.568 -2.017 1.00 0.00 C ATOM 854 CG ASP A 416 13.722 -4.901 -1.111 1.00 0.00 C ATOM 855 OD1 ASP A 416 14.052 -4.099 -0.208 1.00 0.00 O ATOM 856 OD2 ASP A 416 14.322 -5.974 -1.300 1.00 0.00 O ATOM 0 HA ASP A 416 13.329 -2.758 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 416 11.791 -4.044 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 416 12.101 -5.494 -2.373 1.00 0.00 H new ATOM 861 N ASP A 417 13.794 -5.721 -4.266 1.00 0.00 N ATOM 862 CA ASP A 417 14.633 -6.532 -5.126 1.00 0.00 C ATOM 863 C ASP A 417 13.757 -7.481 -5.962 1.00 0.00 C ATOM 864 O ASP A 417 14.241 -8.240 -6.800 1.00 0.00 O ATOM 865 CB ASP A 417 15.627 -7.336 -4.270 1.00 0.00 C ATOM 866 CG ASP A 417 16.608 -8.176 -5.102 1.00 0.00 C ATOM 867 OD1 ASP A 417 17.567 -7.602 -5.647 1.00 0.00 O ATOM 868 OD2 ASP A 417 16.403 -9.404 -5.204 1.00 0.00 O ATOM 0 H ASP A 417 13.019 -6.237 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 417 15.193 -5.885 -5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 417 16.192 -6.649 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 417 15.071 -7.995 -3.603 1.00 0.00 H new ATOM 873 N ARG A 418 12.438 -7.381 -5.748 1.00 0.00 N ATOM 874 CA ARG A 418 11.475 -8.312 -6.336 1.00 0.00 C ATOM 875 C ARG A 418 10.056 -7.795 -6.110 1.00 0.00 C ATOM 876 O ARG A 418 9.810 -7.092 -5.131 1.00 0.00 O ATOM 877 CB ARG A 418 11.644 -9.700 -5.716 1.00 0.00 C ATOM 878 CG ARG A 418 11.548 -9.718 -4.203 1.00 0.00 C ATOM 879 CD ARG A 418 11.646 -11.112 -3.637 1.00 0.00 C ATOM 880 NE ARG A 418 11.628 -11.102 -2.170 1.00 0.00 N ATOM 881 CZ ARG A 418 11.557 -12.189 -1.414 1.00 0.00 C ATOM 882 NH1 ARG A 418 11.594 -13.399 -1.958 1.00 0.00 N ATOM 883 NH2 ARG A 418 11.469 -12.069 -0.098 1.00 0.00 N ATOM 0 H ARG A 418 12.015 -6.658 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 418 11.655 -8.388 -7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 418 10.883 -10.364 -6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 418 12.612 -10.103 -6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 418 12.344 -9.102 -3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 418 10.603 -9.270 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 418 10.817 -11.715 -4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 418 12.564 -11.584 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 418 11.673 -10.198 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 418 11.678 -13.501 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 418 11.538 -14.227 -1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 418 11.456 -11.143 0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 418 11.414 -12.902 0.488 1.00 0.00 H new ATOM 897 N PRO A 419 9.105 -8.118 -7.012 1.00 0.00 N ATOM 898 CA PRO A 419 7.711 -7.686 -6.873 1.00 0.00 C ATOM 899 C PRO A 419 6.954 -8.489 -5.811 1.00 0.00 C ATOM 900 O PRO A 419 7.356 -9.608 -5.472 1.00 0.00 O ATOM 901 CB PRO A 419 7.124 -7.940 -8.265 1.00 0.00 C ATOM 902 CG PRO A 419 7.912 -9.078 -8.812 1.00 0.00 C ATOM 903 CD PRO A 419 9.299 -8.943 -8.216 1.00 0.00 C ATOM 0 HA PRO A 419 7.634 -6.649 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 419 6.064 -8.185 -8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 419 7.213 -7.057 -8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 419 7.461 -10.032 -8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 419 7.949 -9.041 -9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 419 9.720 -9.917 -7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 419 9.987 -8.468 -8.916 1.00 0.00 H new ATOM 911 N GLU A 420 5.891 -7.907 -5.283 1.00 0.00 N ATOM 912 CA GLU A 420 5.068 -8.585 -4.298 1.00 0.00 C ATOM 913 C GLU A 420 4.231 -9.685 -4.936 1.00 0.00 C ATOM 914 O GLU A 420 3.843 -9.585 -6.101 1.00 0.00 O ATOM 915 CB GLU A 420 4.154 -7.600 -3.554 1.00 0.00 C ATOM 916 CG GLU A 420 4.911 -6.534 -2.773 1.00 0.00 C ATOM 917 CD GLU A 420 5.104 -5.250 -3.560 1.00 0.00 C ATOM 918 OE1 GLU A 420 6.019 -5.206 -4.416 1.00 0.00 O ATOM 919 OE2 GLU A 420 4.367 -4.275 -3.312 1.00 0.00 O ATOM 0 H GLU A 420 5.578 -6.966 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 420 5.748 -9.039 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 420 3.497 -7.112 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 420 3.517 -8.157 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 420 4.370 -6.312 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 420 5.886 -6.927 -2.483 1.00 0.00 H new ATOM 926 N CYS A 421 3.998 -10.727 -4.159 1.00 0.00 N ATOM 927 CA CYS A 421 3.197 -11.856 -4.603 1.00 0.00 C ATOM 928 C CYS A 421 1.789 -11.353 -4.983 1.00 0.00 C ATOM 929 O CYS A 421 1.171 -10.583 -4.228 1.00 0.00 O ATOM 930 CB CYS A 421 3.098 -12.889 -3.480 1.00 0.00 C ATOM 931 SG CYS A 421 2.750 -14.600 -4.024 1.00 0.00 S ATOM 0 H CYS A 421 4.356 -10.816 -3.208 1.00 0.00 H new ATOM 0 HA CYS A 421 3.663 -12.323 -5.471 1.00 0.00 H new ATOM 0 HB2 CYS A 421 4.034 -12.886 -2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 421 2.314 -12.578 -2.790 1.00 0.00 H new ATOM 0 HG CYS A 421 2.826 -15.403 -3.005 1.00 0.00 H new ATOM 936 N PRO A 422 1.284 -11.759 -6.164 1.00 0.00 N ATOM 937 CA PRO A 422 -0.021 -11.295 -6.686 1.00 0.00 C ATOM 938 C PRO A 422 -1.183 -11.610 -5.735 1.00 0.00 C ATOM 939 O PRO A 422 -2.247 -10.985 -5.794 1.00 0.00 O ATOM 940 CB PRO A 422 -0.161 -12.037 -8.025 1.00 0.00 C ATOM 941 CG PRO A 422 0.780 -13.196 -7.933 1.00 0.00 C ATOM 942 CD PRO A 422 1.934 -12.694 -7.095 1.00 0.00 C ATOM 0 HA PRO A 422 -0.057 -10.211 -6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -1.186 -12.374 -8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 422 0.094 -11.388 -8.863 1.00 0.00 H new ATOM 0 HG2 PRO A 422 0.301 -14.058 -7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 422 1.117 -13.511 -8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 422 2.434 -13.507 -6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 422 2.689 -12.197 -7.704 1.00 0.00 H new ATOM 950 N TYR A 423 -0.983 -12.609 -4.870 1.00 0.00 N ATOM 951 CA TYR A 423 -2.008 -13.027 -3.908 1.00 0.00 C ATOM 952 C TYR A 423 -1.763 -12.381 -2.547 1.00 0.00 C ATOM 953 O TYR A 423 -2.564 -12.528 -1.620 1.00 0.00 O ATOM 954 CB TYR A 423 -2.018 -14.552 -3.753 1.00 0.00 C ATOM 955 CG TYR A 423 -2.192 -15.318 -5.051 1.00 0.00 C ATOM 956 CD1 TYR A 423 -1.117 -15.552 -5.915 1.00 0.00 C ATOM 957 CD2 TYR A 423 -3.438 -15.832 -5.413 1.00 0.00 C ATOM 958 CE1 TYR A 423 -1.284 -16.262 -7.084 1.00 0.00 C ATOM 959 CE2 TYR A 423 -3.603 -16.552 -6.581 1.00 0.00 C ATOM 960 CZ TYR A 423 -2.524 -16.766 -7.412 1.00 0.00 C ATOM 961 OH TYR A 423 -2.680 -17.474 -8.575 1.00 0.00 O ATOM 0 H TYR A 423 -0.117 -13.145 -4.816 1.00 0.00 H new ATOM 0 HA TYR A 423 -2.976 -12.702 -4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -1.084 -14.863 -3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -2.823 -14.830 -3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 423 -0.139 -15.170 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 423 -4.288 -15.664 -4.769 1.00 0.00 H new ATOM 0 HE1 TYR A 423 -0.444 -16.423 -7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 423 -4.574 -16.946 -6.842 1.00 0.00 H new ATOM 0 HH TYR A 423 -3.613 -17.762 -8.660 1.00 0.00 H new ATOM 971 N GLY A 424 -0.642 -11.674 -2.431 1.00 0.00 N ATOM 972 CA GLY A 424 -0.237 -11.110 -1.149 1.00 0.00 C ATOM 973 C GLY A 424 0.323 -12.166 -0.211 1.00 0.00 C ATOM 974 O GLY A 424 0.835 -13.185 -0.665 1.00 0.00 O ATOM 0 H GLY A 424 -0.004 -11.480 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 424 0.514 -10.338 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.094 -10.626 -0.679 1.00 0.00 H new ATOM 978 N PRO A 425 0.249 -11.950 1.116 1.00 0.00 N ATOM 979 CA PRO A 425 0.721 -12.936 2.090 1.00 0.00 C ATOM 980 C PRO A 425 -0.171 -14.183 2.120 1.00 0.00 C ATOM 981 O PRO A 425 0.244 -15.239 2.610 1.00 0.00 O ATOM 982 CB PRO A 425 0.673 -12.181 3.422 1.00 0.00 C ATOM 983 CG PRO A 425 -0.381 -11.142 3.217 1.00 0.00 C ATOM 984 CD PRO A 425 -0.281 -10.735 1.770 1.00 0.00 C ATOM 0 HA PRO A 425 1.716 -13.312 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 425 0.421 -12.846 4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 425 1.636 -11.730 3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -1.370 -11.539 3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -0.221 -10.288 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -1.251 -10.449 1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 425 0.385 -9.882 1.636 1.00 0.00 H new ATOM 992 N SER A 426 -1.379 -14.063 1.566 1.00 0.00 N ATOM 993 CA SER A 426 -2.315 -15.186 1.489 1.00 0.00 C ATOM 994 C SER A 426 -1.957 -16.122 0.330 1.00 0.00 C ATOM 995 O SER A 426 -2.661 -17.087 0.045 1.00 0.00 O ATOM 996 CB SER A 426 -3.758 -14.676 1.326 1.00 0.00 C ATOM 997 OG SER A 426 -4.704 -15.729 1.404 1.00 0.00 O ATOM 0 H SER A 426 -1.733 -13.196 1.163 1.00 0.00 H new ATOM 0 HA SER A 426 -2.241 -15.747 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 426 -3.972 -13.938 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 426 -3.857 -14.169 0.366 1.00 0.00 H new ATOM 0 HG SER A 426 -4.371 -16.505 0.907 1.00 0.00 H new ATOM 1003 N CYS A 427 -0.841 -15.815 -0.326 1.00 0.00 N ATOM 1004 CA CYS A 427 -0.340 -16.616 -1.430 1.00 0.00 C ATOM 1005 C CYS A 427 -0.143 -18.070 -1.006 1.00 0.00 C ATOM 1006 O CYS A 427 0.666 -18.352 -0.129 1.00 0.00 O ATOM 1007 CB CYS A 427 0.971 -16.005 -1.941 1.00 0.00 C ATOM 1008 SG CYS A 427 1.755 -16.907 -3.306 1.00 0.00 S ATOM 0 H CYS A 427 -0.262 -15.005 -0.105 1.00 0.00 H new ATOM 0 HA CYS A 427 -1.072 -16.613 -2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 427 0.776 -14.983 -2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 427 1.675 -15.947 -1.111 1.00 0.00 H new ATOM 0 HG CYS A 427 2.135 -16.065 -4.221 1.00 0.00 H new ATOM 1013 N TYR A 428 -0.898 -18.966 -1.622 1.00 0.00 N ATOM 1014 CA TYR A 428 -0.800 -20.391 -1.339 1.00 0.00 C ATOM 1015 C TYR A 428 -0.128 -21.119 -2.499 1.00 0.00 C ATOM 1016 O TYR A 428 -0.321 -22.336 -2.699 1.00 0.00 O ATOM 1017 CB TYR A 428 -2.198 -20.970 -1.049 1.00 0.00 C ATOM 1018 CG TYR A 428 -3.273 -20.456 -1.977 1.00 0.00 C ATOM 1019 CD1 TYR A 428 -3.491 -20.997 -3.231 1.00 0.00 C ATOM 1020 CD2 TYR A 428 -4.087 -19.398 -1.580 1.00 0.00 C ATOM 1021 CE1 TYR A 428 -4.478 -20.509 -4.078 1.00 0.00 C ATOM 1022 CE2 TYR A 428 -5.070 -18.908 -2.397 1.00 0.00 C ATOM 1023 CZ TYR A 428 -5.264 -19.458 -3.644 1.00 0.00 C ATOM 1024 OH TYR A 428 -6.254 -18.969 -4.465 1.00 0.00 O ATOM 0 H TYR A 428 -1.593 -18.728 -2.329 1.00 0.00 H new ATOM 0 HA TYR A 428 -0.182 -20.536 -0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -2.154 -22.056 -1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -2.474 -20.733 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.877 -21.822 -3.561 1.00 0.00 H new ATOM 0 HD2 TYR A 428 -3.939 -18.954 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -4.628 -20.942 -5.056 1.00 0.00 H new ATOM 0 HE2 TYR A 428 -5.693 -18.091 -2.064 1.00 0.00 H new ATOM 0 HH TYR A 428 -6.718 -18.232 -4.015 1.00 0.00 H new ATOM 1034 N ARG A 429 0.642 -20.368 -3.290 1.00 0.00 N ATOM 1035 CA ARG A 429 1.421 -20.927 -4.393 1.00 0.00 C ATOM 1036 C ARG A 429 2.552 -21.769 -3.819 1.00 0.00 C ATOM 1037 O ARG A 429 3.550 -21.235 -3.326 1.00 0.00 O ATOM 1038 CB ARG A 429 1.967 -19.783 -5.262 1.00 0.00 C ATOM 1039 CG ARG A 429 0.877 -18.878 -5.839 1.00 0.00 C ATOM 1040 CD ARG A 429 0.154 -19.519 -7.028 1.00 0.00 C ATOM 1041 NE ARG A 429 1.000 -19.530 -8.214 1.00 0.00 N ATOM 1042 CZ ARG A 429 0.665 -18.995 -9.391 1.00 0.00 C ATOM 1043 NH1 ARG A 429 -0.520 -18.456 -9.586 1.00 0.00 N ATOM 1044 NH2 ARG A 429 1.542 -18.995 -10.401 1.00 0.00 N ATOM 0 H ARG A 429 0.742 -19.359 -3.183 1.00 0.00 H new ATOM 0 HA ARG A 429 0.795 -21.562 -5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 429 2.651 -19.179 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 429 2.548 -20.206 -6.082 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.152 -18.645 -5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 429 1.322 -17.934 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -0.135 -20.539 -6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -0.764 -18.970 -7.238 1.00 0.00 H new ATOM 0 HE ARG A 429 1.913 -19.978 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -1.204 -18.441 -8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -0.754 -18.053 -10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 429 2.468 -19.404 -10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 429 1.285 -18.586 -11.299 1.00 0.00 H new ATOM 1058 N LYS A 430 2.399 -23.094 -3.884 1.00 0.00 N ATOM 1059 CA LYS A 430 3.344 -24.018 -3.283 1.00 0.00 C ATOM 1060 C LYS A 430 4.566 -24.215 -4.181 1.00 0.00 C ATOM 1061 O LYS A 430 4.525 -24.988 -5.143 1.00 0.00 O ATOM 1062 CB LYS A 430 2.674 -25.366 -2.974 1.00 0.00 C ATOM 1063 CG LYS A 430 1.538 -25.268 -1.966 1.00 0.00 C ATOM 1064 CD LYS A 430 0.957 -26.621 -1.590 1.00 0.00 C ATOM 1065 CE LYS A 430 0.338 -27.337 -2.795 1.00 0.00 C ATOM 1066 NZ LYS A 430 -0.774 -26.560 -3.393 1.00 0.00 N ATOM 0 H LYS A 430 1.617 -23.548 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 430 3.682 -23.583 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 430 2.290 -25.792 -3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 430 3.426 -26.057 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 430 1.901 -24.772 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 430 0.747 -24.641 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 430 1.741 -27.245 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 430 0.198 -26.488 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 430 1.107 -27.508 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -0.029 -28.316 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -1.283 -27.154 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -1.429 -26.258 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -0.392 -25.723 -3.877 1.00 0.00 H new ATOM 1080 N ASN A 431 5.647 -23.493 -3.877 1.00 0.00 N ATOM 1081 CA ASN A 431 6.922 -23.613 -4.573 1.00 0.00 C ATOM 1082 C ASN A 431 7.959 -22.719 -3.909 1.00 0.00 C ATOM 1083 O ASN A 431 7.725 -21.529 -3.717 1.00 0.00 O ATOM 1084 CB ASN A 431 6.789 -23.206 -6.054 1.00 0.00 C ATOM 1085 CG ASN A 431 8.039 -23.564 -6.851 1.00 0.00 C ATOM 1086 OD1 ASN A 431 8.638 -24.627 -6.665 1.00 0.00 O ATOM 1087 ND2 ASN A 431 8.471 -22.673 -7.728 1.00 0.00 N ATOM 0 H ASN A 431 5.657 -22.800 -3.129 1.00 0.00 H new ATOM 0 HA ASN A 431 7.234 -24.656 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 431 5.923 -23.703 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 431 6.609 -22.133 -6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 431 9.316 -22.857 -8.268 1.00 0.00 H new ATOM 0 HD22 ASN A 431 7.959 -21.802 -7.864 1.00 0.00 H new ATOM 1094 N PRO A 432 9.152 -23.273 -3.570 1.00 0.00 N ATOM 1095 CA PRO A 432 10.208 -22.491 -2.926 1.00 0.00 C ATOM 1096 C PRO A 432 10.656 -21.325 -3.803 1.00 0.00 C ATOM 1097 O PRO A 432 10.802 -20.195 -3.323 1.00 0.00 O ATOM 1098 CB PRO A 432 11.347 -23.517 -2.743 1.00 0.00 C ATOM 1099 CG PRO A 432 11.035 -24.634 -3.672 1.00 0.00 C ATOM 1100 CD PRO A 432 9.527 -24.677 -3.776 1.00 0.00 C ATOM 0 HA PRO A 432 9.884 -22.036 -1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 432 12.315 -23.073 -2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 432 11.396 -23.867 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 432 11.489 -24.468 -4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 432 11.428 -25.578 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 432 9.198 -25.046 -4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 432 9.087 -25.329 -3.021 1.00 0.00 H new ATOM 1108 N GLN A 433 10.832 -21.583 -5.099 1.00 0.00 N ATOM 1109 CA GLN A 433 11.302 -20.562 -6.043 1.00 0.00 C ATOM 1110 C GLN A 433 10.319 -19.406 -6.085 1.00 0.00 C ATOM 1111 O GLN A 433 10.735 -18.251 -6.214 1.00 0.00 O ATOM 1112 CB GLN A 433 11.473 -21.155 -7.447 1.00 0.00 C ATOM 1113 CG GLN A 433 11.937 -20.154 -8.513 1.00 0.00 C ATOM 1114 CD GLN A 433 13.308 -19.574 -8.236 1.00 0.00 C ATOM 1115 OE1 GLN A 433 14.331 -20.102 -8.671 1.00 0.00 O ATOM 1116 NE2 GLN A 433 13.347 -18.464 -7.517 1.00 0.00 N ATOM 0 H GLN A 433 10.656 -22.494 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 433 12.272 -20.199 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 433 12.193 -21.971 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 433 10.523 -21.587 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 433 11.949 -20.648 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 433 11.213 -19.342 -8.578 1.00 0.00 H new ATOM 0 HE21 GLN A 433 12.482 -18.050 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 433 14.243 -18.022 -7.309 1.00 0.00 H new ATOM 1125 N HIS A 434 9.045 -19.712 -5.948 1.00 0.00 N ATOM 1126 CA HIS A 434 8.005 -18.694 -5.972 1.00 0.00 C ATOM 1127 C HIS A 434 8.243 -17.626 -4.910 1.00 0.00 C ATOM 1128 O HIS A 434 8.371 -16.440 -5.218 1.00 0.00 O ATOM 1129 CB HIS A 434 6.618 -19.297 -5.773 1.00 0.00 C ATOM 1130 CG HIS A 434 5.583 -18.268 -5.492 1.00 0.00 C ATOM 1131 ND1 HIS A 434 5.201 -17.296 -6.395 1.00 0.00 N ATOM 1132 CD2 HIS A 434 4.880 -17.997 -4.356 1.00 0.00 C ATOM 1133 CE1 HIS A 434 4.313 -16.491 -5.806 1.00 0.00 C ATOM 1134 NE2 HIS A 434 4.079 -16.873 -4.551 1.00 0.00 N ATOM 0 H HIS A 434 8.700 -20.663 -5.818 1.00 0.00 H new ATOM 0 HA HIS A 434 8.050 -18.233 -6.959 1.00 0.00 H new ATOM 0 HB2 HIS A 434 6.337 -19.855 -6.666 1.00 0.00 H new ATOM 0 HB3 HIS A 434 6.650 -20.009 -4.949 1.00 0.00 H new ATOM 0 HD2 HIS A 434 4.935 -18.568 -3.441 1.00 0.00 H new ATOM 0 HE1 HIS A 434 3.846 -15.642 -6.284 1.00 0.00 H new ATOM 0 HE2 HIS A 434 3.449 -16.437 -3.878 1.00 0.00 H new ATOM 1142 N LYS A 435 8.292 -18.053 -3.643 1.00 0.00 N ATOM 1143 CA LYS A 435 8.540 -17.132 -2.531 1.00 0.00 C ATOM 1144 C LYS A 435 9.907 -16.452 -2.642 1.00 0.00 C ATOM 1145 O LYS A 435 10.187 -15.498 -1.927 1.00 0.00 O ATOM 1146 CB LYS A 435 8.422 -17.836 -1.172 1.00 0.00 C ATOM 1147 CG LYS A 435 7.005 -18.326 -0.849 1.00 0.00 C ATOM 1148 CD LYS A 435 6.760 -19.756 -1.329 1.00 0.00 C ATOM 1149 CE LYS A 435 7.629 -20.756 -0.567 1.00 0.00 C ATOM 1150 NZ LYS A 435 7.391 -20.688 0.907 1.00 0.00 N ATOM 0 H LYS A 435 8.164 -19.026 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 435 7.768 -16.365 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 435 9.103 -18.687 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 435 8.747 -17.151 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 435 6.842 -18.274 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 435 6.278 -17.660 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 435 5.708 -20.011 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 435 6.973 -19.825 -2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 435 7.419 -21.765 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 435 8.680 -20.557 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 7.763 -21.548 1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 7.874 -19.854 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 6.370 -20.615 1.091 1.00 0.00 H new ATOM 1164 N ILE A 436 10.742 -16.936 -3.542 1.00 0.00 N ATOM 1165 CA ILE A 436 12.022 -16.320 -3.806 1.00 0.00 C ATOM 1166 C ILE A 436 11.877 -15.159 -4.795 1.00 0.00 C ATOM 1167 O ILE A 436 12.471 -14.097 -4.626 1.00 0.00 O ATOM 1168 CB ILE A 436 13.045 -17.363 -4.335 1.00 0.00 C ATOM 1169 CG1 ILE A 436 13.363 -18.426 -3.261 1.00 0.00 C ATOM 1170 CG2 ILE A 436 14.322 -16.697 -4.822 1.00 0.00 C ATOM 1171 CD1 ILE A 436 14.279 -19.529 -3.727 1.00 0.00 C ATOM 0 H ILE A 436 10.550 -17.764 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 436 12.400 -15.922 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 436 12.584 -17.864 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 436 13.817 -17.932 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 436 12.428 -18.868 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 436 15.014 -17.458 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 436 14.086 -16.006 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 436 14.783 -16.150 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 436 14.449 -20.230 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 436 13.820 -20.053 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 436 15.231 -19.102 -4.043 1.00 0.00 H new ATOM 1183 N GLU A 437 11.056 -15.362 -5.804 1.00 0.00 N ATOM 1184 CA GLU A 437 10.873 -14.382 -6.876 1.00 0.00 C ATOM 1185 C GLU A 437 9.951 -13.240 -6.455 1.00 0.00 C ATOM 1186 O GLU A 437 10.120 -12.115 -6.864 1.00 0.00 O ATOM 1187 CB GLU A 437 10.302 -15.047 -8.132 1.00 0.00 C ATOM 1188 CG GLU A 437 11.027 -16.327 -8.525 1.00 0.00 C ATOM 1189 CD GLU A 437 10.556 -16.896 -9.857 1.00 0.00 C ATOM 1190 OE1 GLU A 437 10.997 -16.398 -10.911 1.00 0.00 O ATOM 1191 OE2 GLU A 437 9.728 -17.845 -9.866 1.00 0.00 O ATOM 0 H GLU A 437 10.494 -16.206 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 437 11.859 -13.970 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 437 9.248 -15.272 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 437 10.352 -14.342 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 437 12.097 -16.129 -8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 437 10.880 -17.074 -7.745 1.00 0.00 H new ATOM 1198 N TYR A 438 8.964 -13.583 -5.628 1.00 0.00 N ATOM 1199 CA TYR A 438 7.957 -12.622 -5.173 1.00 0.00 C ATOM 1200 C TYR A 438 8.085 -12.412 -3.675 1.00 0.00 C ATOM 1201 O TYR A 438 8.184 -13.355 -2.899 1.00 0.00 O ATOM 1202 CB TYR A 438 6.543 -13.109 -5.512 1.00 0.00 C ATOM 1203 CG TYR A 438 6.268 -13.205 -7.001 1.00 0.00 C ATOM 1204 CD1 TYR A 438 6.713 -14.303 -7.754 1.00 0.00 C ATOM 1205 CD2 TYR A 438 5.559 -12.213 -7.661 1.00 0.00 C ATOM 1206 CE1 TYR A 438 6.450 -14.387 -9.115 1.00 0.00 C ATOM 1207 CE2 TYR A 438 5.299 -12.295 -9.015 1.00 0.00 C ATOM 1208 CZ TYR A 438 5.744 -13.385 -9.745 1.00 0.00 C ATOM 1209 OH TYR A 438 5.496 -13.470 -11.101 1.00 0.00 O ATOM 0 H TYR A 438 8.839 -14.525 -5.257 1.00 0.00 H new ATOM 0 HA TYR A 438 8.127 -11.676 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 438 6.388 -14.089 -5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 438 5.818 -12.432 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 438 7.267 -15.093 -7.269 1.00 0.00 H new ATOM 0 HD2 TYR A 438 5.203 -11.359 -7.105 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.799 -15.238 -9.680 1.00 0.00 H new ATOM 0 HE2 TYR A 438 4.747 -11.507 -9.506 1.00 0.00 H new ATOM 0 HH TYR A 438 4.986 -12.685 -11.390 1.00 0.00 H new ATOM 1219 N ARG A 439 8.093 -11.142 -3.270 1.00 0.00 N ATOM 1220 CA ARG A 439 8.148 -10.792 -1.852 1.00 0.00 C ATOM 1221 C ARG A 439 6.733 -10.823 -1.260 1.00 0.00 C ATOM 1222 O ARG A 439 5.820 -10.178 -1.775 1.00 0.00 O ATOM 1223 CB ARG A 439 8.810 -9.410 -1.626 1.00 0.00 C ATOM 1224 CG ARG A 439 8.145 -8.263 -2.379 1.00 0.00 C ATOM 1225 CD ARG A 439 8.936 -6.957 -2.244 1.00 0.00 C ATOM 1226 NE ARG A 439 8.160 -5.792 -2.645 1.00 0.00 N ATOM 1227 CZ ARG A 439 8.092 -4.646 -1.960 1.00 0.00 C ATOM 1228 NH1 ARG A 439 8.743 -4.511 -0.809 1.00 0.00 N ATOM 1229 NH2 ARG A 439 7.369 -3.644 -2.426 1.00 0.00 N ATOM 0 H ARG A 439 8.062 -10.342 -3.902 1.00 0.00 H new ATOM 0 HA ARG A 439 8.768 -11.529 -1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 439 8.797 -9.184 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 439 9.856 -9.468 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 439 8.054 -8.525 -3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 439 7.134 -8.116 -1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 439 9.259 -6.836 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 439 9.837 -7.017 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 439 7.629 -5.855 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 439 9.299 -5.284 -0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 439 8.687 -3.634 -0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 439 6.864 -3.746 -3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 439 7.315 -2.768 -1.905 1.00 0.00 H new ATOM 1243 N HIS A 440 6.569 -11.606 -0.207 1.00 0.00 N ATOM 1244 CA HIS A 440 5.269 -11.744 0.452 1.00 0.00 C ATOM 1245 C HIS A 440 5.244 -10.869 1.700 1.00 0.00 C ATOM 1246 O HIS A 440 5.555 -11.322 2.805 1.00 0.00 O ATOM 1247 CB HIS A 440 4.983 -13.213 0.772 1.00 0.00 C ATOM 1248 CG HIS A 440 4.937 -14.095 -0.444 1.00 0.00 C ATOM 1249 ND1 HIS A 440 6.024 -14.348 -1.248 1.00 0.00 N ATOM 1250 CD2 HIS A 440 3.898 -14.757 -0.999 1.00 0.00 C ATOM 1251 CE1 HIS A 440 5.625 -15.134 -2.252 1.00 0.00 C ATOM 1252 NE2 HIS A 440 4.340 -15.414 -2.155 1.00 0.00 N ATOM 0 H HIS A 440 7.316 -12.158 0.214 1.00 0.00 H new ATOM 0 HA HIS A 440 4.477 -11.407 -0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 440 5.750 -13.584 1.451 1.00 0.00 H new ATOM 0 HB3 HIS A 440 4.031 -13.283 1.298 1.00 0.00 H new ATOM 0 HD1 HIS A 440 6.970 -13.997 -1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 440 2.889 -14.777 -0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 440 6.270 -15.493 -3.040 1.00 0.00 H new ATOM 1260 N ASN A 441 4.880 -9.600 1.503 1.00 0.00 N ATOM 1261 CA ASN A 441 4.894 -8.619 2.573 1.00 0.00 C ATOM 1262 C ASN A 441 3.691 -8.779 3.485 1.00 0.00 C ATOM 1263 O ASN A 441 2.548 -8.966 3.010 1.00 0.00 O ATOM 1264 CB ASN A 441 4.892 -7.193 1.995 1.00 0.00 C ATOM 1265 CG ASN A 441 6.119 -6.895 1.127 1.00 0.00 C ATOM 1266 OD1 ASN A 441 5.954 -5.980 0.165 1.00 0.00 O flip ATOM 1267 ND2 ASN A 441 7.191 -7.457 1.316 1.00 0.00 N flip ATOM 0 H ASN A 441 4.571 -9.233 0.603 1.00 0.00 H new ATOM 0 HA ASN A 441 5.803 -8.784 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 441 3.990 -7.050 1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 441 4.851 -6.475 2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 441 7.280 -8.150 2.059 1.00 0.00 H new ATOM 0 HD22 ASN A 441 7.995 -7.232 0.730 1.00 0.00 H new ATOM 1274 N THR A 442 3.930 -8.715 4.779 1.00 0.00 N ATOM 1275 CA THR A 442 2.899 -8.737 5.784 1.00 0.00 C ATOM 1276 C THR A 442 2.812 -7.390 6.473 1.00 0.00 C ATOM 1277 O THR A 442 3.841 -6.800 6.823 1.00 0.00 O ATOM 1278 CB THR A 442 3.133 -9.837 6.839 1.00 0.00 C ATOM 1279 OG1 THR A 442 4.524 -9.922 7.174 1.00 0.00 O ATOM 1280 CG2 THR A 442 2.641 -11.181 6.336 1.00 0.00 C ATOM 0 H THR A 442 4.871 -8.645 5.165 1.00 0.00 H new ATOM 0 HA THR A 442 1.961 -8.958 5.274 1.00 0.00 H new ATOM 0 HB THR A 442 2.568 -9.572 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 442 4.656 -10.623 7.846 1.00 0.00 H new ATOM 0 HG21 THR A 442 2.817 -11.941 7.097 1.00 0.00 H new ATOM 0 HG22 THR A 442 1.574 -11.121 6.123 1.00 0.00 H new ATOM 0 HG23 THR A 442 3.178 -11.448 5.426 1.00 0.00 H new ATOM 1288 N LEU A 443 1.598 -6.878 6.625 1.00 0.00 N ATOM 1289 CA LEU A 443 1.369 -5.558 7.205 1.00 0.00 C ATOM 1290 C LEU A 443 0.000 -5.530 7.873 1.00 0.00 C ATOM 1291 O LEU A 443 -0.877 -6.337 7.533 1.00 0.00 O ATOM 1292 CB LEU A 443 1.546 -4.450 6.141 1.00 0.00 C ATOM 1293 CG LEU A 443 1.025 -4.768 4.731 1.00 0.00 C ATOM 1294 CD1 LEU A 443 -0.493 -4.924 4.709 1.00 0.00 C ATOM 1295 CD2 LEU A 443 1.454 -3.690 3.758 1.00 0.00 C ATOM 0 H LEU A 443 0.744 -7.364 6.351 1.00 0.00 H new ATOM 0 HA LEU A 443 2.115 -5.357 7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 443 1.042 -3.551 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 443 2.607 -4.213 6.068 1.00 0.00 H new ATOM 0 HG LEU A 443 1.459 -5.720 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -0.821 -5.148 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -0.785 -5.738 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -0.959 -3.997 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 443 1.078 -3.928 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 443 1.051 -2.729 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 443 2.542 -3.636 3.732 1.00 0.00 H new ATOM 1307 N PRO A 444 -0.207 -4.597 8.826 1.00 0.00 N ATOM 1308 CA PRO A 444 -1.462 -4.492 9.575 1.00 0.00 C ATOM 1309 C PRO A 444 -2.670 -4.251 8.654 1.00 0.00 C ATOM 1310 O PRO A 444 -3.801 -4.572 9.016 1.00 0.00 O ATOM 1311 CB PRO A 444 -1.253 -3.292 10.510 1.00 0.00 C ATOM 1312 CG PRO A 444 -0.107 -2.539 9.910 1.00 0.00 C ATOM 1313 CD PRO A 444 0.767 -3.585 9.275 1.00 0.00 C ATOM 0 HA PRO A 444 -1.683 -5.416 10.109 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -2.148 -2.673 10.566 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -1.026 -3.616 11.526 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -0.455 -1.816 9.172 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.438 -1.980 10.671 1.00 0.00 H new ATOM 0 HD2 PRO A 444 1.342 -3.180 8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 444 1.483 -4.000 9.985 1.00 0.00 H new ATOM 1321 N VAL A 445 -2.412 -3.674 7.467 1.00 0.00 N ATOM 1322 CA VAL A 445 -3.441 -3.410 6.454 1.00 0.00 C ATOM 1323 C VAL A 445 -4.657 -2.697 7.049 1.00 0.00 C ATOM 1324 O VAL A 445 -5.736 -2.674 6.454 1.00 0.00 O ATOM 1325 CB VAL A 445 -3.859 -4.710 5.701 1.00 0.00 C ATOM 1326 CG1 VAL A 445 -4.834 -5.580 6.509 1.00 0.00 C ATOM 1327 CG2 VAL A 445 -4.446 -4.358 4.301 1.00 0.00 C ATOM 0 H VAL A 445 -1.478 -3.377 7.185 1.00 0.00 H new ATOM 0 HA VAL A 445 -2.996 -2.737 5.721 1.00 0.00 H new ATOM 0 HB VAL A 445 -2.958 -5.308 5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -5.089 -6.470 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -4.365 -5.876 7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -5.740 -5.012 6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -4.734 -5.275 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -5.322 -3.720 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -3.694 -3.832 3.713 1.00 0.00 H new ATOM 1337 N ARG A 446 -4.447 -2.038 8.193 1.00 0.00 N ATOM 1338 CA ARG A 446 -5.515 -1.364 8.918 1.00 0.00 C ATOM 1339 C ARG A 446 -4.894 -0.445 9.977 1.00 0.00 C ATOM 1340 O ARG A 446 -3.878 -0.798 10.593 1.00 0.00 O ATOM 1341 CB ARG A 446 -6.428 -2.405 9.587 1.00 0.00 C ATOM 1342 CG ARG A 446 -7.666 -1.800 10.241 1.00 0.00 C ATOM 1343 CD ARG A 446 -8.411 -2.820 11.108 1.00 0.00 C ATOM 1344 NE ARG A 446 -9.626 -2.234 11.687 1.00 0.00 N ATOM 1345 CZ ARG A 446 -10.099 -2.546 12.881 1.00 0.00 C ATOM 1346 NH1 ARG A 446 -9.464 -3.424 13.668 1.00 0.00 N ATOM 1347 NH2 ARG A 446 -11.227 -1.973 13.302 1.00 0.00 N ATOM 0 H ARG A 446 -3.532 -1.960 8.637 1.00 0.00 H new ATOM 0 HA ARG A 446 -6.114 -0.770 8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -6.741 -3.135 8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -5.857 -2.946 10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -7.373 -0.948 10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -8.336 -1.422 9.469 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -8.674 -3.690 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -7.757 -3.170 11.906 1.00 0.00 H new ATOM 0 HE ARG A 446 -10.136 -1.545 11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -8.601 -3.864 13.349 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -9.844 -3.653 14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -11.713 -1.304 12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -11.604 -2.204 14.221 1.00 0.00 H new ATOM 1361 N ASN A 447 -5.506 0.732 10.144 1.00 0.00 N ATOM 1362 CA ASN A 447 -5.061 1.734 11.127 1.00 0.00 C ATOM 1363 C ASN A 447 -3.666 2.248 10.805 1.00 0.00 C ATOM 1364 O ASN A 447 -3.514 3.298 10.188 1.00 0.00 O ATOM 1365 CB ASN A 447 -5.096 1.154 12.560 1.00 0.00 C ATOM 1366 CG ASN A 447 -6.502 0.866 13.085 1.00 0.00 C ATOM 1367 OD1 ASN A 447 -7.406 0.590 12.311 1.00 0.00 O ATOM 1368 ND2 ASN A 447 -6.635 0.915 14.413 1.00 0.00 N ATOM 0 H ASN A 447 -6.322 1.020 9.604 1.00 0.00 H new ATOM 0 HA ASN A 447 -5.754 2.574 11.071 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -4.516 0.231 12.581 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -4.604 1.854 13.235 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -7.538 0.714 14.843 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -5.834 1.153 14.997 1.00 0.00 H new ATOM 1375 N VAL A 448 -2.650 1.496 11.245 1.00 0.00 N ATOM 1376 CA VAL A 448 -1.244 1.923 11.123 1.00 0.00 C ATOM 1377 C VAL A 448 -0.618 1.383 9.828 1.00 0.00 C ATOM 1378 O VAL A 448 -1.259 1.366 8.780 1.00 0.00 O ATOM 1379 CB VAL A 448 -0.396 1.458 12.317 1.00 0.00 C ATOM 1380 CG1 VAL A 448 -0.935 2.093 13.630 1.00 0.00 C ATOM 1381 CG2 VAL A 448 -0.373 -0.061 12.433 1.00 0.00 C ATOM 0 H VAL A 448 -2.772 0.586 11.690 1.00 0.00 H new ATOM 0 HA VAL A 448 -1.251 3.013 11.103 1.00 0.00 H new ATOM 0 HB VAL A 448 0.629 1.790 12.151 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -0.329 1.758 14.472 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -0.885 3.179 13.556 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -1.970 1.787 13.784 1.00 0.00 H new ATOM 0 HG21 VAL A 448 0.237 -0.351 13.289 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -1.389 -0.431 12.569 1.00 0.00 H new ATOM 0 HG23 VAL A 448 0.050 -0.489 11.524 1.00 0.00 H new