USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=20 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 108:sc= -17.7! USER MOD Set 1.2: A 427 CYS SG : rot 170:sc= -6.94! USER MOD Set 1.3: A 434 HIS : no HE2:sc= -7.44! C(o=-39!,f=-76!) USER MOD Set 1.4: A 440 HIS : no HD1:sc= -6.71! C(o=-39!,f=-73!) USER MOD Set 2.1: A 379 CYS SG : rot 108:sc= -6.23! USER MOD Set 2.2: A 385 CYS SG : rot -130:sc= -9.7! USER MOD Set 2.3: A 392 HIS : no HD1:sc= -6.96! C(o=-33!,f=-73!) USER MOD Set 2.4: A 398 HIS : no HD1:sc= -10.1! C(o=-33!,f=-69!) 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 380 MET CE :methyl -140:sc= -0.17 (180deg=-0.706) USER MOD Single : A 381 TYR OH : 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= -4.29! C(o=-4.3!,f=-10!) USER MOD Single : A 394 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.3) USER MOD Single : A 395 HIS : no HE2:sc= -5.94! C(o=-5.9!,f=-9.8!) USER MOD Single : A 397 SER OG : rot -96:sc= -1.3 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 -31:sc= 0.187 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -2.83! C(o=-2.8!,f=-2.8!) USER MOD Single : A 433 GLN : amide:sc= 0.245 X(o=0.25,f=-0.067) 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= -0.766 F(o=-3.4!,f=-0.77) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.00298 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -6.356 11.996 -7.293 1.00 0.00 N ATOM 257 CA ARG A 376 -5.037 11.859 -7.889 1.00 0.00 C ATOM 258 C ARG A 376 -4.118 11.069 -6.999 1.00 0.00 C ATOM 259 O ARG A 376 -4.412 10.848 -5.804 1.00 0.00 O ATOM 260 CB ARG A 376 -4.395 13.234 -8.180 1.00 0.00 C ATOM 261 CG ARG A 376 -4.996 13.979 -9.368 1.00 0.00 C ATOM 262 CD ARG A 376 -5.980 15.047 -8.926 1.00 0.00 C ATOM 263 NE ARG A 376 -5.316 16.108 -8.147 1.00 0.00 N ATOM 264 CZ ARG A 376 -5.676 17.388 -8.183 1.00 0.00 C ATOM 265 NH1 ARG A 376 -6.654 17.791 -8.980 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.044 18.293 -7.427 1.00 0.00 N ATOM 0 HA ARG A 376 -5.175 11.328 -8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.488 13.859 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.329 13.092 -8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.197 14.439 -9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.500 13.270 -10.024 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.461 15.484 -9.801 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.767 14.591 -8.325 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.535 15.845 -7.546 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.139 17.118 -9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -6.923 18.775 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.280 18.003 -6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -5.327 19.273 -7.461 1.00 0.00 H new ATOM 280 N THR A 377 -3.001 10.640 -7.563 1.00 0.00 N ATOM 281 CA THR A 377 -1.962 9.920 -6.834 1.00 0.00 C ATOM 282 C THR A 377 -0.610 10.514 -7.203 1.00 0.00 C ATOM 283 O THR A 377 -0.503 11.248 -8.185 1.00 0.00 O ATOM 284 CB THR A 377 -1.991 8.393 -7.162 1.00 0.00 C ATOM 285 OG1 THR A 377 -1.076 7.676 -6.324 1.00 0.00 O ATOM 286 CG2 THR A 377 -1.647 8.112 -8.623 1.00 0.00 C ATOM 0 H THR A 377 -2.785 10.782 -8.550 1.00 0.00 H new ATOM 0 HA THR A 377 -2.139 10.026 -5.764 1.00 0.00 H new ATOM 0 HB THR A 377 -3.010 8.054 -6.975 1.00 0.00 H new ATOM 0 HG1 THR A 377 -1.110 6.722 -6.544 1.00 0.00 H new ATOM 0 HG21 THR A 377 -1.680 7.038 -8.804 1.00 0.00 H new ATOM 0 HG22 THR A 377 -2.369 8.611 -9.269 1.00 0.00 H new ATOM 0 HG23 THR A 377 -0.646 8.486 -8.840 1.00 0.00 H new ATOM 294 N SER A 378 0.407 10.242 -6.401 1.00 0.00 N ATOM 295 CA SER A 378 1.736 10.830 -6.585 1.00 0.00 C ATOM 296 C SER A 378 2.252 10.567 -8.002 1.00 0.00 C ATOM 297 O SER A 378 2.428 9.434 -8.419 1.00 0.00 O ATOM 298 CB SER A 378 2.693 10.282 -5.542 1.00 0.00 C ATOM 299 OG SER A 378 2.144 10.361 -4.224 1.00 0.00 O ATOM 0 H SER A 378 0.341 9.609 -5.604 1.00 0.00 H new ATOM 0 HA SER A 378 1.666 11.910 -6.454 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.930 9.244 -5.776 1.00 0.00 H new ATOM 0 HB3 SER A 378 3.629 10.839 -5.580 1.00 0.00 H new ATOM 0 HG SER A 378 2.787 9.998 -3.580 1.00 0.00 H new ATOM 305 N CYS A 379 2.474 11.672 -8.761 1.00 0.00 N ATOM 306 CA CYS A 379 3.066 11.615 -10.106 1.00 0.00 C ATOM 307 C CYS A 379 4.357 10.796 -10.050 1.00 0.00 C ATOM 308 O CYS A 379 5.279 11.158 -9.319 1.00 0.00 O ATOM 309 CB CYS A 379 3.301 13.037 -10.606 1.00 0.00 C ATOM 310 SG CYS A 379 3.841 13.220 -12.357 1.00 0.00 S ATOM 0 H CYS A 379 2.246 12.617 -8.452 1.00 0.00 H new ATOM 0 HA CYS A 379 2.394 11.123 -10.810 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.378 13.601 -10.474 1.00 0.00 H new ATOM 0 HB3 CYS A 379 4.052 13.502 -9.968 1.00 0.00 H new ATOM 0 HG CYS A 379 2.866 13.713 -13.062 1.00 0.00 H new ATOM 315 N MET A 380 4.416 9.715 -10.824 1.00 0.00 N ATOM 316 CA MET A 380 5.580 8.801 -10.787 1.00 0.00 C ATOM 317 C MET A 380 6.866 9.537 -11.131 1.00 0.00 C ATOM 318 O MET A 380 7.967 9.113 -10.777 1.00 0.00 O ATOM 319 CB MET A 380 5.381 7.630 -11.765 1.00 0.00 C ATOM 320 CG MET A 380 5.349 8.052 -13.232 1.00 0.00 C ATOM 321 SD MET A 380 5.114 6.642 -14.331 1.00 0.00 S ATOM 322 CE MET A 380 6.591 5.647 -13.966 1.00 0.00 C ATOM 0 H MET A 380 3.685 9.443 -11.482 1.00 0.00 H new ATOM 0 HA MET A 380 5.660 8.412 -9.772 1.00 0.00 H new ATOM 0 HB2 MET A 380 6.185 6.908 -11.622 1.00 0.00 H new ATOM 0 HB3 MET A 380 4.448 7.121 -11.523 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.544 8.771 -13.386 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.281 8.558 -13.485 1.00 0.00 H new ATOM 0 HE1 MET A 380 6.982 5.224 -14.891 1.00 0.00 H new ATOM 0 HE2 MET A 380 7.351 6.279 -13.506 1.00 0.00 H new ATOM 0 HE3 MET A 380 6.327 4.841 -13.282 1.00 0.00 H new ATOM 332 N TYR A 381 6.757 10.660 -11.846 1.00 0.00 N ATOM 333 CA TYR A 381 7.910 11.506 -12.154 1.00 0.00 C ATOM 334 C TYR A 381 7.905 12.735 -11.257 1.00 0.00 C ATOM 335 O TYR A 381 8.910 13.420 -11.144 1.00 0.00 O ATOM 336 CB TYR A 381 7.896 11.915 -13.632 1.00 0.00 C ATOM 337 CG TYR A 381 7.988 10.764 -14.612 1.00 0.00 C ATOM 338 CD1 TYR A 381 9.020 9.830 -14.534 1.00 0.00 C ATOM 339 CD2 TYR A 381 7.062 10.624 -15.646 1.00 0.00 C ATOM 340 CE1 TYR A 381 9.105 8.789 -15.449 1.00 0.00 C ATOM 341 CE2 TYR A 381 7.142 9.599 -16.558 1.00 0.00 C ATOM 342 CZ TYR A 381 8.169 8.674 -16.456 1.00 0.00 C ATOM 343 OH TYR A 381 8.263 7.648 -17.363 1.00 0.00 O ATOM 0 H TYR A 381 5.875 11.005 -12.224 1.00 0.00 H new ATOM 0 HA TYR A 381 8.823 10.940 -11.967 1.00 0.00 H new ATOM 0 HB2 TYR A 381 6.980 12.471 -13.832 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.728 12.595 -13.814 1.00 0.00 H new ATOM 0 HD1 TYR A 381 9.761 9.917 -13.753 1.00 0.00 H new ATOM 0 HD2 TYR A 381 6.259 11.342 -15.732 1.00 0.00 H new ATOM 0 HE1 TYR A 381 9.905 8.068 -15.372 1.00 0.00 H new ATOM 0 HE2 TYR A 381 6.410 9.515 -17.348 1.00 0.00 H new ATOM 0 HH TYR A 381 7.526 7.711 -18.005 1.00 0.00 H new ATOM 353 N GLY A 382 6.762 13.011 -10.618 1.00 0.00 N ATOM 354 CA GLY A 382 6.667 14.187 -9.781 1.00 0.00 C ATOM 355 C GLY A 382 6.809 15.434 -10.598 1.00 0.00 C ATOM 356 O GLY A 382 6.208 15.551 -11.666 1.00 0.00 O ATOM 0 H GLY A 382 5.915 12.445 -10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.708 14.194 -9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.443 14.158 -9.016 1.00 0.00 H new ATOM 360 N ALA A 383 7.659 16.349 -10.144 1.00 0.00 N ATOM 361 CA ALA A 383 7.926 17.596 -10.853 1.00 0.00 C ATOM 362 C ALA A 383 8.828 17.362 -12.061 1.00 0.00 C ATOM 363 O ALA A 383 9.094 18.275 -12.826 1.00 0.00 O ATOM 364 CB ALA A 383 8.546 18.630 -9.916 1.00 0.00 C ATOM 0 H ALA A 383 8.182 16.247 -9.274 1.00 0.00 H new ATOM 0 HA ALA A 383 6.973 17.983 -11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 383 8.737 19.552 -10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.860 18.833 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 383 9.485 18.244 -9.518 1.00 0.00 H new ATOM 370 N ASN A 384 9.296 16.121 -12.211 1.00 0.00 N ATOM 371 CA ASN A 384 10.223 15.752 -13.278 1.00 0.00 C ATOM 372 C ASN A 384 9.481 15.369 -14.569 1.00 0.00 C ATOM 373 O ASN A 384 10.122 15.116 -15.610 1.00 0.00 O ATOM 374 CB ASN A 384 11.128 14.580 -12.832 1.00 0.00 C ATOM 375 CG ASN A 384 11.910 14.910 -11.596 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.021 15.450 -11.664 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.359 14.588 -10.434 1.00 0.00 N ATOM 0 H ASN A 384 9.043 15.347 -11.597 1.00 0.00 H new ATOM 0 HA ASN A 384 10.840 16.626 -13.486 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.514 13.698 -12.647 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.816 14.326 -13.639 1.00 0.00 H new ATOM 0 HD21 ASN A 384 11.853 14.785 -9.563 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.441 14.144 -10.411 1.00 0.00 H new ATOM 384 N CYS A 385 8.148 15.315 -14.518 1.00 0.00 N ATOM 385 CA CYS A 385 7.373 15.031 -15.712 1.00 0.00 C ATOM 386 C CYS A 385 7.194 16.269 -16.562 1.00 0.00 C ATOM 387 O CYS A 385 6.674 17.290 -16.114 1.00 0.00 O ATOM 388 CB CYS A 385 6.017 14.410 -15.361 1.00 0.00 C ATOM 389 SG CYS A 385 5.069 15.275 -14.062 1.00 0.00 S ATOM 0 H CYS A 385 7.596 15.463 -13.673 1.00 0.00 H new ATOM 0 HA CYS A 385 7.934 14.303 -16.297 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.410 14.372 -16.265 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.180 13.380 -15.043 1.00 0.00 H new ATOM 0 HG CYS A 385 4.683 14.419 -13.163 1.00 0.00 H new ATOM 394 N TYR A 386 7.618 16.172 -17.825 1.00 0.00 N ATOM 395 CA TYR A 386 7.533 17.269 -18.781 1.00 0.00 C ATOM 396 C TYR A 386 6.130 17.349 -19.402 1.00 0.00 C ATOM 397 O TYR A 386 5.889 18.063 -20.375 1.00 0.00 O ATOM 398 CB TYR A 386 8.594 17.100 -19.880 1.00 0.00 C ATOM 399 CG TYR A 386 8.797 15.673 -20.351 1.00 0.00 C ATOM 400 CD1 TYR A 386 7.938 15.118 -21.313 1.00 0.00 C ATOM 401 CD2 TYR A 386 9.803 14.879 -19.844 1.00 0.00 C ATOM 402 CE1 TYR A 386 8.113 13.808 -21.722 1.00 0.00 C ATOM 403 CE2 TYR A 386 9.982 13.573 -20.246 1.00 0.00 C ATOM 404 CZ TYR A 386 9.119 13.039 -21.201 1.00 0.00 C ATOM 405 OH TYR A 386 9.279 11.733 -21.602 1.00 0.00 O ATOM 0 H TYR A 386 8.032 15.323 -18.211 1.00 0.00 H new ATOM 0 HA TYR A 386 7.722 18.201 -18.248 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.312 17.714 -20.735 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.545 17.485 -19.511 1.00 0.00 H new ATOM 0 HD1 TYR A 386 7.141 15.713 -21.733 1.00 0.00 H new ATOM 0 HD2 TYR A 386 10.474 15.294 -19.107 1.00 0.00 H new ATOM 0 HE1 TYR A 386 7.448 13.387 -22.461 1.00 0.00 H new ATOM 0 HE2 TYR A 386 10.777 12.974 -19.828 1.00 0.00 H new ATOM 0 HH TYR A 386 10.042 11.337 -21.131 1.00 0.00 H new ATOM 415 N ARG A 387 5.198 16.585 -18.821 1.00 0.00 N ATOM 416 CA ARG A 387 3.792 16.649 -19.230 1.00 0.00 C ATOM 417 C ARG A 387 3.114 17.797 -18.503 1.00 0.00 C ATOM 418 O ARG A 387 3.116 17.855 -17.279 1.00 0.00 O ATOM 419 CB ARG A 387 3.083 15.322 -18.902 1.00 0.00 C ATOM 420 CG ARG A 387 3.626 14.128 -19.659 1.00 0.00 C ATOM 421 CD ARG A 387 3.444 14.261 -21.170 1.00 0.00 C ATOM 422 NE ARG A 387 2.033 14.377 -21.552 1.00 0.00 N ATOM 423 CZ ARG A 387 1.601 14.867 -22.729 1.00 0.00 C ATOM 424 NH1 ARG A 387 2.484 15.268 -23.633 1.00 0.00 N ATOM 425 NH2 ARG A 387 0.303 14.940 -22.982 1.00 0.00 N ATOM 0 H ARG A 387 5.391 15.920 -18.072 1.00 0.00 H new ATOM 0 HA ARG A 387 3.734 16.815 -20.306 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.170 15.131 -17.832 1.00 0.00 H new ATOM 0 HB3 ARG A 387 2.021 15.426 -19.122 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.686 14.010 -19.433 1.00 0.00 H new ATOM 0 HG3 ARG A 387 3.124 13.224 -19.314 1.00 0.00 H new ATOM 0 HD2 ARG A 387 3.987 15.137 -21.523 1.00 0.00 H new ATOM 0 HD3 ARG A 387 3.882 13.394 -21.664 1.00 0.00 H new ATOM 0 HE ARG A 387 1.331 14.065 -20.880 1.00 0.00 H new ATOM 0 HH11 ARG A 387 3.482 15.204 -23.434 1.00 0.00 H new ATOM 0 HH12 ARG A 387 2.165 15.640 -24.527 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -0.371 14.625 -22.284 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -0.023 15.312 -23.874 1.00 0.00 H new ATOM 439 N LYS A 388 2.523 18.699 -19.287 1.00 0.00 N ATOM 440 CA LYS A 388 1.891 19.901 -18.738 1.00 0.00 C ATOM 441 C LYS A 388 0.394 19.866 -19.031 1.00 0.00 C ATOM 442 O LYS A 388 -0.370 20.722 -18.562 1.00 0.00 O ATOM 443 CB LYS A 388 2.523 21.169 -19.332 1.00 0.00 C ATOM 444 CG LYS A 388 2.420 21.290 -20.851 1.00 0.00 C ATOM 445 CD LYS A 388 3.538 20.537 -21.559 1.00 0.00 C ATOM 446 CE LYS A 388 3.390 20.616 -23.069 1.00 0.00 C ATOM 447 NZ LYS A 388 4.513 19.982 -23.800 1.00 0.00 N ATOM 0 H LYS A 388 2.468 18.621 -20.303 1.00 0.00 H new ATOM 0 HA LYS A 388 2.047 19.922 -17.659 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.048 22.040 -18.880 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.576 21.198 -19.051 1.00 0.00 H new ATOM 0 HG2 LYS A 388 1.456 20.903 -21.181 1.00 0.00 H new ATOM 0 HG3 LYS A 388 2.455 22.342 -21.134 1.00 0.00 H new ATOM 0 HD2 LYS A 388 4.502 20.952 -21.264 1.00 0.00 H new ATOM 0 HD3 LYS A 388 3.531 19.493 -21.245 1.00 0.00 H new ATOM 0 HE2 LYS A 388 2.457 20.135 -23.362 1.00 0.00 H new ATOM 0 HE3 LYS A 388 3.316 21.662 -23.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 4.354 20.069 -24.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.404 20.456 -23.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.571 18.976 -23.543 1.00 0.00 H new ATOM 461 N ASN A 389 -0.011 18.857 -19.791 1.00 0.00 N ATOM 462 CA ASN A 389 -1.410 18.635 -20.104 1.00 0.00 C ATOM 463 C ASN A 389 -2.212 18.447 -18.824 1.00 0.00 C ATOM 464 O ASN A 389 -1.778 17.724 -17.930 1.00 0.00 O ATOM 465 CB ASN A 389 -1.580 17.410 -21.032 1.00 0.00 C ATOM 466 CG ASN A 389 -1.007 16.129 -20.438 1.00 0.00 C ATOM 467 OD1 ASN A 389 -0.040 16.156 -19.683 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.603 15.002 -20.776 1.00 0.00 N ATOM 0 H ASN A 389 0.622 18.173 -20.205 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.787 19.513 -20.629 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.640 17.264 -21.242 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -1.091 17.612 -21.985 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.262 14.114 -20.407 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.405 15.018 -21.406 1.00 0.00 H new ATOM 475 N PRO A 390 -3.404 19.059 -18.746 1.00 0.00 N ATOM 476 CA PRO A 390 -4.212 19.039 -17.526 1.00 0.00 C ATOM 477 C PRO A 390 -4.571 17.619 -17.127 1.00 0.00 C ATOM 478 O PRO A 390 -4.812 17.320 -15.959 1.00 0.00 O ATOM 479 CB PRO A 390 -5.461 19.842 -17.894 1.00 0.00 C ATOM 480 CG PRO A 390 -5.496 19.836 -19.390 1.00 0.00 C ATOM 481 CD PRO A 390 -4.060 19.794 -19.840 1.00 0.00 C ATOM 0 HA PRO A 390 -3.683 19.458 -16.670 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.360 19.388 -17.476 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.406 20.858 -17.504 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -6.047 18.973 -19.764 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.998 20.725 -19.772 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -3.949 19.282 -20.796 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.644 20.794 -19.964 1.00 0.00 H new ATOM 489 N VAL A 391 -4.568 16.730 -18.114 1.00 0.00 N ATOM 490 CA VAL A 391 -4.903 15.345 -17.889 1.00 0.00 C ATOM 491 C VAL A 391 -3.858 14.662 -17.014 1.00 0.00 C ATOM 492 O VAL A 391 -4.202 13.918 -16.101 1.00 0.00 O ATOM 493 CB VAL A 391 -5.088 14.588 -19.231 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.342 13.070 -18.987 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.251 15.193 -20.003 1.00 0.00 C ATOM 0 H VAL A 391 -4.334 16.955 -19.081 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.854 15.316 -17.357 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.172 14.688 -19.813 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.468 12.564 -19.944 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.492 12.639 -18.458 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.244 12.944 -18.388 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.379 14.660 -20.945 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.163 15.109 -19.412 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.045 16.244 -20.206 1.00 0.00 H new ATOM 505 N HIS A 392 -2.569 14.948 -17.280 1.00 0.00 N ATOM 506 CA HIS A 392 -1.504 14.375 -16.467 1.00 0.00 C ATOM 507 C HIS A 392 -1.734 14.685 -14.992 1.00 0.00 C ATOM 508 O HIS A 392 -1.478 13.854 -14.121 1.00 0.00 O ATOM 509 CB HIS A 392 -0.128 14.910 -16.902 1.00 0.00 C ATOM 510 CG HIS A 392 1.027 14.389 -16.077 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.395 13.065 -16.026 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.893 15.043 -15.250 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.445 12.954 -15.192 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.784 14.127 -14.696 1.00 0.00 N ATOM 0 H HIS A 392 -2.255 15.558 -18.035 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.518 13.295 -16.612 1.00 0.00 H new ATOM 0 HB2 HIS A 392 0.038 14.647 -17.947 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.139 15.998 -16.845 1.00 0.00 H new ATOM 0 HD2 HIS A 392 1.888 16.105 -15.055 1.00 0.00 H new ATOM 0 HE1 HIS A 392 2.945 12.025 -14.959 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.542 14.323 -14.042 1.00 0.00 H new ATOM 522 N PHE A 393 -2.277 15.870 -14.759 1.00 0.00 N ATOM 523 CA PHE A 393 -2.492 16.374 -13.417 1.00 0.00 C ATOM 524 C PHE A 393 -3.847 15.926 -12.882 1.00 0.00 C ATOM 525 O PHE A 393 -4.031 15.826 -11.654 1.00 0.00 O ATOM 526 CB PHE A 393 -2.371 17.903 -13.397 1.00 0.00 C ATOM 527 CG PHE A 393 -1.015 18.418 -13.784 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.564 18.348 -15.100 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.169 18.979 -12.826 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.674 18.821 -15.453 1.00 0.00 C ATOM 531 CE2 PHE A 393 1.085 19.456 -13.183 1.00 0.00 C ATOM 532 CZ PHE A 393 1.502 19.371 -14.507 1.00 0.00 C ATOM 0 H PHE A 393 -2.580 16.507 -15.496 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.723 15.961 -12.764 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.114 18.324 -14.074 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.612 18.262 -12.396 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.201 17.913 -15.856 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.493 19.043 -11.798 1.00 0.00 H new ATOM 0 HE1 PHE A 393 0.999 18.760 -16.481 1.00 0.00 H new ATOM 0 HE2 PHE A 393 1.733 19.891 -12.437 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.477 19.738 -14.791 1.00 0.00 H new ATOM 542 N GLN A 394 -4.791 15.620 -13.778 1.00 0.00 N ATOM 543 CA GLN A 394 -6.150 15.229 -13.345 1.00 0.00 C ATOM 544 C GLN A 394 -6.149 13.822 -12.744 1.00 0.00 C ATOM 545 O GLN A 394 -7.051 13.475 -12.001 1.00 0.00 O ATOM 546 CB GLN A 394 -7.160 15.355 -14.510 1.00 0.00 C ATOM 547 CG GLN A 394 -7.185 14.184 -15.510 1.00 0.00 C ATOM 548 CD GLN A 394 -8.197 13.114 -15.175 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.900 12.125 -14.512 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.425 13.308 -15.618 1.00 0.00 N ATOM 0 H GLN A 394 -4.651 15.632 -14.788 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.470 15.917 -12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.159 15.468 -14.088 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -6.940 16.271 -15.058 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.399 14.574 -16.505 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.194 13.733 -15.551 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.644 14.139 -16.167 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -10.155 12.627 -15.411 1.00 0.00 H new ATOM 559 N HIS A 395 -5.122 13.025 -13.060 1.00 0.00 N ATOM 560 CA HIS A 395 -4.987 11.685 -12.479 1.00 0.00 C ATOM 561 C HIS A 395 -3.700 11.534 -11.645 1.00 0.00 C ATOM 562 O HIS A 395 -3.534 10.537 -10.944 1.00 0.00 O ATOM 563 CB HIS A 395 -5.110 10.550 -13.541 1.00 0.00 C ATOM 564 CG HIS A 395 -4.512 10.839 -14.889 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.194 11.168 -15.082 1.00 0.00 N ATOM 566 CD2 HIS A 395 -5.057 10.776 -16.125 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.952 11.286 -16.364 1.00 0.00 C ATOM 568 NE2 HIS A 395 -4.059 11.058 -17.031 1.00 0.00 N ATOM 0 H HIS A 395 -4.378 13.282 -13.709 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.831 11.574 -11.798 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.637 9.653 -13.141 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.167 10.320 -13.677 1.00 0.00 H new ATOM 0 HD1 HIS A 395 -2.507 11.301 -14.340 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -6.086 10.547 -16.359 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -1.996 11.531 -16.802 1.00 0.00 H new ATOM 577 N PHE A 396 -2.814 12.530 -11.701 1.00 0.00 N ATOM 578 CA PHE A 396 -1.594 12.511 -10.870 1.00 0.00 C ATOM 579 C PHE A 396 -1.325 13.888 -10.273 1.00 0.00 C ATOM 580 O PHE A 396 -1.248 14.893 -10.986 1.00 0.00 O ATOM 581 CB PHE A 396 -0.368 12.065 -11.688 1.00 0.00 C ATOM 582 CG PHE A 396 -0.395 10.613 -12.077 1.00 0.00 C ATOM 583 CD1 PHE A 396 0.129 9.649 -11.233 1.00 0.00 C ATOM 584 CD2 PHE A 396 -0.915 10.209 -13.285 1.00 0.00 C ATOM 585 CE1 PHE A 396 0.111 8.324 -11.591 1.00 0.00 C ATOM 586 CE2 PHE A 396 -0.936 8.886 -13.659 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.426 7.935 -12.803 1.00 0.00 C ATOM 0 H PHE A 396 -2.909 13.350 -12.300 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.761 11.794 -10.066 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.304 12.672 -12.591 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.534 12.260 -11.109 1.00 0.00 H new ATOM 0 HD1 PHE A 396 0.556 9.942 -10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -1.318 10.951 -13.958 1.00 0.00 H new ATOM 0 HE1 PHE A 396 0.519 7.581 -10.921 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -1.348 8.596 -14.614 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.446 6.891 -13.078 1.00 0.00 H new ATOM 597 N SER A 397 -1.153 13.927 -8.954 1.00 0.00 N ATOM 598 CA SER A 397 -0.791 15.158 -8.261 1.00 0.00 C ATOM 599 C SER A 397 0.727 15.339 -8.277 1.00 0.00 C ATOM 600 O SER A 397 1.471 14.374 -8.447 1.00 0.00 O ATOM 601 CB SER A 397 -1.296 15.130 -6.817 1.00 0.00 C ATOM 602 OG SER A 397 -2.710 15.247 -6.772 1.00 0.00 O ATOM 0 H SER A 397 -1.259 13.117 -8.343 1.00 0.00 H new ATOM 0 HA SER A 397 -1.258 15.997 -8.777 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.989 14.200 -6.338 1.00 0.00 H new ATOM 0 HB3 SER A 397 -0.842 15.944 -6.253 1.00 0.00 H new ATOM 0 HG SER A 397 -2.956 16.184 -6.623 1.00 0.00 H new ATOM 608 N HIS A 398 1.167 16.566 -8.081 1.00 0.00 N ATOM 609 CA HIS A 398 2.582 16.907 -8.184 1.00 0.00 C ATOM 610 C HIS A 398 3.054 17.651 -6.934 1.00 0.00 C ATOM 611 O HIS A 398 2.254 18.298 -6.263 1.00 0.00 O ATOM 612 CB HIS A 398 2.814 17.751 -9.434 1.00 0.00 C ATOM 613 CG HIS A 398 2.598 16.956 -10.683 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.377 16.433 -11.043 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.480 16.533 -11.622 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.555 15.695 -12.148 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.813 15.731 -12.548 1.00 0.00 N ATOM 0 H HIS A 398 0.563 17.354 -7.847 1.00 0.00 H new ATOM 0 HA HIS A 398 3.163 15.988 -8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.140 18.607 -9.426 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.830 18.145 -9.424 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.531 16.778 -11.649 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.772 15.143 -12.646 1.00 0.00 H new ATOM 0 HE2 HIS A 398 3.214 15.269 -13.364 1.00 0.00 H new ATOM 625 N PRO A 399 4.361 17.553 -6.600 1.00 0.00 N ATOM 626 CA PRO A 399 4.900 18.126 -5.357 1.00 0.00 C ATOM 627 C PRO A 399 4.508 19.585 -5.164 1.00 0.00 C ATOM 628 O PRO A 399 4.945 20.463 -5.917 1.00 0.00 O ATOM 629 CB PRO A 399 6.424 17.992 -5.525 1.00 0.00 C ATOM 630 CG PRO A 399 6.619 17.694 -6.977 1.00 0.00 C ATOM 631 CD PRO A 399 5.414 16.904 -7.384 1.00 0.00 C ATOM 0 HA PRO A 399 4.510 17.614 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.937 18.910 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.823 17.194 -4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.702 18.612 -7.559 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.535 17.127 -7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.225 16.967 -8.456 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.515 15.847 -7.139 1.00 0.00 H new ATOM 639 N GLY A 400 3.680 19.828 -4.160 1.00 0.00 N ATOM 640 CA GLY A 400 3.175 21.163 -3.888 1.00 0.00 C ATOM 641 C GLY A 400 1.673 21.240 -4.023 1.00 0.00 C ATOM 642 O GLY A 400 1.064 22.278 -3.735 1.00 0.00 O ATOM 0 H GLY A 400 3.342 19.112 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 400 3.464 21.461 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.637 21.872 -4.575 1.00 0.00 H new ATOM 646 N ASP A 401 1.058 20.137 -4.474 1.00 0.00 N ATOM 647 CA ASP A 401 -0.393 20.086 -4.673 1.00 0.00 C ATOM 648 C ASP A 401 -1.068 19.476 -3.440 1.00 0.00 C ATOM 649 O ASP A 401 -0.525 18.585 -2.789 1.00 0.00 O ATOM 650 CB ASP A 401 -0.729 19.258 -5.933 1.00 0.00 C ATOM 651 CG ASP A 401 -2.220 19.082 -6.138 1.00 0.00 C ATOM 652 OD1 ASP A 401 -2.895 20.054 -6.557 1.00 0.00 O ATOM 653 OD2 ASP A 401 -2.732 17.965 -5.907 1.00 0.00 O ATOM 0 H ASP A 401 1.544 19.271 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 401 -0.767 21.100 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.301 19.747 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.259 18.278 -5.854 1.00 0.00 H new ATOM 658 N SER A 402 -2.270 19.968 -3.122 1.00 0.00 N ATOM 659 CA SER A 402 -2.992 19.532 -1.913 1.00 0.00 C ATOM 660 C SER A 402 -3.219 18.022 -1.917 1.00 0.00 C ATOM 661 O SER A 402 -3.247 17.393 -0.863 1.00 0.00 O ATOM 662 CB SER A 402 -4.337 20.268 -1.838 1.00 0.00 C ATOM 663 OG SER A 402 -5.066 19.896 -0.661 1.00 0.00 O ATOM 0 H SER A 402 -2.765 20.665 -3.679 1.00 0.00 H new ATOM 0 HA SER A 402 -2.388 19.773 -1.039 1.00 0.00 H new ATOM 0 HB2 SER A 402 -4.166 21.345 -1.838 1.00 0.00 H new ATOM 0 HB3 SER A 402 -4.930 20.039 -2.724 1.00 0.00 H new ATOM 0 HG SER A 402 -5.918 20.380 -0.637 1.00 0.00 H new ATOM 669 N ASP A 403 -3.364 17.436 -3.112 1.00 0.00 N ATOM 670 CA ASP A 403 -3.701 16.013 -3.217 1.00 0.00 C ATOM 671 C ASP A 403 -2.436 15.166 -3.370 1.00 0.00 C ATOM 672 O ASP A 403 -2.531 13.942 -3.516 1.00 0.00 O ATOM 673 CB ASP A 403 -4.647 15.767 -4.410 1.00 0.00 C ATOM 674 CG ASP A 403 -5.974 16.487 -4.238 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.849 15.973 -3.509 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.157 17.570 -4.820 1.00 0.00 O ATOM 0 H ASP A 403 -3.255 17.916 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 403 -4.209 15.718 -2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.168 16.104 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.826 14.697 -4.517 1.00 0.00 H new ATOM 681 N TYR A 404 -1.280 15.805 -3.331 1.00 0.00 N ATOM 682 CA TYR A 404 -0.022 15.076 -3.434 1.00 0.00 C ATOM 683 C TYR A 404 0.361 14.513 -2.067 1.00 0.00 C ATOM 684 O TYR A 404 -0.033 15.052 -1.029 1.00 0.00 O ATOM 685 CB TYR A 404 1.110 16.012 -3.941 1.00 0.00 C ATOM 686 CG TYR A 404 2.405 15.301 -4.297 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.542 14.602 -5.489 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.511 15.332 -3.447 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.719 13.961 -5.837 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.690 14.698 -3.772 1.00 0.00 C ATOM 691 CZ TYR A 404 4.801 14.018 -4.964 1.00 0.00 C ATOM 692 OH TYR A 404 5.977 13.378 -5.309 1.00 0.00 O ATOM 0 H TYR A 404 -1.183 16.815 -3.230 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.151 14.260 -4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.753 16.550 -4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.319 16.757 -3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.703 14.557 -6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.441 15.866 -2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.796 13.425 -6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.528 14.734 -3.091 1.00 0.00 H new ATOM 0 HH TYR A 404 6.641 13.509 -4.600 1.00 0.00 H new ATOM 849 N ASP A 416 16.322 2.189 -4.376 1.00 0.00 N ATOM 850 CA ASP A 416 16.253 0.740 -4.600 1.00 0.00 C ATOM 851 C ASP A 416 15.932 0.004 -3.296 1.00 0.00 C ATOM 852 O ASP A 416 15.513 -1.148 -3.299 1.00 0.00 O ATOM 853 CB ASP A 416 17.585 0.244 -5.181 1.00 0.00 C ATOM 854 CG ASP A 416 17.452 -1.027 -6.005 1.00 0.00 C ATOM 855 OD1 ASP A 416 17.054 -2.083 -5.460 1.00 0.00 O ATOM 856 OD2 ASP A 416 17.783 -0.994 -7.201 1.00 0.00 O ATOM 0 HA ASP A 416 15.453 0.532 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 416 18.015 1.028 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 416 18.285 0.066 -4.364 1.00 0.00 H new ATOM 861 N ASP A 417 16.157 0.720 -2.186 1.00 0.00 N ATOM 862 CA ASP A 417 15.850 0.261 -0.830 1.00 0.00 C ATOM 863 C ASP A 417 16.930 -0.689 -0.339 1.00 0.00 C ATOM 864 O ASP A 417 16.668 -1.846 0.024 1.00 0.00 O ATOM 865 CB ASP A 417 14.453 -0.386 -0.739 1.00 0.00 C ATOM 866 CG ASP A 417 14.059 -0.707 0.699 1.00 0.00 C ATOM 867 OD1 ASP A 417 14.111 0.211 1.551 1.00 0.00 O ATOM 868 OD2 ASP A 417 13.664 -1.845 0.971 1.00 0.00 O ATOM 0 H ASP A 417 16.566 1.654 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 417 15.833 1.135 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 417 13.714 0.286 -1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 417 14.439 -1.301 -1.331 1.00 0.00 H new ATOM 873 N ARG A 418 18.151 -0.172 -0.333 1.00 0.00 N ATOM 874 CA ARG A 418 19.318 -0.872 0.146 1.00 0.00 C ATOM 875 C ARG A 418 20.524 0.072 0.097 1.00 0.00 C ATOM 876 O ARG A 418 20.522 1.019 -0.691 1.00 0.00 O ATOM 877 CB ARG A 418 19.585 -2.130 -0.703 1.00 0.00 C ATOM 878 CG ARG A 418 19.597 -1.856 -2.192 1.00 0.00 C ATOM 879 CD ARG A 418 19.899 -3.113 -2.995 1.00 0.00 C ATOM 880 NE ARG A 418 19.494 -2.932 -4.392 1.00 0.00 N ATOM 881 CZ ARG A 418 20.153 -3.415 -5.438 1.00 0.00 C ATOM 882 NH1 ARG A 418 21.245 -4.119 -5.274 1.00 0.00 N ATOM 883 NH2 ARG A 418 19.700 -3.177 -6.673 1.00 0.00 N ATOM 0 H ARG A 418 18.354 0.769 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 418 19.148 -1.192 1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 418 20.544 -2.560 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 418 18.821 -2.876 -0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 418 18.630 -1.454 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 418 20.343 -1.094 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 418 20.964 -3.338 -2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 418 19.372 -3.964 -2.564 1.00 0.00 H new ATOM 0 HE ARG A 418 18.645 -2.397 -4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 418 21.598 -4.301 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 418 21.743 -4.485 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 418 18.852 -2.627 -6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 418 20.203 -3.546 -7.480 1.00 0.00 H new ATOM 897 N PRO A 419 21.513 -0.156 0.965 1.00 0.00 N ATOM 898 CA PRO A 419 22.713 0.671 1.006 1.00 0.00 C ATOM 899 C PRO A 419 23.414 0.739 -0.350 1.00 0.00 C ATOM 900 O PRO A 419 23.417 -0.240 -1.104 1.00 0.00 O ATOM 901 CB PRO A 419 23.622 -0.028 2.031 1.00 0.00 C ATOM 902 CG PRO A 419 22.697 -0.855 2.864 1.00 0.00 C ATOM 903 CD PRO A 419 21.539 -1.235 1.975 1.00 0.00 C ATOM 0 HA PRO A 419 22.474 1.701 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 419 24.370 -0.648 1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 419 24.161 0.697 2.641 1.00 0.00 H new ATOM 0 HG2 PRO A 419 23.204 -1.743 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 419 22.351 -0.294 3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 419 21.689 -2.212 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 419 20.604 -1.286 2.533 1.00 0.00 H new ATOM 911 N GLU A 420 24.011 1.878 -0.670 1.00 0.00 N ATOM 912 CA GLU A 420 24.847 2.007 -1.867 1.00 0.00 C ATOM 913 C GLU A 420 26.171 1.311 -1.639 1.00 0.00 C ATOM 914 O GLU A 420 26.636 1.195 -0.507 1.00 0.00 O ATOM 915 CB GLU A 420 25.068 3.474 -2.211 1.00 0.00 C ATOM 916 CG GLU A 420 23.782 4.206 -2.613 1.00 0.00 C ATOM 917 CD GLU A 420 24.002 5.687 -2.821 1.00 0.00 C ATOM 918 OE1 GLU A 420 24.322 6.089 -3.951 1.00 0.00 O ATOM 919 OE2 GLU A 420 23.878 6.457 -1.851 1.00 0.00 O ATOM 0 H GLU A 420 23.935 2.733 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 420 24.337 1.536 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 420 25.511 3.978 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 420 25.787 3.544 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 420 23.389 3.768 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 420 23.027 4.059 -1.841 1.00 0.00 H new ATOM 926 N CYS A 421 26.771 0.815 -2.712 1.00 0.00 N ATOM 927 CA CYS A 421 28.059 0.139 -2.624 1.00 0.00 C ATOM 928 C CYS A 421 29.109 1.107 -2.041 1.00 0.00 C ATOM 929 O CYS A 421 29.255 2.213 -2.548 1.00 0.00 O ATOM 930 CB CYS A 421 28.464 -0.340 -4.028 1.00 0.00 C ATOM 931 SG CYS A 421 29.684 -1.692 -4.056 1.00 0.00 S ATOM 0 H CYS A 421 26.386 0.868 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 421 27.992 -0.726 -1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 421 27.569 -0.667 -4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 421 28.869 0.507 -4.582 1.00 0.00 H new ATOM 0 HG CYS A 421 29.103 -2.793 -4.431 1.00 0.00 H new ATOM 936 N PRO A 422 29.835 0.694 -0.972 1.00 0.00 N ATOM 937 CA PRO A 422 30.808 1.577 -0.285 1.00 0.00 C ATOM 938 C PRO A 422 31.856 2.163 -1.225 1.00 0.00 C ATOM 939 O PRO A 422 32.435 3.227 -0.955 1.00 0.00 O ATOM 940 CB PRO A 422 31.472 0.624 0.743 1.00 0.00 C ATOM 941 CG PRO A 422 30.451 -0.440 0.967 1.00 0.00 C ATOM 942 CD PRO A 422 29.760 -0.637 -0.351 1.00 0.00 C ATOM 0 HA PRO A 422 30.323 2.448 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 422 32.403 0.208 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 422 31.715 1.144 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 422 30.919 -1.365 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 422 29.741 -0.143 1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 422 30.258 -1.393 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 422 28.728 -0.963 -0.220 1.00 0.00 H new ATOM 950 N TYR A 423 32.084 1.487 -2.342 1.00 0.00 N ATOM 951 CA TYR A 423 33.071 1.924 -3.338 1.00 0.00 C ATOM 952 C TYR A 423 32.371 2.582 -4.520 1.00 0.00 C ATOM 953 O TYR A 423 32.959 2.747 -5.585 1.00 0.00 O ATOM 954 CB TYR A 423 33.923 0.738 -3.802 1.00 0.00 C ATOM 955 CG TYR A 423 34.734 0.084 -2.691 1.00 0.00 C ATOM 956 CD1 TYR A 423 35.875 0.706 -2.189 1.00 0.00 C ATOM 957 CD2 TYR A 423 34.350 -1.138 -2.136 1.00 0.00 C ATOM 958 CE1 TYR A 423 36.607 0.139 -1.174 1.00 0.00 C ATOM 959 CE2 TYR A 423 35.084 -1.711 -1.113 1.00 0.00 C ATOM 960 CZ TYR A 423 36.205 -1.067 -0.639 1.00 0.00 C ATOM 961 OH TYR A 423 36.938 -1.626 0.397 1.00 0.00 O ATOM 0 H TYR A 423 31.598 0.625 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 423 33.732 2.658 -2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 423 33.270 -0.011 -4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 423 34.604 1.077 -4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 423 36.190 1.651 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 423 33.470 -1.641 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 423 37.490 0.634 -0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 423 34.780 -2.657 -0.689 1.00 0.00 H new ATOM 0 HH TYR A 423 36.529 -2.475 0.667 1.00 0.00 H new ATOM 971 N GLY A 424 31.118 2.982 -4.303 1.00 0.00 N ATOM 972 CA GLY A 424 30.317 3.595 -5.334 1.00 0.00 C ATOM 973 C GLY A 424 30.140 2.701 -6.540 1.00 0.00 C ATOM 974 O GLY A 424 30.255 1.476 -6.421 1.00 0.00 O ATOM 0 H GLY A 424 30.641 2.886 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 424 29.338 3.848 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 424 30.784 4.530 -5.644 1.00 0.00 H new ATOM 978 N PRO A 425 29.863 3.265 -7.730 1.00 0.00 N ATOM 979 CA PRO A 425 29.775 2.489 -8.973 1.00 0.00 C ATOM 980 C PRO A 425 31.162 2.060 -9.453 1.00 0.00 C ATOM 981 O PRO A 425 31.294 1.256 -10.376 1.00 0.00 O ATOM 982 CB PRO A 425 29.145 3.461 -9.964 1.00 0.00 C ATOM 983 CG PRO A 425 29.519 4.815 -9.450 1.00 0.00 C ATOM 984 CD PRO A 425 29.566 4.697 -7.949 1.00 0.00 C ATOM 0 HA PRO A 425 29.201 1.571 -8.851 1.00 0.00 H new ATOM 0 HB2 PRO A 425 29.525 3.301 -10.973 1.00 0.00 H new ATOM 0 HB3 PRO A 425 28.063 3.338 -10.007 1.00 0.00 H new ATOM 0 HG2 PRO A 425 30.485 5.129 -9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 425 28.790 5.564 -9.759 1.00 0.00 H new ATOM 0 HD2 PRO A 425 30.336 5.338 -7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 425 28.619 4.986 -7.493 1.00 0.00 H new ATOM 992 N SER A 426 32.191 2.609 -8.813 1.00 0.00 N ATOM 993 CA SER A 426 33.575 2.224 -9.083 1.00 0.00 C ATOM 994 C SER A 426 33.850 0.844 -8.477 1.00 0.00 C ATOM 995 O SER A 426 34.903 0.245 -8.710 1.00 0.00 O ATOM 996 CB SER A 426 34.539 3.282 -8.516 1.00 0.00 C ATOM 997 OG SER A 426 35.886 2.987 -8.852 1.00 0.00 O ATOM 0 H SER A 426 32.091 3.329 -8.097 1.00 0.00 H new ATOM 0 HA SER A 426 33.735 2.167 -10.160 1.00 0.00 H new ATOM 0 HB2 SER A 426 34.272 4.265 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 426 34.434 3.328 -7.432 1.00 0.00 H new ATOM 0 HG SER A 426 36.003 2.016 -8.913 1.00 0.00 H new ATOM 1003 N CYS A 427 32.899 0.347 -7.691 1.00 0.00 N ATOM 1004 CA CYS A 427 32.994 -0.975 -7.105 1.00 0.00 C ATOM 1005 C CYS A 427 33.020 -2.022 -8.211 1.00 0.00 C ATOM 1006 O CYS A 427 32.055 -2.198 -8.947 1.00 0.00 O ATOM 1007 CB CYS A 427 31.792 -1.186 -6.183 1.00 0.00 C ATOM 1008 SG CYS A 427 31.594 -2.885 -5.519 1.00 0.00 S ATOM 0 H CYS A 427 32.047 0.851 -7.447 1.00 0.00 H new ATOM 0 HA CYS A 427 33.912 -1.071 -6.525 1.00 0.00 H new ATOM 0 HB2 CYS A 427 31.874 -0.494 -5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 427 30.887 -0.920 -6.729 1.00 0.00 H new ATOM 0 HG CYS A 427 30.673 -2.888 -4.601 1.00 0.00 H new ATOM 1013 N TYR A 428 34.141 -2.733 -8.309 1.00 0.00 N ATOM 1014 CA TYR A 428 34.317 -3.816 -9.267 1.00 0.00 C ATOM 1015 C TYR A 428 34.331 -5.137 -8.510 1.00 0.00 C ATOM 1016 O TYR A 428 34.847 -6.137 -8.996 1.00 0.00 O ATOM 1017 CB TYR A 428 35.618 -3.633 -10.060 1.00 0.00 C ATOM 1018 CG TYR A 428 36.834 -3.341 -9.197 1.00 0.00 C ATOM 1019 CD1 TYR A 428 37.612 -4.367 -8.666 1.00 0.00 C ATOM 1020 CD2 TYR A 428 37.215 -2.034 -8.912 1.00 0.00 C ATOM 1021 CE1 TYR A 428 38.728 -4.089 -7.876 1.00 0.00 C ATOM 1022 CE2 TYR A 428 38.313 -1.740 -8.136 1.00 0.00 C ATOM 1023 CZ TYR A 428 39.070 -2.782 -7.623 1.00 0.00 C ATOM 1024 OH TYR A 428 40.158 -2.495 -6.833 1.00 0.00 O ATOM 0 H TYR A 428 34.958 -2.571 -7.720 1.00 0.00 H new ATOM 0 HA TYR A 428 33.493 -3.811 -9.981 1.00 0.00 H new ATOM 0 HB2 TYR A 428 35.807 -4.535 -10.641 1.00 0.00 H new ATOM 0 HB3 TYR A 428 35.486 -2.817 -10.771 1.00 0.00 H new ATOM 0 HD1 TYR A 428 37.347 -5.394 -8.869 1.00 0.00 H new ATOM 0 HD2 TYR A 428 36.628 -1.221 -9.314 1.00 0.00 H new ATOM 0 HE1 TYR A 428 39.319 -4.895 -7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 428 38.581 -0.714 -7.930 1.00 0.00 H new ATOM 0 HH TYR A 428 40.260 -1.523 -6.757 1.00 0.00 H new ATOM 1034 N ARG A 429 33.761 -5.117 -7.308 1.00 0.00 N ATOM 1035 CA ARG A 429 33.649 -6.321 -6.499 1.00 0.00 C ATOM 1036 C ARG A 429 32.746 -7.315 -7.227 1.00 0.00 C ATOM 1037 O ARG A 429 31.521 -7.260 -7.099 1.00 0.00 O ATOM 1038 CB ARG A 429 33.105 -5.988 -5.098 1.00 0.00 C ATOM 1039 CG ARG A 429 33.991 -5.025 -4.290 1.00 0.00 C ATOM 1040 CD ARG A 429 35.218 -5.713 -3.684 1.00 0.00 C ATOM 1041 NE ARG A 429 36.075 -6.356 -4.681 1.00 0.00 N ATOM 1042 CZ ARG A 429 37.427 -6.268 -4.722 1.00 0.00 C ATOM 1043 NH1 ARG A 429 38.074 -5.592 -3.774 1.00 0.00 N ATOM 1044 NH2 ARG A 429 38.098 -6.887 -5.666 1.00 0.00 N ATOM 0 H ARG A 429 33.371 -4.280 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 429 34.634 -6.767 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 429 32.112 -5.551 -5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 429 32.989 -6.915 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 429 34.319 -4.211 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 429 33.399 -4.578 -3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 429 35.803 -4.977 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 429 34.887 -6.461 -2.963 1.00 0.00 H new ATOM 0 HE ARG A 429 35.619 -6.915 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 429 37.552 -5.143 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 429 39.091 -5.523 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 429 37.602 -7.435 -6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 429 39.115 -6.820 -5.696 1.00 0.00 H new ATOM 1058 N LYS A 430 33.365 -8.174 -8.016 1.00 0.00 N ATOM 1059 CA LYS A 430 32.657 -9.118 -8.865 1.00 0.00 C ATOM 1060 C LYS A 430 31.951 -10.186 -8.040 1.00 0.00 C ATOM 1061 O LYS A 430 32.532 -11.195 -7.654 1.00 0.00 O ATOM 1062 CB LYS A 430 33.653 -9.766 -9.858 1.00 0.00 C ATOM 1063 CG LYS A 430 34.258 -8.747 -10.817 1.00 0.00 C ATOM 1064 CD LYS A 430 35.397 -9.336 -11.660 1.00 0.00 C ATOM 1065 CE LYS A 430 36.560 -9.800 -10.793 1.00 0.00 C ATOM 1066 NZ LYS A 430 37.699 -10.304 -11.608 1.00 0.00 N ATOM 0 H LYS A 430 34.381 -8.238 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 430 31.891 -8.578 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 430 34.451 -10.256 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 430 33.141 -10.540 -10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 430 33.479 -8.369 -11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 430 34.634 -7.896 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 430 35.021 -10.176 -12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 430 35.749 -8.587 -12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 430 36.899 -8.973 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 430 36.219 -10.588 -10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 38.468 -10.609 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 37.383 -11.110 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 38.042 -9.546 -12.231 1.00 0.00 H new ATOM 1080 N ASN A 431 30.697 -9.898 -7.711 1.00 0.00 N ATOM 1081 CA ASN A 431 29.811 -10.843 -7.045 1.00 0.00 C ATOM 1082 C ASN A 431 28.372 -10.375 -7.221 1.00 0.00 C ATOM 1083 O ASN A 431 28.032 -9.259 -6.834 1.00 0.00 O ATOM 1084 CB ASN A 431 30.137 -10.945 -5.554 1.00 0.00 C ATOM 1085 CG ASN A 431 29.430 -12.111 -4.894 1.00 0.00 C ATOM 1086 OD1 ASN A 431 29.399 -13.219 -5.423 1.00 0.00 O ATOM 1087 ND2 ASN A 431 28.812 -11.867 -3.754 1.00 0.00 N ATOM 0 H ASN A 431 30.264 -8.994 -7.901 1.00 0.00 H new ATOM 0 HA ASN A 431 29.948 -11.828 -7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 431 31.214 -11.055 -5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 431 29.850 -10.019 -5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 431 28.290 -12.609 -3.288 1.00 0.00 H new ATOM 0 HD22 ASN A 431 28.856 -10.936 -3.339 1.00 0.00 H new ATOM 1094 N PRO A 432 27.500 -11.216 -7.783 1.00 0.00 N ATOM 1095 CA PRO A 432 26.106 -10.858 -8.034 1.00 0.00 C ATOM 1096 C PRO A 432 25.372 -10.598 -6.718 1.00 0.00 C ATOM 1097 O PRO A 432 24.528 -9.707 -6.646 1.00 0.00 O ATOM 1098 CB PRO A 432 25.528 -12.077 -8.767 1.00 0.00 C ATOM 1099 CG PRO A 432 26.438 -13.213 -8.399 1.00 0.00 C ATOM 1100 CD PRO A 432 27.802 -12.600 -8.212 1.00 0.00 C ATOM 0 HA PRO A 432 26.003 -9.943 -8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 432 24.502 -12.275 -8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 432 25.510 -11.918 -9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 432 26.101 -13.704 -7.486 1.00 0.00 H new ATOM 0 HG3 PRO A 432 26.454 -13.971 -9.182 1.00 0.00 H new ATOM 0 HD2 PRO A 432 28.384 -13.135 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 432 28.380 -12.617 -9.136 1.00 0.00 H new ATOM 1108 N GLN A 433 25.711 -11.370 -5.697 1.00 0.00 N ATOM 1109 CA GLN A 433 25.072 -11.217 -4.385 1.00 0.00 C ATOM 1110 C GLN A 433 25.443 -9.839 -3.807 1.00 0.00 C ATOM 1111 O GLN A 433 24.625 -9.201 -3.180 1.00 0.00 O ATOM 1112 CB GLN A 433 25.504 -12.338 -3.454 1.00 0.00 C ATOM 1113 CG GLN A 433 24.921 -12.240 -2.042 1.00 0.00 C ATOM 1114 CD GLN A 433 23.402 -12.262 -2.007 1.00 0.00 C ATOM 1115 OE1 GLN A 433 22.788 -13.317 -1.910 1.00 0.00 O ATOM 1116 NE2 GLN A 433 22.789 -11.096 -2.097 1.00 0.00 N ATOM 0 H GLN A 433 26.417 -12.104 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 433 23.989 -11.277 -4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 433 25.210 -13.292 -3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 433 26.592 -12.340 -3.387 1.00 0.00 H new ATOM 0 HG2 GLN A 433 25.302 -13.067 -1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 433 25.273 -11.320 -1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 433 23.335 -10.238 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 433 21.770 -11.053 -2.087 1.00 0.00 H new ATOM 1125 N HIS A 434 26.668 -9.406 -4.041 1.00 0.00 N ATOM 1126 CA HIS A 434 27.120 -8.107 -3.548 1.00 0.00 C ATOM 1127 C HIS A 434 26.293 -6.996 -4.198 1.00 0.00 C ATOM 1128 O HIS A 434 25.764 -6.124 -3.537 1.00 0.00 O ATOM 1129 CB HIS A 434 28.603 -7.888 -3.852 1.00 0.00 C ATOM 1130 CG HIS A 434 29.011 -6.456 -3.746 1.00 0.00 C ATOM 1131 ND1 HIS A 434 28.779 -5.686 -2.640 1.00 0.00 N ATOM 1132 CD2 HIS A 434 29.581 -5.644 -4.657 1.00 0.00 C ATOM 1133 CE1 HIS A 434 29.189 -4.447 -2.900 1.00 0.00 C ATOM 1134 NE2 HIS A 434 29.692 -4.370 -4.128 1.00 0.00 N ATOM 0 H HIS A 434 27.369 -9.928 -4.566 1.00 0.00 H new ATOM 0 HA HIS A 434 26.985 -8.085 -2.467 1.00 0.00 H new ATOM 0 HB2 HIS A 434 29.202 -8.483 -3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 434 28.820 -8.249 -4.857 1.00 0.00 H new ATOM 0 HD1 HIS A 434 28.363 -6.006 -1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 434 29.901 -5.941 -5.645 1.00 0.00 H new ATOM 0 HE1 HIS A 434 29.122 -3.619 -2.209 1.00 0.00 H new ATOM 1142 N LYS A 435 26.201 -7.099 -5.512 1.00 0.00 N ATOM 1143 CA LYS A 435 25.444 -6.145 -6.331 1.00 0.00 C ATOM 1144 C LYS A 435 23.945 -6.219 -6.059 1.00 0.00 C ATOM 1145 O LYS A 435 23.161 -5.398 -6.533 1.00 0.00 O ATOM 1146 CB LYS A 435 25.750 -6.438 -7.806 1.00 0.00 C ATOM 1147 CG LYS A 435 27.237 -6.313 -8.118 1.00 0.00 C ATOM 1148 CD LYS A 435 27.567 -6.858 -9.509 1.00 0.00 C ATOM 1149 CE LYS A 435 26.785 -6.130 -10.591 1.00 0.00 C ATOM 1150 NZ LYS A 435 27.248 -6.516 -11.954 1.00 0.00 N ATOM 0 H LYS A 435 26.646 -7.843 -6.049 1.00 0.00 H new ATOM 0 HA LYS A 435 25.749 -5.130 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 435 25.411 -7.444 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 435 25.188 -5.749 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 435 27.536 -5.267 -8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 435 27.814 -6.854 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 435 28.635 -6.754 -9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 435 27.339 -7.923 -9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 435 25.724 -6.356 -10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 435 26.896 -5.054 -10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 26.694 -6.001 -12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 28.255 -6.277 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 27.119 -7.539 -12.088 1.00 0.00 H new ATOM 1164 N ILE A 436 23.548 -7.229 -5.243 1.00 0.00 N ATOM 1165 CA ILE A 436 22.157 -7.372 -4.823 1.00 0.00 C ATOM 1166 C ILE A 436 21.956 -6.701 -3.462 1.00 0.00 C ATOM 1167 O ILE A 436 20.964 -5.991 -3.270 1.00 0.00 O ATOM 1168 CB ILE A 436 21.801 -8.882 -4.747 1.00 0.00 C ATOM 1169 CG1 ILE A 436 21.610 -9.475 -6.165 1.00 0.00 C ATOM 1170 CG2 ILE A 436 20.535 -9.097 -3.890 1.00 0.00 C ATOM 1171 CD1 ILE A 436 21.372 -10.972 -6.168 1.00 0.00 C ATOM 0 H ILE A 436 24.176 -7.943 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 436 21.499 -6.888 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 436 22.631 -9.405 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 436 20.766 -8.980 -6.646 1.00 0.00 H new ATOM 0 HG13 ILE A 436 22.493 -9.254 -6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 436 20.300 -10.161 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 436 20.711 -8.724 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 436 19.698 -8.558 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 436 21.247 -11.318 -7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 436 22.226 -11.477 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 436 20.472 -11.198 -5.596 1.00 0.00 H new ATOM 1183 N GLU A 437 22.889 -6.905 -2.559 1.00 0.00 N ATOM 1184 CA GLU A 437 22.822 -6.317 -1.209 1.00 0.00 C ATOM 1185 C GLU A 437 23.003 -4.810 -1.274 1.00 0.00 C ATOM 1186 O GLU A 437 22.371 -4.050 -0.546 1.00 0.00 O ATOM 1187 CB GLU A 437 23.895 -6.926 -0.290 1.00 0.00 C ATOM 1188 CG GLU A 437 23.994 -8.445 -0.359 1.00 0.00 C ATOM 1189 CD GLU A 437 25.003 -9.017 0.623 1.00 0.00 C ATOM 1190 OE1 GLU A 437 26.203 -9.022 0.306 1.00 0.00 O ATOM 1191 OE2 GLU A 437 24.592 -9.470 1.712 1.00 0.00 O ATOM 0 H GLU A 437 23.717 -7.477 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 437 21.838 -6.542 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 437 24.864 -6.499 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 437 23.683 -6.634 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 437 23.014 -8.877 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 437 24.272 -8.740 -1.371 1.00 0.00 H new ATOM 1198 N TYR A 438 23.885 -4.385 -2.175 1.00 0.00 N ATOM 1199 CA TYR A 438 24.226 -2.976 -2.336 1.00 0.00 C ATOM 1200 C TYR A 438 23.837 -2.517 -3.721 1.00 0.00 C ATOM 1201 O TYR A 438 24.040 -3.232 -4.691 1.00 0.00 O ATOM 1202 CB TYR A 438 25.737 -2.763 -2.141 1.00 0.00 C ATOM 1203 CG TYR A 438 26.244 -3.105 -0.746 1.00 0.00 C ATOM 1204 CD1 TYR A 438 26.514 -4.413 -0.384 1.00 0.00 C ATOM 1205 CD2 TYR A 438 26.461 -2.093 0.191 1.00 0.00 C ATOM 1206 CE1 TYR A 438 26.986 -4.720 0.882 1.00 0.00 C ATOM 1207 CE2 TYR A 438 26.936 -2.394 1.454 1.00 0.00 C ATOM 1208 CZ TYR A 438 27.192 -3.719 1.795 1.00 0.00 C ATOM 1209 OH TYR A 438 27.670 -4.012 3.043 1.00 0.00 O ATOM 0 H TYR A 438 24.382 -5.007 -2.812 1.00 0.00 H new ATOM 0 HA TYR A 438 23.685 -2.399 -1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 438 26.275 -3.370 -2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 438 25.976 -1.722 -2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 438 26.354 -5.207 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 438 26.256 -1.066 -0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 438 27.191 -5.746 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 438 27.107 -1.606 2.172 1.00 0.00 H new ATOM 0 HH TYR A 438 27.758 -3.185 3.562 1.00 0.00 H new ATOM 1219 N ARG A 439 23.280 -1.317 -3.794 1.00 0.00 N ATOM 1220 CA ARG A 439 22.907 -0.709 -5.066 1.00 0.00 C ATOM 1221 C ARG A 439 24.092 0.088 -5.606 1.00 0.00 C ATOM 1222 O ARG A 439 24.587 1.025 -4.959 1.00 0.00 O ATOM 1223 CB ARG A 439 21.656 0.177 -4.905 1.00 0.00 C ATOM 1224 CG ARG A 439 21.762 1.257 -3.854 1.00 0.00 C ATOM 1225 CD ARG A 439 20.428 1.991 -3.683 1.00 0.00 C ATOM 1226 NE ARG A 439 20.525 3.143 -2.795 1.00 0.00 N ATOM 1227 CZ ARG A 439 19.994 4.353 -3.033 1.00 0.00 C ATOM 1228 NH1 ARG A 439 19.349 4.591 -4.184 1.00 0.00 N ATOM 1229 NH2 ARG A 439 20.139 5.322 -2.146 1.00 0.00 N ATOM 0 H ARG A 439 23.074 -0.739 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 439 22.654 -1.491 -5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 439 21.437 0.646 -5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 439 20.807 -0.462 -4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 439 22.063 0.816 -2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 439 22.539 1.968 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 439 20.072 2.320 -4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 439 19.685 1.297 -3.290 1.00 0.00 H new ATOM 0 HE ARG A 439 21.038 3.020 -1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 439 19.261 3.852 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 439 18.947 5.511 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 439 20.654 5.150 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 439 19.736 6.242 -2.325 1.00 0.00 H new ATOM 1243 N HIS A 440 24.573 -0.314 -6.776 1.00 0.00 N ATOM 1244 CA HIS A 440 25.664 0.374 -7.455 1.00 0.00 C ATOM 1245 C HIS A 440 25.078 1.371 -8.439 1.00 0.00 C ATOM 1246 O HIS A 440 24.636 0.993 -9.526 1.00 0.00 O ATOM 1247 CB HIS A 440 26.561 -0.624 -8.200 1.00 0.00 C ATOM 1248 CG HIS A 440 27.173 -1.634 -7.282 1.00 0.00 C ATOM 1249 ND1 HIS A 440 26.456 -2.544 -6.540 1.00 0.00 N ATOM 1250 CD2 HIS A 440 28.494 -1.900 -7.022 1.00 0.00 C ATOM 1251 CE1 HIS A 440 27.310 -3.275 -5.831 1.00 0.00 C ATOM 1252 NE2 HIS A 440 28.574 -2.936 -6.090 1.00 0.00 N ATOM 0 H HIS A 440 24.218 -1.126 -7.281 1.00 0.00 H new ATOM 0 HA HIS A 440 26.274 0.891 -6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 440 25.974 -1.137 -8.962 1.00 0.00 H new ATOM 0 HB3 HIS A 440 27.352 -0.081 -8.718 1.00 0.00 H new ATOM 0 HD2 HIS A 440 29.336 -1.390 -7.467 1.00 0.00 H new ATOM 0 HE1 HIS A 440 27.018 -4.046 -5.133 1.00 0.00 H new ATOM 0 HE2 HIS A 440 29.419 -3.346 -5.692 1.00 0.00 H new ATOM 1260 N ASN A 441 25.032 2.633 -8.031 1.00 0.00 N ATOM 1261 CA ASN A 441 24.421 3.685 -8.820 1.00 0.00 C ATOM 1262 C ASN A 441 25.480 4.335 -9.716 1.00 0.00 C ATOM 1263 O ASN A 441 26.338 5.078 -9.235 1.00 0.00 O ATOM 1264 CB ASN A 441 23.807 4.764 -7.918 1.00 0.00 C ATOM 1265 CG ASN A 441 22.754 4.207 -6.978 1.00 0.00 C ATOM 1266 OD1 ASN A 441 23.168 3.798 -5.796 1.00 0.00 O flip ATOM 1267 ND2 ASN A 441 21.567 4.133 -7.319 1.00 0.00 N flip ATOM 0 H ASN A 441 25.419 2.952 -7.143 1.00 0.00 H new ATOM 0 HA ASN A 441 23.632 3.240 -9.426 1.00 0.00 H new ATOM 0 HB2 ASN A 441 24.597 5.237 -7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 441 23.361 5.541 -8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 441 21.280 4.459 -8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 441 20.875 3.746 -6.677 1.00 0.00 H new ATOM 1274 N THR A 442 25.417 4.030 -10.998 1.00 0.00 N ATOM 1275 CA THR A 442 26.404 4.562 -11.930 1.00 0.00 C ATOM 1276 C THR A 442 26.061 6.011 -12.220 1.00 0.00 C ATOM 1277 O THR A 442 24.898 6.353 -12.395 1.00 0.00 O ATOM 1278 CB THR A 442 26.454 3.746 -13.237 1.00 0.00 C ATOM 1279 OG1 THR A 442 26.053 2.395 -12.953 1.00 0.00 O ATOM 1280 CG2 THR A 442 27.847 3.754 -13.831 1.00 0.00 C ATOM 0 H THR A 442 24.708 3.428 -11.417 1.00 0.00 H new ATOM 0 HA THR A 442 27.393 4.493 -11.476 1.00 0.00 H new ATOM 0 HB THR A 442 25.777 4.197 -13.963 1.00 0.00 H new ATOM 0 HG1 THR A 442 26.079 1.866 -13.777 1.00 0.00 H new ATOM 0 HG21 THR A 442 27.853 3.171 -14.752 1.00 0.00 H new ATOM 0 HG22 THR A 442 28.144 4.780 -14.049 1.00 0.00 H new ATOM 0 HG23 THR A 442 28.548 3.317 -13.120 1.00 0.00 H new ATOM 1288 N LEU A 443 27.074 6.859 -12.267 1.00 0.00 N ATOM 1289 CA LEU A 443 26.846 8.285 -12.357 1.00 0.00 C ATOM 1290 C LEU A 443 27.430 8.870 -13.633 1.00 0.00 C ATOM 1291 O LEU A 443 28.422 8.349 -14.183 1.00 0.00 O ATOM 1292 CB LEU A 443 27.420 8.999 -11.108 1.00 0.00 C ATOM 1293 CG LEU A 443 28.730 8.434 -10.521 1.00 0.00 C ATOM 1294 CD1 LEU A 443 29.880 8.510 -11.528 1.00 0.00 C ATOM 1295 CD2 LEU A 443 29.087 9.126 -9.207 1.00 0.00 C ATOM 0 H LEU A 443 28.056 6.584 -12.244 1.00 0.00 H new ATOM 0 HA LEU A 443 25.769 8.450 -12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 443 27.586 10.046 -11.362 1.00 0.00 H new ATOM 0 HB3 LEU A 443 26.661 8.977 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 443 28.565 7.379 -10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 443 30.785 8.103 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 443 29.625 7.932 -12.416 1.00 0.00 H new ATOM 0 HD13 LEU A 443 30.050 9.550 -11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 443 30.015 8.708 -8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 443 29.216 10.194 -9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 443 28.286 8.970 -8.484 1.00 0.00 H new ATOM 1307 N PRO A 444 26.815 9.937 -14.152 1.00 0.00 N ATOM 1308 CA PRO A 444 27.320 10.659 -15.318 1.00 0.00 C ATOM 1309 C PRO A 444 28.452 11.576 -14.960 1.00 0.00 C ATOM 1310 O PRO A 444 29.202 12.039 -15.814 1.00 0.00 O ATOM 1311 CB PRO A 444 26.089 11.455 -15.799 1.00 0.00 C ATOM 1312 CG PRO A 444 25.318 11.712 -14.537 1.00 0.00 C ATOM 1313 CD PRO A 444 25.535 10.520 -13.644 1.00 0.00 C ATOM 0 HA PRO A 444 27.728 9.994 -16.079 1.00 0.00 H new ATOM 0 HB2 PRO A 444 26.379 12.385 -16.288 1.00 0.00 H new ATOM 0 HB3 PRO A 444 25.501 10.887 -16.519 1.00 0.00 H new ATOM 0 HG2 PRO A 444 25.663 12.626 -14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 444 24.258 11.846 -14.752 1.00 0.00 H new ATOM 0 HD2 PRO A 444 25.614 10.811 -12.597 1.00 0.00 H new ATOM 0 HD3 PRO A 444 24.712 9.808 -13.716 1.00 0.00 H new ATOM 1321 N VAL A 445 28.564 11.887 -13.636 1.00 0.00 N ATOM 1322 CA VAL A 445 29.593 12.792 -13.086 1.00 0.00 C ATOM 1323 C VAL A 445 29.775 14.030 -13.952 1.00 0.00 C ATOM 1324 O VAL A 445 30.841 14.653 -13.998 1.00 0.00 O ATOM 1325 CB VAL A 445 30.951 12.038 -12.878 1.00 0.00 C ATOM 1326 CG1 VAL A 445 31.657 11.706 -14.190 1.00 0.00 C ATOM 1327 CG2 VAL A 445 31.860 12.850 -11.929 1.00 0.00 C ATOM 0 H VAL A 445 27.936 11.511 -12.926 1.00 0.00 H new ATOM 0 HA VAL A 445 29.244 13.130 -12.110 1.00 0.00 H new ATOM 0 HB VAL A 445 30.726 11.076 -12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 445 32.591 11.185 -13.979 1.00 0.00 H new ATOM 0 HG12 VAL A 445 31.015 11.068 -14.798 1.00 0.00 H new ATOM 0 HG13 VAL A 445 31.870 12.627 -14.732 1.00 0.00 H new ATOM 0 HG21 VAL A 445 32.803 12.322 -11.788 1.00 0.00 H new ATOM 0 HG22 VAL A 445 32.055 13.831 -12.363 1.00 0.00 H new ATOM 0 HG23 VAL A 445 31.364 12.972 -10.966 1.00 0.00 H new ATOM 1337 N ARG A 446 28.681 14.444 -14.615 1.00 0.00 N ATOM 1338 CA ARG A 446 28.732 15.552 -15.574 1.00 0.00 C ATOM 1339 C ARG A 446 28.037 16.783 -15.005 1.00 0.00 C ATOM 1340 O ARG A 446 28.441 17.916 -15.287 1.00 0.00 O ATOM 1341 CB ARG A 446 28.054 15.113 -16.885 1.00 0.00 C ATOM 1342 CG ARG A 446 28.499 15.899 -18.114 1.00 0.00 C ATOM 1343 CD ARG A 446 29.945 15.552 -18.490 1.00 0.00 C ATOM 1344 NE ARG A 446 30.095 14.123 -18.770 1.00 0.00 N ATOM 1345 CZ ARG A 446 31.068 13.364 -18.258 1.00 0.00 C ATOM 1346 NH1 ARG A 446 32.000 13.908 -17.481 1.00 0.00 N ATOM 1347 NH2 ARG A 446 31.115 12.072 -18.544 1.00 0.00 N ATOM 0 H ARG A 446 27.757 14.028 -14.502 1.00 0.00 H new ATOM 0 HA ARG A 446 29.772 15.812 -15.771 1.00 0.00 H new ATOM 0 HB2 ARG A 446 28.259 14.055 -17.050 1.00 0.00 H new ATOM 0 HB3 ARG A 446 26.974 15.215 -16.774 1.00 0.00 H new ATOM 0 HG2 ARG A 446 27.838 15.677 -18.952 1.00 0.00 H new ATOM 0 HG3 ARG A 446 28.416 16.968 -17.917 1.00 0.00 H new ATOM 0 HD2 ARG A 446 30.244 16.129 -19.365 1.00 0.00 H new ATOM 0 HD3 ARG A 446 30.613 15.837 -17.677 1.00 0.00 H new ATOM 0 HE ARG A 446 29.418 13.681 -19.392 1.00 0.00 H new ATOM 0 HH11 ARG A 446 31.973 14.907 -17.275 1.00 0.00 H new ATOM 0 HH12 ARG A 446 32.742 13.327 -17.091 1.00 0.00 H new ATOM 0 HH21 ARG A 446 30.410 11.659 -19.154 1.00 0.00 H new ATOM 0 HH22 ARG A 446 31.857 11.490 -18.155 1.00 0.00 H new ATOM 1361 N ASN A 447 26.998 16.551 -14.215 1.00 0.00 N ATOM 1362 CA ASN A 447 26.211 17.645 -13.614 1.00 0.00 C ATOM 1363 C ASN A 447 26.914 18.173 -12.362 1.00 0.00 C ATOM 1364 O ASN A 447 26.730 19.334 -11.999 1.00 0.00 O ATOM 1365 CB ASN A 447 24.795 17.179 -13.281 1.00 0.00 C ATOM 1366 CG ASN A 447 24.007 16.805 -14.512 1.00 0.00 C ATOM 1367 OD1 ASN A 447 23.369 17.637 -15.151 1.00 0.00 O ATOM 1368 ND2 ASN A 447 24.018 15.505 -14.872 1.00 0.00 N ATOM 0 H ASN A 447 26.671 15.617 -13.969 1.00 0.00 H new ATOM 0 HA ASN A 447 26.135 18.454 -14.340 1.00 0.00 H new ATOM 0 HB2 ASN A 447 24.846 16.321 -12.611 1.00 0.00 H new ATOM 0 HB3 ASN A 447 24.272 17.971 -12.745 1.00 0.00 H new ATOM 0 HD21 ASN A 447 23.490 15.197 -15.689 1.00 0.00 H new ATOM 0 HD22 ASN A 447 24.555 14.830 -14.328 1.00 0.00 H new ATOM 1375 N VAL A 448 27.677 17.318 -11.717 1.00 0.00 N ATOM 1376 CA VAL A 448 28.420 17.696 -10.503 1.00 0.00 C ATOM 1377 C VAL A 448 29.840 18.173 -10.889 1.00 0.00 C ATOM 1378 O VAL A 448 30.420 17.692 -11.830 1.00 0.00 O ATOM 1379 CB VAL A 448 28.560 16.523 -9.520 1.00 0.00 C ATOM 1380 CG1 VAL A 448 27.147 16.152 -8.975 1.00 0.00 C ATOM 1381 CG2 VAL A 448 29.207 15.310 -10.144 1.00 0.00 C ATOM 0 H VAL A 448 27.809 16.348 -12.003 1.00 0.00 H new ATOM 0 HA VAL A 448 27.856 18.492 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 448 29.215 16.843 -8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 448 27.234 15.320 -8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 448 26.717 17.013 -8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 448 26.501 15.863 -9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 448 29.279 14.514 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 448 28.604 14.968 -10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 448 30.206 15.570 -10.495 1.00 0.00 H new