USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 421 CYS SG : rot 173:sc= -19.2! USER MOD Set 1.2: A 427 CYS SG : rot 133:sc= -7.71! USER MOD Set 1.3: A 434 HIS : no HD1:sc= -7.4! C(o=-43!,f=-83!) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -9.15! C(o=-43!,f=-83!) USER MOD Set 2.1: A 394 GLN : amide:sc= -0.149 K(o=-1.6,f=-5.4) USER MOD Set 2.2: A 395 HIS : no HE2:sc= -1.42! C(o=-1.6!,f=-9.2!) USER MOD Set 3.1: A 379 CYS SG : rot 111:sc= -6.83! USER MOD Set 3.2: A 385 CYS SG : rot -140:sc= -6.92! USER MOD Set 3.3: A 392 HIS : no HD1:sc= -2.72! C(o=-24!,f=-57!) USER MOD Set 3.4: A 398 HIS : no HD1:sc= -7.26! C(o=-24!,f=-58!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 34:sc= 0.653 USER MOD Single : A 380 MET CE :methyl 162:sc= -0.294 (180deg=-1.35!) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 0.868 K(o=0.87,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 164:sc= -0.0722 (180deg=-0.412) USER MOD Single : A 389 ASN : amide:sc= -1.58 K(o=-1.6,f=-10!) USER MOD Single : A 397 SER OG : rot -160:sc= -0.514 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= -0.0189 USER MOD Single : A 426 SER OG : rot -27:sc= 0.448 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0571) USER MOD Single : A 431 ASN : amide:sc= -0.795 K(o=-0.79,f=-2.3!) USER MOD Single : A 433 GLN :FLIP amide:sc= -0.0662 F(o=-1.5,f=-0.066) USER MOD Single : A 435 LYS NZ :NH3+ 170:sc=-0.00934 (180deg=-0.111) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN :FLIP amide:sc= -0.635 F(o=-2.4!,f=-0.63) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 447 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -5.892 12.423 -6.500 1.00 0.00 N ATOM 257 CA ARG A 376 -4.891 11.951 -7.450 1.00 0.00 C ATOM 258 C ARG A 376 -3.848 11.106 -6.735 1.00 0.00 C ATOM 259 O ARG A 376 -3.679 11.217 -5.517 1.00 0.00 O ATOM 260 CB ARG A 376 -4.206 13.110 -8.185 1.00 0.00 C ATOM 261 CG ARG A 376 -5.043 13.729 -9.308 1.00 0.00 C ATOM 262 CD ARG A 376 -6.125 14.676 -8.784 1.00 0.00 C ATOM 263 NE ARG A 376 -5.550 15.787 -8.065 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.120 16.398 -7.024 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.325 16.033 -6.603 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.483 17.364 -6.401 1.00 0.00 N ATOM 0 HA ARG A 376 -5.408 11.345 -8.194 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -3.959 13.887 -7.462 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.265 12.753 -8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.387 14.274 -9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.512 12.933 -9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.719 15.049 -9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.803 14.129 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.641 16.131 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.824 15.279 -7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.752 16.506 -5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.554 17.646 -6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -5.918 17.831 -5.605 1.00 0.00 H new ATOM 280 N THR A 377 -3.136 10.269 -7.503 1.00 0.00 N ATOM 281 CA THR A 377 -2.089 9.443 -6.952 1.00 0.00 C ATOM 282 C THR A 377 -0.748 10.089 -7.289 1.00 0.00 C ATOM 283 O THR A 377 -0.619 10.751 -8.323 1.00 0.00 O ATOM 284 CB THR A 377 -2.150 7.992 -7.510 1.00 0.00 C ATOM 285 OG1 THR A 377 -1.189 7.164 -6.850 1.00 0.00 O ATOM 286 CG2 THR A 377 -1.904 7.952 -9.022 1.00 0.00 C ATOM 0 H THR A 377 -3.278 10.157 -8.507 1.00 0.00 H new ATOM 0 HA THR A 377 -2.217 9.372 -5.872 1.00 0.00 H new ATOM 0 HB THR A 377 -3.154 7.615 -7.318 1.00 0.00 H new ATOM 0 HG1 THR A 377 -1.240 6.254 -7.210 1.00 0.00 H new ATOM 0 HG21 THR A 377 -1.955 6.921 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 377 -2.664 8.546 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A 377 -0.918 8.361 -9.241 1.00 0.00 H new ATOM 294 N SER A 378 0.234 9.897 -6.419 1.00 0.00 N ATOM 295 CA SER A 378 1.504 10.586 -6.520 1.00 0.00 C ATOM 296 C SER A 378 2.158 10.294 -7.875 1.00 0.00 C ATOM 297 O SER A 378 2.551 9.148 -8.158 1.00 0.00 O ATOM 298 CB SER A 378 2.445 10.165 -5.380 1.00 0.00 C ATOM 299 OG SER A 378 3.578 11.017 -5.279 1.00 0.00 O ATOM 0 H SER A 378 0.169 9.259 -5.626 1.00 0.00 H new ATOM 0 HA SER A 378 1.319 11.657 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 378 1.899 10.176 -4.437 1.00 0.00 H new ATOM 0 HB3 SER A 378 2.777 9.140 -5.544 1.00 0.00 H new ATOM 0 HG SER A 378 3.324 11.930 -5.528 1.00 0.00 H new ATOM 305 N CYS A 379 2.246 11.334 -8.739 1.00 0.00 N ATOM 306 CA CYS A 379 2.929 11.225 -10.016 1.00 0.00 C ATOM 307 C CYS A 379 4.320 10.650 -9.766 1.00 0.00 C ATOM 308 O CYS A 379 5.170 11.326 -9.196 1.00 0.00 O ATOM 309 CB CYS A 379 3.029 12.613 -10.674 1.00 0.00 C ATOM 310 SG CYS A 379 3.613 12.660 -12.433 1.00 0.00 S ATOM 0 H CYS A 379 1.845 12.254 -8.558 1.00 0.00 H new ATOM 0 HA CYS A 379 2.376 10.570 -10.689 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.046 13.083 -10.629 1.00 0.00 H new ATOM 0 HB3 CYS A 379 3.703 13.226 -10.075 1.00 0.00 H new ATOM 0 HG CYS A 379 2.631 13.017 -13.207 1.00 0.00 H new ATOM 315 N MET A 380 4.537 9.405 -10.173 1.00 0.00 N ATOM 316 CA MET A 380 5.799 8.716 -9.916 1.00 0.00 C ATOM 317 C MET A 380 6.963 9.464 -10.563 1.00 0.00 C ATOM 318 O MET A 380 8.131 9.185 -10.283 1.00 0.00 O ATOM 319 CB MET A 380 5.741 7.286 -10.451 1.00 0.00 C ATOM 320 CG MET A 380 5.918 7.180 -11.962 1.00 0.00 C ATOM 321 SD MET A 380 5.804 5.470 -12.546 1.00 0.00 S ATOM 322 CE MET A 380 4.205 5.030 -11.892 1.00 0.00 C ATOM 0 H MET A 380 3.853 8.848 -10.685 1.00 0.00 H new ATOM 0 HA MET A 380 5.958 8.687 -8.838 1.00 0.00 H new ATOM 0 HB2 MET A 380 6.516 6.695 -9.963 1.00 0.00 H new ATOM 0 HB3 MET A 380 4.783 6.845 -10.176 1.00 0.00 H new ATOM 0 HG2 MET A 380 5.158 7.783 -12.458 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.886 7.594 -12.243 1.00 0.00 H new ATOM 0 HE1 MET A 380 3.831 4.146 -12.409 1.00 0.00 H new ATOM 0 HE2 MET A 380 4.294 4.817 -10.827 1.00 0.00 H new ATOM 0 HE3 MET A 380 3.511 5.857 -12.040 1.00 0.00 H new ATOM 332 N TYR A 381 6.622 10.393 -11.444 1.00 0.00 N ATOM 333 CA TYR A 381 7.608 11.252 -12.077 1.00 0.00 C ATOM 334 C TYR A 381 7.749 12.540 -11.300 1.00 0.00 C ATOM 335 O TYR A 381 8.809 13.181 -11.285 1.00 0.00 O ATOM 336 CB TYR A 381 7.164 11.536 -13.520 1.00 0.00 C ATOM 337 CG TYR A 381 6.785 10.280 -14.283 1.00 0.00 C ATOM 338 CD1 TYR A 381 7.731 9.527 -14.974 1.00 0.00 C ATOM 339 CD2 TYR A 381 5.456 9.846 -14.286 1.00 0.00 C ATOM 340 CE1 TYR A 381 7.360 8.373 -15.652 1.00 0.00 C ATOM 341 CE2 TYR A 381 5.088 8.700 -14.957 1.00 0.00 C ATOM 342 CZ TYR A 381 6.035 7.964 -15.639 1.00 0.00 C ATOM 343 OH TYR A 381 5.679 6.830 -16.304 1.00 0.00 O ATOM 0 H TYR A 381 5.661 10.571 -11.738 1.00 0.00 H new ATOM 0 HA TYR A 381 8.579 10.757 -12.089 1.00 0.00 H new ATOM 0 HB2 TYR A 381 6.312 12.216 -13.505 1.00 0.00 H new ATOM 0 HB3 TYR A 381 7.970 12.046 -14.048 1.00 0.00 H new ATOM 0 HD1 TYR A 381 8.764 9.844 -14.983 1.00 0.00 H new ATOM 0 HD2 TYR A 381 4.708 10.416 -13.755 1.00 0.00 H new ATOM 0 HE1 TYR A 381 8.100 7.797 -16.187 1.00 0.00 H new ATOM 0 HE2 TYR A 381 4.057 8.378 -14.949 1.00 0.00 H new ATOM 0 HH TYR A 381 4.717 6.678 -16.199 1.00 0.00 H new ATOM 353 N GLY A 382 6.658 12.926 -10.599 1.00 0.00 N ATOM 354 CA GLY A 382 6.677 14.127 -9.781 1.00 0.00 C ATOM 355 C GLY A 382 6.962 15.366 -10.587 1.00 0.00 C ATOM 356 O GLY A 382 6.227 15.710 -11.514 1.00 0.00 O ATOM 0 H GLY A 382 5.772 12.421 -10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.716 14.237 -9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.433 14.021 -9.003 1.00 0.00 H new ATOM 360 N ALA A 383 8.076 16.038 -10.274 1.00 0.00 N ATOM 361 CA ALA A 383 8.457 17.235 -11.006 1.00 0.00 C ATOM 362 C ALA A 383 9.223 16.891 -12.282 1.00 0.00 C ATOM 363 O ALA A 383 9.460 17.746 -13.131 1.00 0.00 O ATOM 364 CB ALA A 383 9.312 18.156 -10.115 1.00 0.00 C ATOM 0 H ALA A 383 8.718 15.772 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 383 7.542 17.754 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 383 9.590 19.048 -10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 383 8.739 18.445 -9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 383 10.213 17.627 -9.804 1.00 0.00 H new ATOM 370 N ASN A 384 9.592 15.609 -12.418 1.00 0.00 N ATOM 371 CA ASN A 384 10.396 15.147 -13.556 1.00 0.00 C ATOM 372 C ASN A 384 9.538 14.968 -14.799 1.00 0.00 C ATOM 373 O ASN A 384 10.037 15.060 -15.922 1.00 0.00 O ATOM 374 CB ASN A 384 11.119 13.849 -13.197 1.00 0.00 C ATOM 375 CG ASN A 384 12.063 14.027 -12.013 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.228 14.368 -12.174 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.554 13.774 -10.807 1.00 0.00 N ATOM 0 H ASN A 384 9.346 14.875 -11.754 1.00 0.00 H new ATOM 0 HA ASN A 384 11.142 15.909 -13.781 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.385 13.079 -12.962 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.684 13.498 -14.061 1.00 0.00 H new ATOM 0 HD21 ASN A 384 12.140 13.862 -9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.578 13.492 -10.714 1.00 0.00 H new ATOM 384 N CYS A 385 8.248 14.701 -14.601 1.00 0.00 N ATOM 385 CA CYS A 385 7.331 14.670 -15.736 1.00 0.00 C ATOM 386 C CYS A 385 7.063 16.085 -16.206 1.00 0.00 C ATOM 387 O CYS A 385 6.400 16.863 -15.518 1.00 0.00 O ATOM 388 CB CYS A 385 6.014 13.922 -15.427 1.00 0.00 C ATOM 389 SG CYS A 385 5.129 14.498 -13.935 1.00 0.00 S ATOM 0 H CYS A 385 7.825 14.508 -13.693 1.00 0.00 H new ATOM 0 HA CYS A 385 7.811 14.105 -16.535 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.349 14.019 -16.285 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.235 12.861 -15.313 1.00 0.00 H new ATOM 0 HG CYS A 385 4.655 13.474 -13.289 1.00 0.00 H new ATOM 394 N TYR A 386 7.556 16.414 -17.397 1.00 0.00 N ATOM 395 CA TYR A 386 7.435 17.761 -17.951 1.00 0.00 C ATOM 396 C TYR A 386 6.102 17.918 -18.655 1.00 0.00 C ATOM 397 O TYR A 386 5.861 18.902 -19.368 1.00 0.00 O ATOM 398 CB TYR A 386 8.613 18.091 -18.880 1.00 0.00 C ATOM 399 CG TYR A 386 8.885 17.054 -19.959 1.00 0.00 C ATOM 400 CD1 TYR A 386 8.201 17.067 -21.174 1.00 0.00 C ATOM 401 CD2 TYR A 386 9.848 16.065 -19.764 1.00 0.00 C ATOM 402 CE1 TYR A 386 8.475 16.137 -22.156 1.00 0.00 C ATOM 403 CE2 TYR A 386 10.118 15.135 -20.747 1.00 0.00 C ATOM 404 CZ TYR A 386 9.430 15.181 -21.936 1.00 0.00 C ATOM 405 OH TYR A 386 9.712 14.245 -22.910 1.00 0.00 O ATOM 0 H TYR A 386 8.049 15.758 -18.003 1.00 0.00 H new ATOM 0 HA TYR A 386 7.470 18.478 -17.131 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.422 19.051 -19.359 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.512 18.210 -18.275 1.00 0.00 H new ATOM 0 HD1 TYR A 386 7.444 17.817 -21.349 1.00 0.00 H new ATOM 0 HD2 TYR A 386 10.390 16.026 -18.831 1.00 0.00 H new ATOM 0 HE1 TYR A 386 7.939 16.163 -23.093 1.00 0.00 H new ATOM 0 HE2 TYR A 386 10.867 14.374 -20.583 1.00 0.00 H new ATOM 0 HH TYR A 386 10.415 13.642 -22.590 1.00 0.00 H new ATOM 415 N ARG A 387 5.205 16.954 -18.434 1.00 0.00 N ATOM 416 CA ARG A 387 3.827 17.041 -18.896 1.00 0.00 C ATOM 417 C ARG A 387 3.132 18.192 -18.170 1.00 0.00 C ATOM 418 O ARG A 387 3.135 18.252 -16.940 1.00 0.00 O ATOM 419 CB ARG A 387 3.073 15.725 -18.622 1.00 0.00 C ATOM 420 CG ARG A 387 3.748 14.466 -19.192 1.00 0.00 C ATOM 421 CD ARG A 387 3.972 14.550 -20.701 1.00 0.00 C ATOM 422 NE ARG A 387 4.479 13.281 -21.234 1.00 0.00 N ATOM 423 CZ ARG A 387 5.529 13.160 -22.048 1.00 0.00 C ATOM 424 NH1 ARG A 387 6.192 14.239 -22.455 1.00 0.00 N ATOM 425 NH2 ARG A 387 5.902 11.966 -22.458 1.00 0.00 N ATOM 0 H ARG A 387 5.418 16.094 -17.930 1.00 0.00 H new ATOM 0 HA ARG A 387 3.824 17.219 -19.971 1.00 0.00 H new ATOM 0 HB2 ARG A 387 2.961 15.604 -17.545 1.00 0.00 H new ATOM 0 HB3 ARG A 387 2.069 15.803 -19.040 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.706 14.315 -18.694 1.00 0.00 H new ATOM 0 HG3 ARG A 387 3.132 13.595 -18.968 1.00 0.00 H new ATOM 0 HD2 ARG A 387 3.036 14.807 -21.196 1.00 0.00 H new ATOM 0 HD3 ARG A 387 4.680 15.349 -20.922 1.00 0.00 H new ATOM 0 HE ARG A 387 3.992 12.427 -20.962 1.00 0.00 H new ATOM 0 HH11 ARG A 387 5.898 15.165 -22.145 1.00 0.00 H new ATOM 0 HH12 ARG A 387 6.994 14.140 -23.077 1.00 0.00 H new ATOM 0 HH21 ARG A 387 5.389 11.139 -22.153 1.00 0.00 H new ATOM 0 HH22 ARG A 387 6.704 11.868 -23.080 1.00 0.00 H new ATOM 439 N LYS A 388 2.559 19.103 -18.936 1.00 0.00 N ATOM 440 CA LYS A 388 1.909 20.299 -18.382 1.00 0.00 C ATOM 441 C LYS A 388 0.449 20.294 -18.783 1.00 0.00 C ATOM 442 O LYS A 388 -0.305 21.222 -18.448 1.00 0.00 O ATOM 443 CB LYS A 388 2.623 21.587 -18.859 1.00 0.00 C ATOM 444 CG LYS A 388 2.563 21.844 -20.357 1.00 0.00 C ATOM 445 CD LYS A 388 3.619 21.050 -21.104 1.00 0.00 C ATOM 446 CE LYS A 388 3.658 21.411 -22.573 1.00 0.00 C ATOM 447 NZ LYS A 388 3.973 22.845 -22.788 1.00 0.00 N ATOM 0 H LYS A 388 2.526 19.045 -19.954 1.00 0.00 H new ATOM 0 HA LYS A 388 1.979 20.282 -17.294 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.183 22.440 -18.342 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.669 21.537 -18.557 1.00 0.00 H new ATOM 0 HG2 LYS A 388 1.575 21.579 -20.733 1.00 0.00 H new ATOM 0 HG3 LYS A 388 2.703 22.908 -20.550 1.00 0.00 H new ATOM 0 HD2 LYS A 388 4.596 21.235 -20.658 1.00 0.00 H new ATOM 0 HD3 LYS A 388 3.416 19.984 -20.997 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.404 20.797 -23.077 1.00 0.00 H new ATOM 0 HE3 LYS A 388 2.695 21.180 -23.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 4.255 22.994 -23.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 3.133 23.420 -22.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.752 23.127 -22.160 1.00 0.00 H new ATOM 461 N ASN A 389 0.055 19.253 -19.508 1.00 0.00 N ATOM 462 CA ASN A 389 -1.343 19.040 -19.851 1.00 0.00 C ATOM 463 C ASN A 389 -2.154 18.746 -18.591 1.00 0.00 C ATOM 464 O ASN A 389 -1.761 17.928 -17.754 1.00 0.00 O ATOM 465 CB ASN A 389 -1.504 17.883 -20.843 1.00 0.00 C ATOM 466 CG ASN A 389 -0.913 16.571 -20.330 1.00 0.00 C ATOM 467 OD1 ASN A 389 0.116 16.561 -19.650 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.546 15.463 -20.654 1.00 0.00 N ATOM 0 H ASN A 389 0.689 18.541 -19.870 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.712 19.951 -20.321 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.563 17.739 -21.056 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -1.022 18.149 -21.784 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.188 14.561 -20.341 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.395 15.507 -21.218 1.00 0.00 H new ATOM 475 N PRO A 390 -3.331 19.404 -18.439 1.00 0.00 N ATOM 476 CA PRO A 390 -4.140 19.305 -17.216 1.00 0.00 C ATOM 477 C PRO A 390 -4.577 17.863 -16.922 1.00 0.00 C ATOM 478 O PRO A 390 -4.848 17.498 -15.778 1.00 0.00 O ATOM 479 CB PRO A 390 -5.354 20.194 -17.520 1.00 0.00 C ATOM 480 CG PRO A 390 -5.382 20.335 -19.007 1.00 0.00 C ATOM 481 CD PRO A 390 -3.951 20.261 -19.457 1.00 0.00 C ATOM 0 HA PRO A 390 -3.585 19.614 -16.330 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.274 19.741 -17.151 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.260 21.166 -17.035 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -5.976 19.543 -19.463 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.835 21.282 -19.301 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -3.863 19.831 -20.455 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.487 21.247 -19.492 1.00 0.00 H new ATOM 489 N VAL A 391 -4.580 17.050 -17.972 1.00 0.00 N ATOM 490 CA VAL A 391 -4.953 15.647 -17.864 1.00 0.00 C ATOM 491 C VAL A 391 -3.928 14.869 -17.061 1.00 0.00 C ATOM 492 O VAL A 391 -4.290 14.031 -16.231 1.00 0.00 O ATOM 493 CB VAL A 391 -5.145 15.002 -19.265 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.344 13.506 -19.173 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.330 15.668 -19.983 1.00 0.00 C ATOM 0 H VAL A 391 -4.326 17.343 -18.915 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.907 15.605 -17.338 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.236 15.167 -19.843 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.474 13.094 -20.174 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.471 13.051 -18.704 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.230 13.293 -18.575 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.462 15.214 -20.965 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.237 15.530 -19.394 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.132 16.734 -20.100 1.00 0.00 H new ATOM 505 N HIS A 392 -2.648 15.191 -17.243 1.00 0.00 N ATOM 506 CA HIS A 392 -1.586 14.516 -16.499 1.00 0.00 C ATOM 507 C HIS A 392 -1.744 14.788 -14.985 1.00 0.00 C ATOM 508 O HIS A 392 -1.335 13.973 -14.147 1.00 0.00 O ATOM 509 CB HIS A 392 -0.220 14.980 -16.978 1.00 0.00 C ATOM 510 CG HIS A 392 0.919 14.324 -16.260 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.331 13.022 -16.474 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.734 14.811 -15.305 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.357 12.770 -15.648 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.650 13.833 -14.910 1.00 0.00 N ATOM 0 H HIS A 392 -2.323 15.908 -17.892 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.666 13.443 -16.675 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -0.130 14.779 -18.046 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.146 16.060 -16.850 1.00 0.00 H new ATOM 0 HD2 HIS A 392 1.686 15.812 -14.903 1.00 0.00 H new ATOM 0 HE1 HIS A 392 2.877 11.825 -15.591 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.384 13.918 -14.207 1.00 0.00 H new ATOM 522 N PHE A 393 -2.367 15.934 -14.676 1.00 0.00 N ATOM 523 CA PHE A 393 -2.559 16.361 -13.289 1.00 0.00 C ATOM 524 C PHE A 393 -3.902 15.887 -12.745 1.00 0.00 C ATOM 525 O PHE A 393 -4.088 15.824 -11.533 1.00 0.00 O ATOM 526 CB PHE A 393 -2.464 17.889 -13.191 1.00 0.00 C ATOM 527 CG PHE A 393 -1.107 18.434 -13.583 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.785 18.609 -14.926 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.166 18.762 -12.630 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.458 19.102 -15.301 1.00 0.00 C ATOM 531 CE2 PHE A 393 1.068 19.255 -12.990 1.00 0.00 C ATOM 532 CZ PHE A 393 1.385 19.430 -14.322 1.00 0.00 C ATOM 0 H PHE A 393 -2.745 16.579 -15.370 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.771 15.910 -12.686 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.225 18.335 -13.832 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.689 18.195 -12.169 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.511 18.358 -15.686 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.401 18.630 -11.584 1.00 0.00 H new ATOM 0 HE1 PHE A 393 0.701 19.229 -16.346 1.00 0.00 H new ATOM 0 HE2 PHE A 393 1.791 19.506 -12.227 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.352 19.821 -14.601 1.00 0.00 H new ATOM 542 N GLN A 394 -4.830 15.550 -13.641 1.00 0.00 N ATOM 543 CA GLN A 394 -6.170 15.143 -13.225 1.00 0.00 C ATOM 544 C GLN A 394 -6.151 13.740 -12.629 1.00 0.00 C ATOM 545 O GLN A 394 -7.018 13.404 -11.825 1.00 0.00 O ATOM 546 CB GLN A 394 -7.167 15.255 -14.407 1.00 0.00 C ATOM 547 CG GLN A 394 -7.096 14.124 -15.448 1.00 0.00 C ATOM 548 CD GLN A 394 -8.084 13.003 -15.199 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.792 12.044 -14.497 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.272 13.110 -15.801 1.00 0.00 N ATOM 0 H GLN A 394 -4.680 15.551 -14.650 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.511 15.821 -12.443 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.179 15.289 -14.003 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -6.994 16.204 -14.915 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.277 14.542 -16.438 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.087 13.712 -15.455 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.479 13.925 -16.379 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.972 12.377 -15.683 1.00 0.00 H new ATOM 559 N HIS A 395 -5.146 12.928 -12.991 1.00 0.00 N ATOM 560 CA HIS A 395 -4.995 11.574 -12.452 1.00 0.00 C ATOM 561 C HIS A 395 -3.707 11.392 -11.642 1.00 0.00 C ATOM 562 O HIS A 395 -3.535 10.390 -10.952 1.00 0.00 O ATOM 563 CB HIS A 395 -5.131 10.481 -13.529 1.00 0.00 C ATOM 564 CG HIS A 395 -4.618 10.835 -14.892 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.285 10.900 -15.204 1.00 0.00 N ATOM 566 CD2 HIS A 395 -5.274 11.092 -16.055 1.00 0.00 C ATOM 567 CE1 HIS A 395 -3.137 11.174 -16.489 1.00 0.00 C ATOM 568 NE2 HIS A 395 -4.329 11.281 -17.033 1.00 0.00 N ATOM 0 H HIS A 395 -4.422 13.191 -13.660 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.829 11.451 -11.761 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.604 9.591 -13.184 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.184 10.214 -13.617 1.00 0.00 H new ATOM 0 HD1 HIS A 395 -2.521 10.758 -14.543 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -6.345 11.139 -16.186 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -2.195 11.290 -17.005 1.00 0.00 H new ATOM 577 N PHE A 396 -2.796 12.357 -11.727 1.00 0.00 N ATOM 578 CA PHE A 396 -1.566 12.318 -10.907 1.00 0.00 C ATOM 579 C PHE A 396 -1.310 13.652 -10.219 1.00 0.00 C ATOM 580 O PHE A 396 -1.335 14.701 -10.858 1.00 0.00 O ATOM 581 CB PHE A 396 -0.329 11.931 -11.755 1.00 0.00 C ATOM 582 CG PHE A 396 -0.347 10.510 -12.248 1.00 0.00 C ATOM 583 CD1 PHE A 396 0.130 9.472 -11.456 1.00 0.00 C ATOM 584 CD2 PHE A 396 -0.841 10.215 -13.496 1.00 0.00 C ATOM 585 CE1 PHE A 396 0.107 8.166 -11.909 1.00 0.00 C ATOM 586 CE2 PHE A 396 -0.869 8.910 -13.955 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.396 7.880 -13.162 1.00 0.00 C ATOM 0 H PHE A 396 -2.873 13.167 -12.341 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.724 11.554 -10.146 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.264 12.602 -12.612 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.571 12.087 -11.159 1.00 0.00 H new ATOM 0 HD1 PHE A 396 0.524 9.689 -10.474 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -1.211 11.011 -14.125 1.00 0.00 H new ATOM 0 HE1 PHE A 396 0.482 7.370 -11.283 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -1.262 8.694 -14.938 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.420 6.861 -13.520 1.00 0.00 H new ATOM 597 N SER A 397 -1.033 13.581 -8.924 1.00 0.00 N ATOM 598 CA SER A 397 -0.701 14.747 -8.123 1.00 0.00 C ATOM 599 C SER A 397 0.772 15.069 -8.247 1.00 0.00 C ATOM 600 O SER A 397 1.593 14.183 -8.523 1.00 0.00 O ATOM 601 CB SER A 397 -1.085 14.480 -6.664 1.00 0.00 C ATOM 602 OG SER A 397 -0.555 13.239 -6.216 1.00 0.00 O ATOM 0 H SER A 397 -1.033 12.707 -8.398 1.00 0.00 H new ATOM 0 HA SER A 397 -1.260 15.610 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.713 15.287 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 397 -2.171 14.473 -6.566 1.00 0.00 H new ATOM 0 HG SER A 397 -1.052 12.936 -5.428 1.00 0.00 H new ATOM 608 N HIS A 398 1.130 16.330 -8.045 1.00 0.00 N ATOM 609 CA HIS A 398 2.501 16.786 -8.270 1.00 0.00 C ATOM 610 C HIS A 398 2.958 17.699 -7.127 1.00 0.00 C ATOM 611 O HIS A 398 2.128 18.232 -6.408 1.00 0.00 O ATOM 612 CB HIS A 398 2.589 17.510 -9.613 1.00 0.00 C ATOM 613 CG HIS A 398 2.393 16.592 -10.778 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.162 16.065 -11.137 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.289 16.081 -11.658 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.346 15.250 -12.178 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.628 15.231 -12.535 1.00 0.00 N ATOM 0 H HIS A 398 0.491 17.058 -7.725 1.00 0.00 H new ATOM 0 HA HIS A 398 3.165 15.922 -8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 398 1.837 18.298 -9.646 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.562 17.994 -9.697 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.346 16.300 -11.674 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.564 14.685 -12.663 1.00 0.00 H new ATOM 0 HE2 HIS A 398 3.042 14.698 -13.300 1.00 0.00 H new ATOM 625 N PRO A 399 4.277 17.876 -6.943 1.00 0.00 N ATOM 626 CA PRO A 399 4.812 18.705 -5.856 1.00 0.00 C ATOM 627 C PRO A 399 4.218 20.119 -5.879 1.00 0.00 C ATOM 628 O PRO A 399 4.597 20.951 -6.711 1.00 0.00 O ATOM 629 CB PRO A 399 6.332 18.715 -6.122 1.00 0.00 C ATOM 630 CG PRO A 399 6.472 18.262 -7.536 1.00 0.00 C ATOM 631 CD PRO A 399 5.348 17.298 -7.759 1.00 0.00 C ATOM 0 HA PRO A 399 4.564 18.318 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.752 19.711 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.858 18.048 -5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.410 19.104 -8.226 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.438 17.784 -7.702 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.069 17.234 -8.811 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.607 16.290 -7.436 1.00 0.00 H new ATOM 639 N GLY A 400 3.272 20.364 -4.971 1.00 0.00 N ATOM 640 CA GLY A 400 2.580 21.639 -4.892 1.00 0.00 C ATOM 641 C GLY A 400 1.069 21.450 -4.856 1.00 0.00 C ATOM 642 O GLY A 400 0.330 22.309 -4.362 1.00 0.00 O ATOM 0 H GLY A 400 2.969 19.683 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.903 22.175 -3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 400 2.851 22.255 -5.749 1.00 0.00 H new ATOM 646 N ASP A 401 0.627 20.308 -5.380 1.00 0.00 N ATOM 647 CA ASP A 401 -0.792 19.982 -5.463 1.00 0.00 C ATOM 648 C ASP A 401 -1.330 19.560 -4.102 1.00 0.00 C ATOM 649 O ASP A 401 -0.593 19.018 -3.271 1.00 0.00 O ATOM 650 CB ASP A 401 -1.025 18.859 -6.494 1.00 0.00 C ATOM 651 CG ASP A 401 -2.463 18.362 -6.516 1.00 0.00 C ATOM 652 OD1 ASP A 401 -3.373 19.143 -6.813 1.00 0.00 O ATOM 653 OD2 ASP A 401 -2.697 17.168 -6.218 1.00 0.00 O ATOM 0 H ASP A 401 1.241 19.586 -5.757 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.327 20.875 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.757 19.222 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.361 18.024 -6.270 1.00 0.00 H new ATOM 658 N SER A 402 -2.605 19.807 -3.887 1.00 0.00 N ATOM 659 CA SER A 402 -3.241 19.583 -2.601 1.00 0.00 C ATOM 660 C SER A 402 -3.317 18.091 -2.233 1.00 0.00 C ATOM 661 O SER A 402 -3.414 17.726 -1.063 1.00 0.00 O ATOM 662 CB SER A 402 -4.648 20.186 -2.618 1.00 0.00 C ATOM 663 OG SER A 402 -4.625 21.518 -3.087 1.00 0.00 O ATOM 0 H SER A 402 -3.235 20.171 -4.602 1.00 0.00 H new ATOM 0 HA SER A 402 -2.629 20.070 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 402 -5.297 19.584 -3.254 1.00 0.00 H new ATOM 0 HB3 SER A 402 -5.071 20.158 -1.614 1.00 0.00 H new ATOM 0 HG SER A 402 -5.536 21.880 -3.090 1.00 0.00 H new ATOM 669 N ASP A 403 -3.258 17.230 -3.261 1.00 0.00 N ATOM 670 CA ASP A 403 -3.460 15.796 -3.065 1.00 0.00 C ATOM 671 C ASP A 403 -2.156 15.044 -3.289 1.00 0.00 C ATOM 672 O ASP A 403 -2.152 13.823 -3.456 1.00 0.00 O ATOM 673 CB ASP A 403 -4.538 15.259 -4.020 1.00 0.00 C ATOM 674 CG ASP A 403 -5.954 15.735 -3.657 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.251 16.937 -3.831 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.767 14.911 -3.189 1.00 0.00 O ATOM 0 H ASP A 403 -3.073 17.504 -4.226 1.00 0.00 H new ATOM 0 HA ASP A 403 -3.794 15.639 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.304 15.574 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.514 14.169 -4.011 1.00 0.00 H new ATOM 681 N TYR A 404 -1.057 15.773 -3.292 1.00 0.00 N ATOM 682 CA TYR A 404 0.257 15.150 -3.523 1.00 0.00 C ATOM 683 C TYR A 404 0.685 14.373 -2.285 1.00 0.00 C ATOM 684 O TYR A 404 0.435 14.797 -1.154 1.00 0.00 O ATOM 685 CB TYR A 404 1.314 16.200 -3.894 1.00 0.00 C ATOM 686 CG TYR A 404 2.639 15.592 -4.313 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.710 14.718 -5.402 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.812 15.884 -3.645 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.907 14.170 -5.796 1.00 0.00 C ATOM 690 CE2 TYR A 404 5.021 15.332 -4.032 1.00 0.00 C ATOM 691 CZ TYR A 404 5.063 14.478 -5.106 1.00 0.00 C ATOM 692 OH TYR A 404 6.261 13.933 -5.496 1.00 0.00 O ATOM 0 H TYR A 404 -1.033 16.781 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 404 0.168 14.461 -4.363 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.933 16.819 -4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.477 16.859 -3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.809 14.469 -5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.785 16.558 -2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.944 13.500 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.925 15.572 -3.492 1.00 0.00 H new ATOM 0 HH TYR A 404 6.974 14.254 -4.905 1.00 0.00 H new ATOM 849 N ASP A 416 14.568 0.179 -2.541 1.00 0.00 N ATOM 850 CA ASP A 416 13.809 -0.621 -1.585 1.00 0.00 C ATOM 851 C ASP A 416 13.439 0.174 -0.321 1.00 0.00 C ATOM 852 O ASP A 416 12.604 -0.248 0.464 1.00 0.00 O ATOM 853 CB ASP A 416 14.614 -1.870 -1.180 1.00 0.00 C ATOM 854 CG ASP A 416 13.872 -2.757 -0.201 1.00 0.00 C ATOM 855 OD1 ASP A 416 12.984 -3.519 -0.627 1.00 0.00 O ATOM 856 OD2 ASP A 416 14.183 -2.705 1.015 1.00 0.00 O ATOM 0 HA ASP A 416 12.883 -0.914 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 416 14.856 -2.446 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 416 15.560 -1.559 -0.736 1.00 0.00 H new ATOM 861 N ASP A 417 14.084 1.329 -0.148 1.00 0.00 N ATOM 862 CA ASP A 417 13.938 2.136 1.065 1.00 0.00 C ATOM 863 C ASP A 417 14.583 1.418 2.260 1.00 0.00 C ATOM 864 O ASP A 417 13.905 0.827 3.092 1.00 0.00 O ATOM 865 CB ASP A 417 12.456 2.484 1.342 1.00 0.00 C ATOM 866 CG ASP A 417 12.261 3.360 2.576 1.00 0.00 C ATOM 867 OD1 ASP A 417 12.825 4.468 2.618 1.00 0.00 O ATOM 868 OD2 ASP A 417 11.512 2.959 3.488 1.00 0.00 O ATOM 0 H ASP A 417 14.718 1.729 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 417 14.460 3.081 0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 417 12.042 2.995 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 417 11.891 1.561 1.468 1.00 0.00 H new ATOM 873 N ARG A 418 15.909 1.423 2.283 1.00 0.00 N ATOM 874 CA ARG A 418 16.713 0.808 3.336 1.00 0.00 C ATOM 875 C ARG A 418 18.123 1.375 3.249 1.00 0.00 C ATOM 876 O ARG A 418 18.516 1.881 2.180 1.00 0.00 O ATOM 877 CB ARG A 418 16.740 -0.733 3.206 1.00 0.00 C ATOM 878 CG ARG A 418 17.091 -1.249 1.821 1.00 0.00 C ATOM 879 CD ARG A 418 17.297 -2.760 1.812 1.00 0.00 C ATOM 880 NE ARG A 418 17.395 -3.292 0.453 1.00 0.00 N ATOM 881 CZ ARG A 418 18.092 -4.393 0.112 1.00 0.00 C ATOM 882 NH1 ARG A 418 18.722 -5.099 1.031 1.00 0.00 N ATOM 883 NH2 ARG A 418 18.130 -4.773 -1.164 1.00 0.00 N ATOM 0 H ARG A 418 16.470 1.864 1.555 1.00 0.00 H new ATOM 0 HA ARG A 418 16.271 1.036 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 418 17.461 -1.131 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 418 15.762 -1.125 3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 418 16.295 -0.987 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 418 17.998 -0.757 1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 418 18.205 -3.005 2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 418 16.468 -3.242 2.331 1.00 0.00 H new ATOM 0 HE ARG A 418 16.901 -2.795 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 418 18.684 -4.813 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 418 19.247 -5.931 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 418 17.634 -4.232 -1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 418 18.655 -5.605 -1.433 1.00 0.00 H new ATOM 897 N PRO A 419 18.909 1.304 4.338 1.00 0.00 N ATOM 898 CA PRO A 419 20.259 1.882 4.380 1.00 0.00 C ATOM 899 C PRO A 419 21.191 1.209 3.376 1.00 0.00 C ATOM 900 O PRO A 419 21.170 -0.021 3.210 1.00 0.00 O ATOM 901 CB PRO A 419 20.728 1.615 5.832 1.00 0.00 C ATOM 902 CG PRO A 419 19.898 0.474 6.302 1.00 0.00 C ATOM 903 CD PRO A 419 18.561 0.631 5.622 1.00 0.00 C ATOM 0 HA PRO A 419 20.265 2.940 4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 419 21.790 1.370 5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 419 20.584 2.493 6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 419 20.360 -0.479 6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 419 19.789 0.490 7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 419 18.079 -0.332 5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 419 17.874 1.232 6.218 1.00 0.00 H new ATOM 911 N GLU A 420 21.987 1.998 2.663 1.00 0.00 N ATOM 912 CA GLU A 420 22.975 1.464 1.750 1.00 0.00 C ATOM 913 C GLU A 420 24.099 0.816 2.522 1.00 0.00 C ATOM 914 O GLU A 420 24.428 1.233 3.635 1.00 0.00 O ATOM 915 CB GLU A 420 23.519 2.544 0.808 1.00 0.00 C ATOM 916 CG GLU A 420 22.467 3.102 -0.132 1.00 0.00 C ATOM 917 CD GLU A 420 23.014 4.134 -1.103 1.00 0.00 C ATOM 918 OE1 GLU A 420 23.317 5.257 -0.667 1.00 0.00 O ATOM 919 OE2 GLU A 420 23.144 3.824 -2.301 1.00 0.00 O ATOM 0 H GLU A 420 21.962 3.017 2.705 1.00 0.00 H new ATOM 0 HA GLU A 420 22.487 0.710 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 420 23.936 3.358 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 420 24.337 2.126 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 420 22.023 2.282 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 420 21.668 3.554 0.456 1.00 0.00 H new ATOM 926 N CYS A 421 24.678 -0.219 1.949 1.00 0.00 N ATOM 927 CA CYS A 421 25.772 -0.938 2.557 1.00 0.00 C ATOM 928 C CYS A 421 26.901 0.013 2.905 1.00 0.00 C ATOM 929 O CYS A 421 27.233 0.908 2.133 1.00 0.00 O ATOM 930 CB CYS A 421 26.260 -2.020 1.592 1.00 0.00 C ATOM 931 SG CYS A 421 27.338 -3.290 2.332 1.00 0.00 S ATOM 0 H CYS A 421 24.398 -0.586 1.040 1.00 0.00 H new ATOM 0 HA CYS A 421 25.429 -1.407 3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 421 25.392 -2.513 1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 421 26.799 -1.540 0.775 1.00 0.00 H new ATOM 0 HG CYS A 421 27.565 -4.227 1.461 1.00 0.00 H new ATOM 936 N PRO A 422 27.511 -0.151 4.102 1.00 0.00 N ATOM 937 CA PRO A 422 28.593 0.730 4.554 1.00 0.00 C ATOM 938 C PRO A 422 29.797 0.712 3.608 1.00 0.00 C ATOM 939 O PRO A 422 30.672 1.568 3.692 1.00 0.00 O ATOM 940 CB PRO A 422 28.965 0.161 5.940 1.00 0.00 C ATOM 941 CG PRO A 422 28.403 -1.210 5.965 1.00 0.00 C ATOM 942 CD PRO A 422 27.163 -1.174 5.104 1.00 0.00 C ATOM 0 HA PRO A 422 28.285 1.775 4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 422 30.046 0.145 6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 422 28.548 0.772 6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 422 29.123 -1.933 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 422 28.161 -1.513 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 422 26.958 -2.141 4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 422 26.277 -0.899 5.677 1.00 0.00 H new ATOM 950 N TYR A 423 29.821 -0.291 2.712 1.00 0.00 N ATOM 951 CA TYR A 423 30.913 -0.422 1.734 1.00 0.00 C ATOM 952 C TYR A 423 30.383 -0.188 0.320 1.00 0.00 C ATOM 953 O TYR A 423 31.100 -0.451 -0.674 1.00 0.00 O ATOM 954 CB TYR A 423 31.527 -1.832 1.806 1.00 0.00 C ATOM 955 CG TYR A 423 31.945 -2.276 3.189 1.00 0.00 C ATOM 956 CD1 TYR A 423 31.003 -2.801 4.063 1.00 0.00 C ATOM 957 CD2 TYR A 423 33.266 -2.167 3.620 1.00 0.00 C ATOM 958 CE1 TYR A 423 31.366 -3.219 5.333 1.00 0.00 C ATOM 959 CE2 TYR A 423 33.634 -2.580 4.888 1.00 0.00 C ATOM 960 CZ TYR A 423 32.670 -3.115 5.741 1.00 0.00 C ATOM 961 OH TYR A 423 33.032 -3.530 6.994 1.00 0.00 O ATOM 0 H TYR A 423 29.105 -1.014 2.646 1.00 0.00 H new ATOM 0 HA TYR A 423 31.674 0.321 1.970 1.00 0.00 H new ATOM 0 HB2 TYR A 423 30.804 -2.547 1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 423 32.397 -1.867 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 423 29.973 -2.885 3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 423 34.011 -1.755 2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 423 30.622 -3.627 6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 423 34.659 -2.489 5.214 1.00 0.00 H new ATOM 0 HH TYR A 423 33.993 -3.387 7.121 1.00 0.00 H new ATOM 971 N GLY A 424 29.149 0.286 0.227 1.00 0.00 N ATOM 972 CA GLY A 424 28.500 0.489 -1.064 1.00 0.00 C ATOM 973 C GLY A 424 28.400 -0.805 -1.857 1.00 0.00 C ATOM 974 O GLY A 424 28.311 -1.883 -1.258 1.00 0.00 O ATOM 0 H GLY A 424 28.574 0.538 1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 424 27.502 0.898 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 424 29.060 1.226 -1.640 1.00 0.00 H new ATOM 978 N PRO A 425 28.396 -0.727 -3.189 1.00 0.00 N ATOM 979 CA PRO A 425 28.361 -1.907 -4.047 1.00 0.00 C ATOM 980 C PRO A 425 29.692 -2.670 -4.044 1.00 0.00 C ATOM 981 O PRO A 425 29.791 -3.808 -4.495 1.00 0.00 O ATOM 982 CB PRO A 425 28.073 -1.330 -5.449 1.00 0.00 C ATOM 983 CG PRO A 425 28.623 0.052 -5.386 1.00 0.00 C ATOM 984 CD PRO A 425 28.394 0.530 -3.984 1.00 0.00 C ATOM 0 HA PRO A 425 27.617 -2.630 -3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 425 28.556 -1.917 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 425 27.005 -1.326 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 425 29.685 0.060 -5.631 1.00 0.00 H new ATOM 0 HG3 PRO A 425 28.125 0.702 -6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 425 29.179 1.213 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 425 27.448 1.064 -3.890 1.00 0.00 H new ATOM 992 N SER A 426 30.730 -2.015 -3.502 1.00 0.00 N ATOM 993 CA SER A 426 32.027 -2.652 -3.369 1.00 0.00 C ATOM 994 C SER A 426 32.048 -3.576 -2.146 1.00 0.00 C ATOM 995 O SER A 426 33.051 -4.202 -1.836 1.00 0.00 O ATOM 996 CB SER A 426 33.131 -1.582 -3.238 1.00 0.00 C ATOM 997 OG SER A 426 34.414 -2.154 -3.151 1.00 0.00 O ATOM 0 H SER A 426 30.688 -1.057 -3.156 1.00 0.00 H new ATOM 0 HA SER A 426 32.213 -3.250 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 426 33.090 -0.913 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 426 32.944 -0.975 -2.352 1.00 0.00 H new ATOM 0 HG SER A 426 34.346 -3.055 -2.771 1.00 0.00 H new ATOM 1003 N CYS A 427 30.901 -3.641 -1.470 1.00 0.00 N ATOM 1004 CA CYS A 427 30.738 -4.523 -0.321 1.00 0.00 C ATOM 1005 C CYS A 427 30.959 -5.990 -0.714 1.00 0.00 C ATOM 1006 O CYS A 427 30.225 -6.542 -1.528 1.00 0.00 O ATOM 1007 CB CYS A 427 29.325 -4.331 0.230 1.00 0.00 C ATOM 1008 SG CYS A 427 28.960 -5.231 1.770 1.00 0.00 S ATOM 0 H CYS A 427 30.073 -3.092 -1.700 1.00 0.00 H new ATOM 0 HA CYS A 427 31.480 -4.273 0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 427 29.162 -3.267 0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 427 28.610 -4.643 -0.532 1.00 0.00 H new ATOM 0 HG CYS A 427 28.372 -4.432 2.610 1.00 0.00 H new ATOM 1013 N TYR A 428 31.987 -6.580 -0.127 1.00 0.00 N ATOM 1014 CA TYR A 428 32.315 -7.999 -0.344 1.00 0.00 C ATOM 1015 C TYR A 428 32.130 -8.779 0.949 1.00 0.00 C ATOM 1016 O TYR A 428 32.720 -9.839 1.144 1.00 0.00 O ATOM 1017 CB TYR A 428 33.759 -8.106 -0.875 1.00 0.00 C ATOM 1018 CG TYR A 428 34.790 -7.337 -0.049 1.00 0.00 C ATOM 1019 CD1 TYR A 428 35.348 -7.899 1.093 1.00 0.00 C ATOM 1020 CD2 TYR A 428 35.182 -6.056 -0.413 1.00 0.00 C ATOM 1021 CE1 TYR A 428 36.263 -7.200 1.845 1.00 0.00 C ATOM 1022 CE2 TYR A 428 36.094 -5.358 0.345 1.00 0.00 C ATOM 1023 CZ TYR A 428 36.629 -5.927 1.477 1.00 0.00 C ATOM 1024 OH TYR A 428 37.536 -5.238 2.245 1.00 0.00 O ATOM 0 H TYR A 428 32.621 -6.101 0.512 1.00 0.00 H new ATOM 0 HA TYR A 428 31.643 -8.432 -1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 428 34.046 -9.157 -0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 428 33.785 -7.739 -1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 428 35.060 -8.896 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 428 34.767 -5.602 -1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 428 36.695 -7.652 2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 428 36.390 -4.362 0.051 1.00 0.00 H new ATOM 0 HH TYR A 428 37.692 -4.354 1.853 1.00 0.00 H new ATOM 1034 N ARG A 429 31.297 -8.236 1.824 1.00 0.00 N ATOM 1035 CA ARG A 429 30.989 -8.859 3.109 1.00 0.00 C ATOM 1036 C ARG A 429 30.174 -10.125 2.885 1.00 0.00 C ATOM 1037 O ARG A 429 28.989 -10.061 2.510 1.00 0.00 O ATOM 1038 CB ARG A 429 30.239 -7.873 4.006 1.00 0.00 C ATOM 1039 CG ARG A 429 30.993 -6.575 4.262 1.00 0.00 C ATOM 1040 CD ARG A 429 32.318 -6.818 4.985 1.00 0.00 C ATOM 1041 NE ARG A 429 32.110 -7.373 6.321 1.00 0.00 N ATOM 1042 CZ ARG A 429 32.861 -7.098 7.389 1.00 0.00 C ATOM 1043 NH1 ARG A 429 33.903 -6.287 7.291 1.00 0.00 N ATOM 1044 NH2 ARG A 429 32.558 -7.665 8.552 1.00 0.00 N ATOM 0 H ARG A 429 30.814 -7.352 1.666 1.00 0.00 H new ATOM 0 HA ARG A 429 31.917 -9.132 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 429 29.278 -7.639 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 429 30.028 -8.354 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 429 31.184 -6.073 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 429 30.372 -5.906 4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 429 32.933 -7.501 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 429 32.868 -5.880 5.062 1.00 0.00 H new ATOM 0 HE ARG A 429 31.331 -8.020 6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 429 34.138 -5.865 6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 429 34.470 -6.084 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 429 31.762 -8.299 8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 429 33.121 -7.466 9.379 1.00 0.00 H new ATOM 1058 N LYS A 430 30.809 -11.271 3.109 1.00 0.00 N ATOM 1059 CA LYS A 430 30.197 -12.566 2.873 1.00 0.00 C ATOM 1060 C LYS A 430 29.221 -12.906 4.012 1.00 0.00 C ATOM 1061 O LYS A 430 29.583 -13.580 4.978 1.00 0.00 O ATOM 1062 CB LYS A 430 31.279 -13.640 2.760 1.00 0.00 C ATOM 1063 CG LYS A 430 32.251 -13.431 1.599 1.00 0.00 C ATOM 1064 CD LYS A 430 33.424 -14.417 1.642 1.00 0.00 C ATOM 1065 CE LYS A 430 32.963 -15.870 1.569 1.00 0.00 C ATOM 1066 NZ LYS A 430 32.267 -16.178 0.297 1.00 0.00 N ATOM 0 H LYS A 430 31.765 -11.324 3.460 1.00 0.00 H new ATOM 0 HA LYS A 430 29.639 -12.530 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 430 31.844 -13.670 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 430 30.800 -14.612 2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 430 31.717 -13.545 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 430 32.635 -12.411 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 430 34.100 -14.211 0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 430 33.991 -14.264 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 430 33.825 -16.528 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 430 32.296 -16.079 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 32.048 -17.194 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 31.384 -15.631 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 32.880 -15.925 -0.504 1.00 0.00 H new ATOM 1080 N ASN A 431 27.996 -12.402 3.897 1.00 0.00 N ATOM 1081 CA ASN A 431 26.945 -12.726 4.854 1.00 0.00 C ATOM 1082 C ASN A 431 25.577 -12.521 4.197 1.00 0.00 C ATOM 1083 O ASN A 431 25.245 -11.416 3.754 1.00 0.00 O ATOM 1084 CB ASN A 431 27.017 -11.836 6.110 1.00 0.00 C ATOM 1085 CG ASN A 431 26.084 -12.330 7.203 1.00 0.00 C ATOM 1086 OD1 ASN A 431 26.044 -13.512 7.502 1.00 0.00 O ATOM 1087 ND2 ASN A 431 25.294 -11.428 7.774 1.00 0.00 N ATOM 0 H ASN A 431 27.708 -11.769 3.151 1.00 0.00 H new ATOM 0 HA ASN A 431 27.085 -13.764 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 431 28.040 -11.818 6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 431 26.757 -10.811 5.845 1.00 0.00 H new ATOM 0 HD21 ASN A 431 24.625 -11.715 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 431 25.356 -10.448 7.498 1.00 0.00 H new ATOM 1094 N PRO A 432 24.769 -13.585 4.140 1.00 0.00 N ATOM 1095 CA PRO A 432 23.467 -13.553 3.448 1.00 0.00 C ATOM 1096 C PRO A 432 22.520 -12.484 4.015 1.00 0.00 C ATOM 1097 O PRO A 432 21.898 -11.742 3.251 1.00 0.00 O ATOM 1098 CB PRO A 432 22.904 -14.968 3.656 1.00 0.00 C ATOM 1099 CG PRO A 432 23.673 -15.533 4.809 1.00 0.00 C ATOM 1100 CD PRO A 432 25.030 -14.898 4.736 1.00 0.00 C ATOM 0 HA PRO A 432 23.575 -13.287 2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 432 21.836 -14.939 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 432 23.032 -15.578 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 432 23.184 -15.305 5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 432 23.743 -16.618 4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 432 25.483 -14.806 5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 432 25.715 -15.486 4.125 1.00 0.00 H new ATOM 1108 N GLN A 433 22.472 -12.393 5.340 1.00 0.00 N ATOM 1109 CA GLN A 433 21.536 -11.481 5.995 1.00 0.00 C ATOM 1110 C GLN A 433 21.936 -10.048 5.713 1.00 0.00 C ATOM 1111 O GLN A 433 21.085 -9.144 5.700 1.00 0.00 O ATOM 1112 CB GLN A 433 21.524 -11.739 7.518 1.00 0.00 C ATOM 1113 CG GLN A 433 20.525 -10.889 8.298 1.00 0.00 C ATOM 1114 CD GLN A 433 19.082 -11.159 7.889 1.00 0.00 C ATOM 1115 OE1 GLN A 433 18.585 -10.382 6.952 1.00 0.00 O flip ATOM 1116 NE2 GLN A 433 18.420 -12.064 8.412 1.00 0.00 N flip ATOM 0 H GLN A 433 23.061 -12.931 5.976 1.00 0.00 H new ATOM 0 HA GLN A 433 20.534 -11.655 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 433 21.301 -12.791 7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 433 22.523 -11.555 7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 433 20.640 -11.086 9.364 1.00 0.00 H new ATOM 0 HG3 GLN A 433 20.752 -9.834 8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 433 18.838 -12.648 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 433 17.457 -12.226 8.119 1.00 0.00 H new ATOM 1125 N HIS A 434 23.212 -9.831 5.458 1.00 0.00 N ATOM 1126 CA HIS A 434 23.746 -8.507 5.178 1.00 0.00 C ATOM 1127 C HIS A 434 23.098 -7.892 3.933 1.00 0.00 C ATOM 1128 O HIS A 434 22.508 -6.824 4.007 1.00 0.00 O ATOM 1129 CB HIS A 434 25.275 -8.567 5.015 1.00 0.00 C ATOM 1130 CG HIS A 434 25.842 -7.304 4.476 1.00 0.00 C ATOM 1131 ND1 HIS A 434 25.806 -6.122 5.148 1.00 0.00 N ATOM 1132 CD2 HIS A 434 26.403 -7.056 3.269 1.00 0.00 C ATOM 1133 CE1 HIS A 434 26.325 -5.179 4.361 1.00 0.00 C ATOM 1134 NE2 HIS A 434 26.703 -5.694 3.197 1.00 0.00 N ATOM 0 H HIS A 434 23.914 -10.571 5.439 1.00 0.00 H new ATOM 0 HA HIS A 434 23.508 -7.866 6.027 1.00 0.00 H new ATOM 0 HB2 HIS A 434 25.731 -8.783 5.981 1.00 0.00 H new ATOM 0 HB3 HIS A 434 25.534 -9.390 4.349 1.00 0.00 H new ATOM 0 HD2 HIS A 434 26.587 -7.786 2.495 1.00 0.00 H new ATOM 0 HE1 HIS A 434 26.424 -4.139 4.633 1.00 0.00 H new ATOM 0 HE2 HIS A 434 27.125 -5.197 2.412 1.00 0.00 H new ATOM 1142 N LYS A 435 23.233 -8.565 2.795 1.00 0.00 N ATOM 1143 CA LYS A 435 22.653 -8.094 1.544 1.00 0.00 C ATOM 1144 C LYS A 435 21.140 -7.958 1.660 1.00 0.00 C ATOM 1145 O LYS A 435 20.523 -7.160 0.948 1.00 0.00 O ATOM 1146 CB LYS A 435 23.000 -9.037 0.383 1.00 0.00 C ATOM 1147 CG LYS A 435 24.466 -8.996 -0.053 1.00 0.00 C ATOM 1148 CD LYS A 435 25.381 -9.840 0.836 1.00 0.00 C ATOM 1149 CE LYS A 435 25.063 -11.333 0.740 1.00 0.00 C ATOM 1150 NZ LYS A 435 25.309 -11.882 -0.610 1.00 0.00 N ATOM 0 H LYS A 435 23.743 -9.445 2.714 1.00 0.00 H new ATOM 0 HA LYS A 435 23.080 -7.113 1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 435 22.749 -10.057 0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 435 22.373 -8.785 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 435 24.543 -9.349 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 435 24.813 -7.963 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 435 26.419 -9.672 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 435 25.280 -9.515 1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 435 25.669 -11.877 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 435 24.020 -11.496 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 25.242 -12.919 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 24.599 -11.508 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 26.259 -11.605 -0.929 1.00 0.00 H new ATOM 1164 N ILE A 436 20.543 -8.721 2.561 1.00 0.00 N ATOM 1165 CA ILE A 436 19.108 -8.667 2.786 1.00 0.00 C ATOM 1166 C ILE A 436 18.704 -7.349 3.459 1.00 0.00 C ATOM 1167 O ILE A 436 17.756 -6.692 3.043 1.00 0.00 O ATOM 1168 CB ILE A 436 18.640 -9.857 3.656 1.00 0.00 C ATOM 1169 CG1 ILE A 436 18.864 -11.192 2.909 1.00 0.00 C ATOM 1170 CG2 ILE A 436 17.177 -9.723 4.060 1.00 0.00 C ATOM 1171 CD1 ILE A 436 18.444 -12.423 3.705 1.00 0.00 C ATOM 0 H ILE A 436 21.035 -9.390 3.153 1.00 0.00 H new ATOM 0 HA ILE A 436 18.623 -8.728 1.812 1.00 0.00 H new ATOM 0 HB ILE A 436 19.238 -9.850 4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 436 18.308 -11.170 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 436 19.919 -11.280 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 436 16.888 -10.579 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 436 17.040 -8.806 4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 436 16.554 -9.688 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 436 18.632 -13.320 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 436 19.018 -12.471 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 436 17.382 -12.359 3.940 1.00 0.00 H new ATOM 1183 N GLU A 437 19.447 -6.977 4.493 1.00 0.00 N ATOM 1184 CA GLU A 437 19.130 -5.777 5.267 1.00 0.00 C ATOM 1185 C GLU A 437 19.535 -4.497 4.530 1.00 0.00 C ATOM 1186 O GLU A 437 18.707 -3.597 4.356 1.00 0.00 O ATOM 1187 CB GLU A 437 19.817 -5.826 6.626 1.00 0.00 C ATOM 1188 CG GLU A 437 19.484 -7.087 7.426 1.00 0.00 C ATOM 1189 CD GLU A 437 18.020 -7.159 7.837 1.00 0.00 C ATOM 1190 OE1 GLU A 437 17.653 -6.619 8.905 1.00 0.00 O ATOM 1191 OE2 GLU A 437 17.217 -7.755 7.088 1.00 0.00 O ATOM 0 H GLU A 437 20.271 -7.484 4.817 1.00 0.00 H new ATOM 0 HA GLU A 437 18.049 -5.758 5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 437 20.896 -5.769 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 437 19.526 -4.949 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 437 19.732 -7.965 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 437 20.109 -7.120 8.319 1.00 0.00 H new ATOM 1198 N TYR A 438 20.794 -4.419 4.121 1.00 0.00 N ATOM 1199 CA TYR A 438 21.313 -3.205 3.463 1.00 0.00 C ATOM 1200 C TYR A 438 21.157 -3.309 1.951 1.00 0.00 C ATOM 1201 O TYR A 438 21.317 -4.392 1.390 1.00 0.00 O ATOM 1202 CB TYR A 438 22.808 -3.013 3.774 1.00 0.00 C ATOM 1203 CG TYR A 438 23.137 -2.638 5.203 1.00 0.00 C ATOM 1204 CD1 TYR A 438 23.184 -3.610 6.203 1.00 0.00 C ATOM 1205 CD2 TYR A 438 23.410 -1.329 5.545 1.00 0.00 C ATOM 1206 CE1 TYR A 438 23.482 -3.254 7.501 1.00 0.00 C ATOM 1207 CE2 TYR A 438 23.728 -0.969 6.841 1.00 0.00 C ATOM 1208 CZ TYR A 438 23.753 -1.942 7.817 1.00 0.00 C ATOM 1209 OH TYR A 438 24.085 -1.581 9.110 1.00 0.00 O ATOM 0 H TYR A 438 21.477 -5.169 4.227 1.00 0.00 H new ATOM 0 HA TYR A 438 20.742 -2.358 3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 438 23.333 -3.937 3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 438 23.201 -2.239 3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 438 22.986 -4.643 5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 438 23.374 -0.567 4.781 1.00 0.00 H new ATOM 0 HE1 TYR A 438 23.503 -4.008 8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 438 23.953 0.059 7.085 1.00 0.00 H new ATOM 0 HH TYR A 438 24.244 -0.615 9.149 1.00 0.00 H new ATOM 1219 N ARG A 439 20.872 -2.173 1.295 1.00 0.00 N ATOM 1220 CA ARG A 439 20.775 -2.144 -0.160 1.00 0.00 C ATOM 1221 C ARG A 439 22.144 -1.834 -0.753 1.00 0.00 C ATOM 1222 O ARG A 439 22.871 -0.978 -0.238 1.00 0.00 O ATOM 1223 CB ARG A 439 19.729 -1.112 -0.634 1.00 0.00 C ATOM 1224 CG ARG A 439 20.119 0.347 -0.414 1.00 0.00 C ATOM 1225 CD ARG A 439 19.018 1.316 -0.871 1.00 0.00 C ATOM 1226 NE ARG A 439 19.545 2.679 -1.044 1.00 0.00 N ATOM 1227 CZ ARG A 439 18.847 3.794 -0.814 1.00 0.00 C ATOM 1228 NH1 ARG A 439 17.583 3.736 -0.411 1.00 0.00 N ATOM 1229 NH2 ARG A 439 19.422 4.975 -0.989 1.00 0.00 N ATOM 0 H ARG A 439 20.707 -1.275 1.750 1.00 0.00 H new ATOM 0 HA ARG A 439 20.445 -3.123 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 439 19.543 -1.267 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 439 18.790 -1.304 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 439 20.329 0.510 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 439 21.039 0.562 -0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 439 18.590 0.967 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 439 18.211 1.326 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 439 20.509 2.779 -1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 439 17.133 2.831 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 439 17.062 4.596 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 439 20.393 5.029 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 439 18.894 5.830 -0.815 1.00 0.00 H new ATOM 1243 N HIS A 440 22.521 -2.542 -1.812 1.00 0.00 N ATOM 1244 CA HIS A 440 23.818 -2.337 -2.471 1.00 0.00 C ATOM 1245 C HIS A 440 23.601 -1.738 -3.856 1.00 0.00 C ATOM 1246 O HIS A 440 23.597 -2.439 -4.857 1.00 0.00 O ATOM 1247 CB HIS A 440 24.593 -3.651 -2.563 1.00 0.00 C ATOM 1248 CG HIS A 440 24.945 -4.225 -1.210 1.00 0.00 C ATOM 1249 ND1 HIS A 440 24.018 -4.795 -0.356 1.00 0.00 N ATOM 1250 CD2 HIS A 440 26.133 -4.285 -0.569 1.00 0.00 C ATOM 1251 CE1 HIS A 440 24.664 -5.174 0.759 1.00 0.00 C ATOM 1252 NE2 HIS A 440 25.966 -4.884 0.677 1.00 0.00 N ATOM 0 H HIS A 440 21.947 -3.269 -2.239 1.00 0.00 H new ATOM 0 HA HIS A 440 24.411 -1.643 -1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 440 24.000 -4.378 -3.117 1.00 0.00 H new ATOM 0 HB3 HIS A 440 25.509 -3.487 -3.131 1.00 0.00 H new ATOM 0 HD1 HIS A 440 23.021 -4.907 -0.540 1.00 0.00 H new ATOM 0 HD2 HIS A 440 27.071 -3.923 -0.964 1.00 0.00 H new ATOM 0 HE1 HIS A 440 24.194 -5.649 1.608 1.00 0.00 H new ATOM 1260 N ASN A 441 23.372 -0.419 -3.883 1.00 0.00 N ATOM 1261 CA ASN A 441 23.172 0.293 -5.136 1.00 0.00 C ATOM 1262 C ASN A 441 24.492 0.462 -5.853 1.00 0.00 C ATOM 1263 O ASN A 441 25.461 0.941 -5.270 1.00 0.00 O ATOM 1264 CB ASN A 441 22.554 1.685 -4.891 1.00 0.00 C ATOM 1265 CG ASN A 441 21.166 1.635 -4.270 1.00 0.00 C ATOM 1266 OD1 ASN A 441 20.800 2.683 -3.526 1.00 0.00 O flip ATOM 1267 ND2 ASN A 441 20.407 0.668 -4.456 1.00 0.00 N flip ATOM 0 H ASN A 441 23.322 0.169 -3.051 1.00 0.00 H new ATOM 0 HA ASN A 441 22.488 -0.295 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 441 23.214 2.257 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 441 22.500 2.221 -5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 441 20.714 -0.118 -5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 441 19.478 0.661 -4.036 1.00 0.00 H new ATOM 1274 N THR A 442 24.552 0.099 -7.132 1.00 0.00 N ATOM 1275 CA THR A 442 25.771 0.159 -7.902 1.00 0.00 C ATOM 1276 C THR A 442 25.935 1.552 -8.505 1.00 0.00 C ATOM 1277 O THR A 442 24.962 2.147 -8.960 1.00 0.00 O ATOM 1278 CB THR A 442 25.792 -0.909 -9.012 1.00 0.00 C ATOM 1279 OG1 THR A 442 24.552 -0.907 -9.718 1.00 0.00 O ATOM 1280 CG2 THR A 442 26.039 -2.290 -8.436 1.00 0.00 C ATOM 0 H THR A 442 23.748 -0.245 -7.657 1.00 0.00 H new ATOM 0 HA THR A 442 26.605 -0.046 -7.231 1.00 0.00 H new ATOM 0 HB THR A 442 26.605 -0.665 -9.696 1.00 0.00 H new ATOM 0 HG1 THR A 442 24.576 -1.588 -10.423 1.00 0.00 H new ATOM 0 HG21 THR A 442 26.049 -3.024 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 442 27.000 -2.303 -7.922 1.00 0.00 H new ATOM 0 HG23 THR A 442 25.246 -2.537 -7.730 1.00 0.00 H new ATOM 1288 N LEU A 443 27.154 2.037 -8.505 1.00 0.00 N ATOM 1289 CA LEU A 443 27.421 3.393 -8.963 1.00 0.00 C ATOM 1290 C LEU A 443 28.160 3.360 -10.307 1.00 0.00 C ATOM 1291 O LEU A 443 28.878 2.412 -10.610 1.00 0.00 O ATOM 1292 CB LEU A 443 28.204 4.169 -7.874 1.00 0.00 C ATOM 1293 CG LEU A 443 29.335 3.415 -7.159 1.00 0.00 C ATOM 1294 CD1 LEU A 443 30.500 3.125 -8.088 1.00 0.00 C ATOM 1295 CD2 LEU A 443 29.831 4.195 -5.931 1.00 0.00 C ATOM 0 H LEU A 443 27.978 1.521 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 443 26.482 3.921 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 443 28.629 5.061 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 443 27.492 4.506 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 443 28.918 2.463 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 443 31.277 2.591 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 443 30.157 2.513 -8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 443 30.904 4.063 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 443 30.631 3.637 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 443 30.206 5.169 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 443 29.007 4.333 -5.230 1.00 0.00 H new ATOM 1307 N PRO A 444 27.987 4.412 -11.149 1.00 0.00 N ATOM 1308 CA PRO A 444 28.575 4.444 -12.500 1.00 0.00 C ATOM 1309 C PRO A 444 30.105 4.433 -12.462 1.00 0.00 C ATOM 1310 O PRO A 444 30.740 3.632 -13.146 1.00 0.00 O ATOM 1311 CB PRO A 444 28.035 5.782 -13.094 1.00 0.00 C ATOM 1312 CG PRO A 444 27.671 6.599 -11.904 1.00 0.00 C ATOM 1313 CD PRO A 444 27.181 5.610 -10.871 1.00 0.00 C ATOM 0 HA PRO A 444 28.306 3.569 -13.092 1.00 0.00 H new ATOM 0 HB2 PRO A 444 28.791 6.280 -13.701 1.00 0.00 H new ATOM 0 HB3 PRO A 444 27.172 5.611 -13.737 1.00 0.00 H new ATOM 0 HG2 PRO A 444 28.530 7.159 -11.535 1.00 0.00 H new ATOM 0 HG3 PRO A 444 26.897 7.327 -12.149 1.00 0.00 H new ATOM 0 HD2 PRO A 444 27.339 5.975 -9.856 1.00 0.00 H new ATOM 0 HD3 PRO A 444 26.114 5.412 -10.976 1.00 0.00 H new ATOM 1321 N VAL A 445 30.678 5.316 -11.636 1.00 0.00 N ATOM 1322 CA VAL A 445 32.150 5.512 -11.561 1.00 0.00 C ATOM 1323 C VAL A 445 32.748 5.459 -12.960 1.00 0.00 C ATOM 1324 O VAL A 445 33.845 4.923 -13.184 1.00 0.00 O ATOM 1325 CB VAL A 445 32.840 4.490 -10.587 1.00 0.00 C ATOM 1326 CG1 VAL A 445 32.772 3.041 -11.081 1.00 0.00 C ATOM 1327 CG2 VAL A 445 34.301 4.929 -10.306 1.00 0.00 C ATOM 0 H VAL A 445 30.149 5.915 -11.002 1.00 0.00 H new ATOM 0 HA VAL A 445 32.341 6.499 -11.139 1.00 0.00 H new ATOM 0 HB VAL A 445 32.278 4.505 -9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 445 33.267 2.388 -10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 445 31.729 2.741 -11.186 1.00 0.00 H new ATOM 0 HG13 VAL A 445 33.271 2.962 -12.047 1.00 0.00 H new ATOM 0 HG21 VAL A 445 34.772 4.215 -9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 445 34.857 4.963 -11.243 1.00 0.00 H new ATOM 0 HG23 VAL A 445 34.302 5.918 -9.847 1.00 0.00 H new ATOM 1337 N ARG A 446 32.033 6.055 -13.917 1.00 0.00 N ATOM 1338 CA ARG A 446 32.393 5.987 -15.322 1.00 0.00 C ATOM 1339 C ARG A 446 33.318 7.144 -15.690 1.00 0.00 C ATOM 1340 O ARG A 446 33.403 8.123 -14.946 1.00 0.00 O ATOM 1341 CB ARG A 446 31.118 6.038 -16.184 1.00 0.00 C ATOM 1342 CG ARG A 446 31.334 5.725 -17.678 1.00 0.00 C ATOM 1343 CD ARG A 446 31.755 4.288 -17.901 1.00 0.00 C ATOM 1344 NE ARG A 446 32.083 4.031 -19.295 1.00 0.00 N ATOM 1345 CZ ARG A 446 32.338 2.816 -19.804 1.00 0.00 C ATOM 1346 NH1 ARG A 446 32.241 1.751 -19.021 1.00 0.00 N ATOM 1347 NH2 ARG A 446 32.666 2.678 -21.076 1.00 0.00 N ATOM 0 H ARG A 446 31.189 6.597 -13.732 1.00 0.00 H new ATOM 0 HA ARG A 446 32.918 5.050 -15.508 1.00 0.00 H new ATOM 0 HB2 ARG A 446 30.395 5.330 -15.780 1.00 0.00 H new ATOM 0 HB3 ARG A 446 30.676 7.030 -16.095 1.00 0.00 H new ATOM 0 HG2 ARG A 446 30.413 5.922 -18.227 1.00 0.00 H new ATOM 0 HG3 ARG A 446 32.095 6.393 -18.082 1.00 0.00 H new ATOM 0 HD2 ARG A 446 32.619 4.061 -17.277 1.00 0.00 H new ATOM 0 HD3 ARG A 446 30.952 3.621 -17.588 1.00 0.00 H new ATOM 0 HE ARG A 446 32.122 4.829 -19.929 1.00 0.00 H new ATOM 0 HH11 ARG A 446 31.975 1.860 -18.042 1.00 0.00 H new ATOM 0 HH12 ARG A 446 32.432 0.822 -19.397 1.00 0.00 H new ATOM 0 HH21 ARG A 446 32.727 3.499 -21.679 1.00 0.00 H new ATOM 0 HH22 ARG A 446 32.858 1.751 -21.455 1.00 0.00 H new ATOM 1361 N ASN A 447 34.028 7.041 -16.797 1.00 0.00 N ATOM 1362 CA ASN A 447 34.906 8.116 -17.278 1.00 0.00 C ATOM 1363 C ASN A 447 34.128 9.405 -17.457 1.00 0.00 C ATOM 1364 O ASN A 447 34.642 10.498 -17.206 1.00 0.00 O ATOM 1365 CB ASN A 447 35.593 7.715 -18.603 1.00 0.00 C ATOM 1366 CG ASN A 447 36.600 6.594 -18.416 1.00 0.00 C ATOM 1367 OD1 ASN A 447 37.235 6.452 -17.370 1.00 0.00 O ATOM 1368 ND2 ASN A 447 36.752 5.764 -19.431 1.00 0.00 N ATOM 0 H ASN A 447 34.020 6.215 -17.395 1.00 0.00 H new ATOM 0 HA ASN A 447 35.679 8.280 -16.527 1.00 0.00 H new ATOM 0 HB2 ASN A 447 34.836 7.403 -19.322 1.00 0.00 H new ATOM 0 HB3 ASN A 447 36.096 8.585 -19.026 1.00 0.00 H new ATOM 0 HD21 ASN A 447 37.406 4.985 -19.359 1.00 0.00 H new ATOM 0 HD22 ASN A 447 36.215 5.902 -20.287 1.00 0.00 H new ATOM 1375 N VAL A 448 32.878 9.289 -17.890 1.00 0.00 N ATOM 1376 CA VAL A 448 32.006 10.458 -18.034 1.00 0.00 C ATOM 1377 C VAL A 448 31.177 10.705 -16.778 1.00 0.00 C ATOM 1378 O VAL A 448 31.002 9.801 -15.930 1.00 0.00 O ATOM 1379 CB VAL A 448 31.086 10.311 -19.274 1.00 0.00 C ATOM 1380 CG1 VAL A 448 31.896 10.189 -20.552 1.00 0.00 C ATOM 1381 CG2 VAL A 448 30.134 9.128 -19.091 1.00 0.00 C ATOM 0 H VAL A 448 32.443 8.403 -18.148 1.00 0.00 H new ATOM 0 HA VAL A 448 32.649 11.326 -18.179 1.00 0.00 H new ATOM 0 HB VAL A 448 30.485 11.216 -19.366 1.00 0.00 H new ATOM 0 HG11 VAL A 448 31.221 10.087 -21.402 1.00 0.00 H new ATOM 0 HG12 VAL A 448 32.510 11.081 -20.680 1.00 0.00 H new ATOM 0 HG13 VAL A 448 32.539 9.311 -20.493 1.00 0.00 H new ATOM 0 HG21 VAL A 448 29.494 9.037 -19.969 1.00 0.00 H new ATOM 0 HG22 VAL A 448 30.712 8.212 -18.966 1.00 0.00 H new ATOM 0 HG23 VAL A 448 29.517 9.291 -18.208 1.00 0.00 H new