USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 357 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 Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 394 THR OG1 : rot 81:sc= 1.13 USER MOD Single : A 396 CYS SG : rot 86:sc= -0.0118 USER MOD Single : B 378 SER OG : rot 180:sc= 0 USER MOD Single : B 379 TYR OH : rot 180:sc= 0 USER MOD Single : B 394 THR OG1 : rot 81:sc= 0.905 USER MOD Single : B 396 CYS SG : rot 84:sc= -0.0333 USER MOD ----------------------------------------------------------------- ATOM 277 N LEU A 377 -2.751 6.449 -8.527 1.00 0.00 N ATOM 278 CA LEU A 377 -3.815 5.590 -8.017 1.00 0.00 C ATOM 279 C LEU A 377 -4.038 4.395 -8.938 1.00 0.00 C ATOM 280 O LEU A 377 -4.379 3.303 -8.482 1.00 0.00 O ATOM 281 CB LEU A 377 -5.114 6.386 -7.873 1.00 0.00 C ATOM 282 CG LEU A 377 -5.252 7.219 -6.598 1.00 0.00 C ATOM 283 CD1 LEU A 377 -6.401 8.206 -6.728 1.00 0.00 C ATOM 284 CD2 LEU A 377 -5.456 6.316 -5.390 1.00 0.00 C ATOM 0 HA LEU A 377 -3.512 5.219 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -5.205 7.053 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.951 5.689 -7.920 1.00 0.00 H new ATOM 0 HG LEU A 377 -4.330 7.783 -6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -6.484 8.790 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -6.213 8.874 -7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -7.330 7.662 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -5.552 6.926 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.362 5.725 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -4.600 5.649 -5.286 1.00 0.00 H new ATOM 296 N SER A 378 -3.839 4.608 -10.235 1.00 0.00 N ATOM 297 CA SER A 378 -4.020 3.548 -11.220 1.00 0.00 C ATOM 298 C SER A 378 -3.298 2.275 -10.787 1.00 0.00 C ATOM 299 O SER A 378 -3.756 1.165 -11.060 1.00 0.00 O ATOM 300 CB SER A 378 -3.504 4.000 -12.587 1.00 0.00 C ATOM 301 OG SER A 378 -2.115 4.274 -12.543 1.00 0.00 O ATOM 0 H SER A 378 -3.553 5.505 -10.628 1.00 0.00 H new ATOM 0 HA SER A 378 -5.086 3.333 -11.295 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.702 3.225 -13.328 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.044 4.892 -12.906 1.00 0.00 H new ATOM 0 HG SER A 378 -1.810 4.559 -13.429 1.00 0.00 H new ATOM 307 N TYR A 379 -2.168 2.445 -10.111 1.00 0.00 N ATOM 308 CA TYR A 379 -1.380 1.311 -9.642 1.00 0.00 C ATOM 309 C TYR A 379 -2.129 0.537 -8.562 1.00 0.00 C ATOM 310 O TYR A 379 -2.318 -0.674 -8.667 1.00 0.00 O ATOM 311 CB TYR A 379 -0.032 1.789 -9.100 1.00 0.00 C ATOM 312 CG TYR A 379 1.000 0.689 -8.988 1.00 0.00 C ATOM 313 CD1 TYR A 379 1.454 0.018 -10.116 1.00 0.00 C ATOM 314 CD2 TYR A 379 1.519 0.320 -7.753 1.00 0.00 C ATOM 315 CE1 TYR A 379 2.396 -0.988 -10.018 1.00 0.00 C ATOM 316 CE2 TYR A 379 2.462 -0.683 -7.646 1.00 0.00 C ATOM 317 CZ TYR A 379 2.897 -1.334 -8.781 1.00 0.00 C ATOM 318 OH TYR A 379 3.836 -2.336 -8.678 1.00 0.00 O ATOM 0 H TYR A 379 -1.777 3.357 -9.875 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.209 0.646 -10.488 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.354 2.573 -9.751 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -0.183 2.236 -8.117 1.00 0.00 H new ATOM 0 HD1 TYR A 379 1.064 0.287 -11.086 1.00 0.00 H new ATOM 0 HD2 TYR A 379 1.179 0.826 -6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 379 2.738 -1.500 -10.905 1.00 0.00 H new ATOM 0 HE2 TYR A 379 2.857 -0.956 -6.679 1.00 0.00 H new ATOM 0 HH TYR A 379 4.085 -2.455 -7.738 1.00 0.00 H new ATOM 328 N GLY A 380 -2.555 1.247 -7.521 1.00 0.00 N ATOM 329 CA GLY A 380 -3.280 0.612 -6.436 1.00 0.00 C ATOM 330 C GLY A 380 -4.651 0.126 -6.861 1.00 0.00 C ATOM 331 O GLY A 380 -4.995 -1.038 -6.659 1.00 0.00 O ATOM 0 H GLY A 380 -2.411 2.251 -7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 380 -2.700 -0.231 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 380 -3.387 1.318 -5.613 1.00 0.00 H new ATOM 335 N VAL A 381 -5.439 1.021 -7.449 1.00 0.00 N ATOM 336 CA VAL A 381 -6.781 0.678 -7.903 1.00 0.00 C ATOM 337 C VAL A 381 -6.737 -0.389 -8.991 1.00 0.00 C ATOM 338 O VAL A 381 -7.421 -1.408 -8.904 1.00 0.00 O ATOM 339 CB VAL A 381 -7.525 1.914 -8.442 1.00 0.00 C ATOM 340 CG1 VAL A 381 -9.012 1.624 -8.581 1.00 0.00 C ATOM 341 CG2 VAL A 381 -7.290 3.113 -7.536 1.00 0.00 C ATOM 0 H VAL A 381 -5.170 1.990 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 381 -7.318 0.289 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 381 -7.132 2.151 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 381 -9.521 2.509 -8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 381 -9.158 0.794 -9.273 1.00 0.00 H new ATOM 0 HG13 VAL A 381 -9.424 1.361 -7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 381 -7.823 3.978 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 381 -7.655 2.889 -6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 381 -6.223 3.333 -7.493 1.00 0.00 H new ATOM 351 N GLY A 382 -5.927 -0.148 -10.017 1.00 0.00 N ATOM 352 CA GLY A 382 -5.808 -1.097 -11.108 1.00 0.00 C ATOM 353 C GLY A 382 -5.508 -2.502 -10.624 1.00 0.00 C ATOM 354 O GLY A 382 -6.155 -3.462 -11.042 1.00 0.00 O ATOM 0 H GLY A 382 -5.351 0.688 -10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -6.734 -1.104 -11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.017 -0.772 -11.784 1.00 0.00 H new ATOM 358 N PHE A 383 -4.522 -2.624 -9.741 1.00 0.00 N ATOM 359 CA PHE A 383 -4.135 -3.922 -9.201 1.00 0.00 C ATOM 360 C PHE A 383 -5.268 -4.528 -8.378 1.00 0.00 C ATOM 361 O PHE A 383 -5.434 -5.747 -8.332 1.00 0.00 O ATOM 362 CB PHE A 383 -2.879 -3.786 -8.339 1.00 0.00 C ATOM 363 CG PHE A 383 -2.236 -5.101 -8.004 1.00 0.00 C ATOM 364 CD1 PHE A 383 -1.845 -5.973 -9.008 1.00 0.00 C ATOM 365 CD2 PHE A 383 -2.024 -5.467 -6.684 1.00 0.00 C ATOM 366 CE1 PHE A 383 -1.253 -7.184 -8.703 1.00 0.00 C ATOM 367 CE2 PHE A 383 -1.432 -6.677 -6.373 1.00 0.00 C ATOM 368 CZ PHE A 383 -1.048 -7.537 -7.383 1.00 0.00 C ATOM 0 H PHE A 383 -3.976 -1.839 -9.384 1.00 0.00 H new ATOM 0 HA PHE A 383 -3.922 -4.587 -10.038 1.00 0.00 H new ATOM 0 HB2 PHE A 383 -2.156 -3.160 -8.861 1.00 0.00 H new ATOM 0 HB3 PHE A 383 -3.137 -3.271 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 383 -2.005 -5.703 -10.041 1.00 0.00 H new ATOM 0 HD2 PHE A 383 -2.325 -4.800 -5.890 1.00 0.00 H new ATOM 0 HE1 PHE A 383 -0.951 -7.853 -9.495 1.00 0.00 H new ATOM 0 HE2 PHE A 383 -1.270 -6.950 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 383 -0.588 -8.484 -7.141 1.00 0.00 H new ATOM 378 N PHE A 384 -6.044 -3.668 -7.727 1.00 0.00 N ATOM 379 CA PHE A 384 -7.160 -4.117 -6.903 1.00 0.00 C ATOM 380 C PHE A 384 -8.189 -4.867 -7.744 1.00 0.00 C ATOM 381 O PHE A 384 -8.590 -5.982 -7.407 1.00 0.00 O ATOM 382 CB PHE A 384 -7.822 -2.925 -6.209 1.00 0.00 C ATOM 383 CG PHE A 384 -8.458 -3.273 -4.894 1.00 0.00 C ATOM 384 CD1 PHE A 384 -9.356 -4.324 -4.801 1.00 0.00 C ATOM 385 CD2 PHE A 384 -8.156 -2.551 -3.751 1.00 0.00 C ATOM 386 CE1 PHE A 384 -9.943 -4.646 -3.592 1.00 0.00 C ATOM 387 CE2 PHE A 384 -8.739 -2.869 -2.539 1.00 0.00 C ATOM 388 CZ PHE A 384 -9.633 -3.919 -2.459 1.00 0.00 C ATOM 0 H PHE A 384 -5.920 -2.656 -7.754 1.00 0.00 H new ATOM 0 HA PHE A 384 -6.770 -4.797 -6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 384 -7.075 -2.148 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 384 -8.580 -2.505 -6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 384 -9.600 -4.898 -5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 384 -7.457 -1.730 -3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 384 -10.644 -5.466 -3.533 1.00 0.00 H new ATOM 0 HE2 PHE A 384 -8.496 -2.297 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 384 -10.089 -4.171 -1.513 1.00 0.00 H new ATOM 398 N LEU A 385 -8.615 -4.246 -8.839 1.00 0.00 N ATOM 399 CA LEU A 385 -9.598 -4.854 -9.729 1.00 0.00 C ATOM 400 C LEU A 385 -9.053 -6.136 -10.349 1.00 0.00 C ATOM 401 O LEU A 385 -9.713 -7.175 -10.332 1.00 0.00 O ATOM 402 CB LEU A 385 -9.994 -3.869 -10.831 1.00 0.00 C ATOM 403 CG LEU A 385 -10.193 -2.417 -10.394 1.00 0.00 C ATOM 404 CD1 LEU A 385 -10.857 -1.613 -11.501 1.00 0.00 C ATOM 405 CD2 LEU A 385 -11.018 -2.353 -9.117 1.00 0.00 C ATOM 0 H LEU A 385 -8.295 -3.323 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 385 -10.480 -5.105 -9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -9.227 -3.893 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -10.919 -4.220 -11.289 1.00 0.00 H new ATOM 0 HG LEU A 385 -9.215 -1.980 -10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -10.991 -0.582 -11.172 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -10.228 -1.631 -12.391 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -11.829 -2.048 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -11.150 -1.312 -8.821 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -11.994 -2.807 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -10.503 -2.894 -8.323 1.00 0.00 H new ATOM 417 N PHE A 386 -7.843 -6.057 -10.893 1.00 0.00 N ATOM 418 CA PHE A 386 -7.209 -7.212 -11.517 1.00 0.00 C ATOM 419 C PHE A 386 -6.997 -8.331 -10.502 1.00 0.00 C ATOM 420 O PHE A 386 -7.117 -9.512 -10.830 1.00 0.00 O ATOM 421 CB PHE A 386 -5.869 -6.811 -12.137 1.00 0.00 C ATOM 422 CG PHE A 386 -5.494 -7.632 -13.337 1.00 0.00 C ATOM 423 CD1 PHE A 386 -4.967 -8.904 -13.185 1.00 0.00 C ATOM 424 CD2 PHE A 386 -5.669 -7.132 -14.618 1.00 0.00 C ATOM 425 CE1 PHE A 386 -4.620 -9.662 -14.288 1.00 0.00 C ATOM 426 CE2 PHE A 386 -5.325 -7.885 -15.724 1.00 0.00 C ATOM 427 CZ PHE A 386 -4.801 -9.153 -15.559 1.00 0.00 C ATOM 0 H PHE A 386 -7.282 -5.205 -10.914 1.00 0.00 H new ATOM 0 HA PHE A 386 -7.871 -7.578 -12.302 1.00 0.00 H new ATOM 0 HB2 PHE A 386 -5.911 -5.760 -12.424 1.00 0.00 H new ATOM 0 HB3 PHE A 386 -5.087 -6.905 -11.384 1.00 0.00 H new ATOM 0 HD1 PHE A 386 -4.826 -9.308 -12.194 1.00 0.00 H new ATOM 0 HD2 PHE A 386 -6.079 -6.142 -14.753 1.00 0.00 H new ATOM 0 HE1 PHE A 386 -4.208 -10.651 -14.156 1.00 0.00 H new ATOM 0 HE2 PHE A 386 -5.465 -7.483 -16.717 1.00 0.00 H new ATOM 0 HZ PHE A 386 -4.534 -9.745 -16.422 1.00 0.00 H new ATOM 437 N ILE A 387 -6.681 -7.951 -9.268 1.00 0.00 N ATOM 438 CA ILE A 387 -6.453 -8.921 -8.205 1.00 0.00 C ATOM 439 C ILE A 387 -7.764 -9.548 -7.742 1.00 0.00 C ATOM 440 O ILE A 387 -7.809 -10.724 -7.380 1.00 0.00 O ATOM 441 CB ILE A 387 -5.750 -8.277 -6.996 1.00 0.00 C ATOM 442 CG1 ILE A 387 -4.248 -8.149 -7.259 1.00 0.00 C ATOM 443 CG2 ILE A 387 -6.006 -9.093 -5.737 1.00 0.00 C ATOM 444 CD1 ILE A 387 -3.542 -9.481 -7.383 1.00 0.00 C ATOM 0 H ILE A 387 -6.577 -6.978 -8.980 1.00 0.00 H new ATOM 0 HA ILE A 387 -5.808 -9.696 -8.619 1.00 0.00 H new ATOM 0 HB ILE A 387 -6.159 -7.278 -6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 387 -4.095 -7.579 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 387 -3.793 -7.579 -6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 387 -5.502 -8.625 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 387 -7.078 -9.136 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 387 -5.621 -10.104 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 387 -2.481 -9.314 -7.569 1.00 0.00 H new ATOM 0 HD12 ILE A 387 -3.664 -10.045 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 387 -3.971 -10.045 -8.211 1.00 0.00 H new ATOM 456 N LEU A 388 -8.830 -8.755 -7.759 1.00 0.00 N ATOM 457 CA LEU A 388 -10.144 -9.233 -7.343 1.00 0.00 C ATOM 458 C LEU A 388 -10.633 -10.350 -8.258 1.00 0.00 C ATOM 459 O LEU A 388 -11.098 -11.390 -7.792 1.00 0.00 O ATOM 460 CB LEU A 388 -11.151 -8.081 -7.344 1.00 0.00 C ATOM 461 CG LEU A 388 -11.115 -7.157 -6.125 1.00 0.00 C ATOM 462 CD1 LEU A 388 -11.892 -5.879 -6.401 1.00 0.00 C ATOM 463 CD2 LEU A 388 -11.671 -7.868 -4.900 1.00 0.00 C ATOM 0 H LEU A 388 -8.810 -7.779 -8.056 1.00 0.00 H new ATOM 0 HA LEU A 388 -10.055 -9.630 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 388 -10.983 -7.479 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 388 -12.153 -8.501 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 388 -10.077 -6.891 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 388 -11.855 -5.234 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 388 -11.449 -5.360 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 388 -12.929 -6.126 -6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 388 -11.638 -7.196 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 388 -12.703 -8.165 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 388 -11.071 -8.754 -4.690 1.00 0.00 H new ATOM 475 N VAL A 389 -10.522 -10.129 -9.565 1.00 0.00 N ATOM 476 CA VAL A 389 -10.949 -11.119 -10.546 1.00 0.00 C ATOM 477 C VAL A 389 -9.956 -12.273 -10.631 1.00 0.00 C ATOM 478 O VAL A 389 -10.346 -13.431 -10.785 1.00 0.00 O ATOM 479 CB VAL A 389 -11.109 -10.491 -11.944 1.00 0.00 C ATOM 480 CG1 VAL A 389 -11.643 -11.516 -12.932 1.00 0.00 C ATOM 481 CG2 VAL A 389 -12.019 -9.274 -11.879 1.00 0.00 C ATOM 0 H VAL A 389 -10.140 -9.273 -9.968 1.00 0.00 H new ATOM 0 HA VAL A 389 -11.915 -11.498 -10.213 1.00 0.00 H new ATOM 0 HB VAL A 389 -10.129 -10.165 -12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 389 -11.749 -11.054 -13.914 1.00 0.00 H new ATOM 0 HG12 VAL A 389 -10.949 -12.354 -12.998 1.00 0.00 H new ATOM 0 HG13 VAL A 389 -12.614 -11.876 -12.593 1.00 0.00 H new ATOM 0 HG21 VAL A 389 -12.121 -8.843 -12.875 1.00 0.00 H new ATOM 0 HG22 VAL A 389 -13.000 -9.573 -11.510 1.00 0.00 H new ATOM 0 HG23 VAL A 389 -11.588 -8.533 -11.205 1.00 0.00 H new ATOM 491 N VAL A 390 -8.671 -11.950 -10.528 1.00 0.00 N ATOM 492 CA VAL A 390 -7.622 -12.960 -10.591 1.00 0.00 C ATOM 493 C VAL A 390 -7.638 -13.848 -9.351 1.00 0.00 C ATOM 494 O VAL A 390 -7.702 -15.072 -9.453 1.00 0.00 O ATOM 495 CB VAL A 390 -6.230 -12.315 -10.729 1.00 0.00 C ATOM 496 CG1 VAL A 390 -5.143 -13.298 -10.321 1.00 0.00 C ATOM 497 CG2 VAL A 390 -6.009 -11.824 -12.152 1.00 0.00 C ATOM 0 H VAL A 390 -8.331 -10.997 -10.401 1.00 0.00 H new ATOM 0 HA VAL A 390 -7.822 -13.569 -11.473 1.00 0.00 H new ATOM 0 HB VAL A 390 -6.179 -11.456 -10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.167 -12.825 -10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.293 -13.596 -9.283 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.189 -14.178 -10.962 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.021 -11.371 -12.231 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -6.079 -12.665 -12.842 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -6.768 -11.084 -12.404 1.00 0.00 H new ATOM 507 N ALA A 391 -7.580 -13.221 -8.181 1.00 0.00 N ATOM 508 CA ALA A 391 -7.591 -13.953 -6.921 1.00 0.00 C ATOM 509 C ALA A 391 -8.878 -14.755 -6.763 1.00 0.00 C ATOM 510 O ALA A 391 -8.860 -15.888 -6.282 1.00 0.00 O ATOM 511 CB ALA A 391 -7.416 -12.995 -5.752 1.00 0.00 C ATOM 0 H ALA A 391 -7.525 -12.208 -8.080 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.756 -14.654 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -7.426 -13.556 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -6.465 -12.471 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.231 -12.271 -5.750 1.00 0.00 H new ATOM 517 N ALA A 392 -9.994 -14.159 -7.169 1.00 0.00 N ATOM 518 CA ALA A 392 -11.291 -14.818 -7.074 1.00 0.00 C ATOM 519 C ALA A 392 -11.302 -16.124 -7.860 1.00 0.00 C ATOM 520 O ALA A 392 -11.683 -17.172 -7.338 1.00 0.00 O ATOM 521 CB ALA A 392 -12.392 -13.892 -7.569 1.00 0.00 C ATOM 0 H ALA A 392 -10.026 -13.220 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 392 -11.475 -15.054 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 392 -13.355 -14.398 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 392 -12.408 -12.988 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 392 -12.204 -13.626 -8.609 1.00 0.00 H new ATOM 527 N VAL A 393 -10.883 -16.055 -9.120 1.00 0.00 N ATOM 528 CA VAL A 393 -10.844 -17.232 -9.979 1.00 0.00 C ATOM 529 C VAL A 393 -9.902 -18.291 -9.417 1.00 0.00 C ATOM 530 O VAL A 393 -10.294 -19.440 -9.209 1.00 0.00 O ATOM 531 CB VAL A 393 -10.398 -16.870 -11.408 1.00 0.00 C ATOM 532 CG1 VAL A 393 -10.312 -18.118 -12.273 1.00 0.00 C ATOM 533 CG2 VAL A 393 -11.348 -15.852 -12.020 1.00 0.00 C ATOM 0 H VAL A 393 -10.566 -15.196 -9.568 1.00 0.00 H new ATOM 0 HA VAL A 393 -11.857 -17.632 -10.014 1.00 0.00 H new ATOM 0 HB VAL A 393 -9.405 -16.423 -11.358 1.00 0.00 H new ATOM 0 HG11 VAL A 393 -9.995 -17.842 -13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 393 -9.589 -18.810 -11.842 1.00 0.00 H new ATOM 0 HG13 VAL A 393 -11.290 -18.597 -12.319 1.00 0.00 H new ATOM 0 HG21 VAL A 393 -11.018 -15.607 -13.030 1.00 0.00 H new ATOM 0 HG22 VAL A 393 -12.354 -16.270 -12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 393 -11.354 -14.948 -11.411 1.00 0.00 H new ATOM 543 N THR A 394 -8.656 -17.898 -9.173 1.00 0.00 N ATOM 544 CA THR A 394 -7.657 -18.813 -8.636 1.00 0.00 C ATOM 545 C THR A 394 -8.119 -19.419 -7.316 1.00 0.00 C ATOM 546 O THR A 394 -8.029 -20.630 -7.112 1.00 0.00 O ATOM 547 CB THR A 394 -6.306 -18.105 -8.417 1.00 0.00 C ATOM 548 OG1 THR A 394 -6.030 -17.227 -9.514 1.00 0.00 O ATOM 549 CG2 THR A 394 -5.181 -19.118 -8.275 1.00 0.00 C ATOM 0 H THR A 394 -8.315 -16.951 -9.339 1.00 0.00 H new ATOM 0 HA THR A 394 -7.528 -19.607 -9.372 1.00 0.00 H new ATOM 0 HB THR A 394 -6.369 -17.526 -7.496 1.00 0.00 H new ATOM 0 HG1 THR A 394 -6.523 -16.388 -9.394 1.00 0.00 H new ATOM 0 HG21 THR A 394 -4.237 -18.595 -8.121 1.00 0.00 H new ATOM 0 HG22 THR A 394 -5.380 -19.766 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 394 -5.118 -19.721 -9.181 1.00 0.00 H new ATOM 557 N LEU A 395 -8.616 -18.571 -6.422 1.00 0.00 N ATOM 558 CA LEU A 395 -9.094 -19.023 -5.121 1.00 0.00 C ATOM 559 C LEU A 395 -10.295 -19.951 -5.274 1.00 0.00 C ATOM 560 O LEU A 395 -10.457 -20.904 -4.511 1.00 0.00 O ATOM 561 CB LEU A 395 -9.470 -17.825 -4.248 1.00 0.00 C ATOM 562 CG LEU A 395 -8.304 -16.999 -3.703 1.00 0.00 C ATOM 563 CD1 LEU A 395 -8.776 -15.611 -3.299 1.00 0.00 C ATOM 564 CD2 LEU A 395 -7.654 -17.708 -2.524 1.00 0.00 C ATOM 0 H LEU A 395 -8.698 -17.566 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 395 -8.288 -19.577 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 395 -10.116 -17.166 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 395 -10.059 -18.186 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 395 -7.560 -16.891 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 395 -7.933 -15.038 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 395 -9.194 -15.102 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 395 -9.540 -15.697 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 395 -6.826 -17.106 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 395 -8.390 -17.847 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 395 -7.279 -18.680 -2.845 1.00 0.00 H new ATOM 576 N CYS A 396 -11.131 -19.668 -6.267 1.00 0.00 N ATOM 577 CA CYS A 396 -12.317 -20.479 -6.522 1.00 0.00 C ATOM 578 C CYS A 396 -11.933 -21.839 -7.095 1.00 0.00 C ATOM 579 O CYS A 396 -12.453 -22.871 -6.672 1.00 0.00 O ATOM 580 CB CYS A 396 -13.258 -19.753 -7.485 1.00 0.00 C ATOM 581 SG CYS A 396 -14.324 -18.527 -6.691 1.00 0.00 S ATOM 0 H CYS A 396 -11.010 -18.884 -6.908 1.00 0.00 H new ATOM 0 HA CYS A 396 -12.830 -20.637 -5.573 1.00 0.00 H new ATOM 0 HB2 CYS A 396 -12.664 -19.259 -8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 396 -13.883 -20.490 -7.990 1.00 0.00 H new ATOM 0 HG CYS A 396 -13.691 -17.395 -6.601 1.00 0.00 H new ATOM 587 N ARG A 397 -11.021 -21.832 -8.062 1.00 0.00 N ATOM 588 CA ARG A 397 -10.569 -23.064 -8.695 1.00 0.00 C ATOM 589 C ARG A 397 -9.421 -23.691 -7.910 1.00 0.00 C ATOM 590 O ARG A 397 -8.820 -24.674 -8.345 1.00 0.00 O ATOM 591 CB ARG A 397 -10.127 -22.791 -10.134 1.00 0.00 C ATOM 592 CG ARG A 397 -11.280 -22.727 -11.123 1.00 0.00 C ATOM 593 CD ARG A 397 -12.197 -21.549 -10.834 1.00 0.00 C ATOM 594 NE ARG A 397 -13.068 -21.243 -11.965 1.00 0.00 N ATOM 595 CZ ARG A 397 -14.122 -21.979 -12.301 1.00 0.00 C ATOM 596 NH1 ARG A 397 -14.434 -23.057 -11.596 1.00 0.00 N ATOM 597 NH2 ARG A 397 -14.867 -21.636 -13.344 1.00 0.00 N ATOM 0 H ARG A 397 -10.581 -20.986 -8.424 1.00 0.00 H new ATOM 0 HA ARG A 397 -11.404 -23.764 -8.705 1.00 0.00 H new ATOM 0 HB2 ARG A 397 -9.580 -21.849 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 397 -9.434 -23.572 -10.447 1.00 0.00 H new ATOM 0 HG2 ARG A 397 -10.887 -22.644 -12.136 1.00 0.00 H new ATOM 0 HG3 ARG A 397 -11.852 -23.654 -11.078 1.00 0.00 H new ATOM 0 HD2 ARG A 397 -12.806 -21.770 -9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 397 -11.596 -20.673 -10.592 1.00 0.00 H new ATOM 0 HE ARG A 397 -12.856 -20.419 -12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -13.864 -23.324 -10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -15.244 -23.620 -11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -14.631 -20.807 -13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -15.676 -22.202 -13.601 1.00 0.00 H new ATOM 912 N ILE B 376 -6.590 8.271 -0.039 1.00 0.00 N ATOM 913 CA ILE B 376 -7.308 7.314 -0.872 1.00 0.00 C ATOM 914 C ILE B 376 -6.368 6.242 -1.412 1.00 0.00 C ATOM 915 O ILE B 376 -6.798 5.141 -1.758 1.00 0.00 O ATOM 916 CB ILE B 376 -8.007 8.011 -2.054 1.00 0.00 C ATOM 917 CG1 ILE B 376 -8.645 9.324 -1.595 1.00 0.00 C ATOM 918 CG2 ILE B 376 -9.055 7.093 -2.665 1.00 0.00 C ATOM 919 CD1 ILE B 376 -9.506 9.979 -2.652 1.00 0.00 C ATOM 0 HA ILE B 376 -8.062 6.847 -0.239 1.00 0.00 H new ATOM 0 HB ILE B 376 -7.261 8.238 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE B 376 -9.252 9.134 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE B 376 -7.858 10.017 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE B 376 -9.540 7.600 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE B 376 -8.576 6.182 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE B 376 -9.800 6.839 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE B 376 -9.926 10.904 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE B 376 -8.899 10.201 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE B 376 -10.315 9.304 -2.932 1.00 0.00 H new ATOM 931 N LEU B 377 -5.082 6.570 -1.481 1.00 0.00 N ATOM 932 CA LEU B 377 -4.080 5.634 -1.978 1.00 0.00 C ATOM 933 C LEU B 377 -3.942 4.436 -1.043 1.00 0.00 C ATOM 934 O LEU B 377 -3.677 3.318 -1.485 1.00 0.00 O ATOM 935 CB LEU B 377 -2.729 6.336 -2.128 1.00 0.00 C ATOM 936 CG LEU B 377 -2.531 7.143 -3.411 1.00 0.00 C ATOM 937 CD1 LEU B 377 -1.322 8.057 -3.286 1.00 0.00 C ATOM 938 CD2 LEU B 377 -2.378 6.215 -4.607 1.00 0.00 C ATOM 0 H LEU B 377 -4.709 7.477 -1.199 1.00 0.00 H new ATOM 0 HA LEU B 377 -4.407 5.274 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU B 377 -2.593 7.004 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU B 377 -1.943 5.583 -2.071 1.00 0.00 H new ATOM 0 HG LEU B 377 -3.414 7.762 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU B 377 -1.197 8.623 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU B 377 -1.471 8.746 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU B 377 -0.430 7.458 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU B 377 -2.238 6.807 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU B 377 -1.512 5.569 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU B 377 -3.274 5.603 -4.709 1.00 0.00 H new ATOM 950 N SER B 378 -4.126 4.678 0.251 1.00 0.00 N ATOM 951 CA SER B 378 -4.021 3.620 1.249 1.00 0.00 C ATOM 952 C SER B 378 -4.830 2.396 0.830 1.00 0.00 C ATOM 953 O SER B 378 -4.453 1.260 1.118 1.00 0.00 O ATOM 954 CB SER B 378 -4.505 4.123 2.610 1.00 0.00 C ATOM 955 OG SER B 378 -5.841 4.590 2.536 1.00 0.00 O ATOM 0 H SER B 378 -4.348 5.597 0.633 1.00 0.00 H new ATOM 0 HA SER B 378 -2.973 3.332 1.328 1.00 0.00 H new ATOM 0 HB2 SER B 378 -4.438 3.319 3.343 1.00 0.00 H new ATOM 0 HB3 SER B 378 -3.855 4.926 2.957 1.00 0.00 H new ATOM 0 HG SER B 378 -6.127 4.904 3.419 1.00 0.00 H new ATOM 961 N TYR B 379 -5.944 2.636 0.148 1.00 0.00 N ATOM 962 CA TYR B 379 -6.809 1.555 -0.309 1.00 0.00 C ATOM 963 C TYR B 379 -6.115 0.718 -1.380 1.00 0.00 C ATOM 964 O TYR B 379 -6.010 -0.501 -1.260 1.00 0.00 O ATOM 965 CB TYR B 379 -8.120 2.120 -0.858 1.00 0.00 C ATOM 966 CG TYR B 379 -9.228 1.095 -0.955 1.00 0.00 C ATOM 967 CD1 TYR B 379 -9.731 0.477 0.182 1.00 0.00 C ATOM 968 CD2 TYR B 379 -9.771 0.745 -2.186 1.00 0.00 C ATOM 969 CE1 TYR B 379 -10.742 -0.461 0.098 1.00 0.00 C ATOM 970 CE2 TYR B 379 -10.783 -0.190 -2.280 1.00 0.00 C ATOM 971 CZ TYR B 379 -11.265 -0.791 -1.135 1.00 0.00 C ATOM 972 OH TYR B 379 -12.273 -1.724 -1.224 1.00 0.00 O ATOM 0 H TYR B 379 -6.270 3.570 -0.101 1.00 0.00 H new ATOM 0 HA TYR B 379 -7.027 0.913 0.544 1.00 0.00 H new ATOM 0 HB2 TYR B 379 -8.449 2.939 -0.218 1.00 0.00 H new ATOM 0 HB3 TYR B 379 -7.939 2.541 -1.847 1.00 0.00 H new ATOM 0 HD1 TYR B 379 -9.325 0.734 1.149 1.00 0.00 H new ATOM 0 HD2 TYR B 379 -9.395 1.212 -3.084 1.00 0.00 H new ATOM 0 HE1 TYR B 379 -11.121 -0.933 0.993 1.00 0.00 H new ATOM 0 HE2 TYR B 379 -11.195 -0.449 -3.244 1.00 0.00 H new ATOM 0 HH TYR B 379 -12.529 -1.841 -2.163 1.00 0.00 H new ATOM 982 N GLY B 380 -5.642 1.385 -2.429 1.00 0.00 N ATOM 983 CA GLY B 380 -4.964 0.689 -3.506 1.00 0.00 C ATOM 984 C GLY B 380 -3.629 0.114 -3.075 1.00 0.00 C ATOM 985 O GLY B 380 -3.367 -1.074 -3.263 1.00 0.00 O ATOM 0 H GLY B 380 -5.717 2.395 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY B 380 -5.601 -0.116 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY B 380 -4.809 1.376 -4.338 1.00 0.00 H new ATOM 989 N VAL B 381 -2.782 0.959 -2.496 1.00 0.00 N ATOM 990 CA VAL B 381 -1.467 0.528 -2.037 1.00 0.00 C ATOM 991 C VAL B 381 -1.585 -0.519 -0.935 1.00 0.00 C ATOM 992 O VAL B 381 -0.973 -1.584 -1.009 1.00 0.00 O ATOM 993 CB VAL B 381 -0.638 1.716 -1.515 1.00 0.00 C ATOM 994 CG1 VAL B 381 0.825 1.325 -1.372 1.00 0.00 C ATOM 995 CG2 VAL B 381 -0.790 2.917 -2.435 1.00 0.00 C ATOM 0 H VAL B 381 -2.983 1.946 -2.334 1.00 0.00 H new ATOM 0 HA VAL B 381 -0.960 0.090 -2.897 1.00 0.00 H new ATOM 0 HB VAL B 381 -1.013 1.993 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL B 381 1.395 2.177 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL B 381 0.913 0.497 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL B 381 1.217 1.020 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL B 381 -0.197 3.747 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL B 381 -0.443 2.656 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL B 381 -1.839 3.210 -2.480 1.00 0.00 H new ATOM 1005 N GLY B 382 -2.376 -0.208 0.087 1.00 0.00 N ATOM 1006 CA GLY B 382 -2.561 -1.133 1.190 1.00 0.00 C ATOM 1007 C GLY B 382 -2.957 -2.520 0.724 1.00 0.00 C ATOM 1008 O GLY B 382 -2.379 -3.517 1.157 1.00 0.00 O ATOM 0 H GLY B 382 -2.892 0.668 0.171 1.00 0.00 H new ATOM 0 HA2 GLY B 382 -1.638 -1.196 1.766 1.00 0.00 H new ATOM 0 HA3 GLY B 382 -3.328 -0.745 1.860 1.00 0.00 H new ATOM 1012 N PHE B 383 -3.946 -2.585 -0.161 1.00 0.00 N ATOM 1013 CA PHE B 383 -4.421 -3.861 -0.684 1.00 0.00 C ATOM 1014 C PHE B 383 -3.333 -4.553 -1.499 1.00 0.00 C ATOM 1015 O PHE B 383 -3.251 -5.781 -1.528 1.00 0.00 O ATOM 1016 CB PHE B 383 -5.666 -3.650 -1.549 1.00 0.00 C ATOM 1017 CG PHE B 383 -6.400 -4.921 -1.863 1.00 0.00 C ATOM 1018 CD1 PHE B 383 -6.851 -5.746 -0.845 1.00 0.00 C ATOM 1019 CD2 PHE B 383 -6.639 -5.293 -3.177 1.00 0.00 C ATOM 1020 CE1 PHE B 383 -7.528 -6.917 -1.131 1.00 0.00 C ATOM 1021 CE2 PHE B 383 -7.315 -6.462 -3.469 1.00 0.00 C ATOM 1022 CZ PHE B 383 -7.759 -7.276 -2.445 1.00 0.00 C ATOM 0 H PHE B 383 -4.434 -1.769 -0.531 1.00 0.00 H new ATOM 0 HA PHE B 383 -4.678 -4.499 0.161 1.00 0.00 H new ATOM 0 HB2 PHE B 383 -6.343 -2.966 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE B 383 -5.373 -3.169 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE B 383 -6.672 -5.471 0.184 1.00 0.00 H new ATOM 0 HD2 PHE B 383 -6.293 -4.662 -3.982 1.00 0.00 H new ATOM 0 HE1 PHE B 383 -7.876 -7.550 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE B 383 -7.496 -6.739 -4.497 1.00 0.00 H new ATOM 0 HZ PHE B 383 -8.286 -8.191 -2.671 1.00 0.00 H new ATOM 1032 N PHE B 384 -2.501 -3.757 -2.161 1.00 0.00 N ATOM 1033 CA PHE B 384 -1.418 -4.292 -2.978 1.00 0.00 C ATOM 1034 C PHE B 384 -0.443 -5.100 -2.127 1.00 0.00 C ATOM 1035 O PHE B 384 -0.120 -6.244 -2.450 1.00 0.00 O ATOM 1036 CB PHE B 384 -0.675 -3.157 -3.686 1.00 0.00 C ATOM 1037 CG PHE B 384 -0.065 -3.565 -4.996 1.00 0.00 C ATOM 1038 CD1 PHE B 384 0.758 -4.676 -5.076 1.00 0.00 C ATOM 1039 CD2 PHE B 384 -0.316 -2.837 -6.148 1.00 0.00 C ATOM 1040 CE1 PHE B 384 1.322 -5.053 -6.280 1.00 0.00 C ATOM 1041 CE2 PHE B 384 0.244 -3.210 -7.356 1.00 0.00 C ATOM 1042 CZ PHE B 384 1.063 -4.320 -7.422 1.00 0.00 C ATOM 0 H PHE B 384 -2.556 -2.739 -2.148 1.00 0.00 H new ATOM 0 HA PHE B 384 -1.854 -4.953 -3.727 1.00 0.00 H new ATOM 0 HB2 PHE B 384 -1.367 -2.332 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE B 384 0.111 -2.783 -3.030 1.00 0.00 H new ATOM 0 HD1 PHE B 384 0.961 -5.255 -4.187 1.00 0.00 H new ATOM 0 HD2 PHE B 384 -0.956 -1.968 -6.102 1.00 0.00 H new ATOM 0 HE1 PHE B 384 1.965 -5.920 -6.328 1.00 0.00 H new ATOM 0 HE2 PHE B 384 0.041 -2.634 -8.247 1.00 0.00 H new ATOM 0 HZ PHE B 384 1.500 -4.614 -8.365 1.00 0.00 H new ATOM 1052 N LEU B 385 0.023 -4.498 -1.039 1.00 0.00 N ATOM 1053 CA LEU B 385 0.963 -5.160 -0.140 1.00 0.00 C ATOM 1054 C LEU B 385 0.330 -6.394 0.496 1.00 0.00 C ATOM 1055 O LEU B 385 0.917 -7.475 0.496 1.00 0.00 O ATOM 1056 CB LEU B 385 1.426 -4.191 0.949 1.00 0.00 C ATOM 1057 CG LEU B 385 1.728 -2.763 0.493 1.00 0.00 C ATOM 1058 CD1 LEU B 385 2.449 -1.994 1.589 1.00 0.00 C ATOM 1059 CD2 LEU B 385 2.555 -2.775 -0.785 1.00 0.00 C ATOM 0 H LEU B 385 -0.234 -3.552 -0.757 1.00 0.00 H new ATOM 0 HA LEU B 385 1.826 -5.478 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU B 385 0.658 -4.150 1.721 1.00 0.00 H new ATOM 0 HB3 LEU B 385 2.323 -4.600 1.414 1.00 0.00 H new ATOM 0 HG LEU B 385 0.783 -2.260 0.286 1.00 0.00 H new ATOM 0 HD11 LEU B 385 2.656 -0.980 1.246 1.00 0.00 H new ATOM 0 HD12 LEU B 385 1.822 -1.955 2.479 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.387 -2.495 1.828 1.00 0.00 H new ATOM 0 HD21 LEU B 385 2.761 -1.750 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU B 385 3.496 -3.295 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU B 385 2.002 -3.288 -1.572 1.00 0.00 H new ATOM 1071 N PHE B 386 -0.873 -6.224 1.035 1.00 0.00 N ATOM 1072 CA PHE B 386 -1.586 -7.323 1.674 1.00 0.00 C ATOM 1073 C PHE B 386 -1.875 -8.438 0.673 1.00 0.00 C ATOM 1074 O PHE B 386 -1.840 -9.620 1.017 1.00 0.00 O ATOM 1075 CB PHE B 386 -2.895 -6.822 2.288 1.00 0.00 C ATOM 1076 CG PHE B 386 -3.327 -7.601 3.497 1.00 0.00 C ATOM 1077 CD1 PHE B 386 -3.960 -8.826 3.358 1.00 0.00 C ATOM 1078 CD2 PHE B 386 -3.102 -7.109 4.772 1.00 0.00 C ATOM 1079 CE1 PHE B 386 -4.359 -9.546 4.469 1.00 0.00 C ATOM 1080 CE2 PHE B 386 -3.498 -7.824 5.886 1.00 0.00 C ATOM 1081 CZ PHE B 386 -4.128 -9.044 5.734 1.00 0.00 C ATOM 0 H PHE B 386 -1.374 -5.336 1.042 1.00 0.00 H new ATOM 0 HA PHE B 386 -0.952 -7.723 2.465 1.00 0.00 H new ATOM 0 HB2 PHE B 386 -2.780 -5.774 2.563 1.00 0.00 H new ATOM 0 HB3 PHE B 386 -3.682 -6.869 1.535 1.00 0.00 H new ATOM 0 HD1 PHE B 386 -4.144 -9.223 2.371 1.00 0.00 H new ATOM 0 HD2 PHE B 386 -2.611 -6.155 4.897 1.00 0.00 H new ATOM 0 HE1 PHE B 386 -4.851 -10.500 4.347 1.00 0.00 H new ATOM 0 HE2 PHE B 386 -3.315 -7.429 6.875 1.00 0.00 H new ATOM 0 HZ PHE B 386 -4.439 -9.604 6.603 1.00 0.00 H new ATOM 1091 N ILE B 387 -2.161 -8.053 -0.566 1.00 0.00 N ATOM 1092 CA ILE B 387 -2.456 -9.019 -1.617 1.00 0.00 C ATOM 1093 C ILE B 387 -1.192 -9.742 -2.070 1.00 0.00 C ATOM 1094 O ILE B 387 -1.228 -10.924 -2.413 1.00 0.00 O ATOM 1095 CB ILE B 387 -3.111 -8.343 -2.835 1.00 0.00 C ATOM 1096 CG1 ILE B 387 -4.601 -8.107 -2.575 1.00 0.00 C ATOM 1097 CG2 ILE B 387 -2.914 -9.192 -4.082 1.00 0.00 C ATOM 1098 CD1 ILE B 387 -5.399 -9.384 -2.434 1.00 0.00 C ATOM 0 H ILE B 387 -2.195 -7.079 -0.867 1.00 0.00 H new ATOM 0 HA ILE B 387 -3.154 -9.742 -1.194 1.00 0.00 H new ATOM 0 HB ILE B 387 -2.632 -7.377 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE B 387 -4.714 -7.515 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE B 387 -5.015 -7.517 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE B 387 -3.383 -8.701 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE B 387 -1.848 -9.314 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE B 387 -3.370 -10.171 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE B 387 -6.446 -9.141 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE B 387 -5.317 -9.968 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE B 387 -5.010 -9.965 -1.598 1.00 0.00 H new ATOM 1110 N LEU B 388 -0.074 -9.024 -2.066 1.00 0.00 N ATOM 1111 CA LEU B 388 1.204 -9.597 -2.474 1.00 0.00 C ATOM 1112 C LEU B 388 1.615 -10.733 -1.542 1.00 0.00 C ATOM 1113 O LEU B 388 2.012 -11.808 -1.994 1.00 0.00 O ATOM 1114 CB LEU B 388 2.288 -8.518 -2.489 1.00 0.00 C ATOM 1115 CG LEU B 388 2.315 -7.611 -3.720 1.00 0.00 C ATOM 1116 CD1 LEU B 388 3.182 -6.388 -3.463 1.00 0.00 C ATOM 1117 CD2 LEU B 388 2.816 -8.376 -4.936 1.00 0.00 C ATOM 0 H LEU B 388 -0.027 -8.045 -1.785 1.00 0.00 H new ATOM 0 HA LEU B 388 1.088 -10.001 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU B 388 2.163 -7.893 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU B 388 3.259 -9.005 -2.400 1.00 0.00 H new ATOM 0 HG LEU B 388 1.298 -7.274 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU B 388 3.189 -5.754 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU B 388 2.779 -5.827 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU B 388 4.200 -6.705 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU B 388 2.828 -7.715 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU B 388 3.825 -8.743 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU B 388 2.154 -9.220 -5.133 1.00 0.00 H new ATOM 1129 N VAL B 389 1.514 -10.489 -0.240 1.00 0.00 N ATOM 1130 CA VAL B 389 1.871 -11.492 0.756 1.00 0.00 C ATOM 1131 C VAL B 389 0.801 -12.573 0.855 1.00 0.00 C ATOM 1132 O VAL B 389 1.109 -13.753 1.023 1.00 0.00 O ATOM 1133 CB VAL B 389 2.074 -10.857 2.145 1.00 0.00 C ATOM 1134 CG1 VAL B 389 2.526 -11.904 3.150 1.00 0.00 C ATOM 1135 CG2 VAL B 389 3.074 -9.714 2.066 1.00 0.00 C ATOM 0 H VAL B 389 1.188 -9.605 0.150 1.00 0.00 H new ATOM 0 HA VAL B 389 2.809 -11.942 0.430 1.00 0.00 H new ATOM 0 HB VAL B 389 1.120 -10.452 2.484 1.00 0.00 H new ATOM 0 HG11 VAL B 389 2.664 -11.437 4.125 1.00 0.00 H new ATOM 0 HG12 VAL B 389 1.770 -12.686 3.226 1.00 0.00 H new ATOM 0 HG13 VAL B 389 3.468 -12.342 2.821 1.00 0.00 H new ATOM 0 HG21 VAL B 389 3.206 -9.277 3.056 1.00 0.00 H new ATOM 0 HG22 VAL B 389 4.031 -10.092 1.706 1.00 0.00 H new ATOM 0 HG23 VAL B 389 2.703 -8.953 1.379 1.00 0.00 H new ATOM 1145 N VAL B 390 -0.459 -12.163 0.749 1.00 0.00 N ATOM 1146 CA VAL B 390 -1.576 -13.097 0.825 1.00 0.00 C ATOM 1147 C VAL B 390 -1.621 -14.000 -0.402 1.00 0.00 C ATOM 1148 O VAL B 390 -1.638 -15.225 -0.284 1.00 0.00 O ATOM 1149 CB VAL B 390 -2.920 -12.355 0.953 1.00 0.00 C ATOM 1150 CG1 VAL B 390 -4.072 -13.267 0.561 1.00 0.00 C ATOM 1151 CG2 VAL B 390 -3.104 -11.828 2.369 1.00 0.00 C ATOM 0 H VAL B 390 -0.732 -11.190 0.610 1.00 0.00 H new ATOM 0 HA VAL B 390 -1.420 -13.706 1.715 1.00 0.00 H new ATOM 0 HB VAL B 390 -2.913 -11.505 0.271 1.00 0.00 H new ATOM 0 HG11 VAL B 390 -5.013 -12.726 0.658 1.00 0.00 H new ATOM 0 HG12 VAL B 390 -3.944 -13.591 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL B 390 -4.085 -14.138 1.216 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -4.058 -11.307 2.442 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -3.091 -12.661 3.072 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.295 -11.138 2.609 1.00 0.00 H new ATOM 1161 N ALA B 391 -1.641 -13.387 -1.581 1.00 0.00 N ATOM 1162 CA ALA B 391 -1.682 -14.135 -2.831 1.00 0.00 C ATOM 1163 C ALA B 391 -0.456 -15.031 -2.975 1.00 0.00 C ATOM 1164 O ALA B 391 -0.562 -16.179 -3.405 1.00 0.00 O ATOM 1165 CB ALA B 391 -1.784 -13.183 -4.013 1.00 0.00 C ATOM 0 H ALA B 391 -1.629 -12.374 -1.696 1.00 0.00 H new ATOM 0 HA ALA B 391 -2.566 -14.773 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA B 391 -1.814 -13.756 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA B 391 -2.694 -12.589 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA B 391 -0.918 -12.521 -4.023 1.00 0.00 H new ATOM 1171 N ALA B 392 0.706 -14.498 -2.613 1.00 0.00 N ATOM 1172 CA ALA B 392 1.952 -15.250 -2.701 1.00 0.00 C ATOM 1173 C ALA B 392 1.875 -16.536 -1.885 1.00 0.00 C ATOM 1174 O ALA B 392 2.183 -17.619 -2.384 1.00 0.00 O ATOM 1175 CB ALA B 392 3.119 -14.394 -2.232 1.00 0.00 C ATOM 0 H ALA B 392 0.811 -13.548 -2.256 1.00 0.00 H new ATOM 0 HA ALA B 392 2.111 -15.522 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA B 392 4.043 -14.968 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA B 392 3.194 -13.506 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA B 392 2.957 -14.094 -1.197 1.00 0.00 H new ATOM 1181 N VAL B 393 1.463 -16.411 -0.628 1.00 0.00 N ATOM 1182 CA VAL B 393 1.346 -17.564 0.257 1.00 0.00 C ATOM 1183 C VAL B 393 0.296 -18.543 -0.253 1.00 0.00 C ATOM 1184 O VAL B 393 0.575 -19.727 -0.445 1.00 0.00 O ATOM 1185 CB VAL B 393 0.980 -17.136 1.691 1.00 0.00 C ATOM 1186 CG1 VAL B 393 0.798 -18.355 2.582 1.00 0.00 C ATOM 1187 CG2 VAL B 393 2.041 -16.205 2.256 1.00 0.00 C ATOM 0 H VAL B 393 1.204 -15.522 -0.199 1.00 0.00 H new ATOM 0 HA VAL B 393 2.320 -18.054 0.270 1.00 0.00 H new ATOM 0 HB VAL B 393 0.034 -16.595 1.660 1.00 0.00 H new ATOM 0 HG11 VAL B 393 0.540 -18.033 3.591 1.00 0.00 H new ATOM 0 HG12 VAL B 393 -0.002 -18.980 2.185 1.00 0.00 H new ATOM 0 HG13 VAL B 393 1.725 -18.927 2.610 1.00 0.00 H new ATOM 0 HG21 VAL B 393 1.766 -15.913 3.269 1.00 0.00 H new ATOM 0 HG22 VAL B 393 3.003 -16.718 2.274 1.00 0.00 H new ATOM 0 HG23 VAL B 393 2.116 -15.316 1.630 1.00 0.00 H new ATOM 1197 N THR B 394 -0.916 -18.042 -0.473 1.00 0.00 N ATOM 1198 CA THR B 394 -2.010 -18.873 -0.961 1.00 0.00 C ATOM 1199 C THR B 394 -1.637 -19.560 -2.270 1.00 0.00 C ATOM 1200 O THR B 394 -1.945 -20.734 -2.477 1.00 0.00 O ATOM 1201 CB THR B 394 -3.291 -18.046 -1.176 1.00 0.00 C ATOM 1202 OG1 THR B 394 -3.575 -17.270 -0.006 1.00 0.00 O ATOM 1203 CG2 THR B 394 -4.473 -18.950 -1.490 1.00 0.00 C ATOM 0 H THR B 394 -1.165 -17.065 -0.321 1.00 0.00 H new ATOM 0 HA THR B 394 -2.198 -19.628 -0.198 1.00 0.00 H new ATOM 0 HB THR B 394 -3.129 -17.380 -2.023 1.00 0.00 H new ATOM 0 HG1 THR B 394 -3.019 -16.463 -0.006 1.00 0.00 H new ATOM 0 HG21 THR B 394 -5.366 -18.343 -1.638 1.00 0.00 H new ATOM 0 HG22 THR B 394 -4.266 -19.518 -2.397 1.00 0.00 H new ATOM 0 HG23 THR B 394 -4.635 -19.638 -0.660 1.00 0.00 H new ATOM 1211 N LEU B 395 -0.971 -18.821 -3.151 1.00 0.00 N ATOM 1212 CA LEU B 395 -0.555 -19.360 -4.441 1.00 0.00 C ATOM 1213 C LEU B 395 0.577 -20.368 -4.271 1.00 0.00 C ATOM 1214 O LEU B 395 0.642 -21.370 -4.984 1.00 0.00 O ATOM 1215 CB LEU B 395 -0.110 -18.228 -5.369 1.00 0.00 C ATOM 1216 CG LEU B 395 -1.225 -17.346 -5.933 1.00 0.00 C ATOM 1217 CD1 LEU B 395 -0.664 -16.013 -6.403 1.00 0.00 C ATOM 1218 CD2 LEU B 395 -1.943 -18.055 -7.072 1.00 0.00 C ATOM 0 H LEU B 395 -0.708 -17.848 -2.996 1.00 0.00 H new ATOM 0 HA LEU B 395 -1.409 -19.872 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU B 395 0.589 -17.592 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU B 395 0.439 -18.664 -6.204 1.00 0.00 H new ATOM 0 HG LEU B 395 -1.947 -17.155 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU B 395 -1.471 -15.399 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU B 395 -0.197 -15.499 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU B 395 0.079 -16.185 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU B 395 -2.733 -17.412 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU B 395 -1.232 -18.278 -7.868 1.00 0.00 H new ATOM 0 HD23 LEU B 395 -2.379 -18.984 -6.705 1.00 0.00 H new ATOM 1230 N CYS B 396 1.466 -20.096 -3.322 1.00 0.00 N ATOM 1231 CA CYS B 396 2.595 -20.980 -3.056 1.00 0.00 C ATOM 1232 C CYS B 396 2.127 -22.286 -2.422 1.00 0.00 C ATOM 1233 O CYS B 396 2.607 -23.364 -2.770 1.00 0.00 O ATOM 1234 CB CYS B 396 3.607 -20.289 -2.141 1.00 0.00 C ATOM 1235 SG CYS B 396 4.735 -19.168 -3.001 1.00 0.00 S ATOM 0 H CYS B 396 1.427 -19.271 -2.724 1.00 0.00 H new ATOM 0 HA CYS B 396 3.075 -21.211 -4.007 1.00 0.00 H new ATOM 0 HB2 CYS B 396 3.067 -19.729 -1.378 1.00 0.00 H new ATOM 0 HB3 CYS B 396 4.192 -21.050 -1.624 1.00 0.00 H new ATOM 0 HG CYS B 396 4.164 -18.010 -3.154 1.00 0.00 H new ATOM 1241 N ARG B 397 1.187 -22.180 -1.488 1.00 0.00 N ATOM 1242 CA ARG B 397 0.656 -23.352 -0.802 1.00 0.00 C ATOM 1243 C ARG B 397 -0.126 -24.238 -1.767 1.00 0.00 C ATOM 1244 O ARG B 397 -0.293 -25.436 -1.531 1.00 0.00 O ATOM 1245 CB ARG B 397 -0.245 -22.926 0.359 1.00 0.00 C ATOM 1246 CG ARG B 397 0.442 -22.008 1.357 1.00 0.00 C ATOM 1247 CD ARG B 397 1.038 -22.793 2.516 1.00 0.00 C ATOM 1248 NE ARG B 397 1.471 -21.919 3.603 1.00 0.00 N ATOM 1249 CZ ARG B 397 0.641 -21.384 4.491 1.00 0.00 C ATOM 1250 NH1 ARG B 397 -0.659 -21.632 4.421 1.00 0.00 N ATOM 1251 NH2 ARG B 397 1.111 -20.598 5.451 1.00 0.00 N ATOM 0 H ARG B 397 0.778 -21.295 -1.189 1.00 0.00 H new ATOM 0 HA ARG B 397 1.497 -23.924 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG B 397 -1.124 -22.421 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG B 397 -0.598 -23.816 0.880 1.00 0.00 H new ATOM 0 HG2 ARG B 397 1.229 -21.445 0.854 1.00 0.00 H new ATOM 0 HG3 ARG B 397 -0.275 -21.281 1.739 1.00 0.00 H new ATOM 0 HD2 ARG B 397 0.300 -23.501 2.892 1.00 0.00 H new ATOM 0 HD3 ARG B 397 1.887 -23.377 2.160 1.00 0.00 H new ATOM 0 HE ARG B 397 2.466 -21.708 3.685 1.00 0.00 H new ATOM 0 HH11 ARG B 397 -1.024 -22.235 3.684 1.00 0.00 H new ATOM 0 HH12 ARG B 397 -1.294 -21.220 5.104 1.00 0.00 H new ATOM 0 HH21 ARG B 397 2.111 -20.404 5.508 1.00 0.00 H new ATOM 0 HH22 ARG B 397 0.473 -20.188 6.132 1.00 0.00 H new