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 -105:sc= 0.0871 USER MOD Single : A 394 THR OG1 : rot 81:sc= 0.82 USER MOD Single : A 396 CYS SG : rot 87:sc= 0.0166 USER MOD Single : B 378 SER OG : rot 180:sc= 0 USER MOD Single : B 379 TYR OH : rot -104:sc= 0.0856 USER MOD Single : B 394 THR OG1 : rot 85:sc= 1.23 USER MOD Single : B 396 CYS SG : rot 84:sc= -0.0491 USER MOD ----------------------------------------------------------------- ATOM 277 N LEU A 377 -2.609 6.355 -8.534 1.00 0.00 N ATOM 278 CA LEU A 377 -3.743 5.579 -8.043 1.00 0.00 C ATOM 279 C LEU A 377 -4.016 4.382 -8.948 1.00 0.00 C ATOM 280 O LEU A 377 -4.384 3.306 -8.477 1.00 0.00 O ATOM 281 CB LEU A 377 -4.989 6.461 -7.955 1.00 0.00 C ATOM 282 CG LEU A 377 -5.104 7.337 -6.706 1.00 0.00 C ATOM 283 CD1 LEU A 377 -6.175 8.399 -6.896 1.00 0.00 C ATOM 284 CD2 LEU A 377 -5.407 6.484 -5.483 1.00 0.00 C ATOM 0 HA LEU A 377 -3.496 5.210 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -5.015 7.108 -8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.869 5.819 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 377 -4.149 7.838 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -6.243 9.012 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -5.916 9.029 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -7.136 7.918 -7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -5.485 7.123 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.348 5.955 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -4.604 5.761 -5.336 1.00 0.00 H new ATOM 296 N SER A 378 -3.832 4.577 -10.250 1.00 0.00 N ATOM 297 CA SER A 378 -4.061 3.514 -11.222 1.00 0.00 C ATOM 298 C SER A 378 -3.361 2.228 -10.795 1.00 0.00 C ATOM 299 O SER A 378 -3.849 1.127 -11.053 1.00 0.00 O ATOM 300 CB SER A 378 -3.565 3.943 -12.605 1.00 0.00 C ATOM 301 OG SER A 378 -2.183 4.255 -12.577 1.00 0.00 O ATOM 0 H SER A 378 -3.525 5.461 -10.656 1.00 0.00 H new ATOM 0 HA SER A 378 -5.133 3.325 -11.271 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.746 3.144 -13.324 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.130 4.811 -12.944 1.00 0.00 H new ATOM 0 HG SER A 378 -1.890 4.524 -13.473 1.00 0.00 H new ATOM 307 N TYR A 379 -2.214 2.375 -10.141 1.00 0.00 N ATOM 308 CA TYR A 379 -1.444 1.226 -9.679 1.00 0.00 C ATOM 309 C TYR A 379 -2.187 0.481 -8.574 1.00 0.00 C ATOM 310 O TYR A 379 -2.400 -0.727 -8.658 1.00 0.00 O ATOM 311 CB TYR A 379 -0.072 1.674 -9.175 1.00 0.00 C ATOM 312 CG TYR A 379 0.933 0.549 -9.074 1.00 0.00 C ATOM 313 CD1 TYR A 379 1.341 -0.148 -10.204 1.00 0.00 C ATOM 314 CD2 TYR A 379 1.474 0.182 -7.847 1.00 0.00 C ATOM 315 CE1 TYR A 379 2.259 -1.177 -10.117 1.00 0.00 C ATOM 316 CE2 TYR A 379 2.393 -0.844 -7.751 1.00 0.00 C ATOM 317 CZ TYR A 379 2.782 -1.521 -8.888 1.00 0.00 C ATOM 318 OH TYR A 379 3.696 -2.546 -8.795 1.00 0.00 O ATOM 0 H TYR A 379 -1.797 3.279 -9.919 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.310 0.548 -10.522 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.319 2.440 -9.844 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -0.187 2.136 -8.194 1.00 0.00 H new ATOM 0 HD1 TYR A 379 0.933 0.119 -11.168 1.00 0.00 H new ATOM 0 HD2 TYR A 379 1.170 0.708 -6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 379 2.565 -1.709 -11.006 1.00 0.00 H new ATOM 0 HE2 TYR A 379 2.805 -1.115 -6.790 1.00 0.00 H new ATOM 0 HH TYR A 379 3.263 -3.337 -8.412 1.00 0.00 H new ATOM 328 N GLY A 380 -2.578 1.214 -7.535 1.00 0.00 N ATOM 329 CA GLY A 380 -3.293 0.608 -6.427 1.00 0.00 C ATOM 330 C GLY A 380 -4.684 0.147 -6.817 1.00 0.00 C ATOM 331 O GLY A 380 -5.049 -1.007 -6.592 1.00 0.00 O ATOM 0 H GLY A 380 -2.412 2.216 -7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 380 -2.723 -0.243 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 380 -3.367 1.326 -5.610 1.00 0.00 H new ATOM 335 N VAL A 381 -5.463 1.051 -7.402 1.00 0.00 N ATOM 336 CA VAL A 381 -6.822 0.731 -7.823 1.00 0.00 C ATOM 337 C VAL A 381 -6.823 -0.336 -8.912 1.00 0.00 C ATOM 338 O VAL A 381 -7.505 -1.353 -8.797 1.00 0.00 O ATOM 339 CB VAL A 381 -7.557 1.981 -8.344 1.00 0.00 C ATOM 340 CG1 VAL A 381 -9.049 1.713 -8.460 1.00 0.00 C ATOM 341 CG2 VAL A 381 -7.290 3.172 -7.436 1.00 0.00 C ATOM 0 H VAL A 381 -5.176 2.011 -7.595 1.00 0.00 H new ATOM 0 HA VAL A 381 -7.344 0.351 -6.945 1.00 0.00 H new ATOM 0 HB VAL A 381 -7.176 2.218 -9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 381 -9.552 2.607 -8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 381 -9.218 0.889 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 381 -9.449 1.451 -7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 381 -7.817 4.046 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 381 -7.642 2.948 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 381 -6.220 3.376 -7.409 1.00 0.00 H new ATOM 351 N GLY A 382 -6.052 -0.096 -9.968 1.00 0.00 N ATOM 352 CA GLY A 382 -5.978 -1.046 -11.063 1.00 0.00 C ATOM 353 C GLY A 382 -5.666 -2.452 -10.590 1.00 0.00 C ATOM 354 O GLY A 382 -6.319 -3.412 -11.001 1.00 0.00 O ATOM 0 H GLY A 382 -5.478 0.739 -10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -6.925 -1.049 -11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.211 -0.724 -11.768 1.00 0.00 H new ATOM 358 N PHE A 383 -4.665 -2.576 -9.725 1.00 0.00 N ATOM 359 CA PHE A 383 -4.266 -3.876 -9.198 1.00 0.00 C ATOM 360 C PHE A 383 -5.373 -4.476 -8.336 1.00 0.00 C ATOM 361 O PHE A 383 -5.544 -5.694 -8.286 1.00 0.00 O ATOM 362 CB PHE A 383 -2.980 -3.744 -8.379 1.00 0.00 C ATOM 363 CG PHE A 383 -2.331 -5.062 -8.068 1.00 0.00 C ATOM 364 CD1 PHE A 383 -1.981 -5.935 -9.086 1.00 0.00 C ATOM 365 CD2 PHE A 383 -2.070 -5.429 -6.757 1.00 0.00 C ATOM 366 CE1 PHE A 383 -1.384 -7.149 -8.802 1.00 0.00 C ATOM 367 CE2 PHE A 383 -1.473 -6.641 -6.467 1.00 0.00 C ATOM 368 CZ PHE A 383 -1.129 -7.502 -7.491 1.00 0.00 C ATOM 0 H PHE A 383 -4.115 -1.792 -9.374 1.00 0.00 H new ATOM 0 HA PHE A 383 -4.085 -4.543 -10.041 1.00 0.00 H new ATOM 0 HB2 PHE A 383 -2.273 -3.120 -8.925 1.00 0.00 H new ATOM 0 HB3 PHE A 383 -3.205 -3.229 -7.445 1.00 0.00 H new ATOM 0 HD1 PHE A 383 -2.177 -5.664 -10.113 1.00 0.00 H new ATOM 0 HD2 PHE A 383 -2.336 -4.760 -5.952 1.00 0.00 H new ATOM 0 HE1 PHE A 383 -1.117 -7.821 -9.604 1.00 0.00 H new ATOM 0 HE2 PHE A 383 -1.276 -6.915 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 383 -0.662 -8.449 -7.267 1.00 0.00 H new ATOM 378 N PHE A 384 -6.121 -3.612 -7.659 1.00 0.00 N ATOM 379 CA PHE A 384 -7.211 -4.056 -6.797 1.00 0.00 C ATOM 380 C PHE A 384 -8.273 -4.800 -7.602 1.00 0.00 C ATOM 381 O PHE A 384 -8.668 -5.912 -7.251 1.00 0.00 O ATOM 382 CB PHE A 384 -7.842 -2.860 -6.081 1.00 0.00 C ATOM 383 CG PHE A 384 -8.436 -3.207 -4.745 1.00 0.00 C ATOM 384 CD1 PHE A 384 -9.337 -4.252 -4.623 1.00 0.00 C ATOM 385 CD2 PHE A 384 -8.091 -2.488 -3.612 1.00 0.00 C ATOM 386 CE1 PHE A 384 -9.885 -4.572 -3.395 1.00 0.00 C ATOM 387 CE2 PHE A 384 -8.636 -2.803 -2.381 1.00 0.00 C ATOM 388 CZ PHE A 384 -9.533 -3.848 -2.273 1.00 0.00 C ATOM 0 H PHE A 384 -5.993 -2.601 -7.690 1.00 0.00 H new ATOM 0 HA PHE A 384 -6.799 -4.739 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 384 -7.085 -2.088 -5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 384 -8.619 -2.435 -6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 384 -9.614 -4.823 -5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 384 -7.388 -1.672 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 384 -10.588 -5.388 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 384 -8.361 -2.233 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 384 -9.958 -4.098 -1.312 1.00 0.00 H new ATOM 398 N LEU A 385 -8.730 -4.178 -8.683 1.00 0.00 N ATOM 399 CA LEU A 385 -9.747 -4.779 -9.539 1.00 0.00 C ATOM 400 C LEU A 385 -9.229 -6.063 -10.180 1.00 0.00 C ATOM 401 O LEU A 385 -9.894 -7.099 -10.145 1.00 0.00 O ATOM 402 CB LEU A 385 -10.177 -3.791 -10.625 1.00 0.00 C ATOM 403 CG LEU A 385 -10.343 -2.337 -10.182 1.00 0.00 C ATOM 404 CD1 LEU A 385 -11.036 -1.525 -11.266 1.00 0.00 C ATOM 405 CD2 LEU A 385 -11.123 -2.264 -8.877 1.00 0.00 C ATOM 0 H LEU A 385 -8.413 -3.258 -8.988 1.00 0.00 H new ATOM 0 HA LEU A 385 -10.609 -5.026 -8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -9.442 -3.823 -11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -11.123 -4.132 -11.045 1.00 0.00 H new ATOM 0 HG LEU A 385 -9.353 -1.912 -10.015 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -11.146 -0.493 -10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -10.439 -1.551 -12.178 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -12.020 -1.949 -11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -11.232 -1.222 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -12.109 -2.706 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -10.587 -2.811 -8.102 1.00 0.00 H new ATOM 417 N PHE A 386 -8.037 -5.988 -10.763 1.00 0.00 N ATOM 418 CA PHE A 386 -7.429 -7.145 -11.410 1.00 0.00 C ATOM 419 C PHE A 386 -7.187 -8.267 -10.404 1.00 0.00 C ATOM 420 O PHE A 386 -7.323 -9.446 -10.730 1.00 0.00 O ATOM 421 CB PHE A 386 -6.110 -6.748 -12.076 1.00 0.00 C ATOM 422 CG PHE A 386 -5.781 -7.568 -13.291 1.00 0.00 C ATOM 423 CD1 PHE A 386 -5.236 -8.835 -13.160 1.00 0.00 C ATOM 424 CD2 PHE A 386 -6.017 -7.072 -14.562 1.00 0.00 C ATOM 425 CE1 PHE A 386 -4.931 -9.591 -14.277 1.00 0.00 C ATOM 426 CE2 PHE A 386 -5.715 -7.824 -15.682 1.00 0.00 C ATOM 427 CZ PHE A 386 -5.173 -9.086 -15.539 1.00 0.00 C ATOM 0 H PHE A 386 -7.473 -5.139 -10.801 1.00 0.00 H new ATOM 0 HA PHE A 386 -8.118 -7.508 -12.172 1.00 0.00 H new ATOM 0 HB2 PHE A 386 -6.157 -5.696 -12.359 1.00 0.00 H new ATOM 0 HB3 PHE A 386 -5.302 -6.847 -11.351 1.00 0.00 H new ATOM 0 HD1 PHE A 386 -5.047 -9.236 -12.175 1.00 0.00 H new ATOM 0 HD2 PHE A 386 -6.442 -6.086 -14.680 1.00 0.00 H new ATOM 0 HE1 PHE A 386 -4.504 -10.576 -14.162 1.00 0.00 H new ATOM 0 HE2 PHE A 386 -5.903 -7.425 -16.668 1.00 0.00 H new ATOM 0 HZ PHE A 386 -4.939 -9.677 -16.412 1.00 0.00 H new ATOM 437 N ILE A 387 -6.828 -7.890 -9.182 1.00 0.00 N ATOM 438 CA ILE A 387 -6.567 -8.863 -8.129 1.00 0.00 C ATOM 439 C ILE A 387 -7.864 -9.487 -7.624 1.00 0.00 C ATOM 440 O ILE A 387 -7.900 -10.664 -7.263 1.00 0.00 O ATOM 441 CB ILE A 387 -5.823 -8.223 -6.942 1.00 0.00 C ATOM 442 CG1 ILE A 387 -4.331 -8.099 -7.255 1.00 0.00 C ATOM 443 CG2 ILE A 387 -6.039 -9.041 -5.678 1.00 0.00 C ATOM 444 CD1 ILE A 387 -3.632 -9.432 -7.405 1.00 0.00 C ATOM 0 H ILE A 387 -6.711 -6.918 -8.897 1.00 0.00 H new ATOM 0 HA ILE A 387 -5.938 -9.639 -8.565 1.00 0.00 H new ATOM 0 HB ILE A 387 -6.225 -7.223 -6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 387 -4.207 -7.528 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 387 -3.847 -7.532 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 387 -5.507 -8.576 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 387 -7.104 -9.082 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 387 -5.661 -10.052 -5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 387 -2.577 -9.267 -7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 387 -3.724 -9.998 -6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 387 -4.090 -9.993 -8.219 1.00 0.00 H new ATOM 456 N LEU A 388 -8.928 -8.692 -7.604 1.00 0.00 N ATOM 457 CA LEU A 388 -10.229 -9.166 -7.146 1.00 0.00 C ATOM 458 C LEU A 388 -10.753 -10.278 -8.050 1.00 0.00 C ATOM 459 O LEU A 388 -11.209 -11.317 -7.573 1.00 0.00 O ATOM 460 CB LEU A 388 -11.231 -8.011 -7.108 1.00 0.00 C ATOM 461 CG LEU A 388 -11.150 -7.092 -5.888 1.00 0.00 C ATOM 462 CD1 LEU A 388 -11.935 -5.813 -6.130 1.00 0.00 C ATOM 463 CD2 LEU A 388 -11.662 -7.808 -4.646 1.00 0.00 C ATOM 0 H LEU A 388 -8.915 -7.716 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 388 -10.107 -9.567 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 388 -11.092 -7.406 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 388 -12.237 -8.427 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 388 -10.105 -6.827 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 388 -11.866 -5.172 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 388 -11.523 -5.291 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 388 -12.980 -6.058 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 388 -11.597 -7.139 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 388 -12.700 -8.103 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 388 -11.056 -8.695 -4.462 1.00 0.00 H new ATOM 475 N VAL A 389 -10.681 -10.053 -9.358 1.00 0.00 N ATOM 476 CA VAL A 389 -11.145 -11.037 -10.329 1.00 0.00 C ATOM 477 C VAL A 389 -10.159 -12.194 -10.453 1.00 0.00 C ATOM 478 O VAL A 389 -10.556 -13.347 -10.615 1.00 0.00 O ATOM 479 CB VAL A 389 -11.351 -10.402 -11.717 1.00 0.00 C ATOM 480 CG1 VAL A 389 -11.935 -11.417 -12.687 1.00 0.00 C ATOM 481 CG2 VAL A 389 -12.245 -9.175 -11.613 1.00 0.00 C ATOM 0 H VAL A 389 -10.306 -9.198 -9.770 1.00 0.00 H new ATOM 0 HA VAL A 389 -12.100 -11.415 -9.965 1.00 0.00 H new ATOM 0 HB VAL A 389 -10.381 -10.085 -12.101 1.00 0.00 H new ATOM 0 HG11 VAL A 389 -12.074 -10.950 -13.662 1.00 0.00 H new ATOM 0 HG12 VAL A 389 -11.254 -12.262 -12.783 1.00 0.00 H new ATOM 0 HG13 VAL A 389 -12.897 -11.767 -12.312 1.00 0.00 H new ATOM 0 HG21 VAL A 389 -12.380 -8.738 -12.603 1.00 0.00 H new ATOM 0 HG22 VAL A 389 -13.215 -9.465 -11.208 1.00 0.00 H new ATOM 0 HG23 VAL A 389 -11.781 -8.442 -10.953 1.00 0.00 H new ATOM 491 N VAL A 390 -8.871 -11.877 -10.375 1.00 0.00 N ATOM 492 CA VAL A 390 -7.826 -12.889 -10.476 1.00 0.00 C ATOM 493 C VAL A 390 -7.804 -13.781 -9.240 1.00 0.00 C ATOM 494 O VAL A 390 -7.876 -15.005 -9.344 1.00 0.00 O ATOM 495 CB VAL A 390 -6.438 -12.248 -10.659 1.00 0.00 C ATOM 496 CG1 VAL A 390 -5.341 -13.234 -10.288 1.00 0.00 C ATOM 497 CG2 VAL A 390 -6.263 -11.755 -12.088 1.00 0.00 C ATOM 0 H VAL A 390 -8.526 -10.927 -10.242 1.00 0.00 H new ATOM 0 HA VAL A 390 -8.056 -13.494 -11.353 1.00 0.00 H new ATOM 0 HB VAL A 390 -6.362 -11.390 -9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.367 -12.763 -10.424 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.457 -13.533 -9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.411 -14.114 -10.928 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.277 -11.305 -12.199 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -6.359 -12.594 -12.777 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -7.028 -11.012 -12.313 1.00 0.00 H new ATOM 507 N ALA A 391 -7.702 -13.159 -8.070 1.00 0.00 N ATOM 508 CA ALA A 391 -7.672 -13.895 -6.813 1.00 0.00 C ATOM 509 C ALA A 391 -8.952 -14.701 -6.618 1.00 0.00 C ATOM 510 O ALA A 391 -8.914 -15.848 -6.175 1.00 0.00 O ATOM 511 CB ALA A 391 -7.464 -12.941 -5.647 1.00 0.00 C ATOM 0 H ALA A 391 -7.639 -12.146 -7.967 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.836 -14.593 -6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -7.444 -13.505 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -6.518 -12.414 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.281 -12.220 -5.617 1.00 0.00 H new ATOM 517 N ALA A 392 -10.086 -14.092 -6.952 1.00 0.00 N ATOM 518 CA ALA A 392 -11.377 -14.754 -6.814 1.00 0.00 C ATOM 519 C ALA A 392 -11.425 -16.040 -7.631 1.00 0.00 C ATOM 520 O ALA A 392 -11.784 -17.100 -7.119 1.00 0.00 O ATOM 521 CB ALA A 392 -12.498 -13.816 -7.238 1.00 0.00 C ATOM 0 H ALA A 392 -10.136 -13.142 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 392 -11.513 -15.016 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 392 -13.457 -14.323 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 392 -12.485 -12.926 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 392 -12.356 -13.526 -8.279 1.00 0.00 H new ATOM 527 N VAL A 393 -11.060 -15.941 -8.906 1.00 0.00 N ATOM 528 CA VAL A 393 -11.061 -17.097 -9.794 1.00 0.00 C ATOM 529 C VAL A 393 -10.075 -18.157 -9.316 1.00 0.00 C ATOM 530 O VAL A 393 -10.441 -19.316 -9.114 1.00 0.00 O ATOM 531 CB VAL A 393 -10.706 -16.696 -11.238 1.00 0.00 C ATOM 532 CG1 VAL A 393 -10.610 -17.927 -12.126 1.00 0.00 C ATOM 533 CG2 VAL A 393 -11.731 -15.713 -11.784 1.00 0.00 C ATOM 0 H VAL A 393 -10.760 -15.071 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 393 -12.070 -17.509 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 393 -9.733 -16.206 -11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 393 -10.358 -17.624 -13.142 1.00 0.00 H new ATOM 0 HG12 VAL A 393 -9.836 -18.592 -11.744 1.00 0.00 H new ATOM 0 HG13 VAL A 393 -11.567 -18.449 -12.129 1.00 0.00 H new ATOM 0 HG21 VAL A 393 -11.465 -15.440 -12.805 1.00 0.00 H new ATOM 0 HG22 VAL A 393 -12.718 -16.175 -11.777 1.00 0.00 H new ATOM 0 HG23 VAL A 393 -11.745 -14.819 -11.161 1.00 0.00 H new ATOM 543 N THR A 394 -8.821 -17.754 -9.136 1.00 0.00 N ATOM 544 CA THR A 394 -7.782 -18.669 -8.683 1.00 0.00 C ATOM 545 C THR A 394 -8.166 -19.326 -7.362 1.00 0.00 C ATOM 546 O THR A 394 -8.037 -20.540 -7.200 1.00 0.00 O ATOM 547 CB THR A 394 -6.433 -17.945 -8.510 1.00 0.00 C ATOM 548 OG1 THR A 394 -6.111 -17.218 -9.701 1.00 0.00 O ATOM 549 CG2 THR A 394 -5.322 -18.938 -8.200 1.00 0.00 C ATOM 0 H THR A 394 -8.501 -16.799 -9.297 1.00 0.00 H new ATOM 0 HA THR A 394 -7.679 -19.436 -9.451 1.00 0.00 H new ATOM 0 HB THR A 394 -6.522 -17.251 -7.674 1.00 0.00 H new ATOM 0 HG1 THR A 394 -6.601 -16.369 -9.709 1.00 0.00 H new ATOM 0 HG21 THR A 394 -4.379 -18.404 -8.082 1.00 0.00 H new ATOM 0 HG22 THR A 394 -5.556 -19.469 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 394 -5.234 -19.653 -9.018 1.00 0.00 H new ATOM 557 N LEU A 395 -8.638 -18.518 -6.420 1.00 0.00 N ATOM 558 CA LEU A 395 -9.043 -19.021 -5.112 1.00 0.00 C ATOM 559 C LEU A 395 -10.231 -19.970 -5.237 1.00 0.00 C ATOM 560 O LEU A 395 -10.331 -20.955 -4.504 1.00 0.00 O ATOM 561 CB LEU A 395 -9.399 -17.859 -4.184 1.00 0.00 C ATOM 562 CG LEU A 395 -8.223 -17.032 -3.662 1.00 0.00 C ATOM 563 CD1 LEU A 395 -8.698 -15.667 -3.189 1.00 0.00 C ATOM 564 CD2 LEU A 395 -7.509 -17.769 -2.538 1.00 0.00 C ATOM 0 H LEU A 395 -8.750 -17.511 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 395 -8.204 -19.573 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 395 -10.079 -17.192 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 395 -9.945 -18.257 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 395 -7.517 -16.885 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 395 -7.847 -15.093 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 395 -9.162 -15.135 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 395 -9.425 -15.793 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 395 -6.675 -17.165 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 395 -8.206 -17.948 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 395 -7.133 -18.723 -2.909 1.00 0.00 H new ATOM 576 N CYS A 396 -11.127 -19.667 -6.169 1.00 0.00 N ATOM 577 CA CYS A 396 -12.308 -20.493 -6.391 1.00 0.00 C ATOM 578 C CYS A 396 -11.927 -21.826 -7.028 1.00 0.00 C ATOM 579 O CYS A 396 -12.410 -22.882 -6.618 1.00 0.00 O ATOM 580 CB CYS A 396 -13.311 -19.757 -7.281 1.00 0.00 C ATOM 581 SG CYS A 396 -14.353 -18.574 -6.396 1.00 0.00 S ATOM 0 H CYS A 396 -11.058 -18.856 -6.783 1.00 0.00 H new ATOM 0 HA CYS A 396 -12.769 -20.692 -5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 396 -12.767 -19.230 -8.065 1.00 0.00 H new ATOM 0 HB3 CYS A 396 -13.950 -20.490 -7.774 1.00 0.00 H new ATOM 0 HG CYS A 396 -13.744 -17.428 -6.325 1.00 0.00 H new ATOM 587 N ARG A 397 -11.060 -21.769 -8.033 1.00 0.00 N ATOM 588 CA ARG A 397 -10.617 -22.971 -8.729 1.00 0.00 C ATOM 589 C ARG A 397 -9.430 -23.608 -8.012 1.00 0.00 C ATOM 590 O ARG A 397 -8.845 -24.578 -8.496 1.00 0.00 O ATOM 591 CB ARG A 397 -10.236 -22.640 -10.173 1.00 0.00 C ATOM 592 CG ARG A 397 -11.427 -22.556 -11.113 1.00 0.00 C ATOM 593 CD ARG A 397 -12.352 -21.409 -10.740 1.00 0.00 C ATOM 594 NE ARG A 397 -13.288 -21.089 -11.814 1.00 0.00 N ATOM 595 CZ ARG A 397 -13.962 -19.946 -11.885 1.00 0.00 C ATOM 596 NH1 ARG A 397 -13.804 -19.020 -10.950 1.00 0.00 N ATOM 597 NH2 ARG A 397 -14.795 -19.728 -12.894 1.00 0.00 N ATOM 0 H ARG A 397 -10.650 -20.903 -8.384 1.00 0.00 H new ATOM 0 HA ARG A 397 -11.442 -23.683 -8.733 1.00 0.00 H new ATOM 0 HB2 ARG A 397 -9.703 -21.690 -10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 397 -9.546 -23.400 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 397 -11.075 -22.423 -12.136 1.00 0.00 H new ATOM 0 HG3 ARG A 397 -11.980 -23.495 -11.085 1.00 0.00 H new ATOM 0 HD2 ARG A 397 -12.909 -21.670 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 397 -11.758 -20.527 -10.502 1.00 0.00 H new ATOM 0 HE ARG A 397 -13.432 -21.780 -12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -13.164 -19.184 -10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -14.323 -18.144 -11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -14.918 -20.438 -13.616 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -15.312 -18.850 -12.948 1.00 0.00 H new ATOM 912 N ILE B 376 -6.878 8.059 -0.066 1.00 0.00 N ATOM 913 CA ILE B 376 -7.504 7.050 -0.911 1.00 0.00 C ATOM 914 C ILE B 376 -6.473 6.055 -1.434 1.00 0.00 C ATOM 915 O ILE B 376 -6.812 4.930 -1.803 1.00 0.00 O ATOM 916 CB ILE B 376 -8.235 7.690 -2.106 1.00 0.00 C ATOM 917 CG1 ILE B 376 -8.953 8.968 -1.668 1.00 0.00 C ATOM 918 CG2 ILE B 376 -9.221 6.704 -2.714 1.00 0.00 C ATOM 919 CD1 ILE B 376 -9.828 9.570 -2.745 1.00 0.00 C ATOM 0 HA ILE B 376 -8.230 6.525 -0.290 1.00 0.00 H new ATOM 0 HB ILE B 376 -7.498 7.952 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE B 376 -9.566 8.749 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE B 376 -8.211 9.705 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE B 376 -9.730 7.171 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE B 376 -8.685 5.819 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE B 376 -9.956 6.414 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE B 376 -10.305 10.473 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE B 376 -9.217 9.821 -3.612 1.00 0.00 H new ATOM 0 HD13 ILE B 376 -10.593 8.851 -3.036 1.00 0.00 H new ATOM 931 N LEU B 377 -5.214 6.476 -1.461 1.00 0.00 N ATOM 932 CA LEU B 377 -4.131 5.621 -1.937 1.00 0.00 C ATOM 933 C LEU B 377 -3.946 4.416 -1.020 1.00 0.00 C ATOM 934 O LEU B 377 -3.650 3.314 -1.480 1.00 0.00 O ATOM 935 CB LEU B 377 -2.827 6.416 -2.023 1.00 0.00 C ATOM 936 CG LEU B 377 -2.645 7.272 -3.278 1.00 0.00 C ATOM 937 CD1 LEU B 377 -1.503 8.259 -3.089 1.00 0.00 C ATOM 938 CD2 LEU B 377 -2.394 6.390 -4.492 1.00 0.00 C ATOM 0 H LEU B 377 -4.917 7.404 -1.159 1.00 0.00 H new ATOM 0 HA LEU B 377 -4.396 5.261 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU B 377 -2.763 7.067 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU B 377 -1.993 5.717 -1.960 1.00 0.00 H new ATOM 0 HG LEU B 377 -3.562 7.836 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU B 377 -1.388 8.859 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU B 377 -1.722 8.912 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU B 377 -0.579 7.714 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU B 377 -2.267 7.015 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU B 377 -1.492 5.799 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU B 377 -3.243 5.723 -4.639 1.00 0.00 H new ATOM 950 N SER B 378 -4.124 4.635 0.279 1.00 0.00 N ATOM 951 CA SER B 378 -3.975 3.567 1.261 1.00 0.00 C ATOM 952 C SER B 378 -4.763 2.330 0.842 1.00 0.00 C ATOM 953 O SER B 378 -4.357 1.200 1.115 1.00 0.00 O ATOM 954 CB SER B 378 -4.445 4.043 2.637 1.00 0.00 C ATOM 955 OG SER B 378 -5.802 4.448 2.601 1.00 0.00 O ATOM 0 H SER B 378 -4.371 5.542 0.676 1.00 0.00 H new ATOM 0 HA SER B 378 -2.919 3.302 1.316 1.00 0.00 H new ATOM 0 HB2 SER B 378 -4.321 3.241 3.365 1.00 0.00 H new ATOM 0 HB3 SER B 378 -3.823 4.874 2.970 1.00 0.00 H new ATOM 0 HG SER B 378 -6.078 4.746 3.493 1.00 0.00 H new ATOM 961 N TYR B 379 -5.891 2.552 0.177 1.00 0.00 N ATOM 962 CA TYR B 379 -6.738 1.455 -0.278 1.00 0.00 C ATOM 963 C TYR B 379 -6.048 0.653 -1.376 1.00 0.00 C ATOM 964 O TYR B 379 -5.920 -0.567 -1.283 1.00 0.00 O ATOM 965 CB TYR B 379 -8.075 1.995 -0.789 1.00 0.00 C ATOM 966 CG TYR B 379 -9.159 0.944 -0.876 1.00 0.00 C ATOM 967 CD1 TYR B 379 -9.612 0.289 0.262 1.00 0.00 C ATOM 968 CD2 TYR B 379 -9.730 0.606 -2.097 1.00 0.00 C ATOM 969 CE1 TYR B 379 -10.601 -0.672 0.187 1.00 0.00 C ATOM 970 CE2 TYR B 379 -10.721 -0.353 -2.181 1.00 0.00 C ATOM 971 CZ TYR B 379 -11.153 -0.990 -1.036 1.00 0.00 C ATOM 972 OH TYR B 379 -12.139 -1.946 -1.115 1.00 0.00 O ATOM 0 H TYR B 379 -6.240 3.481 -0.059 1.00 0.00 H new ATOM 0 HA TYR B 379 -6.920 0.794 0.569 1.00 0.00 H new ATOM 0 HB2 TYR B 379 -8.409 2.796 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR B 379 -7.927 2.435 -1.775 1.00 0.00 H new ATOM 0 HD1 TYR B 379 -9.183 0.536 1.222 1.00 0.00 H new ATOM 0 HD2 TYR B 379 -9.393 1.101 -2.996 1.00 0.00 H new ATOM 0 HE1 TYR B 379 -10.941 -1.172 1.082 1.00 0.00 H new ATOM 0 HE2 TYR B 379 -11.155 -0.603 -3.138 1.00 0.00 H new ATOM 0 HH TYR B 379 -11.761 -2.777 -1.472 1.00 0.00 H new ATOM 982 N GLY B 380 -5.602 1.349 -2.418 1.00 0.00 N ATOM 983 CA GLY B 380 -4.929 0.687 -3.520 1.00 0.00 C ATOM 984 C GLY B 380 -3.575 0.133 -3.123 1.00 0.00 C ATOM 985 O GLY B 380 -3.291 -1.046 -3.339 1.00 0.00 O ATOM 0 H GLY B 380 -5.695 2.360 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY B 380 -5.556 -0.124 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY B 380 -4.803 1.392 -4.341 1.00 0.00 H new ATOM 989 N VAL B 381 -2.736 0.984 -2.543 1.00 0.00 N ATOM 990 CA VAL B 381 -1.404 0.573 -2.115 1.00 0.00 C ATOM 991 C VAL B 381 -1.480 -0.475 -1.011 1.00 0.00 C ATOM 992 O VAL B 381 -0.873 -1.541 -1.110 1.00 0.00 O ATOM 993 CB VAL B 381 -0.581 1.774 -1.612 1.00 0.00 C ATOM 994 CG1 VAL B 381 0.890 1.403 -1.497 1.00 0.00 C ATOM 995 CG2 VAL B 381 -0.767 2.971 -2.533 1.00 0.00 C ATOM 0 H VAL B 381 -2.955 1.963 -2.358 1.00 0.00 H new ATOM 0 HA VAL B 381 -0.910 0.143 -2.986 1.00 0.00 H new ATOM 0 HB VAL B 381 -0.940 2.048 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL B 381 1.456 2.264 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL B 381 1.003 0.578 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL B 381 1.267 1.101 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL B 381 -0.178 3.810 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL B 381 -0.436 2.711 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL B 381 -1.820 3.250 -2.559 1.00 0.00 H new ATOM 1005 N GLY B 382 -2.230 -0.165 0.041 1.00 0.00 N ATOM 1006 CA GLY B 382 -2.373 -1.091 1.150 1.00 0.00 C ATOM 1007 C GLY B 382 -2.785 -2.478 0.697 1.00 0.00 C ATOM 1008 O GLY B 382 -2.207 -3.476 1.127 1.00 0.00 O ATOM 0 H GLY B 382 -2.742 0.711 0.146 1.00 0.00 H new ATOM 0 HA2 GLY B 382 -1.429 -1.154 1.691 1.00 0.00 H new ATOM 0 HA3 GLY B 382 -3.115 -0.705 1.849 1.00 0.00 H new ATOM 1012 N PHE B 383 -3.789 -2.541 -0.171 1.00 0.00 N ATOM 1013 CA PHE B 383 -4.281 -3.816 -0.680 1.00 0.00 C ATOM 1014 C PHE B 383 -3.222 -4.504 -1.536 1.00 0.00 C ATOM 1015 O PHE B 383 -3.138 -5.732 -1.572 1.00 0.00 O ATOM 1016 CB PHE B 383 -5.556 -3.605 -1.499 1.00 0.00 C ATOM 1017 CG PHE B 383 -6.301 -4.877 -1.786 1.00 0.00 C ATOM 1018 CD1 PHE B 383 -6.714 -5.702 -0.753 1.00 0.00 C ATOM 1019 CD2 PHE B 383 -6.588 -5.248 -3.090 1.00 0.00 C ATOM 1020 CE1 PHE B 383 -7.400 -6.873 -1.014 1.00 0.00 C ATOM 1021 CE2 PHE B 383 -7.274 -6.417 -3.357 1.00 0.00 C ATOM 1022 CZ PHE B 383 -7.680 -7.232 -2.318 1.00 0.00 C ATOM 0 H PHE B 383 -4.278 -1.724 -0.537 1.00 0.00 H new ATOM 0 HA PHE B 383 -4.507 -4.456 0.173 1.00 0.00 H new ATOM 0 HB2 PHE B 383 -6.214 -2.921 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE B 383 -5.297 -3.124 -2.442 1.00 0.00 H new ATOM 0 HD1 PHE B 383 -6.497 -5.427 0.269 1.00 0.00 H new ATOM 0 HD2 PHE B 383 -6.272 -4.616 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE B 383 -7.717 -7.507 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE B 383 -7.493 -6.694 -4.378 1.00 0.00 H new ATOM 0 HZ PHE B 383 -8.215 -8.147 -2.525 1.00 0.00 H new ATOM 1032 N PHE B 384 -2.415 -3.704 -2.226 1.00 0.00 N ATOM 1033 CA PHE B 384 -1.362 -4.235 -3.084 1.00 0.00 C ATOM 1034 C PHE B 384 -0.355 -5.044 -2.272 1.00 0.00 C ATOM 1035 O PHE B 384 -0.042 -6.186 -2.610 1.00 0.00 O ATOM 1036 CB PHE B 384 -0.648 -3.096 -3.815 1.00 0.00 C ATOM 1037 CG PHE B 384 -0.082 -3.500 -5.146 1.00 0.00 C ATOM 1038 CD1 PHE B 384 0.744 -4.608 -5.255 1.00 0.00 C ATOM 1039 CD2 PHE B 384 -0.375 -2.773 -6.288 1.00 0.00 C ATOM 1040 CE1 PHE B 384 1.266 -4.981 -6.479 1.00 0.00 C ATOM 1041 CE2 PHE B 384 0.145 -3.141 -7.514 1.00 0.00 C ATOM 1042 CZ PHE B 384 0.966 -4.248 -7.610 1.00 0.00 C ATOM 0 H PHE B 384 -2.470 -2.686 -2.208 1.00 0.00 H new ATOM 0 HA PHE B 384 -1.824 -4.895 -3.818 1.00 0.00 H new ATOM 0 HB2 PHE B 384 -1.348 -2.274 -3.961 1.00 0.00 H new ATOM 0 HB3 PHE B 384 0.158 -2.720 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE B 384 0.982 -5.186 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE B 384 -1.018 -1.908 -6.219 1.00 0.00 H new ATOM 0 HE1 PHE B 384 1.909 -5.846 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE B 384 -0.090 -2.564 -8.396 1.00 0.00 H new ATOM 0 HZ PHE B 384 1.372 -4.539 -8.567 1.00 0.00 H new ATOM 1052 N LEU B 385 0.148 -4.444 -1.199 1.00 0.00 N ATOM 1053 CA LEU B 385 1.121 -5.108 -0.337 1.00 0.00 C ATOM 1054 C LEU B 385 0.512 -6.340 0.323 1.00 0.00 C ATOM 1055 O LEU B 385 1.098 -7.423 0.302 1.00 0.00 O ATOM 1056 CB LEU B 385 1.628 -4.140 0.733 1.00 0.00 C ATOM 1057 CG LEU B 385 1.896 -2.707 0.270 1.00 0.00 C ATOM 1058 CD1 LEU B 385 2.648 -1.932 1.340 1.00 0.00 C ATOM 1059 CD2 LEU B 385 2.676 -2.707 -1.037 1.00 0.00 C ATOM 0 H LEU B 385 -0.101 -3.500 -0.905 1.00 0.00 H new ATOM 0 HA LEU B 385 1.960 -5.427 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU B 385 0.897 -4.109 1.541 1.00 0.00 H new ATOM 0 HB3 LEU B 385 2.550 -4.543 1.152 1.00 0.00 H new ATOM 0 HG LEU B 385 0.938 -2.215 0.100 1.00 0.00 H new ATOM 0 HD11 LEU B 385 2.830 -0.915 0.993 1.00 0.00 H new ATOM 0 HD12 LEU B 385 2.054 -1.903 2.253 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.601 -2.422 1.542 1.00 0.00 H new ATOM 0 HD21 LEU B 385 2.858 -1.680 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU B 385 3.629 -3.216 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU B 385 2.101 -3.225 -1.804 1.00 0.00 H new ATOM 1071 N PHE B 386 -0.669 -6.169 0.909 1.00 0.00 N ATOM 1072 CA PHE B 386 -1.359 -7.268 1.574 1.00 0.00 C ATOM 1073 C PHE B 386 -1.684 -8.384 0.587 1.00 0.00 C ATOM 1074 O PHE B 386 -1.633 -9.566 0.931 1.00 0.00 O ATOM 1075 CB PHE B 386 -2.645 -6.765 2.234 1.00 0.00 C ATOM 1076 CG PHE B 386 -3.036 -7.545 3.457 1.00 0.00 C ATOM 1077 CD1 PHE B 386 -3.680 -8.766 3.340 1.00 0.00 C ATOM 1078 CD2 PHE B 386 -2.758 -7.057 4.723 1.00 0.00 C ATOM 1079 CE1 PHE B 386 -4.042 -9.484 4.464 1.00 0.00 C ATOM 1080 CE2 PHE B 386 -3.117 -7.771 5.851 1.00 0.00 C ATOM 1081 CZ PHE B 386 -3.758 -8.987 5.721 1.00 0.00 C ATOM 0 H PHE B 386 -1.168 -5.280 0.937 1.00 0.00 H new ATOM 0 HA PHE B 386 -0.696 -7.668 2.341 1.00 0.00 H new ATOM 0 HB2 PHE B 386 -2.518 -5.717 2.506 1.00 0.00 H new ATOM 0 HB3 PHE B 386 -3.458 -6.810 1.509 1.00 0.00 H new ATOM 0 HD1 PHE B 386 -3.902 -9.161 2.360 1.00 0.00 H new ATOM 0 HD2 PHE B 386 -2.255 -6.107 4.830 1.00 0.00 H new ATOM 0 HE1 PHE B 386 -4.547 -10.433 4.360 1.00 0.00 H new ATOM 0 HE2 PHE B 386 -2.896 -7.378 6.833 1.00 0.00 H new ATOM 0 HZ PHE B 386 -4.037 -9.548 6.600 1.00 0.00 H new ATOM 1091 N ILE B 387 -2.017 -8.002 -0.641 1.00 0.00 N ATOM 1092 CA ILE B 387 -2.348 -8.970 -1.679 1.00 0.00 C ATOM 1093 C ILE B 387 -1.101 -9.695 -2.174 1.00 0.00 C ATOM 1094 O ILE B 387 -1.151 -10.877 -2.515 1.00 0.00 O ATOM 1095 CB ILE B 387 -3.046 -8.296 -2.875 1.00 0.00 C ATOM 1096 CG1 ILE B 387 -4.525 -8.058 -2.564 1.00 0.00 C ATOM 1097 CG2 ILE B 387 -2.893 -9.149 -4.126 1.00 0.00 C ATOM 1098 CD1 ILE B 387 -5.320 -9.334 -2.394 1.00 0.00 C ATOM 0 H ILE B 387 -2.065 -7.028 -0.942 1.00 0.00 H new ATOM 0 HA ILE B 387 -3.030 -9.692 -1.231 1.00 0.00 H new ATOM 0 HB ILE B 387 -2.573 -7.331 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE B 387 -4.605 -7.465 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE B 387 -4.967 -7.469 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE B 387 -3.391 -8.660 -4.963 1.00 0.00 H new ATOM 0 HG22 ILE B 387 -1.835 -9.272 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE B 387 -3.343 -10.127 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE B 387 -6.359 -9.089 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE B 387 -5.270 -9.919 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE B 387 -4.904 -9.915 -1.571 1.00 0.00 H new ATOM 1110 N LEU B 388 0.017 -8.979 -2.210 1.00 0.00 N ATOM 1111 CA LEU B 388 1.280 -9.553 -2.661 1.00 0.00 C ATOM 1112 C LEU B 388 1.722 -10.686 -1.741 1.00 0.00 C ATOM 1113 O LEU B 388 2.103 -11.762 -2.202 1.00 0.00 O ATOM 1114 CB LEU B 388 2.362 -8.474 -2.718 1.00 0.00 C ATOM 1115 CG LEU B 388 2.346 -7.571 -3.952 1.00 0.00 C ATOM 1116 CD1 LEU B 388 3.216 -6.344 -3.726 1.00 0.00 C ATOM 1117 CD2 LEU B 388 2.812 -8.338 -5.180 1.00 0.00 C ATOM 0 H LEU B 388 0.075 -7.999 -1.932 1.00 0.00 H new ATOM 0 HA LEU B 388 1.130 -9.960 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU B 388 2.268 -7.846 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU B 388 3.336 -8.961 -2.661 1.00 0.00 H new ATOM 0 HG LEU B 388 1.322 -7.239 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU B 388 3.193 -5.713 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU B 388 2.838 -5.782 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU B 388 4.242 -6.656 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU B 388 2.794 -7.680 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU B 388 3.828 -8.699 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU B 388 2.149 -9.185 -5.353 1.00 0.00 H new ATOM 1129 N VAL B 389 1.667 -10.438 -0.436 1.00 0.00 N ATOM 1130 CA VAL B 389 2.059 -11.438 0.550 1.00 0.00 C ATOM 1131 C VAL B 389 0.992 -12.517 0.692 1.00 0.00 C ATOM 1132 O VAL B 389 1.304 -13.695 0.868 1.00 0.00 O ATOM 1133 CB VAL B 389 2.313 -10.799 1.927 1.00 0.00 C ATOM 1134 CG1 VAL B 389 2.823 -11.839 2.913 1.00 0.00 C ATOM 1135 CG2 VAL B 389 3.294 -9.642 1.805 1.00 0.00 C ATOM 0 H VAL B 389 1.355 -9.553 -0.037 1.00 0.00 H new ATOM 0 HA VAL B 389 2.984 -11.890 0.192 1.00 0.00 H new ATOM 0 HB VAL B 389 1.369 -10.407 2.305 1.00 0.00 H new ATOM 0 HG11 VAL B 389 2.997 -11.368 3.881 1.00 0.00 H new ATOM 0 HG12 VAL B 389 2.082 -12.631 3.022 1.00 0.00 H new ATOM 0 HG13 VAL B 389 3.756 -12.264 2.543 1.00 0.00 H new ATOM 0 HG21 VAL B 389 3.462 -9.202 2.788 1.00 0.00 H new ATOM 0 HG22 VAL B 389 4.240 -10.007 1.405 1.00 0.00 H new ATOM 0 HG23 VAL B 389 2.884 -8.887 1.135 1.00 0.00 H new ATOM 1145 N VAL B 390 -0.271 -12.108 0.614 1.00 0.00 N ATOM 1146 CA VAL B 390 -1.386 -13.040 0.732 1.00 0.00 C ATOM 1147 C VAL B 390 -1.476 -13.947 -0.490 1.00 0.00 C ATOM 1148 O VAL B 390 -1.491 -15.171 -0.366 1.00 0.00 O ATOM 1149 CB VAL B 390 -2.723 -12.295 0.905 1.00 0.00 C ATOM 1150 CG1 VAL B 390 -3.890 -13.204 0.549 1.00 0.00 C ATOM 1151 CG2 VAL B 390 -2.860 -11.770 2.326 1.00 0.00 C ATOM 0 H VAL B 390 -0.547 -11.137 0.470 1.00 0.00 H new ATOM 0 HA VAL B 390 -1.199 -13.647 1.618 1.00 0.00 H new ATOM 0 HB VAL B 390 -2.736 -11.443 0.225 1.00 0.00 H new ATOM 0 HG11 VAL B 390 -4.826 -12.661 0.677 1.00 0.00 H new ATOM 0 HG12 VAL B 390 -3.797 -13.527 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL B 390 -3.884 -14.076 1.202 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -3.810 -11.246 2.430 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -2.826 -12.604 3.027 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.042 -11.083 2.540 1.00 0.00 H new ATOM 1161 N ALA B 391 -1.534 -13.338 -1.669 1.00 0.00 N ATOM 1162 CA ALA B 391 -1.619 -14.090 -2.915 1.00 0.00 C ATOM 1163 C ALA B 391 -0.404 -14.993 -3.095 1.00 0.00 C ATOM 1164 O ALA B 391 -0.532 -16.151 -3.492 1.00 0.00 O ATOM 1165 CB ALA B 391 -1.755 -13.142 -4.096 1.00 0.00 C ATOM 0 H ALA B 391 -1.524 -12.325 -1.788 1.00 0.00 H new ATOM 0 HA ALA B 391 -2.505 -14.723 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA B 391 -1.817 -13.718 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA B 391 -2.658 -12.543 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA B 391 -0.887 -12.484 -4.136 1.00 0.00 H new ATOM 1171 N ALA B 392 0.776 -14.455 -2.801 1.00 0.00 N ATOM 1172 CA ALA B 392 2.014 -15.213 -2.930 1.00 0.00 C ATOM 1173 C ALA B 392 1.971 -16.483 -2.086 1.00 0.00 C ATOM 1174 O ALA B 392 2.256 -17.576 -2.576 1.00 0.00 O ATOM 1175 CB ALA B 392 3.203 -14.352 -2.531 1.00 0.00 C ATOM 0 H ALA B 392 0.900 -13.497 -2.472 1.00 0.00 H new ATOM 0 HA ALA B 392 2.125 -15.506 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA B 392 4.121 -14.930 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA B 392 3.252 -13.477 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA B 392 3.089 -14.031 -1.496 1.00 0.00 H new ATOM 1181 N VAL B 393 1.614 -16.331 -0.815 1.00 0.00 N ATOM 1182 CA VAL B 393 1.533 -17.466 0.097 1.00 0.00 C ATOM 1183 C VAL B 393 0.442 -18.440 -0.333 1.00 0.00 C ATOM 1184 O VAL B 393 0.695 -19.632 -0.517 1.00 0.00 O ATOM 1185 CB VAL B 393 1.256 -17.007 1.541 1.00 0.00 C ATOM 1186 CG1 VAL B 393 1.073 -18.207 2.457 1.00 0.00 C ATOM 1187 CG2 VAL B 393 2.379 -16.111 2.040 1.00 0.00 C ATOM 0 H VAL B 393 1.376 -15.433 -0.393 1.00 0.00 H new ATOM 0 HA VAL B 393 2.499 -17.969 0.062 1.00 0.00 H new ATOM 0 HB VAL B 393 0.331 -16.430 1.549 1.00 0.00 H new ATOM 0 HG11 VAL B 393 0.878 -17.863 3.473 1.00 0.00 H new ATOM 0 HG12 VAL B 393 0.231 -18.805 2.109 1.00 0.00 H new ATOM 0 HG13 VAL B 393 1.978 -18.814 2.447 1.00 0.00 H new ATOM 0 HG21 VAL B 393 2.167 -15.796 3.062 1.00 0.00 H new ATOM 0 HG22 VAL B 393 3.320 -16.661 2.018 1.00 0.00 H new ATOM 0 HG23 VAL B 393 2.456 -15.233 1.399 1.00 0.00 H new ATOM 1197 N THR B 394 -0.773 -17.927 -0.494 1.00 0.00 N ATOM 1198 CA THR B 394 -1.904 -18.751 -0.902 1.00 0.00 C ATOM 1199 C THR B 394 -1.610 -19.478 -2.209 1.00 0.00 C ATOM 1200 O THR B 394 -1.949 -20.652 -2.368 1.00 0.00 O ATOM 1201 CB THR B 394 -3.181 -17.907 -1.072 1.00 0.00 C ATOM 1202 OG1 THR B 394 -3.381 -17.082 0.081 1.00 0.00 O ATOM 1203 CG2 THR B 394 -4.395 -18.800 -1.280 1.00 0.00 C ATOM 0 H THR B 394 -1.000 -16.943 -0.348 1.00 0.00 H new ATOM 0 HA THR B 394 -2.065 -19.483 -0.111 1.00 0.00 H new ATOM 0 HB THR B 394 -3.058 -17.276 -1.952 1.00 0.00 H new ATOM 0 HG1 THR B 394 -2.869 -16.252 -0.018 1.00 0.00 H new ATOM 0 HG21 THR B 394 -5.285 -18.182 -1.398 1.00 0.00 H new ATOM 0 HG22 THR B 394 -4.252 -19.405 -2.175 1.00 0.00 H new ATOM 0 HG23 THR B 394 -4.518 -19.453 -0.416 1.00 0.00 H new ATOM 1211 N LEU B 395 -0.978 -18.776 -3.142 1.00 0.00 N ATOM 1212 CA LEU B 395 -0.637 -19.355 -4.437 1.00 0.00 C ATOM 1213 C LEU B 395 0.484 -20.380 -4.297 1.00 0.00 C ATOM 1214 O LEU B 395 0.440 -21.450 -4.905 1.00 0.00 O ATOM 1215 CB LEU B 395 -0.220 -18.256 -5.416 1.00 0.00 C ATOM 1216 CG LEU B 395 -1.347 -17.373 -5.954 1.00 0.00 C ATOM 1217 CD1 LEU B 395 -0.789 -16.063 -6.488 1.00 0.00 C ATOM 1218 CD2 LEU B 395 -2.127 -18.104 -7.036 1.00 0.00 C ATOM 0 H LEU B 395 -0.691 -17.804 -3.026 1.00 0.00 H new ATOM 0 HA LEU B 395 -1.521 -19.861 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU B 395 0.512 -17.616 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU B 395 0.284 -18.723 -6.262 1.00 0.00 H new ATOM 0 HG LEU B 395 -2.029 -17.146 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU B 395 -1.605 -15.447 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU B 395 -0.276 -15.532 -5.686 1.00 0.00 H new ATOM 0 HD13 LEU B 395 -0.085 -16.269 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU B 395 -2.925 -17.461 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU B 395 -1.457 -18.361 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU B 395 -2.559 -19.015 -6.621 1.00 0.00 H new ATOM 1230 N CYS B 396 1.485 -20.046 -3.491 1.00 0.00 N ATOM 1231 CA CYS B 396 2.618 -20.938 -3.269 1.00 0.00 C ATOM 1232 C CYS B 396 2.172 -22.223 -2.579 1.00 0.00 C ATOM 1233 O CYS B 396 2.593 -23.318 -2.952 1.00 0.00 O ATOM 1234 CB CYS B 396 3.688 -20.239 -2.430 1.00 0.00 C ATOM 1235 SG CYS B 396 4.767 -19.139 -3.376 1.00 0.00 S ATOM 0 H CYS B 396 1.536 -19.165 -2.980 1.00 0.00 H new ATOM 0 HA CYS B 396 3.040 -21.197 -4.240 1.00 0.00 H new ATOM 0 HB2 CYS B 396 3.199 -19.663 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS B 396 4.300 -20.995 -1.938 1.00 0.00 H new ATOM 0 HG CYS B 396 4.200 -17.976 -3.499 1.00 0.00 H new ATOM 1241 N ARG B 397 1.318 -22.081 -1.570 1.00 0.00 N ATOM 1242 CA ARG B 397 0.817 -23.230 -0.826 1.00 0.00 C ATOM 1243 C ARG B 397 -0.069 -24.104 -1.707 1.00 0.00 C ATOM 1244 O ARG B 397 -0.247 -25.294 -1.442 1.00 0.00 O ATOM 1245 CB ARG B 397 0.033 -22.765 0.403 1.00 0.00 C ATOM 1246 CG ARG B 397 0.828 -21.853 1.323 1.00 0.00 C ATOM 1247 CD ARG B 397 1.521 -22.639 2.425 1.00 0.00 C ATOM 1248 NE ARG B 397 2.010 -21.770 3.492 1.00 0.00 N ATOM 1249 CZ ARG B 397 1.223 -21.214 4.406 1.00 0.00 C ATOM 1250 NH1 ARG B 397 -0.084 -21.436 4.384 1.00 0.00 N ATOM 1251 NH2 ARG B 397 1.743 -20.436 5.346 1.00 0.00 N ATOM 0 H ARG B 397 0.959 -21.182 -1.249 1.00 0.00 H new ATOM 0 HA ARG B 397 1.672 -23.822 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG B 397 -0.865 -22.242 0.074 1.00 0.00 H new ATOM 0 HB3 ARG B 397 -0.295 -23.639 0.966 1.00 0.00 H new ATOM 0 HG2 ARG B 397 1.571 -21.307 0.742 1.00 0.00 H new ATOM 0 HG3 ARG B 397 0.163 -21.112 1.766 1.00 0.00 H new ATOM 0 HD2 ARG B 397 0.827 -23.369 2.841 1.00 0.00 H new ATOM 0 HD3 ARG B 397 2.355 -23.198 2.002 1.00 0.00 H new ATOM 0 HE ARG B 397 3.011 -21.580 3.538 1.00 0.00 H new ATOM 0 HH11 ARG B 397 -0.487 -22.035 3.664 1.00 0.00 H new ATOM 0 HH12 ARG B 397 -0.686 -21.008 5.087 1.00 0.00 H new ATOM 0 HH21 ARG B 397 2.748 -20.264 5.367 1.00 0.00 H new ATOM 0 HH22 ARG B 397 1.138 -20.009 6.047 1.00 0.00 H new