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= 0.0088 USER MOD Single : A 394 THR OG1 : rot 79:sc= 0.758 USER MOD Single : A 396 CYS SG : rot 93:sc= -0.0838 USER MOD Single : B 378 SER OG : rot 180:sc= 0 USER MOD Single : B 379 TYR OH : rot -104:sc= 0.0087 USER MOD Single : B 394 THR OG1 : rot 81:sc= 0.684 USER MOD Single : B 396 CYS SG : rot 85:sc= -0.0581 USER MOD ----------------------------------------------------------------- ATOM 277 N LEU A 377 -2.713 6.402 -8.507 1.00 0.00 N ATOM 278 CA LEU A 377 -3.807 5.577 -8.006 1.00 0.00 C ATOM 279 C LEU A 377 -4.054 4.384 -8.923 1.00 0.00 C ATOM 280 O LEU A 377 -4.404 3.297 -8.464 1.00 0.00 O ATOM 281 CB LEU A 377 -5.083 6.411 -7.879 1.00 0.00 C ATOM 282 CG LEU A 377 -5.207 7.261 -6.615 1.00 0.00 C ATOM 283 CD1 LEU A 377 -6.315 8.292 -6.771 1.00 0.00 C ATOM 284 CD2 LEU A 377 -5.465 6.379 -5.402 1.00 0.00 C ATOM 0 HA LEU A 377 -3.526 5.202 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -5.149 7.071 -8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.939 5.738 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 377 -4.266 7.789 -6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -6.388 8.888 -5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -6.089 8.944 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -7.263 7.784 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -5.550 7.001 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.391 5.823 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -4.638 5.680 -5.278 1.00 0.00 H new ATOM 296 N SER A 378 -3.866 4.594 -10.222 1.00 0.00 N ATOM 297 CA SER A 378 -4.070 3.536 -11.205 1.00 0.00 C ATOM 298 C SER A 378 -3.356 2.256 -10.781 1.00 0.00 C ATOM 299 O SER A 378 -3.830 1.151 -11.046 1.00 0.00 O ATOM 300 CB SER A 378 -3.565 3.983 -12.579 1.00 0.00 C ATOM 301 OG SER A 378 -2.168 4.215 -12.558 1.00 0.00 O ATOM 0 H SER A 378 -3.573 5.487 -10.618 1.00 0.00 H new ATOM 0 HA SER A 378 -5.139 3.332 -11.267 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.799 3.220 -13.322 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.083 4.893 -12.882 1.00 0.00 H new ATOM 0 HG SER A 378 -1.870 4.498 -13.448 1.00 0.00 H new ATOM 307 N TYR A 379 -2.214 2.414 -10.121 1.00 0.00 N ATOM 308 CA TYR A 379 -1.433 1.272 -9.662 1.00 0.00 C ATOM 309 C TYR A 379 -2.174 0.510 -8.567 1.00 0.00 C ATOM 310 O TYR A 379 -2.373 -0.700 -8.662 1.00 0.00 O ATOM 311 CB TYR A 379 -0.070 1.734 -9.144 1.00 0.00 C ATOM 312 CG TYR A 379 0.951 0.623 -9.051 1.00 0.00 C ATOM 313 CD1 TYR A 379 1.384 -0.046 -10.189 1.00 0.00 C ATOM 314 CD2 TYR A 379 1.482 0.242 -7.825 1.00 0.00 C ATOM 315 CE1 TYR A 379 2.317 -1.063 -10.108 1.00 0.00 C ATOM 316 CE2 TYR A 379 2.416 -0.772 -7.735 1.00 0.00 C ATOM 317 CZ TYR A 379 2.830 -1.421 -8.879 1.00 0.00 C ATOM 318 OH TYR A 379 3.759 -2.433 -8.794 1.00 0.00 O ATOM 0 H TYR A 379 -1.809 3.322 -9.892 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.284 0.602 -10.509 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.314 2.514 -9.801 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -0.198 2.182 -8.159 1.00 0.00 H new ATOM 0 HD1 TYR A 379 0.985 0.233 -11.153 1.00 0.00 H new ATOM 0 HD2 TYR A 379 1.159 0.747 -6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 379 2.642 -1.574 -11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 379 2.820 -1.055 -6.774 1.00 0.00 H new ATOM 0 HH TYR A 379 3.331 -3.241 -8.440 1.00 0.00 H new ATOM 328 N GLY A 380 -2.581 1.230 -7.525 1.00 0.00 N ATOM 329 CA GLY A 380 -3.295 0.607 -6.427 1.00 0.00 C ATOM 330 C GLY A 380 -4.675 0.127 -6.831 1.00 0.00 C ATOM 331 O GLY A 380 -5.024 -1.034 -6.616 1.00 0.00 O ATOM 0 H GLY A 380 -2.429 2.233 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 380 -2.715 -0.237 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 380 -3.387 1.319 -5.607 1.00 0.00 H new ATOM 335 N VAL A 381 -5.464 1.023 -7.416 1.00 0.00 N ATOM 336 CA VAL A 381 -6.814 0.684 -7.851 1.00 0.00 C ATOM 337 C VAL A 381 -6.790 -0.386 -8.936 1.00 0.00 C ATOM 338 O VAL A 381 -7.470 -1.406 -8.831 1.00 0.00 O ATOM 339 CB VAL A 381 -7.559 1.923 -8.383 1.00 0.00 C ATOM 340 CG1 VAL A 381 -9.048 1.638 -8.508 1.00 0.00 C ATOM 341 CG2 VAL A 381 -7.311 3.122 -7.481 1.00 0.00 C ATOM 0 H VAL A 381 -5.192 1.989 -7.600 1.00 0.00 H new ATOM 0 HA VAL A 381 -7.341 0.299 -6.978 1.00 0.00 H new ATOM 0 HB VAL A 381 -7.174 2.158 -9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 381 -9.558 2.525 -8.885 1.00 0.00 H new ATOM 0 HG12 VAL A 381 -9.203 0.809 -9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 381 -9.452 1.376 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 381 -7.845 3.988 -7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 381 -7.667 2.900 -6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 381 -6.243 3.338 -7.449 1.00 0.00 H new ATOM 351 N GLY A 382 -6.000 -0.147 -9.979 1.00 0.00 N ATOM 352 CA GLY A 382 -5.902 -1.100 -11.069 1.00 0.00 C ATOM 353 C GLY A 382 -5.595 -2.504 -10.586 1.00 0.00 C ATOM 354 O GLY A 382 -6.246 -3.465 -10.996 1.00 0.00 O ATOM 0 H GLY A 382 -5.426 0.689 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -6.839 -1.108 -11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.123 -0.778 -11.760 1.00 0.00 H new ATOM 358 N PHE A 383 -4.601 -2.623 -9.712 1.00 0.00 N ATOM 359 CA PHE A 383 -4.207 -3.920 -9.175 1.00 0.00 C ATOM 360 C PHE A 383 -5.328 -4.523 -8.333 1.00 0.00 C ATOM 361 O PHE A 383 -5.496 -5.742 -8.284 1.00 0.00 O ATOM 362 CB PHE A 383 -2.938 -3.783 -8.331 1.00 0.00 C ATOM 363 CG PHE A 383 -2.288 -5.097 -8.007 1.00 0.00 C ATOM 364 CD1 PHE A 383 -1.911 -5.967 -9.018 1.00 0.00 C ATOM 365 CD2 PHE A 383 -2.054 -5.464 -6.691 1.00 0.00 C ATOM 366 CE1 PHE A 383 -1.314 -7.178 -8.722 1.00 0.00 C ATOM 367 CE2 PHE A 383 -1.457 -6.673 -6.389 1.00 0.00 C ATOM 368 CZ PHE A 383 -1.085 -7.531 -7.406 1.00 0.00 C ATOM 0 H PHE A 383 -4.054 -1.837 -9.361 1.00 0.00 H new ATOM 0 HA PHE A 383 -4.007 -4.587 -10.014 1.00 0.00 H new ATOM 0 HB2 PHE A 383 -2.224 -3.155 -8.863 1.00 0.00 H new ATOM 0 HB3 PHE A 383 -3.183 -3.269 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 383 -2.086 -5.696 -10.049 1.00 0.00 H new ATOM 0 HD2 PHE A 383 -2.342 -4.797 -5.892 1.00 0.00 H new ATOM 0 HE1 PHE A 383 -1.027 -7.848 -9.519 1.00 0.00 H new ATOM 0 HE2 PHE A 383 -1.281 -6.947 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 383 -0.616 -8.476 -7.173 1.00 0.00 H new ATOM 378 N PHE A 384 -6.092 -3.660 -7.671 1.00 0.00 N ATOM 379 CA PHE A 384 -7.196 -4.106 -6.829 1.00 0.00 C ATOM 380 C PHE A 384 -8.239 -4.856 -7.652 1.00 0.00 C ATOM 381 O PHE A 384 -8.637 -5.970 -7.306 1.00 0.00 O ATOM 382 CB PHE A 384 -7.846 -2.911 -6.128 1.00 0.00 C ATOM 383 CG PHE A 384 -8.452 -3.254 -4.798 1.00 0.00 C ATOM 384 CD1 PHE A 384 -9.342 -4.309 -4.678 1.00 0.00 C ATOM 385 CD2 PHE A 384 -8.132 -2.521 -3.666 1.00 0.00 C ATOM 386 CE1 PHE A 384 -9.902 -4.626 -3.455 1.00 0.00 C ATOM 387 CE2 PHE A 384 -8.688 -2.833 -2.440 1.00 0.00 C ATOM 388 CZ PHE A 384 -9.574 -3.888 -2.334 1.00 0.00 C ATOM 0 H PHE A 384 -5.967 -2.648 -7.701 1.00 0.00 H new ATOM 0 HA PHE A 384 -6.795 -4.785 -6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 384 -7.097 -2.131 -5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 384 -8.619 -2.497 -6.775 1.00 0.00 H new ATOM 0 HD1 PHE A 384 -9.601 -4.890 -5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 384 -7.440 -1.696 -3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 384 -10.596 -5.450 -3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 384 -8.430 -2.253 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 384 -10.009 -4.135 -1.377 1.00 0.00 H new ATOM 398 N LEU A 385 -8.678 -4.239 -8.743 1.00 0.00 N ATOM 399 CA LEU A 385 -9.676 -4.846 -9.617 1.00 0.00 C ATOM 400 C LEU A 385 -9.137 -6.125 -10.251 1.00 0.00 C ATOM 401 O LEU A 385 -9.794 -7.166 -10.228 1.00 0.00 O ATOM 402 CB LEU A 385 -10.096 -3.860 -10.708 1.00 0.00 C ATOM 403 CG LEU A 385 -10.280 -2.408 -10.265 1.00 0.00 C ATOM 404 CD1 LEU A 385 -10.947 -1.595 -11.365 1.00 0.00 C ATOM 405 CD2 LEU A 385 -11.096 -2.342 -8.982 1.00 0.00 C ATOM 0 H LEU A 385 -8.359 -3.318 -9.044 1.00 0.00 H new ATOM 0 HA LEU A 385 -10.547 -5.100 -9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -9.348 -3.885 -11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -11.033 -4.208 -11.143 1.00 0.00 H new ATOM 0 HG LEU A 385 -9.297 -1.980 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -11.070 -0.564 -11.032 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -10.326 -1.616 -12.260 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -11.924 -2.022 -11.592 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -11.217 -1.301 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -12.076 -2.787 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -10.580 -2.890 -8.194 1.00 0.00 H new ATOM 417 N PHE A 386 -7.937 -6.039 -10.816 1.00 0.00 N ATOM 418 CA PHE A 386 -7.310 -7.190 -11.456 1.00 0.00 C ATOM 419 C PHE A 386 -7.086 -8.316 -10.451 1.00 0.00 C ATOM 420 O PHE A 386 -7.215 -9.494 -10.785 1.00 0.00 O ATOM 421 CB PHE A 386 -5.977 -6.784 -12.089 1.00 0.00 C ATOM 422 CG PHE A 386 -5.607 -7.610 -13.288 1.00 0.00 C ATOM 423 CD1 PHE A 386 -5.042 -8.865 -13.133 1.00 0.00 C ATOM 424 CD2 PHE A 386 -5.824 -7.130 -14.569 1.00 0.00 C ATOM 425 CE1 PHE A 386 -4.700 -9.627 -14.234 1.00 0.00 C ATOM 426 CE2 PHE A 386 -5.484 -7.887 -15.675 1.00 0.00 C ATOM 427 CZ PHE A 386 -4.922 -9.138 -15.507 1.00 0.00 C ATOM 0 H PHE A 386 -7.380 -5.185 -10.844 1.00 0.00 H new ATOM 0 HA PHE A 386 -7.981 -7.551 -12.236 1.00 0.00 H new ATOM 0 HB2 PHE A 386 -6.027 -5.735 -12.382 1.00 0.00 H new ATOM 0 HB3 PHE A 386 -5.188 -6.869 -11.342 1.00 0.00 H new ATOM 0 HD1 PHE A 386 -4.867 -9.253 -12.140 1.00 0.00 H new ATOM 0 HD2 PHE A 386 -6.264 -6.153 -14.706 1.00 0.00 H new ATOM 0 HE1 PHE A 386 -4.260 -10.604 -14.099 1.00 0.00 H new ATOM 0 HE2 PHE A 386 -5.657 -7.501 -16.669 1.00 0.00 H new ATOM 0 HZ PHE A 386 -4.657 -9.732 -16.369 1.00 0.00 H new ATOM 437 N ILE A 387 -6.751 -7.945 -9.220 1.00 0.00 N ATOM 438 CA ILE A 387 -6.510 -8.923 -8.166 1.00 0.00 C ATOM 439 C ILE A 387 -7.816 -9.547 -7.687 1.00 0.00 C ATOM 440 O ILE A 387 -7.860 -10.725 -7.329 1.00 0.00 O ATOM 441 CB ILE A 387 -5.785 -8.288 -6.965 1.00 0.00 C ATOM 442 CG1 ILE A 387 -4.290 -8.151 -7.258 1.00 0.00 C ATOM 443 CG2 ILE A 387 -6.010 -9.121 -5.711 1.00 0.00 C ATOM 444 CD1 ILE A 387 -3.579 -9.477 -7.406 1.00 0.00 C ATOM 0 H ILE A 387 -6.640 -6.974 -8.928 1.00 0.00 H new ATOM 0 HA ILE A 387 -5.875 -9.699 -8.593 1.00 0.00 H new ATOM 0 HB ILE A 387 -6.195 -7.292 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 387 -4.159 -7.574 -8.173 1.00 0.00 H new ATOM 0 HG13 ILE A 387 -3.821 -7.584 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 387 -5.492 -8.660 -4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 387 -7.077 -9.173 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 387 -5.622 -10.128 -5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 387 -2.523 -9.303 -7.612 1.00 0.00 H new ATOM 0 HD12 ILE A 387 -3.679 -10.048 -6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 387 -4.022 -10.037 -8.229 1.00 0.00 H new ATOM 456 N LEU A 388 -8.879 -8.751 -7.683 1.00 0.00 N ATOM 457 CA LEU A 388 -10.189 -9.225 -7.249 1.00 0.00 C ATOM 458 C LEU A 388 -10.693 -10.341 -8.158 1.00 0.00 C ATOM 459 O LEU A 388 -11.156 -11.379 -7.686 1.00 0.00 O ATOM 460 CB LEU A 388 -11.192 -8.071 -7.235 1.00 0.00 C ATOM 461 CG LEU A 388 -11.139 -7.150 -6.015 1.00 0.00 C ATOM 462 CD1 LEU A 388 -11.888 -5.855 -6.291 1.00 0.00 C ATOM 463 CD2 LEU A 388 -11.714 -7.850 -4.793 1.00 0.00 C ATOM 0 H LEU A 388 -8.860 -7.774 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 388 -10.088 -9.622 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 388 -11.033 -7.467 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 388 -12.196 -8.488 -7.307 1.00 0.00 H new ATOM 0 HG LEU A 388 -10.096 -6.907 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 388 -11.840 -5.212 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 388 -11.432 -5.345 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 388 -12.930 -6.079 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 388 -11.668 -7.180 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 388 -12.752 -8.123 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 388 -11.135 -8.749 -4.583 1.00 0.00 H new ATOM 475 N VAL A 389 -10.597 -10.120 -9.466 1.00 0.00 N ATOM 476 CA VAL A 389 -11.040 -11.108 -10.442 1.00 0.00 C ATOM 477 C VAL A 389 -10.047 -12.261 -10.547 1.00 0.00 C ATOM 478 O VAL A 389 -10.437 -13.418 -10.702 1.00 0.00 O ATOM 479 CB VAL A 389 -11.226 -10.477 -11.835 1.00 0.00 C ATOM 480 CG1 VAL A 389 -11.773 -11.502 -12.817 1.00 0.00 C ATOM 481 CG2 VAL A 389 -12.141 -9.265 -11.752 1.00 0.00 C ATOM 0 H VAL A 389 -10.217 -9.266 -9.873 1.00 0.00 H new ATOM 0 HA VAL A 389 -12.000 -11.489 -10.093 1.00 0.00 H new ATOM 0 HB VAL A 389 -10.253 -10.145 -12.198 1.00 0.00 H new ATOM 0 HG11 VAL A 389 -11.898 -11.038 -13.795 1.00 0.00 H new ATOM 0 HG12 VAL A 389 -11.077 -12.337 -12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 389 -12.737 -11.867 -12.463 1.00 0.00 H new ATOM 0 HG21 VAL A 389 -12.262 -8.831 -12.745 1.00 0.00 H new ATOM 0 HG22 VAL A 389 -13.115 -9.570 -11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 389 -11.703 -8.524 -11.083 1.00 0.00 H new ATOM 491 N VAL A 390 -8.761 -11.936 -10.461 1.00 0.00 N ATOM 492 CA VAL A 390 -7.711 -12.945 -10.544 1.00 0.00 C ATOM 493 C VAL A 390 -7.711 -13.841 -9.311 1.00 0.00 C ATOM 494 O VAL A 390 -7.774 -15.065 -9.420 1.00 0.00 O ATOM 495 CB VAL A 390 -6.322 -12.297 -10.695 1.00 0.00 C ATOM 496 CG1 VAL A 390 -5.229 -13.279 -10.302 1.00 0.00 C ATOM 497 CG2 VAL A 390 -6.118 -11.801 -12.119 1.00 0.00 C ATOM 0 H VAL A 390 -8.421 -10.983 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 390 -7.920 -13.548 -11.427 1.00 0.00 H new ATOM 0 HB VAL A 390 -6.265 -11.440 -10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.255 -12.803 -10.415 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.367 -13.581 -9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.281 -14.158 -10.945 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.132 -11.346 -12.208 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -6.194 -12.640 -12.811 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -6.882 -11.061 -12.360 1.00 0.00 H new ATOM 507 N ALA A 391 -7.640 -13.222 -8.137 1.00 0.00 N ATOM 508 CA ALA A 391 -7.634 -13.963 -6.882 1.00 0.00 C ATOM 509 C ALA A 391 -8.915 -14.775 -6.717 1.00 0.00 C ATOM 510 O ALA A 391 -8.878 -15.933 -6.303 1.00 0.00 O ATOM 511 CB ALA A 391 -7.455 -13.012 -5.708 1.00 0.00 C ATOM 0 H ALA A 391 -7.586 -12.209 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.795 -14.658 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -7.452 -13.579 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -6.509 -12.480 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.275 -12.294 -5.693 1.00 0.00 H new ATOM 517 N ALA A 392 -10.046 -14.158 -7.043 1.00 0.00 N ATOM 518 CA ALA A 392 -11.338 -14.824 -6.932 1.00 0.00 C ATOM 519 C ALA A 392 -11.368 -16.105 -7.758 1.00 0.00 C ATOM 520 O ALA A 392 -11.780 -17.159 -7.273 1.00 0.00 O ATOM 521 CB ALA A 392 -12.454 -13.886 -7.369 1.00 0.00 C ATOM 0 H ALA A 392 -10.094 -13.199 -7.386 1.00 0.00 H new ATOM 0 HA ALA A 392 -11.492 -15.093 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 392 -13.413 -14.396 -7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 392 -12.454 -13.000 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 392 -12.295 -13.589 -8.406 1.00 0.00 H new ATOM 527 N VAL A 393 -10.930 -16.008 -9.009 1.00 0.00 N ATOM 528 CA VAL A 393 -10.906 -17.160 -9.903 1.00 0.00 C ATOM 529 C VAL A 393 -9.901 -18.203 -9.427 1.00 0.00 C ATOM 530 O VAL A 393 -10.245 -19.369 -9.227 1.00 0.00 O ATOM 531 CB VAL A 393 -10.556 -16.745 -11.344 1.00 0.00 C ATOM 532 CG1 VAL A 393 -10.431 -17.970 -12.237 1.00 0.00 C ATOM 533 CG2 VAL A 393 -11.599 -15.782 -11.889 1.00 0.00 C ATOM 0 H VAL A 393 -10.587 -15.143 -9.427 1.00 0.00 H new ATOM 0 HA VAL A 393 -11.907 -17.592 -9.891 1.00 0.00 H new ATOM 0 HB VAL A 393 -9.593 -16.234 -11.333 1.00 0.00 H new ATOM 0 HG11 VAL A 393 -10.183 -17.657 -13.251 1.00 0.00 H new ATOM 0 HG12 VAL A 393 -9.643 -18.620 -11.855 1.00 0.00 H new ATOM 0 HG13 VAL A 393 -11.377 -18.512 -12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 393 -11.336 -15.499 -12.908 1.00 0.00 H new ATOM 0 HG22 VAL A 393 -12.576 -16.265 -11.887 1.00 0.00 H new ATOM 0 HG23 VAL A 393 -11.634 -14.891 -11.263 1.00 0.00 H new ATOM 543 N THR A 394 -8.654 -17.778 -9.247 1.00 0.00 N ATOM 544 CA THR A 394 -7.598 -18.674 -8.796 1.00 0.00 C ATOM 545 C THR A 394 -7.975 -19.352 -7.484 1.00 0.00 C ATOM 546 O THR A 394 -7.728 -20.544 -7.295 1.00 0.00 O ATOM 547 CB THR A 394 -6.266 -17.924 -8.609 1.00 0.00 C ATOM 548 OG1 THR A 394 -5.929 -17.217 -9.808 1.00 0.00 O ATOM 549 CG2 THR A 394 -5.146 -18.890 -8.252 1.00 0.00 C ATOM 0 H THR A 394 -8.351 -16.817 -9.407 1.00 0.00 H new ATOM 0 HA THR A 394 -7.474 -19.431 -9.570 1.00 0.00 H new ATOM 0 HB THR A 394 -6.386 -17.214 -7.791 1.00 0.00 H new ATOM 0 HG1 THR A 394 -6.453 -16.390 -9.858 1.00 0.00 H new ATOM 0 HG21 THR A 394 -4.215 -18.337 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 394 -5.392 -19.405 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 394 -5.027 -19.621 -9.052 1.00 0.00 H new ATOM 557 N LEU A 395 -8.575 -18.586 -6.579 1.00 0.00 N ATOM 558 CA LEU A 395 -8.988 -19.113 -5.283 1.00 0.00 C ATOM 559 C LEU A 395 -10.183 -20.049 -5.432 1.00 0.00 C ATOM 560 O LEU A 395 -10.163 -21.180 -4.943 1.00 0.00 O ATOM 561 CB LEU A 395 -9.339 -17.967 -4.333 1.00 0.00 C ATOM 562 CG LEU A 395 -8.160 -17.146 -3.808 1.00 0.00 C ATOM 563 CD1 LEU A 395 -8.635 -15.792 -3.304 1.00 0.00 C ATOM 564 CD2 LEU A 395 -7.432 -17.902 -2.706 1.00 0.00 C ATOM 0 H LEU A 395 -8.786 -17.598 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 395 -8.155 -19.680 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 395 -10.025 -17.293 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 395 -9.877 -18.381 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 395 -7.463 -16.981 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 395 -7.783 -15.222 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 395 -9.110 -15.247 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 395 -9.353 -15.936 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 395 -6.596 -17.303 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 395 -8.120 -18.098 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 395 -7.057 -18.847 -3.099 1.00 0.00 H new ATOM 576 N CYS A 396 -11.221 -19.572 -6.109 1.00 0.00 N ATOM 577 CA CYS A 396 -12.425 -20.367 -6.324 1.00 0.00 C ATOM 578 C CYS A 396 -12.092 -21.680 -7.024 1.00 0.00 C ATOM 579 O CYS A 396 -12.673 -22.722 -6.719 1.00 0.00 O ATOM 580 CB CYS A 396 -13.442 -19.578 -7.150 1.00 0.00 C ATOM 581 SG CYS A 396 -14.400 -18.379 -6.193 1.00 0.00 S ATOM 0 H CYS A 396 -11.254 -18.638 -6.519 1.00 0.00 H new ATOM 0 HA CYS A 396 -12.858 -20.595 -5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 396 -12.917 -19.053 -7.948 1.00 0.00 H new ATOM 0 HB3 CYS A 396 -14.128 -20.278 -7.626 1.00 0.00 H new ATOM 0 HG CYS A 396 -13.811 -17.221 -6.234 1.00 0.00 H new ATOM 587 N ARG A 397 -11.155 -21.622 -7.964 1.00 0.00 N ATOM 588 CA ARG A 397 -10.747 -22.807 -8.709 1.00 0.00 C ATOM 589 C ARG A 397 -9.608 -23.532 -7.998 1.00 0.00 C ATOM 590 O ARG A 397 -9.156 -24.588 -8.442 1.00 0.00 O ATOM 591 CB ARG A 397 -10.313 -22.420 -10.125 1.00 0.00 C ATOM 592 CG ARG A 397 -11.473 -22.260 -11.094 1.00 0.00 C ATOM 593 CD ARG A 397 -12.459 -21.207 -10.613 1.00 0.00 C ATOM 594 NE ARG A 397 -13.534 -20.983 -11.577 1.00 0.00 N ATOM 595 CZ ARG A 397 -14.293 -19.893 -11.591 1.00 0.00 C ATOM 596 NH1 ARG A 397 -14.096 -18.933 -10.699 1.00 0.00 N ATOM 597 NH2 ARG A 397 -15.252 -19.763 -12.499 1.00 0.00 N ATOM 0 H ARG A 397 -10.664 -20.768 -8.228 1.00 0.00 H new ATOM 0 HA ARG A 397 -11.602 -23.480 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 397 -9.755 -21.485 -10.082 1.00 0.00 H new ATOM 0 HB3 ARG A 397 -9.633 -23.180 -10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 397 -11.092 -21.982 -12.077 1.00 0.00 H new ATOM 0 HG3 ARG A 397 -11.986 -23.215 -11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 397 -12.886 -21.519 -9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 397 -11.931 -20.270 -10.435 1.00 0.00 H new ATOM 0 HE ARG A 397 -13.711 -21.703 -12.277 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -13.360 -19.030 -9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -14.680 -18.097 -10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -15.407 -20.500 -13.187 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -15.835 -18.926 -12.509 1.00 0.00 H new ATOM 912 N ILE B 376 -6.734 8.174 -0.074 1.00 0.00 N ATOM 913 CA ILE B 376 -7.410 7.189 -0.909 1.00 0.00 C ATOM 914 C ILE B 376 -6.427 6.151 -1.440 1.00 0.00 C ATOM 915 O ILE B 376 -6.813 5.035 -1.788 1.00 0.00 O ATOM 916 CB ILE B 376 -8.127 7.856 -2.098 1.00 0.00 C ATOM 917 CG1 ILE B 376 -8.809 9.150 -1.649 1.00 0.00 C ATOM 918 CG2 ILE B 376 -9.142 6.900 -2.708 1.00 0.00 C ATOM 919 CD1 ILE B 376 -9.680 9.775 -2.717 1.00 0.00 C ATOM 0 HA ILE B 376 -8.150 6.696 -0.279 1.00 0.00 H new ATOM 0 HB ILE B 376 -7.386 8.103 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE B 376 -9.418 8.944 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE B 376 -8.046 9.868 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE B 376 -9.641 7.385 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE B 376 -8.632 6.003 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE B 376 -9.882 6.626 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE B 376 -10.132 10.688 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE B 376 -9.072 10.013 -3.590 1.00 0.00 H new ATOM 0 HD13 ILE B 376 -10.465 9.075 -3.002 1.00 0.00 H new ATOM 931 N LEU B 377 -5.154 6.526 -1.497 1.00 0.00 N ATOM 932 CA LEU B 377 -4.113 5.627 -1.983 1.00 0.00 C ATOM 933 C LEU B 377 -3.949 4.430 -1.052 1.00 0.00 C ATOM 934 O LEU B 377 -3.673 3.316 -1.500 1.00 0.00 O ATOM 935 CB LEU B 377 -2.784 6.374 -2.111 1.00 0.00 C ATOM 936 CG LEU B 377 -2.598 7.198 -3.385 1.00 0.00 C ATOM 937 CD1 LEU B 377 -1.425 8.155 -3.235 1.00 0.00 C ATOM 938 CD2 LEU B 377 -2.393 6.285 -4.586 1.00 0.00 C ATOM 0 H LEU B 377 -4.818 7.446 -1.213 1.00 0.00 H new ATOM 0 HA LEU B 377 -4.413 5.262 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU B 377 -2.680 7.039 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU B 377 -1.974 5.647 -2.051 1.00 0.00 H new ATOM 0 HG LEU B 377 -3.501 7.785 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU B 377 -1.308 8.733 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU B 377 -1.612 8.831 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU B 377 -0.514 7.587 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU B 377 -2.262 6.889 -5.484 1.00 0.00 H new ATOM 0 HD22 LEU B 377 -1.506 5.671 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU B 377 -3.264 5.640 -4.706 1.00 0.00 H new ATOM 950 N SER B 378 -4.121 4.667 0.244 1.00 0.00 N ATOM 951 CA SER B 378 -3.991 3.608 1.238 1.00 0.00 C ATOM 952 C SER B 378 -4.789 2.375 0.827 1.00 0.00 C ATOM 953 O SER B 378 -4.392 1.243 1.106 1.00 0.00 O ATOM 954 CB SER B 378 -4.464 4.103 2.606 1.00 0.00 C ATOM 955 OG SER B 378 -5.843 4.431 2.581 1.00 0.00 O ATOM 0 H SER B 378 -4.351 5.583 0.630 1.00 0.00 H new ATOM 0 HA SER B 378 -2.938 3.332 1.303 1.00 0.00 H new ATOM 0 HB2 SER B 378 -4.284 3.334 3.357 1.00 0.00 H new ATOM 0 HB3 SER B 378 -3.884 4.978 2.900 1.00 0.00 H new ATOM 0 HG SER B 378 -6.121 4.743 3.467 1.00 0.00 H new ATOM 961 N TYR B 379 -5.917 2.602 0.163 1.00 0.00 N ATOM 962 CA TYR B 379 -6.774 1.511 -0.285 1.00 0.00 C ATOM 963 C TYR B 379 -6.086 0.690 -1.371 1.00 0.00 C ATOM 964 O TYR B 379 -5.970 -0.530 -1.263 1.00 0.00 O ATOM 965 CB TYR B 379 -8.102 2.060 -0.808 1.00 0.00 C ATOM 966 CG TYR B 379 -9.195 1.018 -0.894 1.00 0.00 C ATOM 967 CD1 TYR B 379 -9.676 0.391 0.249 1.00 0.00 C ATOM 968 CD2 TYR B 379 -9.749 0.663 -2.118 1.00 0.00 C ATOM 969 CE1 TYR B 379 -10.674 -0.561 0.175 1.00 0.00 C ATOM 970 CE2 TYR B 379 -10.748 -0.287 -2.201 1.00 0.00 C ATOM 971 CZ TYR B 379 -11.207 -0.897 -1.052 1.00 0.00 C ATOM 972 OH TYR B 379 -12.202 -1.844 -1.130 1.00 0.00 O ATOM 0 H TYR B 379 -6.259 3.532 -0.077 1.00 0.00 H new ATOM 0 HA TYR B 379 -6.969 0.861 0.568 1.00 0.00 H new ATOM 0 HB2 TYR B 379 -8.433 2.869 -0.157 1.00 0.00 H new ATOM 0 HB3 TYR B 379 -7.944 2.491 -1.797 1.00 0.00 H new ATOM 0 HD1 TYR B 379 -9.262 0.653 1.212 1.00 0.00 H new ATOM 0 HD2 TYR B 379 -9.392 1.138 -3.020 1.00 0.00 H new ATOM 0 HE1 TYR B 379 -11.035 -1.040 1.073 1.00 0.00 H new ATOM 0 HE2 TYR B 379 -11.168 -0.551 -3.160 1.00 0.00 H new ATOM 0 HH TYR B 379 -11.826 -2.688 -1.457 1.00 0.00 H new ATOM 982 N GLY B 380 -5.631 1.369 -2.420 1.00 0.00 N ATOM 983 CA GLY B 380 -4.960 0.688 -3.511 1.00 0.00 C ATOM 984 C GLY B 380 -3.616 0.120 -3.101 1.00 0.00 C ATOM 985 O GLY B 380 -3.347 -1.064 -3.302 1.00 0.00 O ATOM 0 H GLY B 380 -5.715 2.379 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY B 380 -5.595 -0.118 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY B 380 -4.820 1.384 -4.338 1.00 0.00 H new ATOM 989 N VAL B 381 -2.768 0.967 -2.527 1.00 0.00 N ATOM 990 CA VAL B 381 -1.443 0.543 -2.088 1.00 0.00 C ATOM 991 C VAL B 381 -1.539 -0.509 -0.990 1.00 0.00 C ATOM 992 O VAL B 381 -0.928 -1.573 -1.079 1.00 0.00 O ATOM 993 CB VAL B 381 -0.615 1.735 -1.572 1.00 0.00 C ATOM 994 CG1 VAL B 381 0.851 1.351 -1.445 1.00 0.00 C ATOM 995 CG2 VAL B 381 -0.782 2.937 -2.490 1.00 0.00 C ATOM 0 H VAL B 381 -2.974 1.951 -2.355 1.00 0.00 H new ATOM 0 HA VAL B 381 -0.944 0.113 -2.956 1.00 0.00 H new ATOM 0 HB VAL B 381 -0.982 2.009 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL B 381 1.421 2.205 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL B 381 0.951 0.522 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL B 381 1.234 1.050 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL B 381 -0.190 3.770 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL B 381 -0.443 2.679 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL B 381 -1.833 3.225 -2.525 1.00 0.00 H new ATOM 1005 N GLY B 382 -2.312 -0.204 0.049 1.00 0.00 N ATOM 1006 CA GLY B 382 -2.474 -1.134 1.151 1.00 0.00 C ATOM 1007 C GLY B 382 -2.875 -2.520 0.686 1.00 0.00 C ATOM 1008 O GLY B 382 -2.293 -3.518 1.112 1.00 0.00 O ATOM 0 H GLY B 382 -2.828 0.670 0.147 1.00 0.00 H new ATOM 0 HA2 GLY B 382 -1.540 -1.198 1.709 1.00 0.00 H new ATOM 0 HA3 GLY B 382 -3.230 -0.752 1.837 1.00 0.00 H new ATOM 1012 N PHE B 383 -3.873 -2.583 -0.189 1.00 0.00 N ATOM 1013 CA PHE B 383 -4.353 -3.857 -0.710 1.00 0.00 C ATOM 1014 C PHE B 383 -3.276 -4.545 -1.544 1.00 0.00 C ATOM 1015 O PHE B 383 -3.190 -5.772 -1.577 1.00 0.00 O ATOM 1016 CB PHE B 383 -5.610 -3.645 -1.556 1.00 0.00 C ATOM 1017 CG PHE B 383 -6.347 -4.917 -1.864 1.00 0.00 C ATOM 1018 CD1 PHE B 383 -6.785 -5.745 -0.843 1.00 0.00 C ATOM 1019 CD2 PHE B 383 -6.603 -5.285 -3.176 1.00 0.00 C ATOM 1020 CE1 PHE B 383 -7.464 -6.916 -1.123 1.00 0.00 C ATOM 1021 CE2 PHE B 383 -7.281 -6.455 -3.462 1.00 0.00 C ATOM 1022 CZ PHE B 383 -7.711 -7.272 -2.434 1.00 0.00 C ATOM 0 H PHE B 383 -4.365 -1.767 -0.552 1.00 0.00 H new ATOM 0 HA PHE B 383 -4.597 -4.498 0.137 1.00 0.00 H new ATOM 0 HB2 PHE B 383 -6.280 -2.964 -1.032 1.00 0.00 H new ATOM 0 HB3 PHE B 383 -5.331 -3.160 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE B 383 -6.594 -5.472 0.184 1.00 0.00 H new ATOM 0 HD2 PHE B 383 -6.269 -4.650 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE B 383 -7.801 -7.552 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE B 383 -7.475 -6.730 -4.488 1.00 0.00 H new ATOM 0 HZ PHE B 383 -8.239 -8.187 -2.656 1.00 0.00 H new ATOM 1032 N PHE B 384 -2.456 -3.744 -2.216 1.00 0.00 N ATOM 1033 CA PHE B 384 -1.384 -4.274 -3.052 1.00 0.00 C ATOM 1034 C PHE B 384 -0.394 -5.082 -2.218 1.00 0.00 C ATOM 1035 O PHE B 384 -0.072 -6.224 -2.550 1.00 0.00 O ATOM 1036 CB PHE B 384 -0.656 -3.135 -3.767 1.00 0.00 C ATOM 1037 CG PHE B 384 -0.077 -3.534 -5.095 1.00 0.00 C ATOM 1038 CD1 PHE B 384 0.741 -4.647 -5.203 1.00 0.00 C ATOM 1039 CD2 PHE B 384 -0.352 -2.796 -6.235 1.00 0.00 C ATOM 1040 CE1 PHE B 384 1.275 -5.015 -6.423 1.00 0.00 C ATOM 1041 CE2 PHE B 384 0.179 -3.160 -7.458 1.00 0.00 C ATOM 1042 CZ PHE B 384 0.993 -4.272 -7.552 1.00 0.00 C ATOM 0 H PHE B 384 -2.513 -2.726 -2.198 1.00 0.00 H new ATOM 0 HA PHE B 384 -1.829 -4.934 -3.796 1.00 0.00 H new ATOM 0 HB2 PHE B 384 -1.350 -2.308 -3.916 1.00 0.00 H new ATOM 0 HB3 PHE B 384 0.145 -2.767 -3.126 1.00 0.00 H new ATOM 0 HD1 PHE B 384 0.964 -5.233 -4.324 1.00 0.00 H new ATOM 0 HD2 PHE B 384 -0.989 -1.926 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE B 384 1.913 -5.884 -6.493 1.00 0.00 H new ATOM 0 HE2 PHE B 384 -0.042 -2.576 -8.339 1.00 0.00 H new ATOM 0 HZ PHE B 384 1.408 -4.560 -8.507 1.00 0.00 H new ATOM 1052 N LEU B 385 0.086 -4.481 -1.135 1.00 0.00 N ATOM 1053 CA LEU B 385 1.041 -5.143 -0.253 1.00 0.00 C ATOM 1054 C LEU B 385 0.418 -6.375 0.397 1.00 0.00 C ATOM 1055 O LEU B 385 1.003 -7.458 0.386 1.00 0.00 O ATOM 1056 CB LEU B 385 1.527 -4.174 0.826 1.00 0.00 C ATOM 1057 CG LEU B 385 1.810 -2.744 0.364 1.00 0.00 C ATOM 1058 CD1 LEU B 385 2.532 -1.965 1.453 1.00 0.00 C ATOM 1059 CD2 LEU B 385 2.626 -2.750 -0.920 1.00 0.00 C ATOM 0 H LEU B 385 -0.170 -3.537 -0.846 1.00 0.00 H new ATOM 0 HA LEU B 385 1.892 -5.463 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU B 385 0.779 -4.138 1.618 1.00 0.00 H new ATOM 0 HB3 LEU B 385 2.438 -4.579 1.267 1.00 0.00 H new ATOM 0 HG LEU B 385 0.858 -2.252 0.163 1.00 0.00 H new ATOM 0 HD11 LEU B 385 2.725 -0.950 1.107 1.00 0.00 H new ATOM 0 HD12 LEU B 385 1.911 -1.931 2.348 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.477 -2.455 1.685 1.00 0.00 H new ATOM 0 HD21 LEU B 385 2.818 -1.724 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU B 385 3.574 -3.260 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU B 385 2.072 -3.271 -1.701 1.00 0.00 H new ATOM 1071 N PHE B 386 -0.772 -6.201 0.961 1.00 0.00 N ATOM 1072 CA PHE B 386 -1.476 -7.298 1.616 1.00 0.00 C ATOM 1073 C PHE B 386 -1.775 -8.420 0.625 1.00 0.00 C ATOM 1074 O PHE B 386 -1.726 -9.600 0.973 1.00 0.00 O ATOM 1075 CB PHE B 386 -2.778 -6.796 2.243 1.00 0.00 C ATOM 1076 CG PHE B 386 -3.191 -7.566 3.465 1.00 0.00 C ATOM 1077 CD1 PHE B 386 -3.772 -8.818 3.347 1.00 0.00 C ATOM 1078 CD2 PHE B 386 -2.998 -7.036 4.731 1.00 0.00 C ATOM 1079 CE1 PHE B 386 -4.152 -9.529 4.470 1.00 0.00 C ATOM 1080 CE2 PHE B 386 -3.376 -7.743 5.857 1.00 0.00 C ATOM 1081 CZ PHE B 386 -3.955 -8.990 5.726 1.00 0.00 C ATOM 0 H PHE B 386 -1.270 -5.311 0.978 1.00 0.00 H new ATOM 0 HA PHE B 386 -0.832 -7.692 2.402 1.00 0.00 H new ATOM 0 HB2 PHE B 386 -2.663 -5.745 2.507 1.00 0.00 H new ATOM 0 HB3 PHE B 386 -3.575 -6.853 1.501 1.00 0.00 H new ATOM 0 HD1 PHE B 386 -3.930 -9.243 2.367 1.00 0.00 H new ATOM 0 HD2 PHE B 386 -2.548 -6.060 4.839 1.00 0.00 H new ATOM 0 HE1 PHE B 386 -4.602 -10.505 4.365 1.00 0.00 H new ATOM 0 HE2 PHE B 386 -3.219 -7.321 6.838 1.00 0.00 H new ATOM 0 HZ PHE B 386 -4.253 -9.543 6.605 1.00 0.00 H new ATOM 1091 N ILE B 387 -2.086 -8.042 -0.610 1.00 0.00 N ATOM 1092 CA ILE B 387 -2.393 -9.015 -1.652 1.00 0.00 C ATOM 1093 C ILE B 387 -1.133 -9.733 -2.122 1.00 0.00 C ATOM 1094 O ILE B 387 -1.170 -10.915 -2.467 1.00 0.00 O ATOM 1095 CB ILE B 387 -3.073 -8.349 -2.862 1.00 0.00 C ATOM 1096 CG1 ILE B 387 -4.556 -8.109 -2.574 1.00 0.00 C ATOM 1097 CG2 ILE B 387 -2.901 -9.209 -4.106 1.00 0.00 C ATOM 1098 CD1 ILE B 387 -5.353 -9.383 -2.407 1.00 0.00 C ATOM 0 H ILE B 387 -2.132 -7.069 -0.914 1.00 0.00 H new ATOM 0 HA ILE B 387 -3.079 -9.740 -1.214 1.00 0.00 H new ATOM 0 HB ILE B 387 -2.597 -7.385 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE B 387 -4.650 -7.510 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE B 387 -4.986 -7.525 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE B 387 -3.387 -8.725 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE B 387 -1.839 -9.332 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE B 387 -3.353 -10.186 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE B 387 -6.395 -9.136 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE B 387 -5.290 -9.974 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE B 387 -4.949 -9.959 -1.574 1.00 0.00 H new ATOM 1110 N LEU B 388 -0.017 -9.013 -2.132 1.00 0.00 N ATOM 1111 CA LEU B 388 1.257 -9.581 -2.558 1.00 0.00 C ATOM 1112 C LEU B 388 1.684 -10.716 -1.632 1.00 0.00 C ATOM 1113 O LEU B 388 2.074 -11.791 -2.090 1.00 0.00 O ATOM 1114 CB LEU B 388 2.337 -8.498 -2.586 1.00 0.00 C ATOM 1115 CG LEU B 388 2.346 -7.590 -3.816 1.00 0.00 C ATOM 1116 CD1 LEU B 388 3.174 -6.342 -3.554 1.00 0.00 C ATOM 1117 CD2 LEU B 388 2.878 -8.341 -5.029 1.00 0.00 C ATOM 0 H LEU B 388 0.032 -8.034 -1.850 1.00 0.00 H new ATOM 0 HA LEU B 388 1.129 -9.984 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU B 388 2.221 -7.874 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU B 388 3.311 -8.982 -2.510 1.00 0.00 H new ATOM 0 HG LEU B 388 1.321 -7.283 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU B 388 3.168 -5.709 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU B 388 2.749 -5.793 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU B 388 4.199 -6.628 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU B 388 2.877 -7.680 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU B 388 3.895 -8.678 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU B 388 2.243 -9.203 -5.230 1.00 0.00 H new ATOM 1129 N VAL B 389 1.604 -10.471 -0.328 1.00 0.00 N ATOM 1130 CA VAL B 389 1.979 -11.474 0.662 1.00 0.00 C ATOM 1131 C VAL B 389 0.910 -12.555 0.781 1.00 0.00 C ATOM 1132 O VAL B 389 1.220 -13.733 0.960 1.00 0.00 O ATOM 1133 CB VAL B 389 2.207 -10.838 2.046 1.00 0.00 C ATOM 1134 CG1 VAL B 389 2.689 -11.883 3.041 1.00 0.00 C ATOM 1135 CG2 VAL B 389 3.197 -9.688 1.947 1.00 0.00 C ATOM 0 H VAL B 389 1.283 -9.587 0.067 1.00 0.00 H new ATOM 0 HA VAL B 389 2.911 -11.925 0.320 1.00 0.00 H new ATOM 0 HB VAL B 389 1.258 -10.440 2.405 1.00 0.00 H new ATOM 0 HG11 VAL B 389 2.845 -11.415 4.013 1.00 0.00 H new ATOM 0 HG12 VAL B 389 1.941 -12.670 3.133 1.00 0.00 H new ATOM 0 HG13 VAL B 389 3.627 -12.313 2.691 1.00 0.00 H new ATOM 0 HG21 VAL B 389 3.346 -9.250 2.934 1.00 0.00 H new ATOM 0 HG22 VAL B 389 4.149 -10.059 1.567 1.00 0.00 H new ATOM 0 HG23 VAL B 389 2.807 -8.929 1.269 1.00 0.00 H new ATOM 1145 N VAL B 390 -0.351 -12.146 0.680 1.00 0.00 N ATOM 1146 CA VAL B 390 -1.467 -13.079 0.775 1.00 0.00 C ATOM 1147 C VAL B 390 -1.531 -13.986 -0.449 1.00 0.00 C ATOM 1148 O VAL B 390 -1.547 -15.210 -0.327 1.00 0.00 O ATOM 1149 CB VAL B 390 -2.809 -12.337 0.920 1.00 0.00 C ATOM 1150 CG1 VAL B 390 -3.967 -13.246 0.539 1.00 0.00 C ATOM 1151 CG2 VAL B 390 -2.976 -11.813 2.339 1.00 0.00 C ATOM 0 H VAL B 390 -0.625 -11.175 0.532 1.00 0.00 H new ATOM 0 HA VAL B 390 -1.297 -13.685 1.665 1.00 0.00 H new ATOM 0 HB VAL B 390 -2.809 -11.486 0.239 1.00 0.00 H new ATOM 0 HG11 VAL B 390 -4.906 -12.704 0.648 1.00 0.00 H new ATOM 0 HG12 VAL B 390 -3.852 -13.568 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL B 390 -3.974 -14.119 1.192 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -3.929 -11.291 2.424 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -2.955 -12.648 3.040 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.164 -11.124 2.571 1.00 0.00 H new ATOM 1161 N ALA B 391 -1.565 -13.376 -1.629 1.00 0.00 N ATOM 1162 CA ALA B 391 -1.625 -14.128 -2.876 1.00 0.00 C ATOM 1163 C ALA B 391 -0.405 -15.030 -3.032 1.00 0.00 C ATOM 1164 O ALA B 391 -0.525 -16.189 -3.426 1.00 0.00 O ATOM 1165 CB ALA B 391 -1.736 -13.179 -4.060 1.00 0.00 C ATOM 0 H ALA B 391 -1.552 -12.363 -1.747 1.00 0.00 H new ATOM 0 HA ALA B 391 -2.512 -14.761 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA B 391 -1.780 -13.754 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA B 391 -2.641 -12.580 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA B 391 -0.867 -12.522 -4.082 1.00 0.00 H new ATOM 1171 N ALA B 392 0.769 -14.490 -2.719 1.00 0.00 N ATOM 1172 CA ALA B 392 2.010 -15.247 -2.823 1.00 0.00 C ATOM 1173 C ALA B 392 1.951 -16.517 -1.981 1.00 0.00 C ATOM 1174 O ALA B 392 2.249 -17.609 -2.464 1.00 0.00 O ATOM 1175 CB ALA B 392 3.190 -14.385 -2.400 1.00 0.00 C ATOM 0 H ALA B 392 0.886 -13.531 -2.391 1.00 0.00 H new ATOM 0 HA ALA B 392 2.142 -15.540 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA B 392 4.111 -14.963 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA B 392 3.252 -13.510 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA B 392 3.054 -14.064 -1.367 1.00 0.00 H new ATOM 1181 N VAL B 393 1.565 -16.366 -0.718 1.00 0.00 N ATOM 1182 CA VAL B 393 1.466 -17.501 0.192 1.00 0.00 C ATOM 1183 C VAL B 393 0.380 -18.472 -0.257 1.00 0.00 C ATOM 1184 O VAL B 393 0.634 -19.663 -0.441 1.00 0.00 O ATOM 1185 CB VAL B 393 1.166 -17.042 1.631 1.00 0.00 C ATOM 1186 CG1 VAL B 393 0.972 -18.243 2.545 1.00 0.00 C ATOM 1187 CG2 VAL B 393 2.281 -16.144 2.147 1.00 0.00 C ATOM 0 H VAL B 393 1.316 -15.469 -0.302 1.00 0.00 H new ATOM 0 HA VAL B 393 2.431 -18.007 0.174 1.00 0.00 H new ATOM 0 HB VAL B 393 0.240 -16.467 1.625 1.00 0.00 H new ATOM 0 HG11 VAL B 393 0.761 -17.899 3.558 1.00 0.00 H new ATOM 0 HG12 VAL B 393 0.137 -18.844 2.184 1.00 0.00 H new ATOM 0 HG13 VAL B 393 1.879 -18.848 2.549 1.00 0.00 H new ATOM 0 HG21 VAL B 393 2.053 -15.829 3.165 1.00 0.00 H new ATOM 0 HG22 VAL B 393 3.223 -16.693 2.140 1.00 0.00 H new ATOM 0 HG23 VAL B 393 2.367 -15.266 1.506 1.00 0.00 H new ATOM 1197 N THR B 394 -0.832 -17.956 -0.431 1.00 0.00 N ATOM 1198 CA THR B 394 -1.958 -18.777 -0.858 1.00 0.00 C ATOM 1199 C THR B 394 -1.644 -19.508 -2.158 1.00 0.00 C ATOM 1200 O THR B 394 -1.987 -20.680 -2.322 1.00 0.00 O ATOM 1201 CB THR B 394 -3.230 -17.930 -1.053 1.00 0.00 C ATOM 1202 OG1 THR B 394 -3.535 -17.220 0.153 1.00 0.00 O ATOM 1203 CG2 THR B 394 -4.410 -18.806 -1.445 1.00 0.00 C ATOM 0 H THR B 394 -1.059 -16.973 -0.283 1.00 0.00 H new ATOM 0 HA THR B 394 -2.134 -19.506 -0.067 1.00 0.00 H new ATOM 0 HB THR B 394 -3.046 -17.217 -1.857 1.00 0.00 H new ATOM 0 HG1 THR B 394 -2.972 -16.420 0.213 1.00 0.00 H new ATOM 0 HG21 THR B 394 -5.296 -18.185 -1.577 1.00 0.00 H new ATOM 0 HG22 THR B 394 -4.186 -19.322 -2.379 1.00 0.00 H new ATOM 0 HG23 THR B 394 -4.595 -19.540 -0.661 1.00 0.00 H new ATOM 1211 N LEU B 395 -0.991 -18.810 -3.081 1.00 0.00 N ATOM 1212 CA LEU B 395 -0.629 -19.394 -4.368 1.00 0.00 C ATOM 1213 C LEU B 395 0.488 -20.420 -4.206 1.00 0.00 C ATOM 1214 O LEU B 395 0.436 -21.506 -4.786 1.00 0.00 O ATOM 1215 CB LEU B 395 -0.193 -18.299 -5.342 1.00 0.00 C ATOM 1216 CG LEU B 395 -1.309 -17.412 -5.898 1.00 0.00 C ATOM 1217 CD1 LEU B 395 -0.739 -16.103 -6.423 1.00 0.00 C ATOM 1218 CD2 LEU B 395 -2.073 -18.140 -6.993 1.00 0.00 C ATOM 0 H LEU B 395 -0.701 -17.839 -2.962 1.00 0.00 H new ATOM 0 HA LEU B 395 -1.507 -19.900 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU B 395 0.534 -17.661 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU B 395 0.321 -18.770 -6.180 1.00 0.00 H new ATOM 0 HG LEU B 395 -2.003 -17.184 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU B 395 -1.547 -15.485 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU B 395 -0.237 -15.574 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU B 395 -0.023 -16.311 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU B 395 -2.863 -17.494 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU B 395 -1.390 -18.399 -7.803 1.00 0.00 H new ATOM 0 HD23 LEU B 395 -2.514 -19.050 -6.586 1.00 0.00 H new ATOM 1230 N CYS B 396 1.495 -20.070 -3.414 1.00 0.00 N ATOM 1231 CA CYS B 396 2.625 -20.962 -3.174 1.00 0.00 C ATOM 1232 C CYS B 396 2.168 -22.246 -2.490 1.00 0.00 C ATOM 1233 O CYS B 396 2.596 -23.341 -2.855 1.00 0.00 O ATOM 1234 CB CYS B 396 3.681 -20.262 -2.318 1.00 0.00 C ATOM 1235 SG CYS B 396 4.774 -19.161 -3.248 1.00 0.00 S ATOM 0 H CYS B 396 1.553 -19.176 -2.927 1.00 0.00 H new ATOM 0 HA CYS B 396 3.063 -21.221 -4.138 1.00 0.00 H new ATOM 0 HB2 CYS B 396 3.179 -19.686 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS B 396 4.285 -21.017 -1.816 1.00 0.00 H new ATOM 0 HG CYS B 396 4.211 -17.996 -3.374 1.00 0.00 H new ATOM 1241 N ARG B 397 1.298 -22.104 -1.496 1.00 0.00 N ATOM 1242 CA ARG B 397 0.785 -23.252 -0.759 1.00 0.00 C ATOM 1243 C ARG B 397 -0.085 -24.129 -1.654 1.00 0.00 C ATOM 1244 O ARG B 397 -0.270 -25.317 -1.389 1.00 0.00 O ATOM 1245 CB ARG B 397 -0.020 -22.788 0.456 1.00 0.00 C ATOM 1246 CG ARG B 397 0.761 -21.881 1.393 1.00 0.00 C ATOM 1247 CD ARG B 397 1.442 -22.674 2.497 1.00 0.00 C ATOM 1248 NE ARG B 397 1.934 -21.811 3.568 1.00 0.00 N ATOM 1249 CZ ARG B 397 2.772 -22.219 4.515 1.00 0.00 C ATOM 1250 NH1 ARG B 397 3.208 -23.471 4.523 1.00 0.00 N ATOM 1251 NH2 ARG B 397 3.175 -21.375 5.455 1.00 0.00 N ATOM 0 H ARG B 397 0.933 -21.205 -1.182 1.00 0.00 H new ATOM 0 HA ARG B 397 1.636 -23.842 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG B 397 -0.910 -22.261 0.112 1.00 0.00 H new ATOM 0 HB3 ARG B 397 -0.361 -23.662 1.011 1.00 0.00 H new ATOM 0 HG2 ARG B 397 1.510 -21.328 0.826 1.00 0.00 H new ATOM 0 HG3 ARG B 397 0.088 -21.146 1.834 1.00 0.00 H new ATOM 0 HD2 ARG B 397 0.739 -23.398 2.909 1.00 0.00 H new ATOM 0 HD3 ARG B 397 2.273 -23.240 2.077 1.00 0.00 H new ATOM 0 HE ARG B 397 1.617 -20.842 3.590 1.00 0.00 H new ATOM 0 HH11 ARG B 397 2.900 -24.123 3.801 1.00 0.00 H new ATOM 0 HH12 ARG B 397 3.851 -23.782 5.251 1.00 0.00 H new ATOM 0 HH21 ARG B 397 2.842 -20.411 5.452 1.00 0.00 H new ATOM 0 HH22 ARG B 397 3.818 -21.690 6.181 1.00 0.00 H new