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 -101:sc= 0.102 USER MOD Single : A 394 THR OG1 : rot 80:sc= 0.491 USER MOD Single : A 396 CYS SG : rot 86:sc= -0.0129 USER MOD Single : B 378 SER OG : rot 180:sc= 0 USER MOD Single : B 379 TYR OH : rot -100:sc= 0.0734 USER MOD Single : B 394 THR OG1 : rot 80:sc= 0.36 USER MOD Single : B 396 CYS SG : rot 86:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 277 N LEU A 377 -2.514 6.317 -8.824 1.00 0.00 N ATOM 278 CA LEU A 377 -3.644 5.556 -8.301 1.00 0.00 C ATOM 279 C LEU A 377 -3.901 4.313 -9.147 1.00 0.00 C ATOM 280 O LEU A 377 -4.284 3.264 -8.628 1.00 0.00 O ATOM 281 CB LEU A 377 -4.899 6.429 -8.264 1.00 0.00 C ATOM 282 CG LEU A 377 -5.031 7.363 -7.060 1.00 0.00 C ATOM 283 CD1 LEU A 377 -6.148 8.370 -7.286 1.00 0.00 C ATOM 284 CD2 LEU A 377 -5.281 6.563 -5.790 1.00 0.00 C ATOM 0 HA LEU A 377 -3.399 5.239 -7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -4.925 7.032 -9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.772 5.777 -8.290 1.00 0.00 H new ATOM 0 HG LEU A 377 -4.095 7.909 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -6.227 9.026 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -5.928 8.965 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -7.091 7.842 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -5.372 7.243 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.202 5.990 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -4.448 5.881 -5.619 1.00 0.00 H new ATOM 296 N SER A 378 -3.686 4.437 -10.453 1.00 0.00 N ATOM 297 CA SER A 378 -3.896 3.324 -11.372 1.00 0.00 C ATOM 298 C SER A 378 -3.213 2.060 -10.858 1.00 0.00 C ATOM 299 O SER A 378 -3.688 0.947 -11.088 1.00 0.00 O ATOM 300 CB SER A 378 -3.364 3.676 -12.762 1.00 0.00 C ATOM 301 OG SER A 378 -1.967 3.910 -12.730 1.00 0.00 O ATOM 0 H SER A 378 -3.366 5.297 -10.899 1.00 0.00 H new ATOM 0 HA SER A 378 -4.968 3.136 -11.438 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.584 2.864 -13.455 1.00 0.00 H new ATOM 0 HB3 SER A 378 -3.876 4.562 -13.137 1.00 0.00 H new ATOM 0 HG SER A 378 -1.652 4.131 -13.631 1.00 0.00 H new ATOM 307 N TYR A 379 -2.096 2.240 -10.163 1.00 0.00 N ATOM 308 CA TYR A 379 -1.345 1.114 -9.619 1.00 0.00 C ATOM 309 C TYR A 379 -2.127 0.426 -8.504 1.00 0.00 C ATOM 310 O TYR A 379 -2.349 -0.783 -8.542 1.00 0.00 O ATOM 311 CB TYR A 379 0.010 1.587 -9.090 1.00 0.00 C ATOM 312 CG TYR A 379 1.024 0.474 -8.943 1.00 0.00 C ATOM 313 CD1 TYR A 379 1.451 -0.254 -10.047 1.00 0.00 C ATOM 314 CD2 TYR A 379 1.554 0.151 -7.700 1.00 0.00 C ATOM 315 CE1 TYR A 379 2.376 -1.271 -9.917 1.00 0.00 C ATOM 316 CE2 TYR A 379 2.481 -0.864 -7.561 1.00 0.00 C ATOM 317 CZ TYR A 379 2.889 -1.572 -8.673 1.00 0.00 C ATOM 318 OH TYR A 379 3.811 -2.585 -8.539 1.00 0.00 O ATOM 0 H TYR A 379 -1.690 3.154 -9.963 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.184 0.395 -10.422 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.410 2.345 -9.764 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -0.134 2.066 -8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 379 1.053 -0.020 -11.023 1.00 0.00 H new ATOM 0 HD2 TYR A 379 1.236 0.703 -6.828 1.00 0.00 H new ATOM 0 HE1 TYR A 379 2.696 -1.828 -10.785 1.00 0.00 H new ATOM 0 HE2 TYR A 379 2.884 -1.102 -6.588 1.00 0.00 H new ATOM 0 HH TYR A 379 3.367 -3.389 -8.197 1.00 0.00 H new ATOM 328 N GLY A 380 -2.542 1.207 -7.511 1.00 0.00 N ATOM 329 CA GLY A 380 -3.295 0.657 -6.399 1.00 0.00 C ATOM 330 C GLY A 380 -4.683 0.205 -6.807 1.00 0.00 C ATOM 331 O GLY A 380 -5.071 -0.936 -6.556 1.00 0.00 O ATOM 0 H GLY A 380 -2.370 2.211 -7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 380 -2.750 -0.188 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 380 -3.377 1.408 -5.613 1.00 0.00 H new ATOM 335 N VAL A 381 -5.435 1.103 -7.435 1.00 0.00 N ATOM 336 CA VAL A 381 -6.789 0.791 -7.877 1.00 0.00 C ATOM 337 C VAL A 381 -6.780 -0.283 -8.959 1.00 0.00 C ATOM 338 O VAL A 381 -7.464 -1.300 -8.846 1.00 0.00 O ATOM 339 CB VAL A 381 -7.506 2.042 -8.418 1.00 0.00 C ATOM 340 CG1 VAL A 381 -8.998 1.783 -8.562 1.00 0.00 C ATOM 341 CG2 VAL A 381 -7.249 3.236 -7.510 1.00 0.00 C ATOM 0 H VAL A 381 -5.130 2.052 -7.649 1.00 0.00 H new ATOM 0 HA VAL A 381 -7.328 0.421 -7.005 1.00 0.00 H new ATOM 0 HB VAL A 381 -7.105 2.271 -9.405 1.00 0.00 H new ATOM 0 HG11 VAL A 381 -9.487 2.678 -8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 381 -9.159 0.957 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 381 -9.419 1.528 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 381 -7.763 4.112 -7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 381 -7.622 3.019 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 381 -6.178 3.434 -7.463 1.00 0.00 H new ATOM 351 N GLY A 382 -5.999 -0.050 -10.010 1.00 0.00 N ATOM 352 CA GLY A 382 -5.915 -1.007 -11.098 1.00 0.00 C ATOM 353 C GLY A 382 -5.603 -2.409 -10.614 1.00 0.00 C ATOM 354 O GLY A 382 -6.242 -3.375 -11.034 1.00 0.00 O ATOM 0 H GLY A 382 -5.423 0.784 -10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -6.859 -1.016 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.144 -0.688 -11.800 1.00 0.00 H new ATOM 358 N PHE A 383 -4.618 -2.523 -9.730 1.00 0.00 N ATOM 359 CA PHE A 383 -4.221 -3.818 -9.191 1.00 0.00 C ATOM 360 C PHE A 383 -5.333 -4.415 -8.333 1.00 0.00 C ATOM 361 O PHE A 383 -5.504 -5.633 -8.277 1.00 0.00 O ATOM 362 CB PHE A 383 -2.942 -3.679 -8.362 1.00 0.00 C ATOM 363 CG PHE A 383 -2.291 -4.993 -8.039 1.00 0.00 C ATOM 364 CD1 PHE A 383 -1.922 -5.866 -9.050 1.00 0.00 C ATOM 365 CD2 PHE A 383 -2.048 -5.356 -6.724 1.00 0.00 C ATOM 366 CE1 PHE A 383 -1.322 -7.076 -8.756 1.00 0.00 C ATOM 367 CE2 PHE A 383 -1.448 -6.565 -6.424 1.00 0.00 C ATOM 368 CZ PHE A 383 -1.086 -7.427 -7.442 1.00 0.00 C ATOM 0 H PHE A 383 -4.080 -1.734 -9.372 1.00 0.00 H new ATOM 0 HA PHE A 383 -4.032 -4.489 -10.029 1.00 0.00 H new ATOM 0 HB2 PHE A 383 -2.232 -3.055 -8.905 1.00 0.00 H new ATOM 0 HB3 PHE A 383 -3.176 -3.160 -7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 383 -2.105 -5.598 -10.080 1.00 0.00 H new ATOM 0 HD2 PHE A 383 -2.330 -4.687 -5.924 1.00 0.00 H new ATOM 0 HE1 PHE A 383 -1.038 -7.746 -9.554 1.00 0.00 H new ATOM 0 HE2 PHE A 383 -1.262 -6.836 -5.395 1.00 0.00 H new ATOM 0 HZ PHE A 383 -0.620 -8.373 -7.210 1.00 0.00 H new ATOM 378 N PHE A 384 -6.087 -3.548 -7.666 1.00 0.00 N ATOM 379 CA PHE A 384 -7.183 -3.987 -6.810 1.00 0.00 C ATOM 380 C PHE A 384 -8.236 -4.739 -7.618 1.00 0.00 C ATOM 381 O PHE A 384 -8.634 -5.849 -7.261 1.00 0.00 O ATOM 382 CB PHE A 384 -7.822 -2.788 -6.107 1.00 0.00 C ATOM 383 CG PHE A 384 -8.424 -3.126 -4.773 1.00 0.00 C ATOM 384 CD1 PHE A 384 -9.326 -4.170 -4.650 1.00 0.00 C ATOM 385 CD2 PHE A 384 -8.086 -2.399 -3.643 1.00 0.00 C ATOM 386 CE1 PHE A 384 -9.881 -4.482 -3.423 1.00 0.00 C ATOM 387 CE2 PHE A 384 -8.638 -2.707 -2.413 1.00 0.00 C ATOM 388 CZ PHE A 384 -9.536 -3.750 -2.303 1.00 0.00 C ATOM 0 H PHE A 384 -5.959 -2.537 -7.702 1.00 0.00 H new ATOM 0 HA PHE A 384 -6.776 -4.664 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 384 -7.068 -2.013 -5.970 1.00 0.00 H new ATOM 0 HB3 PHE A 384 -8.596 -2.370 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 384 -9.599 -4.746 -5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 384 -7.384 -1.583 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 384 -10.584 -5.298 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 384 -8.367 -2.132 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 384 -9.968 -3.993 -1.343 1.00 0.00 H new ATOM 398 N LEU A 385 -8.685 -4.126 -8.708 1.00 0.00 N ATOM 399 CA LEU A 385 -9.694 -4.736 -9.568 1.00 0.00 C ATOM 400 C LEU A 385 -9.164 -6.016 -10.206 1.00 0.00 C ATOM 401 O LEU A 385 -9.821 -7.057 -10.174 1.00 0.00 O ATOM 402 CB LEU A 385 -10.127 -3.752 -10.655 1.00 0.00 C ATOM 403 CG LEU A 385 -10.301 -2.298 -10.215 1.00 0.00 C ATOM 404 CD1 LEU A 385 -11.000 -1.492 -11.299 1.00 0.00 C ATOM 405 CD2 LEU A 385 -11.079 -2.226 -8.909 1.00 0.00 C ATOM 0 H LEU A 385 -8.367 -3.208 -9.017 1.00 0.00 H new ATOM 0 HA LEU A 385 -10.556 -4.990 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -9.390 -3.782 -11.458 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -11.071 -4.099 -11.075 1.00 0.00 H new ATOM 0 HG LEU A 385 -9.313 -1.867 -10.051 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -11.115 -0.460 -10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -10.404 -1.516 -12.212 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -11.982 -1.922 -11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -11.193 -1.184 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -12.063 -2.674 -9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -10.538 -2.768 -8.133 1.00 0.00 H new ATOM 417 N PHE A 386 -7.970 -5.933 -10.783 1.00 0.00 N ATOM 418 CA PHE A 386 -7.350 -7.085 -11.427 1.00 0.00 C ATOM 419 C PHE A 386 -7.113 -8.208 -10.422 1.00 0.00 C ATOM 420 O PHE A 386 -7.241 -9.388 -10.752 1.00 0.00 O ATOM 421 CB PHE A 386 -6.026 -6.681 -12.078 1.00 0.00 C ATOM 422 CG PHE A 386 -5.682 -7.495 -13.293 1.00 0.00 C ATOM 423 CD1 PHE A 386 -5.147 -8.766 -13.162 1.00 0.00 C ATOM 424 CD2 PHE A 386 -5.893 -6.988 -14.565 1.00 0.00 C ATOM 425 CE1 PHE A 386 -4.830 -9.518 -14.278 1.00 0.00 C ATOM 426 CE2 PHE A 386 -5.578 -7.735 -15.684 1.00 0.00 C ATOM 427 CZ PHE A 386 -5.045 -9.001 -15.540 1.00 0.00 C ATOM 0 H PHE A 386 -7.412 -5.080 -10.818 1.00 0.00 H new ATOM 0 HA PHE A 386 -8.030 -7.448 -12.198 1.00 0.00 H new ATOM 0 HB2 PHE A 386 -6.074 -5.629 -12.357 1.00 0.00 H new ATOM 0 HB3 PHE A 386 -5.225 -6.780 -11.345 1.00 0.00 H new ATOM 0 HD1 PHE A 386 -4.976 -9.174 -12.177 1.00 0.00 H new ATOM 0 HD2 PHE A 386 -6.308 -5.998 -14.683 1.00 0.00 H new ATOM 0 HE1 PHE A 386 -4.415 -10.508 -14.163 1.00 0.00 H new ATOM 0 HE2 PHE A 386 -5.748 -7.329 -16.670 1.00 0.00 H new ATOM 0 HZ PHE A 386 -4.797 -9.586 -16.413 1.00 0.00 H new ATOM 437 N ILE A 387 -6.767 -7.833 -9.195 1.00 0.00 N ATOM 438 CA ILE A 387 -6.513 -8.808 -8.142 1.00 0.00 C ATOM 439 C ILE A 387 -7.812 -9.440 -7.653 1.00 0.00 C ATOM 440 O ILE A 387 -7.847 -10.619 -7.297 1.00 0.00 O ATOM 441 CB ILE A 387 -5.785 -8.168 -6.946 1.00 0.00 C ATOM 442 CG1 ILE A 387 -4.290 -8.035 -7.242 1.00 0.00 C ATOM 443 CG2 ILE A 387 -6.010 -8.991 -5.686 1.00 0.00 C ATOM 444 CD1 ILE A 387 -3.582 -9.365 -7.386 1.00 0.00 C ATOM 0 H ILE A 387 -6.656 -6.861 -8.906 1.00 0.00 H new ATOM 0 HA ILE A 387 -5.876 -9.580 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 387 -6.194 -7.171 -6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 387 -4.159 -7.462 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 387 -3.818 -7.466 -6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 387 -5.489 -8.525 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 387 -7.077 -9.038 -5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 387 -5.626 -10.000 -5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 387 -2.526 -9.194 -7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 387 -3.682 -9.932 -6.461 1.00 0.00 H new ATOM 0 HD13 ILE A 387 -4.028 -9.928 -8.206 1.00 0.00 H new ATOM 456 N LEU A 388 -8.880 -8.650 -7.639 1.00 0.00 N ATOM 457 CA LEU A 388 -10.183 -9.132 -7.195 1.00 0.00 C ATOM 458 C LEU A 388 -10.691 -10.244 -8.107 1.00 0.00 C ATOM 459 O LEU A 388 -11.150 -11.285 -7.637 1.00 0.00 O ATOM 460 CB LEU A 388 -11.191 -7.981 -7.164 1.00 0.00 C ATOM 461 CG LEU A 388 -11.126 -7.065 -5.942 1.00 0.00 C ATOM 462 CD1 LEU A 388 -11.908 -5.785 -6.193 1.00 0.00 C ATOM 463 CD2 LEU A 388 -11.655 -7.782 -4.709 1.00 0.00 C ATOM 0 H LEU A 388 -8.869 -7.672 -7.930 1.00 0.00 H new ATOM 0 HA LEU A 388 -10.071 -9.535 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 388 -11.046 -7.373 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 388 -12.195 -8.402 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 388 -10.083 -6.801 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 388 -11.851 -5.145 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 388 -11.484 -5.262 -7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 388 -12.951 -6.030 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 388 -11.601 -7.115 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 388 -12.691 -8.076 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 388 -11.052 -8.670 -4.518 1.00 0.00 H new ATOM 475 N VAL A 389 -10.604 -10.017 -9.413 1.00 0.00 N ATOM 476 CA VAL A 389 -11.052 -11.001 -10.392 1.00 0.00 C ATOM 477 C VAL A 389 -10.059 -12.153 -10.507 1.00 0.00 C ATOM 478 O VAL A 389 -10.449 -13.309 -10.670 1.00 0.00 O ATOM 479 CB VAL A 389 -11.246 -10.364 -11.780 1.00 0.00 C ATOM 480 CG1 VAL A 389 -11.806 -11.383 -12.762 1.00 0.00 C ATOM 481 CG2 VAL A 389 -12.155 -9.148 -11.685 1.00 0.00 C ATOM 0 H VAL A 389 -10.227 -9.160 -9.818 1.00 0.00 H new ATOM 0 HA VAL A 389 -12.010 -11.384 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 389 -10.274 -10.035 -12.149 1.00 0.00 H new ATOM 0 HG11 VAL A 389 -11.936 -10.915 -13.738 1.00 0.00 H new ATOM 0 HG12 VAL A 389 -11.114 -12.221 -12.851 1.00 0.00 H new ATOM 0 HG13 VAL A 389 -12.769 -11.745 -12.402 1.00 0.00 H new ATOM 0 HG21 VAL A 389 -12.281 -8.710 -12.675 1.00 0.00 H new ATOM 0 HG22 VAL A 389 -13.127 -9.450 -11.295 1.00 0.00 H new ATOM 0 HG23 VAL A 389 -11.709 -8.412 -11.017 1.00 0.00 H new ATOM 491 N VAL A 390 -8.773 -11.828 -10.421 1.00 0.00 N ATOM 492 CA VAL A 390 -7.722 -12.835 -10.515 1.00 0.00 C ATOM 493 C VAL A 390 -7.708 -13.730 -9.281 1.00 0.00 C ATOM 494 O VAL A 390 -7.773 -14.955 -9.388 1.00 0.00 O ATOM 495 CB VAL A 390 -6.336 -12.186 -10.681 1.00 0.00 C ATOM 496 CG1 VAL A 390 -5.237 -13.169 -10.302 1.00 0.00 C ATOM 497 CG2 VAL A 390 -6.148 -11.688 -12.106 1.00 0.00 C ATOM 0 H VAL A 390 -8.434 -10.876 -10.286 1.00 0.00 H new ATOM 0 HA VAL A 390 -7.939 -13.439 -11.396 1.00 0.00 H new ATOM 0 HB VAL A 390 -6.272 -11.330 -10.010 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.264 -12.693 -10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.363 -13.473 -9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.296 -14.046 -10.946 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.163 -11.232 -12.205 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -6.232 -12.526 -12.798 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -6.915 -10.949 -12.337 1.00 0.00 H new ATOM 507 N ALA A 391 -7.623 -13.111 -8.108 1.00 0.00 N ATOM 508 CA ALA A 391 -7.603 -13.851 -6.852 1.00 0.00 C ATOM 509 C ALA A 391 -8.878 -14.668 -6.676 1.00 0.00 C ATOM 510 O ALA A 391 -8.832 -15.828 -6.267 1.00 0.00 O ATOM 511 CB ALA A 391 -7.418 -12.898 -5.681 1.00 0.00 C ATOM 0 H ALA A 391 -7.567 -12.098 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.761 -14.543 -6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -7.405 -13.464 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -6.475 -12.362 -5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.241 -12.184 -5.660 1.00 0.00 H new ATOM 517 N ALA A 392 -10.016 -14.055 -6.988 1.00 0.00 N ATOM 518 CA ALA A 392 -11.303 -14.727 -6.865 1.00 0.00 C ATOM 519 C ALA A 392 -11.336 -16.008 -7.692 1.00 0.00 C ATOM 520 O ALA A 392 -11.699 -17.073 -7.193 1.00 0.00 O ATOM 521 CB ALA A 392 -12.428 -13.794 -7.289 1.00 0.00 C ATOM 0 H ALA A 392 -10.072 -13.095 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 392 -11.444 -14.998 -5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 392 -13.384 -14.309 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 392 -12.426 -12.909 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 392 -12.281 -13.495 -8.327 1.00 0.00 H new ATOM 527 N VAL A 393 -10.954 -15.897 -8.961 1.00 0.00 N ATOM 528 CA VAL A 393 -10.939 -17.046 -9.858 1.00 0.00 C ATOM 529 C VAL A 393 -9.917 -18.083 -9.406 1.00 0.00 C ATOM 530 O VAL A 393 -10.247 -19.253 -9.208 1.00 0.00 O ATOM 531 CB VAL A 393 -10.621 -16.625 -11.305 1.00 0.00 C ATOM 532 CG1 VAL A 393 -10.516 -17.846 -12.206 1.00 0.00 C ATOM 533 CG2 VAL A 393 -11.677 -15.660 -11.822 1.00 0.00 C ATOM 0 H VAL A 393 -10.651 -15.023 -9.390 1.00 0.00 H new ATOM 0 HA VAL A 393 -11.936 -17.485 -9.826 1.00 0.00 H new ATOM 0 HB VAL A 393 -9.658 -16.114 -11.313 1.00 0.00 H new ATOM 0 HG11 VAL A 393 -10.291 -17.529 -13.224 1.00 0.00 H new ATOM 0 HG12 VAL A 393 -9.720 -18.497 -11.845 1.00 0.00 H new ATOM 0 HG13 VAL A 393 -11.462 -18.388 -12.196 1.00 0.00 H new ATOM 0 HG21 VAL A 393 -11.437 -15.372 -12.846 1.00 0.00 H new ATOM 0 HG22 VAL A 393 -12.654 -16.144 -11.800 1.00 0.00 H new ATOM 0 HG23 VAL A 393 -11.698 -14.771 -11.191 1.00 0.00 H new ATOM 543 N THR A 394 -8.672 -17.646 -9.243 1.00 0.00 N ATOM 544 CA THR A 394 -7.599 -18.536 -8.814 1.00 0.00 C ATOM 545 C THR A 394 -7.951 -19.229 -7.503 1.00 0.00 C ATOM 546 O THR A 394 -7.688 -20.420 -7.328 1.00 0.00 O ATOM 547 CB THR A 394 -6.273 -17.773 -8.639 1.00 0.00 C ATOM 548 OG1 THR A 394 -5.900 -17.148 -9.872 1.00 0.00 O ATOM 549 CG2 THR A 394 -5.165 -18.711 -8.185 1.00 0.00 C ATOM 0 H THR A 394 -8.382 -16.681 -9.402 1.00 0.00 H new ATOM 0 HA THR A 394 -7.478 -19.285 -9.596 1.00 0.00 H new ATOM 0 HB THR A 394 -6.417 -17.009 -7.875 1.00 0.00 H new ATOM 0 HG1 THR A 394 -6.412 -16.320 -9.987 1.00 0.00 H new ATOM 0 HG21 THR A 394 -4.238 -18.150 -8.068 1.00 0.00 H new ATOM 0 HG22 THR A 394 -5.438 -19.162 -7.231 1.00 0.00 H new ATOM 0 HG23 THR A 394 -5.023 -19.494 -8.930 1.00 0.00 H new ATOM 557 N LEU A 395 -8.548 -18.478 -6.584 1.00 0.00 N ATOM 558 CA LEU A 395 -8.937 -19.022 -5.287 1.00 0.00 C ATOM 559 C LEU A 395 -10.119 -19.976 -5.429 1.00 0.00 C ATOM 560 O LEU A 395 -10.135 -21.052 -4.831 1.00 0.00 O ATOM 561 CB LEU A 395 -9.295 -17.888 -4.324 1.00 0.00 C ATOM 562 CG LEU A 395 -8.121 -17.071 -3.783 1.00 0.00 C ATOM 563 CD1 LEU A 395 -8.601 -15.723 -3.270 1.00 0.00 C ATOM 564 CD2 LEU A 395 -7.401 -17.837 -2.683 1.00 0.00 C ATOM 0 H LEU A 395 -8.773 -17.492 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 395 -8.091 -19.579 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 395 -9.980 -17.210 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 395 -9.836 -18.313 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 395 -7.418 -16.897 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 395 -7.752 -15.155 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 395 -9.071 -15.170 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 395 -9.325 -15.875 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 395 -6.568 -17.241 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 395 -8.095 -18.042 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 395 -7.023 -18.778 -3.082 1.00 0.00 H new ATOM 576 N CYS A 396 -11.104 -19.575 -6.225 1.00 0.00 N ATOM 577 CA CYS A 396 -12.289 -20.396 -6.447 1.00 0.00 C ATOM 578 C CYS A 396 -11.920 -21.714 -7.119 1.00 0.00 C ATOM 579 O CYS A 396 -12.408 -22.777 -6.734 1.00 0.00 O ATOM 580 CB CYS A 396 -13.305 -19.640 -7.304 1.00 0.00 C ATOM 581 SG CYS A 396 -14.315 -18.457 -6.382 1.00 0.00 S ATOM 0 H CYS A 396 -11.106 -18.687 -6.727 1.00 0.00 H new ATOM 0 HA CYS A 396 -12.735 -20.616 -5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 396 -12.774 -19.109 -8.094 1.00 0.00 H new ATOM 0 HB3 CYS A 396 -13.962 -20.361 -7.790 1.00 0.00 H new ATOM 0 HG CYS A 396 -13.683 -17.324 -6.292 1.00 0.00 H new ATOM 587 N ARG A 397 -11.056 -21.638 -8.126 1.00 0.00 N ATOM 588 CA ARG A 397 -10.623 -22.825 -8.854 1.00 0.00 C ATOM 589 C ARG A 397 -9.795 -23.741 -7.957 1.00 0.00 C ATOM 590 O ARG A 397 -9.669 -24.937 -8.221 1.00 0.00 O ATOM 591 CB ARG A 397 -9.808 -22.425 -10.085 1.00 0.00 C ATOM 592 CG ARG A 397 -10.541 -21.477 -11.019 1.00 0.00 C ATOM 593 CD ARG A 397 -11.283 -22.233 -12.110 1.00 0.00 C ATOM 594 NE ARG A 397 -11.711 -21.351 -13.193 1.00 0.00 N ATOM 595 CZ ARG A 397 -12.441 -21.757 -14.226 1.00 0.00 C ATOM 596 NH1 ARG A 397 -12.823 -23.023 -14.315 1.00 0.00 N ATOM 597 NH2 ARG A 397 -12.792 -20.894 -15.172 1.00 0.00 N ATOM 0 H ARG A 397 -10.642 -20.766 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 397 -11.512 -23.368 -9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 397 -8.880 -21.955 -9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 397 -9.533 -23.324 -10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 397 -11.247 -20.875 -10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 397 -9.829 -20.788 -11.472 1.00 0.00 H new ATOM 0 HD2 ARG A 397 -10.638 -23.014 -12.512 1.00 0.00 H new ATOM 0 HD3 ARG A 397 -12.154 -22.728 -11.680 1.00 0.00 H new ATOM 0 HE ARG A 397 -11.434 -20.370 -13.154 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -12.557 -23.688 -13.589 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -13.383 -23.332 -15.109 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -12.501 -19.919 -15.106 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -13.352 -21.206 -15.965 1.00 0.00 H new ATOM 912 N ILE B 376 -7.025 7.950 0.264 1.00 0.00 N ATOM 913 CA ILE B 376 -7.631 7.050 -0.709 1.00 0.00 C ATOM 914 C ILE B 376 -6.605 6.065 -1.259 1.00 0.00 C ATOM 915 O ILE B 376 -6.953 4.962 -1.683 1.00 0.00 O ATOM 916 CB ILE B 376 -8.260 7.827 -1.880 1.00 0.00 C ATOM 917 CG1 ILE B 376 -8.959 9.088 -1.367 1.00 0.00 C ATOM 918 CG2 ILE B 376 -9.239 6.943 -2.638 1.00 0.00 C ATOM 919 CD1 ILE B 376 -9.715 9.838 -2.441 1.00 0.00 C ATOM 0 HA ILE B 376 -8.415 6.501 -0.186 1.00 0.00 H new ATOM 0 HB ILE B 376 -7.467 8.127 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE B 376 -9.651 8.812 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE B 376 -8.216 9.752 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE B 376 -9.675 7.507 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE B 376 -8.714 6.073 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE B 376 -10.030 6.615 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE B 376 -10.185 10.720 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE B 376 -9.024 10.145 -3.226 1.00 0.00 H new ATOM 0 HD13 ILE B 376 -10.482 9.190 -2.866 1.00 0.00 H new ATOM 931 N LEU B 377 -5.340 6.469 -1.249 1.00 0.00 N ATOM 932 CA LEU B 377 -4.262 5.621 -1.745 1.00 0.00 C ATOM 933 C LEU B 377 -4.095 4.383 -0.870 1.00 0.00 C ATOM 934 O LEU B 377 -3.785 3.299 -1.363 1.00 0.00 O ATOM 935 CB LEU B 377 -2.950 6.406 -1.793 1.00 0.00 C ATOM 936 CG LEU B 377 -2.747 7.302 -3.016 1.00 0.00 C ATOM 937 CD1 LEU B 377 -1.594 8.266 -2.786 1.00 0.00 C ATOM 938 CD2 LEU B 377 -2.501 6.459 -4.259 1.00 0.00 C ATOM 0 H LEU B 377 -5.035 7.379 -0.903 1.00 0.00 H new ATOM 0 HA LEU B 377 -4.523 5.298 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU B 377 -2.888 7.026 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU B 377 -2.124 5.697 -1.746 1.00 0.00 H new ATOM 0 HG LEU B 377 -3.655 7.885 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU B 377 -1.465 8.895 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU B 377 -1.811 8.893 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU B 377 -0.679 7.702 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU B 377 -2.359 7.113 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU B 377 -1.609 5.850 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU B 377 -3.359 5.810 -4.434 1.00 0.00 H new ATOM 950 N SER B 378 -4.306 4.552 0.431 1.00 0.00 N ATOM 951 CA SER B 378 -4.178 3.449 1.376 1.00 0.00 C ATOM 952 C SER B 378 -4.943 2.223 0.887 1.00 0.00 C ATOM 953 O SER B 378 -4.545 1.086 1.142 1.00 0.00 O ATOM 954 CB SER B 378 -4.691 3.868 2.755 1.00 0.00 C ATOM 955 OG SER B 378 -6.079 4.152 2.718 1.00 0.00 O ATOM 0 H SER B 378 -4.566 5.442 0.855 1.00 0.00 H new ATOM 0 HA SER B 378 -3.122 3.190 1.453 1.00 0.00 H new ATOM 0 HB2 SER B 378 -4.498 3.073 3.475 1.00 0.00 H new ATOM 0 HB3 SER B 378 -4.146 4.747 3.098 1.00 0.00 H new ATOM 0 HG SER B 378 -6.383 4.416 3.612 1.00 0.00 H new ATOM 961 N TYR B 379 -6.044 2.463 0.184 1.00 0.00 N ATOM 962 CA TYR B 379 -6.868 1.380 -0.340 1.00 0.00 C ATOM 963 C TYR B 379 -6.134 0.619 -1.439 1.00 0.00 C ATOM 964 O TYR B 379 -5.993 -0.602 -1.377 1.00 0.00 O ATOM 965 CB TYR B 379 -8.189 1.931 -0.880 1.00 0.00 C ATOM 966 CG TYR B 379 -9.277 0.889 -0.999 1.00 0.00 C ATOM 967 CD1 TYR B 379 -9.751 0.221 0.123 1.00 0.00 C ATOM 968 CD2 TYR B 379 -9.832 0.572 -2.233 1.00 0.00 C ATOM 969 CE1 TYR B 379 -10.745 -0.733 0.020 1.00 0.00 C ATOM 970 CE2 TYR B 379 -10.827 -0.379 -2.346 1.00 0.00 C ATOM 971 CZ TYR B 379 -11.280 -1.030 -1.217 1.00 0.00 C ATOM 972 OH TYR B 379 -12.271 -1.978 -1.324 1.00 0.00 O ATOM 0 H TYR B 379 -6.387 3.398 -0.036 1.00 0.00 H new ATOM 0 HA TYR B 379 -7.077 0.689 0.477 1.00 0.00 H new ATOM 0 HB2 TYR B 379 -8.534 2.731 -0.225 1.00 0.00 H new ATOM 0 HB3 TYR B 379 -8.014 2.375 -1.860 1.00 0.00 H new ATOM 0 HD1 TYR B 379 -9.335 0.451 1.093 1.00 0.00 H new ATOM 0 HD2 TYR B 379 -9.479 1.078 -3.119 1.00 0.00 H new ATOM 0 HE1 TYR B 379 -11.101 -1.243 0.903 1.00 0.00 H new ATOM 0 HE2 TYR B 379 -11.248 -0.612 -3.313 1.00 0.00 H new ATOM 0 HH TYR B 379 -11.881 -2.827 -1.621 1.00 0.00 H new ATOM 982 N GLY B 380 -5.665 1.351 -2.445 1.00 0.00 N ATOM 983 CA GLY B 380 -4.950 0.729 -3.544 1.00 0.00 C ATOM 984 C GLY B 380 -3.597 0.192 -3.125 1.00 0.00 C ATOM 985 O GLY B 380 -3.287 -0.978 -3.352 1.00 0.00 O ATOM 0 H GLY B 380 -5.767 2.363 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY B 380 -5.551 -0.085 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY B 380 -4.817 1.457 -4.345 1.00 0.00 H new ATOM 989 N VAL B 381 -2.785 1.048 -2.512 1.00 0.00 N ATOM 990 CA VAL B 381 -1.457 0.653 -2.060 1.00 0.00 C ATOM 991 C VAL B 381 -1.541 -0.397 -0.958 1.00 0.00 C ATOM 992 O VAL B 381 -0.926 -1.459 -1.049 1.00 0.00 O ATOM 993 CB VAL B 381 -0.657 1.863 -1.542 1.00 0.00 C ATOM 994 CG1 VAL B 381 0.815 1.507 -1.396 1.00 0.00 C ATOM 995 CG2 VAL B 381 -0.837 3.056 -2.468 1.00 0.00 C ATOM 0 H VAL B 381 -3.025 2.020 -2.317 1.00 0.00 H new ATOM 0 HA VAL B 381 -0.942 0.229 -2.922 1.00 0.00 H new ATOM 0 HB VAL B 381 -1.039 2.135 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL B 381 1.364 2.374 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL B 381 0.922 0.684 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL B 381 1.215 1.208 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL B 381 -0.265 3.902 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL B 381 -0.483 2.799 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL B 381 -1.893 3.324 -2.516 1.00 0.00 H new ATOM 1005 N GLY B 382 -2.308 -0.093 0.085 1.00 0.00 N ATOM 1006 CA GLY B 382 -2.459 -1.020 1.190 1.00 0.00 C ATOM 1007 C GLY B 382 -2.863 -2.408 0.732 1.00 0.00 C ATOM 1008 O GLY B 382 -2.294 -3.406 1.173 1.00 0.00 O ATOM 0 H GLY B 382 -2.827 0.779 0.184 1.00 0.00 H new ATOM 0 HA2 GLY B 382 -1.520 -1.081 1.740 1.00 0.00 H new ATOM 0 HA3 GLY B 382 -3.209 -0.637 1.882 1.00 0.00 H new ATOM 1012 N PHE B 383 -3.851 -2.472 -0.155 1.00 0.00 N ATOM 1013 CA PHE B 383 -4.333 -3.747 -0.671 1.00 0.00 C ATOM 1014 C PHE B 383 -3.262 -4.433 -1.515 1.00 0.00 C ATOM 1015 O PHE B 383 -3.174 -5.660 -1.549 1.00 0.00 O ATOM 1016 CB PHE B 383 -5.599 -3.538 -1.505 1.00 0.00 C ATOM 1017 CG PHE B 383 -6.330 -4.813 -1.815 1.00 0.00 C ATOM 1018 CD1 PHE B 383 -6.745 -5.654 -0.795 1.00 0.00 C ATOM 1019 CD2 PHE B 383 -6.602 -5.170 -3.126 1.00 0.00 C ATOM 1020 CE1 PHE B 383 -7.419 -6.828 -1.077 1.00 0.00 C ATOM 1021 CE2 PHE B 383 -7.275 -6.343 -3.413 1.00 0.00 C ATOM 1022 CZ PHE B 383 -7.683 -7.173 -2.388 1.00 0.00 C ATOM 0 H PHE B 383 -4.333 -1.655 -0.531 1.00 0.00 H new ATOM 0 HA PHE B 383 -4.567 -4.389 0.178 1.00 0.00 H new ATOM 0 HB2 PHE B 383 -6.269 -2.865 -0.971 1.00 0.00 H new ATOM 0 HB3 PHE B 383 -5.331 -3.045 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE B 383 -6.540 -5.390 0.232 1.00 0.00 H new ATOM 0 HD2 PHE B 383 -6.285 -4.525 -3.932 1.00 0.00 H new ATOM 0 HE1 PHE B 383 -7.739 -7.474 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE B 383 -7.482 -6.610 -4.439 1.00 0.00 H new ATOM 0 HZ PHE B 383 -8.208 -8.090 -2.611 1.00 0.00 H new ATOM 1032 N PHE B 384 -2.449 -3.630 -2.194 1.00 0.00 N ATOM 1033 CA PHE B 384 -1.385 -4.158 -3.039 1.00 0.00 C ATOM 1034 C PHE B 384 -0.385 -4.964 -2.215 1.00 0.00 C ATOM 1035 O PHE B 384 -0.064 -6.105 -2.549 1.00 0.00 O ATOM 1036 CB PHE B 384 -0.665 -3.017 -3.762 1.00 0.00 C ATOM 1037 CG PHE B 384 -0.084 -3.419 -5.087 1.00 0.00 C ATOM 1038 CD1 PHE B 384 0.746 -4.524 -5.188 1.00 0.00 C ATOM 1039 CD2 PHE B 384 -0.368 -2.693 -6.232 1.00 0.00 C ATOM 1040 CE1 PHE B 384 1.283 -4.896 -6.406 1.00 0.00 C ATOM 1041 CE2 PHE B 384 0.165 -3.060 -7.454 1.00 0.00 C ATOM 1042 CZ PHE B 384 0.991 -4.164 -7.541 1.00 0.00 C ATOM 0 H PHE B 384 -2.507 -2.612 -2.175 1.00 0.00 H new ATOM 0 HA PHE B 384 -1.837 -4.820 -3.778 1.00 0.00 H new ATOM 0 HB2 PHE B 384 -1.365 -2.196 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE B 384 0.134 -2.640 -3.123 1.00 0.00 H new ATOM 0 HD1 PHE B 384 0.976 -5.101 -4.305 1.00 0.00 H new ATOM 0 HD2 PHE B 384 -1.014 -1.830 -6.170 1.00 0.00 H new ATOM 0 HE1 PHE B 384 1.930 -5.758 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE B 384 -0.064 -2.485 -8.339 1.00 0.00 H new ATOM 0 HZ PHE B 384 1.408 -4.454 -8.494 1.00 0.00 H new ATOM 1052 N LEU B 385 0.105 -4.362 -1.137 1.00 0.00 N ATOM 1053 CA LEU B 385 1.069 -5.022 -0.264 1.00 0.00 C ATOM 1054 C LEU B 385 0.456 -6.256 0.389 1.00 0.00 C ATOM 1055 O LEU B 385 1.046 -7.337 0.374 1.00 0.00 O ATOM 1056 CB LEU B 385 1.560 -4.051 0.813 1.00 0.00 C ATOM 1057 CG LEU B 385 1.837 -2.621 0.351 1.00 0.00 C ATOM 1058 CD1 LEU B 385 2.581 -1.847 1.428 1.00 0.00 C ATOM 1059 CD2 LEU B 385 2.629 -2.624 -0.949 1.00 0.00 C ATOM 0 H LEU B 385 -0.149 -3.418 -0.847 1.00 0.00 H new ATOM 0 HA LEU B 385 1.916 -5.339 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU B 385 0.816 -4.017 1.609 1.00 0.00 H new ATOM 0 HB3 LEU B 385 2.474 -4.454 1.248 1.00 0.00 H new ATOM 0 HG LEU B 385 0.882 -2.127 0.171 1.00 0.00 H new ATOM 0 HD11 LEU B 385 2.770 -0.831 1.081 1.00 0.00 H new ATOM 0 HD12 LEU B 385 1.978 -1.815 2.335 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.530 -2.340 1.640 1.00 0.00 H new ATOM 0 HD21 LEU B 385 2.817 -1.597 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU B 385 3.579 -3.136 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU B 385 2.059 -3.141 -1.721 1.00 0.00 H new ATOM 1071 N PHE B 386 -0.731 -6.089 0.961 1.00 0.00 N ATOM 1072 CA PHE B 386 -1.425 -7.190 1.619 1.00 0.00 C ATOM 1073 C PHE B 386 -1.734 -8.308 0.627 1.00 0.00 C ATOM 1074 O PHE B 386 -1.685 -9.489 0.973 1.00 0.00 O ATOM 1075 CB PHE B 386 -2.721 -6.692 2.263 1.00 0.00 C ATOM 1076 CG PHE B 386 -3.119 -7.468 3.486 1.00 0.00 C ATOM 1077 CD1 PHE B 386 -3.742 -8.700 3.369 1.00 0.00 C ATOM 1078 CD2 PHE B 386 -2.869 -6.965 4.753 1.00 0.00 C ATOM 1079 CE1 PHE B 386 -4.109 -9.415 4.493 1.00 0.00 C ATOM 1080 CE2 PHE B 386 -3.234 -7.676 5.881 1.00 0.00 C ATOM 1081 CZ PHE B 386 -3.854 -8.904 5.750 1.00 0.00 C ATOM 0 H PHE B 386 -1.233 -5.201 0.982 1.00 0.00 H new ATOM 0 HA PHE B 386 -0.771 -7.587 2.395 1.00 0.00 H new ATOM 0 HB2 PHE B 386 -2.604 -5.642 2.531 1.00 0.00 H new ATOM 0 HB3 PHE B 386 -3.526 -6.746 1.530 1.00 0.00 H new ATOM 0 HD1 PHE B 386 -3.943 -9.106 2.389 1.00 0.00 H new ATOM 0 HD2 PHE B 386 -2.383 -6.006 4.860 1.00 0.00 H new ATOM 0 HE1 PHE B 386 -4.595 -10.374 4.388 1.00 0.00 H new ATOM 0 HE2 PHE B 386 -3.035 -7.272 6.863 1.00 0.00 H new ATOM 0 HZ PHE B 386 -4.139 -9.463 6.629 1.00 0.00 H new ATOM 1091 N ILE B 387 -2.051 -7.926 -0.605 1.00 0.00 N ATOM 1092 CA ILE B 387 -2.367 -8.896 -1.647 1.00 0.00 C ATOM 1093 C ILE B 387 -1.112 -9.615 -2.128 1.00 0.00 C ATOM 1094 O ILE B 387 -1.153 -10.797 -2.473 1.00 0.00 O ATOM 1095 CB ILE B 387 -3.054 -8.224 -2.851 1.00 0.00 C ATOM 1096 CG1 ILE B 387 -4.538 -7.995 -2.557 1.00 0.00 C ATOM 1097 CG2 ILE B 387 -2.881 -9.074 -4.101 1.00 0.00 C ATOM 1098 CD1 ILE B 387 -5.327 -9.276 -2.395 1.00 0.00 C ATOM 0 H ILE B 387 -2.096 -6.953 -0.907 1.00 0.00 H new ATOM 0 HA ILE B 387 -3.051 -9.621 -1.206 1.00 0.00 H new ATOM 0 HB ILE B 387 -2.584 -7.256 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE B 387 -4.633 -7.402 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE B 387 -4.974 -7.409 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE B 387 -3.372 -8.586 -4.943 1.00 0.00 H new ATOM 0 HG22 ILE B 387 -1.819 -9.191 -4.318 1.00 0.00 H new ATOM 0 HG23 ILE B 387 -3.328 -10.055 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE B 387 -6.370 -9.037 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE B 387 -5.263 -9.861 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE B 387 -4.916 -9.854 -1.567 1.00 0.00 H new ATOM 1110 N LEU B 388 0.005 -8.895 -2.146 1.00 0.00 N ATOM 1111 CA LEU B 388 1.275 -9.465 -2.583 1.00 0.00 C ATOM 1112 C LEU B 388 1.710 -10.598 -1.659 1.00 0.00 C ATOM 1113 O LEU B 388 2.098 -11.673 -2.118 1.00 0.00 O ATOM 1114 CB LEU B 388 2.355 -8.382 -2.625 1.00 0.00 C ATOM 1115 CG LEU B 388 2.350 -7.476 -3.857 1.00 0.00 C ATOM 1116 CD1 LEU B 388 3.215 -6.248 -3.620 1.00 0.00 C ATOM 1117 CD2 LEU B 388 2.830 -8.241 -5.082 1.00 0.00 C ATOM 0 H LEU B 388 0.057 -7.916 -1.863 1.00 0.00 H new ATOM 0 HA LEU B 388 1.137 -9.871 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU B 388 2.249 -7.757 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU B 388 3.329 -8.866 -2.559 1.00 0.00 H new ATOM 0 HG LEU B 388 1.327 -7.145 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU B 388 3.199 -5.615 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU B 388 2.827 -5.689 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU B 388 4.239 -6.559 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU B 388 2.820 -7.581 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU B 388 3.844 -8.601 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU B 388 2.170 -9.089 -5.263 1.00 0.00 H new ATOM 1129 N VAL B 389 1.641 -10.350 -0.355 1.00 0.00 N ATOM 1130 CA VAL B 389 2.025 -11.351 0.634 1.00 0.00 C ATOM 1131 C VAL B 389 0.960 -12.434 0.762 1.00 0.00 C ATOM 1132 O VAL B 389 1.274 -13.610 0.942 1.00 0.00 O ATOM 1133 CB VAL B 389 2.260 -10.712 2.016 1.00 0.00 C ATOM 1134 CG1 VAL B 389 2.758 -11.753 3.007 1.00 0.00 C ATOM 1135 CG2 VAL B 389 3.242 -9.555 1.907 1.00 0.00 C ATOM 0 H VAL B 389 1.323 -9.465 0.041 1.00 0.00 H new ATOM 0 HA VAL B 389 2.955 -11.800 0.286 1.00 0.00 H new ATOM 0 HB VAL B 389 1.311 -10.320 2.383 1.00 0.00 H new ATOM 0 HG11 VAL B 389 2.919 -11.284 3.978 1.00 0.00 H new ATOM 0 HG12 VAL B 389 2.016 -12.546 3.105 1.00 0.00 H new ATOM 0 HG13 VAL B 389 3.696 -12.176 2.649 1.00 0.00 H new ATOM 0 HG21 VAL B 389 3.397 -9.115 2.892 1.00 0.00 H new ATOM 0 HG22 VAL B 389 4.193 -9.920 1.519 1.00 0.00 H new ATOM 0 HG23 VAL B 389 2.841 -8.800 1.231 1.00 0.00 H new ATOM 1145 N VAL B 390 -0.303 -12.029 0.666 1.00 0.00 N ATOM 1146 CA VAL B 390 -1.415 -12.965 0.769 1.00 0.00 C ATOM 1147 C VAL B 390 -1.487 -13.871 -0.456 1.00 0.00 C ATOM 1148 O VAL B 390 -1.500 -15.095 -0.335 1.00 0.00 O ATOM 1149 CB VAL B 390 -2.758 -12.227 0.927 1.00 0.00 C ATOM 1150 CG1 VAL B 390 -3.917 -13.140 0.558 1.00 0.00 C ATOM 1151 CG2 VAL B 390 -2.913 -11.702 2.346 1.00 0.00 C ATOM 0 H VAL B 390 -0.581 -11.059 0.517 1.00 0.00 H new ATOM 0 HA VAL B 390 -1.236 -13.572 1.656 1.00 0.00 H new ATOM 0 HB VAL B 390 -2.767 -11.376 0.246 1.00 0.00 H new ATOM 0 HG11 VAL B 390 -4.857 -12.601 0.676 1.00 0.00 H new ATOM 0 HG12 VAL B 390 -3.811 -13.462 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL B 390 -3.915 -14.013 1.211 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -3.867 -11.183 2.440 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -2.882 -12.536 3.048 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.101 -11.010 2.569 1.00 0.00 H new ATOM 1161 N ALA B 391 -1.533 -13.259 -1.635 1.00 0.00 N ATOM 1162 CA ALA B 391 -1.601 -14.010 -2.882 1.00 0.00 C ATOM 1163 C ALA B 391 -0.380 -14.908 -3.050 1.00 0.00 C ATOM 1164 O ALA B 391 -0.497 -16.059 -3.470 1.00 0.00 O ATOM 1165 CB ALA B 391 -1.726 -13.060 -4.064 1.00 0.00 C ATOM 0 H ALA B 391 -1.524 -12.246 -1.752 1.00 0.00 H new ATOM 0 HA ALA B 391 -2.485 -14.646 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA B 391 -1.776 -13.635 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA B 391 -2.633 -12.464 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA B 391 -0.859 -12.400 -4.093 1.00 0.00 H new ATOM 1171 N ALA B 392 0.791 -14.373 -2.720 1.00 0.00 N ATOM 1172 CA ALA B 392 2.034 -15.127 -2.833 1.00 0.00 C ATOM 1173 C ALA B 392 1.982 -16.400 -1.996 1.00 0.00 C ATOM 1174 O ALA B 392 2.273 -17.491 -2.487 1.00 0.00 O ATOM 1175 CB ALA B 392 3.215 -14.264 -2.412 1.00 0.00 C ATOM 0 H ALA B 392 0.905 -13.421 -2.372 1.00 0.00 H new ATOM 0 HA ALA B 392 2.162 -15.415 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA B 392 4.136 -14.840 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA B 392 3.272 -13.386 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA B 392 3.084 -13.948 -1.377 1.00 0.00 H new ATOM 1181 N VAL B 393 1.608 -16.255 -0.728 1.00 0.00 N ATOM 1182 CA VAL B 393 1.517 -17.394 0.178 1.00 0.00 C ATOM 1183 C VAL B 393 0.452 -18.381 -0.286 1.00 0.00 C ATOM 1184 O VAL B 393 0.726 -19.567 -0.471 1.00 0.00 O ATOM 1185 CB VAL B 393 1.194 -16.944 1.615 1.00 0.00 C ATOM 1186 CG1 VAL B 393 1.004 -18.150 2.522 1.00 0.00 C ATOM 1187 CG2 VAL B 393 2.290 -16.033 2.147 1.00 0.00 C ATOM 0 H VAL B 393 1.363 -15.360 -0.305 1.00 0.00 H new ATOM 0 HA VAL B 393 2.491 -17.884 0.169 1.00 0.00 H new ATOM 0 HB VAL B 393 0.261 -16.381 1.600 1.00 0.00 H new ATOM 0 HG11 VAL B 393 0.777 -17.813 3.533 1.00 0.00 H new ATOM 0 HG12 VAL B 393 0.181 -18.760 2.149 1.00 0.00 H new ATOM 0 HG13 VAL B 393 1.918 -18.743 2.535 1.00 0.00 H new ATOM 0 HG21 VAL B 393 2.045 -15.725 3.163 1.00 0.00 H new ATOM 0 HG22 VAL B 393 3.239 -16.569 2.149 1.00 0.00 H new ATOM 0 HG23 VAL B 393 2.372 -15.152 1.510 1.00 0.00 H new ATOM 1197 N THR B 394 -0.767 -17.884 -0.473 1.00 0.00 N ATOM 1198 CA THR B 394 -1.875 -18.721 -0.915 1.00 0.00 C ATOM 1199 C THR B 394 -1.538 -19.435 -2.219 1.00 0.00 C ATOM 1200 O THR B 394 -1.774 -20.636 -2.360 1.00 0.00 O ATOM 1201 CB THR B 394 -3.160 -17.895 -1.111 1.00 0.00 C ATOM 1202 OG1 THR B 394 -3.518 -17.248 0.115 1.00 0.00 O ATOM 1203 CG2 THR B 394 -4.306 -18.780 -1.578 1.00 0.00 C ATOM 0 H THR B 394 -1.012 -16.905 -0.325 1.00 0.00 H new ATOM 0 HA THR B 394 -2.044 -19.461 -0.133 1.00 0.00 H new ATOM 0 HB THR B 394 -2.969 -17.142 -1.876 1.00 0.00 H new ATOM 0 HG1 THR B 394 -2.967 -16.446 0.235 1.00 0.00 H new ATOM 0 HG21 THR B 394 -5.203 -18.175 -1.710 1.00 0.00 H new ATOM 0 HG22 THR B 394 -4.041 -19.248 -2.526 1.00 0.00 H new ATOM 0 HG23 THR B 394 -4.496 -19.553 -0.833 1.00 0.00 H new ATOM 1211 N LEU B 395 -0.987 -18.690 -3.171 1.00 0.00 N ATOM 1212 CA LEU B 395 -0.617 -19.252 -4.465 1.00 0.00 C ATOM 1213 C LEU B 395 0.484 -20.296 -4.310 1.00 0.00 C ATOM 1214 O LEU B 395 0.518 -21.290 -5.038 1.00 0.00 O ATOM 1215 CB LEU B 395 -0.155 -18.143 -5.411 1.00 0.00 C ATOM 1216 CG LEU B 395 -1.252 -17.235 -5.967 1.00 0.00 C ATOM 1217 CD1 LEU B 395 -0.660 -15.924 -6.463 1.00 0.00 C ATOM 1218 CD2 LEU B 395 -2.009 -17.936 -7.085 1.00 0.00 C ATOM 0 H LEU B 395 -0.787 -17.695 -3.071 1.00 0.00 H new ATOM 0 HA LEU B 395 -1.496 -19.738 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU B 395 0.570 -17.523 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU B 395 0.368 -18.603 -6.250 1.00 0.00 H new ATOM 0 HG LEU B 395 -1.954 -17.012 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU B 395 -1.456 -15.291 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU B 395 -0.164 -15.414 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU B 395 0.064 -16.127 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU B 395 -2.786 -17.275 -7.469 1.00 0.00 H new ATOM 0 HD22 LEU B 395 -1.318 -18.189 -7.889 1.00 0.00 H new ATOM 0 HD23 LEU B 395 -2.466 -18.847 -6.699 1.00 0.00 H new ATOM 1230 N CYS B 396 1.381 -20.066 -3.358 1.00 0.00 N ATOM 1231 CA CYS B 396 2.484 -20.987 -3.107 1.00 0.00 C ATOM 1232 C CYS B 396 1.983 -22.266 -2.444 1.00 0.00 C ATOM 1233 O CYS B 396 2.377 -23.369 -2.823 1.00 0.00 O ATOM 1234 CB CYS B 396 3.541 -20.322 -2.225 1.00 0.00 C ATOM 1235 SG CYS B 396 4.685 -19.249 -3.126 1.00 0.00 S ATOM 0 H CYS B 396 1.366 -19.249 -2.747 1.00 0.00 H new ATOM 0 HA CYS B 396 2.933 -21.247 -4.066 1.00 0.00 H new ATOM 0 HB2 CYS B 396 3.040 -19.736 -1.455 1.00 0.00 H new ATOM 0 HB3 CYS B 396 4.112 -21.097 -1.714 1.00 0.00 H new ATOM 0 HG CYS B 396 4.166 -18.063 -3.244 1.00 0.00 H new ATOM 1241 N ARG B 397 1.113 -22.110 -1.451 1.00 0.00 N ATOM 1242 CA ARG B 397 0.561 -23.253 -0.733 1.00 0.00 C ATOM 1243 C ARG B 397 -0.687 -23.783 -1.434 1.00 0.00 C ATOM 1244 O ARG B 397 -1.378 -24.661 -0.914 1.00 0.00 O ATOM 1245 CB ARG B 397 0.223 -22.862 0.707 1.00 0.00 C ATOM 1246 CG ARG B 397 1.424 -22.868 1.638 1.00 0.00 C ATOM 1247 CD ARG B 397 2.421 -21.781 1.267 1.00 0.00 C ATOM 1248 NE ARG B 397 3.321 -21.464 2.373 1.00 0.00 N ATOM 1249 CZ ARG B 397 4.307 -22.262 2.770 1.00 0.00 C ATOM 1250 NH1 ARG B 397 4.518 -23.417 2.155 1.00 0.00 N ATOM 1251 NH2 ARG B 397 5.084 -21.903 3.784 1.00 0.00 N ATOM 0 H ARG B 397 0.776 -21.204 -1.126 1.00 0.00 H new ATOM 0 HA ARG B 397 1.313 -24.042 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG B 397 -0.223 -21.867 0.709 1.00 0.00 H new ATOM 0 HB3 ARG B 397 -0.529 -23.549 1.094 1.00 0.00 H new ATOM 0 HG2 ARG B 397 1.090 -22.722 2.665 1.00 0.00 H new ATOM 0 HG3 ARG B 397 1.913 -23.841 1.597 1.00 0.00 H new ATOM 0 HD2 ARG B 397 3.005 -22.104 0.405 1.00 0.00 H new ATOM 0 HD3 ARG B 397 1.882 -20.882 0.968 1.00 0.00 H new ATOM 0 HE ARG B 397 3.185 -20.582 2.868 1.00 0.00 H new ATOM 0 HH11 ARG B 397 3.923 -23.696 1.375 1.00 0.00 H new ATOM 0 HH12 ARG B 397 5.275 -24.027 2.462 1.00 0.00 H new ATOM 0 HH21 ARG B 397 4.925 -21.015 4.259 1.00 0.00 H new ATOM 0 HH22 ARG B 397 5.841 -22.516 4.089 1.00 0.00 H new