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= 0.075 USER MOD Single : A 394 THR OG1 : rot 81:sc= 0.976 USER MOD Single : A 396 CYS SG : rot 86:sc= -0.0459 USER MOD Single : B 378 SER OG : rot 180:sc= 0 USER MOD Single : B 379 TYR OH : rot -104:sc= 0.0644 USER MOD Single : B 394 THR OG1 : rot 79:sc= 0.3 USER MOD Single : B 396 CYS SG : rot 86:sc= -0.125 USER MOD ----------------------------------------------------------------- ATOM 277 N LEU A 377 -2.584 6.327 -8.617 1.00 0.00 N ATOM 278 CA LEU A 377 -3.725 5.559 -8.131 1.00 0.00 C ATOM 279 C LEU A 377 -3.984 4.347 -9.020 1.00 0.00 C ATOM 280 O LEU A 377 -4.360 3.279 -8.536 1.00 0.00 O ATOM 281 CB LEU A 377 -4.973 6.442 -8.076 1.00 0.00 C ATOM 282 CG LEU A 377 -5.107 7.339 -6.845 1.00 0.00 C ATOM 283 CD1 LEU A 377 -6.208 8.367 -7.051 1.00 0.00 C ATOM 284 CD2 LEU A 377 -5.381 6.502 -5.604 1.00 0.00 C ATOM 0 HA LEU A 377 -3.493 5.206 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -4.986 7.074 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.851 5.799 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 377 -4.166 7.870 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -6.289 8.996 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -5.970 8.987 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -7.156 7.856 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -5.474 7.156 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.308 5.944 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -4.558 5.805 -5.446 1.00 0.00 H new ATOM 296 N SER A 378 -3.779 4.519 -10.322 1.00 0.00 N ATOM 297 CA SER A 378 -3.993 3.440 -11.279 1.00 0.00 C ATOM 298 C SER A 378 -3.300 2.161 -10.819 1.00 0.00 C ATOM 299 O SER A 378 -3.781 1.056 -11.071 1.00 0.00 O ATOM 300 CB SER A 378 -3.475 3.845 -12.660 1.00 0.00 C ATOM 301 OG SER A 378 -2.079 4.087 -12.631 1.00 0.00 O ATOM 0 H SER A 378 -3.465 5.396 -10.738 1.00 0.00 H new ATOM 0 HA SER A 378 -5.065 3.250 -11.342 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.696 3.057 -13.380 1.00 0.00 H new ATOM 0 HB3 SER A 378 -3.995 4.741 -12.999 1.00 0.00 H new ATOM 0 HG SER A 378 -1.773 4.342 -13.526 1.00 0.00 H new ATOM 307 N TYR A 379 -2.168 2.320 -10.142 1.00 0.00 N ATOM 308 CA TYR A 379 -1.406 1.179 -9.648 1.00 0.00 C ATOM 309 C TYR A 379 -2.166 0.454 -8.541 1.00 0.00 C ATOM 310 O TYR A 379 -2.381 -0.755 -8.609 1.00 0.00 O ATOM 311 CB TYR A 379 -0.041 1.636 -9.130 1.00 0.00 C ATOM 312 CG TYR A 379 0.968 0.516 -9.015 1.00 0.00 C ATOM 313 CD1 TYR A 379 1.396 -0.179 -10.139 1.00 0.00 C ATOM 314 CD2 TYR A 379 1.496 0.154 -7.781 1.00 0.00 C ATOM 315 CE1 TYR A 379 2.317 -1.203 -10.038 1.00 0.00 C ATOM 316 CE2 TYR A 379 2.419 -0.867 -7.671 1.00 0.00 C ATOM 317 CZ TYR A 379 2.826 -1.543 -8.802 1.00 0.00 C ATOM 318 OH TYR A 379 3.746 -2.562 -8.698 1.00 0.00 O ATOM 0 H TYR A 379 -1.758 3.228 -9.923 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.259 0.486 -10.477 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.354 2.402 -9.797 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -0.169 2.100 -8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 379 1.002 0.086 -11.109 1.00 0.00 H new ATOM 0 HD2 TYR A 379 1.179 0.680 -6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 379 2.637 -1.735 -10.922 1.00 0.00 H new ATOM 0 HE2 TYR A 379 2.820 -1.135 -6.705 1.00 0.00 H new ATOM 0 HH TYR A 379 3.313 -3.357 -8.323 1.00 0.00 H new ATOM 328 N GLY A 380 -2.571 1.205 -7.521 1.00 0.00 N ATOM 329 CA GLY A 380 -3.304 0.619 -6.414 1.00 0.00 C ATOM 330 C GLY A 380 -4.691 0.159 -6.815 1.00 0.00 C ATOM 331 O GLY A 380 -5.063 -0.991 -6.582 1.00 0.00 O ATOM 0 H GLY A 380 -2.405 2.208 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 380 -2.744 -0.229 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 380 -3.386 1.350 -5.609 1.00 0.00 H new ATOM 335 N VAL A 381 -5.460 1.060 -7.418 1.00 0.00 N ATOM 336 CA VAL A 381 -6.815 0.741 -7.852 1.00 0.00 C ATOM 337 C VAL A 381 -6.807 -0.328 -8.939 1.00 0.00 C ATOM 338 O VAL A 381 -7.487 -1.347 -8.828 1.00 0.00 O ATOM 339 CB VAL A 381 -7.544 1.990 -8.381 1.00 0.00 C ATOM 340 CG1 VAL A 381 -9.036 1.722 -8.513 1.00 0.00 C ATOM 341 CG2 VAL A 381 -7.287 3.182 -7.472 1.00 0.00 C ATOM 0 H VAL A 381 -5.168 2.017 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 381 -7.346 0.363 -6.978 1.00 0.00 H new ATOM 0 HB VAL A 381 -7.152 2.226 -9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 381 -9.534 2.616 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 381 -9.198 0.898 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 381 -9.446 1.460 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 381 -7.810 4.056 -7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 381 -7.650 2.959 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 381 -6.217 3.387 -7.434 1.00 0.00 H new ATOM 351 N GLY A 382 -6.030 -0.088 -9.992 1.00 0.00 N ATOM 352 CA GLY A 382 -5.947 -1.039 -11.084 1.00 0.00 C ATOM 353 C GLY A 382 -5.635 -2.444 -10.608 1.00 0.00 C ATOM 354 O GLY A 382 -6.278 -3.406 -11.027 1.00 0.00 O ATOM 0 H GLY A 382 -5.457 0.748 -10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -6.891 -1.045 -11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.177 -0.717 -11.784 1.00 0.00 H new ATOM 358 N PHE A 383 -4.644 -2.563 -9.730 1.00 0.00 N ATOM 359 CA PHE A 383 -4.247 -3.861 -9.198 1.00 0.00 C ATOM 360 C PHE A 383 -5.357 -4.461 -8.342 1.00 0.00 C ATOM 361 O PHE A 383 -5.526 -5.680 -8.288 1.00 0.00 O ATOM 362 CB PHE A 383 -2.966 -3.727 -8.372 1.00 0.00 C ATOM 363 CG PHE A 383 -2.318 -5.044 -8.052 1.00 0.00 C ATOM 364 CD1 PHE A 383 -1.961 -5.919 -9.065 1.00 0.00 C ATOM 365 CD2 PHE A 383 -2.066 -5.406 -6.739 1.00 0.00 C ATOM 366 CE1 PHE A 383 -1.364 -7.132 -8.774 1.00 0.00 C ATOM 367 CE2 PHE A 383 -1.469 -6.616 -6.442 1.00 0.00 C ATOM 368 CZ PHE A 383 -1.119 -7.481 -7.461 1.00 0.00 C ATOM 0 H PHE A 383 -4.102 -1.777 -9.372 1.00 0.00 H new ATOM 0 HA PHE A 383 -4.061 -4.529 -10.039 1.00 0.00 H new ATOM 0 HB2 PHE A 383 -2.256 -3.105 -8.916 1.00 0.00 H new ATOM 0 HB3 PHE A 383 -3.196 -3.209 -7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 383 -2.151 -5.651 -10.094 1.00 0.00 H new ATOM 0 HD2 PHE A 383 -2.339 -4.735 -5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 383 -1.090 -7.805 -9.573 1.00 0.00 H new ATOM 0 HE2 PHE A 383 -1.276 -6.886 -5.414 1.00 0.00 H new ATOM 0 HZ PHE A 383 -0.655 -8.428 -7.231 1.00 0.00 H new ATOM 378 N PHE A 384 -6.113 -3.597 -7.672 1.00 0.00 N ATOM 379 CA PHE A 384 -7.206 -4.040 -6.816 1.00 0.00 C ATOM 380 C PHE A 384 -8.262 -4.788 -7.625 1.00 0.00 C ATOM 381 O PHE A 384 -8.657 -5.901 -7.274 1.00 0.00 O ATOM 382 CB PHE A 384 -7.845 -2.844 -6.107 1.00 0.00 C ATOM 383 CG PHE A 384 -8.445 -3.188 -4.774 1.00 0.00 C ATOM 384 CD1 PHE A 384 -9.346 -4.233 -4.653 1.00 0.00 C ATOM 385 CD2 PHE A 384 -8.107 -2.466 -3.640 1.00 0.00 C ATOM 386 CE1 PHE A 384 -9.900 -4.551 -3.428 1.00 0.00 C ATOM 387 CE2 PHE A 384 -8.658 -2.779 -2.412 1.00 0.00 C ATOM 388 CZ PHE A 384 -9.555 -3.824 -2.306 1.00 0.00 C ATOM 0 H PHE A 384 -5.988 -2.585 -7.706 1.00 0.00 H new ATOM 0 HA PHE A 384 -6.796 -4.720 -6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 384 -7.091 -2.069 -5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 384 -8.620 -2.424 -6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 384 -9.619 -4.806 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 384 -7.405 -1.649 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 384 -10.602 -5.368 -3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 384 -8.388 -2.207 -1.536 1.00 0.00 H new ATOM 0 HZ PHE A 384 -9.986 -4.072 -1.347 1.00 0.00 H new ATOM 398 N LEU A 385 -8.714 -4.170 -8.710 1.00 0.00 N ATOM 399 CA LEU A 385 -9.724 -4.776 -9.571 1.00 0.00 C ATOM 400 C LEU A 385 -9.200 -6.059 -10.207 1.00 0.00 C ATOM 401 O LEU A 385 -9.862 -7.096 -10.174 1.00 0.00 O ATOM 402 CB LEU A 385 -10.151 -3.791 -10.661 1.00 0.00 C ATOM 403 CG LEU A 385 -10.321 -2.336 -10.222 1.00 0.00 C ATOM 404 CD1 LEU A 385 -11.005 -1.525 -11.312 1.00 0.00 C ATOM 405 CD2 LEU A 385 -11.110 -2.259 -8.923 1.00 0.00 C ATOM 0 H LEU A 385 -8.397 -3.250 -9.015 1.00 0.00 H new ATOM 0 HA LEU A 385 -10.588 -5.025 -8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -9.412 -3.824 -11.462 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -11.095 -4.135 -11.084 1.00 0.00 H new ATOM 0 HG LEU A 385 -9.332 -1.912 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -11.117 -0.492 -10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -10.401 -1.552 -12.219 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -11.988 -1.949 -11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -11.221 -1.216 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -12.095 -2.702 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -10.580 -2.804 -8.142 1.00 0.00 H new ATOM 417 N PHE A 386 -8.005 -5.982 -10.784 1.00 0.00 N ATOM 418 CA PHE A 386 -7.390 -7.137 -11.427 1.00 0.00 C ATOM 419 C PHE A 386 -7.154 -8.258 -10.418 1.00 0.00 C ATOM 420 O PHE A 386 -7.286 -9.438 -10.744 1.00 0.00 O ATOM 421 CB PHE A 386 -6.067 -6.739 -12.083 1.00 0.00 C ATOM 422 CG PHE A 386 -5.729 -7.557 -13.296 1.00 0.00 C ATOM 423 CD1 PHE A 386 -5.183 -8.824 -13.163 1.00 0.00 C ATOM 424 CD2 PHE A 386 -5.957 -7.061 -14.569 1.00 0.00 C ATOM 425 CE1 PHE A 386 -4.870 -9.579 -14.277 1.00 0.00 C ATOM 426 CE2 PHE A 386 -5.646 -7.812 -15.687 1.00 0.00 C ATOM 427 CZ PHE A 386 -5.103 -9.073 -15.541 1.00 0.00 C ATOM 0 H PHE A 386 -7.443 -5.131 -10.819 1.00 0.00 H new ATOM 0 HA PHE A 386 -8.072 -7.500 -12.195 1.00 0.00 H new ATOM 0 HB2 PHE A 386 -6.113 -5.687 -12.365 1.00 0.00 H new ATOM 0 HB3 PHE A 386 -5.264 -6.838 -11.352 1.00 0.00 H new ATOM 0 HD1 PHE A 386 -5.000 -9.226 -12.177 1.00 0.00 H new ATOM 0 HD2 PHE A 386 -6.383 -6.076 -14.689 1.00 0.00 H new ATOM 0 HE1 PHE A 386 -4.443 -10.564 -14.160 1.00 0.00 H new ATOM 0 HE2 PHE A 386 -5.828 -7.413 -16.674 1.00 0.00 H new ATOM 0 HZ PHE A 386 -4.861 -9.662 -16.413 1.00 0.00 H new ATOM 437 N ILE A 387 -6.802 -7.880 -9.194 1.00 0.00 N ATOM 438 CA ILE A 387 -6.547 -8.852 -8.139 1.00 0.00 C ATOM 439 C ILE A 387 -7.846 -9.477 -7.641 1.00 0.00 C ATOM 440 O ILE A 387 -7.884 -10.654 -7.279 1.00 0.00 O ATOM 441 CB ILE A 387 -5.811 -8.210 -6.948 1.00 0.00 C ATOM 442 CG1 ILE A 387 -4.316 -8.086 -7.251 1.00 0.00 C ATOM 443 CG2 ILE A 387 -6.034 -9.028 -5.684 1.00 0.00 C ATOM 444 CD1 ILE A 387 -3.616 -9.419 -7.396 1.00 0.00 C ATOM 0 H ILE A 387 -6.687 -6.908 -8.909 1.00 0.00 H new ATOM 0 HA ILE A 387 -5.915 -9.628 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 387 -6.215 -7.210 -6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 387 -4.186 -7.515 -8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 387 -3.838 -7.519 -6.453 1.00 0.00 H new ATOM 0 HG21 ILE A 387 -5.508 -8.562 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 387 -7.100 -9.070 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 387 -5.654 -10.039 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 387 -2.560 -9.254 -7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 387 -3.715 -9.984 -6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 387 -4.068 -9.980 -8.213 1.00 0.00 H new ATOM 456 N LEU A 388 -8.911 -8.683 -7.628 1.00 0.00 N ATOM 457 CA LEU A 388 -10.215 -9.158 -7.177 1.00 0.00 C ATOM 458 C LEU A 388 -10.730 -10.273 -8.081 1.00 0.00 C ATOM 459 O LEU A 388 -11.185 -11.313 -7.605 1.00 0.00 O ATOM 460 CB LEU A 388 -11.218 -8.003 -7.148 1.00 0.00 C ATOM 461 CG LEU A 388 -11.146 -7.082 -5.930 1.00 0.00 C ATOM 462 CD1 LEU A 388 -11.927 -5.802 -6.183 1.00 0.00 C ATOM 463 CD2 LEU A 388 -11.670 -7.793 -4.692 1.00 0.00 C ATOM 0 H LEU A 388 -8.897 -7.707 -7.925 1.00 0.00 H new ATOM 0 HA LEU A 388 -10.101 -9.557 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 388 -11.073 -7.399 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 388 -12.224 -8.420 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 388 -10.102 -6.819 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 388 -11.865 -5.158 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 388 -11.506 -5.283 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 388 -12.971 -6.046 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 388 -11.611 -7.122 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 388 -12.707 -8.086 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 388 -11.068 -8.681 -4.500 1.00 0.00 H new ATOM 475 N VAL A 389 -10.655 -10.049 -9.390 1.00 0.00 N ATOM 476 CA VAL A 389 -11.110 -11.036 -10.361 1.00 0.00 C ATOM 477 C VAL A 389 -10.122 -12.192 -10.476 1.00 0.00 C ATOM 478 O VAL A 389 -10.517 -13.347 -10.630 1.00 0.00 O ATOM 479 CB VAL A 389 -11.309 -10.405 -11.752 1.00 0.00 C ATOM 480 CG1 VAL A 389 -11.878 -11.425 -12.726 1.00 0.00 C ATOM 481 CG2 VAL A 389 -12.211 -9.183 -11.658 1.00 0.00 C ATOM 0 H VAL A 389 -10.283 -9.193 -9.801 1.00 0.00 H new ATOM 0 HA VAL A 389 -12.067 -11.415 -10.001 1.00 0.00 H new ATOM 0 HB VAL A 389 -10.338 -10.083 -12.128 1.00 0.00 H new ATOM 0 HG11 VAL A 389 -12.011 -10.960 -13.703 1.00 0.00 H new ATOM 0 HG12 VAL A 389 -11.190 -12.266 -12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 389 -12.841 -11.781 -12.359 1.00 0.00 H new ATOM 0 HG21 VAL A 389 -12.341 -8.750 -12.650 1.00 0.00 H new ATOM 0 HG22 VAL A 389 -13.182 -9.477 -11.261 1.00 0.00 H new ATOM 0 HG23 VAL A 389 -11.757 -8.445 -10.996 1.00 0.00 H new ATOM 491 N VAL A 390 -8.835 -11.872 -10.399 1.00 0.00 N ATOM 492 CA VAL A 390 -7.789 -12.883 -10.492 1.00 0.00 C ATOM 493 C VAL A 390 -7.773 -13.774 -9.255 1.00 0.00 C ATOM 494 O VAL A 390 -7.843 -14.998 -9.358 1.00 0.00 O ATOM 495 CB VAL A 390 -6.400 -12.240 -10.666 1.00 0.00 C ATOM 496 CG1 VAL A 390 -5.304 -13.225 -10.289 1.00 0.00 C ATOM 497 CG2 VAL A 390 -6.217 -11.747 -12.094 1.00 0.00 C ATOM 0 H VAL A 390 -8.491 -10.920 -10.272 1.00 0.00 H new ATOM 0 HA VAL A 390 -8.013 -13.489 -11.370 1.00 0.00 H new ATOM 0 HB VAL A 390 -6.330 -11.382 -9.997 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.330 -12.753 -10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.427 -13.525 -9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.369 -14.104 -10.930 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.230 -11.296 -12.199 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -6.307 -12.587 -12.783 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -6.982 -11.005 -12.324 1.00 0.00 H new ATOM 507 N ALA A 391 -7.681 -13.150 -8.085 1.00 0.00 N ATOM 508 CA ALA A 391 -7.659 -13.885 -6.827 1.00 0.00 C ATOM 509 C ALA A 391 -8.943 -14.684 -6.635 1.00 0.00 C ATOM 510 O ALA A 391 -8.915 -15.819 -6.160 1.00 0.00 O ATOM 511 CB ALA A 391 -7.450 -12.930 -5.661 1.00 0.00 C ATOM 0 H ALA A 391 -7.621 -12.137 -7.983 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.827 -14.588 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -7.436 -13.493 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -6.501 -12.408 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.263 -12.204 -5.635 1.00 0.00 H new ATOM 517 N ALA A 392 -10.069 -14.084 -7.008 1.00 0.00 N ATOM 518 CA ALA A 392 -11.364 -14.741 -6.878 1.00 0.00 C ATOM 519 C ALA A 392 -11.403 -16.041 -7.673 1.00 0.00 C ATOM 520 O ALA A 392 -11.771 -17.091 -7.148 1.00 0.00 O ATOM 521 CB ALA A 392 -12.477 -13.808 -7.332 1.00 0.00 C ATOM 0 H ALA A 392 -10.110 -13.144 -7.403 1.00 0.00 H new ATOM 0 HA ALA A 392 -11.516 -14.985 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 392 -13.438 -14.312 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 392 -12.471 -12.908 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 392 -12.320 -13.535 -8.375 1.00 0.00 H new ATOM 527 N VAL A 393 -11.021 -15.963 -8.944 1.00 0.00 N ATOM 528 CA VAL A 393 -11.011 -17.134 -9.813 1.00 0.00 C ATOM 529 C VAL A 393 -10.060 -18.202 -9.285 1.00 0.00 C ATOM 530 O VAL A 393 -10.450 -19.352 -9.082 1.00 0.00 O ATOM 531 CB VAL A 393 -10.603 -16.763 -11.251 1.00 0.00 C ATOM 532 CG1 VAL A 393 -10.520 -18.008 -12.121 1.00 0.00 C ATOM 533 CG2 VAL A 393 -11.579 -15.755 -11.839 1.00 0.00 C ATOM 0 H VAL A 393 -10.714 -15.101 -9.395 1.00 0.00 H new ATOM 0 HA VAL A 393 -12.027 -17.529 -9.823 1.00 0.00 H new ATOM 0 HB VAL A 393 -9.615 -16.303 -11.222 1.00 0.00 H new ATOM 0 HG11 VAL A 393 -10.230 -17.726 -13.133 1.00 0.00 H new ATOM 0 HG12 VAL A 393 -9.778 -18.691 -11.708 1.00 0.00 H new ATOM 0 HG13 VAL A 393 -11.492 -18.500 -12.146 1.00 0.00 H new ATOM 0 HG21 VAL A 393 -11.275 -15.504 -12.855 1.00 0.00 H new ATOM 0 HG22 VAL A 393 -12.580 -16.185 -11.855 1.00 0.00 H new ATOM 0 HG23 VAL A 393 -11.582 -14.852 -11.228 1.00 0.00 H new ATOM 543 N THR A 394 -8.808 -17.814 -9.065 1.00 0.00 N ATOM 544 CA THR A 394 -7.799 -18.738 -8.561 1.00 0.00 C ATOM 545 C THR A 394 -8.227 -19.348 -7.232 1.00 0.00 C ATOM 546 O THR A 394 -8.146 -20.562 -7.039 1.00 0.00 O ATOM 547 CB THR A 394 -6.439 -18.039 -8.378 1.00 0.00 C ATOM 548 OG1 THR A 394 -6.146 -17.229 -9.522 1.00 0.00 O ATOM 549 CG2 THR A 394 -5.329 -19.060 -8.176 1.00 0.00 C ATOM 0 H THR A 394 -8.468 -16.866 -9.228 1.00 0.00 H new ATOM 0 HA THR A 394 -7.696 -19.529 -9.304 1.00 0.00 H new ATOM 0 HB THR A 394 -6.497 -17.407 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 394 -6.621 -16.375 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 394 -4.378 -18.543 -8.049 1.00 0.00 H new ATOM 0 HG22 THR A 394 -5.540 -19.656 -7.288 1.00 0.00 H new ATOM 0 HG23 THR A 394 -5.273 -19.714 -9.046 1.00 0.00 H new ATOM 557 N LEU A 395 -8.684 -18.500 -6.317 1.00 0.00 N ATOM 558 CA LEU A 395 -9.126 -18.957 -5.004 1.00 0.00 C ATOM 559 C LEU A 395 -10.339 -19.874 -5.126 1.00 0.00 C ATOM 560 O LEU A 395 -10.484 -20.832 -4.365 1.00 0.00 O ATOM 561 CB LEU A 395 -9.467 -17.760 -4.114 1.00 0.00 C ATOM 562 CG LEU A 395 -8.279 -16.941 -3.607 1.00 0.00 C ATOM 563 CD1 LEU A 395 -8.730 -15.553 -3.181 1.00 0.00 C ATOM 564 CD2 LEU A 395 -7.590 -17.657 -2.455 1.00 0.00 C ATOM 0 H LEU A 395 -8.758 -17.493 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 395 -8.311 -19.521 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 395 -10.129 -17.096 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 395 -10.028 -18.122 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 395 -7.563 -16.833 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 395 -7.871 -14.985 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 395 -9.176 -15.038 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 395 -9.466 -15.639 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 395 -6.747 -17.060 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 395 -8.298 -17.796 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 395 -7.231 -18.629 -2.793 1.00 0.00 H new ATOM 576 N CYS A 396 -11.204 -19.577 -6.089 1.00 0.00 N ATOM 577 CA CYS A 396 -12.403 -20.377 -6.313 1.00 0.00 C ATOM 578 C CYS A 396 -12.048 -21.735 -6.909 1.00 0.00 C ATOM 579 O CYS A 396 -12.562 -22.767 -6.477 1.00 0.00 O ATOM 580 CB CYS A 396 -13.369 -19.637 -7.240 1.00 0.00 C ATOM 581 SG CYS A 396 -14.402 -18.412 -6.403 1.00 0.00 S ATOM 0 H CYS A 396 -11.098 -18.788 -6.727 1.00 0.00 H new ATOM 0 HA CYS A 396 -12.887 -20.539 -5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 396 -12.796 -19.140 -8.022 1.00 0.00 H new ATOM 0 HB3 CYS A 396 -14.014 -20.365 -7.732 1.00 0.00 H new ATOM 0 HG CYS A 396 -13.762 -17.283 -6.329 1.00 0.00 H new ATOM 587 N ARG A 397 -11.167 -21.727 -7.903 1.00 0.00 N ATOM 588 CA ARG A 397 -10.745 -22.959 -8.560 1.00 0.00 C ATOM 589 C ARG A 397 -9.576 -23.599 -7.817 1.00 0.00 C ATOM 590 O ARG A 397 -8.993 -24.579 -8.282 1.00 0.00 O ATOM 591 CB ARG A 397 -10.348 -22.678 -10.011 1.00 0.00 C ATOM 592 CG ARG A 397 -11.532 -22.596 -10.961 1.00 0.00 C ATOM 593 CD ARG A 397 -12.438 -21.423 -10.623 1.00 0.00 C ATOM 594 NE ARG A 397 -13.387 -21.138 -11.696 1.00 0.00 N ATOM 595 CZ ARG A 397 -14.210 -20.095 -11.691 1.00 0.00 C ATOM 596 NH1 ARG A 397 -14.199 -19.242 -10.675 1.00 0.00 N ATOM 597 NH2 ARG A 397 -15.046 -19.902 -12.704 1.00 0.00 N ATOM 0 H ARG A 397 -10.731 -20.882 -8.272 1.00 0.00 H new ATOM 0 HA ARG A 397 -11.585 -23.654 -8.548 1.00 0.00 H new ATOM 0 HB2 ARG A 397 -9.794 -21.740 -10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 397 -9.672 -23.462 -10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 397 -11.172 -22.496 -11.985 1.00 0.00 H new ATOM 0 HG3 ARG A 397 -12.103 -23.523 -10.913 1.00 0.00 H new ATOM 0 HD2 ARG A 397 -12.984 -21.639 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 397 -11.830 -20.539 -10.432 1.00 0.00 H new ATOM 0 HE ARG A 397 -13.420 -21.774 -12.493 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -13.558 -19.386 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -14.832 -18.442 -10.674 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -15.057 -20.555 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -15.677 -19.101 -12.699 1.00 0.00 H new ATOM 912 N ILE B 376 -6.944 8.031 0.004 1.00 0.00 N ATOM 913 CA ILE B 376 -7.560 7.045 -0.875 1.00 0.00 C ATOM 914 C ILE B 376 -6.527 6.051 -1.396 1.00 0.00 C ATOM 915 O ILE B 376 -6.865 4.930 -1.778 1.00 0.00 O ATOM 916 CB ILE B 376 -8.258 7.716 -2.072 1.00 0.00 C ATOM 917 CG1 ILE B 376 -8.976 8.991 -1.623 1.00 0.00 C ATOM 918 CG2 ILE B 376 -9.239 6.751 -2.722 1.00 0.00 C ATOM 919 CD1 ILE B 376 -9.824 9.620 -2.705 1.00 0.00 C ATOM 0 HA ILE B 376 -8.304 6.515 -0.281 1.00 0.00 H new ATOM 0 HB ILE B 376 -7.502 7.987 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE B 376 -9.608 8.759 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE B 376 -8.235 9.716 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE B 376 -9.725 7.240 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE B 376 -8.703 5.869 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE B 376 -9.993 6.452 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE B 376 -10.303 10.519 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE B 376 -9.194 9.883 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE B 376 -10.588 8.912 -3.026 1.00 0.00 H new ATOM 931 N LEU B 377 -5.265 6.469 -1.406 1.00 0.00 N ATOM 932 CA LEU B 377 -4.181 5.615 -1.878 1.00 0.00 C ATOM 933 C LEU B 377 -4.010 4.401 -0.971 1.00 0.00 C ATOM 934 O LEU B 377 -3.711 3.302 -1.438 1.00 0.00 O ATOM 935 CB LEU B 377 -2.873 6.406 -1.943 1.00 0.00 C ATOM 936 CG LEU B 377 -2.673 7.271 -3.187 1.00 0.00 C ATOM 937 CD1 LEU B 377 -1.509 8.230 -2.989 1.00 0.00 C ATOM 938 CD2 LEU B 377 -2.444 6.398 -4.413 1.00 0.00 C ATOM 0 H LEU B 377 -4.968 7.393 -1.093 1.00 0.00 H new ATOM 0 HA LEU B 377 -4.437 5.265 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU B 377 -2.817 7.049 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU B 377 -2.043 5.703 -1.877 1.00 0.00 H new ATOM 0 HG LEU B 377 -3.578 7.858 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU B 377 -1.382 8.838 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU B 377 -1.713 8.878 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU B 377 -0.597 7.662 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU B 377 -2.304 7.031 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU B 377 -1.556 5.785 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU B 377 -3.309 5.752 -4.567 1.00 0.00 H new ATOM 950 N SER B 378 -4.203 4.607 0.328 1.00 0.00 N ATOM 951 CA SER B 378 -4.069 3.529 1.301 1.00 0.00 C ATOM 952 C SER B 378 -4.850 2.296 0.858 1.00 0.00 C ATOM 953 O SER B 378 -4.449 1.163 1.127 1.00 0.00 O ATOM 954 CB SER B 378 -4.559 3.990 2.675 1.00 0.00 C ATOM 955 OG SER B 378 -5.913 4.404 2.621 1.00 0.00 O ATOM 0 H SER B 378 -4.453 5.510 0.731 1.00 0.00 H new ATOM 0 HA SER B 378 -3.014 3.264 1.369 1.00 0.00 H new ATOM 0 HB2 SER B 378 -4.452 3.178 3.394 1.00 0.00 H new ATOM 0 HB3 SER B 378 -3.938 4.813 3.029 1.00 0.00 H new ATOM 0 HG SER B 378 -6.203 4.692 3.512 1.00 0.00 H new ATOM 961 N TYR B 379 -5.967 2.525 0.176 1.00 0.00 N ATOM 962 CA TYR B 379 -6.807 1.433 -0.303 1.00 0.00 C ATOM 963 C TYR B 379 -6.099 0.642 -1.398 1.00 0.00 C ATOM 964 O TYR B 379 -5.968 -0.578 -1.313 1.00 0.00 O ATOM 965 CB TYR B 379 -8.136 1.978 -0.829 1.00 0.00 C ATOM 966 CG TYR B 379 -9.223 0.932 -0.926 1.00 0.00 C ATOM 967 CD1 TYR B 379 -9.697 0.287 0.210 1.00 0.00 C ATOM 968 CD2 TYR B 379 -9.776 0.587 -2.153 1.00 0.00 C ATOM 969 CE1 TYR B 379 -10.690 -0.670 0.126 1.00 0.00 C ATOM 970 CE2 TYR B 379 -10.770 -0.368 -2.246 1.00 0.00 C ATOM 971 CZ TYR B 379 -11.223 -0.994 -1.104 1.00 0.00 C ATOM 972 OH TYR B 379 -12.212 -1.946 -1.192 1.00 0.00 O ATOM 0 H TYR B 379 -6.312 3.456 -0.057 1.00 0.00 H new ATOM 0 HA TYR B 379 -7.003 0.763 0.535 1.00 0.00 H new ATOM 0 HB2 TYR B 379 -8.474 2.782 -0.175 1.00 0.00 H new ATOM 0 HB3 TYR B 379 -7.975 2.415 -1.814 1.00 0.00 H new ATOM 0 HD1 TYR B 379 -9.282 0.538 1.175 1.00 0.00 H new ATOM 0 HD2 TYR B 379 -9.423 1.074 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR B 379 -11.047 -1.162 1.019 1.00 0.00 H new ATOM 0 HE2 TYR B 379 -11.190 -0.623 -3.208 1.00 0.00 H new ATOM 0 HH TYR B 379 -11.833 -2.780 -1.541 1.00 0.00 H new ATOM 982 N GLY B 380 -5.643 1.347 -2.429 1.00 0.00 N ATOM 983 CA GLY B 380 -4.954 0.696 -3.527 1.00 0.00 C ATOM 984 C GLY B 380 -3.601 0.147 -3.119 1.00 0.00 C ATOM 985 O GLY B 380 -3.310 -1.030 -3.333 1.00 0.00 O ATOM 0 H GLY B 380 -5.739 2.358 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY B 380 -5.572 -0.117 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY B 380 -4.823 1.407 -4.342 1.00 0.00 H new ATOM 989 N VAL B 381 -2.771 1.001 -2.529 1.00 0.00 N ATOM 990 CA VAL B 381 -1.441 0.595 -2.089 1.00 0.00 C ATOM 991 C VAL B 381 -1.524 -0.453 -0.986 1.00 0.00 C ATOM 992 O VAL B 381 -0.914 -1.518 -1.079 1.00 0.00 O ATOM 993 CB VAL B 381 -0.627 1.799 -1.579 1.00 0.00 C ATOM 994 CG1 VAL B 381 0.843 1.432 -1.446 1.00 0.00 C ATOM 995 CG2 VAL B 381 -0.805 2.993 -2.504 1.00 0.00 C ATOM 0 H VAL B 381 -2.996 1.979 -2.345 1.00 0.00 H new ATOM 0 HA VAL B 381 -0.937 0.167 -2.956 1.00 0.00 H new ATOM 0 HB VAL B 381 -0.999 2.075 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL B 381 1.402 2.295 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL B 381 0.950 0.609 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL B 381 1.232 1.129 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL B 381 -0.223 3.834 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL B 381 -0.461 2.732 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL B 381 -1.859 3.269 -2.543 1.00 0.00 H new ATOM 1005 N GLY B 382 -2.283 -0.145 0.061 1.00 0.00 N ATOM 1006 CA GLY B 382 -2.432 -1.071 1.168 1.00 0.00 C ATOM 1007 C GLY B 382 -2.840 -2.459 0.713 1.00 0.00 C ATOM 1008 O GLY B 382 -2.266 -3.457 1.149 1.00 0.00 O ATOM 0 H GLY B 382 -2.798 0.730 0.162 1.00 0.00 H new ATOM 0 HA2 GLY B 382 -1.491 -1.133 1.715 1.00 0.00 H new ATOM 0 HA3 GLY B 382 -3.179 -0.685 1.862 1.00 0.00 H new ATOM 1012 N PHE B 383 -3.835 -2.523 -0.165 1.00 0.00 N ATOM 1013 CA PHE B 383 -4.321 -3.798 -0.678 1.00 0.00 C ATOM 1014 C PHE B 383 -3.255 -4.486 -1.525 1.00 0.00 C ATOM 1015 O PHE B 383 -3.170 -5.714 -1.560 1.00 0.00 O ATOM 1016 CB PHE B 383 -5.590 -3.589 -1.507 1.00 0.00 C ATOM 1017 CG PHE B 383 -6.330 -4.862 -1.804 1.00 0.00 C ATOM 1018 CD1 PHE B 383 -6.745 -5.693 -0.775 1.00 0.00 C ATOM 1019 CD2 PHE B 383 -6.609 -5.228 -3.110 1.00 0.00 C ATOM 1020 CE1 PHE B 383 -7.426 -6.865 -1.045 1.00 0.00 C ATOM 1021 CE2 PHE B 383 -7.291 -6.399 -3.385 1.00 0.00 C ATOM 1022 CZ PHE B 383 -7.698 -7.219 -2.351 1.00 0.00 C ATOM 0 H PHE B 383 -4.321 -1.706 -0.536 1.00 0.00 H new ATOM 0 HA PHE B 383 -4.553 -4.438 0.173 1.00 0.00 H new ATOM 0 HB2 PHE B 383 -6.254 -2.908 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE B 383 -5.325 -3.105 -2.447 1.00 0.00 H new ATOM 0 HD1 PHE B 383 -6.534 -5.422 0.249 1.00 0.00 H new ATOM 0 HD2 PHE B 383 -6.290 -4.592 -3.923 1.00 0.00 H new ATOM 0 HE1 PHE B 383 -7.745 -7.503 -0.234 1.00 0.00 H new ATOM 0 HE2 PHE B 383 -7.505 -6.672 -4.408 1.00 0.00 H new ATOM 0 HZ PHE B 383 -8.228 -8.136 -2.564 1.00 0.00 H new ATOM 1032 N PHE B 384 -2.443 -3.685 -2.208 1.00 0.00 N ATOM 1033 CA PHE B 384 -1.382 -4.216 -3.057 1.00 0.00 C ATOM 1034 C PHE B 384 -0.381 -5.023 -2.235 1.00 0.00 C ATOM 1035 O PHE B 384 -0.063 -6.165 -2.570 1.00 0.00 O ATOM 1036 CB PHE B 384 -0.663 -3.077 -3.783 1.00 0.00 C ATOM 1037 CG PHE B 384 -0.089 -3.480 -5.111 1.00 0.00 C ATOM 1038 CD1 PHE B 384 0.735 -4.589 -5.216 1.00 0.00 C ATOM 1039 CD2 PHE B 384 -0.374 -2.751 -6.254 1.00 0.00 C ATOM 1040 CE1 PHE B 384 1.265 -4.962 -6.436 1.00 0.00 C ATOM 1041 CE2 PHE B 384 0.153 -3.120 -7.477 1.00 0.00 C ATOM 1042 CZ PHE B 384 0.973 -4.227 -7.569 1.00 0.00 C ATOM 0 H PHE B 384 -2.499 -2.667 -2.190 1.00 0.00 H new ATOM 0 HA PHE B 384 -1.837 -4.877 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE B 384 -1.362 -2.254 -3.933 1.00 0.00 H new ATOM 0 HB3 PHE B 384 0.140 -2.702 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE B 384 0.966 -5.168 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE B 384 -1.015 -1.884 -6.189 1.00 0.00 H new ATOM 0 HE1 PHE B 384 1.907 -5.828 -6.504 1.00 0.00 H new ATOM 0 HE2 PHE B 384 -0.076 -2.543 -8.360 1.00 0.00 H new ATOM 0 HZ PHE B 384 1.385 -4.518 -8.524 1.00 0.00 H new ATOM 1052 N LEU B 385 0.114 -4.421 -1.160 1.00 0.00 N ATOM 1053 CA LEU B 385 1.081 -5.082 -0.289 1.00 0.00 C ATOM 1054 C LEU B 385 0.468 -6.315 0.366 1.00 0.00 C ATOM 1055 O LEU B 385 1.057 -7.397 0.350 1.00 0.00 O ATOM 1056 CB LEU B 385 1.576 -4.112 0.785 1.00 0.00 C ATOM 1057 CG LEU B 385 1.849 -2.680 0.323 1.00 0.00 C ATOM 1058 CD1 LEU B 385 2.591 -1.904 1.400 1.00 0.00 C ATOM 1059 CD2 LEU B 385 2.640 -2.682 -0.977 1.00 0.00 C ATOM 0 H LEU B 385 -0.138 -3.476 -0.870 1.00 0.00 H new ATOM 0 HA LEU B 385 1.926 -5.400 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU B 385 0.837 -4.079 1.585 1.00 0.00 H new ATOM 0 HB3 LEU B 385 2.493 -4.515 1.215 1.00 0.00 H new ATOM 0 HG LEU B 385 0.893 -2.187 0.143 1.00 0.00 H new ATOM 0 HD11 LEU B 385 2.777 -0.887 1.053 1.00 0.00 H new ATOM 0 HD12 LEU B 385 1.988 -1.874 2.307 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.541 -2.394 1.612 1.00 0.00 H new ATOM 0 HD21 LEU B 385 2.826 -1.655 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU B 385 3.591 -3.192 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU B 385 2.071 -3.201 -1.748 1.00 0.00 H new ATOM 1071 N PHE B 386 -0.718 -6.147 0.940 1.00 0.00 N ATOM 1072 CA PHE B 386 -1.411 -7.247 1.600 1.00 0.00 C ATOM 1073 C PHE B 386 -1.726 -8.364 0.610 1.00 0.00 C ATOM 1074 O PHE B 386 -1.675 -9.545 0.954 1.00 0.00 O ATOM 1075 CB PHE B 386 -2.703 -6.747 2.250 1.00 0.00 C ATOM 1076 CG PHE B 386 -3.099 -7.523 3.473 1.00 0.00 C ATOM 1077 CD1 PHE B 386 -3.738 -8.747 3.357 1.00 0.00 C ATOM 1078 CD2 PHE B 386 -2.831 -7.029 4.740 1.00 0.00 C ATOM 1079 CE1 PHE B 386 -4.103 -9.464 4.481 1.00 0.00 C ATOM 1080 CE2 PHE B 386 -3.193 -7.742 5.867 1.00 0.00 C ATOM 1081 CZ PHE B 386 -3.831 -8.960 5.738 1.00 0.00 C ATOM 0 H PHE B 386 -1.220 -5.259 0.962 1.00 0.00 H new ATOM 0 HA PHE B 386 -0.754 -7.645 2.373 1.00 0.00 H new ATOM 0 HB2 PHE B 386 -2.582 -5.698 2.519 1.00 0.00 H new ATOM 0 HB3 PHE B 386 -3.511 -6.798 1.520 1.00 0.00 H new ATOM 0 HD1 PHE B 386 -3.953 -9.146 2.377 1.00 0.00 H new ATOM 0 HD2 PHE B 386 -2.334 -6.076 4.848 1.00 0.00 H new ATOM 0 HE1 PHE B 386 -4.600 -10.417 4.377 1.00 0.00 H new ATOM 0 HE2 PHE B 386 -2.977 -7.347 6.849 1.00 0.00 H new ATOM 0 HZ PHE B 386 -4.117 -9.517 6.618 1.00 0.00 H new ATOM 1091 N ILE B 387 -2.051 -7.981 -0.620 1.00 0.00 N ATOM 1092 CA ILE B 387 -2.373 -8.950 -1.661 1.00 0.00 C ATOM 1093 C ILE B 387 -1.120 -9.670 -2.149 1.00 0.00 C ATOM 1094 O ILE B 387 -1.164 -10.852 -2.494 1.00 0.00 O ATOM 1095 CB ILE B 387 -3.064 -8.277 -2.862 1.00 0.00 C ATOM 1096 CG1 ILE B 387 -4.546 -8.043 -2.559 1.00 0.00 C ATOM 1097 CG2 ILE B 387 -2.902 -9.129 -4.112 1.00 0.00 C ATOM 1098 CD1 ILE B 387 -5.339 -9.321 -2.396 1.00 0.00 C ATOM 0 H ILE B 387 -2.098 -7.007 -0.920 1.00 0.00 H new ATOM 0 HA ILE B 387 -3.056 -9.674 -1.217 1.00 0.00 H new ATOM 0 HB ILE B 387 -2.591 -7.311 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE B 387 -4.633 -7.452 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE B 387 -4.984 -7.453 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE B 387 -3.396 -8.640 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE B 387 -1.842 -9.250 -4.335 1.00 0.00 H new ATOM 0 HG23 ILE B 387 -3.352 -10.108 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE B 387 -6.380 -9.079 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE B 387 -5.283 -9.904 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE B 387 -4.926 -9.903 -1.572 1.00 0.00 H new ATOM 1110 N LEU B 388 -0.003 -8.951 -2.173 1.00 0.00 N ATOM 1111 CA LEU B 388 1.264 -9.522 -2.617 1.00 0.00 C ATOM 1112 C LEU B 388 1.703 -10.656 -1.696 1.00 0.00 C ATOM 1113 O LEU B 388 2.083 -11.732 -2.157 1.00 0.00 O ATOM 1114 CB LEU B 388 2.345 -8.440 -2.662 1.00 0.00 C ATOM 1115 CG LEU B 388 2.336 -7.534 -3.894 1.00 0.00 C ATOM 1116 CD1 LEU B 388 3.201 -6.306 -3.659 1.00 0.00 C ATOM 1117 CD2 LEU B 388 2.814 -8.298 -5.121 1.00 0.00 C ATOM 0 H LEU B 388 0.051 -7.972 -1.890 1.00 0.00 H new ATOM 0 HA LEU B 388 1.121 -9.927 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU B 388 2.242 -7.815 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU B 388 3.319 -8.925 -2.599 1.00 0.00 H new ATOM 0 HG LEU B 388 1.312 -7.204 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU B 388 3.183 -5.673 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU B 388 2.815 -5.747 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU B 388 4.226 -6.616 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU B 388 2.801 -7.638 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU B 388 3.829 -8.657 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU B 388 2.154 -9.147 -5.301 1.00 0.00 H new ATOM 1129 N VAL B 389 1.644 -10.408 -0.391 1.00 0.00 N ATOM 1130 CA VAL B 389 2.032 -11.410 0.595 1.00 0.00 C ATOM 1131 C VAL B 389 0.967 -12.492 0.728 1.00 0.00 C ATOM 1132 O VAL B 389 1.280 -13.670 0.901 1.00 0.00 O ATOM 1133 CB VAL B 389 2.276 -10.772 1.976 1.00 0.00 C ATOM 1134 CG1 VAL B 389 2.769 -11.816 2.967 1.00 0.00 C ATOM 1135 CG2 VAL B 389 3.265 -9.622 1.865 1.00 0.00 C ATOM 0 H VAL B 389 1.332 -9.523 0.008 1.00 0.00 H new ATOM 0 HA VAL B 389 2.960 -11.860 0.241 1.00 0.00 H new ATOM 0 HB VAL B 389 1.331 -10.373 2.344 1.00 0.00 H new ATOM 0 HG11 VAL B 389 2.936 -11.347 3.937 1.00 0.00 H new ATOM 0 HG12 VAL B 389 2.022 -12.603 3.068 1.00 0.00 H new ATOM 0 HG13 VAL B 389 3.703 -12.247 2.607 1.00 0.00 H new ATOM 0 HG21 VAL B 389 3.425 -9.183 2.850 1.00 0.00 H new ATOM 0 HG22 VAL B 389 4.213 -9.993 1.475 1.00 0.00 H new ATOM 0 HG23 VAL B 389 2.867 -8.864 1.191 1.00 0.00 H new ATOM 1145 N VAL B 390 -0.296 -12.085 0.645 1.00 0.00 N ATOM 1146 CA VAL B 390 -1.410 -13.020 0.754 1.00 0.00 C ATOM 1147 C VAL B 390 -1.488 -13.926 -0.470 1.00 0.00 C ATOM 1148 O VAL B 390 -1.503 -15.150 -0.348 1.00 0.00 O ATOM 1149 CB VAL B 390 -2.750 -12.279 0.918 1.00 0.00 C ATOM 1150 CG1 VAL B 390 -3.912 -13.192 0.556 1.00 0.00 C ATOM 1151 CG2 VAL B 390 -2.897 -11.753 2.338 1.00 0.00 C ATOM 0 H VAL B 390 -0.573 -11.114 0.503 1.00 0.00 H new ATOM 0 HA VAL B 390 -1.229 -13.627 1.641 1.00 0.00 H new ATOM 0 HB VAL B 390 -2.761 -11.428 0.237 1.00 0.00 H new ATOM 0 HG11 VAL B 390 -4.851 -12.652 0.678 1.00 0.00 H new ATOM 0 HG12 VAL B 390 -3.811 -13.516 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL B 390 -3.907 -14.064 1.211 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -3.849 -11.232 2.436 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -2.865 -12.586 3.040 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.082 -11.063 2.557 1.00 0.00 H new ATOM 1161 N ALA B 391 -1.538 -13.315 -1.649 1.00 0.00 N ATOM 1162 CA ALA B 391 -1.613 -14.066 -2.896 1.00 0.00 C ATOM 1163 C ALA B 391 -0.386 -14.954 -3.076 1.00 0.00 C ATOM 1164 O ALA B 391 -0.493 -16.090 -3.536 1.00 0.00 O ATOM 1165 CB ALA B 391 -1.758 -13.117 -4.076 1.00 0.00 C ATOM 0 H ALA B 391 -1.528 -12.302 -1.767 1.00 0.00 H new ATOM 0 HA ALA B 391 -2.492 -14.709 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA B 391 -1.813 -13.692 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA B 391 -2.668 -12.529 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA B 391 -0.897 -12.450 -4.114 1.00 0.00 H new ATOM 1171 N ALA B 392 0.778 -14.427 -2.711 1.00 0.00 N ATOM 1172 CA ALA B 392 2.025 -15.173 -2.832 1.00 0.00 C ATOM 1173 C ALA B 392 1.976 -16.459 -2.014 1.00 0.00 C ATOM 1174 O ALA B 392 2.271 -17.541 -2.523 1.00 0.00 O ATOM 1175 CB ALA B 392 3.200 -14.311 -2.394 1.00 0.00 C ATOM 0 H ALA B 392 0.884 -13.487 -2.329 1.00 0.00 H new ATOM 0 HA ALA B 392 2.158 -15.444 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA B 392 4.125 -14.880 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA B 392 3.254 -13.423 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA B 392 3.064 -14.011 -1.355 1.00 0.00 H new ATOM 1181 N VAL B 393 1.604 -16.335 -0.744 1.00 0.00 N ATOM 1182 CA VAL B 393 1.516 -17.488 0.144 1.00 0.00 C ATOM 1183 C VAL B 393 0.503 -18.503 -0.372 1.00 0.00 C ATOM 1184 O VAL B 393 0.821 -19.679 -0.551 1.00 0.00 O ATOM 1185 CB VAL B 393 1.124 -17.067 1.572 1.00 0.00 C ATOM 1186 CG1 VAL B 393 0.944 -18.290 2.459 1.00 0.00 C ATOM 1187 CG2 VAL B 393 2.165 -16.124 2.155 1.00 0.00 C ATOM 0 H VAL B 393 1.359 -15.447 -0.307 1.00 0.00 H new ATOM 0 HA VAL B 393 2.505 -17.946 0.167 1.00 0.00 H new ATOM 0 HB VAL B 393 0.173 -16.537 1.527 1.00 0.00 H new ATOM 0 HG11 VAL B 393 0.667 -17.973 3.464 1.00 0.00 H new ATOM 0 HG12 VAL B 393 0.158 -18.924 2.049 1.00 0.00 H new ATOM 0 HG13 VAL B 393 1.878 -18.851 2.500 1.00 0.00 H new ATOM 0 HG21 VAL B 393 1.871 -15.837 3.165 1.00 0.00 H new ATOM 0 HG22 VAL B 393 3.132 -16.625 2.187 1.00 0.00 H new ATOM 0 HG23 VAL B 393 2.239 -15.233 1.531 1.00 0.00 H new ATOM 1197 N THR B 394 -0.721 -18.041 -0.610 1.00 0.00 N ATOM 1198 CA THR B 394 -1.783 -18.908 -1.105 1.00 0.00 C ATOM 1199 C THR B 394 -1.390 -19.558 -2.427 1.00 0.00 C ATOM 1200 O THR B 394 -1.543 -20.768 -2.605 1.00 0.00 O ATOM 1201 CB THR B 394 -3.098 -18.131 -1.299 1.00 0.00 C ATOM 1202 OG1 THR B 394 -3.461 -17.470 -0.082 1.00 0.00 O ATOM 1203 CG2 THR B 394 -4.220 -19.065 -1.729 1.00 0.00 C ATOM 0 H THR B 394 -1.001 -17.071 -0.468 1.00 0.00 H new ATOM 0 HA THR B 394 -1.935 -19.682 -0.353 1.00 0.00 H new ATOM 0 HB THR B 394 -2.944 -17.389 -2.082 1.00 0.00 H new ATOM 0 HG1 THR B 394 -2.930 -16.653 0.017 1.00 0.00 H new ATOM 0 HG21 THR B 394 -5.139 -18.494 -1.860 1.00 0.00 H new ATOM 0 HG22 THR B 394 -3.953 -19.544 -2.671 1.00 0.00 H new ATOM 0 HG23 THR B 394 -4.372 -19.827 -0.965 1.00 0.00 H new ATOM 1211 N LEU B 395 -0.883 -18.750 -3.351 1.00 0.00 N ATOM 1212 CA LEU B 395 -0.467 -19.247 -4.658 1.00 0.00 C ATOM 1213 C LEU B 395 0.690 -20.233 -4.522 1.00 0.00 C ATOM 1214 O LEU B 395 0.786 -21.200 -5.279 1.00 0.00 O ATOM 1215 CB LEU B 395 -0.057 -18.083 -5.562 1.00 0.00 C ATOM 1216 CG LEU B 395 -1.194 -17.199 -6.073 1.00 0.00 C ATOM 1217 CD1 LEU B 395 -0.660 -15.846 -6.517 1.00 0.00 C ATOM 1218 CD2 LEU B 395 -1.930 -17.884 -7.216 1.00 0.00 C ATOM 0 H LEU B 395 -0.750 -17.747 -3.220 1.00 0.00 H new ATOM 0 HA LEU B 395 -1.313 -19.767 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU B 395 0.647 -17.455 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU B 395 0.477 -18.487 -6.422 1.00 0.00 H new ATOM 0 HG LEU B 395 -1.899 -17.039 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU B 395 -1.484 -15.230 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU B 395 -0.179 -15.350 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU B 395 0.066 -15.986 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU B 395 -2.736 -17.240 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU B 395 -1.235 -18.074 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU B 395 -2.346 -18.829 -6.866 1.00 0.00 H new ATOM 1230 N CYS B 396 1.564 -19.981 -3.554 1.00 0.00 N ATOM 1231 CA CYS B 396 2.714 -20.847 -3.318 1.00 0.00 C ATOM 1232 C CYS B 396 2.279 -22.172 -2.701 1.00 0.00 C ATOM 1233 O CYS B 396 2.732 -23.240 -3.115 1.00 0.00 O ATOM 1234 CB CYS B 396 3.723 -20.151 -2.404 1.00 0.00 C ATOM 1235 SG CYS B 396 4.825 -19.002 -3.261 1.00 0.00 S ATOM 0 H CYS B 396 1.498 -19.185 -2.920 1.00 0.00 H new ATOM 0 HA CYS B 396 3.187 -21.053 -4.278 1.00 0.00 H new ATOM 0 HB2 CYS B 396 3.181 -19.609 -1.629 1.00 0.00 H new ATOM 0 HB3 CYS B 396 4.325 -20.908 -1.902 1.00 0.00 H new ATOM 0 HG CYS B 396 4.253 -17.838 -3.352 1.00 0.00 H new ATOM 1241 N ARG B 397 1.400 -22.096 -1.707 1.00 0.00 N ATOM 1242 CA ARG B 397 0.906 -23.289 -1.030 1.00 0.00 C ATOM 1243 C ARG B 397 -0.303 -23.868 -1.760 1.00 0.00 C ATOM 1244 O ARG B 397 -0.950 -24.795 -1.273 1.00 0.00 O ATOM 1245 CB ARG B 397 0.533 -22.963 0.417 1.00 0.00 C ATOM 1246 CG ARG B 397 1.723 -22.944 1.363 1.00 0.00 C ATOM 1247 CD ARG B 397 2.706 -21.842 0.999 1.00 0.00 C ATOM 1248 NE ARG B 397 3.671 -21.596 2.067 1.00 0.00 N ATOM 1249 CZ ARG B 397 4.648 -22.439 2.384 1.00 0.00 C ATOM 1250 NH1 ARG B 397 4.788 -23.577 1.718 1.00 0.00 N ATOM 1251 NH2 ARG B 397 5.487 -22.144 3.369 1.00 0.00 N ATOM 0 H ARG B 397 1.015 -21.220 -1.353 1.00 0.00 H new ATOM 0 HA ARG B 397 1.702 -24.034 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG B 397 0.041 -21.991 0.446 1.00 0.00 H new ATOM 0 HB3 ARG B 397 -0.190 -23.697 0.771 1.00 0.00 H new ATOM 0 HG2 ARG B 397 1.374 -22.799 2.385 1.00 0.00 H new ATOM 0 HG3 ARG B 397 2.229 -23.909 1.333 1.00 0.00 H new ATOM 0 HD2 ARG B 397 3.236 -22.116 0.087 1.00 0.00 H new ATOM 0 HD3 ARG B 397 2.159 -20.924 0.786 1.00 0.00 H new ATOM 0 HE ARG B 397 3.591 -20.729 2.599 1.00 0.00 H new ATOM 0 HH11 ARG B 397 4.145 -23.807 0.960 1.00 0.00 H new ATOM 0 HH12 ARG B 397 5.539 -24.222 1.963 1.00 0.00 H new ATOM 0 HH21 ARG B 397 5.382 -21.270 3.883 1.00 0.00 H new ATOM 0 HH22 ARG B 397 6.237 -22.792 3.612 1.00 0.00 H new