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= 0.0956 USER MOD Single : A 394 THR OG1 : rot 80:sc= 0.345 USER MOD Single : A 396 CYS SG : rot 86:sc= 0.0116 USER MOD Single : B 378 SER OG : rot 180:sc= 0 USER MOD Single : B 379 TYR OH : rot -104:sc= 0.0444 USER MOD Single : B 394 THR OG1 : rot 80:sc= 0.502 USER MOD Single : B 396 CYS SG : rot 86:sc= -0.0626 USER MOD ----------------------------------------------------------------- ATOM 277 N LEU A 377 -2.612 6.334 -8.591 1.00 0.00 N ATOM 278 CA LEU A 377 -3.747 5.559 -8.103 1.00 0.00 C ATOM 279 C LEU A 377 -4.009 4.353 -9.000 1.00 0.00 C ATOM 280 O LEU A 377 -4.383 3.282 -8.523 1.00 0.00 O ATOM 281 CB LEU A 377 -4.997 6.437 -8.031 1.00 0.00 C ATOM 282 CG LEU A 377 -5.124 7.324 -6.792 1.00 0.00 C ATOM 283 CD1 LEU A 377 -6.206 8.373 -6.996 1.00 0.00 C ATOM 284 CD2 LEU A 377 -5.421 6.481 -5.561 1.00 0.00 C ATOM 0 HA LEU A 377 -3.506 5.199 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -5.019 7.076 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.874 5.791 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 377 -4.175 7.836 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -6.282 8.995 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -5.951 8.997 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -7.161 7.880 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -5.508 7.129 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.357 5.941 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -4.611 5.768 -5.404 1.00 0.00 H new ATOM 296 N SER A 378 -3.809 4.535 -10.301 1.00 0.00 N ATOM 297 CA SER A 378 -4.025 3.463 -11.265 1.00 0.00 C ATOM 298 C SER A 378 -3.330 2.181 -10.817 1.00 0.00 C ATOM 299 O SER A 378 -3.812 1.078 -11.074 1.00 0.00 O ATOM 300 CB SER A 378 -3.512 3.879 -12.645 1.00 0.00 C ATOM 301 OG SER A 378 -2.128 4.178 -12.606 1.00 0.00 O ATOM 0 H SER A 378 -3.498 5.415 -10.712 1.00 0.00 H new ATOM 0 HA SER A 378 -5.097 3.273 -11.325 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.694 3.077 -13.361 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.066 4.750 -12.995 1.00 0.00 H new ATOM 0 HG SER A 378 -1.824 4.439 -13.500 1.00 0.00 H new ATOM 307 N TYR A 379 -2.194 2.335 -10.145 1.00 0.00 N ATOM 308 CA TYR A 379 -1.430 1.191 -9.663 1.00 0.00 C ATOM 309 C TYR A 379 -2.185 0.459 -8.557 1.00 0.00 C ATOM 310 O TYR A 379 -2.398 -0.751 -8.630 1.00 0.00 O ATOM 311 CB TYR A 379 -0.063 1.644 -9.148 1.00 0.00 C ATOM 312 CG TYR A 379 0.943 0.521 -9.032 1.00 0.00 C ATOM 313 CD1 TYR A 379 1.365 -0.179 -10.155 1.00 0.00 C ATOM 314 CD2 TYR A 379 1.472 0.161 -7.798 1.00 0.00 C ATOM 315 CE1 TYR A 379 2.283 -1.207 -10.053 1.00 0.00 C ATOM 316 CE2 TYR A 379 2.392 -0.863 -7.687 1.00 0.00 C ATOM 317 CZ TYR A 379 2.794 -1.545 -8.817 1.00 0.00 C ATOM 318 OH TYR A 379 3.710 -2.566 -8.711 1.00 0.00 O ATOM 0 H TYR A 379 -1.782 3.241 -9.922 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.287 0.504 -10.497 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.333 2.408 -9.817 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -0.189 2.110 -8.171 1.00 0.00 H new ATOM 0 HD1 TYR A 379 0.969 0.085 -11.125 1.00 0.00 H new ATOM 0 HD2 TYR A 379 1.158 0.691 -6.911 1.00 0.00 H new ATOM 0 HE1 TYR A 379 2.599 -1.743 -10.936 1.00 0.00 H new ATOM 0 HE2 TYR A 379 2.795 -1.129 -6.721 1.00 0.00 H new ATOM 0 HH TYR A 379 3.276 -3.356 -8.327 1.00 0.00 H new ATOM 328 N GLY A 380 -2.589 1.203 -7.532 1.00 0.00 N ATOM 329 CA GLY A 380 -3.316 0.610 -6.425 1.00 0.00 C ATOM 330 C GLY A 380 -4.703 0.146 -6.825 1.00 0.00 C ATOM 331 O GLY A 380 -5.071 -1.005 -6.593 1.00 0.00 O ATOM 0 H GLY A 380 -2.426 2.206 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 380 -2.751 -0.237 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 380 -3.398 1.337 -5.617 1.00 0.00 H new ATOM 335 N VAL A 381 -5.475 1.046 -7.426 1.00 0.00 N ATOM 336 CA VAL A 381 -6.830 0.723 -7.858 1.00 0.00 C ATOM 337 C VAL A 381 -6.820 -0.344 -8.947 1.00 0.00 C ATOM 338 O VAL A 381 -7.500 -1.363 -8.838 1.00 0.00 O ATOM 339 CB VAL A 381 -7.563 1.971 -8.385 1.00 0.00 C ATOM 340 CG1 VAL A 381 -9.055 1.701 -8.509 1.00 0.00 C ATOM 341 CG2 VAL A 381 -7.302 3.164 -7.478 1.00 0.00 C ATOM 0 H VAL A 381 -5.186 2.004 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 381 -7.358 0.342 -6.984 1.00 0.00 H new ATOM 0 HB VAL A 381 -7.177 2.207 -9.377 1.00 0.00 H new ATOM 0 HG11 VAL A 381 -9.556 2.594 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 381 -9.219 0.876 -9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 381 -9.460 1.440 -7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 381 -7.827 4.037 -7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 381 -7.659 2.942 -6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 381 -6.232 3.369 -7.446 1.00 0.00 H new ATOM 351 N GLY A 382 -6.042 -0.103 -9.998 1.00 0.00 N ATOM 352 CA GLY A 382 -5.957 -1.053 -11.092 1.00 0.00 C ATOM 353 C GLY A 382 -5.647 -2.458 -10.616 1.00 0.00 C ATOM 354 O GLY A 382 -6.291 -3.420 -11.036 1.00 0.00 O ATOM 0 H GLY A 382 -5.469 0.733 -10.111 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -6.900 -1.058 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.185 -0.730 -11.790 1.00 0.00 H new ATOM 358 N PHE A 383 -4.655 -2.579 -9.739 1.00 0.00 N ATOM 359 CA PHE A 383 -4.258 -3.878 -9.209 1.00 0.00 C ATOM 360 C PHE A 383 -5.369 -4.477 -8.351 1.00 0.00 C ATOM 361 O PHE A 383 -5.539 -5.696 -8.299 1.00 0.00 O ATOM 362 CB PHE A 383 -2.977 -3.745 -8.383 1.00 0.00 C ATOM 363 CG PHE A 383 -2.322 -5.061 -8.077 1.00 0.00 C ATOM 364 CD1 PHE A 383 -1.963 -5.926 -9.099 1.00 0.00 C ATOM 365 CD2 PHE A 383 -2.064 -5.434 -6.768 1.00 0.00 C ATOM 366 CE1 PHE A 383 -1.361 -7.138 -8.819 1.00 0.00 C ATOM 367 CE2 PHE A 383 -1.462 -6.645 -6.482 1.00 0.00 C ATOM 368 CZ PHE A 383 -1.109 -7.498 -7.509 1.00 0.00 C ATOM 0 H PHE A 383 -4.112 -1.793 -9.381 1.00 0.00 H new ATOM 0 HA PHE A 383 -4.072 -4.545 -10.051 1.00 0.00 H new ATOM 0 HB2 PHE A 383 -2.271 -3.113 -8.922 1.00 0.00 H new ATOM 0 HB3 PHE A 383 -3.209 -3.237 -7.447 1.00 0.00 H new ATOM 0 HD1 PHE A 383 -2.156 -5.650 -10.125 1.00 0.00 H new ATOM 0 HD2 PHE A 383 -2.337 -4.770 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 383 -1.087 -7.804 -9.624 1.00 0.00 H new ATOM 0 HE2 PHE A 383 -1.268 -6.924 -5.457 1.00 0.00 H new ATOM 0 HZ PHE A 383 -0.637 -8.444 -7.289 1.00 0.00 H new ATOM 378 N PHE A 384 -6.121 -3.613 -7.679 1.00 0.00 N ATOM 379 CA PHE A 384 -7.215 -4.056 -6.822 1.00 0.00 C ATOM 380 C PHE A 384 -8.270 -4.805 -7.630 1.00 0.00 C ATOM 381 O PHE A 384 -8.664 -5.918 -7.278 1.00 0.00 O ATOM 382 CB PHE A 384 -7.854 -2.859 -6.114 1.00 0.00 C ATOM 383 CG PHE A 384 -8.452 -3.201 -4.780 1.00 0.00 C ATOM 384 CD1 PHE A 384 -9.350 -4.249 -4.656 1.00 0.00 C ATOM 385 CD2 PHE A 384 -8.116 -2.475 -3.648 1.00 0.00 C ATOM 386 CE1 PHE A 384 -9.902 -4.565 -3.430 1.00 0.00 C ATOM 387 CE2 PHE A 384 -8.665 -2.787 -2.419 1.00 0.00 C ATOM 388 CZ PHE A 384 -9.559 -3.834 -2.309 1.00 0.00 C ATOM 0 H PHE A 384 -5.993 -2.602 -7.711 1.00 0.00 H new ATOM 0 HA PHE A 384 -6.805 -4.735 -6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 384 -7.101 -2.083 -5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 384 -8.630 -2.440 -6.754 1.00 0.00 H new ATOM 0 HD1 PHE A 384 -9.621 -4.825 -5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 384 -7.417 -1.656 -3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 384 -10.602 -5.384 -3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 384 -8.395 -2.213 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 384 -9.989 -4.081 -1.349 1.00 0.00 H new ATOM 398 N LEU A 385 -8.724 -4.188 -8.715 1.00 0.00 N ATOM 399 CA LEU A 385 -9.735 -4.795 -9.575 1.00 0.00 C ATOM 400 C LEU A 385 -9.210 -6.080 -10.208 1.00 0.00 C ATOM 401 O LEU A 385 -9.872 -7.117 -10.174 1.00 0.00 O ATOM 402 CB LEU A 385 -10.161 -3.812 -10.666 1.00 0.00 C ATOM 403 CG LEU A 385 -10.331 -2.356 -10.230 1.00 0.00 C ATOM 404 CD1 LEU A 385 -11.017 -1.549 -11.320 1.00 0.00 C ATOM 405 CD2 LEU A 385 -11.117 -2.277 -8.930 1.00 0.00 C ATOM 0 H LEU A 385 -8.408 -3.268 -9.021 1.00 0.00 H new ATOM 0 HA LEU A 385 -10.600 -5.042 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -9.422 -3.846 -11.467 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -11.105 -4.156 -11.089 1.00 0.00 H new ATOM 0 HG LEU A 385 -9.342 -1.930 -10.060 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -11.129 -0.516 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -10.414 -1.578 -12.228 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -12.000 -1.974 -11.523 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -11.228 -1.234 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -12.102 -2.721 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -10.584 -2.820 -8.149 1.00 0.00 H new ATOM 417 N PHE A 386 -8.015 -6.004 -10.784 1.00 0.00 N ATOM 418 CA PHE A 386 -7.400 -7.161 -11.425 1.00 0.00 C ATOM 419 C PHE A 386 -7.160 -8.278 -10.414 1.00 0.00 C ATOM 420 O PHE A 386 -7.290 -9.460 -10.736 1.00 0.00 O ATOM 421 CB PHE A 386 -6.078 -6.763 -12.085 1.00 0.00 C ATOM 422 CG PHE A 386 -5.740 -7.587 -13.294 1.00 0.00 C ATOM 423 CD1 PHE A 386 -5.189 -8.851 -13.155 1.00 0.00 C ATOM 424 CD2 PHE A 386 -5.974 -7.099 -14.569 1.00 0.00 C ATOM 425 CE1 PHE A 386 -4.876 -9.611 -14.266 1.00 0.00 C ATOM 426 CE2 PHE A 386 -5.663 -7.854 -15.684 1.00 0.00 C ATOM 427 CZ PHE A 386 -5.115 -9.113 -15.532 1.00 0.00 C ATOM 0 H PHE A 386 -7.453 -5.154 -10.820 1.00 0.00 H new ATOM 0 HA PHE A 386 -8.084 -7.527 -12.190 1.00 0.00 H new ATOM 0 HB2 PHE A 386 -6.127 -5.713 -12.373 1.00 0.00 H new ATOM 0 HB3 PHE A 386 -5.274 -6.857 -11.355 1.00 0.00 H new ATOM 0 HD1 PHE A 386 -5.002 -9.246 -12.168 1.00 0.00 H new ATOM 0 HD2 PHE A 386 -6.405 -6.116 -14.693 1.00 0.00 H new ATOM 0 HE1 PHE A 386 -4.445 -10.594 -14.144 1.00 0.00 H new ATOM 0 HE2 PHE A 386 -5.848 -7.460 -16.673 1.00 0.00 H new ATOM 0 HZ PHE A 386 -4.874 -9.707 -16.401 1.00 0.00 H new ATOM 437 N ILE A 387 -6.808 -7.896 -9.191 1.00 0.00 N ATOM 438 CA ILE A 387 -6.550 -8.864 -8.132 1.00 0.00 C ATOM 439 C ILE A 387 -7.848 -9.490 -7.632 1.00 0.00 C ATOM 440 O ILE A 387 -7.884 -10.667 -7.271 1.00 0.00 O ATOM 441 CB ILE A 387 -5.814 -8.218 -6.945 1.00 0.00 C ATOM 442 CG1 ILE A 387 -4.320 -8.090 -7.251 1.00 0.00 C ATOM 443 CG2 ILE A 387 -6.033 -9.032 -5.678 1.00 0.00 C ATOM 444 CD1 ILE A 387 -3.616 -9.422 -7.388 1.00 0.00 C ATOM 0 H ILE A 387 -6.695 -6.922 -8.909 1.00 0.00 H new ATOM 0 HA ILE A 387 -5.917 -9.640 -8.562 1.00 0.00 H new ATOM 0 HB ILE A 387 -6.220 -7.219 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 387 -4.193 -7.524 -8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 387 -3.843 -7.516 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 387 -5.506 -8.562 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 387 -7.099 -9.076 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 387 -5.651 -10.043 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 387 -2.561 -9.255 -7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 387 -3.711 -9.981 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 387 -4.068 -9.990 -8.201 1.00 0.00 H new ATOM 456 N LEU A 388 -8.913 -8.696 -7.614 1.00 0.00 N ATOM 457 CA LEU A 388 -10.214 -9.172 -7.159 1.00 0.00 C ATOM 458 C LEU A 388 -10.731 -10.289 -8.060 1.00 0.00 C ATOM 459 O LEU A 388 -11.188 -11.327 -7.580 1.00 0.00 O ATOM 460 CB LEU A 388 -11.219 -8.019 -7.131 1.00 0.00 C ATOM 461 CG LEU A 388 -11.146 -7.094 -5.916 1.00 0.00 C ATOM 462 CD1 LEU A 388 -11.932 -5.817 -6.169 1.00 0.00 C ATOM 463 CD2 LEU A 388 -11.663 -7.804 -4.673 1.00 0.00 C ATOM 0 H LEU A 388 -8.901 -7.720 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 388 -10.096 -9.569 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 388 -11.077 -7.418 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 388 -12.224 -8.438 -7.184 1.00 0.00 H new ATOM 0 HG LEU A 388 -10.103 -6.827 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 388 -11.868 -5.171 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 388 -11.516 -5.299 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 388 -12.976 -6.064 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 388 -11.604 -7.130 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 388 -12.700 -8.102 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 388 -11.056 -8.689 -4.481 1.00 0.00 H new ATOM 475 N VAL A 389 -10.652 -10.071 -9.369 1.00 0.00 N ATOM 476 CA VAL A 389 -11.108 -11.061 -10.338 1.00 0.00 C ATOM 477 C VAL A 389 -10.119 -12.216 -10.450 1.00 0.00 C ATOM 478 O VAL A 389 -10.514 -13.374 -10.590 1.00 0.00 O ATOM 479 CB VAL A 389 -11.308 -10.434 -11.730 1.00 0.00 C ATOM 480 CG1 VAL A 389 -11.862 -11.462 -12.705 1.00 0.00 C ATOM 481 CG2 VAL A 389 -12.224 -9.223 -11.641 1.00 0.00 C ATOM 0 H VAL A 389 -10.277 -9.218 -9.783 1.00 0.00 H new ATOM 0 HA VAL A 389 -12.065 -11.439 -9.978 1.00 0.00 H new ATOM 0 HB VAL A 389 -10.339 -10.102 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 389 -11.997 -11.000 -13.683 1.00 0.00 H new ATOM 0 HG12 VAL A 389 -11.165 -12.296 -12.790 1.00 0.00 H new ATOM 0 HG13 VAL A 389 -12.822 -11.828 -12.341 1.00 0.00 H new ATOM 0 HG21 VAL A 389 -12.355 -8.792 -12.634 1.00 0.00 H new ATOM 0 HG22 VAL A 389 -13.194 -9.528 -11.247 1.00 0.00 H new ATOM 0 HG23 VAL A 389 -11.781 -8.480 -10.978 1.00 0.00 H new ATOM 491 N VAL A 390 -8.831 -11.894 -10.387 1.00 0.00 N ATOM 492 CA VAL A 390 -7.785 -12.904 -10.480 1.00 0.00 C ATOM 493 C VAL A 390 -7.765 -13.791 -9.240 1.00 0.00 C ATOM 494 O VAL A 390 -7.838 -15.016 -9.339 1.00 0.00 O ATOM 495 CB VAL A 390 -6.397 -12.260 -10.659 1.00 0.00 C ATOM 496 CG1 VAL A 390 -5.299 -13.244 -10.284 1.00 0.00 C ATOM 497 CG2 VAL A 390 -6.218 -11.769 -12.087 1.00 0.00 C ATOM 0 H VAL A 390 -8.487 -10.941 -10.272 1.00 0.00 H new ATOM 0 HA VAL A 390 -8.011 -13.513 -11.355 1.00 0.00 H new ATOM 0 HB VAL A 390 -6.326 -11.401 -9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.326 -12.771 -10.417 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.418 -13.543 -9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.365 -14.124 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.232 -11.317 -12.195 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -6.309 -12.610 -12.775 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -6.984 -11.028 -12.316 1.00 0.00 H new ATOM 507 N ALA A 391 -7.667 -13.164 -8.072 1.00 0.00 N ATOM 508 CA ALA A 391 -7.641 -13.896 -6.812 1.00 0.00 C ATOM 509 C ALA A 391 -8.922 -14.701 -6.618 1.00 0.00 C ATOM 510 O ALA A 391 -8.883 -15.849 -6.175 1.00 0.00 O ATOM 511 CB ALA A 391 -7.438 -12.937 -5.649 1.00 0.00 C ATOM 0 H ALA A 391 -7.604 -12.151 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.805 -14.595 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -7.421 -13.497 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -6.492 -12.409 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.255 -12.216 -5.625 1.00 0.00 H new ATOM 517 N ALA A 392 -10.055 -14.092 -6.952 1.00 0.00 N ATOM 518 CA ALA A 392 -11.346 -14.753 -6.816 1.00 0.00 C ATOM 519 C ALA A 392 -11.384 -16.054 -7.611 1.00 0.00 C ATOM 520 O ALA A 392 -11.748 -17.105 -7.085 1.00 0.00 O ATOM 521 CB ALA A 392 -12.465 -13.825 -7.265 1.00 0.00 C ATOM 0 H ALA A 392 -10.104 -13.142 -7.319 1.00 0.00 H new ATOM 0 HA ALA A 392 -11.492 -14.997 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 392 -13.424 -14.333 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 392 -12.460 -12.925 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 392 -12.314 -13.552 -8.309 1.00 0.00 H new ATOM 527 N VAL A 393 -11.007 -15.975 -8.883 1.00 0.00 N ATOM 528 CA VAL A 393 -10.997 -17.146 -9.752 1.00 0.00 C ATOM 529 C VAL A 393 -9.998 -18.187 -9.260 1.00 0.00 C ATOM 530 O VAL A 393 -10.351 -19.346 -9.037 1.00 0.00 O ATOM 531 CB VAL A 393 -10.651 -16.765 -11.204 1.00 0.00 C ATOM 532 CG1 VAL A 393 -10.586 -18.006 -12.081 1.00 0.00 C ATOM 533 CG2 VAL A 393 -11.664 -15.769 -11.749 1.00 0.00 C ATOM 0 H VAL A 393 -10.704 -15.112 -9.335 1.00 0.00 H new ATOM 0 HA VAL A 393 -12.001 -17.569 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 393 -9.669 -16.292 -11.213 1.00 0.00 H new ATOM 0 HG11 VAL A 393 -10.340 -17.717 -13.103 1.00 0.00 H new ATOM 0 HG12 VAL A 393 -9.819 -18.681 -11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 393 -11.552 -18.511 -12.069 1.00 0.00 H new ATOM 0 HG21 VAL A 393 -11.404 -15.511 -12.776 1.00 0.00 H new ATOM 0 HG22 VAL A 393 -12.659 -16.213 -11.727 1.00 0.00 H new ATOM 0 HG23 VAL A 393 -11.655 -14.868 -11.135 1.00 0.00 H new ATOM 543 N THR A 394 -8.748 -17.767 -9.091 1.00 0.00 N ATOM 544 CA THR A 394 -7.697 -18.663 -8.626 1.00 0.00 C ATOM 545 C THR A 394 -8.072 -19.306 -7.296 1.00 0.00 C ATOM 546 O THR A 394 -7.835 -20.496 -7.081 1.00 0.00 O ATOM 547 CB THR A 394 -6.357 -17.921 -8.464 1.00 0.00 C ATOM 548 OG1 THR A 394 -5.970 -17.332 -9.711 1.00 0.00 O ATOM 549 CG2 THR A 394 -5.268 -18.869 -7.985 1.00 0.00 C ATOM 0 H THR A 394 -8.439 -16.811 -9.269 1.00 0.00 H new ATOM 0 HA THR A 394 -7.585 -19.439 -9.383 1.00 0.00 H new ATOM 0 HB THR A 394 -6.488 -17.138 -7.718 1.00 0.00 H new ATOM 0 HG1 THR A 394 -6.469 -16.500 -9.849 1.00 0.00 H new ATOM 0 HG21 THR A 394 -4.331 -18.322 -7.878 1.00 0.00 H new ATOM 0 HG22 THR A 394 -5.553 -19.293 -7.022 1.00 0.00 H new ATOM 0 HG23 THR A 394 -5.139 -19.672 -8.711 1.00 0.00 H new ATOM 557 N LEU A 395 -8.660 -18.514 -6.406 1.00 0.00 N ATOM 558 CA LEU A 395 -9.070 -19.008 -5.095 1.00 0.00 C ATOM 559 C LEU A 395 -10.271 -19.939 -5.215 1.00 0.00 C ATOM 560 O LEU A 395 -10.385 -20.920 -4.479 1.00 0.00 O ATOM 561 CB LEU A 395 -9.408 -17.837 -4.171 1.00 0.00 C ATOM 562 CG LEU A 395 -8.219 -17.026 -3.652 1.00 0.00 C ATOM 563 CD1 LEU A 395 -8.674 -15.652 -3.185 1.00 0.00 C ATOM 564 CD2 LEU A 395 -7.518 -17.770 -2.525 1.00 0.00 C ATOM 0 H LEU A 395 -8.864 -17.528 -6.568 1.00 0.00 H new ATOM 0 HA LEU A 395 -8.239 -19.571 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 395 -10.078 -17.162 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 395 -9.960 -18.224 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 395 -7.509 -16.893 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 395 -7.815 -15.089 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 395 -9.130 -15.117 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 395 -9.403 -15.763 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 395 -6.675 -17.179 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 395 -8.219 -17.934 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 395 -7.158 -18.731 -2.892 1.00 0.00 H new ATOM 576 N CYS A 396 -11.164 -19.628 -6.148 1.00 0.00 N ATOM 577 CA CYS A 396 -12.357 -20.438 -6.366 1.00 0.00 C ATOM 578 C CYS A 396 -11.996 -21.780 -6.995 1.00 0.00 C ATOM 579 O CYS A 396 -12.539 -22.819 -6.620 1.00 0.00 O ATOM 580 CB CYS A 396 -13.349 -19.693 -7.259 1.00 0.00 C ATOM 581 SG CYS A 396 -14.373 -18.488 -6.382 1.00 0.00 S ATOM 0 H CYS A 396 -11.084 -18.820 -6.766 1.00 0.00 H new ATOM 0 HA CYS A 396 -12.821 -20.624 -5.397 1.00 0.00 H new ATOM 0 HB2 CYS A 396 -12.797 -19.180 -8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 396 -13.999 -20.420 -7.746 1.00 0.00 H new ATOM 0 HG CYS A 396 -13.737 -17.357 -6.299 1.00 0.00 H new ATOM 587 N ARG A 397 -11.077 -21.749 -7.955 1.00 0.00 N ATOM 588 CA ARG A 397 -10.645 -22.962 -8.638 1.00 0.00 C ATOM 589 C ARG A 397 -9.899 -23.889 -7.682 1.00 0.00 C ATOM 590 O ARG A 397 -9.821 -25.097 -7.906 1.00 0.00 O ATOM 591 CB ARG A 397 -9.750 -22.611 -9.828 1.00 0.00 C ATOM 592 CG ARG A 397 -10.401 -21.662 -10.821 1.00 0.00 C ATOM 593 CD ARG A 397 -11.088 -22.418 -11.947 1.00 0.00 C ATOM 594 NE ARG A 397 -11.519 -21.528 -13.021 1.00 0.00 N ATOM 595 CZ ARG A 397 -11.963 -21.957 -14.198 1.00 0.00 C ATOM 596 NH1 ARG A 397 -12.033 -23.256 -14.450 1.00 0.00 N ATOM 597 NH2 ARG A 397 -12.337 -21.084 -15.125 1.00 0.00 N ATOM 0 H ARG A 397 -10.618 -20.897 -8.277 1.00 0.00 H new ATOM 0 HA ARG A 397 -11.533 -23.481 -9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 397 -8.829 -22.161 -9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 397 -9.471 -23.529 -10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 397 -11.129 -21.037 -10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 397 -9.646 -20.995 -11.237 1.00 0.00 H new ATOM 0 HD2 ARG A 397 -10.406 -23.167 -12.349 1.00 0.00 H new ATOM 0 HD3 ARG A 397 -11.951 -22.952 -11.551 1.00 0.00 H new ATOM 0 HE ARG A 397 -11.477 -20.522 -12.859 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -11.746 -23.929 -13.740 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -12.374 -23.582 -15.354 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -12.284 -20.083 -14.934 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -12.678 -21.414 -16.028 1.00 0.00 H new ATOM 912 N ILE B 376 -6.914 8.066 -0.043 1.00 0.00 N ATOM 913 CA ILE B 376 -7.540 7.072 -0.906 1.00 0.00 C ATOM 914 C ILE B 376 -6.514 6.071 -1.425 1.00 0.00 C ATOM 915 O ILE B 376 -6.859 4.950 -1.801 1.00 0.00 O ATOM 916 CB ILE B 376 -8.247 7.733 -2.104 1.00 0.00 C ATOM 917 CG1 ILE B 376 -8.959 9.013 -1.662 1.00 0.00 C ATOM 918 CG2 ILE B 376 -9.235 6.763 -2.736 1.00 0.00 C ATOM 919 CD1 ILE B 376 -9.809 9.638 -2.746 1.00 0.00 C ATOM 0 HA ILE B 376 -8.280 6.549 -0.301 1.00 0.00 H new ATOM 0 HB ILE B 376 -7.497 7.996 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE B 376 -9.589 8.790 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE B 376 -8.215 9.738 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE B 376 -9.727 7.244 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE B 376 -8.704 5.876 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE B 376 -9.983 6.473 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE B 376 -10.283 10.541 -2.361 1.00 0.00 H new ATOM 0 HD12 ILE B 376 -9.181 9.893 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE B 376 -10.577 8.931 -3.060 1.00 0.00 H new ATOM 931 N LEU B 377 -5.251 6.481 -1.441 1.00 0.00 N ATOM 932 CA LEU B 377 -4.172 5.619 -1.912 1.00 0.00 C ATOM 933 C LEU B 377 -4.001 4.411 -0.996 1.00 0.00 C ATOM 934 O LEU B 377 -3.704 3.308 -1.456 1.00 0.00 O ATOM 935 CB LEU B 377 -2.861 6.404 -1.988 1.00 0.00 C ATOM 936 CG LEU B 377 -2.662 7.257 -3.242 1.00 0.00 C ATOM 937 CD1 LEU B 377 -1.491 8.210 -3.059 1.00 0.00 C ATOM 938 CD2 LEU B 377 -2.446 6.372 -4.460 1.00 0.00 C ATOM 0 H LEU B 377 -4.948 7.405 -1.133 1.00 0.00 H new ATOM 0 HA LEU B 377 -4.434 5.263 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU B 377 -2.800 7.055 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU B 377 -2.033 5.698 -1.918 1.00 0.00 H new ATOM 0 HG LEU B 377 -3.563 7.848 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU B 377 -1.365 8.809 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU B 377 -1.686 8.867 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU B 377 -0.582 7.638 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU B 377 -2.306 6.996 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU B 377 -1.561 5.754 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU B 377 -3.316 5.731 -4.603 1.00 0.00 H new ATOM 950 N SER B 378 -4.193 4.626 0.301 1.00 0.00 N ATOM 951 CA SER B 378 -4.059 3.556 1.282 1.00 0.00 C ATOM 952 C SER B 378 -4.843 2.321 0.849 1.00 0.00 C ATOM 953 O SER B 378 -4.443 1.189 1.124 1.00 0.00 O ATOM 954 CB SER B 378 -4.546 4.027 2.653 1.00 0.00 C ATOM 955 OG SER B 378 -5.925 4.350 2.622 1.00 0.00 O ATOM 0 H SER B 378 -4.442 5.532 0.697 1.00 0.00 H new ATOM 0 HA SER B 378 -3.004 3.291 1.351 1.00 0.00 H new ATOM 0 HB2 SER B 378 -4.369 3.246 3.393 1.00 0.00 H new ATOM 0 HB3 SER B 378 -3.972 4.899 2.966 1.00 0.00 H new ATOM 0 HG SER B 378 -6.212 4.647 3.511 1.00 0.00 H new ATOM 961 N TYR B 379 -5.962 2.547 0.169 1.00 0.00 N ATOM 962 CA TYR B 379 -6.805 1.454 -0.301 1.00 0.00 C ATOM 963 C TYR B 379 -6.101 0.654 -1.393 1.00 0.00 C ATOM 964 O TYR B 379 -5.972 -0.566 -1.299 1.00 0.00 O ATOM 965 CB TYR B 379 -8.134 1.997 -0.828 1.00 0.00 C ATOM 966 CG TYR B 379 -9.223 0.952 -0.918 1.00 0.00 C ATOM 967 CD1 TYR B 379 -9.695 0.312 0.221 1.00 0.00 C ATOM 968 CD2 TYR B 379 -9.779 0.604 -2.143 1.00 0.00 C ATOM 969 CE1 TYR B 379 -10.689 -0.645 0.142 1.00 0.00 C ATOM 970 CE2 TYR B 379 -10.774 -0.350 -2.231 1.00 0.00 C ATOM 971 CZ TYR B 379 -11.225 -0.972 -1.085 1.00 0.00 C ATOM 972 OH TYR B 379 -12.216 -1.923 -1.168 1.00 0.00 O ATOM 0 H TYR B 379 -6.306 3.477 -0.069 1.00 0.00 H new ATOM 0 HA TYR B 379 -7.000 0.791 0.542 1.00 0.00 H new ATOM 0 HB2 TYR B 379 -8.470 2.805 -0.178 1.00 0.00 H new ATOM 0 HB3 TYR B 379 -7.974 2.429 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR B 379 -9.278 0.566 1.184 1.00 0.00 H new ATOM 0 HD2 TYR B 379 -9.427 1.088 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR B 379 -11.044 -1.134 1.037 1.00 0.00 H new ATOM 0 HE2 TYR B 379 -11.196 -0.607 -3.191 1.00 0.00 H new ATOM 0 HH TYR B 379 -11.837 -2.762 -1.505 1.00 0.00 H new ATOM 982 N GLY B 380 -5.647 1.352 -2.429 1.00 0.00 N ATOM 983 CA GLY B 380 -4.962 0.692 -3.525 1.00 0.00 C ATOM 984 C GLY B 380 -3.609 0.142 -3.115 1.00 0.00 C ATOM 985 O GLY B 380 -3.321 -1.036 -3.324 1.00 0.00 O ATOM 0 H GLY B 380 -5.741 2.363 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY B 380 -5.583 -0.121 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY B 380 -4.831 1.398 -4.345 1.00 0.00 H new ATOM 989 N VAL B 381 -2.777 0.998 -2.531 1.00 0.00 N ATOM 990 CA VAL B 381 -1.447 0.592 -2.092 1.00 0.00 C ATOM 991 C VAL B 381 -1.529 -0.452 -0.985 1.00 0.00 C ATOM 992 O VAL B 381 -0.921 -1.518 -1.075 1.00 0.00 O ATOM 993 CB VAL B 381 -0.631 1.797 -1.587 1.00 0.00 C ATOM 994 CG1 VAL B 381 0.839 1.429 -1.458 1.00 0.00 C ATOM 995 CG2 VAL B 381 -0.811 2.989 -2.515 1.00 0.00 C ATOM 0 H VAL B 381 -3.000 1.977 -2.351 1.00 0.00 H new ATOM 0 HA VAL B 381 -0.946 0.160 -2.958 1.00 0.00 H new ATOM 0 HB VAL B 381 -1.000 2.076 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL B 381 1.400 2.292 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL B 381 0.948 0.607 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL B 381 1.224 1.124 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL B 381 -0.228 3.831 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL B 381 -0.470 2.725 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL B 381 -1.865 3.266 -2.552 1.00 0.00 H new ATOM 1005 N GLY B 382 -2.287 -0.139 0.062 1.00 0.00 N ATOM 1006 CA GLY B 382 -2.436 -1.061 1.172 1.00 0.00 C ATOM 1007 C GLY B 382 -2.845 -2.450 0.722 1.00 0.00 C ATOM 1008 O GLY B 382 -2.270 -3.447 1.161 1.00 0.00 O ATOM 0 H GLY B 382 -2.800 0.737 0.161 1.00 0.00 H new ATOM 0 HA2 GLY B 382 -1.495 -1.122 1.718 1.00 0.00 H new ATOM 0 HA3 GLY B 382 -3.182 -0.673 1.865 1.00 0.00 H new ATOM 1012 N PHE B 383 -3.841 -2.517 -0.154 1.00 0.00 N ATOM 1013 CA PHE B 383 -4.328 -3.794 -0.662 1.00 0.00 C ATOM 1014 C PHE B 383 -3.261 -4.487 -1.505 1.00 0.00 C ATOM 1015 O PHE B 383 -3.178 -5.715 -1.534 1.00 0.00 O ATOM 1016 CB PHE B 383 -5.596 -3.587 -1.493 1.00 0.00 C ATOM 1017 CG PHE B 383 -6.331 -4.861 -1.794 1.00 0.00 C ATOM 1018 CD1 PHE B 383 -6.744 -5.697 -0.768 1.00 0.00 C ATOM 1019 CD2 PHE B 383 -6.609 -5.225 -3.101 1.00 0.00 C ATOM 1020 CE1 PHE B 383 -7.421 -6.870 -1.041 1.00 0.00 C ATOM 1021 CE2 PHE B 383 -7.286 -6.397 -3.380 1.00 0.00 C ATOM 1022 CZ PHE B 383 -7.692 -7.221 -2.349 1.00 0.00 C ATOM 0 H PHE B 383 -4.327 -1.702 -0.527 1.00 0.00 H new ATOM 0 HA PHE B 383 -4.562 -4.430 0.192 1.00 0.00 H new ATOM 0 HB2 PHE B 383 -6.263 -2.909 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE B 383 -5.330 -3.100 -2.431 1.00 0.00 H new ATOM 0 HD1 PHE B 383 -6.534 -5.428 0.257 1.00 0.00 H new ATOM 0 HD2 PHE B 383 -6.293 -4.585 -3.912 1.00 0.00 H new ATOM 0 HE1 PHE B 383 -7.738 -7.512 -0.232 1.00 0.00 H new ATOM 0 HE2 PHE B 383 -7.497 -6.668 -4.404 1.00 0.00 H new ATOM 0 HZ PHE B 383 -8.220 -8.138 -2.565 1.00 0.00 H new ATOM 1032 N PHE B 384 -2.448 -3.690 -2.190 1.00 0.00 N ATOM 1033 CA PHE B 384 -1.387 -4.226 -3.036 1.00 0.00 C ATOM 1034 C PHE B 384 -0.386 -5.028 -2.210 1.00 0.00 C ATOM 1035 O PHE B 384 -0.069 -6.172 -2.537 1.00 0.00 O ATOM 1036 CB PHE B 384 -0.668 -3.091 -3.768 1.00 0.00 C ATOM 1037 CG PHE B 384 -0.090 -3.503 -5.091 1.00 0.00 C ATOM 1038 CD1 PHE B 384 0.739 -4.609 -5.186 1.00 0.00 C ATOM 1039 CD2 PHE B 384 -0.375 -2.784 -6.241 1.00 0.00 C ATOM 1040 CE1 PHE B 384 1.273 -4.990 -6.403 1.00 0.00 C ATOM 1041 CE2 PHE B 384 0.155 -3.160 -7.460 1.00 0.00 C ATOM 1042 CZ PHE B 384 0.980 -4.265 -7.542 1.00 0.00 C ATOM 0 H PHE B 384 -2.503 -2.672 -2.176 1.00 0.00 H new ATOM 0 HA PHE B 384 -1.842 -4.892 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE B 384 -1.368 -2.270 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE B 384 0.132 -2.710 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE B 384 0.971 -5.180 -4.299 1.00 0.00 H new ATOM 0 HD2 PHE B 384 -1.019 -1.919 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE B 384 1.919 -5.854 -6.463 1.00 0.00 H new ATOM 0 HE2 PHE B 384 -0.075 -2.591 -8.348 1.00 0.00 H new ATOM 0 HZ PHE B 384 1.395 -4.561 -8.494 1.00 0.00 H new ATOM 1052 N LEU B 385 0.109 -4.420 -1.137 1.00 0.00 N ATOM 1053 CA LEU B 385 1.075 -5.077 -0.263 1.00 0.00 C ATOM 1054 C LEU B 385 0.466 -6.315 0.388 1.00 0.00 C ATOM 1055 O LEU B 385 1.060 -7.393 0.371 1.00 0.00 O ATOM 1056 CB LEU B 385 1.559 -4.105 0.815 1.00 0.00 C ATOM 1057 CG LEU B 385 1.828 -2.672 0.355 1.00 0.00 C ATOM 1058 CD1 LEU B 385 2.563 -1.894 1.436 1.00 0.00 C ATOM 1059 CD2 LEU B 385 2.625 -2.669 -0.942 1.00 0.00 C ATOM 0 H LEU B 385 -0.143 -3.474 -0.852 1.00 0.00 H new ATOM 0 HA LEU B 385 1.925 -5.390 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU B 385 0.814 -4.076 1.611 1.00 0.00 H new ATOM 0 HB3 LEU B 385 2.475 -4.504 1.250 1.00 0.00 H new ATOM 0 HG LEU B 385 0.871 -2.184 0.171 1.00 0.00 H new ATOM 0 HD11 LEU B 385 2.746 -0.876 1.091 1.00 0.00 H new ATOM 0 HD12 LEU B 385 1.956 -1.867 2.341 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.514 -2.381 1.651 1.00 0.00 H new ATOM 0 HD21 LEU B 385 2.807 -1.641 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU B 385 3.578 -3.175 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU B 385 2.061 -3.189 -1.717 1.00 0.00 H new ATOM 1071 N PHE B 386 -0.722 -6.153 0.960 1.00 0.00 N ATOM 1072 CA PHE B 386 -1.412 -7.258 1.616 1.00 0.00 C ATOM 1073 C PHE B 386 -1.725 -8.371 0.620 1.00 0.00 C ATOM 1074 O PHE B 386 -1.674 -9.553 0.959 1.00 0.00 O ATOM 1075 CB PHE B 386 -2.705 -6.764 2.269 1.00 0.00 C ATOM 1076 CG PHE B 386 -3.095 -7.545 3.491 1.00 0.00 C ATOM 1077 CD1 PHE B 386 -3.725 -8.773 3.372 1.00 0.00 C ATOM 1078 CD2 PHE B 386 -2.832 -7.051 4.758 1.00 0.00 C ATOM 1079 CE1 PHE B 386 -4.086 -9.494 4.495 1.00 0.00 C ATOM 1080 CE2 PHE B 386 -3.190 -7.767 5.885 1.00 0.00 C ATOM 1081 CZ PHE B 386 -3.817 -8.991 5.753 1.00 0.00 C ATOM 0 H PHE B 386 -1.227 -5.267 0.983 1.00 0.00 H new ATOM 0 HA PHE B 386 -0.754 -7.658 2.387 1.00 0.00 H new ATOM 0 HB2 PHE B 386 -2.588 -5.715 2.540 1.00 0.00 H new ATOM 0 HB3 PHE B 386 -3.514 -6.817 1.540 1.00 0.00 H new ATOM 0 HD1 PHE B 386 -3.937 -9.172 2.391 1.00 0.00 H new ATOM 0 HD2 PHE B 386 -2.341 -6.095 4.867 1.00 0.00 H new ATOM 0 HE1 PHE B 386 -4.578 -10.450 4.389 1.00 0.00 H new ATOM 0 HE2 PHE B 386 -2.980 -7.370 6.867 1.00 0.00 H new ATOM 0 HZ PHE B 386 -4.096 -9.553 6.632 1.00 0.00 H new ATOM 1091 N ILE B 387 -2.050 -7.983 -0.609 1.00 0.00 N ATOM 1092 CA ILE B 387 -2.371 -8.948 -1.654 1.00 0.00 C ATOM 1093 C ILE B 387 -1.118 -9.667 -2.141 1.00 0.00 C ATOM 1094 O ILE B 387 -1.161 -10.849 -2.484 1.00 0.00 O ATOM 1095 CB ILE B 387 -3.060 -8.270 -2.853 1.00 0.00 C ATOM 1096 CG1 ILE B 387 -4.543 -8.043 -2.555 1.00 0.00 C ATOM 1097 CG2 ILE B 387 -2.889 -9.113 -4.108 1.00 0.00 C ATOM 1098 CD1 ILE B 387 -5.331 -9.325 -2.396 1.00 0.00 C ATOM 0 H ILE B 387 -2.098 -7.008 -0.905 1.00 0.00 H new ATOM 0 HA ILE B 387 -3.056 -9.674 -1.215 1.00 0.00 H new ATOM 0 HB ILE B 387 -2.591 -7.301 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE B 387 -4.636 -7.454 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE B 387 -4.981 -7.454 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE B 387 -3.381 -8.621 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE B 387 -1.827 -9.228 -4.327 1.00 0.00 H new ATOM 0 HG23 ILE B 387 -3.336 -10.095 -3.950 1.00 0.00 H new ATOM 0 HD11 ILE B 387 -6.374 -9.087 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE B 387 -5.269 -9.907 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE B 387 -4.918 -9.906 -1.571 1.00 0.00 H new ATOM 1110 N LEU B 388 -0.002 -8.947 -2.168 1.00 0.00 N ATOM 1111 CA LEU B 388 1.266 -9.516 -2.612 1.00 0.00 C ATOM 1112 C LEU B 388 1.705 -10.651 -1.692 1.00 0.00 C ATOM 1113 O LEU B 388 2.091 -11.725 -2.153 1.00 0.00 O ATOM 1114 CB LEU B 388 2.346 -8.434 -2.658 1.00 0.00 C ATOM 1115 CG LEU B 388 2.336 -7.528 -3.889 1.00 0.00 C ATOM 1116 CD1 LEU B 388 3.222 -6.312 -3.665 1.00 0.00 C ATOM 1117 CD2 LEU B 388 2.786 -8.298 -5.122 1.00 0.00 C ATOM 0 H LEU B 388 0.051 -7.968 -1.888 1.00 0.00 H new ATOM 0 HA LEU B 388 1.123 -9.920 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU B 388 2.244 -7.809 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU B 388 3.320 -8.919 -2.596 1.00 0.00 H new ATOM 0 HG LEU B 388 1.315 -7.183 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU B 388 3.202 -5.679 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU B 388 2.855 -5.747 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU B 388 4.245 -6.637 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU B 388 2.773 -7.637 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU B 388 3.798 -8.673 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU B 388 2.111 -9.136 -5.294 1.00 0.00 H new ATOM 1129 N VAL B 389 1.642 -10.405 -0.387 1.00 0.00 N ATOM 1130 CA VAL B 389 2.030 -11.407 0.599 1.00 0.00 C ATOM 1131 C VAL B 389 0.968 -12.492 0.727 1.00 0.00 C ATOM 1132 O VAL B 389 1.285 -13.671 0.889 1.00 0.00 O ATOM 1133 CB VAL B 389 2.268 -10.771 1.982 1.00 0.00 C ATOM 1134 CG1 VAL B 389 2.762 -11.814 2.972 1.00 0.00 C ATOM 1135 CG2 VAL B 389 3.253 -9.617 1.875 1.00 0.00 C ATOM 0 H VAL B 389 1.326 -9.521 0.012 1.00 0.00 H new ATOM 0 HA VAL B 389 2.960 -11.853 0.247 1.00 0.00 H new ATOM 0 HB VAL B 389 1.320 -10.377 2.349 1.00 0.00 H new ATOM 0 HG11 VAL B 389 2.924 -11.346 3.943 1.00 0.00 H new ATOM 0 HG12 VAL B 389 2.017 -12.604 3.070 1.00 0.00 H new ATOM 0 HG13 VAL B 389 3.699 -12.241 2.614 1.00 0.00 H new ATOM 0 HG21 VAL B 389 3.409 -9.179 2.861 1.00 0.00 H new ATOM 0 HG22 VAL B 389 4.203 -9.984 1.486 1.00 0.00 H new ATOM 0 HG23 VAL B 389 2.854 -8.859 1.201 1.00 0.00 H new ATOM 1145 N VAL B 390 -0.296 -12.087 0.653 1.00 0.00 N ATOM 1146 CA VAL B 390 -1.407 -13.026 0.758 1.00 0.00 C ATOM 1147 C VAL B 390 -1.483 -13.928 -0.468 1.00 0.00 C ATOM 1148 O VAL B 390 -1.495 -15.153 -0.350 1.00 0.00 O ATOM 1149 CB VAL B 390 -2.750 -12.290 0.924 1.00 0.00 C ATOM 1150 CG1 VAL B 390 -3.909 -13.205 0.562 1.00 0.00 C ATOM 1151 CG2 VAL B 390 -2.898 -11.765 2.344 1.00 0.00 C ATOM 0 H VAL B 390 -0.576 -11.115 0.521 1.00 0.00 H new ATOM 0 HA VAL B 390 -1.223 -13.636 1.643 1.00 0.00 H new ATOM 0 HB VAL B 390 -2.764 -11.439 0.243 1.00 0.00 H new ATOM 0 HG11 VAL B 390 -4.849 -12.668 0.685 1.00 0.00 H new ATOM 0 HG12 VAL B 390 -3.808 -13.527 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL B 390 -3.901 -14.078 1.215 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -3.852 -11.248 2.443 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -2.862 -12.598 3.046 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.086 -11.072 2.562 1.00 0.00 H new ATOM 1161 N ALA B 391 -1.533 -13.314 -1.646 1.00 0.00 N ATOM 1162 CA ALA B 391 -1.605 -14.062 -2.895 1.00 0.00 C ATOM 1163 C ALA B 391 -0.378 -14.950 -3.074 1.00 0.00 C ATOM 1164 O ALA B 391 -0.485 -16.087 -3.532 1.00 0.00 O ATOM 1165 CB ALA B 391 -1.747 -13.110 -4.073 1.00 0.00 C ATOM 0 H ALA B 391 -1.525 -12.301 -1.761 1.00 0.00 H new ATOM 0 HA ALA B 391 -2.484 -14.705 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA B 391 -1.800 -13.682 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA B 391 -2.657 -12.522 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA B 391 -0.886 -12.443 -4.107 1.00 0.00 H new ATOM 1171 N ALA B 392 0.786 -14.422 -2.712 1.00 0.00 N ATOM 1172 CA ALA B 392 2.033 -15.167 -2.832 1.00 0.00 C ATOM 1173 C ALA B 392 1.982 -16.458 -2.022 1.00 0.00 C ATOM 1174 O ALA B 392 2.278 -17.537 -2.536 1.00 0.00 O ATOM 1175 CB ALA B 392 3.207 -14.308 -2.385 1.00 0.00 C ATOM 0 H ALA B 392 0.892 -13.481 -2.333 1.00 0.00 H new ATOM 0 HA ALA B 392 2.169 -15.432 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA B 392 4.132 -14.877 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA B 392 3.264 -13.416 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA B 392 3.067 -14.014 -1.345 1.00 0.00 H new ATOM 1181 N VAL B 393 1.604 -16.341 -0.753 1.00 0.00 N ATOM 1182 CA VAL B 393 1.513 -17.499 0.128 1.00 0.00 C ATOM 1183 C VAL B 393 0.486 -18.502 -0.387 1.00 0.00 C ATOM 1184 O VAL B 393 0.794 -19.679 -0.582 1.00 0.00 O ATOM 1185 CB VAL B 393 1.134 -17.085 1.562 1.00 0.00 C ATOM 1186 CG1 VAL B 393 0.980 -18.311 2.449 1.00 0.00 C ATOM 1187 CG2 VAL B 393 2.174 -16.132 2.132 1.00 0.00 C ATOM 0 H VAL B 393 1.356 -15.455 -0.312 1.00 0.00 H new ATOM 0 HA VAL B 393 2.498 -17.965 0.140 1.00 0.00 H new ATOM 0 HB VAL B 393 0.176 -16.566 1.531 1.00 0.00 H new ATOM 0 HG11 VAL B 393 0.712 -17.999 3.458 1.00 0.00 H new ATOM 0 HG12 VAL B 393 0.196 -18.954 2.048 1.00 0.00 H new ATOM 0 HG13 VAL B 393 1.921 -18.860 2.477 1.00 0.00 H new ATOM 0 HG21 VAL B 393 1.891 -15.849 3.146 1.00 0.00 H new ATOM 0 HG22 VAL B 393 3.147 -16.624 2.150 1.00 0.00 H new ATOM 0 HG23 VAL B 393 2.230 -15.240 1.509 1.00 0.00 H new ATOM 1197 N THR B 394 -0.736 -18.029 -0.607 1.00 0.00 N ATOM 1198 CA THR B 394 -1.809 -18.884 -1.099 1.00 0.00 C ATOM 1199 C THR B 394 -1.428 -19.540 -2.422 1.00 0.00 C ATOM 1200 O THR B 394 -1.609 -20.744 -2.604 1.00 0.00 O ATOM 1201 CB THR B 394 -3.116 -18.091 -1.291 1.00 0.00 C ATOM 1202 OG1 THR B 394 -3.437 -17.379 -0.091 1.00 0.00 O ATOM 1203 CG2 THR B 394 -4.264 -19.020 -1.657 1.00 0.00 C ATOM 0 H THR B 394 -1.008 -17.058 -0.452 1.00 0.00 H new ATOM 0 HA THR B 394 -1.967 -19.656 -0.346 1.00 0.00 H new ATOM 0 HB THR B 394 -2.969 -17.382 -2.106 1.00 0.00 H new ATOM 0 HG1 THR B 394 -2.899 -16.562 -0.042 1.00 0.00 H new ATOM 0 HG21 THR B 394 -5.176 -18.437 -1.787 1.00 0.00 H new ATOM 0 HG22 THR B 394 -4.029 -19.540 -2.586 1.00 0.00 H new ATOM 0 HG23 THR B 394 -4.410 -19.749 -0.860 1.00 0.00 H new ATOM 1211 N LEU B 395 -0.898 -18.741 -3.341 1.00 0.00 N ATOM 1212 CA LEU B 395 -0.489 -19.244 -4.648 1.00 0.00 C ATOM 1213 C LEU B 395 0.653 -20.246 -4.513 1.00 0.00 C ATOM 1214 O LEU B 395 0.738 -21.212 -5.271 1.00 0.00 O ATOM 1215 CB LEU B 395 -0.063 -18.086 -5.552 1.00 0.00 C ATOM 1216 CG LEU B 395 -1.188 -17.191 -6.072 1.00 0.00 C ATOM 1217 CD1 LEU B 395 -0.638 -15.845 -6.516 1.00 0.00 C ATOM 1218 CD2 LEU B 395 -1.924 -17.872 -7.217 1.00 0.00 C ATOM 0 H LEU B 395 -0.741 -17.742 -3.206 1.00 0.00 H new ATOM 0 HA LEU B 395 -1.342 -19.752 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU B 395 0.644 -17.464 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU B 395 0.472 -18.498 -6.408 1.00 0.00 H new ATOM 0 HG LEU B 395 -1.896 -17.021 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU B 395 -1.454 -15.222 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU B 395 -0.156 -15.352 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU B 395 0.091 -15.995 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU B 395 -2.722 -17.221 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU B 395 -1.226 -18.072 -8.030 1.00 0.00 H new ATOM 0 HD23 LEU B 395 -2.352 -18.811 -6.867 1.00 0.00 H new ATOM 1230 N CYS B 396 1.529 -20.009 -3.542 1.00 0.00 N ATOM 1231 CA CYS B 396 2.666 -20.892 -3.306 1.00 0.00 C ATOM 1232 C CYS B 396 2.211 -22.213 -2.693 1.00 0.00 C ATOM 1233 O CYS B 396 2.654 -23.285 -3.106 1.00 0.00 O ATOM 1234 CB CYS B 396 3.683 -20.213 -2.388 1.00 0.00 C ATOM 1235 SG CYS B 396 4.802 -19.076 -3.238 1.00 0.00 S ATOM 0 H CYS B 396 1.474 -19.213 -2.906 1.00 0.00 H new ATOM 0 HA CYS B 396 3.137 -21.102 -4.266 1.00 0.00 H new ATOM 0 HB2 CYS B 396 3.147 -19.666 -1.612 1.00 0.00 H new ATOM 0 HB3 CYS B 396 4.273 -20.980 -1.887 1.00 0.00 H new ATOM 0 HG CYS B 396 4.243 -17.906 -3.331 1.00 0.00 H new ATOM 1241 N ARG B 397 1.326 -22.127 -1.705 1.00 0.00 N ATOM 1242 CA ARG B 397 0.814 -23.315 -1.033 1.00 0.00 C ATOM 1243 C ARG B 397 -0.408 -23.867 -1.761 1.00 0.00 C ATOM 1244 O ARG B 397 -1.072 -24.784 -1.275 1.00 0.00 O ATOM 1245 CB ARG B 397 0.453 -22.990 0.418 1.00 0.00 C ATOM 1246 CG ARG B 397 1.648 -22.991 1.357 1.00 0.00 C ATOM 1247 CD ARG B 397 2.622 -21.873 1.019 1.00 0.00 C ATOM 1248 NE ARG B 397 3.544 -21.600 2.119 1.00 0.00 N ATOM 1249 CZ ARG B 397 4.400 -20.584 2.125 1.00 0.00 C ATOM 1250 NH1 ARG B 397 4.450 -19.749 1.096 1.00 0.00 N ATOM 1251 NH2 ARG B 397 5.207 -20.401 3.162 1.00 0.00 N ATOM 0 H ARG B 397 0.949 -21.247 -1.352 1.00 0.00 H new ATOM 0 HA ARG B 397 1.596 -24.074 -1.045 1.00 0.00 H new ATOM 0 HB2 ARG B 397 -0.026 -22.012 0.454 1.00 0.00 H new ATOM 0 HB3 ARG B 397 -0.278 -23.716 0.773 1.00 0.00 H new ATOM 0 HG2 ARG B 397 1.304 -22.877 2.385 1.00 0.00 H new ATOM 0 HG3 ARG B 397 2.159 -23.952 1.296 1.00 0.00 H new ATOM 0 HD2 ARG B 397 3.190 -22.143 0.129 1.00 0.00 H new ATOM 0 HD3 ARG B 397 2.065 -20.967 0.779 1.00 0.00 H new ATOM 0 HE ARG B 397 3.530 -22.223 2.926 1.00 0.00 H new ATOM 0 HH11 ARG B 397 3.830 -19.886 0.297 1.00 0.00 H new ATOM 0 HH12 ARG B 397 5.108 -18.970 1.103 1.00 0.00 H new ATOM 0 HH21 ARG B 397 5.171 -21.041 3.956 1.00 0.00 H new ATOM 0 HH22 ARG B 397 5.864 -19.621 3.166 1.00 0.00 H new