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 -103:sc= 0.0332 USER MOD Single : A 394 THR OG1 : rot 80:sc= 0.755 USER MOD Single : A 396 CYS SG : rot 85:sc= 0.00311 USER MOD Single : B 378 SER OG : rot 180:sc= 0 USER MOD Single : B 379 TYR OH : rot -104:sc= 0.0316 USER MOD Single : B 394 THR OG1 : rot 78:sc= 0.448 USER MOD Single : B 396 CYS SG : rot 86:sc= -0.0487 USER MOD ----------------------------------------------------------------- ATOM 277 N LEU A 377 -2.673 6.382 -8.518 1.00 0.00 N ATOM 278 CA LEU A 377 -3.783 5.573 -8.026 1.00 0.00 C ATOM 279 C LEU A 377 -4.034 4.379 -8.942 1.00 0.00 C ATOM 280 O LEU A 377 -4.392 3.295 -8.481 1.00 0.00 O ATOM 281 CB LEU A 377 -5.051 6.422 -7.918 1.00 0.00 C ATOM 282 CG LEU A 377 -5.178 7.280 -6.658 1.00 0.00 C ATOM 283 CD1 LEU A 377 -6.276 8.318 -6.829 1.00 0.00 C ATOM 284 CD2 LEU A 377 -5.452 6.406 -5.443 1.00 0.00 C ATOM 0 HA LEU A 377 -3.518 5.200 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -5.100 7.078 -8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.914 5.759 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 377 -4.234 7.802 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -6.352 8.919 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -6.038 8.964 -7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -7.226 7.816 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -5.539 7.033 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.382 5.857 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -4.632 5.701 -5.309 1.00 0.00 H new ATOM 296 N SER A 378 -3.841 4.585 -10.241 1.00 0.00 N ATOM 297 CA SER A 378 -4.048 3.526 -11.221 1.00 0.00 C ATOM 298 C SER A 378 -3.341 2.243 -10.793 1.00 0.00 C ATOM 299 O SER A 378 -3.818 1.140 -11.059 1.00 0.00 O ATOM 300 CB SER A 378 -3.540 3.967 -12.595 1.00 0.00 C ATOM 301 OG SER A 378 -2.158 4.280 -12.551 1.00 0.00 O ATOM 0 H SER A 378 -3.542 5.475 -10.639 1.00 0.00 H new ATOM 0 HA SER A 378 -5.118 3.327 -11.283 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.714 3.174 -13.322 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.103 4.837 -12.932 1.00 0.00 H new ATOM 0 HG SER A 378 -1.857 4.557 -13.441 1.00 0.00 H new ATOM 307 N TYR A 379 -2.202 2.397 -10.128 1.00 0.00 N ATOM 308 CA TYR A 379 -1.427 1.253 -9.665 1.00 0.00 C ATOM 309 C TYR A 379 -2.173 0.496 -8.570 1.00 0.00 C ATOM 310 O TYR A 379 -2.376 -0.714 -8.663 1.00 0.00 O ATOM 311 CB TYR A 379 -0.063 1.710 -9.144 1.00 0.00 C ATOM 312 CG TYR A 379 0.950 0.593 -9.036 1.00 0.00 C ATOM 313 CD1 TYR A 379 1.376 -0.096 -10.165 1.00 0.00 C ATOM 314 CD2 TYR A 379 1.481 0.226 -7.805 1.00 0.00 C ATOM 315 CE1 TYR A 379 2.301 -1.118 -10.071 1.00 0.00 C ATOM 316 CE2 TYR A 379 2.407 -0.793 -7.702 1.00 0.00 C ATOM 317 CZ TYR A 379 2.814 -1.463 -8.838 1.00 0.00 C ATOM 318 OH TYR A 379 3.735 -2.480 -8.739 1.00 0.00 O ATOM 0 H TYR A 379 -1.795 3.303 -9.897 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.279 0.582 -10.511 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.329 2.482 -9.806 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -0.193 2.167 -8.163 1.00 0.00 H new ATOM 0 HD1 TYR A 379 0.977 0.172 -11.132 1.00 0.00 H new ATOM 0 HD2 TYR A 379 1.164 0.747 -6.914 1.00 0.00 H new ATOM 0 HE1 TYR A 379 2.621 -1.644 -10.958 1.00 0.00 H new ATOM 0 HE2 TYR A 379 2.811 -1.064 -6.738 1.00 0.00 H new ATOM 0 HH TYR A 379 3.297 -3.286 -8.395 1.00 0.00 H new ATOM 328 N GLY A 380 -2.581 1.220 -7.532 1.00 0.00 N ATOM 329 CA GLY A 380 -3.301 0.603 -6.434 1.00 0.00 C ATOM 330 C GLY A 380 -4.683 0.129 -6.840 1.00 0.00 C ATOM 331 O GLY A 380 -5.039 -1.029 -6.623 1.00 0.00 O ATOM 0 H GLY A 380 -2.425 2.223 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 380 -2.726 -0.243 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 380 -3.391 1.317 -5.616 1.00 0.00 H new ATOM 335 N VAL A 381 -5.465 1.028 -7.431 1.00 0.00 N ATOM 336 CA VAL A 381 -6.816 0.696 -7.868 1.00 0.00 C ATOM 337 C VAL A 381 -6.795 -0.372 -8.955 1.00 0.00 C ATOM 338 O VAL A 381 -7.474 -1.393 -8.850 1.00 0.00 O ATOM 339 CB VAL A 381 -7.555 1.939 -8.399 1.00 0.00 C ATOM 340 CG1 VAL A 381 -9.045 1.662 -8.522 1.00 0.00 C ATOM 341 CG2 VAL A 381 -7.299 3.137 -7.497 1.00 0.00 C ATOM 0 H VAL A 381 -5.186 1.991 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 381 -7.346 0.312 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 381 -7.170 2.173 -9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 381 -9.551 2.551 -8.898 1.00 0.00 H new ATOM 0 HG12 VAL A 381 -9.205 0.834 -9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 381 -9.449 1.402 -7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 381 -7.829 4.006 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 381 -7.655 2.917 -6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 381 -6.230 3.347 -7.466 1.00 0.00 H new ATOM 351 N GLY A 382 -6.008 -0.131 -10.000 1.00 0.00 N ATOM 352 CA GLY A 382 -5.913 -1.082 -11.092 1.00 0.00 C ATOM 353 C GLY A 382 -5.605 -2.486 -10.612 1.00 0.00 C ATOM 354 O GLY A 382 -6.253 -3.448 -11.026 1.00 0.00 O ATOM 0 H GLY A 382 -5.435 0.706 -10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -6.851 -1.089 -11.647 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.136 -0.759 -11.784 1.00 0.00 H new ATOM 358 N PHE A 383 -4.612 -2.607 -9.737 1.00 0.00 N ATOM 359 CA PHE A 383 -4.217 -3.905 -9.203 1.00 0.00 C ATOM 360 C PHE A 383 -5.335 -4.507 -8.357 1.00 0.00 C ATOM 361 O PHE A 383 -5.503 -5.726 -8.307 1.00 0.00 O ATOM 362 CB PHE A 383 -2.944 -3.769 -8.364 1.00 0.00 C ATOM 363 CG PHE A 383 -2.294 -5.084 -8.044 1.00 0.00 C ATOM 364 CD1 PHE A 383 -1.923 -5.954 -9.057 1.00 0.00 C ATOM 365 CD2 PHE A 383 -2.054 -5.452 -6.730 1.00 0.00 C ATOM 366 CE1 PHE A 383 -1.325 -7.165 -8.766 1.00 0.00 C ATOM 367 CE2 PHE A 383 -1.455 -6.661 -6.433 1.00 0.00 C ATOM 368 CZ PHE A 383 -1.091 -7.520 -7.452 1.00 0.00 C ATOM 0 H PHE A 383 -4.066 -1.822 -9.383 1.00 0.00 H new ATOM 0 HA PHE A 383 -4.021 -4.572 -10.043 1.00 0.00 H new ATOM 0 HB2 PHE A 383 -2.231 -3.141 -8.899 1.00 0.00 H new ATOM 0 HB3 PHE A 383 -3.185 -3.256 -7.433 1.00 0.00 H new ATOM 0 HD1 PHE A 383 -2.104 -5.682 -10.086 1.00 0.00 H new ATOM 0 HD2 PHE A 383 -2.338 -4.786 -5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 383 -1.041 -7.833 -9.565 1.00 0.00 H new ATOM 0 HE2 PHE A 383 -1.271 -6.935 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 383 -0.625 -8.467 -7.222 1.00 0.00 H new ATOM 378 N PHE A 384 -6.096 -3.645 -7.692 1.00 0.00 N ATOM 379 CA PHE A 384 -7.197 -4.091 -6.846 1.00 0.00 C ATOM 380 C PHE A 384 -8.243 -4.841 -7.666 1.00 0.00 C ATOM 381 O PHE A 384 -8.639 -5.955 -7.319 1.00 0.00 O ATOM 382 CB PHE A 384 -7.845 -2.896 -6.143 1.00 0.00 C ATOM 383 CG PHE A 384 -8.455 -3.241 -4.815 1.00 0.00 C ATOM 384 CD1 PHE A 384 -9.353 -4.290 -4.702 1.00 0.00 C ATOM 385 CD2 PHE A 384 -8.131 -2.516 -3.680 1.00 0.00 C ATOM 386 CE1 PHE A 384 -9.917 -4.609 -3.481 1.00 0.00 C ATOM 387 CE2 PHE A 384 -8.692 -2.830 -2.456 1.00 0.00 C ATOM 388 CZ PHE A 384 -9.585 -3.879 -2.357 1.00 0.00 C ATOM 0 H PHE A 384 -5.971 -2.633 -7.722 1.00 0.00 H new ATOM 0 HA PHE A 384 -6.793 -4.770 -6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 384 -7.094 -2.119 -5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 384 -8.616 -2.478 -6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 384 -9.615 -4.865 -5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 384 -7.432 -1.696 -3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 384 -10.617 -5.428 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 384 -8.432 -2.256 -1.579 1.00 0.00 H new ATOM 0 HZ PHE A 384 -10.023 -4.128 -1.402 1.00 0.00 H new ATOM 398 N LEU A 385 -8.687 -4.223 -8.755 1.00 0.00 N ATOM 399 CA LEU A 385 -9.688 -4.831 -9.625 1.00 0.00 C ATOM 400 C LEU A 385 -9.156 -6.116 -10.252 1.00 0.00 C ATOM 401 O LEU A 385 -9.818 -7.153 -10.222 1.00 0.00 O ATOM 402 CB LEU A 385 -10.103 -3.848 -10.722 1.00 0.00 C ATOM 403 CG LEU A 385 -10.279 -2.393 -10.288 1.00 0.00 C ATOM 404 CD1 LEU A 385 -10.953 -1.586 -11.387 1.00 0.00 C ATOM 405 CD2 LEU A 385 -11.081 -2.314 -8.998 1.00 0.00 C ATOM 0 H LEU A 385 -8.370 -3.302 -9.057 1.00 0.00 H new ATOM 0 HA LEU A 385 -10.559 -5.078 -9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -9.355 -3.882 -11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -11.042 -4.193 -11.155 1.00 0.00 H new ATOM 0 HG LEU A 385 -9.292 -1.967 -10.105 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -11.070 -0.553 -11.060 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -10.340 -1.614 -12.288 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -11.933 -2.012 -11.602 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -11.196 -1.271 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -12.064 -2.758 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -10.558 -2.857 -8.211 1.00 0.00 H new ATOM 417 N PHE A 386 -7.956 -6.039 -10.818 1.00 0.00 N ATOM 418 CA PHE A 386 -7.335 -7.197 -11.451 1.00 0.00 C ATOM 419 C PHE A 386 -7.105 -8.313 -10.436 1.00 0.00 C ATOM 420 O PHE A 386 -7.231 -9.495 -10.759 1.00 0.00 O ATOM 421 CB PHE A 386 -6.007 -6.799 -12.098 1.00 0.00 C ATOM 422 CG PHE A 386 -5.656 -7.624 -13.302 1.00 0.00 C ATOM 423 CD1 PHE A 386 -5.098 -8.884 -13.157 1.00 0.00 C ATOM 424 CD2 PHE A 386 -5.883 -7.140 -14.581 1.00 0.00 C ATOM 425 CE1 PHE A 386 -4.774 -9.646 -14.263 1.00 0.00 C ATOM 426 CE2 PHE A 386 -5.561 -7.897 -15.691 1.00 0.00 C ATOM 427 CZ PHE A 386 -5.006 -9.152 -15.532 1.00 0.00 C ATOM 0 H PHE A 386 -7.395 -5.188 -10.851 1.00 0.00 H new ATOM 0 HA PHE A 386 -8.011 -7.565 -12.222 1.00 0.00 H new ATOM 0 HB2 PHE A 386 -6.053 -5.749 -12.388 1.00 0.00 H new ATOM 0 HB3 PHE A 386 -5.210 -6.891 -11.360 1.00 0.00 H new ATOM 0 HD1 PHE A 386 -4.914 -9.275 -12.167 1.00 0.00 H new ATOM 0 HD2 PHE A 386 -6.317 -6.160 -14.711 1.00 0.00 H new ATOM 0 HE1 PHE A 386 -4.340 -10.627 -14.136 1.00 0.00 H new ATOM 0 HE2 PHE A 386 -5.743 -7.508 -16.682 1.00 0.00 H new ATOM 0 HZ PHE A 386 -4.754 -9.746 -16.398 1.00 0.00 H new ATOM 437 N ILE A 387 -6.766 -7.929 -9.210 1.00 0.00 N ATOM 438 CA ILE A 387 -6.519 -8.897 -8.148 1.00 0.00 C ATOM 439 C ILE A 387 -7.821 -9.523 -7.660 1.00 0.00 C ATOM 440 O ILE A 387 -7.860 -10.700 -7.300 1.00 0.00 O ATOM 441 CB ILE A 387 -5.794 -8.249 -6.954 1.00 0.00 C ATOM 442 CG1 ILE A 387 -4.298 -8.122 -7.245 1.00 0.00 C ATOM 443 CG2 ILE A 387 -6.026 -9.063 -5.689 1.00 0.00 C ATOM 444 CD1 ILE A 387 -3.593 -9.454 -7.378 1.00 0.00 C ATOM 0 H ILE A 387 -6.656 -6.955 -8.927 1.00 0.00 H new ATOM 0 HA ILE A 387 -5.882 -9.674 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 387 -6.201 -7.249 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 387 -4.162 -7.555 -8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 387 -3.828 -7.549 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 387 -5.507 -8.593 -4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 387 -7.094 -9.107 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 387 -5.643 -10.074 -5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 387 -2.536 -9.287 -7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 387 -3.698 -10.015 -6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 387 -4.037 -10.021 -8.197 1.00 0.00 H new ATOM 456 N LEU A 388 -8.886 -8.729 -7.653 1.00 0.00 N ATOM 457 CA LEU A 388 -10.192 -9.204 -7.211 1.00 0.00 C ATOM 458 C LEU A 388 -10.699 -10.323 -8.117 1.00 0.00 C ATOM 459 O LEU A 388 -11.162 -11.359 -7.641 1.00 0.00 O ATOM 460 CB LEU A 388 -11.198 -8.052 -7.194 1.00 0.00 C ATOM 461 CG LEU A 388 -11.137 -7.126 -5.978 1.00 0.00 C ATOM 462 CD1 LEU A 388 -11.926 -5.852 -6.237 1.00 0.00 C ATOM 463 CD2 LEU A 388 -11.660 -7.838 -4.739 1.00 0.00 C ATOM 0 H LEU A 388 -8.871 -7.753 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 388 -10.084 -9.599 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 388 -11.048 -7.451 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 388 -12.202 -8.472 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 388 -10.096 -6.854 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 388 -11.871 -5.206 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 388 -11.506 -5.333 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 388 -12.967 -6.103 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 388 -11.609 -7.164 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 388 -12.695 -8.140 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 388 -11.051 -8.721 -4.542 1.00 0.00 H new ATOM 475 N VAL A 389 -10.607 -10.106 -9.425 1.00 0.00 N ATOM 476 CA VAL A 389 -11.053 -11.096 -10.397 1.00 0.00 C ATOM 477 C VAL A 389 -10.063 -12.251 -10.499 1.00 0.00 C ATOM 478 O VAL A 389 -10.456 -13.410 -10.640 1.00 0.00 O ATOM 479 CB VAL A 389 -11.238 -10.470 -11.792 1.00 0.00 C ATOM 480 CG1 VAL A 389 -11.794 -11.495 -12.769 1.00 0.00 C ATOM 481 CG2 VAL A 389 -12.146 -9.251 -11.712 1.00 0.00 C ATOM 0 H VAL A 389 -10.227 -9.253 -9.836 1.00 0.00 H new ATOM 0 HA VAL A 389 -12.013 -11.473 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 389 -10.263 -10.147 -12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 389 -11.918 -11.034 -13.749 1.00 0.00 H new ATOM 0 HG12 VAL A 389 -11.103 -12.335 -12.848 1.00 0.00 H new ATOM 0 HG13 VAL A 389 -12.760 -11.852 -12.411 1.00 0.00 H new ATOM 0 HG21 VAL A 389 -12.266 -8.821 -12.706 1.00 0.00 H new ATOM 0 HG22 VAL A 389 -13.121 -9.548 -11.325 1.00 0.00 H new ATOM 0 HG23 VAL A 389 -11.702 -8.510 -11.047 1.00 0.00 H new ATOM 491 N VAL A 390 -8.776 -11.929 -10.425 1.00 0.00 N ATOM 492 CA VAL A 390 -7.728 -12.939 -10.506 1.00 0.00 C ATOM 493 C VAL A 390 -7.721 -13.825 -9.266 1.00 0.00 C ATOM 494 O VAL A 390 -7.791 -15.050 -9.364 1.00 0.00 O ATOM 495 CB VAL A 390 -6.339 -12.296 -10.672 1.00 0.00 C ATOM 496 CG1 VAL A 390 -5.245 -13.280 -10.286 1.00 0.00 C ATOM 497 CG2 VAL A 390 -6.146 -11.805 -12.099 1.00 0.00 C ATOM 0 H VAL A 390 -8.434 -10.975 -10.309 1.00 0.00 H new ATOM 0 HA VAL A 390 -7.944 -13.549 -11.383 1.00 0.00 H new ATOM 0 HB VAL A 390 -6.274 -11.437 -10.004 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.271 -12.808 -10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.374 -13.578 -9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.305 -14.160 -10.926 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.159 -11.353 -12.198 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -6.231 -12.646 -12.788 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -6.909 -11.064 -12.335 1.00 0.00 H new ATOM 507 N ALA A 391 -7.637 -13.197 -8.097 1.00 0.00 N ATOM 508 CA ALA A 391 -7.623 -13.928 -6.836 1.00 0.00 C ATOM 509 C ALA A 391 -8.905 -14.733 -6.655 1.00 0.00 C ATOM 510 O ALA A 391 -8.871 -15.880 -6.210 1.00 0.00 O ATOM 511 CB ALA A 391 -7.432 -12.967 -5.672 1.00 0.00 C ATOM 0 H ALA A 391 -7.578 -12.184 -7.998 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.786 -14.626 -6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -7.423 -13.526 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -6.486 -12.439 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.250 -12.247 -5.657 1.00 0.00 H new ATOM 517 N ALA A 392 -10.035 -14.125 -7.001 1.00 0.00 N ATOM 518 CA ALA A 392 -11.328 -14.787 -6.878 1.00 0.00 C ATOM 519 C ALA A 392 -11.356 -16.088 -7.672 1.00 0.00 C ATOM 520 O ALA A 392 -11.727 -17.139 -7.148 1.00 0.00 O ATOM 521 CB ALA A 392 -12.442 -13.859 -7.340 1.00 0.00 C ATOM 0 H ALA A 392 -10.081 -13.175 -7.369 1.00 0.00 H new ATOM 0 HA ALA A 392 -11.486 -15.030 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 392 -13.402 -14.366 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 392 -12.444 -12.958 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 392 -12.280 -13.587 -8.383 1.00 0.00 H new ATOM 527 N VAL A 393 -10.964 -16.011 -8.940 1.00 0.00 N ATOM 528 CA VAL A 393 -10.944 -17.183 -9.807 1.00 0.00 C ATOM 529 C VAL A 393 -9.952 -18.224 -9.301 1.00 0.00 C ATOM 530 O VAL A 393 -10.307 -19.383 -9.081 1.00 0.00 O ATOM 531 CB VAL A 393 -10.581 -16.805 -11.255 1.00 0.00 C ATOM 532 CG1 VAL A 393 -10.510 -18.047 -12.130 1.00 0.00 C ATOM 533 CG2 VAL A 393 -11.585 -15.806 -11.811 1.00 0.00 C ATOM 0 H VAL A 393 -10.656 -15.149 -9.390 1.00 0.00 H new ATOM 0 HA VAL A 393 -11.949 -17.605 -9.791 1.00 0.00 H new ATOM 0 HB VAL A 393 -9.597 -16.335 -11.255 1.00 0.00 H new ATOM 0 HG11 VAL A 393 -10.252 -17.760 -13.149 1.00 0.00 H new ATOM 0 HG12 VAL A 393 -9.749 -18.724 -11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 393 -11.477 -18.549 -12.128 1.00 0.00 H new ATOM 0 HG21 VAL A 393 -11.314 -15.549 -12.835 1.00 0.00 H new ATOM 0 HG22 VAL A 393 -12.582 -16.247 -11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 393 -11.580 -14.905 -11.198 1.00 0.00 H new ATOM 543 N THR A 394 -8.704 -17.804 -9.117 1.00 0.00 N ATOM 544 CA THR A 394 -7.658 -18.699 -8.638 1.00 0.00 C ATOM 545 C THR A 394 -8.049 -19.339 -7.311 1.00 0.00 C ATOM 546 O THR A 394 -7.813 -20.528 -7.090 1.00 0.00 O ATOM 547 CB THR A 394 -6.320 -17.957 -8.463 1.00 0.00 C ATOM 548 OG1 THR A 394 -5.984 -17.261 -9.669 1.00 0.00 O ATOM 549 CG2 THR A 394 -5.205 -18.929 -8.105 1.00 0.00 C ATOM 0 H THR A 394 -8.393 -16.849 -9.293 1.00 0.00 H new ATOM 0 HA THR A 394 -7.537 -19.477 -9.392 1.00 0.00 H new ATOM 0 HB THR A 394 -6.431 -17.240 -7.649 1.00 0.00 H new ATOM 0 HG1 THR A 394 -6.490 -16.423 -9.715 1.00 0.00 H new ATOM 0 HG21 THR A 394 -4.270 -18.382 -7.986 1.00 0.00 H new ATOM 0 HG22 THR A 394 -5.450 -19.436 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 394 -5.096 -19.666 -8.900 1.00 0.00 H new ATOM 557 N LEU A 395 -8.647 -18.545 -6.429 1.00 0.00 N ATOM 558 CA LEU A 395 -9.071 -19.036 -5.123 1.00 0.00 C ATOM 559 C LEU A 395 -10.272 -19.967 -5.254 1.00 0.00 C ATOM 560 O LEU A 395 -10.388 -20.952 -4.524 1.00 0.00 O ATOM 561 CB LEU A 395 -9.420 -17.863 -4.205 1.00 0.00 C ATOM 562 CG LEU A 395 -8.237 -17.050 -3.675 1.00 0.00 C ATOM 563 CD1 LEU A 395 -8.697 -15.674 -3.218 1.00 0.00 C ATOM 564 CD2 LEU A 395 -7.549 -17.790 -2.538 1.00 0.00 C ATOM 0 H LEU A 395 -8.849 -17.559 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 395 -8.245 -19.598 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 395 -10.085 -17.189 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 395 -9.981 -18.248 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 395 -7.518 -16.919 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 395 -7.842 -15.110 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 395 -9.143 -15.142 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 395 -9.435 -15.782 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 395 -6.710 -17.197 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 395 -8.259 -17.952 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 395 -7.184 -18.752 -2.898 1.00 0.00 H new ATOM 576 N CYS A 396 -11.160 -19.651 -6.190 1.00 0.00 N ATOM 577 CA CYS A 396 -12.351 -20.461 -6.418 1.00 0.00 C ATOM 578 C CYS A 396 -11.984 -21.804 -7.041 1.00 0.00 C ATOM 579 O CYS A 396 -12.531 -22.842 -6.668 1.00 0.00 O ATOM 580 CB CYS A 396 -13.333 -19.716 -7.324 1.00 0.00 C ATOM 581 SG CYS A 396 -14.363 -18.508 -6.460 1.00 0.00 S ATOM 0 H CYS A 396 -11.078 -18.840 -6.803 1.00 0.00 H new ATOM 0 HA CYS A 396 -12.825 -20.646 -5.454 1.00 0.00 H new ATOM 0 HB2 CYS A 396 -12.773 -19.206 -8.107 1.00 0.00 H new ATOM 0 HB3 CYS A 396 -13.979 -20.443 -7.816 1.00 0.00 H new ATOM 0 HG CYS A 396 -13.719 -17.384 -6.356 1.00 0.00 H new ATOM 587 N ARG A 397 -11.057 -21.776 -7.992 1.00 0.00 N ATOM 588 CA ARG A 397 -10.619 -22.991 -8.669 1.00 0.00 C ATOM 589 C ARG A 397 -9.882 -23.915 -7.704 1.00 0.00 C ATOM 590 O ARG A 397 -9.802 -25.124 -7.925 1.00 0.00 O ATOM 591 CB ARG A 397 -9.713 -22.643 -9.851 1.00 0.00 C ATOM 592 CG ARG A 397 -10.355 -21.698 -10.853 1.00 0.00 C ATOM 593 CD ARG A 397 -11.029 -22.458 -11.985 1.00 0.00 C ATOM 594 NE ARG A 397 -11.438 -21.573 -13.072 1.00 0.00 N ATOM 595 CZ ARG A 397 -11.953 -22.005 -14.217 1.00 0.00 C ATOM 596 NH1 ARG A 397 -12.123 -23.304 -14.423 1.00 0.00 N ATOM 597 NH2 ARG A 397 -12.301 -21.137 -15.159 1.00 0.00 N ATOM 0 H ARG A 397 -10.594 -20.925 -8.312 1.00 0.00 H new ATOM 0 HA ARG A 397 -11.503 -23.510 -9.038 1.00 0.00 H new ATOM 0 HB2 ARG A 397 -8.796 -22.191 -9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 397 -9.428 -23.562 -10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 397 -11.090 -21.073 -10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 397 -9.597 -21.031 -11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 397 -10.345 -23.214 -12.371 1.00 0.00 H new ATOM 0 HD3 ARG A 397 -11.902 -22.985 -11.599 1.00 0.00 H new ATOM 0 HE ARG A 397 -11.322 -20.568 -12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -11.858 -23.974 -13.701 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -12.519 -23.633 -15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -12.173 -20.137 -15.004 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -12.697 -21.470 -16.038 1.00 0.00 H new ATOM 912 N ILE B 376 -6.793 8.164 -0.111 1.00 0.00 N ATOM 913 CA ILE B 376 -7.455 7.166 -0.942 1.00 0.00 C ATOM 914 C ILE B 376 -6.458 6.136 -1.464 1.00 0.00 C ATOM 915 O ILE B 376 -6.832 5.017 -1.815 1.00 0.00 O ATOM 916 CB ILE B 376 -8.177 7.817 -2.136 1.00 0.00 C ATOM 917 CG1 ILE B 376 -8.862 9.114 -1.701 1.00 0.00 C ATOM 918 CG2 ILE B 376 -9.189 6.851 -2.734 1.00 0.00 C ATOM 919 CD1 ILE B 376 -9.733 9.727 -2.775 1.00 0.00 C ATOM 0 HA ILE B 376 -8.191 6.668 -0.311 1.00 0.00 H new ATOM 0 HB ILE B 376 -7.438 8.058 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE B 376 -9.472 8.915 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE B 376 -8.101 9.836 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE B 376 -9.691 7.326 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE B 376 -8.676 5.952 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE B 376 -9.926 6.582 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE B 376 -10.187 10.643 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE B 376 -9.124 9.958 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE B 376 -10.517 9.023 -3.054 1.00 0.00 H new ATOM 931 N LEU B 377 -5.188 6.522 -1.511 1.00 0.00 N ATOM 932 CA LEU B 377 -4.135 5.632 -1.988 1.00 0.00 C ATOM 933 C LEU B 377 -3.968 4.437 -1.056 1.00 0.00 C ATOM 934 O LEU B 377 -3.686 3.324 -1.501 1.00 0.00 O ATOM 935 CB LEU B 377 -2.812 6.391 -2.105 1.00 0.00 C ATOM 936 CG LEU B 377 -2.624 7.221 -3.375 1.00 0.00 C ATOM 937 CD1 LEU B 377 -1.468 8.195 -3.210 1.00 0.00 C ATOM 938 CD2 LEU B 377 -2.393 6.314 -4.575 1.00 0.00 C ATOM 0 H LEU B 377 -4.862 7.445 -1.225 1.00 0.00 H new ATOM 0 HA LEU B 377 -4.424 5.264 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU B 377 -2.719 7.054 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU B 377 -1.996 5.671 -2.042 1.00 0.00 H new ATOM 0 HG LEU B 377 -3.534 7.796 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU B 377 -1.349 8.777 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU B 377 -1.674 8.866 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU B 377 -0.551 7.641 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU B 377 -2.261 6.922 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU B 377 -1.499 5.713 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU B 377 -3.253 5.657 -4.706 1.00 0.00 H new ATOM 950 N SER B 378 -4.147 4.674 0.240 1.00 0.00 N ATOM 951 CA SER B 378 -4.015 3.617 1.236 1.00 0.00 C ATOM 952 C SER B 378 -4.808 2.381 0.825 1.00 0.00 C ATOM 953 O SER B 378 -4.410 1.251 1.109 1.00 0.00 O ATOM 954 CB SER B 378 -4.492 4.112 2.602 1.00 0.00 C ATOM 955 OG SER B 378 -5.843 4.536 2.548 1.00 0.00 O ATOM 0 H SER B 378 -4.384 5.589 0.625 1.00 0.00 H new ATOM 0 HA SER B 378 -2.962 3.345 1.304 1.00 0.00 H new ATOM 0 HB2 SER B 378 -4.387 3.315 3.338 1.00 0.00 H new ATOM 0 HB3 SER B 378 -3.862 4.937 2.934 1.00 0.00 H new ATOM 0 HG SER B 378 -6.124 4.846 3.434 1.00 0.00 H new ATOM 961 N TYR B 379 -5.933 2.603 0.155 1.00 0.00 N ATOM 962 CA TYR B 379 -6.785 1.509 -0.294 1.00 0.00 C ATOM 963 C TYR B 379 -6.092 0.687 -1.377 1.00 0.00 C ATOM 964 O TYR B 379 -5.973 -0.532 -1.266 1.00 0.00 O ATOM 965 CB TYR B 379 -8.114 2.052 -0.824 1.00 0.00 C ATOM 966 CG TYR B 379 -9.202 1.007 -0.915 1.00 0.00 C ATOM 967 CD1 TYR B 379 -9.675 0.366 0.223 1.00 0.00 C ATOM 968 CD2 TYR B 379 -9.758 0.660 -2.141 1.00 0.00 C ATOM 969 CE1 TYR B 379 -10.669 -0.590 0.145 1.00 0.00 C ATOM 970 CE2 TYR B 379 -10.753 -0.294 -2.229 1.00 0.00 C ATOM 971 CZ TYR B 379 -11.205 -0.916 -1.084 1.00 0.00 C ATOM 972 OH TYR B 379 -12.195 -1.868 -1.167 1.00 0.00 O ATOM 0 H TYR B 379 -6.276 3.532 -0.089 1.00 0.00 H new ATOM 0 HA TYR B 379 -6.980 0.861 0.561 1.00 0.00 H new ATOM 0 HB2 TYR B 379 -8.451 2.860 -0.175 1.00 0.00 H new ATOM 0 HB3 TYR B 379 -7.953 2.483 -1.812 1.00 0.00 H new ATOM 0 HD1 TYR B 379 -9.258 0.620 1.186 1.00 0.00 H new ATOM 0 HD2 TYR B 379 -9.406 1.145 -3.040 1.00 0.00 H new ATOM 0 HE1 TYR B 379 -11.024 -1.079 1.040 1.00 0.00 H new ATOM 0 HE2 TYR B 379 -11.175 -0.551 -3.189 1.00 0.00 H new ATOM 0 HH TYR B 379 -11.817 -2.704 -1.510 1.00 0.00 H new ATOM 982 N GLY B 380 -5.635 1.366 -2.424 1.00 0.00 N ATOM 983 CA GLY B 380 -4.958 0.684 -3.512 1.00 0.00 C ATOM 984 C GLY B 380 -3.612 0.124 -3.097 1.00 0.00 C ATOM 985 O GLY B 380 -3.336 -1.059 -3.294 1.00 0.00 O ATOM 0 H GLY B 380 -5.721 2.376 -2.539 1.00 0.00 H new ATOM 0 HA2 GLY B 380 -5.589 -0.127 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY B 380 -4.819 1.378 -4.341 1.00 0.00 H new ATOM 989 N VAL B 381 -2.770 0.977 -2.522 1.00 0.00 N ATOM 990 CA VAL B 381 -1.445 0.560 -2.078 1.00 0.00 C ATOM 991 C VAL B 381 -1.538 -0.485 -0.973 1.00 0.00 C ATOM 992 O VAL B 381 -0.930 -1.551 -1.058 1.00 0.00 O ATOM 993 CB VAL B 381 -0.621 1.758 -1.569 1.00 0.00 C ATOM 994 CG1 VAL B 381 0.847 1.383 -1.443 1.00 0.00 C ATOM 995 CG2 VAL B 381 -0.797 2.956 -2.491 1.00 0.00 C ATOM 0 H VAL B 381 -2.982 1.960 -2.353 1.00 0.00 H new ATOM 0 HA VAL B 381 -0.944 0.125 -2.943 1.00 0.00 H new ATOM 0 HB VAL B 381 -0.986 2.033 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL B 381 1.412 2.242 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL B 381 0.953 0.558 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL B 381 1.230 1.080 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL B 381 -0.208 3.793 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL B 381 -0.460 2.696 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL B 381 -1.849 3.239 -2.524 1.00 0.00 H new ATOM 1005 N GLY B 382 -2.307 -0.172 0.067 1.00 0.00 N ATOM 1006 CA GLY B 382 -2.467 -1.095 1.175 1.00 0.00 C ATOM 1007 C GLY B 382 -2.871 -2.483 0.720 1.00 0.00 C ATOM 1008 O GLY B 382 -2.292 -3.480 1.153 1.00 0.00 O ATOM 0 H GLY B 382 -2.821 0.704 0.161 1.00 0.00 H new ATOM 0 HA2 GLY B 382 -1.531 -1.156 1.731 1.00 0.00 H new ATOM 0 HA3 GLY B 382 -3.220 -0.707 1.861 1.00 0.00 H new ATOM 1012 N PHE B 383 -3.869 -2.550 -0.155 1.00 0.00 N ATOM 1013 CA PHE B 383 -4.352 -3.827 -0.668 1.00 0.00 C ATOM 1014 C PHE B 383 -3.279 -4.519 -1.503 1.00 0.00 C ATOM 1015 O PHE B 383 -3.196 -5.747 -1.534 1.00 0.00 O ATOM 1016 CB PHE B 383 -5.614 -3.619 -1.508 1.00 0.00 C ATOM 1017 CG PHE B 383 -6.350 -4.893 -1.810 1.00 0.00 C ATOM 1018 CD1 PHE B 383 -6.776 -5.722 -0.785 1.00 0.00 C ATOM 1019 CD2 PHE B 383 -6.615 -5.261 -3.119 1.00 0.00 C ATOM 1020 CE1 PHE B 383 -7.454 -6.895 -1.059 1.00 0.00 C ATOM 1021 CE2 PHE B 383 -7.293 -6.433 -3.400 1.00 0.00 C ATOM 1022 CZ PHE B 383 -7.712 -7.251 -2.369 1.00 0.00 C ATOM 0 H PHE B 383 -4.359 -1.735 -0.524 1.00 0.00 H new ATOM 0 HA PHE B 383 -4.592 -4.465 0.183 1.00 0.00 H new ATOM 0 HB2 PHE B 383 -6.283 -2.938 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE B 383 -5.341 -3.136 -2.446 1.00 0.00 H new ATOM 0 HD1 PHE B 383 -6.576 -5.448 0.240 1.00 0.00 H new ATOM 0 HD2 PHE B 383 -6.288 -4.626 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE B 383 -7.781 -7.532 -0.251 1.00 0.00 H new ATOM 0 HE2 PHE B 383 -7.495 -6.708 -4.425 1.00 0.00 H new ATOM 0 HZ PHE B 383 -8.240 -8.167 -2.586 1.00 0.00 H new ATOM 1032 N PHE B 384 -2.460 -3.722 -2.181 1.00 0.00 N ATOM 1033 CA PHE B 384 -1.393 -4.257 -3.019 1.00 0.00 C ATOM 1034 C PHE B 384 -0.399 -5.062 -2.186 1.00 0.00 C ATOM 1035 O PHE B 384 -0.082 -6.206 -2.513 1.00 0.00 O ATOM 1036 CB PHE B 384 -0.666 -3.121 -3.742 1.00 0.00 C ATOM 1037 CG PHE B 384 -0.080 -3.530 -5.063 1.00 0.00 C ATOM 1038 CD1 PHE B 384 0.746 -4.639 -5.156 1.00 0.00 C ATOM 1039 CD2 PHE B 384 -0.355 -2.806 -6.212 1.00 0.00 C ATOM 1040 CE1 PHE B 384 1.287 -5.017 -6.370 1.00 0.00 C ATOM 1041 CE2 PHE B 384 0.184 -3.180 -7.430 1.00 0.00 C ATOM 1042 CZ PHE B 384 1.005 -4.287 -7.508 1.00 0.00 C ATOM 0 H PHE B 384 -2.515 -2.704 -2.167 1.00 0.00 H new ATOM 0 HA PHE B 384 -1.843 -4.920 -3.758 1.00 0.00 H new ATOM 0 HB2 PHE B 384 -1.363 -2.298 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE B 384 0.131 -2.744 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE B 384 0.969 -5.214 -4.270 1.00 0.00 H new ATOM 0 HD2 PHE B 384 -0.998 -1.940 -6.156 1.00 0.00 H new ATOM 0 HE1 PHE B 384 1.930 -5.883 -6.429 1.00 0.00 H new ATOM 0 HE2 PHE B 384 -0.037 -2.607 -8.318 1.00 0.00 H new ATOM 0 HZ PHE B 384 1.426 -4.582 -8.458 1.00 0.00 H new ATOM 1052 N LEU B 385 0.088 -4.456 -1.109 1.00 0.00 N ATOM 1053 CA LEU B 385 1.046 -5.116 -0.229 1.00 0.00 C ATOM 1054 C LEU B 385 0.429 -6.351 0.419 1.00 0.00 C ATOM 1055 O LEU B 385 1.020 -7.432 0.408 1.00 0.00 O ATOM 1056 CB LEU B 385 1.528 -4.146 0.851 1.00 0.00 C ATOM 1057 CG LEU B 385 1.806 -2.714 0.392 1.00 0.00 C ATOM 1058 CD1 LEU B 385 2.534 -1.937 1.478 1.00 0.00 C ATOM 1059 CD2 LEU B 385 2.613 -2.715 -0.898 1.00 0.00 C ATOM 0 H LEU B 385 -0.164 -3.510 -0.824 1.00 0.00 H new ATOM 0 HA LEU B 385 1.898 -5.432 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU B 385 0.779 -4.114 1.642 1.00 0.00 H new ATOM 0 HB3 LEU B 385 2.440 -4.548 1.292 1.00 0.00 H new ATOM 0 HG LEU B 385 0.852 -2.223 0.200 1.00 0.00 H new ATOM 0 HD11 LEU B 385 2.723 -0.920 1.133 1.00 0.00 H new ATOM 0 HD12 LEU B 385 1.919 -1.907 2.378 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.482 -2.426 1.702 1.00 0.00 H new ATOM 0 HD21 LEU B 385 2.802 -1.688 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU B 385 3.562 -3.224 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU B 385 2.054 -3.234 -1.677 1.00 0.00 H new ATOM 1071 N PHE B 386 -0.763 -6.184 0.983 1.00 0.00 N ATOM 1072 CA PHE B 386 -1.461 -7.286 1.635 1.00 0.00 C ATOM 1073 C PHE B 386 -1.767 -8.401 0.640 1.00 0.00 C ATOM 1074 O PHE B 386 -1.719 -9.583 0.982 1.00 0.00 O ATOM 1075 CB PHE B 386 -2.758 -6.788 2.275 1.00 0.00 C ATOM 1076 CG PHE B 386 -3.164 -7.569 3.492 1.00 0.00 C ATOM 1077 CD1 PHE B 386 -3.805 -8.791 3.366 1.00 0.00 C ATOM 1078 CD2 PHE B 386 -2.905 -7.081 4.763 1.00 0.00 C ATOM 1079 CE1 PHE B 386 -4.180 -9.512 4.484 1.00 0.00 C ATOM 1080 CE2 PHE B 386 -3.277 -7.798 5.885 1.00 0.00 C ATOM 1081 CZ PHE B 386 -3.917 -9.014 5.745 1.00 0.00 C ATOM 0 H PHE B 386 -1.265 -5.297 1.002 1.00 0.00 H new ATOM 0 HA PHE B 386 -0.810 -7.686 2.413 1.00 0.00 H new ATOM 0 HB2 PHE B 386 -2.640 -5.740 2.549 1.00 0.00 H new ATOM 0 HB3 PHE B 386 -3.560 -6.836 1.538 1.00 0.00 H new ATOM 0 HD1 PHE B 386 -4.014 -9.185 2.382 1.00 0.00 H new ATOM 0 HD2 PHE B 386 -2.407 -6.130 4.878 1.00 0.00 H new ATOM 0 HE1 PHE B 386 -4.678 -10.464 4.372 1.00 0.00 H new ATOM 0 HE2 PHE B 386 -3.067 -7.408 6.870 1.00 0.00 H new ATOM 0 HZ PHE B 386 -4.211 -9.574 6.620 1.00 0.00 H new ATOM 1091 N ILE B 387 -2.081 -8.016 -0.593 1.00 0.00 N ATOM 1092 CA ILE B 387 -2.395 -8.983 -1.638 1.00 0.00 C ATOM 1093 C ILE B 387 -1.139 -9.703 -2.115 1.00 0.00 C ATOM 1094 O ILE B 387 -1.180 -10.885 -2.458 1.00 0.00 O ATOM 1095 CB ILE B 387 -3.076 -8.307 -2.843 1.00 0.00 C ATOM 1096 CG1 ILE B 387 -4.560 -8.076 -2.554 1.00 0.00 C ATOM 1097 CG2 ILE B 387 -2.900 -9.155 -4.094 1.00 0.00 C ATOM 1098 CD1 ILE B 387 -5.352 -9.355 -2.400 1.00 0.00 C ATOM 0 H ILE B 387 -2.125 -7.042 -0.892 1.00 0.00 H new ATOM 0 HA ILE B 387 -3.083 -9.708 -1.202 1.00 0.00 H new ATOM 0 HB ILE B 387 -2.604 -7.340 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE B 387 -4.657 -7.486 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE B 387 -4.992 -7.486 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE B 387 -3.386 -8.665 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE B 387 -1.838 -9.274 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE B 387 -3.350 -10.135 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE B 387 -6.396 -9.115 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE B 387 -5.286 -9.937 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE B 387 -4.946 -9.937 -1.573 1.00 0.00 H new ATOM 1110 N LEU B 388 -0.022 -8.983 -2.134 1.00 0.00 N ATOM 1111 CA LEU B 388 1.249 -9.554 -2.568 1.00 0.00 C ATOM 1112 C LEU B 388 1.679 -10.689 -1.645 1.00 0.00 C ATOM 1113 O LEU B 388 2.065 -11.764 -2.104 1.00 0.00 O ATOM 1114 CB LEU B 388 2.330 -8.473 -2.603 1.00 0.00 C ATOM 1115 CG LEU B 388 2.331 -7.565 -3.834 1.00 0.00 C ATOM 1116 CD1 LEU B 388 3.207 -6.345 -3.597 1.00 0.00 C ATOM 1117 CD2 LEU B 388 2.803 -8.332 -5.061 1.00 0.00 C ATOM 0 H LEU B 388 0.029 -8.003 -1.854 1.00 0.00 H new ATOM 0 HA LEU B 388 1.114 -9.958 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU B 388 2.221 -7.849 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU B 388 3.304 -8.958 -2.533 1.00 0.00 H new ATOM 0 HG LEU B 388 1.311 -7.225 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU B 388 3.195 -5.711 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU B 388 2.826 -5.783 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU B 388 4.229 -6.665 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU B 388 2.798 -7.671 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU B 388 3.815 -8.701 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU B 388 2.135 -9.174 -5.243 1.00 0.00 H new ATOM 1129 N VAL B 389 1.609 -10.444 -0.340 1.00 0.00 N ATOM 1130 CA VAL B 389 1.988 -11.446 0.648 1.00 0.00 C ATOM 1131 C VAL B 389 0.922 -12.530 0.769 1.00 0.00 C ATOM 1132 O VAL B 389 1.235 -13.709 0.932 1.00 0.00 O ATOM 1133 CB VAL B 389 2.217 -10.811 2.032 1.00 0.00 C ATOM 1134 CG1 VAL B 389 2.694 -11.858 3.028 1.00 0.00 C ATOM 1135 CG2 VAL B 389 3.213 -9.666 1.934 1.00 0.00 C ATOM 0 H VAL B 389 1.293 -9.559 0.057 1.00 0.00 H new ATOM 0 HA VAL B 389 2.920 -11.894 0.303 1.00 0.00 H new ATOM 0 HB VAL B 389 1.269 -10.409 2.389 1.00 0.00 H new ATOM 0 HG11 VAL B 389 2.850 -11.391 4.000 1.00 0.00 H new ATOM 0 HG12 VAL B 389 1.943 -12.642 3.119 1.00 0.00 H new ATOM 0 HG13 VAL B 389 3.631 -12.292 2.679 1.00 0.00 H new ATOM 0 HG21 VAL B 389 3.363 -9.229 2.921 1.00 0.00 H new ATOM 0 HG22 VAL B 389 4.163 -10.042 1.555 1.00 0.00 H new ATOM 0 HG23 VAL B 389 2.827 -8.905 1.255 1.00 0.00 H new ATOM 1145 N VAL B 390 -0.341 -12.122 0.687 1.00 0.00 N ATOM 1146 CA VAL B 390 -1.455 -13.058 0.785 1.00 0.00 C ATOM 1147 C VAL B 390 -1.523 -13.961 -0.441 1.00 0.00 C ATOM 1148 O VAL B 390 -1.539 -15.186 -0.322 1.00 0.00 O ATOM 1149 CB VAL B 390 -2.797 -12.318 0.940 1.00 0.00 C ATOM 1150 CG1 VAL B 390 -3.955 -13.232 0.570 1.00 0.00 C ATOM 1151 CG2 VAL B 390 -2.954 -11.792 2.358 1.00 0.00 C ATOM 0 H VAL B 390 -0.618 -11.150 0.553 1.00 0.00 H new ATOM 0 HA VAL B 390 -1.280 -13.667 1.672 1.00 0.00 H new ATOM 0 HB VAL B 390 -2.805 -11.467 0.259 1.00 0.00 H new ATOM 0 HG11 VAL B 390 -4.895 -12.693 0.685 1.00 0.00 H new ATOM 0 HG12 VAL B 390 -3.847 -13.555 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL B 390 -3.954 -14.104 1.224 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -3.908 -11.272 2.450 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -2.926 -12.625 3.060 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.141 -11.101 2.582 1.00 0.00 H new ATOM 1161 N ALA B 391 -1.563 -13.348 -1.620 1.00 0.00 N ATOM 1162 CA ALA B 391 -1.627 -14.097 -2.868 1.00 0.00 C ATOM 1163 C ALA B 391 -0.399 -14.986 -3.039 1.00 0.00 C ATOM 1164 O ALA B 391 -0.503 -16.123 -3.499 1.00 0.00 O ATOM 1165 CB ALA B 391 -1.760 -13.146 -4.048 1.00 0.00 C ATOM 0 H ALA B 391 -1.552 -12.335 -1.736 1.00 0.00 H new ATOM 0 HA ALA B 391 -2.507 -14.740 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA B 391 -1.807 -13.719 -4.974 1.00 0.00 H new ATOM 0 HB2 ALA B 391 -2.671 -12.557 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA B 391 -0.898 -12.479 -4.077 1.00 0.00 H new ATOM 1171 N ALA B 392 0.763 -14.459 -2.667 1.00 0.00 N ATOM 1172 CA ALA B 392 2.010 -15.206 -2.778 1.00 0.00 C ATOM 1173 C ALA B 392 1.950 -16.498 -1.971 1.00 0.00 C ATOM 1174 O ALA B 392 2.250 -17.577 -2.483 1.00 0.00 O ATOM 1175 CB ALA B 392 3.181 -14.349 -2.319 1.00 0.00 C ATOM 0 H ALA B 392 0.867 -13.518 -2.286 1.00 0.00 H new ATOM 0 HA ALA B 392 2.155 -15.469 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA B 392 4.106 -14.919 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA B 392 3.244 -13.456 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA B 392 3.033 -14.057 -1.279 1.00 0.00 H new ATOM 1181 N VAL B 393 1.562 -16.382 -0.705 1.00 0.00 N ATOM 1182 CA VAL B 393 1.462 -17.542 0.174 1.00 0.00 C ATOM 1183 C VAL B 393 0.438 -18.542 -0.350 1.00 0.00 C ATOM 1184 O VAL B 393 0.744 -19.718 -0.545 1.00 0.00 O ATOM 1185 CB VAL B 393 1.075 -17.129 1.606 1.00 0.00 C ATOM 1186 CG1 VAL B 393 0.920 -18.356 2.492 1.00 0.00 C ATOM 1187 CG2 VAL B 393 2.108 -16.173 2.182 1.00 0.00 C ATOM 0 H VAL B 393 1.312 -15.497 -0.265 1.00 0.00 H new ATOM 0 HA VAL B 393 2.446 -18.011 0.193 1.00 0.00 H new ATOM 0 HB VAL B 393 0.116 -16.613 1.570 1.00 0.00 H new ATOM 0 HG11 VAL B 393 0.646 -18.045 3.500 1.00 0.00 H new ATOM 0 HG12 VAL B 393 0.140 -19.001 2.087 1.00 0.00 H new ATOM 0 HG13 VAL B 393 1.862 -18.903 2.524 1.00 0.00 H new ATOM 0 HG21 VAL B 393 1.819 -15.891 3.194 1.00 0.00 H new ATOM 0 HG22 VAL B 393 3.082 -16.661 2.206 1.00 0.00 H new ATOM 0 HG23 VAL B 393 2.165 -15.280 1.559 1.00 0.00 H new ATOM 1197 N THR B 394 -0.783 -18.066 -0.577 1.00 0.00 N ATOM 1198 CA THR B 394 -1.854 -18.917 -1.078 1.00 0.00 C ATOM 1199 C THR B 394 -1.464 -19.573 -2.398 1.00 0.00 C ATOM 1200 O THR B 394 -1.649 -20.777 -2.584 1.00 0.00 O ATOM 1201 CB THR B 394 -3.157 -18.121 -1.279 1.00 0.00 C ATOM 1202 OG1 THR B 394 -3.498 -17.426 -0.075 1.00 0.00 O ATOM 1203 CG2 THR B 394 -4.299 -19.044 -1.678 1.00 0.00 C ATOM 0 H THR B 394 -1.054 -17.095 -0.421 1.00 0.00 H new ATOM 0 HA THR B 394 -2.021 -19.689 -0.327 1.00 0.00 H new ATOM 0 HB THR B 394 -2.996 -17.400 -2.081 1.00 0.00 H new ATOM 0 HG1 THR B 394 -2.943 -16.622 0.007 1.00 0.00 H new ATOM 0 HG21 THR B 394 -5.209 -18.459 -1.814 1.00 0.00 H new ATOM 0 HG22 THR B 394 -4.049 -19.549 -2.611 1.00 0.00 H new ATOM 0 HG23 THR B 394 -4.458 -19.785 -0.895 1.00 0.00 H new ATOM 1211 N LEU B 395 -0.923 -18.776 -3.312 1.00 0.00 N ATOM 1212 CA LEU B 395 -0.505 -19.279 -4.616 1.00 0.00 C ATOM 1213 C LEU B 395 0.633 -20.285 -4.472 1.00 0.00 C ATOM 1214 O LEU B 395 0.723 -21.249 -5.233 1.00 0.00 O ATOM 1215 CB LEU B 395 -0.068 -18.122 -5.516 1.00 0.00 C ATOM 1216 CG LEU B 395 -1.187 -17.226 -6.047 1.00 0.00 C ATOM 1217 CD1 LEU B 395 -0.630 -15.879 -6.484 1.00 0.00 C ATOM 1218 CD2 LEU B 395 -1.912 -17.904 -7.200 1.00 0.00 C ATOM 0 H LEU B 395 -0.763 -17.778 -3.174 1.00 0.00 H new ATOM 0 HA LEU B 395 -1.356 -19.784 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU B 395 0.635 -17.501 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU B 395 0.475 -18.534 -6.367 1.00 0.00 H new ATOM 0 HG LEU B 395 -1.903 -17.057 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU B 395 -1.441 -15.254 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU B 395 -0.157 -15.388 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU B 395 0.107 -16.029 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU B 395 -2.705 -17.251 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU B 395 -1.206 -18.104 -8.006 1.00 0.00 H new ATOM 0 HD23 LEU B 395 -2.345 -18.843 -6.856 1.00 0.00 H new ATOM 1230 N CYS B 396 1.499 -20.054 -3.491 1.00 0.00 N ATOM 1231 CA CYS B 396 2.631 -20.940 -3.246 1.00 0.00 C ATOM 1232 C CYS B 396 2.167 -22.261 -2.641 1.00 0.00 C ATOM 1233 O CYS B 396 2.607 -23.334 -3.055 1.00 0.00 O ATOM 1234 CB CYS B 396 3.641 -20.266 -2.317 1.00 0.00 C ATOM 1235 SG CYS B 396 4.772 -19.131 -3.155 1.00 0.00 S ATOM 0 H CYS B 396 1.439 -19.261 -2.853 1.00 0.00 H new ATOM 0 HA CYS B 396 3.111 -21.148 -4.202 1.00 0.00 H new ATOM 0 HB2 CYS B 396 3.100 -19.719 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS B 396 4.224 -21.036 -1.812 1.00 0.00 H new ATOM 0 HG CYS B 396 4.217 -17.959 -3.253 1.00 0.00 H new ATOM 1241 N ARG B 397 1.277 -22.174 -1.657 1.00 0.00 N ATOM 1242 CA ARG B 397 0.755 -23.362 -0.992 1.00 0.00 C ATOM 1243 C ARG B 397 -0.460 -23.911 -1.735 1.00 0.00 C ATOM 1244 O ARG B 397 -1.128 -24.830 -1.259 1.00 0.00 O ATOM 1245 CB ARG B 397 0.379 -23.039 0.455 1.00 0.00 C ATOM 1246 CG ARG B 397 1.564 -23.041 1.407 1.00 0.00 C ATOM 1247 CD ARG B 397 2.542 -21.923 1.081 1.00 0.00 C ATOM 1248 NE ARG B 397 3.449 -21.648 2.192 1.00 0.00 N ATOM 1249 CZ ARG B 397 4.417 -22.474 2.572 1.00 0.00 C ATOM 1250 NH1 ARG B 397 4.605 -23.620 1.933 1.00 0.00 N ATOM 1251 NH2 ARG B 397 5.202 -22.153 3.593 1.00 0.00 N ATOM 0 H ARG B 397 0.903 -21.294 -1.303 1.00 0.00 H new ATOM 0 HA ARG B 397 1.536 -24.123 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG B 397 -0.100 -22.061 0.487 1.00 0.00 H new ATOM 0 HB3 ARG B 397 -0.356 -23.766 0.801 1.00 0.00 H new ATOM 0 HG2 ARG B 397 1.209 -22.928 2.432 1.00 0.00 H new ATOM 0 HG3 ARG B 397 2.076 -24.002 1.351 1.00 0.00 H new ATOM 0 HD2 ARG B 397 3.122 -22.194 0.199 1.00 0.00 H new ATOM 0 HD3 ARG B 397 1.988 -21.018 0.833 1.00 0.00 H new ATOM 0 HE ARG B 397 3.333 -20.774 2.704 1.00 0.00 H new ATOM 0 HH11 ARG B 397 4.005 -23.870 1.147 1.00 0.00 H new ATOM 0 HH12 ARG B 397 5.349 -24.252 2.228 1.00 0.00 H new ATOM 0 HH21 ARG B 397 5.062 -21.271 4.086 1.00 0.00 H new ATOM 0 HH22 ARG B 397 5.945 -22.788 3.884 1.00 0.00 H new