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 -104:sc= 0.0672 USER MOD Single : A 394 THR OG1 : rot 81:sc= 0.271 USER MOD Single : A 396 CYS SG : rot 82:sc= 0.0713 USER MOD Single : B 378 SER OG : rot 180:sc= 0 USER MOD Single : B 379 TYR OH : rot -104:sc= 0.0883 USER MOD Single : B 394 THR OG1 : rot 80:sc= 0.538 USER MOD Single : B 396 CYS SG : rot 86:sc= -0.0564 USER MOD ----------------------------------------------------------------- ATOM 277 N LEU A 377 -2.633 6.347 -8.567 1.00 0.00 N ATOM 278 CA LEU A 377 -3.766 5.570 -8.076 1.00 0.00 C ATOM 279 C LEU A 377 -4.033 4.368 -8.975 1.00 0.00 C ATOM 280 O LEU A 377 -4.399 3.294 -8.500 1.00 0.00 O ATOM 281 CB LEU A 377 -5.015 6.449 -7.994 1.00 0.00 C ATOM 282 CG LEU A 377 -5.136 7.330 -6.750 1.00 0.00 C ATOM 283 CD1 LEU A 377 -6.206 8.392 -6.950 1.00 0.00 C ATOM 284 CD2 LEU A 377 -5.446 6.482 -5.525 1.00 0.00 C ATOM 0 HA LEU A 377 -3.520 5.206 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -5.041 7.092 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.892 5.804 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 377 -4.182 7.831 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -6.278 9.009 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -5.942 9.018 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -7.166 7.911 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -5.529 7.125 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.387 5.953 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -4.645 5.759 -5.370 1.00 0.00 H new ATOM 296 N SER A 378 -3.846 4.557 -10.278 1.00 0.00 N ATOM 297 CA SER A 378 -4.068 3.489 -11.245 1.00 0.00 C ATOM 298 C SER A 378 -3.368 2.206 -10.808 1.00 0.00 C ATOM 299 O SER A 378 -3.852 1.103 -11.063 1.00 0.00 O ATOM 300 CB SER A 378 -3.568 3.911 -12.628 1.00 0.00 C ATOM 301 OG SER A 378 -2.188 4.232 -12.594 1.00 0.00 O ATOM 0 H SER A 378 -3.541 5.440 -10.688 1.00 0.00 H new ATOM 0 HA SER A 378 -5.140 3.298 -11.297 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.740 3.106 -13.342 1.00 0.00 H new ATOM 0 HB3 SER A 378 -4.137 4.773 -12.977 1.00 0.00 H new ATOM 0 HG SER A 378 -1.892 4.497 -13.490 1.00 0.00 H new ATOM 307 N TYR A 379 -2.225 2.359 -10.149 1.00 0.00 N ATOM 308 CA TYR A 379 -1.455 1.214 -9.678 1.00 0.00 C ATOM 309 C TYR A 379 -2.199 0.475 -8.570 1.00 0.00 C ATOM 310 O TYR A 379 -2.412 -0.735 -8.649 1.00 0.00 O ATOM 311 CB TYR A 379 -0.084 1.667 -9.172 1.00 0.00 C ATOM 312 CG TYR A 379 0.925 0.546 -9.072 1.00 0.00 C ATOM 313 CD1 TYR A 379 1.334 -0.150 -10.203 1.00 0.00 C ATOM 314 CD2 TYR A 379 1.470 0.182 -7.847 1.00 0.00 C ATOM 315 CE1 TYR A 379 2.256 -1.176 -10.116 1.00 0.00 C ATOM 316 CE2 TYR A 379 2.393 -0.841 -7.751 1.00 0.00 C ATOM 317 CZ TYR A 379 2.783 -1.517 -8.888 1.00 0.00 C ATOM 318 OH TYR A 379 3.701 -2.538 -8.796 1.00 0.00 O ATOM 0 H TYR A 379 -1.811 3.265 -9.929 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.318 0.532 -10.517 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.305 2.436 -9.840 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -0.202 2.127 -8.191 1.00 0.00 H new ATOM 0 HD1 TYR A 379 0.924 0.115 -11.166 1.00 0.00 H new ATOM 0 HD2 TYR A 379 1.167 0.708 -6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 379 2.562 -1.708 -11.005 1.00 0.00 H new ATOM 0 HE2 TYR A 379 2.807 -1.110 -6.791 1.00 0.00 H new ATOM 0 HH TYR A 379 3.267 -3.336 -8.427 1.00 0.00 H new ATOM 328 N GLY A 380 -2.594 1.213 -7.537 1.00 0.00 N ATOM 329 CA GLY A 380 -3.311 0.612 -6.428 1.00 0.00 C ATOM 330 C GLY A 380 -4.701 0.149 -6.818 1.00 0.00 C ATOM 331 O GLY A 380 -5.066 -1.004 -6.590 1.00 0.00 O ATOM 0 H GLY A 380 -2.430 2.216 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 380 -2.742 -0.237 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 380 -3.387 1.334 -5.615 1.00 0.00 H new ATOM 335 N VAL A 381 -5.480 1.051 -7.407 1.00 0.00 N ATOM 336 CA VAL A 381 -6.838 0.729 -7.829 1.00 0.00 C ATOM 337 C VAL A 381 -6.836 -0.337 -8.919 1.00 0.00 C ATOM 338 O VAL A 381 -7.518 -1.355 -8.807 1.00 0.00 O ATOM 339 CB VAL A 381 -7.575 1.978 -8.349 1.00 0.00 C ATOM 340 CG1 VAL A 381 -9.068 1.709 -8.462 1.00 0.00 C ATOM 341 CG2 VAL A 381 -7.306 3.170 -7.444 1.00 0.00 C ATOM 0 H VAL A 381 -5.194 2.010 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 381 -7.360 0.347 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 381 -7.197 2.214 -9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 381 -9.572 2.602 -8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 381 -9.238 0.885 -9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 381 -9.466 1.447 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 381 -7.834 4.044 -7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 381 -7.655 2.947 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 381 -6.236 3.375 -7.421 1.00 0.00 H new ATOM 351 N GLY A 382 -6.064 -0.096 -9.974 1.00 0.00 N ATOM 352 CA GLY A 382 -5.987 -1.045 -11.069 1.00 0.00 C ATOM 353 C GLY A 382 -5.675 -2.451 -10.597 1.00 0.00 C ATOM 354 O GLY A 382 -6.323 -3.412 -11.012 1.00 0.00 O ATOM 0 H GLY A 382 -5.491 0.740 -10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -6.933 -1.048 -11.610 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.219 -0.722 -11.772 1.00 0.00 H new ATOM 358 N PHE A 383 -4.677 -2.574 -9.728 1.00 0.00 N ATOM 359 CA PHE A 383 -4.277 -3.874 -9.202 1.00 0.00 C ATOM 360 C PHE A 383 -5.384 -4.475 -8.340 1.00 0.00 C ATOM 361 O PHE A 383 -5.554 -5.693 -8.290 1.00 0.00 O ATOM 362 CB PHE A 383 -2.992 -3.742 -8.381 1.00 0.00 C ATOM 363 CG PHE A 383 -2.342 -5.060 -8.070 1.00 0.00 C ATOM 364 CD1 PHE A 383 -1.993 -5.933 -9.088 1.00 0.00 C ATOM 365 CD2 PHE A 383 -2.080 -5.426 -6.760 1.00 0.00 C ATOM 366 CE1 PHE A 383 -1.394 -7.146 -8.805 1.00 0.00 C ATOM 367 CE2 PHE A 383 -1.481 -6.637 -6.471 1.00 0.00 C ATOM 368 CZ PHE A 383 -1.139 -7.499 -7.495 1.00 0.00 C ATOM 0 H PHE A 383 -4.130 -1.789 -9.373 1.00 0.00 H new ATOM 0 HA PHE A 383 -4.095 -4.539 -10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 383 -2.285 -3.117 -8.926 1.00 0.00 H new ATOM 0 HB3 PHE A 383 -3.218 -3.228 -7.447 1.00 0.00 H new ATOM 0 HD1 PHE A 383 -2.191 -5.662 -10.115 1.00 0.00 H new ATOM 0 HD2 PHE A 383 -2.347 -4.757 -5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 383 -1.126 -7.817 -9.608 1.00 0.00 H new ATOM 0 HE2 PHE A 383 -1.280 -6.910 -5.445 1.00 0.00 H new ATOM 0 HZ PHE A 383 -0.673 -8.447 -7.271 1.00 0.00 H new ATOM 378 N PHE A 384 -6.134 -3.612 -7.664 1.00 0.00 N ATOM 379 CA PHE A 384 -7.224 -4.056 -6.803 1.00 0.00 C ATOM 380 C PHE A 384 -8.284 -4.802 -7.609 1.00 0.00 C ATOM 381 O PHE A 384 -8.678 -5.915 -7.258 1.00 0.00 O ATOM 382 CB PHE A 384 -7.858 -2.861 -6.088 1.00 0.00 C ATOM 383 CG PHE A 384 -8.450 -3.207 -4.752 1.00 0.00 C ATOM 384 CD1 PHE A 384 -9.349 -4.255 -4.628 1.00 0.00 C ATOM 385 CD2 PHE A 384 -8.109 -2.485 -3.620 1.00 0.00 C ATOM 386 CE1 PHE A 384 -9.896 -4.576 -3.400 1.00 0.00 C ATOM 387 CE2 PHE A 384 -8.652 -2.802 -2.389 1.00 0.00 C ATOM 388 CZ PHE A 384 -9.548 -3.848 -2.279 1.00 0.00 C ATOM 0 H PHE A 384 -6.007 -2.600 -7.696 1.00 0.00 H new ATOM 0 HA PHE A 384 -6.811 -4.738 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 384 -7.103 -2.087 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 384 -8.637 -2.439 -6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 384 -9.625 -4.827 -5.501 1.00 0.00 H new ATOM 0 HD2 PHE A 384 -7.411 -1.665 -3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 384 -10.595 -5.395 -3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 384 -8.376 -2.232 -1.514 1.00 0.00 H new ATOM 0 HZ PHE A 384 -9.975 -4.096 -1.319 1.00 0.00 H new ATOM 398 N LEU A 385 -8.742 -4.181 -8.690 1.00 0.00 N ATOM 399 CA LEU A 385 -9.757 -4.784 -9.547 1.00 0.00 C ATOM 400 C LEU A 385 -9.237 -6.067 -10.186 1.00 0.00 C ATOM 401 O LEU A 385 -9.900 -7.104 -10.151 1.00 0.00 O ATOM 402 CB LEU A 385 -10.187 -3.797 -10.633 1.00 0.00 C ATOM 403 CG LEU A 385 -10.357 -2.344 -10.191 1.00 0.00 C ATOM 404 CD1 LEU A 385 -11.045 -1.532 -11.278 1.00 0.00 C ATOM 405 CD2 LEU A 385 -11.144 -2.271 -8.890 1.00 0.00 C ATOM 0 H LEU A 385 -8.427 -3.260 -8.994 1.00 0.00 H new ATOM 0 HA LEU A 385 -10.620 -5.032 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -9.450 -3.828 -11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -11.132 -4.140 -11.054 1.00 0.00 H new ATOM 0 HG LEU A 385 -9.368 -1.919 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -11.157 -0.500 -10.945 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -10.443 -1.557 -12.187 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -12.028 -1.956 -11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -11.255 -1.229 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -12.129 -2.714 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -10.612 -2.818 -8.112 1.00 0.00 H new ATOM 417 N PHE A 386 -8.045 -5.991 -10.769 1.00 0.00 N ATOM 418 CA PHE A 386 -7.435 -7.147 -11.416 1.00 0.00 C ATOM 419 C PHE A 386 -7.192 -8.268 -10.409 1.00 0.00 C ATOM 420 O PHE A 386 -7.327 -9.448 -10.735 1.00 0.00 O ATOM 421 CB PHE A 386 -6.115 -6.749 -12.080 1.00 0.00 C ATOM 422 CG PHE A 386 -5.786 -7.566 -13.297 1.00 0.00 C ATOM 423 CD1 PHE A 386 -5.240 -8.833 -13.169 1.00 0.00 C ATOM 424 CD2 PHE A 386 -6.022 -7.067 -14.568 1.00 0.00 C ATOM 425 CE1 PHE A 386 -4.937 -9.588 -14.286 1.00 0.00 C ATOM 426 CE2 PHE A 386 -5.721 -7.818 -15.688 1.00 0.00 C ATOM 427 CZ PHE A 386 -5.176 -9.079 -15.548 1.00 0.00 C ATOM 0 H PHE A 386 -7.482 -5.141 -10.807 1.00 0.00 H new ATOM 0 HA PHE A 386 -8.123 -7.510 -12.179 1.00 0.00 H new ATOM 0 HB2 PHE A 386 -6.161 -5.697 -12.360 1.00 0.00 H new ATOM 0 HB3 PHE A 386 -5.308 -6.851 -11.355 1.00 0.00 H new ATOM 0 HD1 PHE A 386 -5.049 -9.235 -12.185 1.00 0.00 H new ATOM 0 HD2 PHE A 386 -6.446 -6.080 -14.684 1.00 0.00 H new ATOM 0 HE1 PHE A 386 -4.514 -10.575 -14.173 1.00 0.00 H new ATOM 0 HE2 PHE A 386 -5.912 -7.419 -16.673 1.00 0.00 H new ATOM 0 HZ PHE A 386 -4.937 -9.666 -16.423 1.00 0.00 H new ATOM 437 N ILE A 387 -6.834 -7.890 -9.187 1.00 0.00 N ATOM 438 CA ILE A 387 -6.573 -8.863 -8.133 1.00 0.00 C ATOM 439 C ILE A 387 -7.870 -9.488 -7.629 1.00 0.00 C ATOM 440 O ILE A 387 -7.905 -10.665 -7.268 1.00 0.00 O ATOM 441 CB ILE A 387 -5.830 -8.221 -6.946 1.00 0.00 C ATOM 442 CG1 ILE A 387 -4.338 -8.096 -7.258 1.00 0.00 C ATOM 443 CG2 ILE A 387 -6.046 -9.039 -5.682 1.00 0.00 C ATOM 444 CD1 ILE A 387 -3.638 -9.429 -7.407 1.00 0.00 C ATOM 0 H ILE A 387 -6.718 -6.918 -8.902 1.00 0.00 H new ATOM 0 HA ILE A 387 -5.943 -9.639 -8.568 1.00 0.00 H new ATOM 0 HB ILE A 387 -6.232 -7.221 -6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 387 -4.214 -7.525 -8.178 1.00 0.00 H new ATOM 0 HG13 ILE A 387 -3.855 -7.528 -6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 387 -5.515 -8.573 -4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 387 -7.111 -9.081 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 387 -5.667 -10.050 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 387 -2.583 -9.264 -7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 387 -3.731 -9.994 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 387 -4.095 -9.991 -8.222 1.00 0.00 H new ATOM 456 N LEU A 388 -8.934 -8.693 -7.608 1.00 0.00 N ATOM 457 CA LEU A 388 -10.235 -9.168 -7.149 1.00 0.00 C ATOM 458 C LEU A 388 -10.756 -10.282 -8.051 1.00 0.00 C ATOM 459 O LEU A 388 -11.211 -11.322 -7.573 1.00 0.00 O ATOM 460 CB LEU A 388 -11.238 -8.014 -7.114 1.00 0.00 C ATOM 461 CG LEU A 388 -11.158 -7.093 -5.896 1.00 0.00 C ATOM 462 CD1 LEU A 388 -11.940 -5.812 -6.143 1.00 0.00 C ATOM 463 CD2 LEU A 388 -11.674 -7.804 -4.654 1.00 0.00 C ATOM 0 H LEU A 388 -8.922 -7.717 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 388 -10.114 -9.567 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 388 -11.099 -7.410 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 388 -12.244 -8.431 -7.164 1.00 0.00 H new ATOM 0 HG LEU A 388 -10.113 -6.831 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 388 -11.872 -5.169 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 388 -11.524 -5.293 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 388 -12.985 -6.055 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 388 -11.609 -7.133 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 388 -12.713 -8.097 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 388 -11.070 -8.692 -4.466 1.00 0.00 H new ATOM 475 N VAL A 389 -10.685 -10.059 -9.360 1.00 0.00 N ATOM 476 CA VAL A 389 -11.147 -11.045 -10.330 1.00 0.00 C ATOM 477 C VAL A 389 -10.160 -12.201 -10.451 1.00 0.00 C ATOM 478 O VAL A 389 -10.555 -13.356 -10.607 1.00 0.00 O ATOM 479 CB VAL A 389 -11.353 -10.413 -11.719 1.00 0.00 C ATOM 480 CG1 VAL A 389 -11.898 -11.441 -12.698 1.00 0.00 C ATOM 481 CG2 VAL A 389 -12.281 -9.211 -11.624 1.00 0.00 C ATOM 0 H VAL A 389 -10.312 -9.204 -9.773 1.00 0.00 H new ATOM 0 HA VAL A 389 -12.102 -11.423 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 389 -10.387 -10.070 -12.090 1.00 0.00 H new ATOM 0 HG11 VAL A 389 -12.037 -10.976 -13.674 1.00 0.00 H new ATOM 0 HG12 VAL A 389 -11.193 -12.268 -12.787 1.00 0.00 H new ATOM 0 HG13 VAL A 389 -12.855 -11.817 -12.336 1.00 0.00 H new ATOM 0 HG21 VAL A 389 -12.416 -8.776 -12.614 1.00 0.00 H new ATOM 0 HG22 VAL A 389 -13.248 -9.528 -11.232 1.00 0.00 H new ATOM 0 HG23 VAL A 389 -11.845 -8.467 -10.957 1.00 0.00 H new ATOM 491 N VAL A 390 -8.871 -11.881 -10.379 1.00 0.00 N ATOM 492 CA VAL A 390 -7.826 -12.893 -10.479 1.00 0.00 C ATOM 493 C VAL A 390 -7.802 -13.782 -9.241 1.00 0.00 C ATOM 494 O VAL A 390 -7.873 -15.007 -9.343 1.00 0.00 O ATOM 495 CB VAL A 390 -6.438 -12.249 -10.662 1.00 0.00 C ATOM 496 CG1 VAL A 390 -5.340 -13.234 -10.291 1.00 0.00 C ATOM 497 CG2 VAL A 390 -6.264 -11.758 -12.091 1.00 0.00 C ATOM 0 H VAL A 390 -8.526 -10.930 -10.252 1.00 0.00 H new ATOM 0 HA VAL A 390 -8.056 -13.500 -11.354 1.00 0.00 H new ATOM 0 HB VAL A 390 -6.364 -11.390 -9.995 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.367 -12.762 -10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.456 -13.533 -9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.409 -14.114 -10.931 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.278 -11.306 -12.203 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -6.358 -12.599 -12.779 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -7.031 -11.017 -12.317 1.00 0.00 H new ATOM 507 N ALA A 391 -7.702 -13.158 -8.072 1.00 0.00 N ATOM 508 CA ALA A 391 -7.671 -13.893 -6.814 1.00 0.00 C ATOM 509 C ALA A 391 -8.948 -14.704 -6.620 1.00 0.00 C ATOM 510 O ALA A 391 -8.904 -15.854 -6.185 1.00 0.00 O ATOM 511 CB ALA A 391 -7.469 -12.936 -5.648 1.00 0.00 C ATOM 0 H ALA A 391 -7.641 -12.145 -7.970 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.832 -14.588 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -7.448 -13.499 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -6.526 -12.405 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.289 -12.218 -5.620 1.00 0.00 H new ATOM 517 N ALA A 392 -10.084 -14.096 -6.945 1.00 0.00 N ATOM 518 CA ALA A 392 -11.373 -14.763 -6.808 1.00 0.00 C ATOM 519 C ALA A 392 -11.416 -16.049 -7.626 1.00 0.00 C ATOM 520 O ALA A 392 -11.777 -17.110 -7.115 1.00 0.00 O ATOM 521 CB ALA A 392 -12.498 -13.829 -7.232 1.00 0.00 C ATOM 0 H ALA A 392 -10.138 -13.143 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 392 -11.508 -15.026 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 392 -13.455 -14.340 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 392 -12.489 -12.939 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 392 -12.357 -13.538 -8.273 1.00 0.00 H new ATOM 527 N VAL A 393 -11.045 -15.949 -8.898 1.00 0.00 N ATOM 528 CA VAL A 393 -11.041 -17.106 -9.787 1.00 0.00 C ATOM 529 C VAL A 393 -10.040 -18.155 -9.317 1.00 0.00 C ATOM 530 O VAL A 393 -10.392 -19.316 -9.108 1.00 0.00 O ATOM 531 CB VAL A 393 -10.703 -16.701 -11.234 1.00 0.00 C ATOM 532 CG1 VAL A 393 -10.607 -17.930 -12.124 1.00 0.00 C ATOM 533 CG2 VAL A 393 -11.739 -15.724 -11.769 1.00 0.00 C ATOM 0 H VAL A 393 -10.743 -15.079 -9.337 1.00 0.00 H new ATOM 0 HA VAL A 393 -12.045 -17.529 -9.762 1.00 0.00 H new ATOM 0 HB VAL A 393 -9.733 -16.204 -11.237 1.00 0.00 H new ATOM 0 HG11 VAL A 393 -10.368 -17.624 -13.142 1.00 0.00 H new ATOM 0 HG12 VAL A 393 -9.824 -18.590 -11.750 1.00 0.00 H new ATOM 0 HG13 VAL A 393 -11.560 -18.458 -12.119 1.00 0.00 H new ATOM 0 HG21 VAL A 393 -11.485 -15.448 -12.792 1.00 0.00 H new ATOM 0 HG22 VAL A 393 -12.723 -16.192 -11.753 1.00 0.00 H new ATOM 0 HG23 VAL A 393 -11.752 -14.830 -11.145 1.00 0.00 H new ATOM 543 N THR A 394 -8.788 -17.739 -9.152 1.00 0.00 N ATOM 544 CA THR A 394 -7.735 -18.643 -8.708 1.00 0.00 C ATOM 545 C THR A 394 -8.104 -19.312 -7.389 1.00 0.00 C ATOM 546 O THR A 394 -7.953 -20.524 -7.232 1.00 0.00 O ATOM 547 CB THR A 394 -6.394 -17.903 -8.537 1.00 0.00 C ATOM 548 OG1 THR A 394 -5.992 -17.325 -9.784 1.00 0.00 O ATOM 549 CG2 THR A 394 -5.313 -18.850 -8.039 1.00 0.00 C ATOM 0 H THR A 394 -8.479 -16.781 -9.319 1.00 0.00 H new ATOM 0 HA THR A 394 -7.626 -19.404 -9.481 1.00 0.00 H new ATOM 0 HB THR A 394 -6.531 -17.113 -7.798 1.00 0.00 H new ATOM 0 HG1 THR A 394 -6.468 -16.479 -9.921 1.00 0.00 H new ATOM 0 HG21 THR A 394 -4.376 -18.305 -7.926 1.00 0.00 H new ATOM 0 HG22 THR A 394 -5.609 -19.266 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 394 -5.178 -19.658 -8.758 1.00 0.00 H new ATOM 557 N LEU A 395 -8.590 -18.516 -6.443 1.00 0.00 N ATOM 558 CA LEU A 395 -8.983 -19.031 -5.136 1.00 0.00 C ATOM 559 C LEU A 395 -10.153 -20.002 -5.263 1.00 0.00 C ATOM 560 O LEU A 395 -10.232 -20.992 -4.535 1.00 0.00 O ATOM 561 CB LEU A 395 -9.360 -17.879 -4.204 1.00 0.00 C ATOM 562 CG LEU A 395 -8.198 -17.038 -3.673 1.00 0.00 C ATOM 563 CD1 LEU A 395 -8.696 -15.683 -3.195 1.00 0.00 C ATOM 564 CD2 LEU A 395 -7.479 -17.771 -2.550 1.00 0.00 C ATOM 0 H LEU A 395 -8.721 -17.511 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 395 -8.133 -19.568 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 395 -10.047 -17.219 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 395 -9.904 -18.289 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 395 -7.490 -16.876 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 395 -7.856 -15.098 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 395 -9.165 -15.154 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 395 -9.424 -15.824 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 395 -6.655 -17.158 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 395 -8.177 -17.964 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 395 -7.089 -18.717 -2.925 1.00 0.00 H new ATOM 576 N CYS A 396 -11.057 -19.712 -6.192 1.00 0.00 N ATOM 577 CA CYS A 396 -12.222 -20.560 -6.415 1.00 0.00 C ATOM 578 C CYS A 396 -11.818 -21.882 -7.059 1.00 0.00 C ATOM 579 O CYS A 396 -12.280 -22.949 -6.653 1.00 0.00 O ATOM 580 CB CYS A 396 -13.241 -19.840 -7.299 1.00 0.00 C ATOM 581 SG CYS A 396 -14.301 -18.677 -6.407 1.00 0.00 S ATOM 0 H CYS A 396 -11.006 -18.897 -6.803 1.00 0.00 H new ATOM 0 HA CYS A 396 -12.676 -20.772 -5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 396 -12.709 -19.302 -8.084 1.00 0.00 H new ATOM 0 HB3 CYS A 396 -13.869 -20.583 -7.791 1.00 0.00 H new ATOM 0 HG CYS A 396 -13.670 -17.552 -6.243 1.00 0.00 H new ATOM 587 N ARG A 397 -10.953 -21.804 -8.065 1.00 0.00 N ATOM 588 CA ARG A 397 -10.488 -22.995 -8.767 1.00 0.00 C ATOM 589 C ARG A 397 -9.286 -23.610 -8.057 1.00 0.00 C ATOM 590 O ARG A 397 -8.679 -24.561 -8.551 1.00 0.00 O ATOM 591 CB ARG A 397 -10.120 -22.650 -10.211 1.00 0.00 C ATOM 592 CG ARG A 397 -11.317 -22.583 -11.146 1.00 0.00 C ATOM 593 CD ARG A 397 -12.249 -21.441 -10.776 1.00 0.00 C ATOM 594 NE ARG A 397 -13.164 -21.106 -11.865 1.00 0.00 N ATOM 595 CZ ARG A 397 -14.202 -21.859 -12.210 1.00 0.00 C ATOM 596 NH1 ARG A 397 -14.456 -22.984 -11.555 1.00 0.00 N ATOM 597 NH2 ARG A 397 -14.988 -21.488 -13.212 1.00 0.00 N ATOM 0 H ARG A 397 -10.560 -20.929 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 397 -11.298 -23.724 -8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 397 -9.604 -21.690 -10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 397 -9.418 -23.395 -10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 397 -10.972 -22.455 -12.172 1.00 0.00 H new ATOM 0 HG3 ARG A 397 -11.862 -23.526 -11.109 1.00 0.00 H new ATOM 0 HD2 ARG A 397 -12.824 -21.714 -9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 397 -11.660 -20.562 -10.515 1.00 0.00 H new ATOM 0 HE ARG A 397 -12.996 -20.247 -12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -13.853 -23.273 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -15.254 -23.561 -11.822 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -14.795 -20.624 -13.718 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -15.785 -22.067 -13.476 1.00 0.00 H new ATOM 912 N ILE B 376 -6.869 8.065 -0.011 1.00 0.00 N ATOM 913 CA ILE B 376 -7.507 7.062 -0.855 1.00 0.00 C ATOM 914 C ILE B 376 -6.486 6.063 -1.388 1.00 0.00 C ATOM 915 O ILE B 376 -6.834 4.942 -1.761 1.00 0.00 O ATOM 916 CB ILE B 376 -8.242 7.711 -2.043 1.00 0.00 C ATOM 917 CG1 ILE B 376 -8.952 8.990 -1.595 1.00 0.00 C ATOM 918 CG2 ILE B 376 -9.236 6.732 -2.650 1.00 0.00 C ATOM 919 CD1 ILE B 376 -9.831 9.599 -2.664 1.00 0.00 C ATOM 0 HA ILE B 376 -8.232 6.539 -0.231 1.00 0.00 H new ATOM 0 HB ILE B 376 -7.508 7.973 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE B 376 -9.560 8.770 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE B 376 -8.205 9.723 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE B 376 -9.747 7.205 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE B 376 -8.706 5.847 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE B 376 -9.968 6.442 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE B 376 -10.302 10.502 -2.276 1.00 0.00 H new ATOM 0 HD12 ILE B 376 -9.224 9.851 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE B 376 -10.601 8.884 -2.953 1.00 0.00 H new ATOM 931 N LEU B 377 -5.223 6.476 -1.421 1.00 0.00 N ATOM 932 CA LEU B 377 -4.149 5.616 -1.906 1.00 0.00 C ATOM 933 C LEU B 377 -3.967 4.406 -0.996 1.00 0.00 C ATOM 934 O LEU B 377 -3.673 3.305 -1.461 1.00 0.00 O ATOM 935 CB LEU B 377 -2.841 6.403 -1.997 1.00 0.00 C ATOM 936 CG LEU B 377 -2.658 7.259 -3.251 1.00 0.00 C ATOM 937 CD1 LEU B 377 -1.489 8.217 -3.077 1.00 0.00 C ATOM 938 CD2 LEU B 377 -2.450 6.377 -4.473 1.00 0.00 C ATOM 0 H LEU B 377 -4.918 7.401 -1.118 1.00 0.00 H new ATOM 0 HA LEU B 377 -4.422 5.261 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU B 377 -2.770 7.053 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU B 377 -2.012 5.698 -1.938 1.00 0.00 H new ATOM 0 HG LEU B 377 -3.563 7.847 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU B 377 -1.374 8.818 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU B 377 -1.679 8.872 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU B 377 -0.576 7.649 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU B 377 -2.322 7.003 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU B 377 -1.561 5.763 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU B 377 -3.318 5.732 -4.609 1.00 0.00 H new ATOM 950 N SER B 378 -4.144 4.618 0.304 1.00 0.00 N ATOM 951 CA SER B 378 -3.997 3.545 1.281 1.00 0.00 C ATOM 952 C SER B 378 -4.782 2.310 0.853 1.00 0.00 C ATOM 953 O SER B 378 -4.376 1.178 1.119 1.00 0.00 O ATOM 954 CB SER B 378 -4.470 4.013 2.659 1.00 0.00 C ATOM 955 OG SER B 378 -5.856 4.309 2.648 1.00 0.00 O ATOM 0 H SER B 378 -4.389 5.523 0.705 1.00 0.00 H new ATOM 0 HA SER B 378 -2.941 3.281 1.338 1.00 0.00 H new ATOM 0 HB2 SER B 378 -4.266 3.239 3.399 1.00 0.00 H new ATOM 0 HB3 SER B 378 -3.908 4.898 2.959 1.00 0.00 H new ATOM 0 HG SER B 378 -6.135 4.604 3.540 1.00 0.00 H new ATOM 961 N TYR B 379 -5.910 2.535 0.188 1.00 0.00 N ATOM 962 CA TYR B 379 -6.756 1.441 -0.275 1.00 0.00 C ATOM 963 C TYR B 379 -6.062 0.645 -1.376 1.00 0.00 C ATOM 964 O TYR B 379 -5.933 -0.576 -1.289 1.00 0.00 O ATOM 965 CB TYR B 379 -8.092 1.982 -0.787 1.00 0.00 C ATOM 966 CG TYR B 379 -9.176 0.932 -0.878 1.00 0.00 C ATOM 967 CD1 TYR B 379 -9.638 0.282 0.260 1.00 0.00 C ATOM 968 CD2 TYR B 379 -9.738 0.590 -2.101 1.00 0.00 C ATOM 969 CE1 TYR B 379 -10.628 -0.678 0.181 1.00 0.00 C ATOM 970 CE2 TYR B 379 -10.730 -0.368 -2.189 1.00 0.00 C ATOM 971 CZ TYR B 379 -11.170 -1.000 -1.045 1.00 0.00 C ATOM 972 OH TYR B 379 -12.158 -1.955 -1.128 1.00 0.00 O ATOM 0 H TYR B 379 -6.260 3.465 -0.042 1.00 0.00 H new ATOM 0 HA TYR B 379 -6.941 0.776 0.569 1.00 0.00 H new ATOM 0 HB2 TYR B 379 -8.427 2.782 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR B 379 -7.942 2.424 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR B 379 -9.216 0.532 1.222 1.00 0.00 H new ATOM 0 HD2 TYR B 379 -9.394 1.081 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR B 379 -10.976 -1.174 1.075 1.00 0.00 H new ATOM 0 HE2 TYR B 379 -11.158 -0.620 -3.148 1.00 0.00 H new ATOM 0 HH TYR B 379 -11.781 -2.786 -1.485 1.00 0.00 H new ATOM 982 N GLY B 380 -5.615 1.347 -2.413 1.00 0.00 N ATOM 983 CA GLY B 380 -4.939 0.691 -3.517 1.00 0.00 C ATOM 984 C GLY B 380 -3.584 0.137 -3.121 1.00 0.00 C ATOM 985 O GLY B 380 -3.299 -1.040 -3.337 1.00 0.00 O ATOM 0 H GLY B 380 -5.709 2.358 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY B 380 -5.564 -0.120 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY B 380 -4.813 1.400 -4.335 1.00 0.00 H new ATOM 989 N VAL B 381 -2.745 0.989 -2.540 1.00 0.00 N ATOM 990 CA VAL B 381 -1.413 0.579 -2.113 1.00 0.00 C ATOM 991 C VAL B 381 -1.488 -0.470 -1.009 1.00 0.00 C ATOM 992 O VAL B 381 -0.882 -1.536 -1.109 1.00 0.00 O ATOM 993 CB VAL B 381 -0.591 1.780 -1.609 1.00 0.00 C ATOM 994 CG1 VAL B 381 0.880 1.410 -1.494 1.00 0.00 C ATOM 995 CG2 VAL B 381 -0.777 2.977 -2.529 1.00 0.00 C ATOM 0 H VAL B 381 -2.965 1.968 -2.354 1.00 0.00 H new ATOM 0 HA VAL B 381 -0.919 0.150 -2.985 1.00 0.00 H new ATOM 0 HB VAL B 381 -0.951 2.053 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL B 381 1.445 2.271 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL B 381 0.994 0.584 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL B 381 1.257 1.109 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL B 381 -0.189 3.816 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL B 381 -0.445 2.718 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL B 381 -1.830 3.256 -2.555 1.00 0.00 H new ATOM 1005 N GLY B 382 -2.238 -0.161 0.044 1.00 0.00 N ATOM 1006 CA GLY B 382 -2.380 -1.087 1.152 1.00 0.00 C ATOM 1007 C GLY B 382 -2.793 -2.474 0.699 1.00 0.00 C ATOM 1008 O GLY B 382 -2.217 -3.473 1.128 1.00 0.00 O ATOM 0 H GLY B 382 -2.750 0.715 0.150 1.00 0.00 H new ATOM 0 HA2 GLY B 382 -1.435 -1.151 1.692 1.00 0.00 H new ATOM 0 HA3 GLY B 382 -3.121 -0.701 1.852 1.00 0.00 H new ATOM 1012 N PHE B 383 -3.797 -2.535 -0.170 1.00 0.00 N ATOM 1013 CA PHE B 383 -4.289 -3.810 -0.680 1.00 0.00 C ATOM 1014 C PHE B 383 -3.230 -4.500 -1.535 1.00 0.00 C ATOM 1015 O PHE B 383 -3.147 -5.728 -1.569 1.00 0.00 O ATOM 1016 CB PHE B 383 -5.564 -3.597 -1.500 1.00 0.00 C ATOM 1017 CG PHE B 383 -6.308 -4.869 -1.791 1.00 0.00 C ATOM 1018 CD1 PHE B 383 -6.727 -5.694 -0.760 1.00 0.00 C ATOM 1019 CD2 PHE B 383 -6.590 -5.239 -3.096 1.00 0.00 C ATOM 1020 CE1 PHE B 383 -7.412 -6.864 -1.025 1.00 0.00 C ATOM 1021 CE2 PHE B 383 -7.274 -6.408 -3.368 1.00 0.00 C ATOM 1022 CZ PHE B 383 -7.687 -7.222 -2.331 1.00 0.00 C ATOM 0 H PHE B 383 -4.285 -1.717 -0.535 1.00 0.00 H new ATOM 0 HA PHE B 383 -4.516 -4.451 0.172 1.00 0.00 H new ATOM 0 HB2 PHE B 383 -6.223 -2.915 -0.962 1.00 0.00 H new ATOM 0 HB3 PHE B 383 -5.304 -3.113 -2.442 1.00 0.00 H new ATOM 0 HD1 PHE B 383 -6.516 -5.419 0.263 1.00 0.00 H new ATOM 0 HD2 PHE B 383 -6.271 -4.606 -3.911 1.00 0.00 H new ATOM 0 HE1 PHE B 383 -7.732 -7.499 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE B 383 -7.486 -6.685 -4.390 1.00 0.00 H new ATOM 0 HZ PHE B 383 -8.223 -8.136 -2.540 1.00 0.00 H new ATOM 1032 N PHE B 384 -2.423 -3.701 -2.224 1.00 0.00 N ATOM 1033 CA PHE B 384 -1.370 -4.233 -3.081 1.00 0.00 C ATOM 1034 C PHE B 384 -0.364 -5.042 -2.267 1.00 0.00 C ATOM 1035 O PHE B 384 -0.052 -6.185 -2.604 1.00 0.00 O ATOM 1036 CB PHE B 384 -0.654 -3.095 -3.812 1.00 0.00 C ATOM 1037 CG PHE B 384 -0.087 -3.501 -5.143 1.00 0.00 C ATOM 1038 CD1 PHE B 384 0.737 -4.609 -5.252 1.00 0.00 C ATOM 1039 CD2 PHE B 384 -0.379 -2.773 -6.285 1.00 0.00 C ATOM 1040 CE1 PHE B 384 1.259 -4.985 -6.475 1.00 0.00 C ATOM 1041 CE2 PHE B 384 0.141 -3.144 -7.511 1.00 0.00 C ATOM 1042 CZ PHE B 384 0.961 -4.251 -7.606 1.00 0.00 C ATOM 0 H PHE B 384 -2.478 -2.683 -2.206 1.00 0.00 H new ATOM 0 HA PHE B 384 -1.832 -4.893 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE B 384 -1.353 -2.272 -3.960 1.00 0.00 H new ATOM 0 HB3 PHE B 384 0.152 -2.719 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE B 384 0.974 -5.186 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE B 384 -1.020 -1.906 -6.217 1.00 0.00 H new ATOM 0 HE1 PHE B 384 1.899 -5.852 -6.546 1.00 0.00 H new ATOM 0 HE2 PHE B 384 -0.094 -2.568 -8.394 1.00 0.00 H new ATOM 0 HZ PHE B 384 1.368 -4.542 -8.563 1.00 0.00 H new ATOM 1052 N LEU B 385 0.140 -4.442 -1.195 1.00 0.00 N ATOM 1053 CA LEU B 385 1.112 -5.105 -0.333 1.00 0.00 C ATOM 1054 C LEU B 385 0.501 -6.337 0.328 1.00 0.00 C ATOM 1055 O LEU B 385 1.087 -7.420 0.307 1.00 0.00 O ATOM 1056 CB LEU B 385 1.617 -4.137 0.738 1.00 0.00 C ATOM 1057 CG LEU B 385 1.889 -2.705 0.274 1.00 0.00 C ATOM 1058 CD1 LEU B 385 2.640 -1.930 1.346 1.00 0.00 C ATOM 1059 CD2 LEU B 385 2.671 -2.707 -1.031 1.00 0.00 C ATOM 0 H LEU B 385 -0.108 -3.497 -0.902 1.00 0.00 H new ATOM 0 HA LEU B 385 1.951 -5.424 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU B 385 0.884 -4.103 1.544 1.00 0.00 H new ATOM 0 HB3 LEU B 385 2.537 -4.542 1.161 1.00 0.00 H new ATOM 0 HG LEU B 385 0.933 -2.212 0.101 1.00 0.00 H new ATOM 0 HD11 LEU B 385 2.825 -0.914 0.998 1.00 0.00 H new ATOM 0 HD12 LEU B 385 2.043 -1.899 2.258 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.591 -2.422 1.551 1.00 0.00 H new ATOM 0 HD21 LEU B 385 2.856 -1.680 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU B 385 3.623 -3.218 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU B 385 2.096 -3.224 -1.799 1.00 0.00 H new ATOM 1071 N PHE B 386 -0.680 -6.166 0.911 1.00 0.00 N ATOM 1072 CA PHE B 386 -1.371 -7.264 1.577 1.00 0.00 C ATOM 1073 C PHE B 386 -1.696 -8.380 0.589 1.00 0.00 C ATOM 1074 O PHE B 386 -1.648 -9.561 0.933 1.00 0.00 O ATOM 1075 CB PHE B 386 -2.657 -6.761 2.236 1.00 0.00 C ATOM 1076 CG PHE B 386 -3.042 -7.534 3.465 1.00 0.00 C ATOM 1077 CD1 PHE B 386 -3.662 -8.768 3.357 1.00 0.00 C ATOM 1078 CD2 PHE B 386 -2.785 -7.026 4.728 1.00 0.00 C ATOM 1079 CE1 PHE B 386 -4.018 -9.483 4.486 1.00 0.00 C ATOM 1080 CE2 PHE B 386 -3.138 -7.735 5.860 1.00 0.00 C ATOM 1081 CZ PHE B 386 -3.756 -8.965 5.739 1.00 0.00 C ATOM 0 H PHE B 386 -1.179 -5.277 0.936 1.00 0.00 H new ATOM 0 HA PHE B 386 -0.710 -7.664 2.346 1.00 0.00 H new ATOM 0 HB2 PHE B 386 -2.534 -5.711 2.501 1.00 0.00 H new ATOM 0 HB3 PHE B 386 -3.471 -6.814 1.513 1.00 0.00 H new ATOM 0 HD1 PHE B 386 -3.870 -9.177 2.379 1.00 0.00 H new ATOM 0 HD2 PHE B 386 -2.303 -6.065 4.829 1.00 0.00 H new ATOM 0 HE1 PHE B 386 -4.500 -10.445 4.388 1.00 0.00 H new ATOM 0 HE2 PHE B 386 -2.931 -7.328 6.839 1.00 0.00 H new ATOM 0 HZ PHE B 386 -4.034 -9.520 6.623 1.00 0.00 H new ATOM 1091 N ILE B 387 -2.027 -7.997 -0.640 1.00 0.00 N ATOM 1092 CA ILE B 387 -2.360 -8.964 -1.678 1.00 0.00 C ATOM 1093 C ILE B 387 -1.113 -9.692 -2.171 1.00 0.00 C ATOM 1094 O ILE B 387 -1.165 -10.875 -2.509 1.00 0.00 O ATOM 1095 CB ILE B 387 -3.053 -8.289 -2.876 1.00 0.00 C ATOM 1096 CG1 ILE B 387 -4.533 -8.051 -2.568 1.00 0.00 C ATOM 1097 CG2 ILE B 387 -2.897 -9.139 -4.127 1.00 0.00 C ATOM 1098 CD1 ILE B 387 -5.328 -9.327 -2.398 1.00 0.00 C ATOM 0 H ILE B 387 -2.072 -7.023 -0.941 1.00 0.00 H new ATOM 0 HA ILE B 387 -3.046 -9.683 -1.230 1.00 0.00 H new ATOM 0 HB ILE B 387 -2.578 -7.324 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE B 387 -4.615 -7.457 -1.658 1.00 0.00 H new ATOM 0 HG13 ILE B 387 -4.973 -7.463 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE B 387 -3.392 -8.648 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE B 387 -1.838 -9.262 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE B 387 -3.349 -10.117 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE B 387 -6.368 -9.082 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE B 387 -5.277 -9.913 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE B 387 -4.913 -9.907 -1.574 1.00 0.00 H new ATOM 1110 N LEU B 388 0.006 -8.977 -2.208 1.00 0.00 N ATOM 1111 CA LEU B 388 1.268 -9.555 -2.658 1.00 0.00 C ATOM 1112 C LEU B 388 1.708 -10.688 -1.735 1.00 0.00 C ATOM 1113 O LEU B 388 2.088 -11.764 -2.195 1.00 0.00 O ATOM 1114 CB LEU B 388 2.353 -8.478 -2.715 1.00 0.00 C ATOM 1115 CG LEU B 388 2.335 -7.573 -3.947 1.00 0.00 C ATOM 1116 CD1 LEU B 388 3.208 -6.348 -3.722 1.00 0.00 C ATOM 1117 CD2 LEU B 388 2.795 -8.339 -5.179 1.00 0.00 C ATOM 0 H LEU B 388 0.065 -7.997 -1.932 1.00 0.00 H new ATOM 0 HA LEU B 388 1.117 -9.963 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU B 388 2.262 -7.852 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU B 388 3.326 -8.967 -2.662 1.00 0.00 H new ATOM 0 HG LEU B 388 1.311 -7.239 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU B 388 3.183 -5.715 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU B 388 2.834 -5.787 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU B 388 4.234 -6.663 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU B 388 2.776 -7.679 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU B 388 3.810 -8.703 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU B 388 2.129 -9.184 -5.352 1.00 0.00 H new ATOM 1129 N VAL B 389 1.651 -10.438 -0.431 1.00 0.00 N ATOM 1130 CA VAL B 389 2.040 -11.437 0.557 1.00 0.00 C ATOM 1131 C VAL B 389 0.972 -12.516 0.697 1.00 0.00 C ATOM 1132 O VAL B 389 1.284 -13.695 0.869 1.00 0.00 O ATOM 1133 CB VAL B 389 2.291 -10.796 1.935 1.00 0.00 C ATOM 1134 CG1 VAL B 389 2.781 -11.839 2.927 1.00 0.00 C ATOM 1135 CG2 VAL B 389 3.286 -9.652 1.816 1.00 0.00 C ATOM 0 H VAL B 389 1.339 -9.552 -0.034 1.00 0.00 H new ATOM 0 HA VAL B 389 2.966 -11.890 0.202 1.00 0.00 H new ATOM 0 HB VAL B 389 1.349 -10.391 2.306 1.00 0.00 H new ATOM 0 HG11 VAL B 389 2.953 -11.368 3.895 1.00 0.00 H new ATOM 0 HG12 VAL B 389 2.030 -12.622 3.033 1.00 0.00 H new ATOM 0 HG13 VAL B 389 3.712 -12.276 2.566 1.00 0.00 H new ATOM 0 HG21 VAL B 389 3.452 -9.210 2.799 1.00 0.00 H new ATOM 0 HG22 VAL B 389 4.230 -10.030 1.424 1.00 0.00 H new ATOM 0 HG23 VAL B 389 2.890 -8.894 1.140 1.00 0.00 H new ATOM 1145 N VAL B 390 -0.290 -12.106 0.621 1.00 0.00 N ATOM 1146 CA VAL B 390 -1.405 -13.037 0.738 1.00 0.00 C ATOM 1147 C VAL B 390 -1.494 -13.944 -0.485 1.00 0.00 C ATOM 1148 O VAL B 390 -1.509 -15.169 -0.362 1.00 0.00 O ATOM 1149 CB VAL B 390 -2.743 -12.293 0.909 1.00 0.00 C ATOM 1150 CG1 VAL B 390 -3.909 -13.203 0.555 1.00 0.00 C ATOM 1151 CG2 VAL B 390 -2.880 -11.764 2.329 1.00 0.00 C ATOM 0 H VAL B 390 -0.566 -11.134 0.479 1.00 0.00 H new ATOM 0 HA VAL B 390 -1.219 -13.643 1.625 1.00 0.00 H new ATOM 0 HB VAL B 390 -2.757 -11.443 0.226 1.00 0.00 H new ATOM 0 HG11 VAL B 390 -4.846 -12.660 0.682 1.00 0.00 H new ATOM 0 HG12 VAL B 390 -3.815 -13.528 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL B 390 -3.903 -14.074 1.210 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -3.831 -11.241 2.432 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -2.845 -12.596 3.032 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.062 -11.075 2.541 1.00 0.00 H new ATOM 1161 N ALA B 391 -1.551 -13.335 -1.664 1.00 0.00 N ATOM 1162 CA ALA B 391 -1.635 -14.087 -2.910 1.00 0.00 C ATOM 1163 C ALA B 391 -0.423 -14.995 -3.086 1.00 0.00 C ATOM 1164 O ALA B 391 -0.555 -16.154 -3.477 1.00 0.00 O ATOM 1165 CB ALA B 391 -1.763 -13.138 -4.092 1.00 0.00 C ATOM 0 H ALA B 391 -1.541 -12.322 -1.783 1.00 0.00 H new ATOM 0 HA ALA B 391 -2.524 -14.716 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA B 391 -1.825 -13.713 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA B 391 -2.664 -12.536 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA B 391 -0.892 -12.484 -4.130 1.00 0.00 H new ATOM 1171 N ALA B 392 0.759 -14.459 -2.795 1.00 0.00 N ATOM 1172 CA ALA B 392 1.995 -15.222 -2.921 1.00 0.00 C ATOM 1173 C ALA B 392 1.945 -16.490 -2.075 1.00 0.00 C ATOM 1174 O ALA B 392 2.230 -17.584 -2.562 1.00 0.00 O ATOM 1175 CB ALA B 392 3.186 -14.365 -2.521 1.00 0.00 C ATOM 0 H ALA B 392 0.886 -13.500 -2.471 1.00 0.00 H new ATOM 0 HA ALA B 392 2.107 -15.517 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA B 392 4.102 -14.947 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA B 392 3.240 -13.491 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA B 392 3.071 -14.042 -1.486 1.00 0.00 H new ATOM 1181 N VAL B 393 1.583 -16.336 -0.806 1.00 0.00 N ATOM 1182 CA VAL B 393 1.496 -17.469 0.108 1.00 0.00 C ATOM 1183 C VAL B 393 0.396 -18.435 -0.318 1.00 0.00 C ATOM 1184 O VAL B 393 0.639 -19.627 -0.505 1.00 0.00 O ATOM 1185 CB VAL B 393 1.228 -17.006 1.552 1.00 0.00 C ATOM 1186 CG1 VAL B 393 1.050 -18.204 2.473 1.00 0.00 C ATOM 1187 CG2 VAL B 393 2.355 -16.110 2.042 1.00 0.00 C ATOM 0 H VAL B 393 1.345 -15.437 -0.387 1.00 0.00 H new ATOM 0 HA VAL B 393 2.458 -17.980 0.072 1.00 0.00 H new ATOM 0 HB VAL B 393 0.304 -16.428 1.564 1.00 0.00 H new ATOM 0 HG11 VAL B 393 0.862 -17.857 3.489 1.00 0.00 H new ATOM 0 HG12 VAL B 393 0.206 -18.803 2.132 1.00 0.00 H new ATOM 0 HG13 VAL B 393 1.955 -18.811 2.459 1.00 0.00 H new ATOM 0 HG21 VAL B 393 2.149 -15.792 3.064 1.00 0.00 H new ATOM 0 HG22 VAL B 393 3.295 -16.661 2.016 1.00 0.00 H new ATOM 0 HG23 VAL B 393 2.430 -15.234 1.398 1.00 0.00 H new ATOM 1197 N THR B 394 -0.817 -17.912 -0.470 1.00 0.00 N ATOM 1198 CA THR B 394 -1.956 -18.727 -0.873 1.00 0.00 C ATOM 1199 C THR B 394 -1.671 -19.463 -2.177 1.00 0.00 C ATOM 1200 O THR B 394 -2.022 -20.634 -2.330 1.00 0.00 O ATOM 1201 CB THR B 394 -3.225 -17.872 -1.046 1.00 0.00 C ATOM 1202 OG1 THR B 394 -3.527 -17.190 0.176 1.00 0.00 O ATOM 1203 CG2 THR B 394 -4.408 -18.737 -1.456 1.00 0.00 C ATOM 0 H THR B 394 -1.036 -16.927 -0.320 1.00 0.00 H new ATOM 0 HA THR B 394 -2.122 -19.454 -0.078 1.00 0.00 H new ATOM 0 HB THR B 394 -3.039 -17.141 -1.833 1.00 0.00 H new ATOM 0 HG1 THR B 394 -2.959 -16.395 0.256 1.00 0.00 H new ATOM 0 HG21 THR B 394 -5.293 -18.112 -1.572 1.00 0.00 H new ATOM 0 HG22 THR B 394 -4.187 -19.232 -2.402 1.00 0.00 H new ATOM 0 HG23 THR B 394 -4.593 -19.488 -0.688 1.00 0.00 H new ATOM 1211 N LEU B 395 -1.031 -18.772 -3.114 1.00 0.00 N ATOM 1212 CA LEU B 395 -0.698 -19.361 -4.406 1.00 0.00 C ATOM 1213 C LEU B 395 0.414 -20.396 -4.262 1.00 0.00 C ATOM 1214 O LEU B 395 0.328 -21.494 -4.813 1.00 0.00 O ATOM 1215 CB LEU B 395 -0.271 -18.272 -5.391 1.00 0.00 C ATOM 1216 CG LEU B 395 -1.390 -17.382 -5.933 1.00 0.00 C ATOM 1217 CD1 LEU B 395 -0.822 -16.079 -6.474 1.00 0.00 C ATOM 1218 CD2 LEU B 395 -2.176 -18.112 -7.013 1.00 0.00 C ATOM 0 H LEU B 395 -0.732 -17.803 -3.003 1.00 0.00 H new ATOM 0 HA LEU B 395 -1.588 -19.860 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU B 395 0.467 -17.636 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU B 395 0.228 -18.748 -6.235 1.00 0.00 H new ATOM 0 HG LEU B 395 -2.069 -17.146 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU B 395 -1.633 -15.459 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU B 395 -0.304 -15.548 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU B 395 -0.121 -16.295 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU B 395 -2.968 -17.464 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU B 395 -1.508 -18.379 -7.832 1.00 0.00 H new ATOM 0 HD23 LEU B 395 -2.615 -19.017 -6.594 1.00 0.00 H new ATOM 1230 N CYS B 396 1.454 -20.039 -3.517 1.00 0.00 N ATOM 1231 CA CYS B 396 2.582 -20.937 -3.299 1.00 0.00 C ATOM 1232 C CYS B 396 2.132 -22.216 -2.601 1.00 0.00 C ATOM 1233 O CYS B 396 2.529 -23.317 -2.984 1.00 0.00 O ATOM 1234 CB CYS B 396 3.662 -20.242 -2.469 1.00 0.00 C ATOM 1235 SG CYS B 396 4.735 -19.144 -3.424 1.00 0.00 S ATOM 0 H CYS B 396 1.539 -19.134 -3.054 1.00 0.00 H new ATOM 0 HA CYS B 396 2.996 -21.202 -4.272 1.00 0.00 H new ATOM 0 HB2 CYS B 396 3.182 -19.666 -1.678 1.00 0.00 H new ATOM 0 HB3 CYS B 396 4.276 -21.000 -1.983 1.00 0.00 H new ATOM 0 HG CYS B 396 4.185 -17.970 -3.513 1.00 0.00 H new ATOM 1241 N ARG B 397 1.303 -22.063 -1.574 1.00 0.00 N ATOM 1242 CA ARG B 397 0.801 -23.206 -0.820 1.00 0.00 C ATOM 1243 C ARG B 397 -0.119 -24.065 -1.683 1.00 0.00 C ATOM 1244 O ARG B 397 -0.310 -25.252 -1.415 1.00 0.00 O ATOM 1245 CB ARG B 397 0.052 -22.732 0.427 1.00 0.00 C ATOM 1246 CG ARG B 397 0.880 -21.831 1.329 1.00 0.00 C ATOM 1247 CD ARG B 397 1.601 -22.629 2.404 1.00 0.00 C ATOM 1248 NE ARG B 397 2.087 -21.776 3.485 1.00 0.00 N ATOM 1249 CZ ARG B 397 2.673 -22.243 4.582 1.00 0.00 C ATOM 1250 NH1 ARG B 397 2.845 -23.548 4.742 1.00 0.00 N ATOM 1251 NH2 ARG B 397 3.088 -21.403 5.522 1.00 0.00 N ATOM 0 H ARG B 397 0.965 -21.159 -1.245 1.00 0.00 H new ATOM 0 HA ARG B 397 1.655 -23.811 -0.515 1.00 0.00 H new ATOM 0 HB2 ARG B 397 -0.847 -22.197 0.119 1.00 0.00 H new ATOM 0 HB3 ARG B 397 -0.274 -23.602 0.997 1.00 0.00 H new ATOM 0 HG2 ARG B 397 1.609 -21.285 0.730 1.00 0.00 H new ATOM 0 HG3 ARG B 397 0.233 -21.090 1.797 1.00 0.00 H new ATOM 0 HD2 ARG B 397 0.926 -23.381 2.811 1.00 0.00 H new ATOM 0 HD3 ARG B 397 2.440 -23.163 1.958 1.00 0.00 H new ATOM 0 HE ARG B 397 1.970 -20.767 3.393 1.00 0.00 H new ATOM 0 HH11 ARG B 397 2.527 -24.196 4.022 1.00 0.00 H new ATOM 0 HH12 ARG B 397 3.295 -23.903 5.585 1.00 0.00 H new ATOM 0 HH21 ARG B 397 2.957 -20.399 5.402 1.00 0.00 H new ATOM 0 HH22 ARG B 397 3.538 -21.762 6.364 1.00 0.00 H new