USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 357 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 379 TYR OH : rot -101:sc= 0.0702 USER MOD Single : A 394 THR OG1 : rot 79:sc= 0.627 USER MOD Single : A 396 CYS SG : rot 85:sc= 0.0121 USER MOD Single : B 378 SER OG : rot 180:sc= 0 USER MOD Single : B 379 TYR OH : rot -100:sc= 0.0716 USER MOD Single : B 394 THR OG1 : rot 81:sc= 0.474 USER MOD Single : B 396 CYS SG : rot 85:sc=-0.00471 USER MOD ----------------------------------------------------------------- ATOM 277 N LEU A 377 -2.433 6.274 -8.806 1.00 0.00 N ATOM 278 CA LEU A 377 -3.568 5.523 -8.281 1.00 0.00 C ATOM 279 C LEU A 377 -3.837 4.282 -9.127 1.00 0.00 C ATOM 280 O LEU A 377 -4.221 3.235 -8.606 1.00 0.00 O ATOM 281 CB LEU A 377 -4.816 6.407 -8.241 1.00 0.00 C ATOM 282 CG LEU A 377 -4.936 7.344 -7.039 1.00 0.00 C ATOM 283 CD1 LEU A 377 -5.943 8.448 -7.321 1.00 0.00 C ATOM 284 CD2 LEU A 377 -5.331 6.565 -5.793 1.00 0.00 C ATOM 0 HA LEU A 377 -3.324 5.204 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -4.840 7.009 -9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.695 5.762 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 377 -3.964 7.804 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -6.015 9.105 -6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -5.618 9.024 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -6.919 8.007 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -5.412 7.248 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.292 6.077 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -4.573 5.811 -5.580 1.00 0.00 H new ATOM 296 N SER A 378 -3.630 4.407 -10.434 1.00 0.00 N ATOM 297 CA SER A 378 -3.852 3.296 -11.352 1.00 0.00 C ATOM 298 C SER A 378 -3.183 2.025 -10.839 1.00 0.00 C ATOM 299 O SER A 378 -3.669 0.917 -11.069 1.00 0.00 O ATOM 300 CB SER A 378 -3.316 3.642 -12.743 1.00 0.00 C ATOM 301 OG SER A 378 -1.922 3.893 -12.705 1.00 0.00 O ATOM 0 H SER A 378 -3.309 5.266 -10.881 1.00 0.00 H new ATOM 0 HA SER A 378 -4.926 3.120 -11.417 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.522 2.821 -13.430 1.00 0.00 H new ATOM 0 HB3 SER A 378 -3.836 4.519 -13.129 1.00 0.00 H new ATOM 0 HG SER A 378 -1.604 4.110 -13.606 1.00 0.00 H new ATOM 307 N TYR A 379 -2.064 2.193 -10.142 1.00 0.00 N ATOM 308 CA TYR A 379 -1.326 1.060 -9.597 1.00 0.00 C ATOM 309 C TYR A 379 -2.113 0.382 -8.480 1.00 0.00 C ATOM 310 O TYR A 379 -2.344 -0.825 -8.512 1.00 0.00 O ATOM 311 CB TYR A 379 0.036 1.517 -9.072 1.00 0.00 C ATOM 312 CG TYR A 379 1.048 0.400 -8.960 1.00 0.00 C ATOM 313 CD1 TYR A 379 1.438 -0.326 -10.078 1.00 0.00 C ATOM 314 CD2 TYR A 379 1.616 0.070 -7.735 1.00 0.00 C ATOM 315 CE1 TYR A 379 2.362 -1.348 -9.980 1.00 0.00 C ATOM 316 CE2 TYR A 379 2.542 -0.950 -7.628 1.00 0.00 C ATOM 317 CZ TYR A 379 2.911 -1.656 -8.753 1.00 0.00 C ATOM 318 OH TYR A 379 3.833 -2.673 -8.652 1.00 0.00 O ATOM 0 H TYR A 379 -1.649 3.103 -9.941 1.00 0.00 H new ATOM 0 HA TYR A 379 -1.175 0.338 -10.399 1.00 0.00 H new ATOM 0 HB2 TYR A 379 0.431 2.288 -9.733 1.00 0.00 H new ATOM 0 HB3 TYR A 379 -0.097 1.975 -8.092 1.00 0.00 H new ATOM 0 HD1 TYR A 379 1.011 -0.087 -11.041 1.00 0.00 H new ATOM 0 HD2 TYR A 379 1.329 0.620 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 379 2.653 -1.903 -10.860 1.00 0.00 H new ATOM 0 HE2 TYR A 379 2.974 -1.193 -6.668 1.00 0.00 H new ATOM 0 HH TYR A 379 3.396 -3.477 -8.302 1.00 0.00 H new ATOM 328 N GLY A 380 -2.524 1.171 -7.492 1.00 0.00 N ATOM 329 CA GLY A 380 -3.281 0.632 -6.378 1.00 0.00 C ATOM 330 C GLY A 380 -4.672 0.187 -6.784 1.00 0.00 C ATOM 331 O GLY A 380 -5.066 -0.952 -6.534 1.00 0.00 O ATOM 0 H GLY A 380 -2.346 2.174 -7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 380 -2.742 -0.214 -5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 380 -3.358 1.387 -5.596 1.00 0.00 H new ATOM 335 N VAL A 381 -5.421 1.089 -7.412 1.00 0.00 N ATOM 336 CA VAL A 381 -6.776 0.784 -7.853 1.00 0.00 C ATOM 337 C VAL A 381 -6.773 -0.286 -8.939 1.00 0.00 C ATOM 338 O VAL A 381 -7.459 -1.301 -8.828 1.00 0.00 O ATOM 339 CB VAL A 381 -7.489 2.040 -8.388 1.00 0.00 C ATOM 340 CG1 VAL A 381 -8.979 1.781 -8.551 1.00 0.00 C ATOM 341 CG2 VAL A 381 -7.244 3.224 -7.465 1.00 0.00 C ATOM 0 H VAL A 381 -5.111 2.037 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 381 -7.316 0.412 -6.982 1.00 0.00 H new ATOM 0 HB VAL A 381 -7.077 2.280 -9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 381 -9.465 2.680 -8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 381 -9.131 0.962 -9.254 1.00 0.00 H new ATOM 0 HG13 VAL A 381 -9.410 1.515 -7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 381 -7.755 4.103 -7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 381 -7.627 2.996 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 381 -6.174 3.423 -7.404 1.00 0.00 H new ATOM 351 N GLY A 382 -5.994 -0.052 -9.991 1.00 0.00 N ATOM 352 CA GLY A 382 -5.915 -1.004 -11.083 1.00 0.00 C ATOM 353 C GLY A 382 -5.607 -2.409 -10.605 1.00 0.00 C ATOM 354 O GLY A 382 -6.245 -3.372 -11.032 1.00 0.00 O ATOM 0 H GLY A 382 -5.416 0.781 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -6.859 -1.007 -11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -5.144 -0.685 -11.784 1.00 0.00 H new ATOM 358 N PHE A 383 -4.625 -2.529 -9.718 1.00 0.00 N ATOM 359 CA PHE A 383 -4.231 -3.827 -9.184 1.00 0.00 C ATOM 360 C PHE A 383 -5.343 -4.422 -8.325 1.00 0.00 C ATOM 361 O PHE A 383 -5.518 -5.640 -8.272 1.00 0.00 O ATOM 362 CB PHE A 383 -2.949 -3.695 -8.358 1.00 0.00 C ATOM 363 CG PHE A 383 -2.300 -5.013 -8.044 1.00 0.00 C ATOM 364 CD1 PHE A 383 -1.945 -5.885 -9.060 1.00 0.00 C ATOM 365 CD2 PHE A 383 -2.046 -5.379 -6.732 1.00 0.00 C ATOM 366 CE1 PHE A 383 -1.348 -7.098 -8.773 1.00 0.00 C ATOM 367 CE2 PHE A 383 -1.449 -6.591 -6.439 1.00 0.00 C ATOM 368 CZ PHE A 383 -1.099 -7.451 -7.461 1.00 0.00 C ATOM 0 H PHE A 383 -4.087 -1.743 -9.354 1.00 0.00 H new ATOM 0 HA PHE A 383 -4.047 -4.497 -10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 383 -2.240 -3.070 -8.900 1.00 0.00 H new ATOM 0 HB3 PHE A 383 -3.179 -3.181 -7.425 1.00 0.00 H new ATOM 0 HD1 PHE A 383 -2.137 -5.614 -10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 383 -2.318 -4.710 -5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 383 -1.076 -7.769 -9.574 1.00 0.00 H new ATOM 0 HE2 PHE A 383 -1.257 -6.865 -5.412 1.00 0.00 H new ATOM 0 HZ PHE A 383 -0.631 -8.398 -7.235 1.00 0.00 H new ATOM 378 N PHE A 384 -6.093 -3.554 -7.654 1.00 0.00 N ATOM 379 CA PHE A 384 -7.187 -3.993 -6.796 1.00 0.00 C ATOM 380 C PHE A 384 -8.245 -4.739 -7.603 1.00 0.00 C ATOM 381 O PHE A 384 -8.645 -5.849 -7.248 1.00 0.00 O ATOM 382 CB PHE A 384 -7.821 -2.793 -6.089 1.00 0.00 C ATOM 383 CG PHE A 384 -8.420 -3.132 -4.754 1.00 0.00 C ATOM 384 CD1 PHE A 384 -9.323 -4.175 -4.629 1.00 0.00 C ATOM 385 CD2 PHE A 384 -8.080 -2.407 -3.623 1.00 0.00 C ATOM 386 CE1 PHE A 384 -9.876 -4.489 -3.402 1.00 0.00 C ATOM 387 CE2 PHE A 384 -8.629 -2.716 -2.393 1.00 0.00 C ATOM 388 CZ PHE A 384 -9.528 -3.759 -2.282 1.00 0.00 C ATOM 0 H PHE A 384 -5.963 -2.543 -7.688 1.00 0.00 H new ATOM 0 HA PHE A 384 -6.779 -4.673 -6.048 1.00 0.00 H new ATOM 0 HB2 PHE A 384 -7.065 -2.020 -5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 384 -8.596 -2.372 -6.730 1.00 0.00 H new ATOM 0 HD1 PHE A 384 -9.598 -4.750 -5.501 1.00 0.00 H new ATOM 0 HD2 PHE A 384 -7.378 -1.591 -3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 384 -10.579 -5.304 -3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 384 -8.356 -2.143 -1.520 1.00 0.00 H new ATOM 0 HZ PHE A 384 -9.958 -4.003 -1.322 1.00 0.00 H new ATOM 398 N LEU A 385 -8.696 -4.122 -8.690 1.00 0.00 N ATOM 399 CA LEU A 385 -9.708 -4.727 -9.549 1.00 0.00 C ATOM 400 C LEU A 385 -9.184 -6.008 -10.189 1.00 0.00 C ATOM 401 O LEU A 385 -9.846 -7.046 -10.156 1.00 0.00 O ATOM 402 CB LEU A 385 -10.139 -3.740 -10.635 1.00 0.00 C ATOM 403 CG LEU A 385 -10.307 -2.286 -10.192 1.00 0.00 C ATOM 404 CD1 LEU A 385 -11.000 -1.474 -11.276 1.00 0.00 C ATOM 405 CD2 LEU A 385 -11.086 -2.212 -8.888 1.00 0.00 C ATOM 0 H LEU A 385 -8.377 -3.203 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 385 -10.570 -4.978 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -9.404 -3.771 -11.439 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -11.085 -4.083 -11.055 1.00 0.00 H new ATOM 0 HG LEU A 385 -9.317 -1.861 -10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -11.111 -0.442 -10.943 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -10.403 -1.499 -12.187 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -11.984 -1.898 -11.476 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -11.196 -1.170 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -12.072 -2.655 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -10.549 -2.758 -8.112 1.00 0.00 H new ATOM 417 N PHE A 386 -7.992 -5.929 -10.770 1.00 0.00 N ATOM 418 CA PHE A 386 -7.378 -7.082 -11.417 1.00 0.00 C ATOM 419 C PHE A 386 -7.142 -8.207 -10.413 1.00 0.00 C ATOM 420 O PHE A 386 -7.274 -9.386 -10.744 1.00 0.00 O ATOM 421 CB PHE A 386 -6.054 -6.682 -12.072 1.00 0.00 C ATOM 422 CG PHE A 386 -5.716 -7.498 -13.287 1.00 0.00 C ATOM 423 CD1 PHE A 386 -5.181 -8.769 -13.157 1.00 0.00 C ATOM 424 CD2 PHE A 386 -5.934 -6.993 -14.559 1.00 0.00 C ATOM 425 CE1 PHE A 386 -4.868 -9.521 -14.274 1.00 0.00 C ATOM 426 CE2 PHE A 386 -5.624 -7.741 -15.679 1.00 0.00 C ATOM 427 CZ PHE A 386 -5.091 -9.007 -15.536 1.00 0.00 C ATOM 0 H PHE A 386 -7.431 -5.078 -10.806 1.00 0.00 H new ATOM 0 HA PHE A 386 -8.061 -7.442 -12.186 1.00 0.00 H new ATOM 0 HB2 PHE A 386 -6.100 -5.630 -12.352 1.00 0.00 H new ATOM 0 HB3 PHE A 386 -5.251 -6.783 -11.342 1.00 0.00 H new ATOM 0 HD1 PHE A 386 -5.006 -9.177 -12.172 1.00 0.00 H new ATOM 0 HD2 PHE A 386 -6.351 -6.004 -14.676 1.00 0.00 H new ATOM 0 HE1 PHE A 386 -4.449 -10.510 -14.160 1.00 0.00 H new ATOM 0 HE2 PHE A 386 -5.798 -7.336 -16.665 1.00 0.00 H new ATOM 0 HZ PHE A 386 -4.849 -9.594 -16.410 1.00 0.00 H new ATOM 437 N ILE A 387 -6.792 -7.834 -9.187 1.00 0.00 N ATOM 438 CA ILE A 387 -6.538 -8.811 -8.135 1.00 0.00 C ATOM 439 C ILE A 387 -7.838 -9.435 -7.639 1.00 0.00 C ATOM 440 O ILE A 387 -7.878 -10.614 -7.284 1.00 0.00 O ATOM 441 CB ILE A 387 -5.800 -8.174 -6.942 1.00 0.00 C ATOM 442 CG1 ILE A 387 -4.306 -8.046 -7.248 1.00 0.00 C ATOM 443 CG2 ILE A 387 -6.020 -8.999 -5.683 1.00 0.00 C ATOM 444 CD1 ILE A 387 -3.604 -9.378 -7.399 1.00 0.00 C ATOM 0 H ILE A 387 -6.678 -6.863 -8.897 1.00 0.00 H new ATOM 0 HA ILE A 387 -5.908 -9.587 -8.570 1.00 0.00 H new ATOM 0 HB ILE A 387 -6.204 -7.176 -6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 387 -4.179 -7.471 -8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 387 -3.827 -7.480 -6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 387 -5.493 -8.537 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 387 -7.086 -9.044 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 387 -5.639 -10.008 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 387 -2.549 -9.211 -7.615 1.00 0.00 H new ATOM 0 HD12 ILE A 387 -3.700 -9.947 -6.474 1.00 0.00 H new ATOM 0 HD13 ILE A 387 -4.057 -9.938 -8.217 1.00 0.00 H new ATOM 456 N LEU A 388 -8.901 -8.638 -7.620 1.00 0.00 N ATOM 457 CA LEU A 388 -10.205 -9.113 -7.170 1.00 0.00 C ATOM 458 C LEU A 388 -10.722 -10.225 -8.076 1.00 0.00 C ATOM 459 O LEU A 388 -11.183 -11.264 -7.601 1.00 0.00 O ATOM 460 CB LEU A 388 -11.207 -7.958 -7.138 1.00 0.00 C ATOM 461 CG LEU A 388 -11.133 -7.038 -5.919 1.00 0.00 C ATOM 462 CD1 LEU A 388 -11.899 -5.750 -6.175 1.00 0.00 C ATOM 463 CD2 LEU A 388 -11.674 -7.745 -4.684 1.00 0.00 C ATOM 0 H LEU A 388 -8.886 -7.660 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 388 -10.090 -9.514 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 388 -11.063 -7.354 -8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 388 -12.213 -8.374 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 388 -10.088 -6.786 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 388 -11.835 -5.108 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 388 -11.468 -5.235 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 388 -12.944 -5.983 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 388 -11.614 -7.076 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 388 -12.713 -8.027 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 388 -11.083 -8.640 -4.489 1.00 0.00 H new ATOM 475 N VAL A 389 -10.641 -10.002 -9.384 1.00 0.00 N ATOM 476 CA VAL A 389 -11.098 -10.987 -10.358 1.00 0.00 C ATOM 477 C VAL A 389 -10.110 -12.142 -10.476 1.00 0.00 C ATOM 478 O VAL A 389 -10.505 -13.297 -10.631 1.00 0.00 O ATOM 479 CB VAL A 389 -11.297 -10.352 -11.747 1.00 0.00 C ATOM 480 CG1 VAL A 389 -11.862 -11.371 -12.724 1.00 0.00 C ATOM 481 CG2 VAL A 389 -12.204 -9.134 -11.650 1.00 0.00 C ATOM 0 H VAL A 389 -10.263 -9.148 -9.794 1.00 0.00 H new ATOM 0 HA VAL A 389 -12.055 -11.366 -10.000 1.00 0.00 H new ATOM 0 HB VAL A 389 -10.327 -10.026 -12.121 1.00 0.00 H new ATOM 0 HG11 VAL A 389 -11.996 -10.904 -13.700 1.00 0.00 H new ATOM 0 HG12 VAL A 389 -11.172 -12.210 -12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 389 -12.824 -11.731 -12.359 1.00 0.00 H new ATOM 0 HG21 VAL A 389 -12.334 -8.697 -12.640 1.00 0.00 H new ATOM 0 HG22 VAL A 389 -13.175 -9.434 -11.255 1.00 0.00 H new ATOM 0 HG23 VAL A 389 -11.754 -8.397 -10.985 1.00 0.00 H new ATOM 491 N VAL A 390 -8.822 -11.822 -10.401 1.00 0.00 N ATOM 492 CA VAL A 390 -7.776 -12.833 -10.498 1.00 0.00 C ATOM 493 C VAL A 390 -7.760 -13.727 -9.264 1.00 0.00 C ATOM 494 O VAL A 390 -7.834 -14.951 -9.370 1.00 0.00 O ATOM 495 CB VAL A 390 -6.388 -12.189 -10.671 1.00 0.00 C ATOM 496 CG1 VAL A 390 -5.292 -13.174 -10.292 1.00 0.00 C ATOM 497 CG2 VAL A 390 -6.203 -11.696 -12.098 1.00 0.00 C ATOM 0 H VAL A 390 -8.478 -10.870 -10.273 1.00 0.00 H new ATOM 0 HA VAL A 390 -8.000 -13.437 -11.377 1.00 0.00 H new ATOM 0 HB VAL A 390 -6.319 -11.330 -10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -4.318 -12.702 -10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.416 -13.473 -9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.356 -14.054 -10.932 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -5.217 -11.244 -12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -6.292 -12.536 -12.787 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -6.968 -10.955 -12.329 1.00 0.00 H new ATOM 507 N ALA A 391 -7.663 -13.107 -8.092 1.00 0.00 N ATOM 508 CA ALA A 391 -7.640 -13.846 -6.836 1.00 0.00 C ATOM 509 C ALA A 391 -8.920 -14.655 -6.651 1.00 0.00 C ATOM 510 O ALA A 391 -8.879 -15.813 -6.237 1.00 0.00 O ATOM 511 CB ALA A 391 -7.442 -12.893 -5.666 1.00 0.00 C ATOM 0 H ALA A 391 -7.599 -12.094 -7.987 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.802 -14.543 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -7.427 -13.459 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -6.497 -12.363 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.260 -12.174 -5.640 1.00 0.00 H new ATOM 517 N ALA A 392 -10.055 -14.037 -6.962 1.00 0.00 N ATOM 518 CA ALA A 392 -11.346 -14.700 -6.831 1.00 0.00 C ATOM 519 C ALA A 392 -11.388 -15.987 -7.649 1.00 0.00 C ATOM 520 O ALA A 392 -11.751 -17.047 -7.139 1.00 0.00 O ATOM 521 CB ALA A 392 -12.466 -13.764 -7.259 1.00 0.00 C ATOM 0 H ALA A 392 -10.106 -13.078 -7.306 1.00 0.00 H new ATOM 0 HA ALA A 392 -11.487 -14.962 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 392 -13.425 -14.273 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 392 -12.458 -12.875 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 392 -12.320 -13.473 -8.299 1.00 0.00 H new ATOM 527 N VAL A 393 -11.014 -15.886 -8.920 1.00 0.00 N ATOM 528 CA VAL A 393 -11.008 -17.042 -9.809 1.00 0.00 C ATOM 529 C VAL A 393 -9.996 -18.085 -9.348 1.00 0.00 C ATOM 530 O VAL A 393 -10.339 -19.250 -9.138 1.00 0.00 O ATOM 531 CB VAL A 393 -10.683 -16.634 -11.258 1.00 0.00 C ATOM 532 CG1 VAL A 393 -10.597 -17.862 -12.152 1.00 0.00 C ATOM 533 CG2 VAL A 393 -11.724 -15.656 -11.782 1.00 0.00 C ATOM 0 H VAL A 393 -10.711 -15.016 -9.358 1.00 0.00 H new ATOM 0 HA VAL A 393 -12.009 -17.472 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 393 -9.713 -16.137 -11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 393 -10.367 -17.554 -13.172 1.00 0.00 H new ATOM 0 HG12 VAL A 393 -9.812 -18.524 -11.787 1.00 0.00 H new ATOM 0 HG13 VAL A 393 -11.551 -18.389 -12.139 1.00 0.00 H new ATOM 0 HG21 VAL A 393 -11.479 -15.378 -12.807 1.00 0.00 H new ATOM 0 HG22 VAL A 393 -12.708 -16.125 -11.758 1.00 0.00 H new ATOM 0 HG23 VAL A 393 -11.732 -14.763 -11.156 1.00 0.00 H new ATOM 543 N THR A 394 -8.747 -17.661 -9.190 1.00 0.00 N ATOM 544 CA THR A 394 -7.684 -18.557 -8.754 1.00 0.00 C ATOM 545 C THR A 394 -8.042 -19.233 -7.435 1.00 0.00 C ATOM 546 O THR A 394 -7.787 -20.424 -7.247 1.00 0.00 O ATOM 547 CB THR A 394 -6.349 -17.807 -8.587 1.00 0.00 C ATOM 548 OG1 THR A 394 -6.003 -17.145 -9.809 1.00 0.00 O ATOM 549 CG2 THR A 394 -5.235 -18.765 -8.192 1.00 0.00 C ATOM 0 H THR A 394 -8.446 -16.701 -9.358 1.00 0.00 H new ATOM 0 HA THR A 394 -7.572 -19.315 -9.530 1.00 0.00 H new ATOM 0 HB THR A 394 -6.470 -17.068 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 394 -6.527 -16.321 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 394 -4.302 -18.212 -8.080 1.00 0.00 H new ATOM 0 HG22 THR A 394 -5.487 -19.246 -7.247 1.00 0.00 H new ATOM 0 HG23 THR A 394 -5.116 -19.524 -8.965 1.00 0.00 H new ATOM 557 N LEU A 395 -8.634 -18.468 -6.525 1.00 0.00 N ATOM 558 CA LEU A 395 -9.028 -18.994 -5.222 1.00 0.00 C ATOM 559 C LEU A 395 -10.220 -19.936 -5.354 1.00 0.00 C ATOM 560 O LEU A 395 -10.275 -20.978 -4.699 1.00 0.00 O ATOM 561 CB LEU A 395 -9.372 -17.847 -4.270 1.00 0.00 C ATOM 562 CG LEU A 395 -8.188 -17.036 -3.741 1.00 0.00 C ATOM 563 CD1 LEU A 395 -8.653 -15.677 -3.242 1.00 0.00 C ATOM 564 CD2 LEU A 395 -7.473 -17.796 -2.634 1.00 0.00 C ATOM 0 H LEU A 395 -8.852 -17.481 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 395 -8.188 -19.556 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 395 -10.052 -17.167 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 395 -9.914 -18.258 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 395 -7.485 -16.879 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 395 -7.797 -15.114 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 395 -9.119 -15.129 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 395 -9.376 -15.813 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 395 -6.633 -17.204 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 395 -8.167 -17.984 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 395 -7.105 -18.745 -3.023 1.00 0.00 H new ATOM 576 N CYS A 396 -11.170 -19.564 -6.204 1.00 0.00 N ATOM 577 CA CYS A 396 -12.362 -20.377 -6.422 1.00 0.00 C ATOM 578 C CYS A 396 -11.997 -21.717 -7.051 1.00 0.00 C ATOM 579 O CYS A 396 -12.356 -22.775 -6.533 1.00 0.00 O ATOM 580 CB CYS A 396 -13.355 -19.633 -7.316 1.00 0.00 C ATOM 581 SG CYS A 396 -14.380 -18.429 -6.440 1.00 0.00 S ATOM 0 H CYS A 396 -11.139 -18.705 -6.754 1.00 0.00 H new ATOM 0 HA CYS A 396 -12.827 -20.565 -5.454 1.00 0.00 H new ATOM 0 HB2 CYS A 396 -12.804 -19.120 -8.104 1.00 0.00 H new ATOM 0 HB3 CYS A 396 -14.004 -20.360 -7.803 1.00 0.00 H new ATOM 0 HG CYS A 396 -13.736 -17.305 -6.336 1.00 0.00 H new ATOM 587 N ARG A 397 -11.285 -21.665 -8.172 1.00 0.00 N ATOM 588 CA ARG A 397 -10.874 -22.876 -8.873 1.00 0.00 C ATOM 589 C ARG A 397 -9.869 -23.670 -8.044 1.00 0.00 C ATOM 590 O ARG A 397 -9.588 -24.833 -8.337 1.00 0.00 O ATOM 591 CB ARG A 397 -10.265 -22.522 -10.231 1.00 0.00 C ATOM 592 CG ARG A 397 -11.300 -22.289 -11.320 1.00 0.00 C ATOM 593 CD ARG A 397 -12.225 -21.133 -10.972 1.00 0.00 C ATOM 594 NE ARG A 397 -13.109 -20.787 -12.081 1.00 0.00 N ATOM 595 CZ ARG A 397 -14.139 -21.535 -12.461 1.00 0.00 C ATOM 596 NH1 ARG A 397 -14.412 -22.665 -11.824 1.00 0.00 N ATOM 597 NH2 ARG A 397 -14.898 -21.153 -13.480 1.00 0.00 N ATOM 0 H ARG A 397 -10.981 -20.798 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 397 -11.758 -23.494 -9.029 1.00 0.00 H new ATOM 0 HB2 ARG A 397 -9.655 -21.625 -10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 397 -9.598 -23.326 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 397 -10.796 -22.082 -12.264 1.00 0.00 H new ATOM 0 HG3 ARG A 397 -11.888 -23.196 -11.465 1.00 0.00 H new ATOM 0 HD2 ARG A 397 -12.823 -21.397 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 397 -11.630 -20.262 -10.698 1.00 0.00 H new ATOM 0 HE ARG A 397 -12.926 -19.924 -12.592 1.00 0.00 H new ATOM 0 HH11 ARG A 397 -13.831 -22.962 -11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 397 -15.203 -23.238 -12.118 1.00 0.00 H new ATOM 0 HH21 ARG A 397 -14.691 -20.284 -13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 397 -15.689 -21.728 -13.771 1.00 0.00 H new ATOM 912 N ILE B 376 -7.086 7.922 0.311 1.00 0.00 N ATOM 913 CA ILE B 376 -7.706 6.963 -0.595 1.00 0.00 C ATOM 914 C ILE B 376 -6.674 5.991 -1.157 1.00 0.00 C ATOM 915 O ILE B 376 -7.004 4.863 -1.526 1.00 0.00 O ATOM 916 CB ILE B 376 -8.417 7.671 -1.764 1.00 0.00 C ATOM 917 CG1 ILE B 376 -9.136 8.927 -1.266 1.00 0.00 C ATOM 918 CG2 ILE B 376 -9.398 6.724 -2.438 1.00 0.00 C ATOM 919 CD1 ILE B 376 -9.969 9.607 -2.330 1.00 0.00 C ATOM 0 HA ILE B 376 -8.443 6.410 -0.013 1.00 0.00 H new ATOM 0 HB ILE B 376 -7.669 7.971 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE B 376 -9.779 8.659 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE B 376 -8.397 9.633 -0.888 1.00 0.00 H new ATOM 0 HG21 ILE B 376 -9.893 7.238 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE B 376 -8.861 5.857 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE B 376 -10.144 6.397 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE B 376 -10.450 10.489 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE B 376 -9.327 9.906 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE B 376 -10.731 8.917 -2.692 1.00 0.00 H new ATOM 931 N LEU B 377 -5.423 6.434 -1.217 1.00 0.00 N ATOM 932 CA LEU B 377 -4.341 5.602 -1.732 1.00 0.00 C ATOM 933 C LEU B 377 -4.153 4.357 -0.870 1.00 0.00 C ATOM 934 O LEU B 377 -3.841 3.280 -1.378 1.00 0.00 O ATOM 935 CB LEU B 377 -3.037 6.401 -1.784 1.00 0.00 C ATOM 936 CG LEU B 377 -2.858 7.315 -2.996 1.00 0.00 C ATOM 937 CD1 LEU B 377 -1.753 8.329 -2.742 1.00 0.00 C ATOM 938 CD2 LEU B 377 -2.556 6.495 -4.242 1.00 0.00 C ATOM 0 H LEU B 377 -5.133 7.364 -0.916 1.00 0.00 H new ATOM 0 HA LEU B 377 -4.608 5.286 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU B 377 -2.971 7.010 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU B 377 -2.203 5.700 -1.757 1.00 0.00 H new ATOM 0 HG LEU B 377 -3.789 7.857 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU B 377 -1.640 8.971 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU B 377 -2.010 8.938 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU B 377 -0.816 7.806 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU B 377 -2.432 7.162 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU B 377 -1.639 5.926 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU B 377 -3.381 5.809 -4.435 1.00 0.00 H new ATOM 950 N SER B 378 -4.349 4.513 0.435 1.00 0.00 N ATOM 951 CA SER B 378 -4.200 3.401 1.368 1.00 0.00 C ATOM 952 C SER B 378 -4.956 2.172 0.873 1.00 0.00 C ATOM 953 O SER B 378 -4.547 1.037 1.120 1.00 0.00 O ATOM 954 CB SER B 378 -4.706 3.801 2.755 1.00 0.00 C ATOM 955 OG SER B 378 -6.075 4.163 2.714 1.00 0.00 O ATOM 0 H SER B 378 -4.611 5.397 0.871 1.00 0.00 H new ATOM 0 HA SER B 378 -3.141 3.152 1.433 1.00 0.00 H new ATOM 0 HB2 SER B 378 -4.566 2.972 3.449 1.00 0.00 H new ATOM 0 HB3 SER B 378 -4.117 4.636 3.133 1.00 0.00 H new ATOM 0 HG SER B 378 -6.374 4.413 3.613 1.00 0.00 H new ATOM 961 N TYR B 379 -6.060 2.407 0.174 1.00 0.00 N ATOM 962 CA TYR B 379 -6.876 1.319 -0.354 1.00 0.00 C ATOM 963 C TYR B 379 -6.138 0.573 -1.461 1.00 0.00 C ATOM 964 O TYR B 379 -5.992 -0.648 -1.412 1.00 0.00 O ATOM 965 CB TYR B 379 -8.203 1.862 -0.887 1.00 0.00 C ATOM 966 CG TYR B 379 -9.290 0.815 -0.985 1.00 0.00 C ATOM 967 CD1 TYR B 379 -9.727 0.131 0.143 1.00 0.00 C ATOM 968 CD2 TYR B 379 -9.879 0.509 -2.205 1.00 0.00 C ATOM 969 CE1 TYR B 379 -10.719 -0.827 0.058 1.00 0.00 C ATOM 970 CE2 TYR B 379 -10.873 -0.446 -2.300 1.00 0.00 C ATOM 971 CZ TYR B 379 -11.289 -1.112 -1.166 1.00 0.00 C ATOM 972 OH TYR B 379 -12.278 -2.064 -1.254 1.00 0.00 O ATOM 0 H TYR B 379 -6.411 3.340 -0.041 1.00 0.00 H new ATOM 0 HA TYR B 379 -7.076 0.621 0.459 1.00 0.00 H new ATOM 0 HB2 TYR B 379 -8.544 2.668 -0.237 1.00 0.00 H new ATOM 0 HB3 TYR B 379 -8.038 2.296 -1.873 1.00 0.00 H new ATOM 0 HD1 TYR B 379 -9.284 0.352 1.103 1.00 0.00 H new ATOM 0 HD2 TYR B 379 -9.554 1.027 -3.095 1.00 0.00 H new ATOM 0 HE1 TYR B 379 -11.046 -1.350 0.944 1.00 0.00 H new ATOM 0 HE2 TYR B 379 -11.322 -0.670 -3.257 1.00 0.00 H new ATOM 0 HH TYR B 379 -11.894 -2.906 -1.576 1.00 0.00 H new ATOM 982 N GLY B 380 -5.674 1.317 -2.461 1.00 0.00 N ATOM 983 CA GLY B 380 -4.956 0.710 -3.566 1.00 0.00 C ATOM 984 C GLY B 380 -3.599 0.177 -3.153 1.00 0.00 C ATOM 985 O GLY B 380 -3.285 -0.990 -3.387 1.00 0.00 O ATOM 0 H GLY B 380 -5.783 2.329 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY B 380 -5.552 -0.104 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY B 380 -4.828 1.446 -4.360 1.00 0.00 H new ATOM 989 N VAL B 381 -2.790 1.035 -2.539 1.00 0.00 N ATOM 990 CA VAL B 381 -1.458 0.644 -2.093 1.00 0.00 C ATOM 991 C VAL B 381 -1.534 -0.407 -0.991 1.00 0.00 C ATOM 992 O VAL B 381 -0.918 -1.468 -1.086 1.00 0.00 O ATOM 993 CB VAL B 381 -0.660 1.856 -1.578 1.00 0.00 C ATOM 994 CG1 VAL B 381 0.808 1.498 -1.411 1.00 0.00 C ATOM 995 CG2 VAL B 381 -0.825 3.041 -2.518 1.00 0.00 C ATOM 0 H VAL B 381 -3.034 2.005 -2.339 1.00 0.00 H new ATOM 0 HA VAL B 381 -0.946 0.223 -2.958 1.00 0.00 H new ATOM 0 HB VAL B 381 -1.053 2.139 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL B 381 1.355 2.367 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL B 381 0.904 0.682 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL B 381 1.218 1.188 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL B 381 -0.254 3.889 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL B 381 -0.460 2.773 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL B 381 -1.879 3.312 -2.580 1.00 0.00 H new ATOM 1005 N GLY B 382 -2.294 -0.103 0.057 1.00 0.00 N ATOM 1006 CA GLY B 382 -2.437 -1.032 1.163 1.00 0.00 C ATOM 1007 C GLY B 382 -2.843 -2.419 0.707 1.00 0.00 C ATOM 1008 O GLY B 382 -2.274 -3.417 1.150 1.00 0.00 O ATOM 0 H GLY B 382 -2.813 0.769 0.160 1.00 0.00 H new ATOM 0 HA2 GLY B 382 -1.494 -1.093 1.706 1.00 0.00 H new ATOM 0 HA3 GLY B 382 -3.182 -0.650 1.860 1.00 0.00 H new ATOM 1012 N PHE B 383 -3.830 -2.483 -0.179 1.00 0.00 N ATOM 1013 CA PHE B 383 -4.314 -3.759 -0.694 1.00 0.00 C ATOM 1014 C PHE B 383 -3.247 -4.443 -1.543 1.00 0.00 C ATOM 1015 O PHE B 383 -3.157 -5.670 -1.578 1.00 0.00 O ATOM 1016 CB PHE B 383 -5.584 -3.551 -1.521 1.00 0.00 C ATOM 1017 CG PHE B 383 -6.323 -4.825 -1.817 1.00 0.00 C ATOM 1018 CD1 PHE B 383 -6.737 -5.656 -0.788 1.00 0.00 C ATOM 1019 CD2 PHE B 383 -6.602 -5.193 -3.123 1.00 0.00 C ATOM 1020 CE1 PHE B 383 -7.417 -6.829 -1.056 1.00 0.00 C ATOM 1021 CE2 PHE B 383 -7.282 -6.364 -3.398 1.00 0.00 C ATOM 1022 CZ PHE B 383 -7.689 -7.184 -2.363 1.00 0.00 C ATOM 0 H PHE B 383 -4.311 -1.666 -0.556 1.00 0.00 H new ATOM 0 HA PHE B 383 -4.544 -4.401 0.156 1.00 0.00 H new ATOM 0 HB2 PHE B 383 -6.248 -2.871 -0.987 1.00 0.00 H new ATOM 0 HB3 PHE B 383 -5.320 -3.067 -2.461 1.00 0.00 H new ATOM 0 HD1 PHE B 383 -6.526 -5.384 0.236 1.00 0.00 H new ATOM 0 HD2 PHE B 383 -6.284 -4.557 -3.936 1.00 0.00 H new ATOM 0 HE1 PHE B 383 -7.735 -7.467 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE B 383 -7.495 -6.638 -4.421 1.00 0.00 H new ATOM 0 HZ PHE B 383 -8.219 -8.101 -2.575 1.00 0.00 H new ATOM 1032 N PHE B 384 -2.440 -3.639 -2.228 1.00 0.00 N ATOM 1033 CA PHE B 384 -1.379 -4.166 -3.079 1.00 0.00 C ATOM 1034 C PHE B 384 -0.374 -4.971 -2.261 1.00 0.00 C ATOM 1035 O PHE B 384 -0.053 -6.111 -2.598 1.00 0.00 O ATOM 1036 CB PHE B 384 -0.664 -3.024 -3.805 1.00 0.00 C ATOM 1037 CG PHE B 384 -0.089 -3.424 -5.133 1.00 0.00 C ATOM 1038 CD1 PHE B 384 0.742 -4.528 -5.239 1.00 0.00 C ATOM 1039 CD2 PHE B 384 -0.380 -2.698 -6.276 1.00 0.00 C ATOM 1040 CE1 PHE B 384 1.272 -4.899 -6.460 1.00 0.00 C ATOM 1041 CE2 PHE B 384 0.148 -3.063 -7.500 1.00 0.00 C ATOM 1042 CZ PHE B 384 0.974 -4.166 -7.592 1.00 0.00 C ATOM 0 H PHE B 384 -2.500 -2.621 -2.210 1.00 0.00 H new ATOM 0 HA PHE B 384 -1.834 -4.828 -3.816 1.00 0.00 H new ATOM 0 HB2 PHE B 384 -1.366 -2.204 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE B 384 0.137 -2.646 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE B 384 0.978 -5.105 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE B 384 -1.027 -1.836 -6.210 1.00 0.00 H new ATOM 0 HE1 PHE B 384 1.919 -5.761 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE B 384 -0.085 -2.487 -8.383 1.00 0.00 H new ATOM 0 HZ PHE B 384 1.386 -4.455 -8.548 1.00 0.00 H new ATOM 1052 N LEU B 385 0.119 -4.370 -1.184 1.00 0.00 N ATOM 1053 CA LEU B 385 1.089 -5.030 -0.316 1.00 0.00 C ATOM 1054 C LEU B 385 0.479 -6.263 0.343 1.00 0.00 C ATOM 1055 O LEU B 385 1.066 -7.345 0.324 1.00 0.00 O ATOM 1056 CB LEU B 385 1.588 -4.059 0.755 1.00 0.00 C ATOM 1057 CG LEU B 385 1.854 -2.627 0.291 1.00 0.00 C ATOM 1058 CD1 LEU B 385 2.604 -1.849 1.362 1.00 0.00 C ATOM 1059 CD2 LEU B 385 2.634 -2.626 -1.015 1.00 0.00 C ATOM 0 H LEU B 385 -0.137 -3.427 -0.891 1.00 0.00 H new ATOM 0 HA LEU B 385 1.932 -5.348 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU B 385 0.853 -4.028 1.560 1.00 0.00 H new ATOM 0 HB3 LEU B 385 2.509 -4.459 1.179 1.00 0.00 H new ATOM 0 HG LEU B 385 0.895 -2.137 0.119 1.00 0.00 H new ATOM 0 HD11 LEU B 385 2.784 -0.832 1.014 1.00 0.00 H new ATOM 0 HD12 LEU B 385 2.009 -1.820 2.275 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.557 -2.337 1.566 1.00 0.00 H new ATOM 0 HD21 LEU B 385 2.814 -1.598 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU B 385 3.588 -3.134 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU B 385 2.060 -3.145 -1.782 1.00 0.00 H new ATOM 1071 N PHE B 386 -0.704 -6.092 0.925 1.00 0.00 N ATOM 1072 CA PHE B 386 -1.395 -7.192 1.589 1.00 0.00 C ATOM 1073 C PHE B 386 -1.707 -8.313 0.603 1.00 0.00 C ATOM 1074 O PHE B 386 -1.653 -9.493 0.950 1.00 0.00 O ATOM 1075 CB PHE B 386 -2.687 -6.692 2.238 1.00 0.00 C ATOM 1076 CG PHE B 386 -3.080 -7.463 3.465 1.00 0.00 C ATOM 1077 CD1 PHE B 386 -3.678 -8.708 3.355 1.00 0.00 C ATOM 1078 CD2 PHE B 386 -2.850 -6.943 4.729 1.00 0.00 C ATOM 1079 CE1 PHE B 386 -4.040 -9.421 4.483 1.00 0.00 C ATOM 1080 CE2 PHE B 386 -3.209 -7.652 5.860 1.00 0.00 C ATOM 1081 CZ PHE B 386 -3.806 -8.892 5.737 1.00 0.00 C ATOM 0 H PHE B 386 -1.204 -5.203 0.950 1.00 0.00 H new ATOM 0 HA PHE B 386 -0.737 -7.587 2.363 1.00 0.00 H new ATOM 0 HB2 PHE B 386 -2.568 -5.641 2.502 1.00 0.00 H new ATOM 0 HB3 PHE B 386 -3.495 -6.748 1.509 1.00 0.00 H new ATOM 0 HD1 PHE B 386 -3.864 -9.126 2.377 1.00 0.00 H new ATOM 0 HD2 PHE B 386 -2.385 -5.973 4.831 1.00 0.00 H new ATOM 0 HE1 PHE B 386 -4.505 -10.391 4.383 1.00 0.00 H new ATOM 0 HE2 PHE B 386 -3.023 -7.237 6.840 1.00 0.00 H new ATOM 0 HZ PHE B 386 -4.089 -9.446 6.620 1.00 0.00 H new ATOM 1091 N ILE B 387 -2.036 -7.935 -0.628 1.00 0.00 N ATOM 1092 CA ILE B 387 -2.357 -8.908 -1.665 1.00 0.00 C ATOM 1093 C ILE B 387 -1.103 -9.627 -2.152 1.00 0.00 C ATOM 1094 O ILE B 387 -1.145 -10.810 -2.492 1.00 0.00 O ATOM 1095 CB ILE B 387 -3.052 -8.241 -2.867 1.00 0.00 C ATOM 1096 CG1 ILE B 387 -4.532 -8.005 -2.561 1.00 0.00 C ATOM 1097 CG2 ILE B 387 -2.893 -9.099 -4.113 1.00 0.00 C ATOM 1098 CD1 ILE B 387 -5.325 -9.281 -2.390 1.00 0.00 C ATOM 0 H ILE B 387 -2.087 -6.962 -0.931 1.00 0.00 H new ATOM 0 HA ILE B 387 -3.038 -9.632 -1.218 1.00 0.00 H new ATOM 0 HB ILE B 387 -2.580 -7.276 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE B 387 -4.616 -7.410 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE B 387 -4.972 -7.419 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE B 387 -3.389 -8.615 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE B 387 -1.833 -9.221 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE B 387 -3.342 -10.077 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE B 387 -6.365 -9.037 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE B 387 -5.272 -9.868 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE B 387 -4.910 -9.859 -1.564 1.00 0.00 H new ATOM 1110 N LEU B 388 0.012 -8.905 -2.181 1.00 0.00 N ATOM 1111 CA LEU B 388 1.280 -9.474 -2.624 1.00 0.00 C ATOM 1112 C LEU B 388 1.721 -10.606 -1.701 1.00 0.00 C ATOM 1113 O LEU B 388 2.109 -11.680 -2.161 1.00 0.00 O ATOM 1114 CB LEU B 388 2.359 -8.391 -2.672 1.00 0.00 C ATOM 1115 CG LEU B 388 2.348 -7.488 -3.906 1.00 0.00 C ATOM 1116 CD1 LEU B 388 3.204 -6.253 -3.670 1.00 0.00 C ATOM 1117 CD2 LEU B 388 2.835 -8.250 -5.129 1.00 0.00 C ATOM 0 H LEU B 388 0.064 -7.925 -1.903 1.00 0.00 H new ATOM 0 HA LEU B 388 1.137 -9.881 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU B 388 2.256 -7.764 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU B 388 3.334 -8.874 -2.609 1.00 0.00 H new ATOM 0 HG LEU B 388 1.323 -7.166 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU B 388 3.185 -5.622 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU B 388 2.811 -5.695 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU B 388 4.230 -6.556 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU B 388 2.820 -7.592 -5.998 1.00 0.00 H new ATOM 0 HD22 LEU B 388 3.852 -8.602 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU B 388 2.182 -9.104 -5.310 1.00 0.00 H new ATOM 1129 N VAL B 389 1.657 -10.359 -0.397 1.00 0.00 N ATOM 1130 CA VAL B 389 2.046 -11.358 0.591 1.00 0.00 C ATOM 1131 C VAL B 389 0.980 -12.440 0.728 1.00 0.00 C ATOM 1132 O VAL B 389 1.294 -13.616 0.907 1.00 0.00 O ATOM 1133 CB VAL B 389 2.292 -10.718 1.970 1.00 0.00 C ATOM 1134 CG1 VAL B 389 2.795 -11.758 2.960 1.00 0.00 C ATOM 1135 CG2 VAL B 389 3.276 -9.563 1.853 1.00 0.00 C ATOM 0 H VAL B 389 1.339 -9.475 0.000 1.00 0.00 H new ATOM 0 HA VAL B 389 2.973 -11.808 0.237 1.00 0.00 H new ATOM 0 HB VAL B 389 1.346 -10.324 2.342 1.00 0.00 H new ATOM 0 HG11 VAL B 389 2.963 -11.287 3.929 1.00 0.00 H new ATOM 0 HG12 VAL B 389 2.053 -12.549 3.065 1.00 0.00 H new ATOM 0 HG13 VAL B 389 3.730 -12.184 2.597 1.00 0.00 H new ATOM 0 HG21 VAL B 389 3.438 -9.122 2.837 1.00 0.00 H new ATOM 0 HG22 VAL B 389 4.224 -9.931 1.459 1.00 0.00 H new ATOM 0 HG23 VAL B 389 2.872 -8.808 1.179 1.00 0.00 H new ATOM 1145 N VAL B 390 -0.282 -12.033 0.642 1.00 0.00 N ATOM 1146 CA VAL B 390 -1.396 -12.967 0.755 1.00 0.00 C ATOM 1147 C VAL B 390 -1.476 -13.877 -0.466 1.00 0.00 C ATOM 1148 O VAL B 390 -1.489 -15.101 -0.340 1.00 0.00 O ATOM 1149 CB VAL B 390 -2.736 -12.226 0.917 1.00 0.00 C ATOM 1150 CG1 VAL B 390 -3.898 -13.137 0.552 1.00 0.00 C ATOM 1151 CG2 VAL B 390 -2.886 -11.701 2.337 1.00 0.00 C ATOM 0 H VAL B 390 -0.559 -11.062 0.494 1.00 0.00 H new ATOM 0 HA VAL B 390 -1.213 -13.571 1.644 1.00 0.00 H new ATOM 0 HB VAL B 390 -2.745 -11.375 0.236 1.00 0.00 H new ATOM 0 HG11 VAL B 390 -4.836 -12.596 0.673 1.00 0.00 H new ATOM 0 HG12 VAL B 390 -3.796 -13.460 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL B 390 -3.896 -14.009 1.206 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -3.839 -11.180 2.434 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -2.856 -12.535 3.038 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.071 -11.011 2.558 1.00 0.00 H new ATOM 1161 N ALA B 391 -1.528 -13.270 -1.647 1.00 0.00 N ATOM 1162 CA ALA B 391 -1.604 -14.026 -2.891 1.00 0.00 C ATOM 1163 C ALA B 391 -0.382 -14.922 -3.064 1.00 0.00 C ATOM 1164 O ALA B 391 -0.502 -16.080 -3.462 1.00 0.00 O ATOM 1165 CB ALA B 391 -1.738 -13.080 -4.075 1.00 0.00 C ATOM 0 H ALA B 391 -1.519 -12.257 -1.768 1.00 0.00 H new ATOM 0 HA ALA B 391 -2.487 -14.664 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA B 391 -1.794 -13.658 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA B 391 -2.644 -12.485 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA B 391 -0.872 -12.419 -4.112 1.00 0.00 H new ATOM 1171 N ALA B 392 0.792 -14.379 -2.763 1.00 0.00 N ATOM 1172 CA ALA B 392 2.035 -15.131 -2.884 1.00 0.00 C ATOM 1173 C ALA B 392 1.992 -16.402 -2.043 1.00 0.00 C ATOM 1174 O ALA B 392 2.281 -17.493 -2.534 1.00 0.00 O ATOM 1175 CB ALA B 392 3.218 -14.265 -2.475 1.00 0.00 C ATOM 0 H ALA B 392 0.909 -13.421 -2.433 1.00 0.00 H new ATOM 0 HA ALA B 392 2.155 -15.421 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA B 392 4.140 -14.839 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA B 392 3.268 -13.389 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA B 392 3.095 -13.946 -1.440 1.00 0.00 H new ATOM 1181 N VAL B 393 1.630 -16.253 -0.772 1.00 0.00 N ATOM 1182 CA VAL B 393 1.549 -17.390 0.137 1.00 0.00 C ATOM 1183 C VAL B 393 0.471 -18.373 -0.306 1.00 0.00 C ATOM 1184 O VAL B 393 0.735 -19.562 -0.487 1.00 0.00 O ATOM 1185 CB VAL B 393 1.253 -16.935 1.579 1.00 0.00 C ATOM 1186 CG1 VAL B 393 1.075 -18.138 2.493 1.00 0.00 C ATOM 1187 CG2 VAL B 393 2.361 -16.027 2.089 1.00 0.00 C ATOM 0 H VAL B 393 1.388 -15.357 -0.349 1.00 0.00 H new ATOM 0 HA VAL B 393 2.520 -17.885 0.112 1.00 0.00 H new ATOM 0 HB VAL B 393 0.322 -16.369 1.579 1.00 0.00 H new ATOM 0 HG11 VAL B 393 0.867 -17.797 3.507 1.00 0.00 H new ATOM 0 HG12 VAL B 393 0.243 -18.746 2.137 1.00 0.00 H new ATOM 0 HG13 VAL B 393 1.987 -18.735 2.491 1.00 0.00 H new ATOM 0 HG21 VAL B 393 2.135 -15.715 3.109 1.00 0.00 H new ATOM 0 HG22 VAL B 393 3.308 -16.566 2.075 1.00 0.00 H new ATOM 0 HG23 VAL B 393 2.435 -15.148 1.449 1.00 0.00 H new ATOM 1197 N THR B 394 -0.747 -17.868 -0.479 1.00 0.00 N ATOM 1198 CA THR B 394 -1.866 -18.701 -0.901 1.00 0.00 C ATOM 1199 C THR B 394 -1.556 -19.419 -2.209 1.00 0.00 C ATOM 1200 O THR B 394 -1.887 -20.593 -2.378 1.00 0.00 O ATOM 1201 CB THR B 394 -3.150 -17.868 -1.078 1.00 0.00 C ATOM 1202 OG1 THR B 394 -3.478 -17.205 0.149 1.00 0.00 O ATOM 1203 CG2 THR B 394 -4.312 -18.750 -1.509 1.00 0.00 C ATOM 0 H THR B 394 -0.983 -16.886 -0.333 1.00 0.00 H new ATOM 0 HA THR B 394 -2.025 -19.439 -0.114 1.00 0.00 H new ATOM 0 HB THR B 394 -2.970 -17.125 -1.855 1.00 0.00 H new ATOM 0 HG1 THR B 394 -2.930 -16.398 0.242 1.00 0.00 H new ATOM 0 HG21 THR B 394 -5.207 -18.140 -1.628 1.00 0.00 H new ATOM 0 HG22 THR B 394 -4.072 -19.230 -2.458 1.00 0.00 H new ATOM 0 HG23 THR B 394 -4.490 -19.513 -0.751 1.00 0.00 H new ATOM 1211 N LEU B 395 -0.917 -18.708 -3.131 1.00 0.00 N ATOM 1212 CA LEU B 395 -0.561 -19.278 -4.426 1.00 0.00 C ATOM 1213 C LEU B 395 0.568 -20.294 -4.281 1.00 0.00 C ATOM 1214 O LEU B 395 0.591 -21.314 -4.970 1.00 0.00 O ATOM 1215 CB LEU B 395 -0.144 -18.171 -5.396 1.00 0.00 C ATOM 1216 CG LEU B 395 -1.273 -17.294 -5.937 1.00 0.00 C ATOM 1217 CD1 LEU B 395 -0.722 -15.976 -6.459 1.00 0.00 C ATOM 1218 CD2 LEU B 395 -2.039 -18.024 -7.031 1.00 0.00 C ATOM 0 H LEU B 395 -0.635 -17.736 -3.006 1.00 0.00 H new ATOM 0 HA LEU B 395 -1.438 -19.789 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU B 395 0.579 -17.529 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU B 395 0.370 -18.630 -6.241 1.00 0.00 H new ATOM 0 HG LEU B 395 -1.962 -17.079 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU B 395 -1.540 -15.365 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU B 395 -0.219 -15.446 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU B 395 -0.011 -16.171 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU B 395 -2.839 -17.384 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU B 395 -1.361 -18.270 -7.848 1.00 0.00 H new ATOM 0 HD23 LEU B 395 -2.467 -18.941 -6.626 1.00 0.00 H new ATOM 1230 N CYS B 396 1.501 -20.009 -3.379 1.00 0.00 N ATOM 1231 CA CYS B 396 2.633 -20.898 -3.142 1.00 0.00 C ATOM 1232 C CYS B 396 2.179 -22.184 -2.457 1.00 0.00 C ATOM 1233 O CYS B 396 2.632 -23.275 -2.803 1.00 0.00 O ATOM 1234 CB CYS B 396 3.689 -20.196 -2.288 1.00 0.00 C ATOM 1235 SG CYS B 396 4.785 -19.102 -3.221 1.00 0.00 S ATOM 0 H CYS B 396 1.496 -19.169 -2.800 1.00 0.00 H new ATOM 0 HA CYS B 396 3.070 -21.156 -4.107 1.00 0.00 H new ATOM 0 HB2 CYS B 396 3.187 -19.616 -1.514 1.00 0.00 H new ATOM 0 HB3 CYS B 396 4.291 -20.950 -1.781 1.00 0.00 H new ATOM 0 HG CYS B 396 4.225 -17.936 -3.353 1.00 0.00 H new ATOM 1241 N ARG B 397 1.285 -22.046 -1.484 1.00 0.00 N ATOM 1242 CA ARG B 397 0.773 -23.196 -0.749 1.00 0.00 C ATOM 1243 C ARG B 397 -0.063 -24.093 -1.656 1.00 0.00 C ATOM 1244 O ARG B 397 -0.239 -25.281 -1.382 1.00 0.00 O ATOM 1245 CB ARG B 397 -0.067 -22.733 0.443 1.00 0.00 C ATOM 1246 CG ARG B 397 0.676 -21.802 1.387 1.00 0.00 C ATOM 1247 CD ARG B 397 1.330 -22.569 2.526 1.00 0.00 C ATOM 1248 NE ARG B 397 1.829 -21.679 3.570 1.00 0.00 N ATOM 1249 CZ ARG B 397 2.518 -22.097 4.626 1.00 0.00 C ATOM 1250 NH1 ARG B 397 2.790 -23.386 4.775 1.00 0.00 N ATOM 1251 NH2 ARG B 397 2.938 -21.226 5.534 1.00 0.00 N ATOM 0 H ARG B 397 0.900 -21.149 -1.186 1.00 0.00 H new ATOM 0 HA ARG B 397 1.624 -23.771 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG B 397 -0.958 -22.226 0.073 1.00 0.00 H new ATOM 0 HB3 ARG B 397 -0.405 -23.607 1.000 1.00 0.00 H new ATOM 0 HG2 ARG B 397 1.437 -21.252 0.833 1.00 0.00 H new ATOM 0 HG3 ARG B 397 -0.017 -21.065 1.794 1.00 0.00 H new ATOM 0 HD2 ARG B 397 0.609 -23.264 2.956 1.00 0.00 H new ATOM 0 HD3 ARG B 397 2.154 -23.166 2.135 1.00 0.00 H new ATOM 0 HE ARG B 397 1.638 -20.681 3.484 1.00 0.00 H new ATOM 0 HH11 ARG B 397 2.470 -24.059 4.078 1.00 0.00 H new ATOM 0 HH12 ARG B 397 3.319 -23.705 5.587 1.00 0.00 H new ATOM 0 HH21 ARG B 397 2.732 -20.233 5.422 1.00 0.00 H new ATOM 0 HH22 ARG B 397 3.467 -21.549 6.344 1.00 0.00 H new