USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 728 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 18 THR OG1 : rot 42:sc= -1.77! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -101:sc= 0.166 USER MOD Single : A 33 SER OG : rot -21:sc= 0.368 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= -0.0521 (180deg=-0.579) USER MOD Single : A 39 CYS SG : rot -52:sc= -0.0617 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00639 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 84:sc= 0.793 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 58:sc= -1.84 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot -58:sc= 0.583 USER MOD Single : A 77 LYS NZ :NH3+ 177:sc= -3.69! (180deg=-3.9!) USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0445 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0181 USER MOD Single : A 107 CYS SG : rot 15:sc= -0.493 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 110:sc= -0.0191 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 2.888 -21.250 6.763 1.00 0.00 N ATOM 293 CA THR A 18 2.789 -19.855 6.318 1.00 0.00 C ATOM 294 C THR A 18 3.554 -18.938 7.260 1.00 0.00 C ATOM 295 O THR A 18 4.010 -19.361 8.321 1.00 0.00 O ATOM 296 CB THR A 18 1.323 -19.433 6.272 1.00 0.00 C ATOM 297 OG1 THR A 18 1.244 -18.037 6.017 1.00 0.00 O ATOM 298 CG2 THR A 18 0.651 -19.747 7.605 1.00 0.00 C ATOM 0 HA THR A 18 3.224 -19.776 5.322 1.00 0.00 H new ATOM 0 HB THR A 18 0.814 -19.980 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.896 -17.793 5.327 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.395 -19.443 7.566 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.711 -20.818 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.156 -19.204 8.404 1.00 0.00 H new ATOM 306 N ARG A 19 3.707 -17.682 6.852 1.00 0.00 N ATOM 307 CA ARG A 19 4.438 -16.708 7.659 1.00 0.00 C ATOM 308 C ARG A 19 3.872 -15.309 7.450 1.00 0.00 C ATOM 309 O ARG A 19 3.202 -15.038 6.454 1.00 0.00 O ATOM 310 CB ARG A 19 5.919 -16.728 7.275 1.00 0.00 C ATOM 311 CG ARG A 19 6.069 -16.359 5.795 1.00 0.00 C ATOM 312 CD ARG A 19 7.536 -16.489 5.384 1.00 0.00 C ATOM 313 NE ARG A 19 8.345 -15.490 6.071 1.00 0.00 N ATOM 314 CZ ARG A 19 9.661 -15.431 5.896 1.00 0.00 C ATOM 315 NH1 ARG A 19 10.251 -16.276 5.095 1.00 0.00 N ATOM 316 NH2 ARG A 19 10.364 -14.528 6.523 1.00 0.00 N ATOM 0 H ARG A 19 3.338 -17.316 5.974 1.00 0.00 H new ATOM 0 HA ARG A 19 4.331 -16.975 8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.476 -16.025 7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.340 -17.717 7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.449 -17.013 5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.722 -15.340 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.900 -17.488 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.631 -16.364 4.305 1.00 0.00 H new ATOM 0 HE ARG A 19 7.893 -14.824 6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.702 -16.981 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.261 -16.231 4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.903 -13.867 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.374 -14.484 6.388 1.00 0.00 H new ATOM 330 N LYS A 20 4.152 -14.421 8.401 1.00 0.00 N ATOM 331 CA LYS A 20 3.677 -13.041 8.314 1.00 0.00 C ATOM 332 C LYS A 20 4.801 -12.136 7.830 1.00 0.00 C ATOM 333 O LYS A 20 5.956 -12.314 8.203 1.00 0.00 O ATOM 334 CB LYS A 20 3.186 -12.567 9.679 1.00 0.00 C ATOM 335 CG LYS A 20 1.947 -13.367 10.078 1.00 0.00 C ATOM 336 CD LYS A 20 1.463 -12.904 11.452 1.00 0.00 C ATOM 337 CE LYS A 20 0.218 -13.701 11.850 1.00 0.00 C ATOM 338 NZ LYS A 20 -0.250 -13.252 13.191 1.00 0.00 N ATOM 0 H LYS A 20 4.701 -14.629 9.235 1.00 0.00 H new ATOM 0 HA LYS A 20 2.850 -12.998 7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.971 -12.695 10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.950 -11.503 9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.159 -13.230 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.180 -14.431 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.250 -13.045 12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.234 -11.839 11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.570 -13.558 11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.446 -14.767 11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.096 -13.793 13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.502 -13.410 13.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.483 -12.239 13.156 1.00 0.00 H new ATOM 352 N ILE A 21 4.448 -11.165 6.992 1.00 0.00 N ATOM 353 CA ILE A 21 5.432 -10.226 6.449 1.00 0.00 C ATOM 354 C ILE A 21 5.273 -8.853 7.087 1.00 0.00 C ATOM 355 O ILE A 21 4.172 -8.295 7.131 1.00 0.00 O ATOM 356 CB ILE A 21 5.250 -10.097 4.933 1.00 0.00 C ATOM 357 CG1 ILE A 21 6.220 -9.047 4.392 1.00 0.00 C ATOM 358 CG2 ILE A 21 3.816 -9.676 4.621 1.00 0.00 C ATOM 359 CD1 ILE A 21 6.265 -9.119 2.868 1.00 0.00 C ATOM 0 H ILE A 21 3.492 -11.006 6.674 1.00 0.00 H new ATOM 0 HA ILE A 21 6.428 -10.610 6.671 1.00 0.00 H new ATOM 0 HB ILE A 21 5.453 -11.058 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.907 -8.052 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.216 -9.213 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.690 -9.585 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.125 -10.426 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.608 -8.716 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.958 -8.368 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.599 -10.110 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.270 -8.931 2.465 1.00 0.00 H new ATOM 371 N LYS A 22 6.386 -8.315 7.582 1.00 0.00 N ATOM 372 CA LYS A 22 6.391 -6.995 8.215 1.00 0.00 C ATOM 373 C LYS A 22 7.366 -6.071 7.498 1.00 0.00 C ATOM 374 O LYS A 22 7.763 -5.043 8.038 1.00 0.00 O ATOM 375 CB LYS A 22 6.793 -7.112 9.681 1.00 0.00 C ATOM 376 CG LYS A 22 5.672 -7.808 10.459 1.00 0.00 C ATOM 377 CD LYS A 22 6.084 -7.954 11.926 1.00 0.00 C ATOM 378 CE LYS A 22 4.928 -8.558 12.723 1.00 0.00 C ATOM 379 NZ LYS A 22 5.344 -8.740 14.142 1.00 0.00 N ATOM 0 H LYS A 22 7.297 -8.772 7.558 1.00 0.00 H new ATOM 0 HA LYS A 22 5.385 -6.580 8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.720 -7.678 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.981 -6.123 10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.750 -7.231 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.470 -8.788 10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.966 -8.590 12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.354 -6.981 12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.056 -7.906 12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.637 -9.516 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.558 -9.151 14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.164 -9.378 14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.601 -7.818 14.549 1.00 0.00 H new ATOM 393 N ILE A 23 7.758 -6.453 6.281 1.00 0.00 N ATOM 394 CA ILE A 23 8.702 -5.656 5.494 1.00 0.00 C ATOM 395 C ILE A 23 8.005 -4.973 4.331 1.00 0.00 C ATOM 396 O ILE A 23 7.255 -5.596 3.586 1.00 0.00 O ATOM 397 CB ILE A 23 9.811 -6.560 4.961 1.00 0.00 C ATOM 398 CG1 ILE A 23 10.560 -7.212 6.145 1.00 0.00 C ATOM 399 CG2 ILE A 23 10.791 -5.724 4.130 1.00 0.00 C ATOM 400 CD1 ILE A 23 11.161 -8.546 5.701 1.00 0.00 C ATOM 0 H ILE A 23 7.438 -7.305 5.820 1.00 0.00 H new ATOM 0 HA ILE A 23 9.124 -4.887 6.141 1.00 0.00 H new ATOM 0 HB ILE A 23 9.377 -7.340 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.347 -6.547 6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.876 -7.370 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.584 -6.367 3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.261 -5.266 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.225 -4.944 4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.689 -9.004 6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.364 -9.211 5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.859 -8.376 4.881 1.00 0.00 H new ATOM 412 N THR A 24 8.259 -3.674 4.186 1.00 0.00 N ATOM 413 CA THR A 24 7.653 -2.898 3.105 1.00 0.00 C ATOM 414 C THR A 24 8.655 -1.896 2.541 1.00 0.00 C ATOM 415 O THR A 24 9.483 -1.354 3.274 1.00 0.00 O ATOM 416 CB THR A 24 6.420 -2.159 3.620 1.00 0.00 C ATOM 417 OG1 THR A 24 5.497 -3.098 4.152 1.00 0.00 O ATOM 418 CG2 THR A 24 5.767 -1.397 2.466 1.00 0.00 C ATOM 0 H THR A 24 8.875 -3.139 4.798 1.00 0.00 H new ATOM 0 HA THR A 24 7.357 -3.583 2.311 1.00 0.00 H new ATOM 0 HB THR A 24 6.713 -1.456 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.705 -2.626 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.886 -0.869 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.477 -0.679 2.056 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.471 -2.100 1.687 1.00 0.00 H new ATOM 426 N PHE A 25 8.576 -1.660 1.235 1.00 0.00 N ATOM 427 CA PHE A 25 9.483 -0.722 0.586 1.00 0.00 C ATOM 428 C PHE A 25 8.950 0.700 0.706 1.00 0.00 C ATOM 429 O PHE A 25 7.899 1.026 0.155 1.00 0.00 O ATOM 430 CB PHE A 25 9.634 -1.084 -0.893 1.00 0.00 C ATOM 431 CG PHE A 25 10.603 -0.129 -1.550 1.00 0.00 C ATOM 432 CD1 PHE A 25 11.981 -0.309 -1.383 1.00 0.00 C ATOM 433 CD2 PHE A 25 10.124 0.936 -2.323 1.00 0.00 C ATOM 434 CE1 PHE A 25 12.883 0.575 -1.990 1.00 0.00 C ATOM 435 CE2 PHE A 25 11.027 1.819 -2.929 1.00 0.00 C ATOM 436 CZ PHE A 25 12.404 1.639 -2.763 1.00 0.00 C ATOM 0 H PHE A 25 7.900 -2.101 0.611 1.00 0.00 H new ATOM 0 HA PHE A 25 10.454 -0.781 1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.993 -2.108 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.666 -1.036 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.349 -1.130 -0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.061 1.076 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 25 13.946 0.436 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.659 2.641 -3.526 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.098 2.321 -3.231 1.00 0.00 H new ATOM 446 N ALA A 26 9.678 1.542 1.430 1.00 0.00 N ATOM 447 CA ALA A 26 9.273 2.937 1.621 1.00 0.00 C ATOM 448 C ALA A 26 10.460 3.868 1.429 1.00 0.00 C ATOM 449 O ALA A 26 11.583 3.551 1.823 1.00 0.00 O ATOM 450 CB ALA A 26 8.700 3.122 3.028 1.00 0.00 C ATOM 0 H ALA A 26 10.550 1.288 1.895 1.00 0.00 H new ATOM 0 HA ALA A 26 8.511 3.182 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.400 4.161 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.833 2.474 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.458 2.863 3.767 1.00 0.00 H new ATOM 456 N LEU A 27 10.206 5.022 0.822 1.00 0.00 N ATOM 457 CA LEU A 27 11.262 6.002 0.577 1.00 0.00 C ATOM 458 C LEU A 27 11.337 7.007 1.718 1.00 0.00 C ATOM 459 O LEU A 27 12.196 6.902 2.590 1.00 0.00 O ATOM 460 CB LEU A 27 10.993 6.737 -0.737 1.00 0.00 C ATOM 461 CG LEU A 27 10.883 5.723 -1.882 1.00 0.00 C ATOM 462 CD1 LEU A 27 10.550 6.460 -3.183 1.00 0.00 C ATOM 463 CD2 LEU A 27 12.214 4.967 -2.043 1.00 0.00 C ATOM 0 H LEU A 27 9.283 5.303 0.491 1.00 0.00 H new ATOM 0 HA LEU A 27 12.214 5.475 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.072 7.315 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.797 7.444 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 27 10.093 5.007 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.471 5.741 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.602 6.986 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.339 7.178 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.128 4.249 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.011 5.676 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.447 4.440 -1.118 1.00 0.00 H new ATOM 475 N ASP A 28 10.434 7.982 1.703 1.00 0.00 N ATOM 476 CA ASP A 28 10.408 9.004 2.744 1.00 0.00 C ATOM 477 C ASP A 28 9.662 8.502 3.973 1.00 0.00 C ATOM 478 O ASP A 28 9.004 7.462 3.931 1.00 0.00 O ATOM 479 CB ASP A 28 9.740 10.273 2.209 1.00 0.00 C ATOM 480 CG ASP A 28 10.682 11.005 1.263 1.00 0.00 C ATOM 481 OD1 ASP A 28 10.640 10.714 0.077 1.00 0.00 O ATOM 482 OD2 ASP A 28 11.421 11.852 1.733 1.00 0.00 O ATOM 0 H ASP A 28 9.715 8.086 0.987 1.00 0.00 H new ATOM 0 HA ASP A 28 11.434 9.231 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.818 10.015 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.466 10.926 3.038 1.00 0.00 H new ATOM 487 N ALA A 29 9.771 9.248 5.066 1.00 0.00 N ATOM 488 CA ALA A 29 9.105 8.869 6.306 1.00 0.00 C ATOM 489 C ALA A 29 7.589 8.923 6.144 1.00 0.00 C ATOM 490 O ALA A 29 6.863 8.098 6.694 1.00 0.00 O ATOM 491 CB ALA A 29 9.529 9.806 7.437 1.00 0.00 C ATOM 0 H ALA A 29 10.310 10.112 5.119 1.00 0.00 H new ATOM 0 HA ALA A 29 9.397 7.848 6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.026 9.514 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.608 9.743 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.256 10.830 7.183 1.00 0.00 H new ATOM 497 N THR A 30 7.116 9.908 5.394 1.00 0.00 N ATOM 498 CA THR A 30 5.682 10.068 5.176 1.00 0.00 C ATOM 499 C THR A 30 5.080 8.787 4.598 1.00 0.00 C ATOM 500 O THR A 30 4.166 8.200 5.180 1.00 0.00 O ATOM 501 CB THR A 30 5.428 11.238 4.202 1.00 0.00 C ATOM 502 OG1 THR A 30 4.307 10.939 3.382 1.00 0.00 O ATOM 503 CG2 THR A 30 6.661 11.450 3.313 1.00 0.00 C ATOM 0 H THR A 30 7.698 10.605 4.928 1.00 0.00 H new ATOM 0 HA THR A 30 5.209 10.279 6.135 1.00 0.00 H new ATOM 0 HB THR A 30 5.233 12.144 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.616 10.632 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.477 12.277 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.524 11.681 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.859 10.542 2.743 1.00 0.00 H new ATOM 511 N PHE A 31 5.602 8.357 3.456 1.00 0.00 N ATOM 512 CA PHE A 31 5.111 7.147 2.815 1.00 0.00 C ATOM 513 C PHE A 31 5.420 5.929 3.678 1.00 0.00 C ATOM 514 O PHE A 31 4.759 4.903 3.580 1.00 0.00 O ATOM 515 CB PHE A 31 5.762 6.979 1.439 1.00 0.00 C ATOM 516 CG PHE A 31 5.791 8.311 0.723 1.00 0.00 C ATOM 517 CD1 PHE A 31 4.603 9.024 0.522 1.00 0.00 C ATOM 518 CD2 PHE A 31 7.005 8.836 0.261 1.00 0.00 C ATOM 519 CE1 PHE A 31 4.631 10.256 -0.138 1.00 0.00 C ATOM 520 CE2 PHE A 31 7.031 10.071 -0.395 1.00 0.00 C ATOM 521 CZ PHE A 31 5.843 10.780 -0.596 1.00 0.00 C ATOM 0 H PHE A 31 6.360 8.825 2.959 1.00 0.00 H new ATOM 0 HA PHE A 31 4.031 7.233 2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.775 6.593 1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.206 6.250 0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.665 8.622 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.922 8.286 0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.714 10.804 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.968 10.477 -0.746 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.862 11.732 -1.105 1.00 0.00 H new ATOM 531 N ASP A 32 6.431 6.052 4.528 1.00 0.00 N ATOM 532 CA ASP A 32 6.809 4.947 5.404 1.00 0.00 C ATOM 533 C ASP A 32 5.730 4.695 6.454 1.00 0.00 C ATOM 534 O ASP A 32 5.335 3.552 6.692 1.00 0.00 O ATOM 535 CB ASP A 32 8.133 5.266 6.096 1.00 0.00 C ATOM 536 CG ASP A 32 8.671 4.022 6.795 1.00 0.00 C ATOM 537 OD1 ASP A 32 7.964 3.028 6.821 1.00 0.00 O ATOM 538 OD2 ASP A 32 9.781 4.086 7.299 1.00 0.00 O ATOM 0 H ASP A 32 6.999 6.893 4.631 1.00 0.00 H new ATOM 0 HA ASP A 32 6.920 4.048 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.858 5.624 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.990 6.067 6.821 1.00 0.00 H new ATOM 543 N SER A 33 5.256 5.770 7.076 1.00 0.00 N ATOM 544 CA SER A 33 4.223 5.653 8.099 1.00 0.00 C ATOM 545 C SER A 33 2.883 5.289 7.466 1.00 0.00 C ATOM 546 O SER A 33 2.122 4.497 8.021 1.00 0.00 O ATOM 547 CB SER A 33 4.087 6.971 8.858 1.00 0.00 C ATOM 548 OG SER A 33 3.756 8.009 7.946 1.00 0.00 O ATOM 0 H SER A 33 5.567 6.724 6.892 1.00 0.00 H new ATOM 0 HA SER A 33 4.513 4.864 8.792 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.316 6.885 9.623 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.020 7.206 9.371 1.00 0.00 H new ATOM 0 HG SER A 33 4.013 7.742 7.039 1.00 0.00 H new ATOM 554 N VAL A 34 2.598 5.879 6.308 1.00 0.00 N ATOM 555 CA VAL A 34 1.342 5.611 5.620 1.00 0.00 C ATOM 556 C VAL A 34 1.249 4.134 5.245 1.00 0.00 C ATOM 557 O VAL A 34 0.235 3.481 5.496 1.00 0.00 O ATOM 558 CB VAL A 34 1.244 6.477 4.361 1.00 0.00 C ATOM 559 CG1 VAL A 34 0.008 6.076 3.552 1.00 0.00 C ATOM 560 CG2 VAL A 34 1.131 7.952 4.767 1.00 0.00 C ATOM 0 H VAL A 34 3.213 6.539 5.832 1.00 0.00 H new ATOM 0 HA VAL A 34 0.516 5.855 6.288 1.00 0.00 H new ATOM 0 HB VAL A 34 2.136 6.331 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.058 6.695 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.086 5.028 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.886 6.219 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.061 8.571 3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.239 8.094 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.012 8.240 5.340 1.00 0.00 H new ATOM 570 N LEU A 35 2.312 3.614 4.651 1.00 0.00 N ATOM 571 CA LEU A 35 2.340 2.212 4.259 1.00 0.00 C ATOM 572 C LEU A 35 2.297 1.310 5.472 1.00 0.00 C ATOM 573 O LEU A 35 1.585 0.304 5.478 1.00 0.00 O ATOM 574 CB LEU A 35 3.603 1.926 3.419 1.00 0.00 C ATOM 575 CG LEU A 35 3.321 2.161 1.923 1.00 0.00 C ATOM 576 CD1 LEU A 35 2.475 0.997 1.369 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.566 3.498 1.722 1.00 0.00 C ATOM 0 H LEU A 35 3.160 4.136 4.431 1.00 0.00 H new ATOM 0 HA LEU A 35 1.457 2.004 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.419 2.571 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.927 0.897 3.577 1.00 0.00 H new ATOM 0 HG LEU A 35 4.269 2.210 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.276 1.164 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.019 0.061 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.531 0.943 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.373 3.651 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.619 3.466 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.173 4.319 2.103 1.00 0.00 H new ATOM 589 N SER A 36 3.060 1.670 6.485 1.00 0.00 N ATOM 590 CA SER A 36 3.100 0.876 7.699 1.00 0.00 C ATOM 591 C SER A 36 1.728 0.845 8.362 1.00 0.00 C ATOM 592 O SER A 36 1.235 -0.215 8.736 1.00 0.00 O ATOM 593 CB SER A 36 4.122 1.465 8.666 1.00 0.00 C ATOM 594 OG SER A 36 3.909 0.923 9.962 1.00 0.00 O ATOM 0 H SER A 36 3.655 2.498 6.494 1.00 0.00 H new ATOM 0 HA SER A 36 3.388 -0.143 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.133 1.239 8.327 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.030 2.551 8.694 1.00 0.00 H new ATOM 0 HG SER A 36 4.565 1.298 10.586 1.00 0.00 H new ATOM 600 N LYS A 37 1.116 2.016 8.500 1.00 0.00 N ATOM 601 CA LYS A 37 -0.197 2.109 9.128 1.00 0.00 C ATOM 602 C LYS A 37 -1.234 1.327 8.329 1.00 0.00 C ATOM 603 O LYS A 37 -2.027 0.576 8.892 1.00 0.00 O ATOM 604 CB LYS A 37 -0.622 3.576 9.228 1.00 0.00 C ATOM 605 CG LYS A 37 -1.923 3.677 10.027 1.00 0.00 C ATOM 606 CD LYS A 37 -2.307 5.150 10.195 1.00 0.00 C ATOM 607 CE LYS A 37 -3.589 5.253 11.021 1.00 0.00 C ATOM 608 NZ LYS A 37 -4.700 4.562 10.307 1.00 0.00 N ATOM 0 H LYS A 37 1.504 2.907 8.189 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.132 1.680 10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.161 4.160 9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.762 3.994 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.720 3.139 9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.800 3.209 11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.500 5.693 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.453 5.612 9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.438 4.803 12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.844 6.300 11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.562 5.142 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.439 4.424 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.875 3.638 10.750 1.00 0.00 H new ATOM 622 N ALA A 38 -1.214 1.509 7.013 1.00 0.00 N ATOM 623 CA ALA A 38 -2.153 0.814 6.141 1.00 0.00 C ATOM 624 C ALA A 38 -1.873 -0.684 6.142 1.00 0.00 C ATOM 625 O ALA A 38 -2.744 -1.491 5.815 1.00 0.00 O ATOM 626 CB ALA A 38 -2.045 1.356 4.716 1.00 0.00 C ATOM 0 H ALA A 38 -0.563 2.127 6.530 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.162 0.984 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.750 0.830 4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.276 2.421 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.032 1.203 4.344 1.00 0.00 H new ATOM 632 N CYS A 39 -0.649 -1.050 6.508 1.00 0.00 N ATOM 633 CA CYS A 39 -0.263 -2.455 6.544 1.00 0.00 C ATOM 634 C CYS A 39 1.018 -2.645 7.350 1.00 0.00 C ATOM 635 O CYS A 39 2.098 -2.812 6.784 1.00 0.00 O ATOM 636 CB CYS A 39 -0.056 -2.977 5.121 1.00 0.00 C ATOM 637 SG CYS A 39 0.706 -4.618 5.180 1.00 0.00 S ATOM 0 H CYS A 39 0.087 -0.399 6.782 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.064 -3.017 7.025 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.011 -3.027 4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.578 -2.291 4.560 1.00 0.00 H new ATOM 0 HG CYS A 39 1.767 -4.577 5.930 1.00 0.00 H new ATOM 643 N SER A 40 0.892 -2.630 8.673 1.00 0.00 N ATOM 644 CA SER A 40 2.049 -2.813 9.545 1.00 0.00 C ATOM 645 C SER A 40 2.351 -4.299 9.719 1.00 0.00 C ATOM 646 O SER A 40 3.366 -4.670 10.306 1.00 0.00 O ATOM 647 CB SER A 40 1.778 -2.184 10.915 1.00 0.00 C ATOM 648 OG SER A 40 0.594 -2.749 11.463 1.00 0.00 O ATOM 0 H SER A 40 0.008 -2.494 9.163 1.00 0.00 H new ATOM 0 HA SER A 40 2.909 -2.325 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.622 -2.360 11.582 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.668 -1.104 10.817 1.00 0.00 H new ATOM 0 HG SER A 40 0.417 -2.351 12.341 1.00 0.00 H new ATOM 654 N GLU A 41 1.464 -5.142 9.202 1.00 0.00 N ATOM 655 CA GLU A 41 1.649 -6.583 9.306 1.00 0.00 C ATOM 656 C GLU A 41 0.620 -7.314 8.453 1.00 0.00 C ATOM 657 O GLU A 41 -0.577 -7.063 8.567 1.00 0.00 O ATOM 658 CB GLU A 41 1.510 -7.028 10.764 1.00 0.00 C ATOM 659 CG GLU A 41 1.820 -8.522 10.879 1.00 0.00 C ATOM 660 CD GLU A 41 1.737 -8.959 12.335 1.00 0.00 C ATOM 661 OE1 GLU A 41 1.259 -8.179 13.143 1.00 0.00 O ATOM 662 OE2 GLU A 41 2.152 -10.067 12.624 1.00 0.00 O ATOM 0 H GLU A 41 0.617 -4.855 8.711 1.00 0.00 H new ATOM 0 HA GLU A 41 2.649 -6.828 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.190 -6.456 11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.500 -6.828 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.115 -9.096 10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.815 -8.727 10.485 1.00 0.00 H new ATOM 669 N PHE A 42 1.099 -8.219 7.599 1.00 0.00 N ATOM 670 CA PHE A 42 0.205 -8.985 6.725 1.00 0.00 C ATOM 671 C PHE A 42 0.499 -10.474 6.848 1.00 0.00 C ATOM 672 O PHE A 42 1.588 -10.868 7.261 1.00 0.00 O ATOM 673 CB PHE A 42 0.382 -8.538 5.272 1.00 0.00 C ATOM 674 CG PHE A 42 -0.808 -8.992 4.457 1.00 0.00 C ATOM 675 CD1 PHE A 42 -0.850 -10.291 3.943 1.00 0.00 C ATOM 676 CD2 PHE A 42 -1.866 -8.111 4.221 1.00 0.00 C ATOM 677 CE1 PHE A 42 -1.951 -10.712 3.193 1.00 0.00 C ATOM 678 CE2 PHE A 42 -2.970 -8.530 3.471 1.00 0.00 C ATOM 679 CZ PHE A 42 -3.012 -9.831 2.956 1.00 0.00 C ATOM 0 H PHE A 42 2.089 -8.439 7.493 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.825 -8.802 7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.477 -7.453 5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.300 -8.958 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.030 -10.970 4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.832 -7.107 4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.983 -11.716 2.797 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.789 -7.850 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.863 -10.155 2.376 1.00 0.00 H new ATOM 689 N GLU A 43 -0.481 -11.297 6.489 1.00 0.00 N ATOM 690 CA GLU A 43 -0.325 -12.752 6.563 1.00 0.00 C ATOM 691 C GLU A 43 -0.241 -13.349 5.165 1.00 0.00 C ATOM 692 O GLU A 43 -1.190 -13.265 4.389 1.00 0.00 O ATOM 693 CB GLU A 43 -1.516 -13.367 7.310 1.00 0.00 C ATOM 694 CG GLU A 43 -2.801 -12.623 6.931 1.00 0.00 C ATOM 695 CD GLU A 43 -2.887 -11.300 7.688 1.00 0.00 C ATOM 696 OE1 GLU A 43 -2.444 -11.259 8.825 1.00 0.00 O ATOM 697 OE2 GLU A 43 -3.394 -10.348 7.119 1.00 0.00 O ATOM 0 H GLU A 43 -1.390 -10.986 6.145 1.00 0.00 H new ATOM 0 HA GLU A 43 0.597 -12.975 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.609 -14.424 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.353 -13.307 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.819 -12.438 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.669 -13.240 7.163 1.00 0.00 H new ATOM 704 N VAL A 44 0.902 -13.956 4.856 1.00 0.00 N ATOM 705 CA VAL A 44 1.108 -14.569 3.543 1.00 0.00 C ATOM 706 C VAL A 44 1.431 -16.045 3.698 1.00 0.00 C ATOM 707 O VAL A 44 2.310 -16.427 4.470 1.00 0.00 O ATOM 708 CB VAL A 44 2.261 -13.869 2.816 1.00 0.00 C ATOM 709 CG1 VAL A 44 1.870 -12.425 2.483 1.00 0.00 C ATOM 710 CG2 VAL A 44 3.509 -13.863 3.713 1.00 0.00 C ATOM 0 H VAL A 44 1.696 -14.037 5.491 1.00 0.00 H new ATOM 0 HA VAL A 44 0.193 -14.462 2.961 1.00 0.00 H new ATOM 0 HB VAL A 44 2.476 -14.406 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.695 -11.935 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.989 -12.425 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.647 -11.887 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.328 -13.365 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.289 -13.331 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.796 -14.889 3.943 1.00 0.00 H new ATOM 720 N ASP A 45 0.710 -16.879 2.950 1.00 0.00 N ATOM 721 CA ASP A 45 0.916 -18.327 2.996 1.00 0.00 C ATOM 722 C ASP A 45 1.455 -18.820 1.656 1.00 0.00 C ATOM 723 O ASP A 45 1.470 -18.080 0.672 1.00 0.00 O ATOM 724 CB ASP A 45 -0.400 -19.034 3.316 1.00 0.00 C ATOM 725 CG ASP A 45 -1.474 -18.630 2.317 1.00 0.00 C ATOM 726 OD1 ASP A 45 -1.441 -17.497 1.870 1.00 0.00 O ATOM 727 OD2 ASP A 45 -2.317 -19.460 2.017 1.00 0.00 O ATOM 0 H ASP A 45 -0.021 -16.578 2.306 1.00 0.00 H new ATOM 0 HA ASP A 45 1.641 -18.555 3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.256 -20.114 3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.720 -18.781 4.327 1.00 0.00 H new ATOM 732 N LYS A 46 1.899 -20.070 1.627 1.00 0.00 N ATOM 733 CA LYS A 46 2.441 -20.652 0.405 1.00 0.00 C ATOM 734 C LYS A 46 1.462 -20.482 -0.746 1.00 0.00 C ATOM 735 O LYS A 46 0.653 -21.368 -1.009 1.00 0.00 O ATOM 736 CB LYS A 46 2.713 -22.140 0.618 1.00 0.00 C ATOM 737 CG LYS A 46 3.918 -22.307 1.544 1.00 0.00 C ATOM 738 CD LYS A 46 4.087 -23.787 1.910 1.00 0.00 C ATOM 739 CE LYS A 46 4.683 -24.554 0.726 1.00 0.00 C ATOM 740 NZ LYS A 46 5.111 -25.905 1.176 1.00 0.00 N ATOM 0 H LYS A 46 1.895 -20.698 2.431 1.00 0.00 H new ATOM 0 HA LYS A 46 3.371 -20.138 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.837 -22.623 1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.905 -22.627 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.819 -21.938 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.780 -21.712 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.736 -23.883 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.123 -24.215 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.946 -24.641 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.534 -24.009 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.516 -26.426 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.827 -25.811 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.289 -26.424 1.547 1.00 0.00 H new ATOM 754 N ASP A 47 1.546 -19.342 -1.426 1.00 0.00 N ATOM 755 CA ASP A 47 0.661 -19.059 -2.553 1.00 0.00 C ATOM 756 C ASP A 47 0.761 -17.588 -2.954 1.00 0.00 C ATOM 757 O ASP A 47 0.504 -17.230 -4.103 1.00 0.00 O ATOM 758 CB ASP A 47 -0.795 -19.386 -2.180 1.00 0.00 C ATOM 759 CG ASP A 47 -1.052 -19.020 -0.719 1.00 0.00 C ATOM 760 OD1 ASP A 47 -1.410 -17.880 -0.470 1.00 0.00 O ATOM 761 OD2 ASP A 47 -0.879 -19.879 0.127 1.00 0.00 O ATOM 0 H ASP A 47 2.215 -18.601 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 47 0.969 -19.681 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.478 -18.836 -2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.991 -20.447 -2.338 1.00 0.00 H new ATOM 766 N VAL A 48 1.122 -16.741 -1.997 1.00 0.00 N ATOM 767 CA VAL A 48 1.236 -15.315 -2.265 1.00 0.00 C ATOM 768 C VAL A 48 2.523 -15.021 -3.021 1.00 0.00 C ATOM 769 O VAL A 48 3.601 -15.456 -2.622 1.00 0.00 O ATOM 770 CB VAL A 48 1.226 -14.534 -0.947 1.00 0.00 C ATOM 771 CG1 VAL A 48 1.104 -13.033 -1.234 1.00 0.00 C ATOM 772 CG2 VAL A 48 0.036 -14.988 -0.093 1.00 0.00 C ATOM 0 H VAL A 48 1.339 -17.014 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 48 0.387 -15.006 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 48 2.155 -14.724 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.097 -12.482 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.951 -12.708 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.177 -12.840 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.028 -14.433 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.892 -14.801 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.125 -16.054 0.117 1.00 0.00 H new ATOM 782 N THR A 49 2.400 -14.278 -4.116 1.00 0.00 N ATOM 783 CA THR A 49 3.563 -13.919 -4.933 1.00 0.00 C ATOM 784 C THR A 49 3.652 -12.411 -5.079 1.00 0.00 C ATOM 785 O THR A 49 2.658 -11.705 -4.917 1.00 0.00 O ATOM 786 CB THR A 49 3.446 -14.566 -6.314 1.00 0.00 C ATOM 787 OG1 THR A 49 2.601 -13.774 -7.139 1.00 0.00 O ATOM 788 CG2 THR A 49 2.854 -15.970 -6.173 1.00 0.00 C ATOM 0 H THR A 49 1.512 -13.912 -4.461 1.00 0.00 H new ATOM 0 HA THR A 49 4.466 -14.281 -4.441 1.00 0.00 H new ATOM 0 HB THR A 49 4.435 -14.634 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.527 -14.188 -8.024 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.771 -16.430 -7.157 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.503 -16.577 -5.542 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.865 -15.904 -5.719 1.00 0.00 H new ATOM 796 N LEU A 50 4.856 -11.921 -5.376 1.00 0.00 N ATOM 797 CA LEU A 50 5.081 -10.484 -5.532 1.00 0.00 C ATOM 798 C LEU A 50 3.876 -9.819 -6.194 1.00 0.00 C ATOM 799 O LEU A 50 3.481 -8.717 -5.817 1.00 0.00 O ATOM 800 CB LEU A 50 6.330 -10.244 -6.389 1.00 0.00 C ATOM 801 CG LEU A 50 6.347 -11.240 -7.581 1.00 0.00 C ATOM 802 CD1 LEU A 50 6.813 -10.524 -8.849 1.00 0.00 C ATOM 803 CD2 LEU A 50 7.297 -12.405 -7.272 1.00 0.00 C ATOM 0 H LEU A 50 5.687 -12.496 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 50 5.224 -10.048 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.337 -9.219 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.228 -10.371 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 50 5.340 -11.627 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.823 -11.228 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.131 -9.704 -9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.817 -10.129 -8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.305 -13.100 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.304 -12.020 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.958 -12.923 -6.375 1.00 0.00 H new ATOM 815 N ASP A 51 3.294 -10.503 -7.173 1.00 0.00 N ATOM 816 CA ASP A 51 2.129 -9.973 -7.869 1.00 0.00 C ATOM 817 C ASP A 51 0.956 -9.816 -6.903 1.00 0.00 C ATOM 818 O ASP A 51 0.281 -8.784 -6.890 1.00 0.00 O ATOM 819 CB ASP A 51 1.732 -10.912 -9.010 1.00 0.00 C ATOM 820 CG ASP A 51 2.742 -10.810 -10.150 1.00 0.00 C ATOM 821 OD1 ASP A 51 3.505 -9.857 -10.154 1.00 0.00 O ATOM 822 OD2 ASP A 51 2.739 -11.683 -10.999 1.00 0.00 O ATOM 0 H ASP A 51 3.607 -11.417 -7.500 1.00 0.00 H new ATOM 0 HA ASP A 51 2.384 -8.995 -8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.685 -11.939 -8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.736 -10.656 -9.372 1.00 0.00 H new ATOM 827 N GLU A 52 0.721 -10.845 -6.094 1.00 0.00 N ATOM 828 CA GLU A 52 -0.372 -10.809 -5.128 1.00 0.00 C ATOM 829 C GLU A 52 -0.092 -9.761 -4.056 1.00 0.00 C ATOM 830 O GLU A 52 -1.002 -9.064 -3.609 1.00 0.00 O ATOM 831 CB GLU A 52 -0.545 -12.183 -4.479 1.00 0.00 C ATOM 832 CG GLU A 52 -1.831 -12.199 -3.649 1.00 0.00 C ATOM 833 CD GLU A 52 -3.045 -12.177 -4.571 1.00 0.00 C ATOM 834 OE1 GLU A 52 -2.860 -12.346 -5.767 1.00 0.00 O ATOM 835 OE2 GLU A 52 -4.141 -11.981 -4.073 1.00 0.00 O ATOM 0 H GLU A 52 1.267 -11.706 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.292 -10.544 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.585 -12.956 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.312 -12.408 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.857 -13.089 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.854 -11.337 -2.982 1.00 0.00 H new ATOM 842 N LEU A 53 1.168 -9.658 -3.651 1.00 0.00 N ATOM 843 CA LEU A 53 1.547 -8.685 -2.640 1.00 0.00 C ATOM 844 C LEU A 53 1.283 -7.274 -3.131 1.00 0.00 C ATOM 845 O LEU A 53 0.796 -6.432 -2.395 1.00 0.00 O ATOM 846 CB LEU A 53 3.041 -8.843 -2.296 1.00 0.00 C ATOM 847 CG LEU A 53 3.214 -9.865 -1.157 1.00 0.00 C ATOM 848 CD1 LEU A 53 4.599 -10.503 -1.239 1.00 0.00 C ATOM 849 CD2 LEU A 53 3.059 -9.145 0.192 1.00 0.00 C ATOM 0 H LEU A 53 1.935 -10.230 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 53 0.947 -8.862 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.593 -9.171 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.458 -7.881 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 53 2.457 -10.644 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.715 -11.225 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.710 -11.010 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.362 -9.730 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.180 -9.863 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.818 -8.367 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.069 -8.694 0.252 1.00 0.00 H new ATOM 861 N LEU A 54 1.628 -7.012 -4.371 1.00 0.00 N ATOM 862 CA LEU A 54 1.432 -5.685 -4.926 1.00 0.00 C ATOM 863 C LEU A 54 -0.062 -5.374 -5.069 1.00 0.00 C ATOM 864 O LEU A 54 -0.507 -4.245 -4.842 1.00 0.00 O ATOM 865 CB LEU A 54 2.124 -5.589 -6.301 1.00 0.00 C ATOM 866 CG LEU A 54 2.646 -4.162 -6.527 1.00 0.00 C ATOM 867 CD1 LEU A 54 3.270 -4.063 -7.917 1.00 0.00 C ATOM 868 CD2 LEU A 54 1.490 -3.158 -6.403 1.00 0.00 C ATOM 0 H LEU A 54 2.042 -7.689 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 54 1.872 -4.954 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.949 -6.299 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.422 -5.858 -7.090 1.00 0.00 H new ATOM 0 HG LEU A 54 3.400 -3.930 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.641 -3.051 -8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.097 -4.769 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.519 -4.299 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.867 -2.148 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.729 -3.385 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.053 -3.228 -5.407 1.00 0.00 H new ATOM 880 N ASP A 55 -0.822 -6.376 -5.478 1.00 0.00 N ATOM 881 CA ASP A 55 -2.252 -6.196 -5.681 1.00 0.00 C ATOM 882 C ASP A 55 -2.981 -5.942 -4.364 1.00 0.00 C ATOM 883 O ASP A 55 -3.841 -5.059 -4.272 1.00 0.00 O ATOM 884 CB ASP A 55 -2.843 -7.439 -6.350 1.00 0.00 C ATOM 885 CG ASP A 55 -4.338 -7.251 -6.583 1.00 0.00 C ATOM 886 OD1 ASP A 55 -4.854 -6.218 -6.184 1.00 0.00 O ATOM 887 OD2 ASP A 55 -4.946 -8.142 -7.152 1.00 0.00 O ATOM 0 H ASP A 55 -0.478 -7.316 -5.675 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.387 -5.324 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.340 -7.624 -7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.672 -8.314 -5.723 1.00 0.00 H new ATOM 892 N VAL A 56 -2.632 -6.721 -3.348 1.00 0.00 N ATOM 893 CA VAL A 56 -3.266 -6.584 -2.042 1.00 0.00 C ATOM 894 C VAL A 56 -2.723 -5.371 -1.301 1.00 0.00 C ATOM 895 O VAL A 56 -3.481 -4.603 -0.719 1.00 0.00 O ATOM 896 CB VAL A 56 -3.034 -7.851 -1.216 1.00 0.00 C ATOM 897 CG1 VAL A 56 -1.559 -7.957 -0.845 1.00 0.00 C ATOM 898 CG2 VAL A 56 -3.879 -7.791 0.055 1.00 0.00 C ATOM 0 H VAL A 56 -1.919 -7.449 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.336 -6.442 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.321 -8.724 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.396 -8.860 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.958 -8.002 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.267 -7.085 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.715 -8.693 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.593 -6.918 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.933 -7.719 -0.212 1.00 0.00 H new ATOM 908 N VAL A 57 -1.405 -5.212 -1.310 1.00 0.00 N ATOM 909 CA VAL A 57 -0.785 -4.095 -0.614 1.00 0.00 C ATOM 910 C VAL A 57 -1.331 -2.783 -1.155 1.00 0.00 C ATOM 911 O VAL A 57 -1.712 -1.893 -0.389 1.00 0.00 O ATOM 912 CB VAL A 57 0.738 -4.142 -0.816 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.374 -2.850 -0.301 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.326 -5.346 -0.059 1.00 0.00 C ATOM 0 H VAL A 57 -0.753 -5.835 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.012 -4.166 0.450 1.00 0.00 H new ATOM 0 HB VAL A 57 0.952 -4.245 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.453 -2.892 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.966 -2.000 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.157 -2.736 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.406 -5.375 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.106 -5.250 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.883 -6.266 -0.439 1.00 0.00 H new ATOM 924 N LEU A 58 -1.370 -2.659 -2.481 1.00 0.00 N ATOM 925 CA LEU A 58 -1.873 -1.440 -3.088 1.00 0.00 C ATOM 926 C LEU A 58 -3.353 -1.258 -2.763 1.00 0.00 C ATOM 927 O LEU A 58 -3.761 -0.234 -2.213 1.00 0.00 O ATOM 928 CB LEU A 58 -1.689 -1.515 -4.603 1.00 0.00 C ATOM 929 CG LEU A 58 -1.909 -0.127 -5.223 1.00 0.00 C ATOM 930 CD1 LEU A 58 -0.759 0.825 -4.814 1.00 0.00 C ATOM 931 CD2 LEU A 58 -1.967 -0.255 -6.759 1.00 0.00 C ATOM 0 H LEU A 58 -1.065 -3.375 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.318 -0.590 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.688 -1.875 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.393 -2.230 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.850 0.285 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.924 1.807 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.732 0.918 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.190 0.422 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.123 0.729 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.029 -0.672 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.790 -0.913 -7.038 1.00 0.00 H new ATOM 943 N ASP A 59 -4.157 -2.261 -3.114 1.00 0.00 N ATOM 944 CA ASP A 59 -5.587 -2.198 -2.853 1.00 0.00 C ATOM 945 C ASP A 59 -5.840 -1.839 -1.393 1.00 0.00 C ATOM 946 O ASP A 59 -6.733 -1.053 -1.080 1.00 0.00 O ATOM 947 CB ASP A 59 -6.234 -3.546 -3.166 1.00 0.00 C ATOM 948 CG ASP A 59 -6.254 -3.784 -4.671 1.00 0.00 C ATOM 949 OD1 ASP A 59 -5.901 -2.871 -5.399 1.00 0.00 O ATOM 950 OD2 ASP A 59 -6.629 -4.872 -5.076 1.00 0.00 O ATOM 0 H ASP A 59 -3.844 -3.116 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.025 -1.430 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.683 -4.346 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.251 -3.570 -2.773 1.00 0.00 H new ATOM 955 N ALA A 60 -5.040 -2.418 -0.503 1.00 0.00 N ATOM 956 CA ALA A 60 -5.178 -2.153 0.925 1.00 0.00 C ATOM 957 C ALA A 60 -4.972 -0.671 1.216 1.00 0.00 C ATOM 958 O ALA A 60 -5.746 -0.063 1.955 1.00 0.00 O ATOM 959 CB ALA A 60 -4.152 -2.973 1.711 1.00 0.00 C ATOM 0 H ALA A 60 -4.293 -3.070 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.184 -2.438 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.262 -2.769 2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.316 -4.035 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.146 -2.700 1.391 1.00 0.00 H new ATOM 965 N VAL A 61 -3.923 -0.097 0.639 1.00 0.00 N ATOM 966 CA VAL A 61 -3.628 1.316 0.853 1.00 0.00 C ATOM 967 C VAL A 61 -4.763 2.190 0.331 1.00 0.00 C ATOM 968 O VAL A 61 -5.198 3.124 1.002 1.00 0.00 O ATOM 969 CB VAL A 61 -2.328 1.691 0.140 1.00 0.00 C ATOM 970 CG1 VAL A 61 -2.111 3.207 0.215 1.00 0.00 C ATOM 971 CG2 VAL A 61 -1.152 0.972 0.808 1.00 0.00 C ATOM 0 H VAL A 61 -3.268 -0.582 0.025 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.520 1.484 1.924 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.393 1.390 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.183 3.467 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.945 3.718 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.050 3.515 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.226 1.240 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.090 1.270 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.302 -0.106 0.746 1.00 0.00 H new ATOM 981 N GLU A 62 -5.232 1.885 -0.871 1.00 0.00 N ATOM 982 CA GLU A 62 -6.312 2.659 -1.473 1.00 0.00 C ATOM 983 C GLU A 62 -7.587 2.530 -0.650 1.00 0.00 C ATOM 984 O GLU A 62 -8.297 3.513 -0.433 1.00 0.00 O ATOM 985 CB GLU A 62 -6.571 2.167 -2.899 1.00 0.00 C ATOM 986 CG GLU A 62 -7.641 3.041 -3.559 1.00 0.00 C ATOM 987 CD GLU A 62 -7.842 2.619 -5.009 1.00 0.00 C ATOM 988 OE1 GLU A 62 -7.336 1.571 -5.376 1.00 0.00 O ATOM 989 OE2 GLU A 62 -8.500 3.348 -5.731 1.00 0.00 O ATOM 0 H GLU A 62 -4.887 1.115 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.014 3.707 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.649 2.203 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.897 1.127 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.580 2.953 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.343 4.089 -3.515 1.00 0.00 H new ATOM 996 N SER A 63 -7.882 1.314 -0.207 1.00 0.00 N ATOM 997 CA SER A 63 -9.089 1.075 0.582 1.00 0.00 C ATOM 998 C SER A 63 -9.037 1.839 1.901 1.00 0.00 C ATOM 999 O SER A 63 -9.944 2.610 2.217 1.00 0.00 O ATOM 1000 CB SER A 63 -9.229 -0.416 0.868 1.00 0.00 C ATOM 1001 OG SER A 63 -10.154 -0.607 1.930 1.00 0.00 O ATOM 0 H SER A 63 -7.311 0.486 -0.377 1.00 0.00 H new ATOM 0 HA SER A 63 -9.947 1.425 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.571 -0.939 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.260 -0.839 1.134 1.00 0.00 H new ATOM 0 HG SER A 63 -10.247 -1.565 2.115 1.00 0.00 H new ATOM 1007 N THR A 64 -7.973 1.621 2.665 1.00 0.00 N ATOM 1008 CA THR A 64 -7.823 2.291 3.953 1.00 0.00 C ATOM 1009 C THR A 64 -7.746 3.796 3.765 1.00 0.00 C ATOM 1010 O THR A 64 -8.442 4.549 4.442 1.00 0.00 O ATOM 1011 CB THR A 64 -6.556 1.799 4.652 1.00 0.00 C ATOM 1012 OG1 THR A 64 -6.540 0.379 4.656 1.00 0.00 O ATOM 1013 CG2 THR A 64 -6.528 2.318 6.091 1.00 0.00 C ATOM 0 H THR A 64 -7.208 0.992 2.419 1.00 0.00 H new ATOM 0 HA THR A 64 -8.692 2.056 4.567 1.00 0.00 H new ATOM 0 HB THR A 64 -5.680 2.170 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.173 0.054 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.624 1.966 6.587 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.538 3.408 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.403 1.950 6.627 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.894 4.230 2.838 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.729 5.652 2.562 1.00 0.00 C ATOM 1023 C LEU A 65 -7.336 6.018 1.213 1.00 0.00 C ATOM 1024 O LEU A 65 -6.677 5.921 0.179 1.00 0.00 O ATOM 1025 CB LEU A 65 -5.243 6.010 2.567 1.00 0.00 C ATOM 1026 CG LEU A 65 -5.077 7.540 2.594 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -5.333 8.083 4.012 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -3.656 7.907 2.156 1.00 0.00 C ATOM 0 H LEU A 65 -6.310 3.618 2.268 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.246 6.214 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.755 5.566 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.757 5.598 1.683 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.801 7.985 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.212 9.166 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.348 7.831 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.621 7.637 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.538 8.990 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.936 7.452 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.481 7.541 1.144 1.00 0.00 H new ATOM 1040 N SER A 66 -8.591 6.453 1.234 1.00 0.00 N ATOM 1041 CA SER A 66 -9.274 6.853 0.008 1.00 0.00 C ATOM 1042 C SER A 66 -8.846 8.261 -0.415 1.00 0.00 C ATOM 1043 O SER A 66 -8.559 8.509 -1.589 1.00 0.00 O ATOM 1044 CB SER A 66 -10.799 6.805 0.221 1.00 0.00 C ATOM 1045 OG SER A 66 -11.369 5.928 -0.734 1.00 0.00 O ATOM 0 H SER A 66 -9.154 6.538 2.081 1.00 0.00 H new ATOM 0 HA SER A 66 -9.000 6.158 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.028 6.463 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.225 7.803 0.118 1.00 0.00 H new ATOM 0 HG SER A 66 -12.340 5.890 -0.605 1.00 0.00 H new ATOM 1051 N PRO A 67 -8.820 9.188 0.518 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.448 10.596 0.239 1.00 0.00 C ATOM 1053 C PRO A 67 -6.941 10.803 0.251 1.00 0.00 C ATOM 1054 O PRO A 67 -6.294 10.629 1.279 1.00 0.00 O ATOM 1055 CB PRO A 67 -9.123 11.370 1.381 1.00 0.00 C ATOM 1056 CG PRO A 67 -9.226 10.400 2.529 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.134 8.983 1.941 1.00 0.00 C ATOM 0 HA PRO A 67 -8.765 10.922 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.537 12.245 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.108 11.728 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.425 10.570 3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.167 10.534 3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.359 8.398 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.072 8.441 2.065 1.00 0.00 H new ATOM 1065 N CYS A 68 -6.390 11.180 -0.900 1.00 0.00 N ATOM 1066 CA CYS A 68 -4.952 11.418 -1.016 1.00 0.00 C ATOM 1067 C CYS A 68 -4.684 12.760 -1.688 1.00 0.00 C ATOM 1068 O CYS A 68 -3.713 13.443 -1.367 1.00 0.00 O ATOM 1069 CB CYS A 68 -4.308 10.295 -1.827 1.00 0.00 C ATOM 1070 SG CYS A 68 -5.008 8.707 -1.312 1.00 0.00 S ATOM 0 H CYS A 68 -6.914 11.327 -1.763 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.519 11.438 -0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.482 10.454 -2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.228 10.295 -1.677 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.298 8.730 -1.469 1.00 0.00 H new ATOM 1076 N LYS A 69 -5.551 13.131 -2.623 1.00 0.00 N ATOM 1077 CA LYS A 69 -5.400 14.392 -3.342 1.00 0.00 C ATOM 1078 C LYS A 69 -5.548 15.574 -2.389 1.00 0.00 C ATOM 1079 O LYS A 69 -4.991 16.647 -2.620 1.00 0.00 O ATOM 1080 CB LYS A 69 -6.439 14.491 -4.457 1.00 0.00 C ATOM 1081 CG LYS A 69 -6.138 15.714 -5.326 1.00 0.00 C ATOM 1082 CD LYS A 69 -7.130 15.772 -6.489 1.00 0.00 C ATOM 1083 CE LYS A 69 -6.816 16.984 -7.369 1.00 0.00 C ATOM 1084 NZ LYS A 69 -7.757 17.013 -8.525 1.00 0.00 N ATOM 0 H LYS A 69 -6.363 12.580 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.403 14.420 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.423 13.586 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.439 14.571 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.208 16.623 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.118 15.660 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.070 14.857 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.149 15.840 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.907 17.902 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.787 16.932 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.545 17.836 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.649 16.142 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.734 17.081 -8.176 1.00 0.00 H new ATOM 1098 N GLU A 70 -6.311 15.372 -1.321 1.00 0.00 N ATOM 1099 CA GLU A 70 -6.537 16.427 -0.341 1.00 0.00 C ATOM 1100 C GLU A 70 -5.293 16.650 0.503 1.00 0.00 C ATOM 1101 O GLU A 70 -4.976 17.781 0.865 1.00 0.00 O ATOM 1102 CB GLU A 70 -7.717 16.058 0.565 1.00 0.00 C ATOM 1103 CG GLU A 70 -9.023 16.055 -0.244 1.00 0.00 C ATOM 1104 CD GLU A 70 -9.164 14.745 -1.017 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -8.237 13.953 -0.977 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -10.193 14.558 -1.644 1.00 0.00 O ATOM 0 H GLU A 70 -6.782 14.491 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.767 17.349 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.552 15.076 1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.791 16.770 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.874 16.184 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.032 16.897 -0.936 1.00 0.00 H new ATOM 1113 N HIS A 71 -4.585 15.567 0.806 1.00 0.00 N ATOM 1114 CA HIS A 71 -3.365 15.662 1.603 1.00 0.00 C ATOM 1115 C HIS A 71 -2.154 15.829 0.694 1.00 0.00 C ATOM 1116 O HIS A 71 -1.748 14.893 0.006 1.00 0.00 O ATOM 1117 CB HIS A 71 -3.200 14.401 2.452 1.00 0.00 C ATOM 1118 CG HIS A 71 -4.248 14.382 3.530 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -4.145 15.157 4.672 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -5.426 13.685 3.654 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -5.231 14.913 5.428 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -6.044 14.023 4.854 1.00 0.00 N ATOM 0 H HIS A 71 -4.831 14.621 0.515 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.440 16.531 2.257 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.291 13.514 1.826 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.205 14.377 2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.813 12.982 2.931 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -5.422 15.380 6.383 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.928 13.667 5.217 1.00 0.00 H new ATOM 1130 N ASP A 72 -1.579 17.026 0.698 1.00 0.00 N ATOM 1131 CA ASP A 72 -0.412 17.310 -0.127 1.00 0.00 C ATOM 1132 C ASP A 72 0.773 16.455 0.310 1.00 0.00 C ATOM 1133 O ASP A 72 1.639 16.114 -0.497 1.00 0.00 O ATOM 1134 CB ASP A 72 -0.040 18.789 -0.020 1.00 0.00 C ATOM 1135 CG ASP A 72 0.952 19.158 -1.119 1.00 0.00 C ATOM 1136 OD1 ASP A 72 2.135 18.936 -0.919 1.00 0.00 O ATOM 1137 OD2 ASP A 72 0.515 19.658 -2.142 1.00 0.00 O ATOM 0 H ASP A 72 -1.901 17.813 1.262 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.658 17.072 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.935 19.405 -0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.396 18.993 0.958 1.00 0.00 H new ATOM 1142 N VAL A 73 0.811 16.118 1.595 1.00 0.00 N ATOM 1143 CA VAL A 73 1.902 15.314 2.128 1.00 0.00 C ATOM 1144 C VAL A 73 1.965 13.969 1.416 1.00 0.00 C ATOM 1145 O VAL A 73 3.041 13.516 1.027 1.00 0.00 O ATOM 1146 CB VAL A 73 1.698 15.087 3.630 1.00 0.00 C ATOM 1147 CG1 VAL A 73 2.804 14.179 4.167 1.00 0.00 C ATOM 1148 CG2 VAL A 73 1.742 16.433 4.355 1.00 0.00 C ATOM 0 H VAL A 73 0.105 16.387 2.280 1.00 0.00 H new ATOM 0 HA VAL A 73 2.838 15.847 1.965 1.00 0.00 H new ATOM 0 HB VAL A 73 0.731 14.613 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.657 14.019 5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.772 13.221 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.773 14.649 4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.597 16.275 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.709 16.906 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.951 17.078 3.973 1.00 0.00 H new ATOM 1158 N ILE A 74 0.810 13.335 1.247 1.00 0.00 N ATOM 1159 CA ILE A 74 0.746 12.037 0.577 1.00 0.00 C ATOM 1160 C ILE A 74 0.229 12.201 -0.850 1.00 0.00 C ATOM 1161 O ILE A 74 0.279 11.266 -1.647 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.180 11.088 1.349 1.00 0.00 C ATOM 1163 CG1 ILE A 74 0.033 11.279 2.855 1.00 0.00 C ATOM 1164 CG2 ILE A 74 0.146 9.635 0.971 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -0.949 10.398 3.626 1.00 0.00 C ATOM 0 H ILE A 74 -0.091 13.694 1.562 1.00 0.00 H new ATOM 0 HA ILE A 74 1.751 11.616 0.547 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.217 11.308 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.057 11.021 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.113 12.325 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.511 8.960 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.002 9.496 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.183 9.417 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.797 10.534 4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.970 10.677 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.782 9.353 3.366 1.00 0.00 H new ATOM 1177 N GLY A 75 -0.271 13.394 -1.159 1.00 0.00 N ATOM 1178 CA GLY A 75 -0.803 13.668 -2.489 1.00 0.00 C ATOM 1179 C GLY A 75 0.167 13.200 -3.564 1.00 0.00 C ATOM 1180 O GLY A 75 1.209 12.632 -3.254 1.00 0.00 O ATOM 0 H GLY A 75 -0.319 14.181 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.762 13.164 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.988 14.737 -2.599 1.00 0.00 H new ATOM 1184 N THR A 76 -0.177 13.448 -4.825 1.00 0.00 N ATOM 1185 CA THR A 76 0.670 13.050 -5.944 1.00 0.00 C ATOM 1186 C THR A 76 0.600 11.538 -6.162 1.00 0.00 C ATOM 1187 O THR A 76 0.714 11.043 -7.294 1.00 0.00 O ATOM 1188 CB THR A 76 2.121 13.474 -5.676 1.00 0.00 C ATOM 1189 OG1 THR A 76 2.765 12.474 -4.897 1.00 0.00 O ATOM 1190 CG2 THR A 76 2.156 14.825 -4.928 1.00 0.00 C ATOM 0 H THR A 76 -1.038 13.923 -5.097 1.00 0.00 H new ATOM 0 HA THR A 76 0.310 13.546 -6.846 1.00 0.00 H new ATOM 0 HB THR A 76 2.641 13.590 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.273 12.344 -4.059 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.191 15.113 -4.745 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.669 15.589 -5.534 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.633 14.728 -3.977 1.00 0.00 H new ATOM 1198 N LYS A 77 0.392 10.810 -5.072 1.00 0.00 N ATOM 1199 CA LYS A 77 0.293 9.367 -5.153 1.00 0.00 C ATOM 1200 C LYS A 77 -0.900 8.975 -6.017 1.00 0.00 C ATOM 1201 O LYS A 77 -0.861 7.969 -6.715 1.00 0.00 O ATOM 1202 CB LYS A 77 0.147 8.777 -3.751 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.222 9.190 -3.147 1.00 0.00 C ATOM 1204 CD LYS A 77 -2.237 8.040 -3.300 1.00 0.00 C ATOM 1205 CE LYS A 77 -2.077 7.067 -2.124 1.00 0.00 C ATOM 1206 NZ LYS A 77 -0.636 6.981 -1.737 1.00 0.00 N ATOM 0 H LYS A 77 0.290 11.194 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 77 1.201 8.972 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.223 7.691 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.957 9.128 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.102 9.442 -2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.595 10.083 -3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.252 8.436 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.075 7.519 -4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.672 7.405 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.449 6.081 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.536 6.361 -0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.086 6.591 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.282 7.931 -1.504 1.00 0.00 H new ATOM 1220 N VAL A 78 -1.964 9.774 -5.961 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.161 9.491 -6.742 1.00 0.00 C ATOM 1222 C VAL A 78 -2.813 9.468 -8.230 1.00 0.00 C ATOM 1223 O VAL A 78 -3.275 8.600 -8.973 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.218 10.568 -6.479 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -3.682 11.931 -6.916 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -5.488 10.241 -7.273 1.00 0.00 C ATOM 0 H VAL A 78 -2.020 10.615 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.557 8.519 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.450 10.595 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.436 12.696 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.779 12.165 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.448 11.906 -7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.241 11.007 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.255 10.213 -8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.873 9.270 -6.960 1.00 0.00 H new ATOM 1236 N CYS A 79 -1.986 10.421 -8.655 1.00 0.00 N ATOM 1237 CA CYS A 79 -1.579 10.490 -10.054 1.00 0.00 C ATOM 1238 C CYS A 79 -0.784 9.236 -10.431 1.00 0.00 C ATOM 1239 O CYS A 79 -1.078 8.565 -11.431 1.00 0.00 O ATOM 1240 CB CYS A 79 -0.712 11.732 -10.275 1.00 0.00 C ATOM 1241 SG CYS A 79 -1.660 13.216 -9.850 1.00 0.00 S ATOM 0 H CYS A 79 -1.590 11.147 -8.058 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.468 10.550 -10.681 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.187 11.674 -9.662 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.387 11.781 -11.314 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.922 14.270 -10.036 1.00 0.00 H new ATOM 1247 N ALA A 80 0.215 8.911 -9.611 1.00 0.00 N ATOM 1248 CA ALA A 80 1.028 7.723 -9.871 1.00 0.00 C ATOM 1249 C ALA A 80 0.159 6.469 -9.817 1.00 0.00 C ATOM 1250 O ALA A 80 0.202 5.631 -10.710 1.00 0.00 O ATOM 1251 CB ALA A 80 2.147 7.622 -8.838 1.00 0.00 C ATOM 0 H ALA A 80 0.477 9.440 -8.779 1.00 0.00 H new ATOM 0 HA ALA A 80 1.466 7.807 -10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.748 6.735 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.778 8.509 -8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.715 7.550 -7.840 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.646 6.356 -8.770 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.522 5.213 -8.614 1.00 0.00 C ATOM 1259 C LEU A 81 -2.322 5.001 -9.886 1.00 0.00 C ATOM 1260 O LEU A 81 -2.519 3.872 -10.315 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.488 5.450 -7.435 1.00 0.00 C ATOM 1262 CG LEU A 81 -3.552 4.340 -7.392 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -2.863 2.977 -7.287 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -4.461 4.550 -6.182 1.00 0.00 C ATOM 0 H LEU A 81 -0.708 7.043 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.918 4.328 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.932 5.468 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.970 6.422 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.150 4.374 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.616 2.190 -7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.217 2.828 -8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.264 2.941 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.215 3.763 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.866 4.517 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.952 5.520 -6.260 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.801 6.085 -10.481 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.587 5.970 -11.700 1.00 0.00 C ATOM 1278 C LEU A 82 -2.754 5.318 -12.804 1.00 0.00 C ATOM 1279 O LEU A 82 -3.191 4.357 -13.452 1.00 0.00 O ATOM 1280 CB LEU A 82 -4.038 7.365 -12.151 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.782 7.273 -13.492 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -5.972 6.311 -13.359 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -5.283 8.664 -13.891 1.00 0.00 C ATOM 0 H LEU A 82 -2.662 7.038 -10.146 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.461 5.349 -11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.688 7.807 -11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.173 8.021 -12.251 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.104 6.898 -14.259 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.497 6.248 -14.312 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.611 5.322 -13.078 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.654 6.679 -12.592 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.811 8.601 -14.842 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.960 9.041 -13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.435 9.341 -13.991 1.00 0.00 H new ATOM 1295 N ASP A 83 -1.550 5.839 -13.005 1.00 0.00 N ATOM 1296 CA ASP A 83 -0.666 5.290 -14.029 1.00 0.00 C ATOM 1297 C ASP A 83 -0.305 3.845 -13.699 1.00 0.00 C ATOM 1298 O ASP A 83 -0.279 2.984 -14.577 1.00 0.00 O ATOM 1299 CB ASP A 83 0.605 6.134 -14.129 1.00 0.00 C ATOM 1300 CG ASP A 83 0.286 7.478 -14.777 1.00 0.00 C ATOM 1301 OD1 ASP A 83 -0.796 7.610 -15.325 1.00 0.00 O ATOM 1302 OD2 ASP A 83 1.132 8.358 -14.718 1.00 0.00 O ATOM 0 H ASP A 83 -1.167 6.627 -12.483 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.186 5.312 -14.987 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.027 6.290 -13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.357 5.607 -14.716 1.00 0.00 H new ATOM 1307 N ARG A 84 -0.027 3.587 -12.429 1.00 0.00 N ATOM 1308 CA ARG A 84 0.332 2.242 -11.991 1.00 0.00 C ATOM 1309 C ARG A 84 -0.846 1.294 -12.157 1.00 0.00 C ATOM 1310 O ARG A 84 -0.681 0.149 -12.574 1.00 0.00 O ATOM 1311 CB ARG A 84 0.779 2.283 -10.515 1.00 0.00 C ATOM 1312 CG ARG A 84 2.297 2.469 -10.430 1.00 0.00 C ATOM 1313 CD ARG A 84 2.690 3.815 -11.042 1.00 0.00 C ATOM 1314 NE ARG A 84 4.137 3.958 -11.048 1.00 0.00 N ATOM 1315 CZ ARG A 84 4.789 4.377 -9.971 1.00 0.00 C ATOM 1316 NH1 ARG A 84 4.130 4.662 -8.881 1.00 0.00 N ATOM 1317 NH2 ARG A 84 6.085 4.505 -10.003 1.00 0.00 N ATOM 0 H ARG A 84 -0.042 4.286 -11.686 1.00 0.00 H new ATOM 0 HA ARG A 84 1.154 1.876 -12.607 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.275 3.099 -9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.489 1.360 -10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.620 2.424 -9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.802 1.659 -10.956 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.306 3.887 -12.059 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.239 4.628 -10.473 1.00 0.00 H new ATOM 0 HE ARG A 84 4.660 3.732 -11.894 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.115 4.562 -8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.630 4.984 -8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.598 4.283 -10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.586 4.827 -9.175 1.00 0.00 H new ATOM 1331 N LEU A 85 -2.027 1.776 -11.823 1.00 0.00 N ATOM 1332 CA LEU A 85 -3.226 0.974 -11.928 1.00 0.00 C ATOM 1333 C LEU A 85 -3.476 0.585 -13.375 1.00 0.00 C ATOM 1334 O LEU A 85 -4.050 -0.468 -13.656 1.00 0.00 O ATOM 1335 CB LEU A 85 -4.426 1.744 -11.382 1.00 0.00 C ATOM 1336 CG LEU A 85 -5.698 0.852 -11.447 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -6.522 1.029 -10.170 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -6.555 1.249 -12.659 1.00 0.00 C ATOM 0 H LEU A 85 -2.180 2.723 -11.476 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.089 0.068 -11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.237 2.049 -10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.579 2.655 -11.961 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.392 -0.190 -11.543 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.412 0.402 -10.221 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.923 0.739 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.819 2.073 -10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.444 0.620 -12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.853 2.293 -12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.976 1.116 -13.573 1.00 0.00 H new ATOM 1350 N ALA A 86 -3.044 1.441 -14.294 1.00 0.00 N ATOM 1351 CA ALA A 86 -3.231 1.176 -15.716 1.00 0.00 C ATOM 1352 C ALA A 86 -2.567 -0.143 -16.105 1.00 0.00 C ATOM 1353 O ALA A 86 -2.608 -0.551 -17.266 1.00 0.00 O ATOM 1354 CB ALA A 86 -2.627 2.316 -16.542 1.00 0.00 C ATOM 0 H ALA A 86 -2.566 2.317 -14.083 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.300 1.107 -15.918 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.770 2.112 -17.603 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.119 3.253 -16.283 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.561 2.395 -16.328 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.960 -0.806 -15.126 1.00 0.00 N ATOM 1361 CA GLY A 87 -1.296 -2.074 -15.378 1.00 0.00 C ATOM 1362 C GLY A 87 -0.499 -2.522 -14.162 1.00 0.00 C ATOM 1363 O GLY A 87 -0.903 -3.441 -13.452 1.00 0.00 O ATOM 0 H GLY A 87 -1.916 -0.487 -14.158 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.037 -2.832 -15.632 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.632 -1.977 -16.237 1.00 0.00 H new ATOM 1367 N ASP A 88 0.635 -1.867 -13.930 1.00 0.00 N ATOM 1368 CA ASP A 88 1.493 -2.209 -12.798 1.00 0.00 C ATOM 1369 C ASP A 88 2.759 -1.357 -12.808 1.00 0.00 C ATOM 1370 O ASP A 88 2.902 -0.433 -12.010 1.00 0.00 O ATOM 1371 CB ASP A 88 1.873 -3.694 -12.859 1.00 0.00 C ATOM 1372 CG ASP A 88 2.276 -4.072 -14.282 1.00 0.00 C ATOM 1373 OD1 ASP A 88 2.236 -3.204 -15.139 1.00 0.00 O ATOM 1374 OD2 ASP A 88 2.618 -5.223 -14.493 1.00 0.00 O ATOM 0 H ASP A 88 0.981 -1.100 -14.507 1.00 0.00 H new ATOM 0 HA ASP A 88 0.944 -2.012 -11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.696 -3.896 -12.173 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.032 -4.307 -12.536 1.00 0.00 H new ATOM 1379 N TYR A 89 3.672 -1.677 -13.713 1.00 0.00 N ATOM 1380 CA TYR A 89 4.921 -0.936 -13.822 1.00 0.00 C ATOM 1381 C TYR A 89 5.879 -1.319 -12.694 1.00 0.00 C ATOM 1382 O TYR A 89 6.894 -1.976 -12.920 1.00 0.00 O ATOM 1383 CB TYR A 89 4.639 0.575 -13.777 1.00 0.00 C ATOM 1384 CG TYR A 89 5.677 1.317 -14.586 1.00 0.00 C ATOM 1385 CD1 TYR A 89 7.009 1.350 -14.153 1.00 0.00 C ATOM 1386 CD2 TYR A 89 5.311 1.963 -15.771 1.00 0.00 C ATOM 1387 CE1 TYR A 89 7.972 2.033 -14.907 1.00 0.00 C ATOM 1388 CE2 TYR A 89 6.272 2.643 -16.524 1.00 0.00 C ATOM 1389 CZ TYR A 89 7.602 2.679 -16.091 1.00 0.00 C ATOM 1390 OH TYR A 89 8.550 3.351 -16.833 1.00 0.00 O ATOM 0 H TYR A 89 3.573 -2.442 -14.381 1.00 0.00 H new ATOM 0 HA TYR A 89 5.389 -1.188 -14.773 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.644 0.780 -14.171 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.651 0.925 -12.745 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.293 0.850 -13.239 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.284 1.936 -16.105 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.999 2.061 -14.574 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.988 3.140 -17.440 1.00 0.00 H new ATOM 0 HH TYR A 89 8.128 3.743 -17.626 1.00 0.00 H new ATOM 1400 N VAL A 90 5.553 -0.892 -11.482 1.00 0.00 N ATOM 1401 CA VAL A 90 6.397 -1.183 -10.337 1.00 0.00 C ATOM 1402 C VAL A 90 6.670 -2.674 -10.248 1.00 0.00 C ATOM 1403 O VAL A 90 5.753 -3.486 -10.336 1.00 0.00 O ATOM 1404 CB VAL A 90 5.709 -0.716 -9.054 1.00 0.00 C ATOM 1405 CG1 VAL A 90 6.593 -1.043 -7.848 1.00 0.00 C ATOM 1406 CG2 VAL A 90 5.474 0.795 -9.119 1.00 0.00 C ATOM 0 H VAL A 90 4.717 -0.348 -11.269 1.00 0.00 H new ATOM 0 HA VAL A 90 7.342 -0.654 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 90 4.752 -1.228 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.101 -0.709 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.758 -2.119 -7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.551 -0.534 -7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.983 1.127 -8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.430 1.308 -9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.841 1.028 -9.975 1.00 0.00 H new ATOM 1416 N TYR A 91 7.945 -3.030 -10.074 1.00 0.00 N ATOM 1417 CA TYR A 91 8.339 -4.438 -9.976 1.00 0.00 C ATOM 1418 C TYR A 91 9.012 -4.697 -8.644 1.00 0.00 C ATOM 1419 O TYR A 91 9.476 -3.768 -7.983 1.00 0.00 O ATOM 1420 CB TYR A 91 9.303 -4.793 -11.107 1.00 0.00 C ATOM 1421 CG TYR A 91 8.720 -4.340 -12.427 1.00 0.00 C ATOM 1422 CD1 TYR A 91 7.526 -4.901 -12.894 1.00 0.00 C ATOM 1423 CD2 TYR A 91 9.372 -3.354 -13.181 1.00 0.00 C ATOM 1424 CE1 TYR A 91 6.983 -4.479 -14.114 1.00 0.00 C ATOM 1425 CE2 TYR A 91 8.832 -2.935 -14.401 1.00 0.00 C ATOM 1426 CZ TYR A 91 7.637 -3.496 -14.869 1.00 0.00 C ATOM 1427 OH TYR A 91 7.104 -3.080 -16.073 1.00 0.00 O ATOM 0 H TYR A 91 8.718 -2.368 -9.998 1.00 0.00 H new ATOM 0 HA TYR A 91 7.445 -5.056 -10.056 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.268 -4.315 -10.940 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.479 -5.869 -11.125 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.023 -5.660 -12.313 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.292 -2.918 -12.819 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.061 -4.911 -14.473 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.337 -2.178 -14.983 1.00 0.00 H new ATOM 0 HH TYR A 91 7.682 -2.393 -16.467 1.00 0.00 H new ATOM 1437 N LEU A 92 9.055 -5.963 -8.251 1.00 0.00 N ATOM 1438 CA LEU A 92 9.676 -6.349 -6.982 1.00 0.00 C ATOM 1439 C LEU A 92 10.764 -7.382 -7.217 1.00 0.00 C ATOM 1440 O LEU A 92 10.527 -8.414 -7.839 1.00 0.00 O ATOM 1441 CB LEU A 92 8.610 -6.914 -6.042 1.00 0.00 C ATOM 1442 CG LEU A 92 9.229 -7.171 -4.652 1.00 0.00 C ATOM 1443 CD1 LEU A 92 8.117 -7.226 -3.601 1.00 0.00 C ATOM 1444 CD2 LEU A 92 10.033 -8.499 -4.646 1.00 0.00 C ATOM 0 H LEU A 92 8.670 -6.741 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 92 10.129 -5.468 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.778 -6.215 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.207 -7.841 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 92 9.914 -6.357 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.553 -7.408 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.580 -6.278 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.425 -8.032 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.461 -8.661 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.369 -9.327 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.834 -8.443 -5.383 1.00 0.00 H new ATOM 1456 N PHE A 93 11.961 -7.097 -6.705 1.00 0.00 N ATOM 1457 CA PHE A 93 13.097 -8.013 -6.856 1.00 0.00 C ATOM 1458 C PHE A 93 13.767 -8.268 -5.513 1.00 0.00 C ATOM 1459 O PHE A 93 13.753 -7.415 -4.627 1.00 0.00 O ATOM 1460 CB PHE A 93 14.112 -7.426 -7.840 1.00 0.00 C ATOM 1461 CG PHE A 93 13.606 -7.586 -9.251 1.00 0.00 C ATOM 1462 CD1 PHE A 93 13.906 -8.748 -9.970 1.00 0.00 C ATOM 1463 CD2 PHE A 93 12.839 -6.575 -9.844 1.00 0.00 C ATOM 1464 CE1 PHE A 93 13.442 -8.903 -11.280 1.00 0.00 C ATOM 1465 CE2 PHE A 93 12.373 -6.730 -11.155 1.00 0.00 C ATOM 1466 CZ PHE A 93 12.675 -7.893 -11.873 1.00 0.00 C ATOM 0 H PHE A 93 12.171 -6.245 -6.185 1.00 0.00 H new ATOM 0 HA PHE A 93 12.726 -8.962 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.277 -6.371 -7.620 1.00 0.00 H new ATOM 0 HB3 PHE A 93 15.073 -7.929 -7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 93 14.497 -9.527 -9.512 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.607 -5.677 -9.291 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.675 -9.801 -11.834 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.780 -5.952 -11.613 1.00 0.00 H new ATOM 0 HZ PHE A 93 12.316 -8.011 -12.885 1.00 0.00 H new ATOM 1476 N ASP A 94 14.355 -9.454 -5.371 1.00 0.00 N ATOM 1477 CA ASP A 94 15.034 -9.821 -4.132 1.00 0.00 C ATOM 1478 C ASP A 94 16.451 -9.256 -4.113 1.00 0.00 C ATOM 1479 O ASP A 94 16.756 -8.300 -4.827 1.00 0.00 O ATOM 1480 CB ASP A 94 15.082 -11.343 -3.995 1.00 0.00 C ATOM 1481 CG ASP A 94 15.860 -11.947 -5.159 1.00 0.00 C ATOM 1482 OD1 ASP A 94 16.485 -11.191 -5.885 1.00 0.00 O ATOM 1483 OD2 ASP A 94 15.815 -13.156 -5.310 1.00 0.00 O ATOM 0 H ASP A 94 14.375 -10.173 -6.094 1.00 0.00 H new ATOM 0 HA ASP A 94 14.478 -9.401 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.553 -11.617 -3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.070 -11.747 -3.975 1.00 0.00 H new ATOM 1488 N GLU A 95 17.310 -9.848 -3.290 1.00 0.00 N ATOM 1489 CA GLU A 95 18.690 -9.390 -3.184 1.00 0.00 C ATOM 1490 C GLU A 95 19.366 -9.414 -4.552 1.00 0.00 C ATOM 1491 O GLU A 95 19.982 -8.432 -4.965 1.00 0.00 O ATOM 1492 CB GLU A 95 19.460 -10.288 -2.215 1.00 0.00 C ATOM 1493 CG GLU A 95 18.931 -10.085 -0.796 1.00 0.00 C ATOM 1494 CD GLU A 95 19.626 -11.044 0.166 1.00 0.00 C ATOM 1495 OE1 GLU A 95 20.499 -11.769 -0.282 1.00 0.00 O ATOM 1496 OE2 GLU A 95 19.278 -11.038 1.333 1.00 0.00 O ATOM 0 H GLU A 95 17.077 -10.640 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 95 18.690 -8.366 -2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 95 19.352 -11.332 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.524 -10.054 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.100 -9.055 -0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.854 -10.252 -0.774 1.00 0.00 H new ATOM 1503 N GLY A 96 19.247 -10.540 -5.247 1.00 0.00 N ATOM 1504 CA GLY A 96 19.852 -10.677 -6.568 1.00 0.00 C ATOM 1505 C GLY A 96 19.025 -9.944 -7.617 1.00 0.00 C ATOM 1506 O GLY A 96 18.931 -8.717 -7.601 1.00 0.00 O ATOM 0 H GLY A 96 18.742 -11.365 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.866 -10.277 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.929 -11.732 -6.831 1.00 0.00 H new ATOM 1510 N GLY A 97 18.425 -10.703 -8.528 1.00 0.00 N ATOM 1511 CA GLY A 97 17.604 -10.112 -9.581 1.00 0.00 C ATOM 1512 C GLY A 97 16.557 -11.101 -10.074 1.00 0.00 C ATOM 1513 O GLY A 97 16.361 -11.259 -11.276 1.00 0.00 O ATOM 0 H GLY A 97 18.490 -11.720 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.113 -9.215 -9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.238 -9.803 -10.412 1.00 0.00 H new ATOM 1517 N ASP A 98 15.884 -11.764 -9.132 1.00 0.00 N ATOM 1518 CA ASP A 98 14.846 -12.740 -9.473 1.00 0.00 C ATOM 1519 C ASP A 98 13.536 -12.389 -8.781 1.00 0.00 C ATOM 1520 O ASP A 98 13.508 -12.120 -7.580 1.00 0.00 O ATOM 1521 CB ASP A 98 15.292 -14.141 -9.054 1.00 0.00 C ATOM 1522 CG ASP A 98 16.407 -14.627 -9.975 1.00 0.00 C ATOM 1523 OD1 ASP A 98 16.628 -13.992 -10.993 1.00 0.00 O ATOM 1524 OD2 ASP A 98 17.018 -15.630 -9.650 1.00 0.00 O ATOM 0 H ASP A 98 16.038 -11.644 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 98 14.689 -12.718 -10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 98 15.641 -14.128 -8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.448 -14.829 -9.096 1.00 0.00 H new ATOM 1529 N GLU A 99 12.452 -12.384 -9.548 1.00 0.00 N ATOM 1530 CA GLU A 99 11.146 -12.052 -9.000 1.00 0.00 C ATOM 1531 C GLU A 99 10.654 -13.157 -8.074 1.00 0.00 C ATOM 1532 O GLU A 99 9.974 -14.089 -8.506 1.00 0.00 O ATOM 1533 CB GLU A 99 10.138 -11.859 -10.136 1.00 0.00 C ATOM 1534 CG GLU A 99 10.622 -10.745 -11.084 1.00 0.00 C ATOM 1535 CD GLU A 99 11.553 -11.324 -12.147 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.918 -12.483 -12.024 1.00 0.00 O ATOM 1537 OE2 GLU A 99 11.874 -10.605 -13.079 1.00 0.00 O ATOM 0 H GLU A 99 12.452 -12.605 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 99 11.239 -11.128 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.017 -12.791 -10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.161 -11.601 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.767 -10.266 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.142 -9.974 -10.515 1.00 0.00 H new ATOM 1544 N VAL A 100 11.000 -13.045 -6.796 1.00 0.00 N ATOM 1545 CA VAL A 100 10.587 -14.036 -5.809 1.00 0.00 C ATOM 1546 C VAL A 100 10.628 -13.452 -4.402 1.00 0.00 C ATOM 1547 O VAL A 100 11.478 -12.618 -4.094 1.00 0.00 O ATOM 1548 CB VAL A 100 11.505 -15.256 -5.884 1.00 0.00 C ATOM 1549 CG1 VAL A 100 12.883 -14.906 -5.310 1.00 0.00 C ATOM 1550 CG2 VAL A 100 10.892 -16.404 -5.074 1.00 0.00 C ATOM 0 H VAL A 100 11.563 -12.282 -6.421 1.00 0.00 H new ATOM 0 HA VAL A 100 9.562 -14.334 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 100 11.616 -15.559 -6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 100 13.533 -15.779 -5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 100 13.321 -14.090 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 100 12.776 -14.599 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.545 -17.275 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 100 10.780 -16.096 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.915 -16.658 -5.485 1.00 0.00 H new ATOM 1560 N ILE A 101 9.712 -13.896 -3.555 1.00 0.00 N ATOM 1561 CA ILE A 101 9.657 -13.402 -2.184 1.00 0.00 C ATOM 1562 C ILE A 101 10.803 -13.982 -1.375 1.00 0.00 C ATOM 1563 O ILE A 101 11.017 -15.195 -1.362 1.00 0.00 O ATOM 1564 CB ILE A 101 8.326 -13.798 -1.542 1.00 0.00 C ATOM 1565 CG1 ILE A 101 7.184 -13.519 -2.524 1.00 0.00 C ATOM 1566 CG2 ILE A 101 8.111 -12.981 -0.265 1.00 0.00 C ATOM 1567 CD1 ILE A 101 7.298 -12.093 -3.066 1.00 0.00 C ATOM 0 H ILE A 101 9.002 -14.591 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 101 9.743 -12.315 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 101 8.343 -14.860 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.218 -14.233 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.224 -13.652 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.163 -13.263 0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.924 -13.178 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.093 -11.919 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.482 -11.903 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.242 -11.384 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.251 -11.975 -3.581 1.00 0.00 H new ATOM 1579 N ALA A 102 11.542 -13.108 -0.697 1.00 0.00 N ATOM 1580 CA ALA A 102 12.673 -13.548 0.113 1.00 0.00 C ATOM 1581 C ALA A 102 12.805 -12.685 1.370 1.00 0.00 C ATOM 1582 O ALA A 102 12.136 -11.657 1.502 1.00 0.00 O ATOM 1583 CB ALA A 102 13.971 -13.477 -0.726 1.00 0.00 C ATOM 0 H ALA A 102 11.380 -12.101 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 102 12.503 -14.578 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 102 14.815 -13.806 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.877 -14.124 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 102 14.137 -12.451 -1.053 1.00 0.00 H new ATOM 1589 N PRO A 103 13.667 -13.076 2.274 1.00 0.00 N ATOM 1590 CA PRO A 103 13.903 -12.320 3.537 1.00 0.00 C ATOM 1591 C PRO A 103 14.144 -10.834 3.276 1.00 0.00 C ATOM 1592 O PRO A 103 13.714 -9.986 4.055 1.00 0.00 O ATOM 1593 CB PRO A 103 15.163 -12.980 4.122 1.00 0.00 C ATOM 1594 CG PRO A 103 15.158 -14.375 3.580 1.00 0.00 C ATOM 1595 CD PRO A 103 14.504 -14.294 2.203 1.00 0.00 C ATOM 0 HA PRO A 103 13.044 -12.358 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.064 -12.444 3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.139 -12.980 5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.172 -14.768 3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.603 -15.046 4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 103 15.249 -14.220 1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.903 -15.179 1.994 1.00 0.00 H new ATOM 1603 N ARG A 104 14.835 -10.528 2.180 1.00 0.00 N ATOM 1604 CA ARG A 104 15.132 -9.136 1.825 1.00 0.00 C ATOM 1605 C ARG A 104 14.778 -8.866 0.374 1.00 0.00 C ATOM 1606 O ARG A 104 15.148 -9.626 -0.520 1.00 0.00 O ATOM 1607 CB ARG A 104 16.616 -8.861 2.049 1.00 0.00 C ATOM 1608 CG ARG A 104 16.933 -8.889 3.572 1.00 0.00 C ATOM 1609 CD ARG A 104 18.137 -9.791 3.833 1.00 0.00 C ATOM 1610 NE ARG A 104 18.439 -9.824 5.256 1.00 0.00 N ATOM 1611 CZ ARG A 104 19.201 -8.896 5.816 1.00 0.00 C ATOM 1612 NH1 ARG A 104 19.692 -7.926 5.090 1.00 0.00 N ATOM 1613 NH2 ARG A 104 19.456 -8.948 7.094 1.00 0.00 N ATOM 0 H ARG A 104 15.199 -11.219 1.524 1.00 0.00 H new ATOM 0 HA ARG A 104 14.534 -8.478 2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 104 17.216 -9.608 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.883 -7.891 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 104 17.139 -7.880 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 104 16.068 -9.252 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 104 17.930 -10.799 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 104 19.001 -9.426 3.278 1.00 0.00 H new ATOM 0 HE ARG A 104 18.058 -10.574 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 104 19.489 -7.883 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 104 20.278 -7.212 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.069 -9.702 7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 104 20.042 -8.234 7.526 1.00 0.00 H new ATOM 1627 N MET A 105 14.055 -7.778 0.149 1.00 0.00 N ATOM 1628 CA MET A 105 13.648 -7.412 -1.200 1.00 0.00 C ATOM 1629 C MET A 105 13.225 -5.952 -1.248 1.00 0.00 C ATOM 1630 O MET A 105 13.034 -5.317 -0.214 1.00 0.00 O ATOM 1631 CB MET A 105 12.481 -8.298 -1.648 1.00 0.00 C ATOM 1632 CG MET A 105 11.316 -8.169 -0.658 1.00 0.00 C ATOM 1633 SD MET A 105 10.371 -6.672 -1.031 1.00 0.00 S ATOM 1634 CE MET A 105 9.303 -6.712 0.426 1.00 0.00 C ATOM 0 H MET A 105 13.740 -7.137 0.878 1.00 0.00 H new ATOM 0 HA MET A 105 14.495 -7.557 -1.871 1.00 0.00 H new ATOM 0 HB2 MET A 105 12.155 -8.007 -2.646 1.00 0.00 H new ATOM 0 HB3 MET A 105 12.805 -9.337 -1.709 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.671 -9.045 -0.723 1.00 0.00 H new ATOM 0 HG3 MET A 105 11.695 -8.128 0.363 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.623 -5.860 0.402 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.726 -7.637 0.429 1.00 0.00 H new ATOM 0 HE3 MET A 105 9.915 -6.663 1.327 1.00 0.00 H new ATOM 1644 N TYR A 106 13.071 -5.424 -2.461 1.00 0.00 N ATOM 1645 CA TYR A 106 12.660 -4.033 -2.637 1.00 0.00 C ATOM 1646 C TYR A 106 11.655 -3.924 -3.777 1.00 0.00 C ATOM 1647 O TYR A 106 11.777 -4.615 -4.797 1.00 0.00 O ATOM 1648 CB TYR A 106 13.882 -3.166 -2.943 1.00 0.00 C ATOM 1649 CG TYR A 106 14.450 -3.548 -4.290 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.301 -4.654 -4.403 1.00 0.00 C ATOM 1651 CD2 TYR A 106 14.122 -2.796 -5.425 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.825 -5.006 -5.653 1.00 0.00 C ATOM 1653 CE2 TYR A 106 14.648 -3.150 -6.676 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.497 -4.255 -6.788 1.00 0.00 C ATOM 1655 OH TYR A 106 16.015 -4.605 -8.018 1.00 0.00 O ATOM 0 H TYR A 106 13.223 -5.934 -3.331 1.00 0.00 H new ATOM 0 HA TYR A 106 12.192 -3.684 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 106 13.603 -2.112 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.637 -3.298 -2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.553 -5.235 -3.528 1.00 0.00 H new ATOM 0 HD2 TYR A 106 13.464 -1.944 -5.337 1.00 0.00 H new ATOM 0 HE1 TYR A 106 16.483 -5.858 -5.742 1.00 0.00 H new ATOM 0 HE2 TYR A 106 14.397 -2.570 -7.552 1.00 0.00 H new ATOM 0 HH TYR A 106 15.688 -3.982 -8.700 1.00 0.00 H new ATOM 1665 N CYS A 107 10.662 -3.047 -3.598 1.00 0.00 N ATOM 1666 CA CYS A 107 9.631 -2.832 -4.613 1.00 0.00 C ATOM 1667 C CYS A 107 9.724 -1.423 -5.179 1.00 0.00 C ATOM 1668 O CYS A 107 9.490 -0.440 -4.480 1.00 0.00 O ATOM 1669 CB CYS A 107 8.246 -3.056 -4.004 1.00 0.00 C ATOM 1670 SG CYS A 107 7.048 -3.319 -5.334 1.00 0.00 S ATOM 0 H CYS A 107 10.552 -2.476 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 107 9.788 -3.544 -5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.263 -3.919 -3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 107 7.956 -2.195 -3.402 1.00 0.00 H new ATOM 0 HG CYS A 107 7.679 -3.576 -6.442 1.00 0.00 H new ATOM 1676 N SER A 108 10.078 -1.338 -6.454 1.00 0.00 N ATOM 1677 CA SER A 108 10.208 -0.042 -7.115 1.00 0.00 C ATOM 1678 C SER A 108 10.188 -0.201 -8.634 1.00 0.00 C ATOM 1679 O SER A 108 10.246 -1.316 -9.151 1.00 0.00 O ATOM 1680 CB SER A 108 11.511 0.638 -6.689 1.00 0.00 C ATOM 1681 OG SER A 108 12.614 -0.116 -7.173 1.00 0.00 O ATOM 0 H SER A 108 10.279 -2.142 -7.049 1.00 0.00 H new ATOM 0 HA SER A 108 9.361 0.576 -6.817 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.550 1.654 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.557 0.714 -5.603 1.00 0.00 H new ATOM 0 HG SER A 108 13.450 0.318 -6.903 1.00 0.00 H new ATOM 1687 N PHE A 109 10.110 0.923 -9.339 1.00 0.00 N ATOM 1688 CA PHE A 109 10.094 0.900 -10.798 1.00 0.00 C ATOM 1689 C PHE A 109 11.429 0.416 -11.347 1.00 0.00 C ATOM 1690 O PHE A 109 11.475 -0.356 -12.306 1.00 0.00 O ATOM 1691 CB PHE A 109 9.797 2.297 -11.340 1.00 0.00 C ATOM 1692 CG PHE A 109 10.798 3.278 -10.781 1.00 0.00 C ATOM 1693 CD1 PHE A 109 12.004 3.512 -11.456 1.00 0.00 C ATOM 1694 CD2 PHE A 109 10.523 3.953 -9.586 1.00 0.00 C ATOM 1695 CE1 PHE A 109 12.930 4.421 -10.934 1.00 0.00 C ATOM 1696 CE2 PHE A 109 11.450 4.862 -9.066 1.00 0.00 C ATOM 1697 CZ PHE A 109 12.656 5.096 -9.740 1.00 0.00 C ATOM 0 H PHE A 109 10.057 1.855 -8.928 1.00 0.00 H new ATOM 0 HA PHE A 109 9.313 0.210 -11.118 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.845 2.294 -12.429 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.786 2.597 -11.066 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.218 2.991 -12.378 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.594 3.772 -9.065 1.00 0.00 H new ATOM 0 HE1 PHE A 109 13.859 4.602 -11.454 1.00 0.00 H new ATOM 0 HE2 PHE A 109 11.236 5.384 -8.145 1.00 0.00 H new ATOM 0 HZ PHE A 109 13.373 5.797 -9.338 1.00 0.00 H new ATOM 1707 N SER A 110 12.516 0.875 -10.737 1.00 0.00 N ATOM 1708 CA SER A 110 13.851 0.490 -11.179 1.00 0.00 C ATOM 1709 C SER A 110 13.987 -1.022 -11.205 1.00 0.00 C ATOM 1710 O SER A 110 13.356 -1.724 -10.414 1.00 0.00 O ATOM 1711 CB SER A 110 14.903 1.074 -10.243 1.00 0.00 C ATOM 1712 OG SER A 110 16.184 0.978 -10.852 1.00 0.00 O ATOM 0 H SER A 110 12.500 1.511 -9.939 1.00 0.00 H new ATOM 0 HA SER A 110 14.003 0.880 -12.185 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.671 2.116 -10.022 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.899 0.538 -9.294 1.00 0.00 H new ATOM 0 HG SER A 110 16.496 1.873 -11.101 1.00 0.00 H new ATOM 1718 N ALA A 111 14.807 -1.521 -12.127 1.00 0.00 N ATOM 1719 CA ALA A 111 15.014 -2.961 -12.261 1.00 0.00 C ATOM 1720 C ALA A 111 16.370 -3.364 -11.677 1.00 0.00 C ATOM 1721 O ALA A 111 17.202 -2.509 -11.359 1.00 0.00 O ATOM 1722 CB ALA A 111 14.935 -3.367 -13.749 1.00 0.00 C ATOM 0 H ALA A 111 15.336 -0.953 -12.789 1.00 0.00 H new ATOM 0 HA ALA A 111 14.231 -3.480 -11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.090 -4.442 -13.842 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.954 -3.107 -14.146 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.705 -2.839 -14.311 1.00 0.00 H new ATOM 1728 N PRO A 112 16.607 -4.644 -11.553 1.00 0.00 N ATOM 1729 CA PRO A 112 17.892 -5.172 -11.009 1.00 0.00 C ATOM 1730 C PRO A 112 19.106 -4.564 -11.719 1.00 0.00 C ATOM 1731 O PRO A 112 20.111 -4.245 -11.083 1.00 0.00 O ATOM 1732 CB PRO A 112 17.805 -6.684 -11.281 1.00 0.00 C ATOM 1733 CG PRO A 112 16.343 -6.985 -11.353 1.00 0.00 C ATOM 1734 CD PRO A 112 15.672 -5.730 -11.905 1.00 0.00 C ATOM 0 HA PRO A 112 18.024 -4.929 -9.955 1.00 0.00 H new ATOM 0 HB2 PRO A 112 18.307 -6.946 -12.212 1.00 0.00 H new ATOM 0 HB3 PRO A 112 18.286 -7.255 -10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 112 16.154 -7.842 -11.999 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.949 -7.235 -10.368 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.525 -5.797 -12.983 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.690 -5.572 -11.458 1.00 0.00 H new ATOM 1742 N ASP A 113 19.005 -4.410 -13.035 1.00 0.00 N ATOM 1743 CA ASP A 113 20.100 -3.842 -13.813 1.00 0.00 C ATOM 1744 C ASP A 113 20.078 -2.319 -13.730 1.00 0.00 C ATOM 1745 O ASP A 113 20.394 -1.630 -14.700 1.00 0.00 O ATOM 1746 CB ASP A 113 19.984 -4.278 -15.275 1.00 0.00 C ATOM 1747 CG ASP A 113 18.671 -3.775 -15.869 1.00 0.00 C ATOM 1748 OD1 ASP A 113 18.023 -2.967 -15.222 1.00 0.00 O ATOM 1749 OD2 ASP A 113 18.332 -4.205 -16.958 1.00 0.00 O ATOM 0 H ASP A 113 18.183 -4.668 -13.582 1.00 0.00 H new ATOM 0 HA ASP A 113 21.042 -4.205 -13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 113 20.825 -3.886 -15.847 1.00 0.00 H new ATOM 0 HB3 ASP A 113 20.031 -5.365 -15.343 1.00 0.00 H new ATOM 1754 N ASP A 114 19.700 -1.801 -12.566 1.00 0.00 N ATOM 1755 CA ASP A 114 19.637 -0.358 -12.367 1.00 0.00 C ATOM 1756 C ASP A 114 20.955 0.296 -12.772 1.00 0.00 C ATOM 1757 O ASP A 114 21.962 -0.394 -12.770 1.00 0.00 O ATOM 1758 CB ASP A 114 19.339 -0.044 -10.899 1.00 0.00 C ATOM 1759 CG ASP A 114 19.201 1.462 -10.707 1.00 0.00 C ATOM 1760 OD1 ASP A 114 19.457 2.187 -11.655 1.00 0.00 O ATOM 1761 OD2 ASP A 114 18.846 1.868 -9.614 1.00 0.00 O ATOM 0 H ASP A 114 19.434 -2.355 -11.751 1.00 0.00 H new ATOM 0 HA ASP A 114 18.838 0.041 -12.992 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.421 -0.544 -10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 114 20.139 -0.428 -10.266 1.00 0.00 H new