USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 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 Set 1.1: A 106 TYR OH : rot 180:sc= -0.435 USER MOD Set 1.2: A 108 SER OG : rot 180:sc=-0.00142 USER MOD Single : A 18 THR OG1 : rot -28:sc= 0.0237 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 45:sc= 0.702 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 160:sc= -0.845 USER MOD Single : A 37 LYS NZ :NH3+ -120:sc= -0.807 (180deg=-2.6!) USER MOD Single : A 39 CYS SG : rot 100:sc= 0.237! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -0.134 (180deg=-0.809) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 63 SER OG : rot 89:sc= 1.32 USER MOD Single : A 64 THR OG1 : rot 82:sc= 0.558 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -70:sc= 0.247 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= -0.0959 X(o=-0.096,f=-0.44) USER MOD Single : A 76 THR OG1 : rot 51:sc= -0.0112 USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.629) USER MOD Single : A 79 CYS SG : rot 180:sc= -0.292 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 173:sc= -1.81! (180deg=-2!) USER MOD Single : A 107 CYS SG : rot 180:sc= -1.73! USER MOD Single : A 110 SER OG : rot 27:sc= 0.39 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 2.543 -22.232 7.278 1.00 0.00 N ATOM 293 CA THR A 18 2.608 -20.980 6.520 1.00 0.00 C ATOM 294 C THR A 18 3.678 -20.066 7.101 1.00 0.00 C ATOM 295 O THR A 18 4.199 -20.320 8.190 1.00 0.00 O ATOM 296 CB THR A 18 1.251 -20.273 6.565 1.00 0.00 C ATOM 297 OG1 THR A 18 0.974 -19.859 7.896 1.00 0.00 O ATOM 298 CG2 THR A 18 0.161 -21.237 6.092 1.00 0.00 C ATOM 0 HA THR A 18 2.862 -21.211 5.486 1.00 0.00 H new ATOM 0 HB THR A 18 1.274 -19.400 5.913 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.425 -20.459 8.526 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.806 -20.736 6.123 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.373 -21.553 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.139 -22.110 6.745 1.00 0.00 H new ATOM 306 N ARG A 19 4.005 -19.004 6.370 1.00 0.00 N ATOM 307 CA ARG A 19 5.023 -18.047 6.812 1.00 0.00 C ATOM 308 C ARG A 19 4.452 -16.638 6.820 1.00 0.00 C ATOM 309 O ARG A 19 3.325 -16.413 6.374 1.00 0.00 O ATOM 310 CB ARG A 19 6.233 -18.106 5.882 1.00 0.00 C ATOM 311 CG ARG A 19 6.950 -19.441 6.069 1.00 0.00 C ATOM 312 CD ARG A 19 8.135 -19.520 5.110 1.00 0.00 C ATOM 313 NE ARG A 19 8.815 -20.801 5.252 1.00 0.00 N ATOM 314 CZ ARG A 19 9.835 -21.126 4.467 1.00 0.00 C ATOM 315 NH1 ARG A 19 10.249 -20.292 3.555 1.00 0.00 N ATOM 316 NH2 ARG A 19 10.425 -22.281 4.610 1.00 0.00 N ATOM 0 H ARG A 19 3.582 -18.782 5.469 1.00 0.00 H new ATOM 0 HA ARG A 19 5.334 -18.310 7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.915 -17.993 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.913 -17.282 6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.294 -19.540 7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.262 -20.265 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.790 -19.395 4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.831 -18.706 5.313 1.00 0.00 H new ATOM 0 HE ARG A 19 8.502 -21.459 5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.789 -19.388 3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.033 -20.543 2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.102 -22.933 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.209 -22.531 4.007 1.00 0.00 H new ATOM 330 N LYS A 20 5.232 -15.685 7.330 1.00 0.00 N ATOM 331 CA LYS A 20 4.788 -14.293 7.388 1.00 0.00 C ATOM 332 C LYS A 20 5.972 -13.356 7.162 1.00 0.00 C ATOM 333 O LYS A 20 7.089 -13.635 7.600 1.00 0.00 O ATOM 334 CB LYS A 20 4.158 -14.007 8.749 1.00 0.00 C ATOM 335 CG LYS A 20 3.043 -15.019 9.022 1.00 0.00 C ATOM 336 CD LYS A 20 2.326 -14.653 10.320 1.00 0.00 C ATOM 337 CE LYS A 20 1.211 -15.664 10.583 1.00 0.00 C ATOM 338 NZ LYS A 20 0.504 -15.305 11.844 1.00 0.00 N ATOM 0 H LYS A 20 6.166 -15.849 7.706 1.00 0.00 H new ATOM 0 HA LYS A 20 4.047 -14.125 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.915 -14.065 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.756 -12.994 8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.335 -15.028 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.460 -16.024 9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.032 -14.649 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.912 -13.647 10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.509 -15.672 9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.627 -16.669 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.255 -15.993 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.178 -15.318 12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.095 -14.353 11.754 1.00 0.00 H new ATOM 352 N ILE A 21 5.717 -12.240 6.479 1.00 0.00 N ATOM 353 CA ILE A 21 6.763 -11.252 6.192 1.00 0.00 C ATOM 354 C ILE A 21 6.252 -9.840 6.435 1.00 0.00 C ATOM 355 O ILE A 21 5.076 -9.547 6.214 1.00 0.00 O ATOM 356 CB ILE A 21 7.228 -11.391 4.740 1.00 0.00 C ATOM 357 CG1 ILE A 21 6.041 -11.178 3.795 1.00 0.00 C ATOM 358 CG2 ILE A 21 7.814 -12.790 4.529 1.00 0.00 C ATOM 359 CD1 ILE A 21 6.536 -11.159 2.351 1.00 0.00 C ATOM 0 H ILE A 21 4.797 -11.995 6.113 1.00 0.00 H new ATOM 0 HA ILE A 21 7.603 -11.437 6.861 1.00 0.00 H new ATOM 0 HB ILE A 21 7.991 -10.642 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.309 -11.974 3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.539 -10.240 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.146 -12.893 3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.661 -12.934 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.052 -13.540 4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.691 -11.007 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.252 -10.347 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.018 -12.109 2.119 1.00 0.00 H new ATOM 371 N LYS A 22 7.146 -8.964 6.880 1.00 0.00 N ATOM 372 CA LYS A 22 6.789 -7.571 7.140 1.00 0.00 C ATOM 373 C LYS A 22 7.369 -6.679 6.058 1.00 0.00 C ATOM 374 O LYS A 22 8.580 -6.662 5.828 1.00 0.00 O ATOM 375 CB LYS A 22 7.317 -7.150 8.506 1.00 0.00 C ATOM 376 CG LYS A 22 8.849 -7.215 8.521 1.00 0.00 C ATOM 377 CD LYS A 22 9.347 -7.257 9.968 1.00 0.00 C ATOM 378 CE LYS A 22 8.888 -5.995 10.698 1.00 0.00 C ATOM 379 NZ LYS A 22 9.623 -5.876 11.988 1.00 0.00 N ATOM 0 H LYS A 22 8.122 -9.192 7.069 1.00 0.00 H new ATOM 0 HA LYS A 22 5.704 -7.472 7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.986 -6.137 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.910 -7.802 9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.191 -8.099 7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.265 -6.348 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.961 -8.143 10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.435 -7.327 9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.072 -5.116 10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.814 -6.037 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.312 -5.018 12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.426 -6.710 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.644 -5.817 11.801 1.00 0.00 H new ATOM 393 N ILE A 23 6.495 -5.953 5.363 1.00 0.00 N ATOM 394 CA ILE A 23 6.937 -5.082 4.279 1.00 0.00 C ATOM 395 C ILE A 23 7.150 -3.666 4.797 1.00 0.00 C ATOM 396 O ILE A 23 6.206 -3.007 5.236 1.00 0.00 O ATOM 397 CB ILE A 23 5.878 -5.069 3.167 1.00 0.00 C ATOM 398 CG1 ILE A 23 5.274 -6.474 3.012 1.00 0.00 C ATOM 399 CG2 ILE A 23 6.522 -4.644 1.841 1.00 0.00 C ATOM 400 CD1 ILE A 23 6.377 -7.535 2.910 1.00 0.00 C ATOM 0 H ILE A 23 5.489 -5.951 5.529 1.00 0.00 H new ATOM 0 HA ILE A 23 7.879 -5.459 3.882 1.00 0.00 H new ATOM 0 HB ILE A 23 5.092 -4.361 3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.630 -6.694 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.647 -6.509 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.766 -4.636 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.946 -3.645 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.312 -5.348 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.925 -8.521 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.004 -7.326 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.987 -7.514 3.813 1.00 0.00 H new ATOM 412 N THR A 24 8.395 -3.209 4.744 1.00 0.00 N ATOM 413 CA THR A 24 8.739 -1.866 5.208 1.00 0.00 C ATOM 414 C THR A 24 9.509 -1.114 4.134 1.00 0.00 C ATOM 415 O THR A 24 10.713 -1.312 3.966 1.00 0.00 O ATOM 416 CB THR A 24 9.588 -1.961 6.478 1.00 0.00 C ATOM 417 OG1 THR A 24 10.706 -2.804 6.236 1.00 0.00 O ATOM 418 CG2 THR A 24 8.744 -2.540 7.614 1.00 0.00 C ATOM 0 H THR A 24 9.184 -3.746 4.385 1.00 0.00 H new ATOM 0 HA THR A 24 7.818 -1.324 5.424 1.00 0.00 H new ATOM 0 HB THR A 24 9.937 -0.967 6.759 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.109 -2.574 5.373 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.349 -2.608 8.518 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.887 -1.892 7.798 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.394 -3.534 7.337 1.00 0.00 H new ATOM 426 N PHE A 25 8.809 -0.244 3.416 1.00 0.00 N ATOM 427 CA PHE A 25 9.440 0.546 2.366 1.00 0.00 C ATOM 428 C PHE A 25 8.596 1.778 2.056 1.00 0.00 C ATOM 429 O PHE A 25 7.526 1.673 1.457 1.00 0.00 O ATOM 430 CB PHE A 25 9.600 -0.305 1.099 1.00 0.00 C ATOM 431 CG PHE A 25 10.646 0.315 0.198 1.00 0.00 C ATOM 432 CD1 PHE A 25 10.354 1.487 -0.511 1.00 0.00 C ATOM 433 CD2 PHE A 25 11.912 -0.274 0.080 1.00 0.00 C ATOM 434 CE1 PHE A 25 11.326 2.067 -1.337 1.00 0.00 C ATOM 435 CE2 PHE A 25 12.881 0.305 -0.745 1.00 0.00 C ATOM 436 CZ PHE A 25 12.589 1.475 -1.453 1.00 0.00 C ATOM 0 H PHE A 25 7.812 -0.068 3.540 1.00 0.00 H new ATOM 0 HA PHE A 25 10.423 0.868 2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.892 -1.321 1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.648 -0.374 0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.380 1.944 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 25 12.140 -1.177 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.101 2.971 -1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 25 13.856 -0.152 -0.836 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.338 1.922 -2.090 1.00 0.00 H new ATOM 446 N ALA A 26 9.082 2.946 2.473 1.00 0.00 N ATOM 447 CA ALA A 26 8.362 4.202 2.240 1.00 0.00 C ATOM 448 C ALA A 26 9.309 5.280 1.729 1.00 0.00 C ATOM 449 O ALA A 26 10.447 5.390 2.185 1.00 0.00 O ATOM 450 CB ALA A 26 7.710 4.667 3.542 1.00 0.00 C ATOM 0 H ALA A 26 9.966 3.051 2.971 1.00 0.00 H new ATOM 0 HA ALA A 26 7.595 4.028 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.175 5.601 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.010 3.907 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.479 4.825 4.298 1.00 0.00 H new ATOM 456 N LEU A 27 8.824 6.076 0.785 1.00 0.00 N ATOM 457 CA LEU A 27 9.626 7.154 0.219 1.00 0.00 C ATOM 458 C LEU A 27 9.762 8.311 1.207 1.00 0.00 C ATOM 459 O LEU A 27 10.833 8.903 1.340 1.00 0.00 O ATOM 460 CB LEU A 27 8.988 7.648 -1.089 1.00 0.00 C ATOM 461 CG LEU A 27 9.399 6.727 -2.240 1.00 0.00 C ATOM 462 CD1 LEU A 27 8.947 5.296 -1.934 1.00 0.00 C ATOM 463 CD2 LEU A 27 8.742 7.209 -3.533 1.00 0.00 C ATOM 0 H LEU A 27 7.884 5.997 0.396 1.00 0.00 H new ATOM 0 HA LEU A 27 10.623 6.768 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.902 7.664 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.305 8.670 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 27 10.483 6.746 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.239 4.639 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.416 4.956 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.863 5.273 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.033 6.555 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.658 7.189 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.066 8.227 -3.748 1.00 0.00 H new ATOM 475 N ASP A 28 8.662 8.634 1.889 1.00 0.00 N ATOM 476 CA ASP A 28 8.651 9.734 2.856 1.00 0.00 C ATOM 477 C ASP A 28 8.117 9.261 4.200 1.00 0.00 C ATOM 478 O ASP A 28 7.822 8.078 4.384 1.00 0.00 O ATOM 479 CB ASP A 28 7.775 10.874 2.330 1.00 0.00 C ATOM 480 CG ASP A 28 8.466 11.566 1.160 1.00 0.00 C ATOM 481 OD1 ASP A 28 9.618 11.252 0.909 1.00 0.00 O ATOM 482 OD2 ASP A 28 7.836 12.401 0.533 1.00 0.00 O ATOM 0 H ASP A 28 7.769 8.151 1.790 1.00 0.00 H new ATOM 0 HA ASP A 28 9.673 10.088 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.808 10.484 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.583 11.593 3.126 1.00 0.00 H new ATOM 487 N ALA A 29 7.998 10.191 5.140 1.00 0.00 N ATOM 488 CA ALA A 29 7.500 9.865 6.471 1.00 0.00 C ATOM 489 C ALA A 29 6.028 9.464 6.419 1.00 0.00 C ATOM 490 O ALA A 29 5.584 8.583 7.153 1.00 0.00 O ATOM 491 CB ALA A 29 7.668 11.068 7.399 1.00 0.00 C ATOM 0 H ALA A 29 8.238 11.173 5.006 1.00 0.00 H new ATOM 0 HA ALA A 29 8.077 9.023 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.294 10.817 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.724 11.332 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.107 11.914 7.003 1.00 0.00 H new ATOM 497 N THR A 30 5.270 10.130 5.555 1.00 0.00 N ATOM 498 CA THR A 30 3.845 9.840 5.431 1.00 0.00 C ATOM 499 C THR A 30 3.631 8.381 5.054 1.00 0.00 C ATOM 500 O THR A 30 2.886 7.658 5.712 1.00 0.00 O ATOM 501 CB THR A 30 3.220 10.743 4.355 1.00 0.00 C ATOM 502 OG1 THR A 30 3.216 10.061 3.108 1.00 0.00 O ATOM 503 CG2 THR A 30 4.033 12.032 4.214 1.00 0.00 C ATOM 0 H THR A 30 5.612 10.866 4.937 1.00 0.00 H new ATOM 0 HA THR A 30 3.367 10.032 6.392 1.00 0.00 H new ATOM 0 HB THR A 30 2.200 10.989 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.817 10.636 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.582 12.665 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.041 12.563 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.055 11.788 3.926 1.00 0.00 H new ATOM 511 N PHE A 31 4.296 7.952 3.991 1.00 0.00 N ATOM 512 CA PHE A 31 4.168 6.578 3.542 1.00 0.00 C ATOM 513 C PHE A 31 4.827 5.628 4.538 1.00 0.00 C ATOM 514 O PHE A 31 4.637 4.419 4.480 1.00 0.00 O ATOM 515 CB PHE A 31 4.821 6.415 2.165 1.00 0.00 C ATOM 516 CG PHE A 31 3.992 7.121 1.119 1.00 0.00 C ATOM 517 CD1 PHE A 31 2.955 6.441 0.467 1.00 0.00 C ATOM 518 CD2 PHE A 31 4.261 8.455 0.800 1.00 0.00 C ATOM 519 CE1 PHE A 31 2.190 7.099 -0.503 1.00 0.00 C ATOM 520 CE2 PHE A 31 3.497 9.112 -0.169 1.00 0.00 C ATOM 521 CZ PHE A 31 2.462 8.435 -0.821 1.00 0.00 C ATOM 0 H PHE A 31 4.922 8.530 3.430 1.00 0.00 H new ATOM 0 HA PHE A 31 3.108 6.334 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.831 6.826 2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.911 5.357 1.918 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.746 5.410 0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.060 8.979 1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.390 6.576 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.706 10.143 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.872 8.943 -1.570 1.00 0.00 H new ATOM 531 N ASP A 32 5.583 6.192 5.468 1.00 0.00 N ATOM 532 CA ASP A 32 6.258 5.380 6.479 1.00 0.00 C ATOM 533 C ASP A 32 5.276 4.946 7.563 1.00 0.00 C ATOM 534 O ASP A 32 5.126 3.754 7.843 1.00 0.00 O ATOM 535 CB ASP A 32 7.406 6.174 7.105 1.00 0.00 C ATOM 536 CG ASP A 32 8.372 5.233 7.818 1.00 0.00 C ATOM 537 OD1 ASP A 32 8.029 4.072 7.975 1.00 0.00 O ATOM 538 OD2 ASP A 32 9.441 5.686 8.191 1.00 0.00 O ATOM 0 H ASP A 32 5.746 7.196 5.547 1.00 0.00 H new ATOM 0 HA ASP A 32 6.658 4.489 5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.935 6.732 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.010 6.904 7.811 1.00 0.00 H new ATOM 543 N SER A 33 4.602 5.920 8.164 1.00 0.00 N ATOM 544 CA SER A 33 3.634 5.625 9.210 1.00 0.00 C ATOM 545 C SER A 33 2.404 4.939 8.634 1.00 0.00 C ATOM 546 O SER A 33 1.804 4.078 9.277 1.00 0.00 O ATOM 547 CB SER A 33 3.220 6.915 9.920 1.00 0.00 C ATOM 548 OG SER A 33 2.689 7.824 8.968 1.00 0.00 O ATOM 0 H SER A 33 4.707 6.911 7.947 1.00 0.00 H new ATOM 0 HA SER A 33 4.103 4.951 9.927 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.477 6.699 10.688 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.079 7.358 10.424 1.00 0.00 H new ATOM 0 HG SER A 33 2.421 8.651 9.420 1.00 0.00 H new ATOM 554 N VAL A 34 2.025 5.333 7.421 1.00 0.00 N ATOM 555 CA VAL A 34 0.855 4.745 6.782 1.00 0.00 C ATOM 556 C VAL A 34 1.073 3.261 6.512 1.00 0.00 C ATOM 557 O VAL A 34 0.226 2.434 6.848 1.00 0.00 O ATOM 558 CB VAL A 34 0.571 5.470 5.465 1.00 0.00 C ATOM 559 CG1 VAL A 34 -0.548 4.751 4.704 1.00 0.00 C ATOM 560 CG2 VAL A 34 0.147 6.915 5.757 1.00 0.00 C ATOM 0 H VAL A 34 2.503 6.045 6.869 1.00 0.00 H new ATOM 0 HA VAL A 34 0.003 4.853 7.453 1.00 0.00 H new ATOM 0 HB VAL A 34 1.474 5.471 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.745 5.273 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.243 3.726 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.453 4.742 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.055 7.431 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.753 6.913 6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.948 7.429 6.289 1.00 0.00 H new ATOM 570 N LEU A 35 2.204 2.924 5.897 1.00 0.00 N ATOM 571 CA LEU A 35 2.489 1.529 5.596 1.00 0.00 C ATOM 572 C LEU A 35 2.672 0.724 6.878 1.00 0.00 C ATOM 573 O LEU A 35 2.188 -0.403 6.990 1.00 0.00 O ATOM 574 CB LEU A 35 3.747 1.431 4.722 1.00 0.00 C ATOM 575 CG LEU A 35 3.380 1.573 3.227 1.00 0.00 C ATOM 576 CD1 LEU A 35 2.695 0.284 2.719 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.436 2.775 3.013 1.00 0.00 C ATOM 0 H LEU A 35 2.923 3.585 5.603 1.00 0.00 H new ATOM 0 HA LEU A 35 1.642 1.111 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.455 2.210 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.241 0.475 4.892 1.00 0.00 H new ATOM 0 HG LEU A 35 4.299 1.738 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.442 0.398 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.373 -0.561 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.786 0.105 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.188 2.859 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.522 2.627 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.930 3.689 3.344 1.00 0.00 H new ATOM 589 N SER A 36 3.379 1.301 7.836 1.00 0.00 N ATOM 590 CA SER A 36 3.616 0.611 9.092 1.00 0.00 C ATOM 591 C SER A 36 2.300 0.366 9.825 1.00 0.00 C ATOM 592 O SER A 36 2.053 -0.730 10.323 1.00 0.00 O ATOM 593 CB SER A 36 4.543 1.448 9.966 1.00 0.00 C ATOM 594 OG SER A 36 3.898 2.671 10.288 1.00 0.00 O ATOM 0 H SER A 36 3.793 2.231 7.770 1.00 0.00 H new ATOM 0 HA SER A 36 4.081 -0.352 8.881 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.794 0.904 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.479 1.643 9.443 1.00 0.00 H new ATOM 0 HG SER A 36 4.320 3.065 11.080 1.00 0.00 H new ATOM 600 N LYS A 37 1.461 1.397 9.883 1.00 0.00 N ATOM 601 CA LYS A 37 0.175 1.281 10.558 1.00 0.00 C ATOM 602 C LYS A 37 -0.760 0.345 9.797 1.00 0.00 C ATOM 603 O LYS A 37 -1.397 -0.527 10.388 1.00 0.00 O ATOM 604 CB LYS A 37 -0.475 2.658 10.683 1.00 0.00 C ATOM 605 CG LYS A 37 -1.756 2.548 11.514 1.00 0.00 C ATOM 606 CD LYS A 37 -2.383 3.939 11.669 1.00 0.00 C ATOM 607 CE LYS A 37 -1.452 4.859 12.480 1.00 0.00 C ATOM 608 NZ LYS A 37 -0.568 5.607 11.540 1.00 0.00 N ATOM 0 H LYS A 37 1.647 2.313 9.475 1.00 0.00 H new ATOM 0 HA LYS A 37 0.350 0.866 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.217 3.356 11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.704 3.054 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.460 1.871 11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.532 2.127 12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.568 4.373 10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.348 3.856 12.168 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.039 5.555 13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.851 4.270 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.426 5.383 11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.789 5.331 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.724 6.629 11.655 1.00 0.00 H new ATOM 622 N ALA A 38 -0.844 0.543 8.485 1.00 0.00 N ATOM 623 CA ALA A 38 -1.712 -0.280 7.654 1.00 0.00 C ATOM 624 C ALA A 38 -1.088 -1.650 7.413 1.00 0.00 C ATOM 625 O ALA A 38 -1.496 -2.639 8.019 1.00 0.00 O ATOM 626 CB ALA A 38 -1.957 0.416 6.312 1.00 0.00 C ATOM 0 H ALA A 38 -0.325 1.261 7.979 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.660 -0.416 8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.607 -0.204 5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.433 1.381 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.006 0.566 5.801 1.00 0.00 H new ATOM 632 N CYS A 39 -0.097 -1.697 6.529 1.00 0.00 N ATOM 633 CA CYS A 39 0.576 -2.955 6.221 1.00 0.00 C ATOM 634 C CYS A 39 1.658 -3.249 7.257 1.00 0.00 C ATOM 635 O CYS A 39 2.851 -3.155 6.970 1.00 0.00 O ATOM 636 CB CYS A 39 1.194 -2.881 4.819 1.00 0.00 C ATOM 637 SG CYS A 39 2.349 -4.258 4.584 1.00 0.00 S ATOM 0 H CYS A 39 0.256 -0.888 6.018 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.156 -3.762 6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.409 -2.919 4.063 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.714 -1.932 4.691 1.00 0.00 H new ATOM 0 HG CYS A 39 1.768 -5.200 3.901 1.00 0.00 H new ATOM 643 N SER A 40 1.229 -3.614 8.459 1.00 0.00 N ATOM 644 CA SER A 40 2.168 -3.934 9.526 1.00 0.00 C ATOM 645 C SER A 40 2.786 -5.309 9.303 1.00 0.00 C ATOM 646 O SER A 40 3.903 -5.578 9.747 1.00 0.00 O ATOM 647 CB SER A 40 1.457 -3.904 10.878 1.00 0.00 C ATOM 648 OG SER A 40 0.376 -4.826 10.862 1.00 0.00 O ATOM 0 H SER A 40 0.246 -3.695 8.718 1.00 0.00 H new ATOM 0 HA SER A 40 2.962 -3.187 9.519 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.156 -4.159 11.675 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.090 -2.899 11.086 1.00 0.00 H new ATOM 0 HG SER A 40 -0.081 -4.810 11.729 1.00 0.00 H new ATOM 654 N GLU A 41 2.050 -6.175 8.610 1.00 0.00 N ATOM 655 CA GLU A 41 2.539 -7.521 8.332 1.00 0.00 C ATOM 656 C GLU A 41 1.589 -8.243 7.379 1.00 0.00 C ATOM 657 O GLU A 41 0.381 -8.003 7.392 1.00 0.00 O ATOM 658 CB GLU A 41 2.657 -8.314 9.634 1.00 0.00 C ATOM 659 CG GLU A 41 3.389 -9.629 9.367 1.00 0.00 C ATOM 660 CD GLU A 41 3.568 -10.398 10.672 1.00 0.00 C ATOM 661 OE1 GLU A 41 3.375 -9.800 11.719 1.00 0.00 O ATOM 662 OE2 GLU A 41 3.896 -11.570 10.607 1.00 0.00 O ATOM 0 H GLU A 41 1.124 -5.971 8.235 1.00 0.00 H new ATOM 0 HA GLU A 41 3.521 -7.444 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.197 -7.730 10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.666 -8.514 10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.825 -10.231 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.361 -9.429 8.916 1.00 0.00 H new ATOM 669 N PHE A 42 2.142 -9.138 6.560 1.00 0.00 N ATOM 670 CA PHE A 42 1.336 -9.906 5.605 1.00 0.00 C ATOM 671 C PHE A 42 1.668 -11.391 5.698 1.00 0.00 C ATOM 672 O PHE A 42 2.805 -11.775 5.971 1.00 0.00 O ATOM 673 CB PHE A 42 1.597 -9.396 4.168 1.00 0.00 C ATOM 674 CG PHE A 42 0.579 -8.333 3.801 1.00 0.00 C ATOM 675 CD1 PHE A 42 -0.772 -8.680 3.710 1.00 0.00 C ATOM 676 CD2 PHE A 42 0.984 -7.016 3.548 1.00 0.00 C ATOM 677 CE1 PHE A 42 -1.723 -7.713 3.371 1.00 0.00 C ATOM 678 CE2 PHE A 42 0.030 -6.048 3.207 1.00 0.00 C ATOM 679 CZ PHE A 42 -1.323 -6.397 3.120 1.00 0.00 C ATOM 0 H PHE A 42 3.139 -9.350 6.537 1.00 0.00 H new ATOM 0 HA PHE A 42 0.282 -9.770 5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.605 -8.986 4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.539 -10.225 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.082 -9.697 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.028 -6.748 3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.767 -7.982 3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.339 -5.032 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.058 -5.650 2.859 1.00 0.00 H new ATOM 689 N GLU A 43 0.655 -12.218 5.463 1.00 0.00 N ATOM 690 CA GLU A 43 0.828 -13.660 5.514 1.00 0.00 C ATOM 691 C GLU A 43 1.535 -14.154 4.259 1.00 0.00 C ATOM 692 O GLU A 43 1.699 -13.410 3.293 1.00 0.00 O ATOM 693 CB GLU A 43 -0.529 -14.353 5.643 1.00 0.00 C ATOM 694 CG GLU A 43 -1.155 -14.012 6.997 1.00 0.00 C ATOM 695 CD GLU A 43 -2.524 -14.672 7.118 1.00 0.00 C ATOM 696 OE1 GLU A 43 -2.897 -15.388 6.202 1.00 0.00 O ATOM 697 OE2 GLU A 43 -3.179 -14.453 8.123 1.00 0.00 O ATOM 0 H GLU A 43 -0.291 -11.913 5.236 1.00 0.00 H new ATOM 0 HA GLU A 43 1.437 -13.901 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.189 -14.035 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.408 -15.432 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.505 -14.352 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.252 -12.931 7.100 1.00 0.00 H new ATOM 704 N VAL A 44 1.945 -15.419 4.283 1.00 0.00 N ATOM 705 CA VAL A 44 2.630 -16.019 3.139 1.00 0.00 C ATOM 706 C VAL A 44 2.285 -17.496 3.013 1.00 0.00 C ATOM 707 O VAL A 44 2.339 -18.243 3.990 1.00 0.00 O ATOM 708 CB VAL A 44 4.138 -15.857 3.304 1.00 0.00 C ATOM 709 CG1 VAL A 44 4.862 -16.524 2.133 1.00 0.00 C ATOM 710 CG2 VAL A 44 4.483 -14.369 3.339 1.00 0.00 C ATOM 0 H VAL A 44 1.817 -16.047 5.077 1.00 0.00 H new ATOM 0 HA VAL A 44 2.301 -15.510 2.233 1.00 0.00 H new ATOM 0 HB VAL A 44 4.454 -16.329 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.939 -16.405 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.614 -17.585 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.550 -16.057 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.560 -14.248 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.165 -13.900 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.971 -13.896 4.177 1.00 0.00 H new ATOM 720 N ASP A 45 1.938 -17.914 1.797 1.00 0.00 N ATOM 721 CA ASP A 45 1.590 -19.311 1.539 1.00 0.00 C ATOM 722 C ASP A 45 2.050 -19.730 0.148 1.00 0.00 C ATOM 723 O ASP A 45 2.089 -18.916 -0.774 1.00 0.00 O ATOM 724 CB ASP A 45 0.077 -19.500 1.661 1.00 0.00 C ATOM 725 CG ASP A 45 -0.259 -20.986 1.745 1.00 0.00 C ATOM 726 OD1 ASP A 45 0.604 -21.785 1.425 1.00 0.00 O ATOM 727 OD2 ASP A 45 -1.374 -21.300 2.127 1.00 0.00 O ATOM 0 H ASP A 45 1.890 -17.308 0.978 1.00 0.00 H new ATOM 0 HA ASP A 45 2.094 -19.936 2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.292 -18.985 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.424 -19.054 0.802 1.00 0.00 H new ATOM 732 N LYS A 46 2.398 -21.000 0.004 1.00 0.00 N ATOM 733 CA LYS A 46 2.857 -21.519 -1.279 1.00 0.00 C ATOM 734 C LYS A 46 1.690 -21.665 -2.250 1.00 0.00 C ATOM 735 O LYS A 46 1.768 -22.425 -3.216 1.00 0.00 O ATOM 736 CB LYS A 46 3.528 -22.877 -1.079 1.00 0.00 C ATOM 737 CG LYS A 46 2.523 -23.859 -0.473 1.00 0.00 C ATOM 738 CD LYS A 46 3.226 -25.180 -0.155 1.00 0.00 C ATOM 739 CE LYS A 46 2.232 -26.152 0.482 1.00 0.00 C ATOM 740 NZ LYS A 46 1.002 -26.233 -0.359 1.00 0.00 N ATOM 0 H LYS A 46 2.372 -21.689 0.756 1.00 0.00 H new ATOM 0 HA LYS A 46 3.575 -20.814 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.894 -23.257 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.393 -22.774 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.090 -23.438 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.702 -24.031 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.639 -25.612 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.062 -25.004 0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.684 -27.139 0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.976 -25.819 1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.550 -27.160 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.340 -25.481 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.258 -26.115 -1.360 1.00 0.00 H new ATOM 754 N ASP A 47 0.604 -20.938 -1.984 1.00 0.00 N ATOM 755 CA ASP A 47 -0.587 -20.993 -2.838 1.00 0.00 C ATOM 756 C ASP A 47 -0.931 -19.609 -3.372 1.00 0.00 C ATOM 757 O ASP A 47 -2.043 -19.378 -3.851 1.00 0.00 O ATOM 758 CB ASP A 47 -1.773 -21.534 -2.039 1.00 0.00 C ATOM 759 CG ASP A 47 -2.904 -21.916 -2.986 1.00 0.00 C ATOM 760 OD1 ASP A 47 -3.727 -21.063 -3.271 1.00 0.00 O ATOM 761 OD2 ASP A 47 -2.930 -23.060 -3.412 1.00 0.00 O ATOM 0 H ASP A 47 0.523 -20.306 -1.188 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.376 -21.654 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.465 -22.403 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.119 -20.782 -1.330 1.00 0.00 H new ATOM 766 N VAL A 48 0.025 -18.691 -3.290 1.00 0.00 N ATOM 767 CA VAL A 48 -0.180 -17.326 -3.770 1.00 0.00 C ATOM 768 C VAL A 48 1.014 -16.882 -4.592 1.00 0.00 C ATOM 769 O VAL A 48 2.100 -17.455 -4.493 1.00 0.00 O ATOM 770 CB VAL A 48 -0.382 -16.368 -2.587 1.00 0.00 C ATOM 771 CG1 VAL A 48 -1.342 -17.008 -1.583 1.00 0.00 C ATOM 772 CG2 VAL A 48 0.964 -16.067 -1.900 1.00 0.00 C ATOM 0 H VAL A 48 0.950 -18.865 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.073 -17.307 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.800 -15.431 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.490 -16.333 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.300 -17.200 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.921 -17.948 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.802 -15.387 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.401 -16.996 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.643 -15.605 -2.617 1.00 0.00 H new ATOM 782 N THR A 49 0.807 -15.848 -5.394 1.00 0.00 N ATOM 783 CA THR A 49 1.870 -15.307 -6.230 1.00 0.00 C ATOM 784 C THR A 49 2.119 -13.853 -5.881 1.00 0.00 C ATOM 785 O THR A 49 1.180 -13.068 -5.743 1.00 0.00 O ATOM 786 CB THR A 49 1.485 -15.407 -7.704 1.00 0.00 C ATOM 787 OG1 THR A 49 0.324 -14.622 -7.945 1.00 0.00 O ATOM 788 CG2 THR A 49 1.202 -16.864 -8.066 1.00 0.00 C ATOM 0 H THR A 49 -0.088 -15.366 -5.484 1.00 0.00 H new ATOM 0 HA THR A 49 2.776 -15.886 -6.051 1.00 0.00 H new ATOM 0 HB THR A 49 2.307 -15.038 -8.317 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.078 -14.685 -8.891 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.928 -16.931 -9.119 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.094 -17.464 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.382 -17.239 -7.453 1.00 0.00 H new ATOM 796 N LEU A 50 3.395 -13.502 -5.757 1.00 0.00 N ATOM 797 CA LEU A 50 3.802 -12.137 -5.450 1.00 0.00 C ATOM 798 C LEU A 50 2.936 -11.128 -6.205 1.00 0.00 C ATOM 799 O LEU A 50 2.895 -9.948 -5.856 1.00 0.00 O ATOM 800 CB LEU A 50 5.286 -11.941 -5.819 1.00 0.00 C ATOM 801 CG LEU A 50 5.543 -12.074 -7.347 1.00 0.00 C ATOM 802 CD1 LEU A 50 4.896 -13.348 -7.914 1.00 0.00 C ATOM 803 CD2 LEU A 50 5.034 -10.827 -8.118 1.00 0.00 C ATOM 0 H LEU A 50 4.172 -14.153 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 50 3.670 -11.967 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.614 -10.957 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.889 -12.677 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 50 6.622 -12.145 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.094 -13.411 -8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.315 -14.222 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.820 -13.315 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.229 -10.953 -9.183 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.962 -10.712 -7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.553 -9.939 -7.757 1.00 0.00 H new ATOM 815 N ASP A 51 2.255 -11.604 -7.246 1.00 0.00 N ATOM 816 CA ASP A 51 1.395 -10.752 -8.054 1.00 0.00 C ATOM 817 C ASP A 51 0.192 -10.300 -7.239 1.00 0.00 C ATOM 818 O ASP A 51 -0.119 -9.105 -7.158 1.00 0.00 O ATOM 819 CB ASP A 51 0.928 -11.522 -9.293 1.00 0.00 C ATOM 820 CG ASP A 51 0.015 -10.647 -10.145 1.00 0.00 C ATOM 821 OD1 ASP A 51 -0.295 -9.549 -9.713 1.00 0.00 O ATOM 822 OD2 ASP A 51 -0.359 -11.088 -11.219 1.00 0.00 O ATOM 0 H ASP A 51 2.285 -12.578 -7.547 1.00 0.00 H new ATOM 0 HA ASP A 51 1.956 -9.872 -8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.790 -11.839 -9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.399 -12.426 -8.990 1.00 0.00 H new ATOM 827 N GLU A 52 -0.474 -11.265 -6.617 1.00 0.00 N ATOM 828 CA GLU A 52 -1.632 -10.965 -5.792 1.00 0.00 C ATOM 829 C GLU A 52 -1.200 -10.187 -4.561 1.00 0.00 C ATOM 830 O GLU A 52 -1.915 -9.309 -4.090 1.00 0.00 O ATOM 831 CB GLU A 52 -2.327 -12.260 -5.369 1.00 0.00 C ATOM 832 CG GLU A 52 -2.945 -12.933 -6.596 1.00 0.00 C ATOM 833 CD GLU A 52 -3.532 -14.285 -6.209 1.00 0.00 C ATOM 834 OE1 GLU A 52 -3.453 -14.631 -5.041 1.00 0.00 O ATOM 835 OE2 GLU A 52 -4.053 -14.954 -7.086 1.00 0.00 O ATOM 0 H GLU A 52 -0.233 -12.255 -6.669 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.331 -10.362 -6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.611 -12.931 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.100 -12.046 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.723 -12.296 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.188 -13.064 -7.369 1.00 0.00 H new ATOM 842 N LEU A 53 -0.021 -10.514 -4.045 1.00 0.00 N ATOM 843 CA LEU A 53 0.487 -9.826 -2.868 1.00 0.00 C ATOM 844 C LEU A 53 0.660 -8.345 -3.172 1.00 0.00 C ATOM 845 O LEU A 53 0.273 -7.492 -2.381 1.00 0.00 O ATOM 846 CB LEU A 53 1.839 -10.421 -2.447 1.00 0.00 C ATOM 847 CG LEU A 53 2.363 -9.723 -1.179 1.00 0.00 C ATOM 848 CD1 LEU A 53 1.395 -9.954 -0.006 1.00 0.00 C ATOM 849 CD2 LEU A 53 3.747 -10.290 -0.831 1.00 0.00 C ATOM 0 H LEU A 53 0.592 -11.240 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.227 -9.951 -2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.731 -11.490 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.561 -10.308 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 53 2.438 -8.651 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.777 -9.455 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.415 -9.548 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.306 -11.023 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.126 -9.801 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.667 -11.362 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.433 -10.110 -1.659 1.00 0.00 H new ATOM 861 N LEU A 54 1.247 -8.044 -4.323 1.00 0.00 N ATOM 862 CA LEU A 54 1.466 -6.653 -4.697 1.00 0.00 C ATOM 863 C LEU A 54 0.128 -5.945 -4.847 1.00 0.00 C ATOM 864 O LEU A 54 -0.046 -4.819 -4.381 1.00 0.00 O ATOM 865 CB LEU A 54 2.260 -6.590 -6.015 1.00 0.00 C ATOM 866 CG LEU A 54 3.144 -5.328 -6.049 1.00 0.00 C ATOM 867 CD1 LEU A 54 2.283 -4.080 -5.802 1.00 0.00 C ATOM 868 CD2 LEU A 54 4.256 -5.429 -4.971 1.00 0.00 C ATOM 0 H LEU A 54 1.575 -8.730 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 54 2.040 -6.152 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.881 -7.480 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.573 -6.584 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 54 3.611 -5.248 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.914 -3.192 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.520 -4.005 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.803 -4.156 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.876 -4.533 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.800 -5.520 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.874 -6.305 -5.167 1.00 0.00 H new ATOM 880 N ASP A 55 -0.815 -6.610 -5.495 1.00 0.00 N ATOM 881 CA ASP A 55 -2.130 -6.022 -5.691 1.00 0.00 C ATOM 882 C ASP A 55 -2.820 -5.783 -4.351 1.00 0.00 C ATOM 883 O ASP A 55 -3.441 -4.740 -4.139 1.00 0.00 O ATOM 884 CB ASP A 55 -2.987 -6.949 -6.550 1.00 0.00 C ATOM 885 CG ASP A 55 -2.493 -6.928 -7.993 1.00 0.00 C ATOM 886 OD1 ASP A 55 -1.684 -6.070 -8.309 1.00 0.00 O ATOM 887 OD2 ASP A 55 -2.933 -7.766 -8.760 1.00 0.00 O ATOM 0 H ASP A 55 -0.698 -7.544 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.008 -5.064 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.944 -7.965 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.030 -6.635 -6.509 1.00 0.00 H new ATOM 892 N VAL A 56 -2.713 -6.757 -3.449 1.00 0.00 N ATOM 893 CA VAL A 56 -3.337 -6.640 -2.138 1.00 0.00 C ATOM 894 C VAL A 56 -2.661 -5.551 -1.318 1.00 0.00 C ATOM 895 O VAL A 56 -3.325 -4.736 -0.688 1.00 0.00 O ATOM 896 CB VAL A 56 -3.255 -7.981 -1.401 1.00 0.00 C ATOM 897 CG1 VAL A 56 -3.716 -7.805 0.049 1.00 0.00 C ATOM 898 CG2 VAL A 56 -4.162 -9.000 -2.101 1.00 0.00 C ATOM 0 H VAL A 56 -2.204 -7.628 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.384 -6.369 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.224 -8.336 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.656 -8.761 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.075 -7.079 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.746 -7.449 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.106 -9.955 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.191 -8.640 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.835 -9.130 -3.133 1.00 0.00 H new ATOM 908 N VAL A 57 -1.338 -5.557 -1.318 1.00 0.00 N ATOM 909 CA VAL A 57 -0.585 -4.573 -0.554 1.00 0.00 C ATOM 910 C VAL A 57 -0.927 -3.167 -1.033 1.00 0.00 C ATOM 911 O VAL A 57 -1.169 -2.267 -0.220 1.00 0.00 O ATOM 912 CB VAL A 57 0.917 -4.833 -0.722 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.717 -3.681 -0.102 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.291 -6.152 -0.035 1.00 0.00 C ATOM 0 H VAL A 57 -0.766 -6.226 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.849 -4.658 0.500 1.00 0.00 H new ATOM 0 HB VAL A 57 1.153 -4.900 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.783 -3.871 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.456 -2.747 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.482 -3.605 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.359 -6.335 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.051 -6.090 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.729 -6.970 -0.487 1.00 0.00 H new ATOM 924 N LEU A 58 -0.952 -2.983 -2.346 1.00 0.00 N ATOM 925 CA LEU A 58 -1.270 -1.677 -2.902 1.00 0.00 C ATOM 926 C LEU A 58 -2.669 -1.258 -2.464 1.00 0.00 C ATOM 927 O LEU A 58 -2.871 -0.159 -1.955 1.00 0.00 O ATOM 928 CB LEU A 58 -1.197 -1.740 -4.432 1.00 0.00 C ATOM 929 CG LEU A 58 -1.533 -0.365 -5.035 1.00 0.00 C ATOM 930 CD1 LEU A 58 -0.520 0.688 -4.552 1.00 0.00 C ATOM 931 CD2 LEU A 58 -1.498 -0.462 -6.567 1.00 0.00 C ATOM 0 H LEU A 58 -0.759 -3.709 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.550 -0.943 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.199 -2.048 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.894 -2.490 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.529 -0.063 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.768 1.657 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.557 0.756 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.483 0.397 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.736 0.510 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.503 -0.769 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.231 -1.196 -6.902 1.00 0.00 H new ATOM 943 N ASP A 59 -3.633 -2.139 -2.673 1.00 0.00 N ATOM 944 CA ASP A 59 -5.007 -1.844 -2.301 1.00 0.00 C ATOM 945 C ASP A 59 -5.095 -1.594 -0.799 1.00 0.00 C ATOM 946 O ASP A 59 -5.914 -0.802 -0.340 1.00 0.00 O ATOM 947 CB ASP A 59 -5.926 -3.004 -2.690 1.00 0.00 C ATOM 948 CG ASP A 59 -7.384 -2.546 -2.667 1.00 0.00 C ATOM 949 OD1 ASP A 59 -7.835 -2.126 -1.613 1.00 0.00 O ATOM 950 OD2 ASP A 59 -8.023 -2.624 -3.702 1.00 0.00 O ATOM 0 H ASP A 59 -3.492 -3.057 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.329 -0.949 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.666 -3.367 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.787 -3.836 -2.000 1.00 0.00 H new ATOM 955 N ALA A 60 -4.253 -2.285 -0.037 1.00 0.00 N ATOM 956 CA ALA A 60 -4.246 -2.139 1.417 1.00 0.00 C ATOM 957 C ALA A 60 -3.953 -0.697 1.819 1.00 0.00 C ATOM 958 O ALA A 60 -4.724 -0.078 2.558 1.00 0.00 O ATOM 959 CB ALA A 60 -3.178 -3.056 2.023 1.00 0.00 C ATOM 0 H ALA A 60 -3.569 -2.949 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.232 -2.414 1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.175 -2.945 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.399 -4.092 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.199 -2.785 1.628 1.00 0.00 H new ATOM 965 N VAL A 61 -2.840 -0.163 1.319 1.00 0.00 N ATOM 966 CA VAL A 61 -2.466 1.211 1.636 1.00 0.00 C ATOM 967 C VAL A 61 -3.484 2.191 1.059 1.00 0.00 C ATOM 968 O VAL A 61 -3.820 3.193 1.691 1.00 0.00 O ATOM 969 CB VAL A 61 -1.062 1.519 1.095 1.00 0.00 C ATOM 970 CG1 VAL A 61 -0.975 1.126 -0.379 1.00 0.00 C ATOM 971 CG2 VAL A 61 -0.771 3.016 1.237 1.00 0.00 C ATOM 0 H VAL A 61 -2.192 -0.653 0.703 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.456 1.325 2.720 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.329 0.948 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.023 1.347 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.174 0.060 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.712 1.691 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.226 3.231 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.509 3.585 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.823 3.299 2.288 1.00 0.00 H new ATOM 981 N GLU A 62 -3.962 1.900 -0.142 1.00 0.00 N ATOM 982 CA GLU A 62 -4.931 2.769 -0.792 1.00 0.00 C ATOM 983 C GLU A 62 -6.218 2.827 0.021 1.00 0.00 C ATOM 984 O GLU A 62 -6.795 3.897 0.208 1.00 0.00 O ATOM 985 CB GLU A 62 -5.232 2.244 -2.199 1.00 0.00 C ATOM 986 CG GLU A 62 -6.193 3.197 -2.916 1.00 0.00 C ATOM 987 CD GLU A 62 -6.492 2.680 -4.318 1.00 0.00 C ATOM 988 OE1 GLU A 62 -6.167 1.536 -4.588 1.00 0.00 O ATOM 989 OE2 GLU A 62 -7.041 3.435 -5.102 1.00 0.00 O ATOM 0 H GLU A 62 -3.697 1.076 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.513 3.773 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.307 2.151 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.671 1.248 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.119 3.288 -2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.755 4.193 -2.973 1.00 0.00 H new ATOM 996 N SER A 63 -6.666 1.670 0.493 1.00 0.00 N ATOM 997 CA SER A 63 -7.890 1.606 1.278 1.00 0.00 C ATOM 998 C SER A 63 -7.749 2.424 2.553 1.00 0.00 C ATOM 999 O SER A 63 -8.616 3.233 2.880 1.00 0.00 O ATOM 1000 CB SER A 63 -8.200 0.154 1.638 1.00 0.00 C ATOM 1001 OG SER A 63 -8.402 -0.592 0.444 1.00 0.00 O ATOM 0 H SER A 63 -6.205 0.772 0.347 1.00 0.00 H new ATOM 0 HA SER A 63 -8.705 2.017 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.379 -0.274 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.089 0.105 2.266 1.00 0.00 H new ATOM 0 HG SER A 63 -7.545 -0.951 0.134 1.00 0.00 H new ATOM 1007 N THR A 64 -6.654 2.202 3.277 1.00 0.00 N ATOM 1008 CA THR A 64 -6.425 2.931 4.516 1.00 0.00 C ATOM 1009 C THR A 64 -6.328 4.423 4.250 1.00 0.00 C ATOM 1010 O THR A 64 -6.975 5.228 4.922 1.00 0.00 O ATOM 1011 CB THR A 64 -5.134 2.448 5.181 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.145 1.028 5.253 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.026 3.039 6.587 1.00 0.00 C ATOM 0 H THR A 64 -5.924 1.534 3.030 1.00 0.00 H new ATOM 0 HA THR A 64 -7.268 2.744 5.181 1.00 0.00 H new ATOM 0 HB THR A 64 -4.276 2.774 4.592 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.866 0.655 4.391 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.106 2.693 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.015 4.127 6.524 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.881 2.719 7.183 1.00 0.00 H new ATOM 1021 N LEU A 65 -5.516 4.792 3.259 1.00 0.00 N ATOM 1022 CA LEU A 65 -5.341 6.201 2.904 1.00 0.00 C ATOM 1023 C LEU A 65 -6.021 6.500 1.573 1.00 0.00 C ATOM 1024 O LEU A 65 -5.373 6.542 0.526 1.00 0.00 O ATOM 1025 CB LEU A 65 -3.840 6.534 2.816 1.00 0.00 C ATOM 1026 CG LEU A 65 -3.614 8.049 2.974 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -2.133 8.318 3.244 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -4.048 8.791 1.702 1.00 0.00 C ATOM 0 H LEU A 65 -4.973 4.141 2.692 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.800 6.819 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.296 5.996 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.443 6.199 1.858 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.212 8.409 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.972 9.390 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.832 7.808 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.538 7.947 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.882 9.861 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.464 8.432 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.107 8.608 1.517 1.00 0.00 H new ATOM 1040 N SER A 66 -7.329 6.727 1.627 1.00 0.00 N ATOM 1041 CA SER A 66 -8.093 7.046 0.427 1.00 0.00 C ATOM 1042 C SER A 66 -7.887 8.513 0.037 1.00 0.00 C ATOM 1043 O SER A 66 -7.705 8.834 -1.137 1.00 0.00 O ATOM 1044 CB SER A 66 -9.588 6.752 0.663 1.00 0.00 C ATOM 1045 OG SER A 66 -10.062 5.895 -0.363 1.00 0.00 O ATOM 0 H SER A 66 -7.880 6.696 2.485 1.00 0.00 H new ATOM 0 HA SER A 66 -7.739 6.422 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.730 6.285 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.157 7.682 0.669 1.00 0.00 H new ATOM 0 HG SER A 66 -11.012 5.704 -0.217 1.00 0.00 H new ATOM 1051 N PRO A 67 -7.927 9.404 1.002 1.00 0.00 N ATOM 1052 CA PRO A 67 -7.760 10.870 0.758 1.00 0.00 C ATOM 1053 C PRO A 67 -6.397 11.200 0.153 1.00 0.00 C ATOM 1054 O PRO A 67 -5.365 11.019 0.791 1.00 0.00 O ATOM 1055 CB PRO A 67 -7.924 11.501 2.158 1.00 0.00 C ATOM 1056 CG PRO A 67 -8.589 10.451 2.995 1.00 0.00 C ATOM 1057 CD PRO A 67 -8.130 9.113 2.429 1.00 0.00 C ATOM 0 HA PRO A 67 -8.483 11.251 0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.958 11.783 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.528 12.407 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.306 10.550 4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.674 10.543 2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.212 8.768 2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.878 8.334 2.579 1.00 0.00 H new ATOM 1065 N CYS A 68 -6.403 11.702 -1.080 1.00 0.00 N ATOM 1066 CA CYS A 68 -5.159 12.065 -1.760 1.00 0.00 C ATOM 1067 C CYS A 68 -5.288 13.446 -2.396 1.00 0.00 C ATOM 1068 O CYS A 68 -4.368 14.250 -2.337 1.00 0.00 O ATOM 1069 CB CYS A 68 -4.831 11.021 -2.835 1.00 0.00 C ATOM 1070 SG CYS A 68 -6.359 10.514 -3.663 1.00 0.00 S ATOM 0 H CYS A 68 -7.248 11.866 -1.627 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.351 12.091 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.131 11.437 -3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.345 10.157 -2.382 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.084 9.812 -2.844 1.00 0.00 H new ATOM 1076 N LYS A 69 -6.435 13.710 -3.008 1.00 0.00 N ATOM 1077 CA LYS A 69 -6.663 14.994 -3.656 1.00 0.00 C ATOM 1078 C LYS A 69 -6.605 16.131 -2.639 1.00 0.00 C ATOM 1079 O LYS A 69 -6.111 17.219 -2.936 1.00 0.00 O ATOM 1080 CB LYS A 69 -8.024 14.995 -4.350 1.00 0.00 C ATOM 1081 CG LYS A 69 -8.197 16.297 -5.136 1.00 0.00 C ATOM 1082 CD LYS A 69 -9.535 16.274 -5.874 1.00 0.00 C ATOM 1083 CE LYS A 69 -9.699 17.569 -6.673 1.00 0.00 C ATOM 1084 NZ LYS A 69 -11.002 17.543 -7.396 1.00 0.00 N ATOM 0 H LYS A 69 -7.216 13.057 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.878 15.148 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.102 14.140 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.820 14.895 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.158 17.151 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.380 16.416 -5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.579 15.414 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.353 16.167 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.658 18.429 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.879 17.678 -7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.115 18.422 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.023 16.730 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.778 17.458 -6.709 1.00 0.00 H new ATOM 1098 N GLU A 70 -7.122 15.876 -1.443 1.00 0.00 N ATOM 1099 CA GLU A 70 -7.136 16.889 -0.390 1.00 0.00 C ATOM 1100 C GLU A 70 -5.748 17.057 0.223 1.00 0.00 C ATOM 1101 O GLU A 70 -5.618 17.416 1.393 1.00 0.00 O ATOM 1102 CB GLU A 70 -8.131 16.489 0.701 1.00 0.00 C ATOM 1103 CG GLU A 70 -9.552 16.551 0.139 1.00 0.00 C ATOM 1104 CD GLU A 70 -10.547 16.064 1.187 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -10.229 15.111 1.879 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -11.614 16.649 1.281 1.00 0.00 O ATOM 0 H GLU A 70 -7.535 14.982 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.438 17.838 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.912 15.482 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.037 17.157 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.792 17.573 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.625 15.936 -0.758 1.00 0.00 H new ATOM 1113 N HIS A 71 -4.715 16.791 -0.575 1.00 0.00 N ATOM 1114 CA HIS A 71 -3.330 16.911 -0.106 1.00 0.00 C ATOM 1115 C HIS A 71 -2.467 17.590 -1.157 1.00 0.00 C ATOM 1116 O HIS A 71 -2.653 17.383 -2.353 1.00 0.00 O ATOM 1117 CB HIS A 71 -2.771 15.529 0.200 1.00 0.00 C ATOM 1118 CG HIS A 71 -3.515 14.931 1.363 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -3.180 15.211 2.678 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -4.581 14.066 1.424 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -4.029 14.527 3.467 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -4.904 13.813 2.753 1.00 0.00 N ATOM 0 H HIS A 71 -4.807 16.492 -1.546 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.320 17.518 0.799 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.865 14.886 -0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.708 15.598 0.432 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -2.427 15.824 2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.091 13.646 0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.006 14.552 4.546 1.00 0.00 H new ATOM 1130 N ASP A 72 -1.518 18.403 -0.702 1.00 0.00 N ATOM 1131 CA ASP A 72 -0.625 19.103 -1.616 1.00 0.00 C ATOM 1132 C ASP A 72 0.490 18.182 -2.102 1.00 0.00 C ATOM 1133 O ASP A 72 0.598 17.899 -3.295 1.00 0.00 O ATOM 1134 CB ASP A 72 -0.011 20.312 -0.910 1.00 0.00 C ATOM 1135 CG ASP A 72 0.794 21.142 -1.905 1.00 0.00 C ATOM 1136 OD1 ASP A 72 0.910 20.717 -3.043 1.00 0.00 O ATOM 1137 OD2 ASP A 72 1.284 22.187 -1.513 1.00 0.00 O ATOM 0 H ASP A 72 -1.349 18.592 0.286 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.206 19.431 -2.478 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.797 20.923 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.633 19.980 -0.096 1.00 0.00 H new ATOM 1142 N VAL A 73 1.320 17.723 -1.168 1.00 0.00 N ATOM 1143 CA VAL A 73 2.433 16.842 -1.511 1.00 0.00 C ATOM 1144 C VAL A 73 1.909 15.496 -2.008 1.00 0.00 C ATOM 1145 O VAL A 73 2.391 14.961 -3.006 1.00 0.00 O ATOM 1146 CB VAL A 73 3.333 16.629 -0.290 1.00 0.00 C ATOM 1147 CG1 VAL A 73 4.528 15.750 -0.673 1.00 0.00 C ATOM 1148 CG2 VAL A 73 3.835 17.981 0.218 1.00 0.00 C ATOM 0 H VAL A 73 1.244 17.944 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 73 3.015 17.310 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 73 2.761 16.135 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.165 15.602 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.170 14.784 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.101 16.238 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.475 17.828 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.403 18.477 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.985 18.603 0.499 1.00 0.00 H new ATOM 1158 N ILE A 74 0.915 14.954 -1.302 1.00 0.00 N ATOM 1159 CA ILE A 74 0.330 13.666 -1.676 1.00 0.00 C ATOM 1160 C ILE A 74 -0.745 13.871 -2.741 1.00 0.00 C ATOM 1161 O ILE A 74 -1.393 12.921 -3.178 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.276 12.981 -0.440 1.00 0.00 C ATOM 1163 CG1 ILE A 74 0.668 13.148 0.755 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -0.495 11.488 -0.714 1.00 0.00 C ATOM 1165 CD1 ILE A 74 2.064 12.631 0.400 1.00 0.00 C ATOM 0 H ILE A 74 0.501 15.383 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 74 1.114 13.027 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.237 13.445 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.723 14.198 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.278 12.604 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.924 11.015 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.176 11.369 -1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.460 11.017 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.727 12.755 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.005 11.575 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.456 13.195 -0.446 1.00 0.00 H new ATOM 1177 N GLY A 75 -0.914 15.119 -3.169 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.895 15.439 -4.200 1.00 0.00 C ATOM 1179 C GLY A 75 -1.560 14.738 -5.511 1.00 0.00 C ATOM 1180 O GLY A 75 -2.445 14.439 -6.309 1.00 0.00 O ATOM 0 H GLY A 75 -0.388 15.920 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.889 15.139 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.924 16.517 -4.357 1.00 0.00 H new ATOM 1184 N THR A 76 -0.273 14.482 -5.727 1.00 0.00 N ATOM 1185 CA THR A 76 0.172 13.816 -6.951 1.00 0.00 C ATOM 1186 C THR A 76 -0.007 12.307 -6.833 1.00 0.00 C ATOM 1187 O THR A 76 0.160 11.574 -7.808 1.00 0.00 O ATOM 1188 CB THR A 76 1.649 14.135 -7.216 1.00 0.00 C ATOM 1189 OG1 THR A 76 2.228 13.079 -7.968 1.00 0.00 O ATOM 1190 CG2 THR A 76 2.393 14.277 -5.886 1.00 0.00 C ATOM 0 H THR A 76 0.476 14.722 -5.078 1.00 0.00 H new ATOM 0 HA THR A 76 -0.433 14.182 -7.780 1.00 0.00 H new ATOM 0 HB THR A 76 1.724 15.069 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.669 12.890 -8.751 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.442 14.504 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.948 15.084 -5.305 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.320 13.344 -5.327 1.00 0.00 H new ATOM 1198 N LYS A 77 -0.353 11.847 -5.635 1.00 0.00 N ATOM 1199 CA LYS A 77 -0.555 10.423 -5.402 1.00 0.00 C ATOM 1200 C LYS A 77 -1.663 9.890 -6.300 1.00 0.00 C ATOM 1201 O LYS A 77 -1.535 8.822 -6.882 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.916 10.176 -3.936 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.062 8.673 -3.685 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.362 8.424 -2.207 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.491 6.920 -1.963 1.00 0.00 C ATOM 1206 NZ LYS A 77 -1.755 6.674 -0.517 1.00 0.00 N ATOM 0 H LYS A 77 -0.498 12.436 -4.815 1.00 0.00 H new ATOM 0 HA LYS A 77 0.372 9.900 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.144 10.589 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.847 10.687 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.864 8.268 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.146 8.156 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.566 8.837 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.284 8.931 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.301 6.511 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.577 6.411 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.433 5.718 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.242 7.376 0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.775 6.756 -0.331 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.758 10.628 -6.389 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.884 10.198 -7.209 1.00 0.00 C ATOM 1222 C VAL A 78 -3.436 9.976 -8.652 1.00 0.00 C ATOM 1223 O VAL A 78 -3.807 8.982 -9.281 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.984 11.260 -7.169 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -4.494 12.533 -7.866 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -6.230 10.736 -7.883 1.00 0.00 C ATOM 0 H VAL A 78 -2.893 11.518 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.270 9.259 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.229 11.486 -6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.279 13.289 -7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.608 12.910 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.246 12.307 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.012 11.494 -7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.986 10.507 -8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.582 9.832 -7.385 1.00 0.00 H new ATOM 1236 N CYS A 79 -2.641 10.905 -9.170 1.00 0.00 N ATOM 1237 CA CYS A 79 -2.155 10.799 -10.542 1.00 0.00 C ATOM 1238 C CYS A 79 -1.185 9.628 -10.691 1.00 0.00 C ATOM 1239 O CYS A 79 -1.319 8.807 -11.603 1.00 0.00 O ATOM 1240 CB CYS A 79 -1.450 12.097 -10.939 1.00 0.00 C ATOM 1241 SG CYS A 79 -2.626 13.470 -10.868 1.00 0.00 S ATOM 0 H CYS A 79 -2.321 11.733 -8.667 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.010 10.625 -11.195 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.612 12.287 -10.269 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.040 12.007 -11.945 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.026 14.573 -11.203 1.00 0.00 H new ATOM 1247 N ALA A 80 -0.209 9.558 -9.793 1.00 0.00 N ATOM 1248 CA ALA A 80 0.780 8.488 -9.840 1.00 0.00 C ATOM 1249 C ALA A 80 0.111 7.132 -9.652 1.00 0.00 C ATOM 1250 O ALA A 80 0.455 6.160 -10.322 1.00 0.00 O ATOM 1251 CB ALA A 80 1.831 8.703 -8.746 1.00 0.00 C ATOM 0 H ALA A 80 -0.082 10.223 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 80 1.264 8.506 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.567 7.900 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.329 9.660 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.346 8.702 -7.770 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.849 7.077 -8.739 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.562 5.837 -8.471 1.00 0.00 C ATOM 1259 C LEU A 81 -2.321 5.393 -9.709 1.00 0.00 C ATOM 1260 O LEU A 81 -2.335 4.210 -10.050 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.542 6.031 -7.308 1.00 0.00 C ATOM 1262 CG LEU A 81 -3.284 4.717 -7.015 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -2.281 3.609 -6.644 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -4.264 4.939 -5.854 1.00 0.00 C ATOM 0 H LEU A 81 -1.150 7.872 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.836 5.070 -8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.003 6.359 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.258 6.815 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.831 4.408 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.820 2.684 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.591 3.451 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.721 3.907 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.793 4.010 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.713 5.253 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.983 5.712 -6.127 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.957 6.344 -10.382 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.716 6.023 -11.580 1.00 0.00 C ATOM 1278 C LEU A 82 -2.798 5.432 -12.637 1.00 0.00 C ATOM 1279 O LEU A 82 -3.148 4.458 -13.305 1.00 0.00 O ATOM 1280 CB LEU A 82 -4.396 7.286 -12.128 1.00 0.00 C ATOM 1281 CG LEU A 82 -5.123 6.971 -13.446 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -6.135 5.833 -13.235 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -5.853 8.231 -13.929 1.00 0.00 C ATOM 0 H LEU A 82 -2.962 7.330 -10.122 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.481 5.290 -11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.106 7.672 -11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.652 8.066 -12.292 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.395 6.656 -14.194 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.643 5.619 -14.175 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.612 4.940 -12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.868 6.132 -12.486 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.371 8.016 -14.863 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.577 8.543 -13.176 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.130 9.031 -14.091 1.00 0.00 H new ATOM 1295 N ASP A 83 -1.620 6.027 -12.789 1.00 0.00 N ATOM 1296 CA ASP A 83 -0.664 5.543 -13.776 1.00 0.00 C ATOM 1297 C ASP A 83 -0.239 4.115 -13.458 1.00 0.00 C ATOM 1298 O ASP A 83 -0.173 3.264 -14.347 1.00 0.00 O ATOM 1299 CB ASP A 83 0.567 6.450 -13.794 1.00 0.00 C ATOM 1300 CG ASP A 83 0.220 7.790 -14.434 1.00 0.00 C ATOM 1301 OD1 ASP A 83 -0.832 7.876 -15.045 1.00 0.00 O ATOM 1302 OD2 ASP A 83 1.013 8.708 -14.302 1.00 0.00 O ATOM 0 H ASP A 83 -1.308 6.834 -12.249 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.143 5.556 -14.755 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.928 6.606 -12.778 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.374 5.971 -14.349 1.00 0.00 H new ATOM 1307 N ARG A 84 0.047 3.856 -12.189 1.00 0.00 N ATOM 1308 CA ARG A 84 0.466 2.525 -11.772 1.00 0.00 C ATOM 1309 C ARG A 84 -0.669 1.529 -11.960 1.00 0.00 C ATOM 1310 O ARG A 84 -0.449 0.387 -12.365 1.00 0.00 O ATOM 1311 CB ARG A 84 0.890 2.542 -10.301 1.00 0.00 C ATOM 1312 CG ARG A 84 2.186 3.340 -10.151 1.00 0.00 C ATOM 1313 CD ARG A 84 2.725 3.181 -8.730 1.00 0.00 C ATOM 1314 NE ARG A 84 1.794 3.755 -7.766 1.00 0.00 N ATOM 1315 CZ ARG A 84 1.827 5.048 -7.458 1.00 0.00 C ATOM 1316 NH1 ARG A 84 2.706 5.831 -8.021 1.00 0.00 N ATOM 1317 NH2 ARG A 84 0.981 5.534 -6.590 1.00 0.00 N ATOM 0 H ARG A 84 -0.003 4.543 -11.437 1.00 0.00 H new ATOM 0 HA ARG A 84 1.313 2.222 -12.388 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.104 2.987 -9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.035 1.523 -9.942 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.925 2.991 -10.872 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.003 4.393 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.881 2.125 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.695 3.671 -8.645 1.00 0.00 H new ATOM 0 HE ARG A 84 1.103 3.152 -7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.368 5.451 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.731 6.823 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.295 4.922 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.006 6.526 -6.354 1.00 0.00 H new ATOM 1331 N LEU A 85 -1.884 1.962 -11.648 1.00 0.00 N ATOM 1332 CA LEU A 85 -3.045 1.093 -11.775 1.00 0.00 C ATOM 1333 C LEU A 85 -3.278 0.725 -13.239 1.00 0.00 C ATOM 1334 O LEU A 85 -3.672 -0.396 -13.554 1.00 0.00 O ATOM 1335 CB LEU A 85 -4.295 1.792 -11.195 1.00 0.00 C ATOM 1336 CG LEU A 85 -5.244 0.759 -10.558 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -5.592 -0.331 -11.582 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -4.575 0.121 -9.310 1.00 0.00 C ATOM 0 H LEU A 85 -2.089 2.901 -11.308 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.859 0.177 -11.213 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.994 2.527 -10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.815 2.334 -11.985 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.160 1.262 -10.249 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.263 -1.058 -11.125 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.081 0.123 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.679 -0.832 -11.904 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.253 -0.608 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.651 -0.376 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.350 0.899 -8.580 1.00 0.00 H new ATOM 1350 N ALA A 86 -3.052 1.683 -14.127 1.00 0.00 N ATOM 1351 CA ALA A 86 -3.265 1.449 -15.548 1.00 0.00 C ATOM 1352 C ALA A 86 -2.429 0.272 -16.028 1.00 0.00 C ATOM 1353 O ALA A 86 -2.905 -0.566 -16.794 1.00 0.00 O ATOM 1354 CB ALA A 86 -2.881 2.701 -16.336 1.00 0.00 C ATOM 0 H ALA A 86 -2.725 2.620 -13.892 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.318 1.220 -15.709 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.041 2.525 -17.400 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.497 3.539 -16.010 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.831 2.933 -16.161 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.184 0.201 -15.569 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.299 -0.892 -15.960 1.00 0.00 C ATOM 1362 C GLY A 87 1.162 -0.482 -15.833 1.00 0.00 C ATOM 1363 O GLY A 87 1.893 -0.443 -16.823 1.00 0.00 O ATOM 0 H GLY A 87 -0.767 0.880 -14.932 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.492 -1.763 -15.334 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.510 -1.186 -16.988 1.00 0.00 H new ATOM 1367 N ASP A 88 1.582 -0.179 -14.610 1.00 0.00 N ATOM 1368 CA ASP A 88 2.961 0.224 -14.368 1.00 0.00 C ATOM 1369 C ASP A 88 3.229 0.337 -12.874 1.00 0.00 C ATOM 1370 O ASP A 88 3.646 1.386 -12.390 1.00 0.00 O ATOM 1371 CB ASP A 88 3.236 1.572 -15.034 1.00 0.00 C ATOM 1372 CG ASP A 88 4.715 1.924 -14.907 1.00 0.00 C ATOM 1373 OD1 ASP A 88 5.480 1.050 -14.534 1.00 0.00 O ATOM 1374 OD2 ASP A 88 5.059 3.060 -15.184 1.00 0.00 O ATOM 0 H ASP A 88 0.993 -0.204 -13.778 1.00 0.00 H new ATOM 0 HA ASP A 88 3.620 -0.534 -14.792 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.952 1.532 -16.086 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.628 2.348 -14.569 1.00 0.00 H new ATOM 1379 N TYR A 89 2.987 -0.751 -12.143 1.00 0.00 N ATOM 1380 CA TYR A 89 3.202 -0.762 -10.696 1.00 0.00 C ATOM 1381 C TYR A 89 4.508 -1.466 -10.357 1.00 0.00 C ATOM 1382 O TYR A 89 4.981 -2.320 -11.108 1.00 0.00 O ATOM 1383 CB TYR A 89 2.034 -1.479 -10.007 1.00 0.00 C ATOM 1384 CG TYR A 89 2.043 -2.943 -10.384 1.00 0.00 C ATOM 1385 CD1 TYR A 89 1.542 -3.349 -11.627 1.00 0.00 C ATOM 1386 CD2 TYR A 89 2.557 -3.892 -9.492 1.00 0.00 C ATOM 1387 CE1 TYR A 89 1.553 -4.705 -11.976 1.00 0.00 C ATOM 1388 CE2 TYR A 89 2.569 -5.247 -9.844 1.00 0.00 C ATOM 1389 CZ TYR A 89 2.068 -5.655 -11.085 1.00 0.00 C ATOM 1390 OH TYR A 89 2.081 -6.990 -11.430 1.00 0.00 O ATOM 0 H TYR A 89 2.644 -1.632 -12.526 1.00 0.00 H new ATOM 0 HA TYR A 89 3.258 0.267 -10.342 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.115 -1.371 -8.925 1.00 0.00 H new ATOM 0 HB3 TYR A 89 1.089 -1.023 -10.303 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.147 -2.617 -12.316 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.944 -3.579 -8.533 1.00 0.00 H new ATOM 0 HE1 TYR A 89 1.164 -5.019 -12.933 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.966 -5.979 -9.156 1.00 0.00 H new ATOM 0 HH TYR A 89 2.473 -7.513 -10.699 1.00 0.00 H new ATOM 1400 N VAL A 90 5.102 -1.083 -9.234 1.00 0.00 N ATOM 1401 CA VAL A 90 6.374 -1.658 -8.820 1.00 0.00 C ATOM 1402 C VAL A 90 6.313 -3.176 -8.913 1.00 0.00 C ATOM 1403 O VAL A 90 5.257 -3.778 -8.732 1.00 0.00 O ATOM 1404 CB VAL A 90 6.683 -1.253 -7.378 1.00 0.00 C ATOM 1405 CG1 VAL A 90 6.800 0.270 -7.284 1.00 0.00 C ATOM 1406 CG2 VAL A 90 5.554 -1.735 -6.465 1.00 0.00 C ATOM 0 H VAL A 90 4.726 -0.381 -8.597 1.00 0.00 H new ATOM 0 HA VAL A 90 7.159 -1.286 -9.479 1.00 0.00 H new ATOM 0 HB VAL A 90 7.625 -1.706 -7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.020 0.555 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.603 0.614 -7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.860 0.727 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.771 -1.448 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.614 -1.281 -6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.472 -2.820 -6.530 1.00 0.00 H new ATOM 1416 N TYR A 91 7.453 -3.789 -9.217 1.00 0.00 N ATOM 1417 CA TYR A 91 7.521 -5.244 -9.356 1.00 0.00 C ATOM 1418 C TYR A 91 8.237 -5.851 -8.163 1.00 0.00 C ATOM 1419 O TYR A 91 8.913 -5.149 -7.408 1.00 0.00 O ATOM 1420 CB TYR A 91 8.271 -5.608 -10.638 1.00 0.00 C ATOM 1421 CG TYR A 91 7.834 -4.696 -11.757 1.00 0.00 C ATOM 1422 CD1 TYR A 91 6.523 -4.764 -12.246 1.00 0.00 C ATOM 1423 CD2 TYR A 91 8.740 -3.777 -12.307 1.00 0.00 C ATOM 1424 CE1 TYR A 91 6.118 -3.913 -13.283 1.00 0.00 C ATOM 1425 CE2 TYR A 91 8.333 -2.926 -13.342 1.00 0.00 C ATOM 1426 CZ TYR A 91 7.023 -2.995 -13.829 1.00 0.00 C ATOM 1427 OH TYR A 91 6.624 -2.156 -14.850 1.00 0.00 O ATOM 0 H TYR A 91 8.338 -3.307 -9.371 1.00 0.00 H new ATOM 0 HA TYR A 91 6.506 -5.639 -9.403 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.346 -5.518 -10.481 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.074 -6.647 -10.904 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.825 -5.472 -11.824 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.752 -3.726 -11.932 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.108 -3.965 -13.661 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.030 -2.217 -13.764 1.00 0.00 H new ATOM 0 HH TYR A 91 7.373 -1.581 -15.113 1.00 0.00 H new ATOM 1437 N LEU A 92 8.086 -7.162 -7.996 1.00 0.00 N ATOM 1438 CA LEU A 92 8.722 -7.871 -6.889 1.00 0.00 C ATOM 1439 C LEU A 92 9.523 -9.061 -7.397 1.00 0.00 C ATOM 1440 O LEU A 92 9.000 -9.913 -8.114 1.00 0.00 O ATOM 1441 CB LEU A 92 7.654 -8.347 -5.904 1.00 0.00 C ATOM 1442 CG LEU A 92 8.322 -8.961 -4.660 1.00 0.00 C ATOM 1443 CD1 LEU A 92 7.311 -8.985 -3.509 1.00 0.00 C ATOM 1444 CD2 LEU A 92 8.841 -10.394 -4.956 1.00 0.00 C ATOM 0 H LEU A 92 7.530 -7.755 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 92 9.406 -7.187 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.019 -7.511 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.009 -9.084 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 92 9.181 -8.351 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.777 -9.419 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.988 -7.968 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.448 -9.586 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.308 -10.804 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.006 -11.029 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.573 -10.356 -5.762 1.00 0.00 H new ATOM 1456 N PHE A 93 10.796 -9.119 -7.006 1.00 0.00 N ATOM 1457 CA PHE A 93 11.668 -10.223 -7.418 1.00 0.00 C ATOM 1458 C PHE A 93 12.511 -10.701 -6.241 1.00 0.00 C ATOM 1459 O PHE A 93 12.773 -9.947 -5.304 1.00 0.00 O ATOM 1460 CB PHE A 93 12.594 -9.768 -8.547 1.00 0.00 C ATOM 1461 CG PHE A 93 11.782 -9.094 -9.632 1.00 0.00 C ATOM 1462 CD1 PHE A 93 10.785 -9.810 -10.303 1.00 0.00 C ATOM 1463 CD2 PHE A 93 12.028 -7.755 -9.967 1.00 0.00 C ATOM 1464 CE1 PHE A 93 10.032 -9.189 -11.306 1.00 0.00 C ATOM 1465 CE2 PHE A 93 11.274 -7.136 -10.969 1.00 0.00 C ATOM 1466 CZ PHE A 93 10.276 -7.851 -11.639 1.00 0.00 C ATOM 0 H PHE A 93 11.245 -8.423 -6.411 1.00 0.00 H new ATOM 0 HA PHE A 93 11.041 -11.043 -7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 93 13.344 -9.079 -8.160 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.129 -10.624 -8.958 1.00 0.00 H new ATOM 0 HD1 PHE A 93 10.596 -10.842 -10.047 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.799 -7.202 -9.452 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.262 -9.742 -11.824 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.463 -6.104 -11.226 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.694 -7.372 -12.412 1.00 0.00 H new ATOM 1476 N ASP A 94 12.937 -11.959 -6.299 1.00 0.00 N ATOM 1477 CA ASP A 94 13.758 -12.534 -5.239 1.00 0.00 C ATOM 1478 C ASP A 94 15.227 -12.196 -5.453 1.00 0.00 C ATOM 1479 O ASP A 94 15.577 -11.470 -6.384 1.00 0.00 O ATOM 1480 CB ASP A 94 13.581 -14.050 -5.205 1.00 0.00 C ATOM 1481 CG ASP A 94 13.948 -14.648 -6.559 1.00 0.00 C ATOM 1482 OD1 ASP A 94 14.212 -13.882 -7.471 1.00 0.00 O ATOM 1483 OD2 ASP A 94 13.962 -15.863 -6.665 1.00 0.00 O ATOM 0 H ASP A 94 12.728 -12.598 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 94 13.436 -12.110 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.210 -14.480 -4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.549 -14.299 -4.956 1.00 0.00 H new ATOM 1488 N GLU A 95 16.081 -12.720 -4.582 1.00 0.00 N ATOM 1489 CA GLU A 95 17.513 -12.465 -4.684 1.00 0.00 C ATOM 1490 C GLU A 95 18.107 -13.203 -5.879 1.00 0.00 C ATOM 1491 O GLU A 95 19.144 -13.858 -5.764 1.00 0.00 O ATOM 1492 CB GLU A 95 18.218 -12.916 -3.403 1.00 0.00 C ATOM 1493 CG GLU A 95 17.840 -14.367 -3.097 1.00 0.00 C ATOM 1494 CD GLU A 95 18.626 -14.867 -1.890 1.00 0.00 C ATOM 1495 OE1 GLU A 95 18.817 -14.088 -0.971 1.00 0.00 O ATOM 1496 OE2 GLU A 95 19.021 -16.020 -1.901 1.00 0.00 O ATOM 0 H GLU A 95 15.810 -13.320 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 95 17.661 -11.394 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 95 19.298 -12.827 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 95 17.932 -12.271 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 95 16.770 -14.439 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 95 18.048 -14.996 -3.963 1.00 0.00 H new ATOM 1503 N GLY A 96 17.444 -13.094 -7.027 1.00 0.00 N ATOM 1504 CA GLY A 96 17.914 -13.755 -8.241 1.00 0.00 C ATOM 1505 C GLY A 96 17.343 -13.079 -9.482 1.00 0.00 C ATOM 1506 O GLY A 96 18.075 -12.454 -10.250 1.00 0.00 O ATOM 0 H GLY A 96 16.584 -12.557 -7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.003 -13.729 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.620 -14.805 -8.226 1.00 0.00 H new ATOM 1510 N GLY A 97 16.033 -13.208 -9.672 1.00 0.00 N ATOM 1511 CA GLY A 97 15.376 -12.604 -10.827 1.00 0.00 C ATOM 1512 C GLY A 97 14.034 -13.273 -11.099 1.00 0.00 C ATOM 1513 O GLY A 97 13.161 -12.696 -11.747 1.00 0.00 O ATOM 0 H GLY A 97 15.410 -13.720 -9.047 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.227 -11.539 -10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.017 -12.695 -11.704 1.00 0.00 H new ATOM 1517 N ASP A 98 13.877 -14.493 -10.599 1.00 0.00 N ATOM 1518 CA ASP A 98 12.635 -15.231 -10.792 1.00 0.00 C ATOM 1519 C ASP A 98 11.529 -14.659 -9.914 1.00 0.00 C ATOM 1520 O ASP A 98 11.767 -14.266 -8.771 1.00 0.00 O ATOM 1521 CB ASP A 98 12.849 -16.707 -10.452 1.00 0.00 C ATOM 1522 CG ASP A 98 13.692 -17.378 -11.532 1.00 0.00 C ATOM 1523 OD1 ASP A 98 13.818 -16.803 -12.602 1.00 0.00 O ATOM 1524 OD2 ASP A 98 14.200 -18.456 -11.276 1.00 0.00 O ATOM 0 H ASP A 98 14.588 -14.989 -10.061 1.00 0.00 H new ATOM 0 HA ASP A 98 12.337 -15.138 -11.836 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.344 -16.797 -9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.887 -17.211 -10.366 1.00 0.00 H new ATOM 1529 N GLU A 99 10.316 -14.613 -10.454 1.00 0.00 N ATOM 1530 CA GLU A 99 9.180 -14.087 -9.712 1.00 0.00 C ATOM 1531 C GLU A 99 8.703 -15.104 -8.677 1.00 0.00 C ATOM 1532 O GLU A 99 7.890 -15.977 -8.980 1.00 0.00 O ATOM 1533 CB GLU A 99 8.037 -13.771 -10.678 1.00 0.00 C ATOM 1534 CG GLU A 99 8.357 -12.500 -11.462 1.00 0.00 C ATOM 1535 CD GLU A 99 9.563 -12.740 -12.361 1.00 0.00 C ATOM 1536 OE1 GLU A 99 10.672 -12.598 -11.876 1.00 0.00 O ATOM 1537 OE2 GLU A 99 9.359 -13.063 -13.519 1.00 0.00 O ATOM 0 H GLU A 99 10.096 -14.932 -11.398 1.00 0.00 H new ATOM 0 HA GLU A 99 9.489 -13.177 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.888 -14.605 -11.364 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.106 -13.643 -10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.496 -12.206 -12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.562 -11.679 -10.775 1.00 0.00 H new ATOM 1544 N VAL A 100 9.215 -14.982 -7.455 1.00 0.00 N ATOM 1545 CA VAL A 100 8.837 -15.894 -6.377 1.00 0.00 C ATOM 1546 C VAL A 100 8.781 -15.150 -5.052 1.00 0.00 C ATOM 1547 O VAL A 100 9.463 -14.143 -4.864 1.00 0.00 O ATOM 1548 CB VAL A 100 9.846 -17.035 -6.285 1.00 0.00 C ATOM 1549 CG1 VAL A 100 11.212 -16.483 -5.887 1.00 0.00 C ATOM 1550 CG2 VAL A 100 9.378 -18.047 -5.238 1.00 0.00 C ATOM 0 H VAL A 100 9.889 -14.265 -7.187 1.00 0.00 H new ATOM 0 HA VAL A 100 7.850 -16.302 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 100 9.925 -17.526 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 100 11.930 -17.301 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.546 -15.765 -6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.137 -15.989 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.099 -18.862 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.296 -17.556 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.405 -18.445 -5.526 1.00 0.00 H new ATOM 1560 N ILE A 101 7.960 -15.647 -4.133 1.00 0.00 N ATOM 1561 CA ILE A 101 7.817 -15.018 -2.825 1.00 0.00 C ATOM 1562 C ILE A 101 8.798 -15.628 -1.839 1.00 0.00 C ATOM 1563 O ILE A 101 8.845 -16.847 -1.669 1.00 0.00 O ATOM 1564 CB ILE A 101 6.395 -15.218 -2.308 1.00 0.00 C ATOM 1565 CG1 ILE A 101 5.410 -14.571 -3.280 1.00 0.00 C ATOM 1566 CG2 ILE A 101 6.256 -14.562 -0.929 1.00 0.00 C ATOM 1567 CD1 ILE A 101 3.997 -15.065 -2.974 1.00 0.00 C ATOM 0 H ILE A 101 7.386 -16.479 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 101 8.024 -13.953 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 101 6.182 -16.284 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.455 -13.486 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.679 -14.819 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.241 -14.704 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.962 -15.019 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.466 -13.496 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.293 -14.604 -3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.959 -16.149 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.730 -14.795 -1.952 1.00 0.00 H new ATOM 1579 N ALA A 102 9.579 -14.779 -1.184 1.00 0.00 N ATOM 1580 CA ALA A 102 10.548 -15.260 -0.212 1.00 0.00 C ATOM 1581 C ALA A 102 10.960 -14.130 0.743 1.00 0.00 C ATOM 1582 O ALA A 102 10.909 -12.956 0.379 1.00 0.00 O ATOM 1583 CB ALA A 102 11.785 -15.811 -0.939 1.00 0.00 C ATOM 0 H ALA A 102 9.561 -13.767 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 102 10.090 -16.057 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.508 -16.170 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.488 -16.634 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.237 -15.020 -1.538 1.00 0.00 H new ATOM 1589 N PRO A 103 11.385 -14.458 1.946 1.00 0.00 N ATOM 1590 CA PRO A 103 11.829 -13.434 2.940 1.00 0.00 C ATOM 1591 C PRO A 103 12.790 -12.409 2.324 1.00 0.00 C ATOM 1592 O PRO A 103 12.735 -11.223 2.650 1.00 0.00 O ATOM 1593 CB PRO A 103 12.542 -14.265 4.022 1.00 0.00 C ATOM 1594 CG PRO A 103 11.933 -15.629 3.945 1.00 0.00 C ATOM 1595 CD PRO A 103 11.466 -15.827 2.498 1.00 0.00 C ATOM 0 HA PRO A 103 10.994 -12.847 3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.616 -14.304 3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.400 -13.827 5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 103 12.659 -16.392 4.224 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.095 -15.718 4.637 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.168 -16.441 1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.499 -16.329 2.458 1.00 0.00 H new ATOM 1603 N ARG A 104 13.669 -12.875 1.436 1.00 0.00 N ATOM 1604 CA ARG A 104 14.635 -11.989 0.780 1.00 0.00 C ATOM 1605 C ARG A 104 14.073 -11.479 -0.543 1.00 0.00 C ATOM 1606 O ARG A 104 14.698 -11.627 -1.596 1.00 0.00 O ATOM 1607 CB ARG A 104 15.950 -12.741 0.521 1.00 0.00 C ATOM 1608 CG ARG A 104 15.641 -14.189 0.097 1.00 0.00 C ATOM 1609 CD ARG A 104 15.617 -15.101 1.326 1.00 0.00 C ATOM 1610 NE ARG A 104 16.972 -15.524 1.656 1.00 0.00 N ATOM 1611 CZ ARG A 104 17.218 -16.265 2.729 1.00 0.00 C ATOM 1612 NH1 ARG A 104 16.236 -16.632 3.506 1.00 0.00 N ATOM 1613 NH2 ARG A 104 18.440 -16.626 3.005 1.00 0.00 N ATOM 0 H ARG A 104 13.733 -13.853 1.155 1.00 0.00 H new ATOM 0 HA ARG A 104 14.827 -11.141 1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 104 16.522 -12.237 -0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 104 16.566 -12.738 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.679 -14.229 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 104 16.393 -14.538 -0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.175 -14.574 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 104 14.992 -15.972 1.131 1.00 0.00 H new ATOM 0 HE ARG A 104 17.745 -15.246 1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 104 15.280 -16.349 3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 104 16.424 -17.202 4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.206 -16.339 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 104 18.630 -17.196 3.830 1.00 0.00 H new ATOM 1627 N MET A 105 12.888 -10.882 -0.490 1.00 0.00 N ATOM 1628 CA MET A 105 12.248 -10.355 -1.694 1.00 0.00 C ATOM 1629 C MET A 105 12.382 -8.843 -1.743 1.00 0.00 C ATOM 1630 O MET A 105 12.330 -8.171 -0.711 1.00 0.00 O ATOM 1631 CB MET A 105 10.768 -10.733 -1.705 1.00 0.00 C ATOM 1632 CG MET A 105 10.058 -10.096 -0.508 1.00 0.00 C ATOM 1633 SD MET A 105 9.573 -8.405 -0.937 1.00 0.00 S ATOM 1634 CE MET A 105 8.100 -8.330 0.105 1.00 0.00 C ATOM 0 H MET A 105 12.352 -10.750 0.368 1.00 0.00 H new ATOM 0 HA MET A 105 12.740 -10.786 -2.566 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.305 -10.398 -2.633 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.660 -11.817 -1.668 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.180 -10.682 -0.237 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.717 -10.089 0.360 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.698 -7.317 0.095 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.349 -9.022 -0.276 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.362 -8.606 1.126 1.00 0.00 H new ATOM 1644 N TYR A 106 12.549 -8.311 -2.951 1.00 0.00 N ATOM 1645 CA TYR A 106 12.684 -6.867 -3.143 1.00 0.00 C ATOM 1646 C TYR A 106 11.531 -6.337 -3.982 1.00 0.00 C ATOM 1647 O TYR A 106 11.314 -6.785 -5.113 1.00 0.00 O ATOM 1648 CB TYR A 106 14.015 -6.558 -3.833 1.00 0.00 C ATOM 1649 CG TYR A 106 14.108 -5.073 -4.112 1.00 0.00 C ATOM 1650 CD1 TYR A 106 14.084 -4.153 -3.053 1.00 0.00 C ATOM 1651 CD2 TYR A 106 14.215 -4.612 -5.433 1.00 0.00 C ATOM 1652 CE1 TYR A 106 14.167 -2.782 -3.314 1.00 0.00 C ATOM 1653 CE2 TYR A 106 14.301 -3.241 -5.691 1.00 0.00 C ATOM 1654 CZ TYR A 106 14.275 -2.326 -4.632 1.00 0.00 C ATOM 1655 OH TYR A 106 14.356 -0.972 -4.886 1.00 0.00 O ATOM 0 H TYR A 106 12.594 -8.856 -3.812 1.00 0.00 H new ATOM 0 HA TYR A 106 12.662 -6.378 -2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.846 -6.873 -3.201 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.093 -7.119 -4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.001 -4.504 -2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.231 -5.317 -6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 106 14.148 -2.075 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 106 14.388 -2.887 -6.708 1.00 0.00 H new ATOM 0 HH TYR A 106 14.427 -0.824 -5.852 1.00 0.00 H new ATOM 1665 N CYS A 107 10.790 -5.381 -3.417 1.00 0.00 N ATOM 1666 CA CYS A 107 9.645 -4.780 -4.106 1.00 0.00 C ATOM 1667 C CYS A 107 9.922 -3.320 -4.427 1.00 0.00 C ATOM 1668 O CYS A 107 10.057 -2.489 -3.528 1.00 0.00 O ATOM 1669 CB CYS A 107 8.402 -4.879 -3.222 1.00 0.00 C ATOM 1670 SG CYS A 107 7.074 -3.865 -3.924 1.00 0.00 S ATOM 0 H CYS A 107 10.962 -5.006 -2.484 1.00 0.00 H new ATOM 0 HA CYS A 107 9.478 -5.320 -5.038 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.079 -5.917 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.634 -4.543 -2.211 1.00 0.00 H new ATOM 0 HG CYS A 107 6.017 -3.952 -3.172 1.00 0.00 H new ATOM 1676 N SER A 108 9.993 -3.018 -5.716 1.00 0.00 N ATOM 1677 CA SER A 108 10.243 -1.648 -6.163 1.00 0.00 C ATOM 1678 C SER A 108 10.128 -1.542 -7.681 1.00 0.00 C ATOM 1679 O SER A 108 9.938 -2.543 -8.373 1.00 0.00 O ATOM 1680 CB SER A 108 11.634 -1.194 -5.722 1.00 0.00 C ATOM 1681 OG SER A 108 11.709 0.225 -5.793 1.00 0.00 O ATOM 0 H SER A 108 9.882 -3.696 -6.470 1.00 0.00 H new ATOM 0 HA SER A 108 9.491 -1.002 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.833 -1.530 -4.704 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.395 -1.642 -6.360 1.00 0.00 H new ATOM 0 HG SER A 108 12.599 0.520 -5.509 1.00 0.00 H new ATOM 1687 N PHE A 109 10.249 -0.320 -8.193 1.00 0.00 N ATOM 1688 CA PHE A 109 10.165 -0.089 -9.630 1.00 0.00 C ATOM 1689 C PHE A 109 11.451 -0.539 -10.316 1.00 0.00 C ATOM 1690 O PHE A 109 11.469 -0.792 -11.520 1.00 0.00 O ATOM 1691 CB PHE A 109 9.928 1.396 -9.913 1.00 0.00 C ATOM 1692 CG PHE A 109 11.128 2.194 -9.461 1.00 0.00 C ATOM 1693 CD1 PHE A 109 11.200 2.663 -8.144 1.00 0.00 C ATOM 1694 CD2 PHE A 109 12.168 2.462 -10.359 1.00 0.00 C ATOM 1695 CE1 PHE A 109 12.313 3.403 -7.725 1.00 0.00 C ATOM 1696 CE2 PHE A 109 13.280 3.201 -9.938 1.00 0.00 C ATOM 1697 CZ PHE A 109 13.351 3.672 -8.622 1.00 0.00 C ATOM 0 H PHE A 109 10.405 0.521 -7.637 1.00 0.00 H new ATOM 0 HA PHE A 109 9.330 -0.668 -10.023 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.755 1.551 -10.978 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.034 1.738 -9.392 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.398 2.454 -7.451 1.00 0.00 H new ATOM 0 HD2 PHE A 109 12.113 2.099 -11.375 1.00 0.00 H new ATOM 0 HE1 PHE A 109 12.369 3.766 -6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 109 14.084 3.408 -10.629 1.00 0.00 H new ATOM 0 HZ PHE A 109 14.208 4.244 -8.299 1.00 0.00 H new ATOM 1707 N SER A 110 12.525 -0.638 -9.538 1.00 0.00 N ATOM 1708 CA SER A 110 13.810 -1.062 -10.080 1.00 0.00 C ATOM 1709 C SER A 110 13.785 -2.554 -10.390 1.00 0.00 C ATOM 1710 O SER A 110 13.204 -3.343 -9.643 1.00 0.00 O ATOM 1711 CB SER A 110 14.930 -0.758 -9.083 1.00 0.00 C ATOM 1712 OG SER A 110 15.225 0.632 -9.126 1.00 0.00 O ATOM 0 H SER A 110 12.531 -0.432 -8.539 1.00 0.00 H new ATOM 0 HA SER A 110 13.997 -0.512 -11.002 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.627 -1.047 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.819 -1.339 -9.327 1.00 0.00 H new ATOM 0 HG SER A 110 14.428 1.127 -9.409 1.00 0.00 H new ATOM 1718 N ALA A 111 14.414 -2.935 -11.498 1.00 0.00 N ATOM 1719 CA ALA A 111 14.455 -4.341 -11.907 1.00 0.00 C ATOM 1720 C ALA A 111 15.778 -4.986 -11.476 1.00 0.00 C ATOM 1721 O ALA A 111 16.699 -4.298 -11.035 1.00 0.00 O ATOM 1722 CB ALA A 111 14.279 -4.448 -13.441 1.00 0.00 C ATOM 0 H ALA A 111 14.900 -2.297 -12.127 1.00 0.00 H new ATOM 0 HA ALA A 111 13.639 -4.873 -11.419 1.00 0.00 H new ATOM 0 HB1 ALA A 111 14.310 -5.496 -13.739 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.319 -4.018 -13.728 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.083 -3.905 -13.938 1.00 0.00 H new ATOM 1728 N PRO A 112 15.888 -6.287 -11.604 1.00 0.00 N ATOM 1729 CA PRO A 112 17.127 -7.032 -11.228 1.00 0.00 C ATOM 1730 C PRO A 112 18.376 -6.443 -11.890 1.00 0.00 C ATOM 1731 O PRO A 112 19.424 -6.313 -11.256 1.00 0.00 O ATOM 1732 CB PRO A 112 16.864 -8.462 -11.737 1.00 0.00 C ATOM 1733 CG PRO A 112 15.376 -8.586 -11.800 1.00 0.00 C ATOM 1734 CD PRO A 112 14.843 -7.190 -12.120 1.00 0.00 C ATOM 0 HA PRO A 112 17.322 -6.985 -10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 112 17.315 -8.621 -12.717 1.00 0.00 H new ATOM 0 HB3 PRO A 112 17.293 -9.205 -11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.077 -9.301 -12.566 1.00 0.00 H new ATOM 0 HG3 PRO A 112 14.975 -8.948 -10.853 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.691 -7.056 -13.191 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.883 -7.008 -11.637 1.00 0.00 H new ATOM 1742 N ASP A 113 18.252 -6.089 -13.171 1.00 0.00 N ATOM 1743 CA ASP A 113 19.375 -5.514 -13.916 1.00 0.00 C ATOM 1744 C ASP A 113 19.288 -3.995 -13.920 1.00 0.00 C ATOM 1745 O ASP A 113 19.424 -3.357 -14.964 1.00 0.00 O ATOM 1746 CB ASP A 113 19.363 -6.029 -15.356 1.00 0.00 C ATOM 1747 CG ASP A 113 20.586 -5.508 -16.104 1.00 0.00 C ATOM 1748 OD1 ASP A 113 21.305 -4.707 -15.531 1.00 0.00 O ATOM 1749 OD2 ASP A 113 20.782 -5.914 -17.237 1.00 0.00 O ATOM 0 H ASP A 113 17.392 -6.189 -13.711 1.00 0.00 H new ATOM 0 HA ASP A 113 20.303 -5.814 -13.430 1.00 0.00 H new ATOM 0 HB2 ASP A 113 19.360 -7.119 -15.362 1.00 0.00 H new ATOM 0 HB3 ASP A 113 18.452 -5.705 -15.860 1.00 0.00 H new ATOM 1754 N ASP A 114 19.066 -3.420 -12.743 1.00 0.00 N ATOM 1755 CA ASP A 114 18.969 -1.970 -12.620 1.00 0.00 C ATOM 1756 C ASP A 114 20.156 -1.294 -13.299 1.00 0.00 C ATOM 1757 O ASP A 114 19.925 -0.443 -14.143 1.00 0.00 O ATOM 1758 CB ASP A 114 18.933 -1.571 -11.144 1.00 0.00 C ATOM 1759 CG ASP A 114 18.732 -0.065 -11.015 1.00 0.00 C ATOM 1760 OD1 ASP A 114 18.764 0.606 -12.034 1.00 0.00 O ATOM 1761 OD2 ASP A 114 18.547 0.396 -9.900 1.00 0.00 O ATOM 0 H ASP A 114 18.951 -3.930 -11.867 1.00 0.00 H new ATOM 0 HA ASP A 114 18.050 -1.645 -13.108 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.126 -2.099 -10.636 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.863 -1.865 -10.657 1.00 0.00 H new