USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 438 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 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 GLN :FLIP amide:sc= -0.694 F(o=-1.5!,f=-0.69) USER MOD Single : A 165 GLN : amide:sc= 1.17 K(o=1.2,f=-0.037) USER MOD Single : A 171 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0123) USER MOD Single : A 173 LYS NZ :NH3+ 152:sc= 0.835 (180deg=-0.636!) USER MOD Single : A 179 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.7) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 185 GLN : amide:sc= -0.629 K(o=-0.63,f=-1.5!) USER MOD Single : A 186 GLN :FLIP amide:sc= -0.189 F(o=-2.4,f=-0.19) USER MOD Single : A 188 SER OG : rot -165:sc= 1.15 USER MOD Single : A 189 ASN : amide:sc= 0.778 K(o=0.78,f=-0.089) USER MOD Single : A 191 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 197 GLN :FLIP amide:sc= -0.786 F(o=-2.2!,f=-0.79) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 205 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.55) USER MOD Single : A 206 GLN : amide:sc= 0.538 K(o=0.54,f=0) USER MOD Single : A 208 HIS : no HE2:sc= 0.199 K(o=0.2,f=-0.71) USER MOD Single : A 212 THR OG1 : rot 95:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 293 N LEU A 159 7.686 -3.353 -2.625 1.00 0.00 N ATOM 294 CA LEU A 159 8.747 -2.383 -2.721 1.00 0.00 C ATOM 295 C LEU A 159 10.099 -3.051 -2.561 1.00 0.00 C ATOM 296 O LEU A 159 11.078 -2.622 -3.157 1.00 0.00 O ATOM 297 CB LEU A 159 8.558 -1.267 -1.692 1.00 0.00 C ATOM 298 CG LEU A 159 9.581 -0.123 -1.741 1.00 0.00 C ATOM 299 CD1 LEU A 159 9.615 0.523 -3.122 1.00 0.00 C ATOM 300 CD2 LEU A 159 9.234 0.909 -0.706 1.00 0.00 C ATOM 0 HA LEU A 159 8.710 -1.932 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 159 7.563 -0.843 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 159 8.586 -1.710 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 159 10.568 -0.535 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 159 10.348 1.330 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 159 9.891 -0.224 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 159 8.630 0.925 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 159 9.961 1.720 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 159 8.239 1.305 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 159 9.250 0.452 0.283 1.00 0.00 H new ATOM 312 N LEU A 160 10.139 -4.144 -1.806 1.00 0.00 N ATOM 313 CA LEU A 160 11.390 -4.880 -1.555 1.00 0.00 C ATOM 314 C LEU A 160 12.022 -5.401 -2.853 1.00 0.00 C ATOM 315 O LEU A 160 13.232 -5.581 -2.944 1.00 0.00 O ATOM 316 CB LEU A 160 11.228 -6.034 -0.527 1.00 0.00 C ATOM 317 CG LEU A 160 10.390 -7.276 -0.929 1.00 0.00 C ATOM 318 CD1 LEU A 160 10.512 -8.347 0.139 1.00 0.00 C ATOM 319 CD2 LEU A 160 8.915 -6.940 -1.131 1.00 0.00 C ATOM 0 H LEU A 160 9.320 -4.547 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 160 12.068 -4.151 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 160 12.226 -6.381 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 160 10.784 -5.613 0.375 1.00 0.00 H new ATOM 0 HG LEU A 160 10.785 -7.636 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 160 9.921 -9.217 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 160 11.557 -8.637 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 160 10.145 -7.957 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 160 8.371 -7.842 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 160 8.503 -6.541 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 160 8.816 -6.197 -1.922 1.00 0.00 H new ATOM 331 N ARG A 161 11.203 -5.606 -3.857 1.00 0.00 N ATOM 332 CA ARG A 161 11.685 -6.054 -5.149 1.00 0.00 C ATOM 333 C ARG A 161 12.399 -4.904 -5.874 1.00 0.00 C ATOM 334 O ARG A 161 13.362 -5.108 -6.576 1.00 0.00 O ATOM 335 CB ARG A 161 10.523 -6.601 -5.995 1.00 0.00 C ATOM 336 CG ARG A 161 9.468 -5.571 -6.356 1.00 0.00 C ATOM 337 CD ARG A 161 8.272 -6.216 -7.000 1.00 0.00 C ATOM 338 NE ARG A 161 7.251 -5.242 -7.409 1.00 0.00 N ATOM 339 CZ ARG A 161 6.084 -5.558 -7.984 1.00 0.00 C ATOM 340 NH1 ARG A 161 5.785 -6.828 -8.244 1.00 0.00 N ATOM 341 NH2 ARG A 161 5.221 -4.604 -8.302 1.00 0.00 N ATOM 0 H ARG A 161 10.193 -5.470 -3.807 1.00 0.00 H new ATOM 0 HA ARG A 161 12.401 -6.862 -4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 161 10.928 -7.026 -6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 161 10.046 -7.416 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.156 -5.037 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 161 9.895 -4.833 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 161 8.597 -6.783 -7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 161 7.830 -6.928 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 161 7.445 -4.254 -7.243 1.00 0.00 H new ATOM 0 HH11 ARG A 161 6.446 -7.567 -8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 161 4.894 -7.063 -8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 161 5.446 -3.628 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 161 4.332 -4.846 -8.740 1.00 0.00 H new ATOM 355 N THR A 162 11.929 -3.703 -5.662 1.00 0.00 N ATOM 356 CA THR A 162 12.483 -2.535 -6.304 1.00 0.00 C ATOM 357 C THR A 162 13.671 -1.996 -5.507 1.00 0.00 C ATOM 358 O THR A 162 14.640 -1.507 -6.067 1.00 0.00 O ATOM 359 CB THR A 162 11.410 -1.454 -6.401 1.00 0.00 C ATOM 360 OG1 THR A 162 10.213 -2.044 -6.936 1.00 0.00 O ATOM 361 CG2 THR A 162 11.878 -0.321 -7.303 1.00 0.00 C ATOM 0 H THR A 162 11.148 -3.504 -5.037 1.00 0.00 H new ATOM 0 HA THR A 162 12.825 -2.813 -7.301 1.00 0.00 H new ATOM 0 HB THR A 162 11.214 -1.043 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 162 9.513 -1.361 -7.003 1.00 0.00 H new ATOM 0 HG21 THR A 162 11.102 0.442 -7.362 1.00 0.00 H new ATOM 0 HG22 THR A 162 12.788 0.118 -6.893 1.00 0.00 H new ATOM 0 HG23 THR A 162 12.080 -0.710 -8.301 1.00 0.00 H new ATOM 369 N VAL A 163 13.584 -2.130 -4.203 1.00 0.00 N ATOM 370 CA VAL A 163 14.575 -1.617 -3.279 1.00 0.00 C ATOM 371 C VAL A 163 15.945 -2.323 -3.481 1.00 0.00 C ATOM 372 O VAL A 163 16.996 -1.782 -3.162 1.00 0.00 O ATOM 373 CB VAL A 163 14.063 -1.708 -1.808 1.00 0.00 C ATOM 374 CG1 VAL A 163 14.378 -3.033 -1.125 1.00 0.00 C ATOM 375 CG2 VAL A 163 14.499 -0.518 -0.990 1.00 0.00 C ATOM 0 H VAL A 163 12.808 -2.608 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 163 14.735 -0.560 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 163 12.975 -1.678 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 163 13.990 -3.019 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 163 13.912 -3.848 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 163 15.457 -3.182 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 163 14.123 -0.619 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 163 15.588 -0.469 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 163 14.102 0.394 -1.435 1.00 0.00 H new ATOM 385 N GLN A 164 15.903 -3.533 -3.997 1.00 0.00 N ATOM 386 CA GLN A 164 17.112 -4.291 -4.290 1.00 0.00 C ATOM 387 C GLN A 164 17.629 -3.968 -5.702 1.00 0.00 C ATOM 388 O GLN A 164 18.708 -4.396 -6.094 1.00 0.00 O ATOM 389 CB GLN A 164 16.851 -5.786 -4.148 1.00 0.00 C ATOM 390 CG GLN A 164 15.866 -6.322 -5.150 1.00 0.00 C ATOM 391 CD GLN A 164 15.561 -7.783 -4.959 1.00 0.00 C ATOM 392 OE1 GLN A 164 14.552 -8.066 -4.178 1.00 0.00 O flip ATOM 393 NE2 GLN A 164 16.229 -8.655 -5.519 1.00 0.00 N flip ATOM 0 H GLN A 164 15.037 -4.021 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 164 17.879 -4.002 -3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 164 17.794 -6.323 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 164 16.481 -5.988 -3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 164 14.940 -5.752 -5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 164 16.260 -6.168 -6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 164 17.009 -8.392 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 164 16.001 -9.640 -5.380 1.00 0.00 H new ATOM 402 N GLN A 165 16.843 -3.210 -6.460 1.00 0.00 N ATOM 403 CA GLN A 165 17.193 -2.850 -7.824 1.00 0.00 C ATOM 404 C GLN A 165 17.679 -1.414 -7.873 1.00 0.00 C ATOM 405 O GLN A 165 17.834 -0.828 -8.949 1.00 0.00 O ATOM 406 CB GLN A 165 15.997 -3.044 -8.764 1.00 0.00 C ATOM 407 CG GLN A 165 15.596 -4.496 -8.977 1.00 0.00 C ATOM 408 CD GLN A 165 14.383 -4.637 -9.876 1.00 0.00 C ATOM 409 OE1 GLN A 165 14.500 -4.716 -11.104 1.00 0.00 O ATOM 410 NE2 GLN A 165 13.224 -4.727 -9.292 1.00 0.00 N ATOM 0 H GLN A 165 15.950 -2.831 -6.145 1.00 0.00 H new ATOM 0 HA GLN A 165 17.996 -3.506 -8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 165 15.143 -2.499 -8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 165 16.234 -2.599 -9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 165 16.433 -5.041 -9.414 1.00 0.00 H new ATOM 0 HG3 GLN A 165 15.385 -4.957 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 165 13.158 -4.658 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 165 12.381 -4.866 -9.850 1.00 0.00 H new ATOM 419 N ILE A 166 17.933 -0.860 -6.709 1.00 0.00 N ATOM 420 CA ILE A 166 18.426 0.492 -6.601 1.00 0.00 C ATOM 421 C ILE A 166 19.879 0.528 -7.047 1.00 0.00 C ATOM 422 O ILE A 166 20.709 -0.255 -6.551 1.00 0.00 O ATOM 423 CB ILE A 166 18.336 1.023 -5.142 1.00 0.00 C ATOM 424 CG1 ILE A 166 16.898 1.009 -4.654 1.00 0.00 C ATOM 425 CG2 ILE A 166 18.926 2.435 -5.025 1.00 0.00 C ATOM 426 CD1 ILE A 166 16.743 1.413 -3.197 1.00 0.00 C ATOM 0 H ILE A 166 17.804 -1.333 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 166 17.808 1.128 -7.235 1.00 0.00 H new ATOM 0 HB ILE A 166 18.925 0.358 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 166 16.307 1.683 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 166 16.487 0.009 -4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 166 18.848 2.778 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 166 19.974 2.417 -5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 166 18.375 3.114 -5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 166 15.689 1.379 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 166 17.306 0.725 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 166 17.123 2.425 -3.058 1.00 0.00 H new ATOM 438 N PRO A 167 20.215 1.396 -7.999 1.00 0.00 N ATOM 439 CA PRO A 167 21.584 1.545 -8.438 1.00 0.00 C ATOM 440 C PRO A 167 22.420 2.094 -7.291 1.00 0.00 C ATOM 441 O PRO A 167 22.042 3.081 -6.638 1.00 0.00 O ATOM 442 CB PRO A 167 21.490 2.549 -9.589 1.00 0.00 C ATOM 443 CG PRO A 167 20.231 3.294 -9.338 1.00 0.00 C ATOM 444 CD PRO A 167 19.296 2.310 -8.709 1.00 0.00 C ATOM 0 HA PRO A 167 22.053 0.612 -8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 167 22.350 3.218 -9.602 1.00 0.00 H new ATOM 0 HB3 PRO A 167 21.465 2.043 -10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 167 20.404 4.145 -8.680 1.00 0.00 H new ATOM 0 HG3 PRO A 167 19.818 3.688 -10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 167 18.598 2.794 -8.026 1.00 0.00 H new ATOM 0 HD3 PRO A 167 18.699 1.785 -9.455 1.00 0.00 H new ATOM 452 N GLY A 168 23.500 1.436 -7.013 1.00 0.00 N ATOM 453 CA GLY A 168 24.333 1.821 -5.919 1.00 0.00 C ATOM 454 C GLY A 168 24.378 0.743 -4.864 1.00 0.00 C ATOM 455 O GLY A 168 25.375 0.593 -4.169 1.00 0.00 O ATOM 0 H GLY A 168 23.828 0.622 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 168 25.342 2.023 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 168 23.959 2.747 -5.482 1.00 0.00 H new ATOM 459 N VAL A 169 23.297 -0.027 -4.759 1.00 0.00 N ATOM 460 CA VAL A 169 23.214 -1.114 -3.771 1.00 0.00 C ATOM 461 C VAL A 169 24.236 -2.199 -4.087 1.00 0.00 C ATOM 462 O VAL A 169 25.059 -2.573 -3.242 1.00 0.00 O ATOM 463 CB VAL A 169 21.782 -1.737 -3.707 1.00 0.00 C ATOM 464 CG1 VAL A 169 21.735 -2.930 -2.760 1.00 0.00 C ATOM 465 CG2 VAL A 169 20.778 -0.701 -3.257 1.00 0.00 C ATOM 0 H VAL A 169 22.466 0.077 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 169 23.434 -0.681 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 169 21.530 -2.081 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 169 20.725 -3.339 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 169 22.429 -3.696 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 169 22.017 -2.610 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 169 19.785 -1.150 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 169 21.051 -0.336 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 169 20.772 0.130 -3.962 1.00 0.00 H new ATOM 475 N GLY A 170 24.211 -2.660 -5.310 1.00 0.00 N ATOM 476 CA GLY A 170 25.113 -3.687 -5.711 1.00 0.00 C ATOM 477 C GLY A 170 24.429 -5.021 -5.763 1.00 0.00 C ATOM 478 O GLY A 170 24.639 -5.864 -4.909 1.00 0.00 O ATOM 0 H GLY A 170 23.574 -2.336 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 170 25.526 -3.449 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 170 25.950 -3.732 -5.014 1.00 0.00 H new ATOM 482 N LYS A 171 23.629 -5.227 -6.792 1.00 0.00 N ATOM 483 CA LYS A 171 22.853 -6.457 -6.937 1.00 0.00 C ATOM 484 C LYS A 171 23.735 -7.635 -7.336 1.00 0.00 C ATOM 485 O LYS A 171 23.338 -8.789 -7.236 1.00 0.00 O ATOM 486 CB LYS A 171 21.698 -6.260 -7.923 1.00 0.00 C ATOM 487 CG LYS A 171 22.115 -5.961 -9.360 1.00 0.00 C ATOM 488 CD LYS A 171 20.929 -5.522 -10.220 1.00 0.00 C ATOM 489 CE LYS A 171 19.835 -6.588 -10.328 1.00 0.00 C ATOM 490 NZ LYS A 171 20.302 -7.819 -11.002 1.00 0.00 N ATOM 0 H LYS A 171 23.495 -4.556 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 171 22.424 -6.696 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 171 21.081 -7.159 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 171 21.072 -5.443 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 171 22.874 -5.179 -9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 171 22.571 -6.849 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 171 20.501 -4.612 -9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 171 21.286 -5.274 -11.220 1.00 0.00 H new ATOM 0 HE2 LYS A 171 19.478 -6.839 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 171 18.987 -6.178 -10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 19.506 -8.480 -11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 20.681 -7.579 -11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 21.048 -8.266 -10.431 1.00 0.00 H new ATOM 504 N VAL A 172 24.923 -7.336 -7.788 1.00 0.00 N ATOM 505 CA VAL A 172 25.895 -8.369 -8.129 1.00 0.00 C ATOM 506 C VAL A 172 26.679 -8.742 -6.863 1.00 0.00 C ATOM 507 O VAL A 172 27.177 -9.857 -6.710 1.00 0.00 O ATOM 508 CB VAL A 172 26.854 -7.875 -9.242 1.00 0.00 C ATOM 509 CG1 VAL A 172 27.822 -8.970 -9.680 1.00 0.00 C ATOM 510 CG2 VAL A 172 26.049 -7.363 -10.428 1.00 0.00 C ATOM 0 H VAL A 172 25.253 -6.382 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 172 25.376 -9.248 -8.511 1.00 0.00 H new ATOM 0 HB VAL A 172 27.452 -7.059 -8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 172 28.478 -8.585 -10.461 1.00 0.00 H new ATOM 0 HG12 VAL A 172 28.422 -9.288 -8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 172 27.259 -9.820 -10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 172 26.729 -7.017 -11.207 1.00 0.00 H new ATOM 0 HG22 VAL A 172 25.427 -8.168 -10.820 1.00 0.00 H new ATOM 0 HG23 VAL A 172 25.414 -6.537 -10.107 1.00 0.00 H new ATOM 520 N LYS A 173 26.684 -7.809 -5.934 1.00 0.00 N ATOM 521 CA LYS A 173 27.359 -7.924 -4.649 1.00 0.00 C ATOM 522 C LYS A 173 26.326 -8.393 -3.601 1.00 0.00 C ATOM 523 O LYS A 173 26.595 -8.465 -2.403 1.00 0.00 O ATOM 524 CB LYS A 173 27.912 -6.523 -4.312 1.00 0.00 C ATOM 525 CG LYS A 173 28.781 -6.424 -3.072 1.00 0.00 C ATOM 526 CD LYS A 173 29.390 -5.027 -2.918 1.00 0.00 C ATOM 527 CE LYS A 173 28.325 -3.938 -2.841 1.00 0.00 C ATOM 528 NZ LYS A 173 28.915 -2.592 -2.753 1.00 0.00 N ATOM 0 H LYS A 173 26.203 -6.917 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 173 28.176 -8.645 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 173 28.491 -6.170 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 173 27.069 -5.842 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 173 28.186 -6.661 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 173 29.579 -7.165 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 173 30.003 -4.997 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 173 30.052 -4.826 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 173 27.684 -3.996 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 173 27.690 -4.113 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 28.259 -1.898 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 29.089 -2.354 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 29.814 -2.572 -3.276 1.00 0.00 H new ATOM 542 N ALA A 174 25.148 -8.749 -4.104 1.00 0.00 N ATOM 543 CA ALA A 174 24.010 -9.182 -3.298 1.00 0.00 C ATOM 544 C ALA A 174 24.297 -10.388 -2.380 1.00 0.00 C ATOM 545 O ALA A 174 23.918 -10.338 -1.230 1.00 0.00 O ATOM 546 CB ALA A 174 22.771 -9.426 -4.151 1.00 0.00 C ATOM 0 H ALA A 174 24.953 -8.745 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 174 23.812 -8.345 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 174 21.947 -9.747 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 174 22.495 -8.505 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 174 22.983 -10.202 -4.887 1.00 0.00 H new ATOM 552 N PRO A 175 24.957 -11.501 -2.850 1.00 0.00 N ATOM 553 CA PRO A 175 25.261 -12.643 -1.967 1.00 0.00 C ATOM 554 C PRO A 175 26.075 -12.210 -0.767 1.00 0.00 C ATOM 555 O PRO A 175 25.829 -12.648 0.356 1.00 0.00 O ATOM 556 CB PRO A 175 26.085 -13.579 -2.836 1.00 0.00 C ATOM 557 CG PRO A 175 25.718 -13.227 -4.227 1.00 0.00 C ATOM 558 CD PRO A 175 25.424 -11.759 -4.233 1.00 0.00 C ATOM 0 HA PRO A 175 24.354 -13.104 -1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 175 27.152 -13.443 -2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 175 25.857 -14.623 -2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 175 26.531 -13.462 -4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 175 24.849 -13.798 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 175 26.310 -11.172 -4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 175 24.662 -11.504 -4.969 1.00 0.00 H new ATOM 566 N LEU A 176 27.021 -11.340 -1.025 1.00 0.00 N ATOM 567 CA LEU A 176 27.856 -10.748 0.001 1.00 0.00 C ATOM 568 C LEU A 176 27.013 -9.884 0.944 1.00 0.00 C ATOM 569 O LEU A 176 27.166 -9.946 2.162 1.00 0.00 O ATOM 570 CB LEU A 176 28.945 -9.910 -0.662 1.00 0.00 C ATOM 571 CG LEU A 176 29.796 -9.042 0.251 1.00 0.00 C ATOM 572 CD1 LEU A 176 30.606 -9.883 1.228 1.00 0.00 C ATOM 573 CD2 LEU A 176 30.691 -8.154 -0.574 1.00 0.00 C ATOM 0 H LEU A 176 27.239 -11.016 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 176 28.319 -11.538 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 176 29.608 -10.584 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 176 28.473 -9.263 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 176 29.131 -8.415 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 176 31.202 -9.229 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 176 29.930 -10.474 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 176 31.266 -10.550 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 176 31.298 -7.535 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 176 31.342 -8.770 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 176 30.081 -7.514 -1.212 1.00 0.00 H new ATOM 585 N LEU A 177 26.112 -9.101 0.377 1.00 0.00 N ATOM 586 CA LEU A 177 25.222 -8.255 1.162 1.00 0.00 C ATOM 587 C LEU A 177 24.311 -9.107 2.041 1.00 0.00 C ATOM 588 O LEU A 177 24.102 -8.801 3.213 1.00 0.00 O ATOM 589 CB LEU A 177 24.394 -7.339 0.254 1.00 0.00 C ATOM 590 CG LEU A 177 25.182 -6.338 -0.601 1.00 0.00 C ATOM 591 CD1 LEU A 177 24.250 -5.568 -1.514 1.00 0.00 C ATOM 592 CD2 LEU A 177 25.963 -5.381 0.277 1.00 0.00 C ATOM 0 H LEU A 177 25.975 -9.032 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 177 25.834 -7.626 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 177 23.799 -7.964 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 177 23.695 -6.781 0.877 1.00 0.00 H new ATOM 0 HG LEU A 177 25.887 -6.898 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 177 24.827 -4.863 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 177 23.730 -6.263 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 177 23.521 -5.023 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 177 26.514 -4.680 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 177 25.274 -4.831 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 177 26.663 -5.943 0.895 1.00 0.00 H new ATOM 604 N LEU A 178 23.828 -10.211 1.490 1.00 0.00 N ATOM 605 CA LEU A 178 22.965 -11.152 2.212 1.00 0.00 C ATOM 606 C LEU A 178 23.708 -11.898 3.324 1.00 0.00 C ATOM 607 O LEU A 178 23.100 -12.647 4.089 1.00 0.00 O ATOM 608 CB LEU A 178 22.264 -12.150 1.259 1.00 0.00 C ATOM 609 CG LEU A 178 20.895 -11.729 0.659 1.00 0.00 C ATOM 610 CD1 LEU A 178 19.857 -11.559 1.753 1.00 0.00 C ATOM 611 CD2 LEU A 178 20.992 -10.457 -0.170 1.00 0.00 C ATOM 0 H LEU A 178 24.021 -10.486 0.527 1.00 0.00 H new ATOM 0 HA LEU A 178 22.195 -10.543 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 178 22.943 -12.359 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 178 22.121 -13.086 1.799 1.00 0.00 H new ATOM 0 HG LEU A 178 20.585 -12.533 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 178 18.906 -11.264 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 178 19.732 -12.502 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 178 20.186 -10.789 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 178 20.008 -10.206 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 178 21.350 -9.640 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 178 21.687 -10.612 -0.995 1.00 0.00 H new ATOM 623 N GLN A 179 25.013 -11.720 3.401 1.00 0.00 N ATOM 624 CA GLN A 179 25.790 -12.297 4.484 1.00 0.00 C ATOM 625 C GLN A 179 25.749 -11.386 5.699 1.00 0.00 C ATOM 626 O GLN A 179 26.097 -11.791 6.809 1.00 0.00 O ATOM 627 CB GLN A 179 27.238 -12.538 4.059 1.00 0.00 C ATOM 628 CG GLN A 179 27.365 -13.486 2.890 1.00 0.00 C ATOM 629 CD GLN A 179 26.793 -14.857 3.186 1.00 0.00 C ATOM 630 OE1 GLN A 179 26.823 -15.327 4.328 1.00 0.00 O ATOM 631 NE2 GLN A 179 26.250 -15.490 2.187 1.00 0.00 N ATOM 0 H GLN A 179 25.558 -11.181 2.728 1.00 0.00 H new ATOM 0 HA GLN A 179 25.348 -13.260 4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 179 27.696 -11.584 3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 179 27.796 -12.938 4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 179 26.853 -13.062 2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 179 28.416 -13.586 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 179 26.245 -15.068 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 179 25.829 -16.408 2.333 1.00 0.00 H new ATOM 640 N LYS A 180 25.335 -10.161 5.487 1.00 0.00 N ATOM 641 CA LYS A 180 25.236 -9.193 6.559 1.00 0.00 C ATOM 642 C LYS A 180 23.784 -8.858 6.823 1.00 0.00 C ATOM 643 O LYS A 180 23.299 -8.945 7.954 1.00 0.00 O ATOM 644 CB LYS A 180 26.004 -7.905 6.198 1.00 0.00 C ATOM 645 CG LYS A 180 27.528 -8.053 6.103 1.00 0.00 C ATOM 646 CD LYS A 180 28.158 -8.464 7.440 1.00 0.00 C ATOM 647 CE LYS A 180 27.985 -7.392 8.524 1.00 0.00 C ATOM 648 NZ LYS A 180 28.466 -7.856 9.846 1.00 0.00 N ATOM 0 H LYS A 180 25.058 -9.805 4.572 1.00 0.00 H new ATOM 0 HA LYS A 180 25.677 -9.628 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 180 25.631 -7.536 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 180 25.776 -7.144 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 180 27.772 -8.797 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 180 27.963 -7.109 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 180 27.706 -9.396 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 180 29.220 -8.660 7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 180 28.530 -6.493 8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 180 26.933 -7.117 8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 28.331 -7.102 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 27.929 -8.699 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 29.476 -8.094 9.784 1.00 0.00 H new ATOM 662 N PHE A 181 23.094 -8.523 5.775 1.00 0.00 N ATOM 663 CA PHE A 181 21.714 -8.125 5.847 1.00 0.00 C ATOM 664 C PHE A 181 20.824 -9.358 5.736 1.00 0.00 C ATOM 665 O PHE A 181 21.108 -10.254 4.938 1.00 0.00 O ATOM 666 CB PHE A 181 21.402 -7.136 4.720 1.00 0.00 C ATOM 667 CG PHE A 181 22.299 -5.922 4.714 1.00 0.00 C ATOM 668 CD1 PHE A 181 22.035 -4.848 5.532 1.00 0.00 C ATOM 669 CD2 PHE A 181 23.408 -5.865 3.885 1.00 0.00 C ATOM 670 CE1 PHE A 181 22.858 -3.739 5.530 1.00 0.00 C ATOM 671 CE2 PHE A 181 24.232 -4.764 3.876 1.00 0.00 C ATOM 672 CZ PHE A 181 23.957 -3.696 4.701 1.00 0.00 C ATOM 0 H PHE A 181 23.477 -8.517 4.830 1.00 0.00 H new ATOM 0 HA PHE A 181 21.522 -7.636 6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 181 21.493 -7.649 3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 181 20.366 -6.811 4.810 1.00 0.00 H new ATOM 0 HD1 PHE A 181 21.174 -4.872 6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 181 23.629 -6.699 3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 181 22.640 -2.904 6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 181 25.092 -4.737 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 181 24.600 -2.829 4.698 1.00 0.00 H new ATOM 682 N PRO A 182 19.744 -9.426 6.538 1.00 0.00 N ATOM 683 CA PRO A 182 18.852 -10.590 6.562 1.00 0.00 C ATOM 684 C PRO A 182 18.138 -10.799 5.231 1.00 0.00 C ATOM 685 O PRO A 182 18.125 -11.907 4.685 1.00 0.00 O ATOM 686 CB PRO A 182 17.850 -10.273 7.678 1.00 0.00 C ATOM 687 CG PRO A 182 17.936 -8.797 7.888 1.00 0.00 C ATOM 688 CD PRO A 182 19.324 -8.384 7.495 1.00 0.00 C ATOM 0 HA PRO A 182 19.402 -11.515 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 182 16.840 -10.570 7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 182 18.097 -10.814 8.592 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.192 -8.277 7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.737 -8.542 8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 182 19.333 -7.394 7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 182 19.988 -8.342 8.358 1.00 0.00 H new ATOM 696 N SER A 183 17.565 -9.743 4.720 1.00 0.00 N ATOM 697 CA SER A 183 16.886 -9.755 3.466 1.00 0.00 C ATOM 698 C SER A 183 17.064 -8.387 2.853 1.00 0.00 C ATOM 699 O SER A 183 17.484 -7.448 3.554 1.00 0.00 O ATOM 700 CB SER A 183 15.388 -10.051 3.656 1.00 0.00 C ATOM 701 OG SER A 183 15.178 -11.264 4.364 1.00 0.00 O ATOM 0 H SER A 183 17.561 -8.833 5.180 1.00 0.00 H new ATOM 0 HA SER A 183 17.295 -10.534 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 183 14.920 -9.228 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 183 14.902 -10.109 2.682 1.00 0.00 H new ATOM 0 HG SER A 183 14.216 -11.420 4.468 1.00 0.00 H new ATOM 707 N ILE A 184 16.735 -8.259 1.581 1.00 0.00 N ATOM 708 CA ILE A 184 16.874 -6.993 0.849 1.00 0.00 C ATOM 709 C ILE A 184 16.033 -5.859 1.450 1.00 0.00 C ATOM 710 O ILE A 184 16.372 -4.689 1.306 1.00 0.00 O ATOM 711 CB ILE A 184 16.535 -7.113 -0.662 1.00 0.00 C ATOM 712 CG1 ILE A 184 15.023 -7.387 -0.944 1.00 0.00 C ATOM 713 CG2 ILE A 184 17.422 -8.155 -1.338 1.00 0.00 C ATOM 714 CD1 ILE A 184 14.456 -8.694 -0.414 1.00 0.00 C ATOM 0 H ILE A 184 16.363 -9.024 1.018 1.00 0.00 H new ATOM 0 HA ILE A 184 17.931 -6.747 0.951 1.00 0.00 H new ATOM 0 HB ILE A 184 16.746 -6.137 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 184 14.444 -6.567 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 184 14.868 -7.361 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 184 17.165 -8.220 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 184 18.468 -7.864 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 184 17.267 -9.125 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 184 13.400 -8.765 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 184 14.996 -9.531 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 184 14.565 -8.725 0.670 1.00 0.00 H new ATOM 726 N GLN A 185 14.963 -6.227 2.136 1.00 0.00 N ATOM 727 CA GLN A 185 14.051 -5.278 2.735 1.00 0.00 C ATOM 728 C GLN A 185 14.780 -4.410 3.767 1.00 0.00 C ATOM 729 O GLN A 185 14.742 -3.178 3.683 1.00 0.00 O ATOM 730 CB GLN A 185 12.856 -6.035 3.344 1.00 0.00 C ATOM 731 CG GLN A 185 11.760 -5.169 3.968 1.00 0.00 C ATOM 732 CD GLN A 185 11.188 -4.129 3.015 1.00 0.00 C ATOM 733 OE1 GLN A 185 10.246 -4.396 2.266 1.00 0.00 O ATOM 734 NE2 GLN A 185 11.709 -2.931 3.074 1.00 0.00 N ATOM 0 H GLN A 185 14.705 -7.201 2.292 1.00 0.00 H new ATOM 0 HA GLN A 185 13.666 -4.601 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 185 12.406 -6.650 2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 185 13.233 -6.715 4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 185 10.953 -5.814 4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 185 12.164 -4.663 4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 185 12.488 -2.744 3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 185 11.336 -2.183 2.489 1.00 0.00 H new ATOM 743 N GLN A 186 15.481 -5.045 4.698 1.00 0.00 N ATOM 744 CA GLN A 186 16.228 -4.296 5.703 1.00 0.00 C ATOM 745 C GLN A 186 17.521 -3.806 5.094 1.00 0.00 C ATOM 746 O GLN A 186 18.034 -2.816 5.507 1.00 0.00 O ATOM 747 CB GLN A 186 16.523 -5.174 6.932 1.00 0.00 C ATOM 748 CG GLN A 186 16.974 -4.429 8.218 1.00 0.00 C ATOM 749 CD GLN A 186 18.443 -3.988 8.262 1.00 0.00 C ATOM 750 OE1 GLN A 186 19.322 -4.774 7.695 1.00 0.00 O flip ATOM 751 NE2 GLN A 186 18.778 -2.957 8.860 1.00 0.00 N flip ATOM 0 H GLN A 186 15.549 -6.060 4.779 1.00 0.00 H new ATOM 0 HA GLN A 186 15.629 -3.446 6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 186 15.626 -5.748 7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 186 17.299 -5.891 6.662 1.00 0.00 H new ATOM 0 HG2 GLN A 186 16.347 -3.546 8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 186 16.784 -5.076 9.074 1.00 0.00 H new ATOM 0 HE21 GLN A 186 18.069 -2.365 9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 186 19.763 -2.700 8.921 1.00 0.00 H new ATOM 760 N LEU A 187 18.016 -4.530 4.091 1.00 0.00 N ATOM 761 CA LEU A 187 19.291 -4.223 3.425 1.00 0.00 C ATOM 762 C LEU A 187 19.313 -2.776 2.972 1.00 0.00 C ATOM 763 O LEU A 187 20.121 -1.997 3.434 1.00 0.00 O ATOM 764 CB LEU A 187 19.486 -5.181 2.219 1.00 0.00 C ATOM 765 CG LEU A 187 20.875 -5.283 1.525 1.00 0.00 C ATOM 766 CD1 LEU A 187 20.842 -6.394 0.494 1.00 0.00 C ATOM 767 CD2 LEU A 187 21.301 -3.984 0.848 1.00 0.00 C ATOM 0 H LEU A 187 17.545 -5.351 3.712 1.00 0.00 H new ATOM 0 HA LEU A 187 20.111 -4.368 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 187 19.216 -6.183 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 187 18.762 -4.894 1.456 1.00 0.00 H new ATOM 0 HG LEU A 187 21.606 -5.495 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 187 21.814 -6.467 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 187 20.610 -7.339 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 187 20.078 -6.176 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 187 22.277 -4.119 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 187 20.570 -3.714 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 187 21.361 -3.189 1.591 1.00 0.00 H new ATOM 779 N SER A 188 18.409 -2.428 2.107 1.00 0.00 N ATOM 780 CA SER A 188 18.378 -1.089 1.571 1.00 0.00 C ATOM 781 C SER A 188 17.856 -0.064 2.602 1.00 0.00 C ATOM 782 O SER A 188 18.150 1.123 2.521 1.00 0.00 O ATOM 783 CB SER A 188 17.530 -1.094 0.336 1.00 0.00 C ATOM 784 OG SER A 188 17.985 -2.088 -0.582 1.00 0.00 O ATOM 0 H SER A 188 17.680 -3.048 1.753 1.00 0.00 H new ATOM 0 HA SER A 188 19.394 -0.781 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 188 16.491 -1.286 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 188 17.561 -0.113 -0.137 1.00 0.00 H new ATOM 0 HG SER A 188 17.585 -1.928 -1.462 1.00 0.00 H new ATOM 790 N ASN A 189 17.102 -0.547 3.575 1.00 0.00 N ATOM 791 CA ASN A 189 16.554 0.300 4.639 1.00 0.00 C ATOM 792 C ASN A 189 17.480 0.375 5.832 1.00 0.00 C ATOM 793 O ASN A 189 17.108 0.897 6.892 1.00 0.00 O ATOM 794 CB ASN A 189 15.174 -0.174 5.088 1.00 0.00 C ATOM 795 CG ASN A 189 14.062 0.266 4.163 1.00 0.00 C ATOM 796 OD1 ASN A 189 13.481 1.345 4.339 1.00 0.00 O ATOM 797 ND2 ASN A 189 13.735 -0.551 3.195 1.00 0.00 N ATOM 0 H ASN A 189 16.849 -1.532 3.656 1.00 0.00 H new ATOM 0 HA ASN A 189 16.456 1.299 4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 189 15.174 -1.262 5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 189 14.975 0.205 6.090 1.00 0.00 H new ATOM 0 HD21 ASN A 189 12.979 -0.307 2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 189 14.236 -1.432 3.080 1.00 0.00 H new ATOM 804 N ALA A 190 18.652 -0.176 5.681 1.00 0.00 N ATOM 805 CA ALA A 190 19.680 -0.125 6.682 1.00 0.00 C ATOM 806 C ALA A 190 20.181 1.287 6.892 1.00 0.00 C ATOM 807 O ALA A 190 20.007 2.171 6.030 1.00 0.00 O ATOM 808 CB ALA A 190 20.820 -1.052 6.341 1.00 0.00 C ATOM 0 H ALA A 190 18.925 -0.684 4.840 1.00 0.00 H new ATOM 0 HA ALA A 190 19.237 -0.463 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 190 21.583 -0.991 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 190 20.450 -2.075 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 190 21.252 -0.760 5.384 1.00 0.00 H new ATOM 814 N SER A 191 20.738 1.512 8.053 1.00 0.00 N ATOM 815 CA SER A 191 21.269 2.783 8.425 1.00 0.00 C ATOM 816 C SER A 191 22.431 3.154 7.491 1.00 0.00 C ATOM 817 O SER A 191 23.058 2.270 6.874 1.00 0.00 O ATOM 818 CB SER A 191 21.773 2.655 9.846 1.00 0.00 C ATOM 819 OG SER A 191 20.818 1.965 10.634 1.00 0.00 O ATOM 0 H SER A 191 20.834 0.799 8.776 1.00 0.00 H new ATOM 0 HA SER A 191 20.509 3.561 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 191 22.723 2.120 9.858 1.00 0.00 H new ATOM 0 HB3 SER A 191 21.959 3.643 10.266 1.00 0.00 H new ATOM 0 HG SER A 191 21.150 1.883 11.553 1.00 0.00 H new ATOM 825 N ILE A 192 22.723 4.442 7.413 1.00 0.00 N ATOM 826 CA ILE A 192 23.759 4.971 6.528 1.00 0.00 C ATOM 827 C ILE A 192 25.097 4.306 6.780 1.00 0.00 C ATOM 828 O ILE A 192 25.805 4.017 5.851 1.00 0.00 O ATOM 829 CB ILE A 192 23.861 6.531 6.629 1.00 0.00 C ATOM 830 CG1 ILE A 192 22.524 7.178 6.223 1.00 0.00 C ATOM 831 CG2 ILE A 192 25.012 7.100 5.791 1.00 0.00 C ATOM 832 CD1 ILE A 192 22.069 6.836 4.813 1.00 0.00 C ATOM 0 H ILE A 192 22.248 5.157 7.963 1.00 0.00 H new ATOM 0 HA ILE A 192 23.466 4.733 5.505 1.00 0.00 H new ATOM 0 HB ILE A 192 24.078 6.774 7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 192 21.753 6.865 6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 192 22.616 8.261 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 192 25.038 8.185 5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 192 25.956 6.679 6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 192 24.862 6.841 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 192 21.120 7.331 4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 192 22.818 7.174 4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 192 21.942 5.757 4.723 1.00 0.00 H new ATOM 844 N GLY A 193 25.387 3.994 8.027 1.00 0.00 N ATOM 845 CA GLY A 193 26.626 3.321 8.360 1.00 0.00 C ATOM 846 C GLY A 193 26.729 1.936 7.718 1.00 0.00 C ATOM 847 O GLY A 193 27.791 1.538 7.250 1.00 0.00 O ATOM 0 H GLY A 193 24.784 4.195 8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 193 27.467 3.933 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 193 26.703 3.223 9.443 1.00 0.00 H new ATOM 851 N GLU A 194 25.607 1.244 7.629 1.00 0.00 N ATOM 852 CA GLU A 194 25.573 -0.116 7.091 1.00 0.00 C ATOM 853 C GLU A 194 25.669 -0.061 5.582 1.00 0.00 C ATOM 854 O GLU A 194 26.280 -0.903 4.954 1.00 0.00 O ATOM 855 CB GLU A 194 24.273 -0.810 7.473 1.00 0.00 C ATOM 856 CG GLU A 194 23.924 -0.724 8.941 1.00 0.00 C ATOM 857 CD GLU A 194 24.978 -1.329 9.828 1.00 0.00 C ATOM 858 OE1 GLU A 194 24.999 -2.566 9.975 1.00 0.00 O ATOM 859 OE2 GLU A 194 25.792 -0.577 10.399 1.00 0.00 O ATOM 0 H GLU A 194 24.698 1.600 7.923 1.00 0.00 H new ATOM 0 HA GLU A 194 26.413 -0.674 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 194 23.459 -0.374 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 194 24.340 -1.860 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 194 23.781 0.321 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 194 22.975 -1.231 9.114 1.00 0.00 H new ATOM 866 N LEU A 195 25.066 0.939 5.016 1.00 0.00 N ATOM 867 CA LEU A 195 25.105 1.129 3.577 1.00 0.00 C ATOM 868 C LEU A 195 26.452 1.731 3.142 1.00 0.00 C ATOM 869 O LEU A 195 26.904 1.557 1.998 1.00 0.00 O ATOM 870 CB LEU A 195 23.953 2.026 3.142 1.00 0.00 C ATOM 871 CG LEU A 195 22.542 1.509 3.412 1.00 0.00 C ATOM 872 CD1 LEU A 195 21.522 2.577 3.066 1.00 0.00 C ATOM 873 CD2 LEU A 195 22.278 0.252 2.606 1.00 0.00 C ATOM 0 H LEU A 195 24.534 1.647 5.523 1.00 0.00 H new ATOM 0 HA LEU A 195 24.999 0.158 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 195 24.064 2.989 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 195 24.049 2.209 2.072 1.00 0.00 H new ATOM 0 HG LEU A 195 22.454 1.267 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 195 20.519 2.199 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 195 21.701 3.463 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 195 21.612 2.838 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 195 21.268 -0.105 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 195 22.378 0.473 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 195 22.998 -0.517 2.886 1.00 0.00 H new ATOM 885 N GLU A 196 27.112 2.396 4.061 1.00 0.00 N ATOM 886 CA GLU A 196 28.370 3.044 3.775 1.00 0.00 C ATOM 887 C GLU A 196 29.470 2.022 3.848 1.00 0.00 C ATOM 888 O GLU A 196 30.357 2.004 3.016 1.00 0.00 O ATOM 889 CB GLU A 196 28.580 4.227 4.756 1.00 0.00 C ATOM 890 CG GLU A 196 29.777 5.148 4.526 1.00 0.00 C ATOM 891 CD GLU A 196 31.097 4.633 5.034 1.00 0.00 C ATOM 892 OE1 GLU A 196 31.245 4.481 6.262 1.00 0.00 O ATOM 893 OE2 GLU A 196 32.024 4.425 4.219 1.00 0.00 O ATOM 0 H GLU A 196 26.794 2.503 5.024 1.00 0.00 H new ATOM 0 HA GLU A 196 28.375 3.463 2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 196 27.679 4.840 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 196 28.664 3.815 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 196 29.868 5.337 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 196 29.573 6.107 5.003 1.00 0.00 H new ATOM 900 N GLN A 197 29.347 1.114 4.794 1.00 0.00 N ATOM 901 CA GLN A 197 30.345 0.085 5.006 1.00 0.00 C ATOM 902 C GLN A 197 30.415 -0.889 3.826 1.00 0.00 C ATOM 903 O GLN A 197 31.441 -1.528 3.586 1.00 0.00 O ATOM 904 CB GLN A 197 30.080 -0.644 6.327 1.00 0.00 C ATOM 905 CG GLN A 197 28.847 -1.504 6.370 1.00 0.00 C ATOM 906 CD GLN A 197 28.703 -2.248 7.679 1.00 0.00 C ATOM 907 OE1 GLN A 197 28.146 -1.602 8.661 1.00 0.00 O flip ATOM 908 NE2 GLN A 197 29.144 -3.389 7.814 1.00 0.00 N flip ATOM 0 H GLN A 197 28.556 1.068 5.436 1.00 0.00 H new ATOM 0 HA GLN A 197 31.321 0.566 5.071 1.00 0.00 H new ATOM 0 HB2 GLN A 197 30.943 -1.270 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 197 30.008 0.099 7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 197 27.967 -0.880 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 197 28.880 -2.221 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 197 29.575 -3.866 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 197 29.079 -3.857 8.718 1.00 0.00 H new ATOM 917 N VAL A 198 29.343 -0.968 3.073 1.00 0.00 N ATOM 918 CA VAL A 198 29.303 -1.860 1.944 1.00 0.00 C ATOM 919 C VAL A 198 29.574 -1.145 0.638 1.00 0.00 C ATOM 920 O VAL A 198 30.037 -1.755 -0.328 1.00 0.00 O ATOM 921 CB VAL A 198 27.994 -2.653 1.852 1.00 0.00 C ATOM 922 CG1 VAL A 198 27.935 -3.702 2.948 1.00 0.00 C ATOM 923 CG2 VAL A 198 26.795 -1.738 1.958 1.00 0.00 C ATOM 0 H VAL A 198 28.491 -0.427 3.223 1.00 0.00 H new ATOM 0 HA VAL A 198 30.107 -2.575 2.116 1.00 0.00 H new ATOM 0 HB VAL A 198 27.969 -3.145 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 198 27.000 -4.257 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 198 28.775 -4.388 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 198 27.988 -3.214 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 198 25.881 -2.327 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 198 26.819 -1.216 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 198 26.819 -1.011 1.147 1.00 0.00 H new ATOM 933 N VAL A 199 29.232 0.123 0.577 1.00 0.00 N ATOM 934 CA VAL A 199 29.532 0.905 -0.611 1.00 0.00 C ATOM 935 C VAL A 199 30.207 2.217 -0.233 1.00 0.00 C ATOM 936 O VAL A 199 31.426 2.337 -0.326 1.00 0.00 O ATOM 937 CB VAL A 199 28.304 1.240 -1.493 1.00 0.00 C ATOM 938 CG1 VAL A 199 28.734 1.415 -2.943 1.00 0.00 C ATOM 939 CG2 VAL A 199 27.170 0.239 -1.340 1.00 0.00 C ATOM 0 H VAL A 199 28.754 0.632 1.321 1.00 0.00 H new ATOM 0 HA VAL A 199 30.191 0.266 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 199 27.893 2.187 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 199 27.863 1.650 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 199 29.457 2.228 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 199 29.190 0.492 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 199 26.339 0.529 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 199 27.520 -0.753 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 199 26.837 0.223 -0.302 1.00 0.00 H new ATOM 949 N GLY A 200 29.416 3.191 0.194 1.00 0.00 N ATOM 950 CA GLY A 200 29.931 4.493 0.523 1.00 0.00 C ATOM 951 C GLY A 200 28.825 5.382 1.037 1.00 0.00 C ATOM 952 O GLY A 200 27.654 5.070 0.831 1.00 0.00 O ATOM 0 H GLY A 200 28.408 3.093 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 200 30.713 4.402 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 200 30.388 4.943 -0.358 1.00 0.00 H new ATOM 956 N GLN A 201 29.178 6.487 1.666 1.00 0.00 N ATOM 957 CA GLN A 201 28.201 7.412 2.261 1.00 0.00 C ATOM 958 C GLN A 201 27.323 8.101 1.211 1.00 0.00 C ATOM 959 O GLN A 201 26.114 8.219 1.388 1.00 0.00 O ATOM 960 CB GLN A 201 28.898 8.450 3.155 1.00 0.00 C ATOM 961 CG GLN A 201 29.970 9.269 2.456 1.00 0.00 C ATOM 962 CD GLN A 201 30.612 10.276 3.374 1.00 0.00 C ATOM 963 OE1 GLN A 201 30.161 11.414 3.481 1.00 0.00 O ATOM 964 NE2 GLN A 201 31.646 9.876 4.044 1.00 0.00 N ATOM 0 H GLN A 201 30.148 6.779 1.785 1.00 0.00 H new ATOM 0 HA GLN A 201 27.538 6.808 2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 201 28.145 9.128 3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 201 29.348 7.935 4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 201 30.735 8.600 2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 201 29.530 9.787 1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 201 31.991 8.923 3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 201 32.115 10.514 4.687 1.00 0.00 H new ATOM 973 N ALA A 202 27.923 8.490 0.096 1.00 0.00 N ATOM 974 CA ALA A 202 27.210 9.190 -0.975 1.00 0.00 C ATOM 975 C ALA A 202 26.220 8.252 -1.631 1.00 0.00 C ATOM 976 O ALA A 202 25.205 8.663 -2.208 1.00 0.00 O ATOM 977 CB ALA A 202 28.198 9.716 -2.003 1.00 0.00 C ATOM 0 H ALA A 202 28.912 8.333 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 202 26.668 10.034 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 202 27.658 10.235 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 202 28.890 10.408 -1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 202 28.756 8.883 -2.430 1.00 0.00 H new ATOM 983 N VAL A 203 26.517 6.997 -1.520 1.00 0.00 N ATOM 984 CA VAL A 203 25.703 5.957 -2.069 1.00 0.00 C ATOM 985 C VAL A 203 24.592 5.660 -1.094 1.00 0.00 C ATOM 986 O VAL A 203 23.432 5.618 -1.447 1.00 0.00 O ATOM 987 CB VAL A 203 26.512 4.682 -2.242 1.00 0.00 C ATOM 988 CG1 VAL A 203 25.773 3.705 -3.105 1.00 0.00 C ATOM 989 CG2 VAL A 203 27.899 4.983 -2.759 1.00 0.00 C ATOM 0 H VAL A 203 27.348 6.658 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 203 25.319 6.283 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 203 26.642 4.214 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 203 26.367 2.798 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 203 24.819 3.458 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 203 25.595 4.147 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 203 28.455 4.052 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 203 27.827 5.483 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 203 28.418 5.631 -2.053 1.00 0.00 H new ATOM 999 N ALA A 204 24.983 5.514 0.144 1.00 0.00 N ATOM 1000 CA ALA A 204 24.084 5.198 1.255 1.00 0.00 C ATOM 1001 C ALA A 204 22.923 6.178 1.307 1.00 0.00 C ATOM 1002 O ALA A 204 21.765 5.791 1.426 1.00 0.00 O ATOM 1003 CB ALA A 204 24.861 5.246 2.559 1.00 0.00 C ATOM 0 H ALA A 204 25.957 5.611 0.429 1.00 0.00 H new ATOM 0 HA ALA A 204 23.678 4.198 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 204 24.194 5.011 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 204 25.671 4.517 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 204 25.276 6.244 2.699 1.00 0.00 H new ATOM 1009 N GLN A 205 23.255 7.434 1.158 1.00 0.00 N ATOM 1010 CA GLN A 205 22.321 8.508 1.165 1.00 0.00 C ATOM 1011 C GLN A 205 21.349 8.406 0.014 1.00 0.00 C ATOM 1012 O GLN A 205 20.169 8.469 0.228 1.00 0.00 O ATOM 1013 CB GLN A 205 23.065 9.831 1.132 1.00 0.00 C ATOM 1014 CG GLN A 205 23.767 10.194 2.437 1.00 0.00 C ATOM 1015 CD GLN A 205 22.815 10.403 3.607 1.00 0.00 C ATOM 1016 OE1 GLN A 205 23.169 10.152 4.754 1.00 0.00 O ATOM 1017 NE2 GLN A 205 21.628 10.888 3.350 1.00 0.00 N ATOM 0 H GLN A 205 24.219 7.738 1.024 1.00 0.00 H new ATOM 0 HA GLN A 205 21.736 8.451 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 205 23.806 9.797 0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 205 22.360 10.624 0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 205 24.473 9.404 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 205 24.348 11.104 2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 205 21.357 11.089 2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 205 20.974 11.066 4.112 1.00 0.00 H new ATOM 1026 N GLN A 206 21.845 8.179 -1.193 1.00 0.00 N ATOM 1027 CA GLN A 206 20.967 8.124 -2.366 1.00 0.00 C ATOM 1028 C GLN A 206 20.100 6.858 -2.360 1.00 0.00 C ATOM 1029 O GLN A 206 18.993 6.862 -2.888 1.00 0.00 O ATOM 1030 CB GLN A 206 21.752 8.247 -3.678 1.00 0.00 C ATOM 1031 CG GLN A 206 22.722 7.120 -3.929 1.00 0.00 C ATOM 1032 CD GLN A 206 23.524 7.298 -5.177 1.00 0.00 C ATOM 1033 OE1 GLN A 206 23.117 6.872 -6.250 1.00 0.00 O ATOM 1034 NE2 GLN A 206 24.664 7.908 -5.052 1.00 0.00 N ATOM 0 H GLN A 206 22.835 8.031 -1.391 1.00 0.00 H new ATOM 0 HA GLN A 206 20.302 8.986 -2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 206 21.046 8.294 -4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 206 22.301 9.189 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 206 23.399 7.037 -3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 206 22.170 6.182 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 206 24.964 8.247 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 206 25.260 8.048 -5.868 1.00 0.00 H new ATOM 1043 N ILE A 207 20.622 5.789 -1.769 1.00 0.00 N ATOM 1044 CA ILE A 207 19.880 4.536 -1.606 1.00 0.00 C ATOM 1045 C ILE A 207 18.763 4.734 -0.594 1.00 0.00 C ATOM 1046 O ILE A 207 17.595 4.466 -0.875 1.00 0.00 O ATOM 1047 CB ILE A 207 20.795 3.368 -1.110 1.00 0.00 C ATOM 1048 CG1 ILE A 207 21.877 3.036 -2.142 1.00 0.00 C ATOM 1049 CG2 ILE A 207 19.965 2.117 -0.785 1.00 0.00 C ATOM 1050 CD1 ILE A 207 22.878 2.003 -1.658 1.00 0.00 C ATOM 0 H ILE A 207 21.568 5.762 -1.389 1.00 0.00 H new ATOM 0 HA ILE A 207 19.480 4.268 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 207 21.286 3.702 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 207 21.400 2.670 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 207 22.409 3.950 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 207 20.626 1.321 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 207 19.244 2.352 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 207 19.435 1.789 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 207 23.615 1.816 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 207 23.382 2.375 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 207 22.358 1.075 -1.421 1.00 0.00 H new ATOM 1062 N HIS A 208 19.120 5.254 0.564 1.00 0.00 N ATOM 1063 CA HIS A 208 18.171 5.429 1.639 1.00 0.00 C ATOM 1064 C HIS A 208 17.173 6.536 1.263 1.00 0.00 C ATOM 1065 O HIS A 208 16.001 6.502 1.643 1.00 0.00 O ATOM 1066 CB HIS A 208 18.925 5.738 2.949 1.00 0.00 C ATOM 1067 CG HIS A 208 18.122 5.567 4.213 1.00 0.00 C ATOM 1068 ND1 HIS A 208 18.302 4.523 5.110 1.00 0.00 N ATOM 1069 CD2 HIS A 208 17.158 6.351 4.749 1.00 0.00 C ATOM 1070 CE1 HIS A 208 17.468 4.705 6.129 1.00 0.00 C ATOM 1071 NE2 HIS A 208 16.744 5.808 5.963 1.00 0.00 N ATOM 0 H HIS A 208 20.067 5.563 0.782 1.00 0.00 H new ATOM 0 HA HIS A 208 17.602 4.513 1.799 1.00 0.00 H new ATOM 0 HB2 HIS A 208 19.801 5.092 3.005 1.00 0.00 H new ATOM 0 HB3 HIS A 208 19.288 6.765 2.906 1.00 0.00 H new ATOM 0 HD1 HIS A 208 18.960 3.751 5.005 1.00 0.00 H new ATOM 0 HD2 HIS A 208 16.770 7.256 4.305 1.00 0.00 H new ATOM 0 HE1 HIS A 208 17.389 4.044 6.980 1.00 0.00 H new ATOM 1079 N ALA A 209 17.630 7.502 0.491 1.00 0.00 N ATOM 1080 CA ALA A 209 16.738 8.553 0.012 1.00 0.00 C ATOM 1081 C ALA A 209 15.902 8.104 -1.195 1.00 0.00 C ATOM 1082 O ALA A 209 14.928 8.738 -1.522 1.00 0.00 O ATOM 1083 CB ALA A 209 17.502 9.812 -0.334 1.00 0.00 C ATOM 0 H ALA A 209 18.599 7.586 0.182 1.00 0.00 H new ATOM 0 HA ALA A 209 16.054 8.769 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 209 16.807 10.574 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 209 18.021 10.177 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 209 18.229 9.593 -1.116 1.00 0.00 H new ATOM 1089 N PHE A 210 16.264 6.992 -1.812 1.00 0.00 N ATOM 1090 CA PHE A 210 15.588 6.498 -3.031 1.00 0.00 C ATOM 1091 C PHE A 210 14.126 6.174 -2.773 1.00 0.00 C ATOM 1092 O PHE A 210 13.258 6.480 -3.584 1.00 0.00 O ATOM 1093 CB PHE A 210 16.307 5.257 -3.565 1.00 0.00 C ATOM 1094 CG PHE A 210 15.771 4.709 -4.862 1.00 0.00 C ATOM 1095 CD1 PHE A 210 16.247 5.183 -6.067 1.00 0.00 C ATOM 1096 CD2 PHE A 210 14.809 3.705 -4.873 1.00 0.00 C ATOM 1097 CE1 PHE A 210 15.780 4.680 -7.257 1.00 0.00 C ATOM 1098 CE2 PHE A 210 14.340 3.196 -6.063 1.00 0.00 C ATOM 1099 CZ PHE A 210 14.826 3.682 -7.259 1.00 0.00 C ATOM 0 H PHE A 210 17.030 6.398 -1.495 1.00 0.00 H new ATOM 0 HA PHE A 210 15.629 7.294 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 210 17.361 5.498 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 210 16.254 4.473 -2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 210 16.997 5.960 -6.075 1.00 0.00 H new ATOM 0 HD2 PHE A 210 14.426 3.321 -3.939 1.00 0.00 H new ATOM 0 HE1 PHE A 210 16.159 5.066 -8.192 1.00 0.00 H new ATOM 0 HE2 PHE A 210 13.592 2.417 -6.060 1.00 0.00 H new ATOM 0 HZ PHE A 210 14.461 3.283 -8.194 1.00 0.00 H new ATOM 1109 N PHE A 211 13.872 5.534 -1.672 1.00 0.00 N ATOM 1110 CA PHE A 211 12.520 5.173 -1.307 1.00 0.00 C ATOM 1111 C PHE A 211 11.866 6.261 -0.464 1.00 0.00 C ATOM 1112 O PHE A 211 10.647 6.364 -0.405 1.00 0.00 O ATOM 1113 CB PHE A 211 12.479 3.795 -0.615 1.00 0.00 C ATOM 1114 CG PHE A 211 13.525 3.608 0.451 1.00 0.00 C ATOM 1115 CD1 PHE A 211 13.353 4.130 1.714 1.00 0.00 C ATOM 1116 CD2 PHE A 211 14.684 2.908 0.174 1.00 0.00 C ATOM 1117 CE1 PHE A 211 14.317 3.970 2.679 1.00 0.00 C ATOM 1118 CE2 PHE A 211 15.651 2.740 1.134 1.00 0.00 C ATOM 1119 CZ PHE A 211 15.469 3.269 2.393 1.00 0.00 C ATOM 0 H PHE A 211 14.584 5.246 -1.001 1.00 0.00 H new ATOM 0 HA PHE A 211 11.935 5.087 -2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 211 11.494 3.654 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 211 12.603 3.018 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 211 12.449 4.672 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 211 14.831 2.488 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 211 14.173 4.393 3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 211 16.553 2.194 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 211 16.225 3.135 3.152 1.00 0.00 H new ATOM 1129 N THR A 212 12.676 7.061 0.186 1.00 0.00 N ATOM 1130 CA THR A 212 12.166 8.149 0.995 1.00 0.00 C ATOM 1131 C THR A 212 11.696 9.338 0.110 1.00 0.00 C ATOM 1132 O THR A 212 10.647 9.948 0.363 1.00 0.00 O ATOM 1133 CB THR A 212 13.233 8.599 2.007 1.00 0.00 C ATOM 1134 OG1 THR A 212 13.691 7.434 2.730 1.00 0.00 O ATOM 1135 CG2 THR A 212 12.652 9.601 2.993 1.00 0.00 C ATOM 0 H THR A 212 13.693 6.982 0.173 1.00 0.00 H new ATOM 0 HA THR A 212 11.296 7.791 1.545 1.00 0.00 H new ATOM 0 HB THR A 212 14.056 9.076 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 212 14.496 7.078 2.300 1.00 0.00 H new ATOM 0 HG21 THR A 212 13.424 9.906 3.700 1.00 0.00 H new ATOM 0 HG22 THR A 212 12.289 10.475 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 212 11.826 9.141 3.535 1.00 0.00 H new