USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 565 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.688) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00612) USER MOD Single : A 22 THR OG1 : rot 39:sc= 0.178 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-2.7) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.13) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.328 K(o=-0.33,f=-4.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0465 K(o=-0.047,f=-1.7) USER MOD Single : A 51 GLN : amide:sc=-0.00421 K(o=-0.0042,f=-0.78) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0.0581 (180deg=-0.217) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 120:sc= 0.82 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= 1.11 (180deg=0.0596) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -12.980 -5.098 -11.003 1.00 0.00 N ATOM 245 CA GLU A 14 -13.229 -6.346 -10.322 1.00 0.00 C ATOM 246 C GLU A 14 -13.244 -6.075 -8.831 1.00 0.00 C ATOM 247 O GLU A 14 -14.221 -6.371 -8.144 1.00 0.00 O ATOM 248 CB GLU A 14 -12.120 -7.350 -10.694 1.00 0.00 C ATOM 249 CG GLU A 14 -12.477 -8.834 -10.595 1.00 0.00 C ATOM 250 CD GLU A 14 -12.740 -9.359 -9.205 1.00 0.00 C ATOM 251 OE1 GLU A 14 -13.901 -9.319 -8.755 1.00 0.00 O ATOM 252 OE2 GLU A 14 -11.806 -9.908 -8.576 1.00 0.00 O ATOM 0 HA GLU A 14 -14.188 -6.772 -10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.803 -7.144 -11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.261 -7.163 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.362 -9.016 -11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.664 -9.413 -11.033 1.00 0.00 H new ATOM 259 N ILE A 15 -12.195 -5.411 -8.361 1.00 0.00 N ATOM 260 CA ILE A 15 -12.019 -5.128 -6.939 1.00 0.00 C ATOM 261 C ILE A 15 -13.149 -4.254 -6.390 1.00 0.00 C ATOM 262 O ILE A 15 -13.483 -4.314 -5.215 1.00 0.00 O ATOM 263 CB ILE A 15 -10.609 -4.491 -6.635 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.451 -3.052 -7.186 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.504 -5.374 -7.183 1.00 0.00 C ATOM 266 CD1 ILE A 15 -10.942 -1.948 -6.258 1.00 0.00 C ATOM 0 H ILE A 15 -11.444 -5.054 -8.951 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.062 -6.086 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.533 -4.423 -5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.398 -2.878 -7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.992 -2.979 -8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.536 -4.922 -6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.558 -6.357 -6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.622 -5.478 -8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.789 -0.979 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.004 -2.089 -6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.385 -1.986 -5.322 1.00 0.00 H new ATOM 278 N LYS A 16 -13.763 -3.487 -7.261 1.00 0.00 N ATOM 279 CA LYS A 16 -14.811 -2.572 -6.857 1.00 0.00 C ATOM 280 C LYS A 16 -16.103 -3.289 -6.574 1.00 0.00 C ATOM 281 O LYS A 16 -16.907 -2.836 -5.770 1.00 0.00 O ATOM 282 CB LYS A 16 -14.959 -1.443 -7.866 1.00 0.00 C ATOM 283 CG LYS A 16 -13.857 -0.422 -7.726 1.00 0.00 C ATOM 284 CD LYS A 16 -13.836 0.602 -8.834 1.00 0.00 C ATOM 285 CE LYS A 16 -12.653 1.525 -8.625 1.00 0.00 C ATOM 286 NZ LYS A 16 -12.460 2.472 -9.727 1.00 0.00 N ATOM 0 H LYS A 16 -13.555 -3.477 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.519 -2.113 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.949 -1.854 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.925 -0.957 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.968 0.091 -6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.897 -0.937 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.762 0.108 -9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.764 1.173 -8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.792 2.080 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.750 0.927 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.637 3.075 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.298 1.948 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.308 3.066 -9.827 1.00 0.00 H new ATOM 300 N LYS A 17 -16.273 -4.421 -7.191 1.00 0.00 N ATOM 301 CA LYS A 17 -17.431 -5.256 -6.952 1.00 0.00 C ATOM 302 C LYS A 17 -17.092 -6.215 -5.819 1.00 0.00 C ATOM 303 O LYS A 17 -17.899 -6.479 -4.921 1.00 0.00 O ATOM 304 CB LYS A 17 -17.745 -6.062 -8.211 1.00 0.00 C ATOM 305 CG LYS A 17 -18.013 -5.216 -9.446 1.00 0.00 C ATOM 306 CD LYS A 17 -18.168 -6.080 -10.689 1.00 0.00 C ATOM 307 CE LYS A 17 -16.887 -6.855 -11.000 1.00 0.00 C ATOM 308 NZ LYS A 17 -17.024 -7.682 -12.217 1.00 0.00 N ATOM 0 H LYS A 17 -15.618 -4.798 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.294 -4.643 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.910 -6.731 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.616 -6.689 -8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -18.918 -4.627 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.194 -4.511 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.991 -6.780 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.429 -5.451 -11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.061 -6.155 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.635 -7.494 -10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.134 -8.191 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.795 -8.368 -12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.239 -7.070 -13.030 1.00 0.00 H new ATOM 322 N LYS A 18 -15.859 -6.674 -5.861 1.00 0.00 N ATOM 323 CA LYS A 18 -15.301 -7.656 -4.952 1.00 0.00 C ATOM 324 C LYS A 18 -15.291 -7.111 -3.527 1.00 0.00 C ATOM 325 O LYS A 18 -15.783 -7.748 -2.598 1.00 0.00 O ATOM 326 CB LYS A 18 -13.863 -7.934 -5.395 1.00 0.00 C ATOM 327 CG LYS A 18 -13.241 -9.223 -4.904 1.00 0.00 C ATOM 328 CD LYS A 18 -11.777 -9.273 -5.317 1.00 0.00 C ATOM 329 CE LYS A 18 -11.205 -10.676 -5.271 1.00 0.00 C ATOM 330 NZ LYS A 18 -11.830 -11.535 -6.300 1.00 0.00 N ATOM 0 H LYS A 18 -15.187 -6.359 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.900 -8.566 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.836 -7.936 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.238 -7.105 -5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.326 -9.289 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.776 -10.078 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.675 -8.876 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.196 -8.626 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.127 -10.639 -5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.368 -11.107 -4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.203 -12.337 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.741 -11.891 -5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.986 -10.981 -7.166 1.00 0.00 H new ATOM 344 N PHE A 19 -14.754 -5.923 -3.374 1.00 0.00 N ATOM 345 CA PHE A 19 -14.601 -5.316 -2.069 1.00 0.00 C ATOM 346 C PHE A 19 -15.653 -4.247 -1.827 1.00 0.00 C ATOM 347 O PHE A 19 -15.749 -3.721 -0.720 1.00 0.00 O ATOM 348 CB PHE A 19 -13.207 -4.691 -1.945 1.00 0.00 C ATOM 349 CG PHE A 19 -12.074 -5.663 -2.171 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.861 -6.719 -1.308 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.234 -5.525 -3.263 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.831 -7.614 -1.526 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.204 -6.418 -3.483 1.00 0.00 C ATOM 354 CZ PHE A 19 -10.003 -7.462 -2.613 1.00 0.00 C ATOM 0 H PHE A 19 -14.412 -5.351 -4.146 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.727 -6.099 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -13.121 -3.876 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.104 -4.253 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.507 -6.847 -0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.386 -4.708 -3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.676 -8.435 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.557 -6.296 -4.339 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.197 -8.161 -2.782 1.00 0.00 H new ATOM 364 N LYS A 20 -16.443 -3.953 -2.852 1.00 0.00 N ATOM 365 CA LYS A 20 -17.434 -2.867 -2.829 1.00 0.00 C ATOM 366 C LYS A 20 -16.763 -1.559 -2.471 1.00 0.00 C ATOM 367 O LYS A 20 -16.731 -1.145 -1.303 1.00 0.00 O ATOM 368 CB LYS A 20 -18.649 -3.140 -1.916 1.00 0.00 C ATOM 369 CG LYS A 20 -19.478 -4.360 -2.289 1.00 0.00 C ATOM 370 CD LYS A 20 -20.753 -4.451 -1.441 1.00 0.00 C ATOM 371 CE LYS A 20 -20.476 -4.652 0.055 1.00 0.00 C ATOM 372 NZ LYS A 20 -19.865 -5.966 0.340 1.00 0.00 N ATOM 0 H LYS A 20 -16.419 -4.463 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.844 -2.804 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.294 -3.261 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.296 -2.263 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.744 -4.312 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.882 -5.262 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.336 -3.540 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.364 -5.277 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.814 -3.862 0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.409 -4.559 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.728 -6.070 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.491 -6.722 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.945 -6.033 -0.141 1.00 0.00 H new ATOM 386 N LEU A 21 -16.155 -0.953 -3.449 1.00 0.00 N ATOM 387 CA LEU A 21 -15.414 0.249 -3.203 1.00 0.00 C ATOM 388 C LEU A 21 -16.343 1.446 -3.215 1.00 0.00 C ATOM 389 O LEU A 21 -16.330 2.256 -2.288 1.00 0.00 O ATOM 390 CB LEU A 21 -14.317 0.404 -4.241 1.00 0.00 C ATOM 391 CG LEU A 21 -13.100 1.168 -3.770 1.00 0.00 C ATOM 392 CD1 LEU A 21 -12.466 0.406 -2.620 1.00 0.00 C ATOM 393 CD2 LEU A 21 -12.110 1.348 -4.904 1.00 0.00 C ATOM 0 H LEU A 21 -16.157 -1.269 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.949 0.188 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.002 -0.587 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.731 0.910 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.397 2.161 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.586 0.944 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.184 0.313 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.172 -0.587 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.242 1.900 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.793 0.371 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.582 1.903 -5.715 1.00 0.00 H new ATOM 405 N THR A 22 -17.209 1.476 -4.214 1.00 0.00 N ATOM 406 CA THR A 22 -18.255 2.488 -4.411 1.00 0.00 C ATOM 407 C THR A 22 -17.800 3.945 -4.250 1.00 0.00 C ATOM 408 O THR A 22 -17.720 4.467 -3.132 1.00 0.00 O ATOM 409 CB THR A 22 -19.506 2.193 -3.549 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.112 1.957 -2.172 1.00 0.00 O ATOM 411 CG2 THR A 22 -20.233 0.977 -4.089 1.00 0.00 C ATOM 0 H THR A 22 -17.209 0.767 -4.948 1.00 0.00 H new ATOM 0 HA THR A 22 -18.520 2.396 -5.464 1.00 0.00 H new ATOM 0 HB THR A 22 -20.174 3.054 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.388 2.571 -1.929 1.00 0.00 H new ATOM 0 HG21 THR A 22 -21.112 0.777 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 22 -20.542 1.165 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.568 0.114 -4.062 1.00 0.00 H new ATOM 419 N GLY A 23 -17.486 4.579 -5.347 1.00 0.00 N ATOM 420 CA GLY A 23 -17.129 5.967 -5.312 1.00 0.00 C ATOM 421 C GLY A 23 -15.637 6.189 -5.225 1.00 0.00 C ATOM 422 O GLY A 23 -14.858 5.219 -5.195 1.00 0.00 O ATOM 0 H GLY A 23 -17.471 4.155 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.513 6.458 -6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.612 6.440 -4.457 1.00 0.00 H new ATOM 426 N PRO A 24 -15.199 7.450 -5.211 1.00 0.00 N ATOM 427 CA PRO A 24 -13.796 7.794 -5.088 1.00 0.00 C ATOM 428 C PRO A 24 -13.310 7.550 -3.670 1.00 0.00 C ATOM 429 O PRO A 24 -14.010 7.866 -2.699 1.00 0.00 O ATOM 430 CB PRO A 24 -13.741 9.299 -5.415 1.00 0.00 C ATOM 431 CG PRO A 24 -15.102 9.650 -5.912 1.00 0.00 C ATOM 432 CD PRO A 24 -16.036 8.650 -5.316 1.00 0.00 C ATOM 0 HA PRO A 24 -13.164 7.197 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.483 9.883 -4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.982 9.509 -6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.375 10.663 -5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.139 9.616 -7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.407 8.972 -4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.907 8.482 -5.949 1.00 0.00 H new ATOM 440 N ILE A 25 -12.151 6.972 -3.548 1.00 0.00 N ATOM 441 CA ILE A 25 -11.583 6.682 -2.260 1.00 0.00 C ATOM 442 C ILE A 25 -10.203 7.292 -2.121 1.00 0.00 C ATOM 443 O ILE A 25 -9.566 7.653 -3.126 1.00 0.00 O ATOM 444 CB ILE A 25 -11.590 5.148 -1.938 1.00 0.00 C ATOM 445 CG1 ILE A 25 -11.056 4.272 -3.106 1.00 0.00 C ATOM 446 CG2 ILE A 25 -12.980 4.694 -1.535 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.565 4.346 -3.367 1.00 0.00 C ATOM 0 H ILE A 25 -11.571 6.687 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.222 7.150 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.903 5.008 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.318 3.233 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.579 4.560 -4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.965 3.626 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.299 5.242 -0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.677 4.887 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.309 3.694 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.288 5.372 -3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.023 4.025 -2.477 1.00 0.00 H new ATOM 459 N GLN A 26 -9.761 7.439 -0.909 1.00 0.00 N ATOM 460 CA GLN A 26 -8.470 8.013 -0.607 1.00 0.00 C ATOM 461 C GLN A 26 -7.728 7.075 0.325 1.00 0.00 C ATOM 462 O GLN A 26 -8.351 6.380 1.126 1.00 0.00 O ATOM 463 CB GLN A 26 -8.658 9.373 0.060 1.00 0.00 C ATOM 464 CG GLN A 26 -9.378 10.391 -0.804 1.00 0.00 C ATOM 465 CD GLN A 26 -9.700 11.651 -0.052 1.00 0.00 C ATOM 466 OE1 GLN A 26 -8.907 12.593 -0.020 1.00 0.00 O ATOM 467 NE2 GLN A 26 -10.865 11.693 0.544 1.00 0.00 N ATOM 0 H GLN A 26 -10.291 7.161 -0.083 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.896 8.149 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.217 9.238 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.680 9.770 0.333 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.759 10.634 -1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.300 9.953 -1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.493 10.891 0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.145 12.528 1.059 1.00 0.00 H new ATOM 476 N VAL A 27 -6.424 7.044 0.215 1.00 0.00 N ATOM 477 CA VAL A 27 -5.609 6.165 1.035 1.00 0.00 C ATOM 478 C VAL A 27 -5.510 6.698 2.478 1.00 0.00 C ATOM 479 O VAL A 27 -5.525 7.916 2.703 1.00 0.00 O ATOM 480 CB VAL A 27 -4.192 5.978 0.412 1.00 0.00 C ATOM 481 CG1 VAL A 27 -3.477 7.292 0.249 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.352 5.050 1.235 1.00 0.00 C ATOM 0 H VAL A 27 -5.894 7.621 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.093 5.189 1.068 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.341 5.539 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.493 7.119 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.056 7.943 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.363 7.767 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.371 4.941 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.237 5.457 2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.836 4.075 1.292 1.00 0.00 H new ATOM 492 N ILE A 28 -5.452 5.799 3.442 1.00 0.00 N ATOM 493 CA ILE A 28 -5.345 6.198 4.836 1.00 0.00 C ATOM 494 C ILE A 28 -3.883 6.138 5.317 1.00 0.00 C ATOM 495 O ILE A 28 -3.388 7.059 5.955 1.00 0.00 O ATOM 496 CB ILE A 28 -6.225 5.286 5.751 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.700 5.343 5.329 1.00 0.00 C ATOM 498 CG2 ILE A 28 -6.088 5.671 7.223 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.331 6.722 5.428 1.00 0.00 C ATOM 0 H ILE A 28 -5.477 4.791 3.289 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.703 7.225 4.906 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.864 4.265 5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.784 4.992 4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.269 4.651 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.713 5.016 7.830 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.048 5.567 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.405 6.705 7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.372 6.669 5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.283 7.071 6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.791 7.416 4.785 1.00 0.00 H new ATOM 511 N HIS A 29 -3.189 5.075 4.982 1.00 0.00 N ATOM 512 CA HIS A 29 -1.816 4.867 5.470 1.00 0.00 C ATOM 513 C HIS A 29 -0.977 4.320 4.359 1.00 0.00 C ATOM 514 O HIS A 29 -1.512 3.801 3.382 1.00 0.00 O ATOM 515 CB HIS A 29 -1.801 3.839 6.617 1.00 0.00 C ATOM 516 CG HIS A 29 -2.492 4.235 7.907 1.00 0.00 C ATOM 517 ND1 HIS A 29 -2.709 5.538 8.306 1.00 0.00 N ATOM 518 CD2 HIS A 29 -3.016 3.466 8.886 1.00 0.00 C ATOM 519 CE1 HIS A 29 -3.322 5.541 9.467 1.00 0.00 C ATOM 520 NE2 HIS A 29 -3.526 4.304 9.836 1.00 0.00 N ATOM 0 H HIS A 29 -3.539 4.333 4.375 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.428 5.822 5.823 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.262 2.920 6.254 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.762 3.605 6.848 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.436 6.369 7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.029 2.386 8.913 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.610 6.420 10.025 1.00 0.00 H new ATOM 529 N LEU A 30 0.312 4.394 4.496 1.00 0.00 N ATOM 530 CA LEU A 30 1.154 3.828 3.501 1.00 0.00 C ATOM 531 C LEU A 30 1.627 2.476 3.972 1.00 0.00 C ATOM 532 O LEU A 30 2.197 2.353 5.064 1.00 0.00 O ATOM 533 CB LEU A 30 2.337 4.732 3.164 1.00 0.00 C ATOM 534 CG LEU A 30 3.164 4.268 1.968 1.00 0.00 C ATOM 535 CD1 LEU A 30 2.272 4.169 0.745 1.00 0.00 C ATOM 536 CD2 LEU A 30 4.325 5.210 1.708 1.00 0.00 C ATOM 0 H LEU A 30 0.794 4.836 5.279 1.00 0.00 H new ATOM 0 HA LEU A 30 0.578 3.719 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.965 5.737 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.987 4.799 4.036 1.00 0.00 H new ATOM 0 HG LEU A 30 3.581 3.286 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.862 3.838 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.473 3.452 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.839 5.146 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.897 4.855 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.943 6.210 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.970 5.243 2.586 1.00 0.00 H new ATOM 548 N ALA A 31 1.337 1.477 3.190 1.00 0.00 N ATOM 549 CA ALA A 31 1.730 0.133 3.484 1.00 0.00 C ATOM 550 C ALA A 31 2.918 -0.255 2.616 1.00 0.00 C ATOM 551 O ALA A 31 3.242 0.412 1.641 1.00 0.00 O ATOM 552 CB ALA A 31 0.559 -0.797 3.234 1.00 0.00 C ATOM 0 H ALA A 31 0.814 1.576 2.320 1.00 0.00 H new ATOM 0 HA ALA A 31 2.026 0.054 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.855 -1.822 3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.275 -0.512 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.255 -0.726 2.190 1.00 0.00 H new ATOM 558 N LYS A 32 3.557 -1.295 2.984 1.00 0.00 N ATOM 559 CA LYS A 32 4.674 -1.805 2.308 1.00 0.00 C ATOM 560 C LYS A 32 4.660 -3.266 2.579 1.00 0.00 C ATOM 561 O LYS A 32 4.830 -3.709 3.721 1.00 0.00 O ATOM 562 CB LYS A 32 5.990 -1.096 2.724 1.00 0.00 C ATOM 563 CG LYS A 32 6.350 -1.181 4.193 1.00 0.00 C ATOM 564 CD LYS A 32 7.454 -0.218 4.533 1.00 0.00 C ATOM 565 CE LYS A 32 7.862 -0.335 5.982 1.00 0.00 C ATOM 566 NZ LYS A 32 8.817 0.717 6.353 1.00 0.00 N ATOM 0 H LYS A 32 3.299 -1.839 3.807 1.00 0.00 H new ATOM 0 HA LYS A 32 4.626 -1.618 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.809 -1.522 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.917 -0.044 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.471 -0.962 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.661 -2.197 4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.316 -0.411 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.126 0.801 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.979 -0.268 6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.309 -1.314 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.144 0.561 7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.631 0.690 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.353 1.646 6.288 1.00 0.00 H new ATOM 580 N ALA A 33 4.284 -3.979 1.606 1.00 0.00 N ATOM 581 CA ALA A 33 4.173 -5.395 1.718 1.00 0.00 C ATOM 582 C ALA A 33 5.545 -6.029 1.774 1.00 0.00 C ATOM 583 O ALA A 33 6.415 -5.755 0.930 1.00 0.00 O ATOM 584 CB ALA A 33 3.301 -5.949 0.599 1.00 0.00 C ATOM 0 H ALA A 33 4.037 -3.607 0.689 1.00 0.00 H new ATOM 0 HA ALA A 33 3.676 -5.649 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.226 -7.032 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.306 -5.509 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.746 -5.703 -0.365 1.00 0.00 H new ATOM 590 N CYS A 34 5.770 -6.810 2.789 1.00 0.00 N ATOM 591 CA CYS A 34 7.023 -7.468 2.933 1.00 0.00 C ATOM 592 C CYS A 34 6.875 -8.898 2.763 1.00 0.00 C ATOM 593 O CYS A 34 5.828 -9.470 3.097 1.00 0.00 O ATOM 594 CB CYS A 34 7.668 -7.294 4.316 1.00 0.00 C ATOM 595 SG CYS A 34 9.265 -8.272 4.496 1.00 0.00 S ATOM 0 H CYS A 34 5.096 -7.004 3.529 1.00 0.00 H new ATOM 0 HA CYS A 34 7.652 -7.008 2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.872 -6.237 4.488 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.963 -7.611 5.084 1.00 0.00 H new ATOM 600 N CYS A 35 7.935 -9.470 2.247 1.00 0.00 N ATOM 601 CA CYS A 35 8.190 -10.850 2.309 1.00 0.00 C ATOM 602 C CYS A 35 7.285 -11.634 1.338 1.00 0.00 C ATOM 603 O CYS A 35 6.372 -11.072 0.717 1.00 0.00 O ATOM 604 CB CYS A 35 8.003 -11.292 3.788 1.00 0.00 C ATOM 605 SG CYS A 35 8.778 -10.206 5.161 1.00 0.00 S ATOM 0 H CYS A 35 8.661 -8.947 1.757 1.00 0.00 H new ATOM 0 HA CYS A 35 9.210 -11.067 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.933 -11.361 3.982 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.411 -12.298 3.889 1.00 0.00 H new ATOM 610 N ASP A 36 7.599 -12.880 1.130 1.00 0.00 N ATOM 611 CA ASP A 36 6.740 -13.762 0.350 1.00 0.00 C ATOM 612 C ASP A 36 5.544 -14.151 1.189 1.00 0.00 C ATOM 613 O ASP A 36 5.644 -14.980 2.113 1.00 0.00 O ATOM 614 CB ASP A 36 7.477 -15.010 -0.146 1.00 0.00 C ATOM 615 CG ASP A 36 6.557 -15.973 -0.880 1.00 0.00 C ATOM 616 OD1 ASP A 36 6.174 -15.700 -2.034 1.00 0.00 O ATOM 617 OD2 ASP A 36 6.190 -17.019 -0.308 1.00 0.00 O ATOM 0 H ASP A 36 8.446 -13.322 1.487 1.00 0.00 H new ATOM 0 HA ASP A 36 6.416 -13.221 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.288 -14.710 -0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.932 -15.521 0.702 1.00 0.00 H new ATOM 622 N VAL A 37 4.447 -13.522 0.902 1.00 0.00 N ATOM 623 CA VAL A 37 3.221 -13.670 1.647 1.00 0.00 C ATOM 624 C VAL A 37 2.316 -14.675 0.995 1.00 0.00 C ATOM 625 O VAL A 37 2.509 -15.011 -0.187 1.00 0.00 O ATOM 626 CB VAL A 37 2.453 -12.341 1.801 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.324 -11.282 2.439 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.900 -11.870 0.475 1.00 0.00 C ATOM 0 H VAL A 37 4.371 -12.870 0.121 1.00 0.00 H new ATOM 0 HA VAL A 37 3.513 -14.014 2.639 1.00 0.00 H new ATOM 0 HB VAL A 37 1.607 -12.521 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.758 -10.355 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.641 -11.618 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.201 -11.108 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.364 -10.931 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.719 -11.718 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.217 -12.621 0.078 1.00 0.00 H new ATOM 638 N LYS A 38 1.421 -15.247 1.787 1.00 0.00 N ATOM 639 CA LYS A 38 0.383 -16.138 1.277 1.00 0.00 C ATOM 640 C LYS A 38 -0.306 -15.456 0.109 1.00 0.00 C ATOM 641 O LYS A 38 -0.342 -16.002 -1.003 1.00 0.00 O ATOM 642 CB LYS A 38 -0.650 -16.464 2.366 1.00 0.00 C ATOM 643 CG LYS A 38 -0.051 -16.901 3.684 1.00 0.00 C ATOM 644 CD LYS A 38 0.842 -18.121 3.532 1.00 0.00 C ATOM 645 CE LYS A 38 1.544 -18.462 4.834 1.00 0.00 C ATOM 646 NZ LYS A 38 2.472 -19.597 4.675 1.00 0.00 N ATOM 0 H LYS A 38 1.391 -15.109 2.797 1.00 0.00 H new ATOM 0 HA LYS A 38 0.842 -17.074 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.270 -15.584 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.309 -17.252 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.527 -16.080 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.852 -17.125 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.244 -18.972 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.584 -17.936 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.093 -17.590 5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.802 -18.703 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.932 -19.800 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.944 -20.436 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.196 -19.357 3.967 1.00 0.00 H new ATOM 660 N GLY A 39 -0.789 -14.232 0.354 1.00 0.00 N ATOM 661 CA GLY A 39 -1.377 -13.442 -0.706 1.00 0.00 C ATOM 662 C GLY A 39 -2.555 -14.106 -1.369 1.00 0.00 C ATOM 663 O GLY A 39 -2.605 -14.172 -2.590 1.00 0.00 O ATOM 0 H GLY A 39 -0.780 -13.781 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.693 -12.481 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.616 -13.235 -1.459 1.00 0.00 H new ATOM 667 N GLY A 40 -3.420 -14.692 -0.562 1.00 0.00 N ATOM 668 CA GLY A 40 -4.596 -15.438 -1.029 1.00 0.00 C ATOM 669 C GLY A 40 -5.487 -14.729 -2.066 1.00 0.00 C ATOM 670 O GLY A 40 -5.254 -13.581 -2.447 1.00 0.00 O ATOM 0 H GLY A 40 -3.333 -14.668 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.255 -16.380 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.210 -15.686 -0.163 1.00 0.00 H new ATOM 674 N LYS A 41 -6.528 -15.419 -2.486 1.00 0.00 N ATOM 675 CA LYS A 41 -7.425 -14.951 -3.545 1.00 0.00 C ATOM 676 C LYS A 41 -8.136 -13.641 -3.190 1.00 0.00 C ATOM 677 O LYS A 41 -8.379 -12.799 -4.063 1.00 0.00 O ATOM 678 CB LYS A 41 -8.426 -16.038 -3.939 1.00 0.00 C ATOM 679 CG LYS A 41 -7.776 -17.308 -4.479 1.00 0.00 C ATOM 680 CD LYS A 41 -6.876 -17.009 -5.672 1.00 0.00 C ATOM 681 CE LYS A 41 -6.271 -18.272 -6.244 1.00 0.00 C ATOM 682 NZ LYS A 41 -5.356 -17.990 -7.370 1.00 0.00 N ATOM 0 H LYS A 41 -6.785 -16.329 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.797 -14.734 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.032 -16.293 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.103 -15.639 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.192 -17.783 -3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.549 -18.017 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.452 -16.499 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.080 -16.330 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.728 -18.801 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.068 -18.934 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.964 -18.883 -7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.878 -17.509 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.580 -17.379 -7.043 1.00 0.00 H new ATOM 696 N ASN A 42 -8.456 -13.463 -1.929 1.00 0.00 N ATOM 697 CA ASN A 42 -9.074 -12.214 -1.479 1.00 0.00 C ATOM 698 C ASN A 42 -8.021 -11.167 -1.148 1.00 0.00 C ATOM 699 O ASN A 42 -8.312 -9.968 -1.080 1.00 0.00 O ATOM 700 CB ASN A 42 -10.048 -12.427 -0.292 1.00 0.00 C ATOM 701 CG ASN A 42 -9.443 -13.147 0.914 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.265 -13.031 1.214 1.00 0.00 O ATOM 703 ND2 ASN A 42 -10.250 -13.903 1.610 1.00 0.00 N ATOM 0 H ASN A 42 -8.305 -14.154 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.672 -11.842 -2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.421 -11.455 0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.908 -12.997 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.899 -14.411 2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.231 -13.985 1.341 1.00 0.00 H new ATOM 710 N GLU A 43 -6.799 -11.611 -0.991 1.00 0.00 N ATOM 711 CA GLU A 43 -5.710 -10.735 -0.673 1.00 0.00 C ATOM 712 C GLU A 43 -4.997 -10.251 -1.917 1.00 0.00 C ATOM 713 O GLU A 43 -5.278 -10.704 -3.035 1.00 0.00 O ATOM 714 CB GLU A 43 -4.749 -11.348 0.358 1.00 0.00 C ATOM 715 CG GLU A 43 -5.302 -11.297 1.775 1.00 0.00 C ATOM 716 CD GLU A 43 -4.378 -11.862 2.817 1.00 0.00 C ATOM 717 OE1 GLU A 43 -3.186 -11.479 2.879 1.00 0.00 O ATOM 718 OE2 GLU A 43 -4.831 -12.727 3.611 1.00 0.00 O ATOM 0 H GLU A 43 -6.536 -12.592 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.140 -9.854 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.545 -12.384 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.798 -10.817 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.527 -10.261 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.244 -11.844 1.805 1.00 0.00 H new ATOM 725 N LEU A 44 -4.127 -9.307 -1.732 1.00 0.00 N ATOM 726 CA LEU A 44 -3.438 -8.688 -2.823 1.00 0.00 C ATOM 727 C LEU A 44 -2.307 -9.569 -3.297 1.00 0.00 C ATOM 728 O LEU A 44 -1.561 -10.169 -2.500 1.00 0.00 O ATOM 729 CB LEU A 44 -2.879 -7.340 -2.378 1.00 0.00 C ATOM 730 CG LEU A 44 -2.903 -6.166 -3.374 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.493 -4.894 -2.666 1.00 0.00 C ATOM 732 CD2 LEU A 44 -1.990 -6.405 -4.556 1.00 0.00 C ATOM 0 H LEU A 44 -3.873 -8.942 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.141 -8.541 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.429 -7.031 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.844 -7.495 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.920 -6.075 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.510 -4.063 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.187 -4.692 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.486 -5.009 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.039 -5.551 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.966 -6.532 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.306 -7.305 -5.084 1.00 0.00 H new ATOM 744 N SER A 45 -2.152 -9.594 -4.568 1.00 0.00 N ATOM 745 CA SER A 45 -1.079 -10.304 -5.225 1.00 0.00 C ATOM 746 C SER A 45 0.211 -9.449 -5.183 1.00 0.00 C ATOM 747 O SER A 45 0.907 -9.294 -6.178 1.00 0.00 O ATOM 748 CB SER A 45 -1.490 -10.592 -6.672 1.00 0.00 C ATOM 749 OG SER A 45 -2.705 -11.346 -6.711 1.00 0.00 O ATOM 0 H SER A 45 -2.777 -9.112 -5.214 1.00 0.00 H new ATOM 0 HA SER A 45 -0.883 -11.247 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.620 -9.654 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.697 -11.143 -7.178 1.00 0.00 H new ATOM 0 HG SER A 45 -2.953 -11.519 -7.643 1.00 0.00 H new ATOM 755 N PHE A 46 0.520 -8.913 -4.011 1.00 0.00 N ATOM 756 CA PHE A 46 1.694 -8.100 -3.826 1.00 0.00 C ATOM 757 C PHE A 46 2.905 -8.931 -3.487 1.00 0.00 C ATOM 758 O PHE A 46 2.812 -10.151 -3.258 1.00 0.00 O ATOM 759 CB PHE A 46 1.482 -6.980 -2.787 1.00 0.00 C ATOM 760 CG PHE A 46 0.961 -7.406 -1.424 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.527 -8.446 -0.712 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.094 -6.743 -0.860 1.00 0.00 C ATOM 763 CE1 PHE A 46 1.040 -8.802 0.524 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.581 -7.102 0.372 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.011 -8.132 1.063 1.00 0.00 C ATOM 0 H PHE A 46 -0.041 -9.034 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 46 1.880 -7.615 -4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.432 -6.465 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.786 -6.254 -3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.363 -8.986 -1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.552 -5.923 -1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.495 -9.617 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.418 -6.568 0.796 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.394 -8.413 2.033 1.00 0.00 H new ATOM 775 N LYS A 47 4.000 -8.264 -3.399 1.00 0.00 N ATOM 776 CA LYS A 47 5.270 -8.850 -3.158 1.00 0.00 C ATOM 777 C LYS A 47 5.995 -8.058 -2.087 1.00 0.00 C ATOM 778 O LYS A 47 5.449 -7.136 -1.502 1.00 0.00 O ATOM 779 CB LYS A 47 6.107 -8.840 -4.442 1.00 0.00 C ATOM 780 CG LYS A 47 5.551 -9.666 -5.584 1.00 0.00 C ATOM 781 CD LYS A 47 6.394 -9.492 -6.830 1.00 0.00 C ATOM 782 CE LYS A 47 7.826 -9.945 -6.599 1.00 0.00 C ATOM 783 NZ LYS A 47 8.682 -9.722 -7.778 1.00 0.00 N ATOM 0 H LYS A 47 4.037 -7.249 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 47 5.129 -9.879 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.213 -7.809 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.108 -9.203 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.526 -10.718 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.523 -9.367 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.958 -10.064 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.386 -8.445 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.241 -9.409 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.832 -11.005 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.648 -10.047 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.303 -10.254 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.699 -8.708 -8.008 1.00 0.00 H new ATOM 797 N GLN A 48 7.213 -8.412 -1.892 1.00 0.00 N ATOM 798 CA GLN A 48 8.098 -7.824 -0.957 1.00 0.00 C ATOM 799 C GLN A 48 8.661 -6.582 -1.577 1.00 0.00 C ATOM 800 O GLN A 48 9.167 -6.609 -2.709 1.00 0.00 O ATOM 801 CB GLN A 48 9.240 -8.795 -0.589 1.00 0.00 C ATOM 802 CG GLN A 48 10.312 -8.153 0.287 1.00 0.00 C ATOM 803 CD GLN A 48 11.435 -9.089 0.641 1.00 0.00 C ATOM 804 OE1 GLN A 48 11.245 -10.294 0.769 1.00 0.00 O ATOM 805 NE2 GLN A 48 12.596 -8.546 0.825 1.00 0.00 N ATOM 0 H GLN A 48 7.646 -9.172 -2.418 1.00 0.00 H new ATOM 0 HA GLN A 48 7.560 -7.588 -0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.822 -9.657 -0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.701 -9.167 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.722 -7.285 -0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.850 -7.788 1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.712 -7.539 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.394 -9.125 1.086 1.00 0.00 H new ATOM 814 N GLY A 49 8.498 -5.515 -0.890 1.00 0.00 N ATOM 815 CA GLY A 49 8.996 -4.248 -1.341 1.00 0.00 C ATOM 816 C GLY A 49 7.937 -3.542 -2.121 1.00 0.00 C ATOM 817 O GLY A 49 8.166 -2.461 -2.695 1.00 0.00 O ATOM 0 H GLY A 49 8.014 -5.483 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.299 -3.641 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.881 -4.393 -1.960 1.00 0.00 H new ATOM 821 N GLU A 50 6.763 -4.153 -2.150 1.00 0.00 N ATOM 822 CA GLU A 50 5.659 -3.610 -2.849 1.00 0.00 C ATOM 823 C GLU A 50 5.059 -2.445 -2.140 1.00 0.00 C ATOM 824 O GLU A 50 4.611 -2.533 -0.981 1.00 0.00 O ATOM 825 CB GLU A 50 4.620 -4.656 -3.232 1.00 0.00 C ATOM 826 CG GLU A 50 4.971 -5.408 -4.493 1.00 0.00 C ATOM 827 CD GLU A 50 5.246 -4.491 -5.653 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.311 -4.099 -6.359 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.426 -4.150 -5.870 1.00 0.00 O ATOM 0 H GLU A 50 6.571 -5.039 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 50 6.058 -3.232 -3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.509 -5.366 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.654 -4.168 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.848 -6.029 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.152 -6.080 -4.751 1.00 0.00 H new ATOM 836 N GLN A 51 5.049 -1.369 -2.850 1.00 0.00 N ATOM 837 CA GLN A 51 4.565 -0.140 -2.392 1.00 0.00 C ATOM 838 C GLN A 51 3.114 -0.157 -2.640 1.00 0.00 C ATOM 839 O GLN A 51 2.627 0.065 -3.755 1.00 0.00 O ATOM 840 CB GLN A 51 5.205 1.013 -3.168 1.00 0.00 C ATOM 841 CG GLN A 51 6.717 1.052 -3.093 1.00 0.00 C ATOM 842 CD GLN A 51 7.322 2.122 -3.979 1.00 0.00 C ATOM 843 OE1 GLN A 51 6.772 2.470 -5.033 1.00 0.00 O ATOM 844 NE2 GLN A 51 8.435 2.644 -3.578 1.00 0.00 N ATOM 0 H GLN A 51 5.397 -1.335 -3.808 1.00 0.00 H new ATOM 0 HA GLN A 51 4.798 0.004 -1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.907 0.941 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.810 1.955 -2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.021 1.227 -2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.116 0.080 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.859 2.332 -2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.889 3.368 -4.135 1.00 0.00 H new ATOM 853 N ILE A 52 2.464 -0.498 -1.651 1.00 0.00 N ATOM 854 CA ILE A 52 1.041 -0.540 -1.629 1.00 0.00 C ATOM 855 C ILE A 52 0.455 0.523 -0.727 1.00 0.00 C ATOM 856 O ILE A 52 1.118 1.062 0.127 1.00 0.00 O ATOM 857 CB ILE A 52 0.523 -1.905 -1.193 1.00 0.00 C ATOM 858 CG1 ILE A 52 1.015 -2.241 0.172 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.951 -2.970 -2.163 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.453 -3.502 0.664 1.00 0.00 C ATOM 0 H ILE A 52 2.895 -0.777 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 52 0.720 -0.347 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.566 -1.861 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.103 -2.310 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.755 -1.436 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.571 -3.937 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.554 -2.742 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.040 -3.005 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.839 -3.707 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.634 -3.425 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.735 -4.313 -0.008 1.00 0.00 H new ATOM 872 N GLU A 53 -0.761 0.851 -0.956 1.00 0.00 N ATOM 873 CA GLU A 53 -1.435 1.804 -0.118 1.00 0.00 C ATOM 874 C GLU A 53 -2.697 1.189 0.391 1.00 0.00 C ATOM 875 O GLU A 53 -3.414 0.572 -0.379 1.00 0.00 O ATOM 876 CB GLU A 53 -1.799 3.059 -0.893 1.00 0.00 C ATOM 877 CG GLU A 53 -0.661 3.827 -1.505 1.00 0.00 C ATOM 878 CD GLU A 53 -1.167 5.020 -2.271 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.817 4.821 -3.328 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.920 6.164 -1.849 1.00 0.00 O ATOM 0 H GLU A 53 -1.325 0.478 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.766 2.074 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.488 2.779 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.340 3.728 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.023 4.156 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.094 3.176 -2.171 1.00 0.00 H new ATOM 887 N ILE A 54 -2.972 1.322 1.670 1.00 0.00 N ATOM 888 CA ILE A 54 -4.243 0.808 2.163 1.00 0.00 C ATOM 889 C ILE A 54 -5.257 1.927 2.348 1.00 0.00 C ATOM 890 O ILE A 54 -4.993 2.969 2.989 1.00 0.00 O ATOM 891 CB ILE A 54 -4.189 -0.129 3.431 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.954 0.626 4.723 1.00 0.00 C ATOM 893 CG2 ILE A 54 -3.102 -1.163 3.272 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.618 1.245 4.810 1.00 0.00 C ATOM 0 H ILE A 54 -2.368 1.760 2.365 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.568 0.138 1.367 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.168 -0.603 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.712 1.402 4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.084 -0.057 5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.076 -1.802 4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.304 -1.770 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.140 -0.664 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.521 1.768 5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.853 0.471 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.491 1.954 3.991 1.00 0.00 H new ATOM 906 N ILE A 55 -6.387 1.719 1.765 1.00 0.00 N ATOM 907 CA ILE A 55 -7.456 2.678 1.760 1.00 0.00 C ATOM 908 C ILE A 55 -8.469 2.341 2.847 1.00 0.00 C ATOM 909 O ILE A 55 -9.027 3.221 3.479 1.00 0.00 O ATOM 910 CB ILE A 55 -8.171 2.735 0.355 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.280 3.351 -0.751 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.520 3.442 0.407 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.122 2.493 -1.215 1.00 0.00 C ATOM 0 H ILE A 55 -6.606 0.858 1.264 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.026 3.659 1.960 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.352 1.693 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.908 3.579 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.883 4.298 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.965 3.451 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.181 2.915 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.381 4.467 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.566 3.021 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.463 2.285 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.503 1.554 -1.618 1.00 0.00 H new ATOM 925 N ARG A 56 -8.673 1.075 3.086 1.00 0.00 N ATOM 926 CA ARG A 56 -9.694 0.681 4.021 1.00 0.00 C ATOM 927 C ARG A 56 -9.126 -0.029 5.233 1.00 0.00 C ATOM 928 O ARG A 56 -8.625 -1.157 5.131 1.00 0.00 O ATOM 929 CB ARG A 56 -10.761 -0.173 3.323 1.00 0.00 C ATOM 930 CG ARG A 56 -11.880 -0.660 4.231 1.00 0.00 C ATOM 931 CD ARG A 56 -12.922 -1.442 3.457 1.00 0.00 C ATOM 932 NE ARG A 56 -13.607 -0.612 2.453 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.307 -1.081 1.411 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.426 -2.391 1.219 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.886 -0.234 0.561 1.00 0.00 N ATOM 0 H ARG A 56 -8.156 0.308 2.655 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.165 1.592 4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.198 0.408 2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.276 -1.038 2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.464 -1.288 5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.352 0.193 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.445 -2.288 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.657 -1.851 4.151 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.544 0.401 2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.984 -3.044 1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.960 -2.744 0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.797 0.772 0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.419 -0.592 -0.232 1.00 0.00 H new ATOM 949 N ILE A 57 -9.188 0.648 6.361 1.00 0.00 N ATOM 950 CA ILE A 57 -8.824 0.085 7.647 1.00 0.00 C ATOM 951 C ILE A 57 -10.136 -0.407 8.213 1.00 0.00 C ATOM 952 O ILE A 57 -10.946 0.383 8.713 1.00 0.00 O ATOM 953 CB ILE A 57 -8.262 1.172 8.616 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.133 2.000 7.966 1.00 0.00 C ATOM 955 CG2 ILE A 57 -7.796 0.548 9.923 1.00 0.00 C ATOM 956 CD1 ILE A 57 -5.926 1.208 7.541 1.00 0.00 C ATOM 0 H ILE A 57 -9.497 1.619 6.412 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.057 -0.682 7.537 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.079 1.859 8.836 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.536 2.515 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.815 2.768 8.671 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.409 1.327 10.580 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.635 0.048 10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.010 -0.179 9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.190 1.877 7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.490 0.715 8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.223 0.457 6.809 1.00 0.00 H new ATOM 968 N THR A 58 -10.394 -1.662 8.082 1.00 0.00 N ATOM 969 CA THR A 58 -11.679 -2.169 8.439 1.00 0.00 C ATOM 970 C THR A 58 -11.622 -3.155 9.602 1.00 0.00 C ATOM 971 O THR A 58 -10.696 -3.966 9.719 1.00 0.00 O ATOM 972 CB THR A 58 -12.400 -2.763 7.194 1.00 0.00 C ATOM 973 OG1 THR A 58 -13.683 -3.299 7.526 1.00 0.00 O ATOM 974 CG2 THR A 58 -11.550 -3.815 6.508 1.00 0.00 C ATOM 0 H THR A 58 -9.736 -2.358 7.731 1.00 0.00 H new ATOM 0 HA THR A 58 -12.272 -1.328 8.799 1.00 0.00 H new ATOM 0 HB THR A 58 -12.552 -1.938 6.498 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.105 -3.661 6.719 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.085 -4.208 5.643 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.611 -3.368 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.342 -4.626 7.205 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.566 -9.112 8.895 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.360 -8.622 9.530 1.00 0.00 C ATOM 1039 C GLY A 63 -8.268 -8.255 8.569 1.00 0.00 C ATOM 1040 O GLY A 63 -7.091 -8.390 8.883 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.609 -7.748 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.987 -9.384 10.214 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.638 -7.804 7.409 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.664 -7.457 6.406 1.00 0.00 C ATOM 1046 C LYS A 64 -7.815 -6.001 6.068 1.00 0.00 C ATOM 1047 O LYS A 64 -8.875 -5.424 6.279 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.909 -8.236 5.128 1.00 0.00 C ATOM 1049 CG LYS A 64 -8.144 -9.714 5.280 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.930 -10.486 5.707 1.00 0.00 C ATOM 1051 CE LYS A 64 -7.271 -11.965 5.767 1.00 0.00 C ATOM 1052 NZ LYS A 64 -6.088 -12.792 6.000 1.00 0.00 N ATOM 0 H LYS A 64 -9.609 -7.666 7.128 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.673 -7.684 6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.773 -7.803 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.052 -8.092 4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.937 -9.872 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.501 -10.114 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.113 -10.318 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.589 -10.140 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.996 -12.138 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.745 -12.266 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.341 -13.796 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.352 -12.549 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.728 -12.620 6.961 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.778 -5.416 5.552 1.00 0.00 N ATOM 1067 CA TRP A 65 -6.841 -4.054 5.079 1.00 0.00 C ATOM 1068 C TRP A 65 -6.947 -4.047 3.581 1.00 0.00 C ATOM 1069 O TRP A 65 -6.373 -4.893 2.924 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.637 -3.215 5.563 1.00 0.00 C ATOM 1071 CG TRP A 65 -5.735 -2.862 7.014 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -6.801 -3.112 7.825 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -4.767 -2.170 7.832 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.568 -2.644 9.073 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.340 -2.062 9.114 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.475 -1.627 7.632 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -4.698 -1.455 10.164 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -2.853 -1.033 8.684 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.456 -0.941 9.940 1.00 0.00 C ATOM 0 H TRP A 65 -5.866 -5.860 5.444 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.730 -3.586 5.501 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.716 -3.771 5.389 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.574 -2.301 4.973 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.706 -3.614 7.515 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.213 -2.717 9.860 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -2.995 -1.684 6.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.162 -1.387 11.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -1.865 -0.621 8.545 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.929 -0.454 10.747 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.717 -3.145 3.049 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.850 -3.056 1.616 1.00 0.00 C ATOM 1092 C LEU A 66 -6.741 -2.190 1.081 1.00 0.00 C ATOM 1093 O LEU A 66 -6.719 -0.968 1.310 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.276 -2.571 1.200 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.590 -2.360 -0.318 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -9.120 -0.998 -0.816 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.960 -3.463 -1.163 1.00 0.00 C ATOM 0 H LEU A 66 -8.261 -2.462 3.577 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.750 -4.045 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.996 -3.292 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.465 -1.626 1.710 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.674 -2.402 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.359 -0.895 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.622 -0.211 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.042 -0.912 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.193 -3.294 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.879 -3.455 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.358 -4.430 -0.854 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.825 -2.822 0.417 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.704 -2.159 -0.135 1.00 0.00 C ATOM 1111 C GLY A 67 -4.712 -2.225 -1.637 1.00 0.00 C ATOM 1112 O GLY A 67 -5.587 -2.842 -2.232 1.00 0.00 O ATOM 0 H GLY A 67 -5.842 -3.827 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.702 -1.117 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.788 -2.611 0.246 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.756 -1.594 -2.229 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.571 -1.556 -3.658 1.00 0.00 C ATOM 1118 C ARG A 68 -2.100 -1.369 -3.941 1.00 0.00 C ATOM 1119 O ARG A 68 -1.432 -0.668 -3.195 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.348 -0.391 -4.286 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.877 0.995 -3.844 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.635 2.092 -4.545 1.00 0.00 C ATOM 1123 NE ARG A 68 -4.189 3.411 -4.126 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.902 4.532 -4.205 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -6.125 4.536 -4.750 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -4.363 5.651 -3.762 1.00 0.00 N ATOM 0 H ARG A 68 -3.048 -1.066 -1.719 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.940 -2.487 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.267 -0.460 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.404 -0.499 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.005 1.096 -2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.812 1.100 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.507 1.991 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.700 1.986 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.248 3.483 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.524 3.670 -5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.657 5.405 -4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.421 5.643 -3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.888 6.524 -3.811 1.00 0.00 H new ATOM 1140 N THR A 69 -1.593 -1.992 -4.960 1.00 0.00 N ATOM 1141 CA THR A 69 -0.229 -1.767 -5.369 1.00 0.00 C ATOM 1142 C THR A 69 -0.158 -0.476 -6.170 1.00 0.00 C ATOM 1143 O THR A 69 -1.204 0.103 -6.519 1.00 0.00 O ATOM 1144 CB THR A 69 0.281 -2.931 -6.237 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.689 -3.241 -7.260 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.571 -4.165 -5.399 1.00 0.00 C ATOM 0 H THR A 69 -2.102 -2.666 -5.531 1.00 0.00 H new ATOM 0 HA THR A 69 0.397 -1.697 -4.480 1.00 0.00 H new ATOM 0 HB THR A 69 1.215 -2.620 -6.705 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.359 -3.981 -7.810 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.929 -4.967 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.333 -3.929 -4.656 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.341 -4.485 -4.895 1.00 0.00 H new ATOM 1154 N ALA A 70 1.041 -0.041 -6.510 1.00 0.00 N ATOM 1155 CA ALA A 70 1.204 1.146 -7.324 1.00 0.00 C ATOM 1156 C ALA A 70 0.849 0.812 -8.775 1.00 0.00 C ATOM 1157 O ALA A 70 0.725 1.681 -9.627 1.00 0.00 O ATOM 1158 CB ALA A 70 2.622 1.686 -7.205 1.00 0.00 C ATOM 0 H ALA A 70 1.914 -0.492 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 70 0.532 1.928 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.725 2.578 -7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.829 1.940 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.329 0.928 -7.541 1.00 0.00 H new ATOM 1164 N ARG A 71 0.698 -0.477 -9.040 1.00 0.00 N ATOM 1165 CA ARG A 71 0.261 -0.968 -10.330 1.00 0.00 C ATOM 1166 C ARG A 71 -1.268 -0.932 -10.442 1.00 0.00 C ATOM 1167 O ARG A 71 -1.822 -1.184 -11.505 1.00 0.00 O ATOM 1168 CB ARG A 71 0.786 -2.383 -10.592 1.00 0.00 C ATOM 1169 CG ARG A 71 2.294 -2.463 -10.737 1.00 0.00 C ATOM 1170 CD ARG A 71 2.754 -3.869 -11.086 1.00 0.00 C ATOM 1171 NE ARG A 71 4.206 -3.911 -11.311 1.00 0.00 N ATOM 1172 CZ ARG A 71 4.895 -4.939 -11.829 1.00 0.00 C ATOM 1173 NH1 ARG A 71 4.329 -6.129 -11.959 1.00 0.00 N ATOM 1174 NH2 ARG A 71 6.178 -4.778 -12.156 1.00 0.00 N ATOM 0 H ARG A 71 0.878 -1.214 -8.358 1.00 0.00 H new ATOM 0 HA ARG A 71 0.676 -0.308 -11.091 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.475 -3.033 -9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.323 -2.769 -11.500 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.622 -1.770 -11.512 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.766 -2.147 -9.807 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.488 -4.552 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.234 -4.213 -11.980 1.00 0.00 H new ATOM 0 HE ARG A 71 4.739 -3.082 -11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.363 -6.269 -11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.859 -6.906 -12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.632 -3.876 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.705 -5.557 -12.550 1.00 0.00 H new ATOM 1188 N GLY A 72 -1.937 -0.634 -9.347 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.377 -0.521 -9.378 1.00 0.00 C ATOM 1190 C GLY A 72 -4.091 -1.825 -9.094 1.00 0.00 C ATOM 1191 O GLY A 72 -5.235 -2.014 -9.497 1.00 0.00 O ATOM 0 H GLY A 72 -1.511 -0.468 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.691 0.223 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.684 -0.154 -10.357 1.00 0.00 H new ATOM 1195 N SER A 73 -3.438 -2.726 -8.414 1.00 0.00 N ATOM 1196 CA SER A 73 -4.055 -3.965 -8.063 1.00 0.00 C ATOM 1197 C SER A 73 -4.448 -3.913 -6.605 1.00 0.00 C ATOM 1198 O SER A 73 -3.600 -3.787 -5.736 1.00 0.00 O ATOM 1199 CB SER A 73 -3.103 -5.116 -8.343 1.00 0.00 C ATOM 1200 OG SER A 73 -2.680 -5.059 -9.702 1.00 0.00 O ATOM 0 H SER A 73 -2.476 -2.621 -8.093 1.00 0.00 H new ATOM 0 HA SER A 73 -4.950 -4.127 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.240 -5.059 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.596 -6.067 -8.144 1.00 0.00 H new ATOM 0 HG SER A 73 -2.065 -5.799 -9.884 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.723 -3.924 -6.364 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.266 -3.865 -5.017 1.00 0.00 C ATOM 1208 C TYR A 74 -6.428 -5.258 -4.447 1.00 0.00 C ATOM 1209 O TYR A 74 -6.676 -6.227 -5.191 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.620 -3.136 -4.992 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.579 -1.647 -5.310 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.198 -1.179 -6.566 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.933 -0.709 -4.345 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.169 0.171 -6.845 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.909 0.645 -4.618 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.525 1.081 -5.870 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.473 2.437 -6.140 1.00 0.00 O ATOM 0 H TYR A 74 -6.433 -3.974 -7.095 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.560 -3.305 -4.403 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.286 -3.622 -5.705 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.062 -3.265 -4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.921 -1.886 -7.334 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.232 -1.046 -3.364 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.869 0.515 -7.824 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.189 1.358 -3.857 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.366 2.826 -6.033 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.265 -5.372 -3.164 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.434 -6.642 -2.509 1.00 0.00 C ATOM 1229 C GLY A 75 -6.464 -6.500 -1.022 1.00 0.00 C ATOM 1230 O GLY A 75 -6.049 -5.460 -0.497 1.00 0.00 O ATOM 0 H GLY A 75 -6.014 -4.601 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.360 -7.106 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.620 -7.309 -2.794 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.989 -7.504 -0.331 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.919 -7.522 1.103 1.00 0.00 C ATOM 1236 C TYR A 76 -5.500 -7.759 1.527 1.00 0.00 C ATOM 1237 O TYR A 76 -4.664 -8.212 0.744 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.828 -8.579 1.737 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.280 -8.206 1.846 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.661 -6.960 2.330 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.269 -9.116 1.534 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.985 -6.639 2.496 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.599 -8.799 1.685 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.950 -7.559 2.170 1.00 0.00 C ATOM 1245 OH TYR A 76 -13.277 -7.250 2.353 1.00 0.00 O ATOM 0 H TYR A 76 -7.462 -8.306 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.272 -6.552 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.750 -9.497 1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.453 -8.803 2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.903 -6.233 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.994 -10.093 1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.266 -5.669 2.880 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.362 -9.517 1.425 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.831 -8.008 2.072 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.223 -7.447 2.726 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.913 -7.571 3.244 1.00 0.00 C ATOM 1257 C ILE A 77 -3.991 -8.035 4.664 1.00 0.00 C ATOM 1258 O ILE A 77 -4.730 -7.435 5.462 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.218 -6.181 3.257 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.126 -5.590 1.864 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.840 -6.302 3.836 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.705 -4.165 1.832 1.00 0.00 C ATOM 0 H ILE A 77 -5.907 -7.091 3.393 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.357 -8.275 2.625 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.823 -5.515 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.420 -6.179 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.098 -5.681 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.360 -5.323 3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.906 -6.679 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.251 -6.992 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.665 -3.821 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.422 -3.561 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.719 -4.067 2.286 1.00 0.00 H new ATOM 1274 N LYS A 78 -3.293 -9.109 4.993 1.00 0.00 N ATOM 1275 CA LYS A 78 -3.124 -9.430 6.391 1.00 0.00 C ATOM 1276 C LYS A 78 -2.312 -8.274 6.951 1.00 0.00 C ATOM 1277 O LYS A 78 -1.287 -7.930 6.371 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.304 -10.704 6.599 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.901 -11.972 6.039 1.00 0.00 C ATOM 1280 CD LYS A 78 -1.964 -13.155 6.229 1.00 0.00 C ATOM 1281 CE LYS A 78 -2.559 -14.455 5.691 1.00 0.00 C ATOM 1282 NZ LYS A 78 -2.876 -14.374 4.249 1.00 0.00 N ATOM 0 H LYS A 78 -2.850 -9.750 4.335 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.095 -9.583 6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.322 -10.558 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.147 -10.841 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.852 -12.176 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.112 -11.839 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.020 -12.953 5.723 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.739 -13.272 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.856 -15.271 5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.466 -14.694 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.949 -15.334 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.780 -13.877 4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.122 -13.854 3.756 1.00 0.00 H new ATOM 1296 N THR A 79 -2.697 -7.714 8.056 1.00 0.00 N ATOM 1297 CA THR A 79 -2.058 -6.489 8.559 1.00 0.00 C ATOM 1298 C THR A 79 -0.588 -6.715 8.975 1.00 0.00 C ATOM 1299 O THR A 79 0.152 -5.778 9.236 1.00 0.00 O ATOM 1300 CB THR A 79 -2.863 -5.925 9.735 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.861 -6.855 10.832 1.00 0.00 O ATOM 1302 CG2 THR A 79 -4.291 -5.700 9.304 1.00 0.00 C ATOM 0 H THR A 79 -3.451 -8.070 8.644 1.00 0.00 H new ATOM 0 HA THR A 79 -2.049 -5.769 7.741 1.00 0.00 H new ATOM 0 HB THR A 79 -2.407 -4.986 10.050 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.377 -6.483 11.577 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.864 -5.299 10.140 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.314 -4.992 8.475 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.728 -6.646 8.985 1.00 0.00 H new ATOM 1310 N THR A 80 -0.189 -7.958 8.988 1.00 0.00 N ATOM 1311 CA THR A 80 1.130 -8.361 9.363 1.00 0.00 C ATOM 1312 C THR A 80 1.990 -8.602 8.111 1.00 0.00 C ATOM 1313 O THR A 80 3.211 -8.668 8.189 1.00 0.00 O ATOM 1314 CB THR A 80 1.031 -9.639 10.219 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.326 -10.129 10.614 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.264 -10.716 9.477 1.00 0.00 C ATOM 0 H THR A 80 -0.794 -8.737 8.730 1.00 0.00 H new ATOM 0 HA THR A 80 1.608 -7.574 9.946 1.00 0.00 H new ATOM 0 HB THR A 80 0.490 -9.377 11.129 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.218 -10.938 11.156 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.204 -11.611 10.096 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.742 -10.359 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.778 -10.953 8.546 1.00 0.00 H new ATOM 1324 N ALA A 81 1.337 -8.700 6.956 1.00 0.00 N ATOM 1325 CA ALA A 81 2.033 -8.918 5.684 1.00 0.00 C ATOM 1326 C ALA A 81 2.674 -7.621 5.248 1.00 0.00 C ATOM 1327 O ALA A 81 3.612 -7.595 4.445 1.00 0.00 O ATOM 1328 CB ALA A 81 1.067 -9.421 4.598 1.00 0.00 C ATOM 0 H ALA A 81 0.323 -8.632 6.871 1.00 0.00 H new ATOM 0 HA ALA A 81 2.796 -9.683 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.613 -9.573 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.622 -10.364 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.280 -8.683 4.441 1.00 0.00 H new ATOM 1334 N VAL A 82 2.172 -6.545 5.806 1.00 0.00 N ATOM 1335 CA VAL A 82 2.645 -5.233 5.479 1.00 0.00 C ATOM 1336 C VAL A 82 3.054 -4.494 6.712 1.00 0.00 C ATOM 1337 O VAL A 82 2.756 -4.916 7.837 1.00 0.00 O ATOM 1338 CB VAL A 82 1.604 -4.396 4.691 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.289 -5.079 3.407 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.324 -4.194 5.477 1.00 0.00 C ATOM 0 H VAL A 82 1.424 -6.561 6.499 1.00 0.00 H new ATOM 0 HA VAL A 82 3.510 -5.374 4.831 1.00 0.00 H new ATOM 0 HB VAL A 82 2.041 -3.415 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.557 -4.492 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.199 -5.178 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.880 -6.068 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.376 -3.603 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.121 -5.163 5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.547 -3.671 6.407 1.00 0.00 H new ATOM 1350 N GLU A 83 3.745 -3.426 6.508 1.00 0.00 N ATOM 1351 CA GLU A 83 4.187 -2.589 7.562 1.00 0.00 C ATOM 1352 C GLU A 83 3.698 -1.186 7.255 1.00 0.00 C ATOM 1353 O GLU A 83 4.082 -0.605 6.252 1.00 0.00 O ATOM 1354 CB GLU A 83 5.716 -2.621 7.625 1.00 0.00 C ATOM 1355 CG GLU A 83 6.302 -4.023 7.588 1.00 0.00 C ATOM 1356 CD GLU A 83 7.795 -4.043 7.714 1.00 0.00 C ATOM 1357 OE1 GLU A 83 8.498 -3.632 6.765 1.00 0.00 O ATOM 1358 OE2 GLU A 83 8.308 -4.488 8.764 1.00 0.00 O ATOM 0 H GLU A 83 4.023 -3.105 5.581 1.00 0.00 H new ATOM 0 HA GLU A 83 3.799 -2.922 8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.117 -2.047 6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.043 -2.124 8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.868 -4.613 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.016 -4.504 6.653 1.00 0.00 H new ATOM 1365 N ILE A 84 2.793 -0.698 8.039 1.00 0.00 N ATOM 1366 CA ILE A 84 2.280 0.641 7.852 1.00 0.00 C ATOM 1367 C ILE A 84 3.121 1.629 8.614 1.00 0.00 C ATOM 1368 O ILE A 84 3.332 1.484 9.838 1.00 0.00 O ATOM 1369 CB ILE A 84 0.749 0.780 8.236 1.00 0.00 C ATOM 1370 CG1 ILE A 84 -0.168 0.404 7.091 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.377 2.152 8.724 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.073 -0.989 6.653 1.00 0.00 C ATOM 0 H ILE A 84 2.384 -1.203 8.825 1.00 0.00 H new ATOM 0 HA ILE A 84 2.344 0.861 6.786 1.00 0.00 H new ATOM 0 HB ILE A 84 0.611 0.077 9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.197 0.606 7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.051 1.052 6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.685 2.176 8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.960 2.392 9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.586 2.885 7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.767 -1.160 5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.944 -1.197 6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.324 -1.649 7.483 1.00 0.00 H new ATOM 1384 N ASP A 85 3.627 2.599 7.908 1.00 0.00 N ATOM 1385 CA ASP A 85 4.379 3.646 8.531 1.00 0.00 C ATOM 1386 C ASP A 85 3.521 4.838 8.681 1.00 0.00 C ATOM 1387 O ASP A 85 2.725 5.180 7.789 1.00 0.00 O ATOM 1388 CB ASP A 85 5.620 4.066 7.758 1.00 0.00 C ATOM 1389 CG ASP A 85 6.669 2.999 7.629 1.00 0.00 C ATOM 1390 OD1 ASP A 85 7.060 2.391 8.653 1.00 0.00 O ATOM 1391 OD2 ASP A 85 7.183 2.802 6.510 1.00 0.00 O ATOM 0 H ASP A 85 3.531 2.685 6.896 1.00 0.00 H new ATOM 0 HA ASP A 85 4.710 3.245 9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.319 4.384 6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.061 4.933 8.249 1.00 0.00 H new