USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 478 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 259 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 261 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 220 HIS : no HD1:sc= -0.0061 X(o=-0.0061,f=-0.018) USER MOD Single : A 230 MET CE :methyl -145:sc= -3.54! (180deg=-6.32!) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.17) USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 240 ASN : amide:sc= -2.53! C(o=-2.5!,f=-6.1!) USER MOD Single : A 242 GLN : amide:sc=-0.00169 X(o=-0.0017,f=-0.066) USER MOD Single : A 243 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.16) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 THR OG1 : rot 155:sc= -2.26 USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot 43:sc= 0.00369 USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 12.582 -9.400 -5.964 1.00 0.00 N ATOM 149 CA ALA A 217 11.504 -9.766 -5.053 1.00 0.00 C ATOM 150 C ALA A 217 10.955 -11.151 -5.381 1.00 0.00 C ATOM 151 O ALA A 217 10.328 -11.350 -6.420 1.00 0.00 O ATOM 152 CB ALA A 217 10.393 -8.729 -5.107 1.00 0.00 C ATOM 0 HA ALA A 217 11.910 -9.795 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.595 -9.015 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.789 -7.756 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.998 -8.672 -6.121 1.00 0.00 H new ATOM 158 N ALA A 218 11.195 -12.104 -4.486 1.00 0.00 N ATOM 159 CA ALA A 218 10.723 -13.469 -4.680 1.00 0.00 C ATOM 160 C ALA A 218 9.208 -13.508 -4.848 1.00 0.00 C ATOM 161 O ALA A 218 8.688 -14.192 -5.730 1.00 0.00 O ATOM 162 CB ALA A 218 11.149 -14.346 -3.511 1.00 0.00 C ATOM 0 H ALA A 218 11.713 -11.956 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 218 11.173 -13.856 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.790 -15.363 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.237 -14.353 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.726 -13.951 -2.587 1.00 0.00 H new ATOM 168 N PHE A 219 8.504 -12.769 -3.997 1.00 0.00 N ATOM 169 CA PHE A 219 7.047 -12.720 -4.050 1.00 0.00 C ATOM 170 C PHE A 219 6.568 -11.374 -4.584 1.00 0.00 C ATOM 171 O PHE A 219 7.148 -10.331 -4.282 1.00 0.00 O ATOM 172 CB PHE A 219 6.456 -12.971 -2.661 1.00 0.00 C ATOM 173 CG PHE A 219 6.627 -14.384 -2.183 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.794 -14.778 -1.547 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.622 -15.319 -2.369 1.00 0.00 C ATOM 176 CE1 PHE A 219 7.954 -16.078 -1.106 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.776 -16.621 -1.930 1.00 0.00 C ATOM 178 CZ PHE A 219 6.943 -17.000 -1.297 1.00 0.00 C ATOM 0 H PHE A 219 8.919 -12.196 -3.262 1.00 0.00 H new ATOM 0 HA PHE A 219 6.706 -13.502 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 219 6.927 -12.295 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.394 -12.728 -2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.587 -14.061 -1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.707 -15.027 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 219 8.868 -16.373 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 219 4.985 -17.340 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 219 7.065 -18.016 -0.952 1.00 0.00 H new ATOM 188 N HIS A 220 5.504 -11.405 -5.380 1.00 0.00 N ATOM 189 CA HIS A 220 4.945 -10.187 -5.957 1.00 0.00 C ATOM 190 C HIS A 220 3.429 -10.154 -5.791 1.00 0.00 C ATOM 191 O HIS A 220 2.757 -11.175 -5.934 1.00 0.00 O ATOM 192 CB HIS A 220 5.310 -10.086 -7.439 1.00 0.00 C ATOM 193 CG HIS A 220 4.643 -11.121 -8.292 1.00 0.00 C ATOM 194 ND1 HIS A 220 5.105 -12.416 -8.403 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.543 -11.047 -9.077 1.00 0.00 C ATOM 196 CE1 HIS A 220 4.318 -13.093 -9.220 1.00 0.00 C ATOM 197 NE2 HIS A 220 3.362 -12.285 -9.642 1.00 0.00 N ATOM 0 H HIS A 220 5.012 -12.260 -5.640 1.00 0.00 H new ATOM 0 HA HIS A 220 5.370 -9.334 -5.427 1.00 0.00 H new ATOM 0 HB2 HIS A 220 5.039 -9.096 -7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.391 -10.180 -7.546 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.923 -10.176 -9.230 1.00 0.00 H new ATOM 0 HE1 HIS A 220 4.436 -14.130 -9.496 1.00 0.00 H new ATOM 0 HE2 HIS A 220 2.611 -12.540 -10.284 1.00 0.00 H new ATOM 205 N GLU A 221 2.898 -8.973 -5.487 1.00 0.00 N ATOM 206 CA GLU A 221 1.461 -8.808 -5.300 1.00 0.00 C ATOM 207 C GLU A 221 0.859 -7.967 -6.421 1.00 0.00 C ATOM 208 O GLU A 221 1.470 -7.004 -6.884 1.00 0.00 O ATOM 209 CB GLU A 221 1.172 -8.156 -3.946 1.00 0.00 C ATOM 210 CG GLU A 221 1.243 -9.123 -2.777 1.00 0.00 C ATOM 211 CD GLU A 221 -0.014 -9.958 -2.633 1.00 0.00 C ATOM 212 OE1 GLU A 221 -0.331 -10.719 -3.571 1.00 0.00 O ATOM 213 OE2 GLU A 221 -0.682 -9.849 -1.583 1.00 0.00 O ATOM 0 H GLU A 221 3.441 -8.118 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 221 1.002 -9.796 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.885 -7.348 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 221 0.180 -7.705 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 221 2.100 -9.783 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 221 1.410 -8.563 -1.857 1.00 0.00 H new ATOM 220 N GLU A 222 -0.342 -8.339 -6.853 1.00 0.00 N ATOM 221 CA GLU A 222 -1.025 -7.619 -7.922 1.00 0.00 C ATOM 222 C GLU A 222 -2.539 -7.682 -7.738 1.00 0.00 C ATOM 223 O GLU A 222 -3.149 -8.742 -7.880 1.00 0.00 O ATOM 224 CB GLU A 222 -0.641 -8.199 -9.285 1.00 0.00 C ATOM 225 CG GLU A 222 -1.440 -7.620 -10.440 1.00 0.00 C ATOM 226 CD GLU A 222 -2.875 -8.111 -10.461 1.00 0.00 C ATOM 227 OE1 GLU A 222 -3.100 -9.269 -10.871 1.00 0.00 O ATOM 228 OE2 GLU A 222 -3.772 -7.336 -10.068 1.00 0.00 O ATOM 0 H GLU A 222 -0.862 -9.134 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.714 -6.575 -7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 222 0.419 -8.019 -9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -0.781 -9.280 -9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -1.433 -6.532 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -0.956 -7.884 -11.380 1.00 0.00 H new ATOM 235 N PHE A 223 -3.139 -6.539 -7.422 1.00 0.00 N ATOM 236 CA PHE A 223 -4.580 -6.464 -7.217 1.00 0.00 C ATOM 237 C PHE A 223 -5.146 -5.172 -7.801 1.00 0.00 C ATOM 238 O PHE A 223 -4.454 -4.156 -7.876 1.00 0.00 O ATOM 239 CB PHE A 223 -4.910 -6.549 -5.725 1.00 0.00 C ATOM 240 CG PHE A 223 -4.143 -5.570 -4.884 1.00 0.00 C ATOM 241 CD1 PHE A 223 -2.909 -5.910 -4.354 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.656 -4.309 -4.624 1.00 0.00 C ATOM 243 CE1 PHE A 223 -2.199 -5.010 -3.580 1.00 0.00 C ATOM 244 CE2 PHE A 223 -3.951 -3.406 -3.851 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.722 -3.757 -3.327 1.00 0.00 C ATOM 0 H PHE A 223 -2.649 -5.652 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 223 -5.039 -7.308 -7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -5.977 -6.376 -5.587 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.702 -7.559 -5.372 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.497 -6.889 -4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.617 -4.029 -5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -1.237 -5.287 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -4.361 -2.426 -3.657 1.00 0.00 H new ATOM 0 HZ PHE A 223 -2.171 -3.053 -2.721 1.00 0.00 H new ATOM 255 N VAL A 224 -6.408 -5.219 -8.214 1.00 0.00 N ATOM 256 CA VAL A 224 -7.068 -4.054 -8.791 1.00 0.00 C ATOM 257 C VAL A 224 -7.887 -3.311 -7.742 1.00 0.00 C ATOM 258 O VAL A 224 -8.624 -3.921 -6.967 1.00 0.00 O ATOM 259 CB VAL A 224 -7.990 -4.452 -9.959 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.498 -3.215 -10.684 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.262 -5.381 -10.919 1.00 0.00 C ATOM 0 H VAL A 224 -6.994 -6.052 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.282 -3.398 -9.166 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.850 -4.986 -9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.148 -3.516 -11.506 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.058 -2.590 -9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.652 -2.651 -11.078 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.928 -5.652 -11.738 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.383 -4.875 -11.318 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.953 -6.282 -10.389 1.00 0.00 H new ATOM 271 N VAL A 225 -7.754 -1.988 -7.723 1.00 0.00 N ATOM 272 CA VAL A 225 -8.483 -1.160 -6.770 1.00 0.00 C ATOM 273 C VAL A 225 -9.410 -0.184 -7.486 1.00 0.00 C ATOM 274 O VAL A 225 -9.033 0.423 -8.488 1.00 0.00 O ATOM 275 CB VAL A 225 -7.522 -0.368 -5.864 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.294 0.606 -4.988 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.687 -1.315 -5.016 1.00 0.00 C ATOM 0 H VAL A 225 -7.148 -1.467 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 225 -9.077 -1.835 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.846 0.208 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.598 1.156 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -8.843 1.306 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -8.996 0.055 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -6.014 -0.738 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.344 -1.920 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.104 -1.967 -5.666 1.00 0.00 H new ATOM 287 N ARG A 226 -10.624 -0.039 -6.965 1.00 0.00 N ATOM 288 CA ARG A 226 -11.605 0.863 -7.555 1.00 0.00 C ATOM 289 C ARG A 226 -11.058 2.285 -7.635 1.00 0.00 C ATOM 290 O ARG A 226 -10.546 2.819 -6.652 1.00 0.00 O ATOM 291 CB ARG A 226 -12.899 0.849 -6.738 1.00 0.00 C ATOM 292 CG ARG A 226 -13.884 -0.222 -7.178 1.00 0.00 C ATOM 293 CD ARG A 226 -15.065 -0.317 -6.224 1.00 0.00 C ATOM 294 NE ARG A 226 -15.704 -1.629 -6.273 1.00 0.00 N ATOM 295 CZ ARG A 226 -16.564 -2.063 -5.358 1.00 0.00 C ATOM 296 NH1 ARG A 226 -16.886 -1.292 -4.328 1.00 0.00 N ATOM 297 NH2 ARG A 226 -17.103 -3.270 -5.472 1.00 0.00 N ATOM 0 H ARG A 226 -10.951 -0.535 -6.136 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.817 0.516 -8.566 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.654 0.696 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.378 1.825 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -14.243 0.003 -8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -13.377 -1.186 -7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -14.727 -0.116 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -15.796 0.452 -6.474 1.00 0.00 H new ATOM 0 HE ARG A 226 -15.478 -2.246 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -16.473 -0.364 -4.237 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -17.546 -1.627 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -16.857 -3.866 -6.263 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -17.763 -3.602 -4.769 1.00 0.00 H new ATOM 311 N GLU A 227 -11.169 2.891 -8.813 1.00 0.00 N ATOM 312 CA GLU A 227 -10.684 4.251 -9.021 1.00 0.00 C ATOM 313 C GLU A 227 -11.349 5.221 -8.049 1.00 0.00 C ATOM 314 O GLU A 227 -10.818 6.295 -7.766 1.00 0.00 O ATOM 315 CB GLU A 227 -10.947 4.695 -10.462 1.00 0.00 C ATOM 316 CG GLU A 227 -10.414 3.726 -11.504 1.00 0.00 C ATOM 317 CD GLU A 227 -11.214 3.757 -12.792 1.00 0.00 C ATOM 318 OE1 GLU A 227 -10.939 4.633 -13.639 1.00 0.00 O ATOM 319 OE2 GLU A 227 -12.113 2.907 -12.954 1.00 0.00 O ATOM 0 H GLU A 227 -11.590 2.462 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.610 4.258 -8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -12.021 4.816 -10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -10.492 5.673 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -9.373 3.968 -11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -10.428 2.715 -11.096 1.00 0.00 H new ATOM 326 N ASP A 228 -12.515 4.834 -7.542 1.00 0.00 N ATOM 327 CA ASP A 228 -13.253 5.668 -6.601 1.00 0.00 C ATOM 328 C ASP A 228 -12.741 5.467 -5.178 1.00 0.00 C ATOM 329 O ASP A 228 -12.962 6.306 -4.303 1.00 0.00 O ATOM 330 CB ASP A 228 -14.748 5.349 -6.668 1.00 0.00 C ATOM 331 CG ASP A 228 -15.568 6.220 -5.737 1.00 0.00 C ATOM 332 OD1 ASP A 228 -15.723 7.424 -6.033 1.00 0.00 O ATOM 333 OD2 ASP A 228 -16.055 5.698 -4.713 1.00 0.00 O ATOM 0 H ASP A 228 -12.969 3.949 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 228 -13.098 6.710 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -15.100 5.484 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -14.905 4.301 -6.413 1.00 0.00 H new ATOM 338 N LEU A 229 -12.056 4.352 -4.954 1.00 0.00 N ATOM 339 CA LEU A 229 -11.512 4.039 -3.637 1.00 0.00 C ATOM 340 C LEU A 229 -10.024 4.365 -3.571 1.00 0.00 C ATOM 341 O LEU A 229 -9.453 4.492 -2.488 1.00 0.00 O ATOM 342 CB LEU A 229 -11.738 2.563 -3.307 1.00 0.00 C ATOM 343 CG LEU A 229 -13.161 2.176 -2.899 1.00 0.00 C ATOM 344 CD1 LEU A 229 -13.234 0.696 -2.559 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.626 3.020 -1.722 1.00 0.00 C ATOM 0 H LEU A 229 -11.864 3.649 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 229 -12.032 4.652 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -11.457 1.970 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -11.061 2.284 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.826 2.367 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -14.253 0.439 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -12.943 0.108 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.558 0.479 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.640 2.731 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.959 2.861 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.612 4.073 -2.002 1.00 0.00 H new ATOM 357 N MET A 230 -9.401 4.501 -4.737 1.00 0.00 N ATOM 358 CA MET A 230 -7.979 4.815 -4.812 1.00 0.00 C ATOM 359 C MET A 230 -7.617 5.929 -3.835 1.00 0.00 C ATOM 360 O MET A 230 -6.890 5.708 -2.867 1.00 0.00 O ATOM 361 CB MET A 230 -7.599 5.226 -6.236 1.00 0.00 C ATOM 362 CG MET A 230 -7.508 4.056 -7.202 1.00 0.00 C ATOM 363 SD MET A 230 -6.338 2.796 -6.659 1.00 0.00 S ATOM 364 CE MET A 230 -5.229 2.736 -8.064 1.00 0.00 C ATOM 0 H MET A 230 -9.859 4.399 -5.643 1.00 0.00 H new ATOM 0 HA MET A 230 -7.420 3.920 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.335 5.938 -6.609 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.640 5.743 -6.213 1.00 0.00 H new ATOM 0 HG2 MET A 230 -8.494 3.606 -7.315 1.00 0.00 H new ATOM 0 HG3 MET A 230 -7.211 4.423 -8.184 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.883 1.713 -8.211 1.00 0.00 H new ATOM 0 HE2 MET A 230 -5.755 3.073 -8.957 1.00 0.00 H new ATOM 0 HE3 MET A 230 -4.373 3.386 -7.880 1.00 0.00 H new ATOM 374 N GLY A 231 -8.129 7.129 -4.096 1.00 0.00 N ATOM 375 CA GLY A 231 -7.847 8.259 -3.231 1.00 0.00 C ATOM 376 C GLY A 231 -7.864 7.884 -1.762 1.00 0.00 C ATOM 377 O GLY A 231 -7.026 8.346 -0.986 1.00 0.00 O ATOM 0 H GLY A 231 -8.733 7.338 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -6.871 8.673 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -8.583 9.043 -3.411 1.00 0.00 H new ATOM 381 N LEU A 232 -8.821 7.047 -1.378 1.00 0.00 N ATOM 382 CA LEU A 232 -8.945 6.611 0.008 1.00 0.00 C ATOM 383 C LEU A 232 -7.798 5.682 0.392 1.00 0.00 C ATOM 384 O LEU A 232 -7.074 5.938 1.353 1.00 0.00 O ATOM 385 CB LEU A 232 -10.284 5.902 0.223 1.00 0.00 C ATOM 386 CG LEU A 232 -11.509 6.807 0.353 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.784 5.979 0.385 1.00 0.00 C ATOM 388 CD2 LEU A 232 -11.402 7.673 1.600 1.00 0.00 C ATOM 0 H LEU A 232 -9.523 6.657 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.902 7.494 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.449 5.219 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -10.210 5.293 1.124 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.547 7.461 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.645 6.641 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.867 5.403 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.755 5.299 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -12.283 8.311 1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -11.338 7.035 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.509 8.294 1.536 1.00 0.00 H new ATOM 400 N ALA A 233 -7.637 4.603 -0.368 1.00 0.00 N ATOM 401 CA ALA A 233 -6.576 3.638 -0.110 1.00 0.00 C ATOM 402 C ALA A 233 -5.218 4.327 -0.024 1.00 0.00 C ATOM 403 O ALA A 233 -4.377 3.960 0.798 1.00 0.00 O ATOM 404 CB ALA A 233 -6.560 2.569 -1.192 1.00 0.00 C ATOM 0 H ALA A 233 -8.228 4.376 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.776 3.163 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.762 1.855 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.518 2.049 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.388 3.036 -2.162 1.00 0.00 H new ATOM 410 N ILE A 234 -5.010 5.324 -0.876 1.00 0.00 N ATOM 411 CA ILE A 234 -3.754 6.063 -0.895 1.00 0.00 C ATOM 412 C ILE A 234 -3.688 7.065 0.253 1.00 0.00 C ATOM 413 O ILE A 234 -2.633 7.271 0.851 1.00 0.00 O ATOM 414 CB ILE A 234 -3.561 6.812 -2.227 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.608 5.831 -3.401 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.245 7.576 -2.220 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.258 6.463 -4.730 1.00 0.00 C ATOM 0 H ILE A 234 -5.695 5.639 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 234 -2.955 5.330 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.374 7.529 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.919 5.010 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.607 5.400 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -2.123 8.100 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -2.248 8.299 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.420 6.878 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.312 5.710 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -3.962 7.266 -4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.247 6.869 -4.685 1.00 0.00 H new ATOM 429 N GLY A 235 -4.824 7.686 0.555 1.00 0.00 N ATOM 430 CA GLY A 235 -4.875 8.657 1.632 1.00 0.00 C ATOM 431 C GLY A 235 -4.702 10.080 1.138 1.00 0.00 C ATOM 432 O GLY A 235 -4.931 10.370 -0.037 1.00 0.00 O ATOM 0 H GLY A 235 -5.710 7.534 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.829 8.569 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -4.095 8.430 2.359 1.00 0.00 H new ATOM 436 N THR A 236 -4.297 10.972 2.037 1.00 0.00 N ATOM 437 CA THR A 236 -4.096 12.372 1.687 1.00 0.00 C ATOM 438 C THR A 236 -2.635 12.653 1.357 1.00 0.00 C ATOM 439 O THR A 236 -1.738 12.314 2.130 1.00 0.00 O ATOM 440 CB THR A 236 -4.542 13.306 2.828 1.00 0.00 C ATOM 441 OG1 THR A 236 -5.860 12.955 3.262 1.00 0.00 O ATOM 442 CG2 THR A 236 -4.521 14.759 2.378 1.00 0.00 C ATOM 0 H THR A 236 -4.102 10.749 3.013 1.00 0.00 H new ATOM 0 HA THR A 236 -4.708 12.568 0.807 1.00 0.00 H new ATOM 0 HB THR A 236 -3.844 13.189 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 236 -6.135 13.552 3.989 1.00 0.00 H new ATOM 0 HG21 THR A 236 -4.840 15.399 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 236 -3.510 15.032 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 236 -5.199 14.888 1.534 1.00 0.00 H new ATOM 450 N HIS A 237 -2.401 13.274 0.206 1.00 0.00 N ATOM 451 CA HIS A 237 -1.046 13.602 -0.225 1.00 0.00 C ATOM 452 C HIS A 237 -0.151 12.367 -0.188 1.00 0.00 C ATOM 453 O HIS A 237 0.971 12.416 0.313 1.00 0.00 O ATOM 454 CB HIS A 237 -0.458 14.700 0.661 1.00 0.00 C ATOM 455 CG HIS A 237 0.794 15.309 0.108 1.00 0.00 C ATOM 456 ND1 HIS A 237 0.814 16.079 -1.035 1.00 0.00 N ATOM 457 CD2 HIS A 237 2.072 15.259 0.550 1.00 0.00 C ATOM 458 CE1 HIS A 237 2.052 16.476 -1.274 1.00 0.00 C ATOM 459 NE2 HIS A 237 2.834 15.992 -0.327 1.00 0.00 N ATOM 0 H HIS A 237 -3.132 13.561 -0.446 1.00 0.00 H new ATOM 0 HA HIS A 237 -1.095 13.963 -1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 237 -1.204 15.483 0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 237 -0.246 14.286 1.647 1.00 0.00 H new ATOM 0 HD2 HIS A 237 2.427 14.740 1.428 1.00 0.00 H new ATOM 0 HE1 HIS A 237 2.370 17.091 -2.103 1.00 0.00 H new ATOM 0 HE2 HIS A 237 3.841 16.139 -0.258 1.00 0.00 H new ATOM 467 N GLY A 238 -0.657 11.259 -0.722 1.00 0.00 N ATOM 468 CA GLY A 238 0.110 10.027 -0.738 1.00 0.00 C ATOM 469 C GLY A 238 0.607 9.635 0.639 1.00 0.00 C ATOM 470 O GLY A 238 1.809 9.666 0.905 1.00 0.00 O ATOM 0 H GLY A 238 -1.584 11.193 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.507 9.224 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 238 0.961 10.141 -1.409 1.00 0.00 H new ATOM 474 N SER A 239 -0.319 9.267 1.519 1.00 0.00 N ATOM 475 CA SER A 239 0.031 8.872 2.878 1.00 0.00 C ATOM 476 C SER A 239 0.226 7.362 2.973 1.00 0.00 C ATOM 477 O SER A 239 1.312 6.885 3.300 1.00 0.00 O ATOM 478 CB SER A 239 -1.055 9.320 3.857 1.00 0.00 C ATOM 479 OG SER A 239 -0.525 9.502 5.159 1.00 0.00 O ATOM 0 H SER A 239 -1.318 9.234 1.315 1.00 0.00 H new ATOM 0 HA SER A 239 0.970 9.359 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 239 -1.501 10.252 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.852 8.577 3.886 1.00 0.00 H new ATOM 0 HG SER A 239 -1.239 9.790 5.765 1.00 0.00 H new ATOM 485 N ASN A 240 -0.834 6.616 2.683 1.00 0.00 N ATOM 486 CA ASN A 240 -0.781 5.159 2.736 1.00 0.00 C ATOM 487 C ASN A 240 0.423 4.630 1.963 1.00 0.00 C ATOM 488 O ASN A 240 1.297 3.973 2.529 1.00 0.00 O ATOM 489 CB ASN A 240 -2.069 4.560 2.167 1.00 0.00 C ATOM 490 CG ASN A 240 -3.295 4.960 2.966 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.567 6.145 3.155 1.00 0.00 O ATOM 492 ND2 ASN A 240 -4.041 3.969 3.440 1.00 0.00 N ATOM 0 H ASN A 240 -1.740 6.995 2.409 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.680 4.862 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -2.191 4.883 1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -1.986 3.473 2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -4.878 4.176 3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.777 3.000 3.259 1.00 0.00 H new ATOM 499 N ILE A 241 0.463 4.923 0.667 1.00 0.00 N ATOM 500 CA ILE A 241 1.561 4.479 -0.183 1.00 0.00 C ATOM 501 C ILE A 241 2.902 4.632 0.527 1.00 0.00 C ATOM 502 O ILE A 241 3.708 3.703 0.558 1.00 0.00 O ATOM 503 CB ILE A 241 1.601 5.264 -1.507 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.451 4.828 -2.418 1.00 0.00 C ATOM 505 CG2 ILE A 241 2.940 5.064 -2.201 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.500 5.455 -3.794 1.00 0.00 C ATOM 0 H ILE A 241 -0.252 5.466 0.183 1.00 0.00 H new ATOM 0 HA ILE A 241 1.386 3.425 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 241 1.483 6.325 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.471 3.743 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.496 5.086 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 241 2.953 5.625 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.742 5.419 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 241 3.086 4.005 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.345 5.101 -4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.449 6.540 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.431 5.176 -4.288 1.00 0.00 H new ATOM 518 N GLN A 242 3.132 5.810 1.097 1.00 0.00 N ATOM 519 CA GLN A 242 4.375 6.084 1.808 1.00 0.00 C ATOM 520 C GLN A 242 4.626 5.039 2.890 1.00 0.00 C ATOM 521 O GLN A 242 5.705 4.452 2.960 1.00 0.00 O ATOM 522 CB GLN A 242 4.334 7.481 2.430 1.00 0.00 C ATOM 523 CG GLN A 242 4.860 8.572 1.512 1.00 0.00 C ATOM 524 CD GLN A 242 4.949 9.921 2.199 1.00 0.00 C ATOM 525 OE1 GLN A 242 5.536 10.044 3.275 1.00 0.00 O ATOM 526 NE2 GLN A 242 4.367 10.941 1.580 1.00 0.00 N ATOM 0 H GLN A 242 2.474 6.590 1.080 1.00 0.00 H new ATOM 0 HA GLN A 242 5.193 6.038 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.306 7.716 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 242 4.920 7.478 3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 242 5.847 8.289 1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.209 8.654 0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 242 3.892 10.793 0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 242 4.395 11.872 1.995 1.00 0.00 H new ATOM 535 N GLN A 243 3.622 4.813 3.731 1.00 0.00 N ATOM 536 CA GLN A 243 3.735 3.839 4.810 1.00 0.00 C ATOM 537 C GLN A 243 4.061 2.454 4.262 1.00 0.00 C ATOM 538 O GLN A 243 4.828 1.703 4.863 1.00 0.00 O ATOM 539 CB GLN A 243 2.436 3.788 5.617 1.00 0.00 C ATOM 540 CG GLN A 243 2.205 5.021 6.477 1.00 0.00 C ATOM 541 CD GLN A 243 3.303 5.232 7.501 1.00 0.00 C ATOM 542 OE1 GLN A 243 3.406 4.491 8.479 1.00 0.00 O ATOM 543 NE2 GLN A 243 4.130 6.248 7.281 1.00 0.00 N ATOM 0 H GLN A 243 2.722 5.291 3.686 1.00 0.00 H new ATOM 0 HA GLN A 243 4.549 4.152 5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 243 1.597 3.671 4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.450 2.906 6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.138 5.900 5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 243 1.248 4.927 6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 243 4.007 6.836 6.457 1.00 0.00 H new ATOM 0 HE22 GLN A 243 4.888 6.440 7.936 1.00 0.00 H new ATOM 552 N ALA A 244 3.474 2.123 3.116 1.00 0.00 N ATOM 553 CA ALA A 244 3.704 0.829 2.486 1.00 0.00 C ATOM 554 C ALA A 244 5.175 0.646 2.129 1.00 0.00 C ATOM 555 O ALA A 244 5.756 -0.412 2.372 1.00 0.00 O ATOM 556 CB ALA A 244 2.836 0.685 1.245 1.00 0.00 C ATOM 0 H ALA A 244 2.836 2.733 2.605 1.00 0.00 H new ATOM 0 HA ALA A 244 3.431 0.051 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 244 3.018 -0.286 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.785 0.763 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 244 3.082 1.475 0.535 1.00 0.00 H new ATOM 562 N ARG A 245 5.772 1.683 1.550 1.00 0.00 N ATOM 563 CA ARG A 245 7.175 1.635 1.157 1.00 0.00 C ATOM 564 C ARG A 245 8.084 1.647 2.384 1.00 0.00 C ATOM 565 O ARG A 245 9.308 1.595 2.264 1.00 0.00 O ATOM 566 CB ARG A 245 7.513 2.818 0.248 1.00 0.00 C ATOM 567 CG ARG A 245 7.108 2.607 -1.202 1.00 0.00 C ATOM 568 CD ARG A 245 7.224 3.893 -2.005 1.00 0.00 C ATOM 569 NE ARG A 245 8.567 4.082 -2.545 1.00 0.00 N ATOM 570 CZ ARG A 245 9.570 4.611 -1.853 1.00 0.00 C ATOM 571 NH1 ARG A 245 9.382 5.002 -0.600 1.00 0.00 N ATOM 572 NH2 ARG A 245 10.764 4.750 -2.414 1.00 0.00 N ATOM 0 H ARG A 245 5.306 2.566 1.343 1.00 0.00 H new ATOM 0 HA ARG A 245 7.342 0.707 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 245 7.017 3.711 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 245 8.586 3.005 0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 245 7.739 1.839 -1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 245 6.082 2.241 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 245 6.504 3.876 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 245 6.966 4.741 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 245 8.745 3.792 -3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 245 8.465 4.897 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 245 10.154 5.408 -0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 245 10.913 4.451 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 245 11.533 5.156 -1.882 1.00 0.00 H new ATOM 586 N LYS A 246 7.476 1.716 3.563 1.00 0.00 N ATOM 587 CA LYS A 246 8.228 1.734 4.812 1.00 0.00 C ATOM 588 C LYS A 246 8.139 0.386 5.520 1.00 0.00 C ATOM 589 O LYS A 246 8.502 0.262 6.690 1.00 0.00 O ATOM 590 CB LYS A 246 7.704 2.840 5.731 1.00 0.00 C ATOM 591 CG LYS A 246 8.159 4.232 5.328 1.00 0.00 C ATOM 592 CD LYS A 246 8.048 5.212 6.484 1.00 0.00 C ATOM 593 CE LYS A 246 8.609 6.576 6.115 1.00 0.00 C ATOM 594 NZ LYS A 246 8.550 7.528 7.259 1.00 0.00 N ATOM 0 H LYS A 246 6.464 1.760 3.680 1.00 0.00 H new ATOM 0 HA LYS A 246 9.273 1.932 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 246 6.614 2.810 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 246 8.033 2.640 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 246 9.192 4.192 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 246 7.556 4.585 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 246 7.003 5.314 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 246 8.584 4.819 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 246 9.643 6.467 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 246 8.048 6.984 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 8.942 8.446 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 7.561 7.652 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 9.106 7.151 8.053 1.00 0.00 H new ATOM 608 N VAL A 247 7.654 -0.623 4.803 1.00 0.00 N ATOM 609 CA VAL A 247 7.520 -1.963 5.362 1.00 0.00 C ATOM 610 C VAL A 247 8.730 -2.825 5.020 1.00 0.00 C ATOM 611 O VAL A 247 9.247 -2.797 3.903 1.00 0.00 O ATOM 612 CB VAL A 247 6.246 -2.660 4.850 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.157 -4.078 5.394 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.010 -1.857 5.228 1.00 0.00 C ATOM 0 H VAL A 247 7.347 -0.538 3.834 1.00 0.00 H new ATOM 0 HA VAL A 247 7.453 -1.849 6.444 1.00 0.00 H new ATOM 0 HB VAL A 247 6.296 -2.716 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.250 -4.554 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.027 -4.648 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.130 -4.049 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.119 -2.365 4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 247 4.952 -1.767 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.072 -0.863 4.784 1.00 0.00 H new ATOM 624 N PRO A 248 9.194 -3.610 6.003 1.00 0.00 N ATOM 625 CA PRO A 248 10.349 -4.496 5.830 1.00 0.00 C ATOM 626 C PRO A 248 10.046 -5.669 4.903 1.00 0.00 C ATOM 627 O PRO A 248 9.014 -6.326 5.035 1.00 0.00 O ATOM 628 CB PRO A 248 10.629 -4.995 7.250 1.00 0.00 C ATOM 629 CG PRO A 248 9.321 -4.888 7.954 1.00 0.00 C ATOM 630 CD PRO A 248 8.627 -3.694 7.360 1.00 0.00 C ATOM 0 HA PRO A 248 11.193 -3.981 5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 248 10.992 -6.023 7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 248 11.392 -4.390 7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 248 8.728 -5.792 7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 248 9.465 -4.762 9.027 1.00 0.00 H new ATOM 0 HD2 PRO A 248 7.546 -3.829 7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 248 8.823 -2.788 7.934 1.00 0.00 H new ATOM 638 N GLY A 249 10.953 -5.927 3.966 1.00 0.00 N ATOM 639 CA GLY A 249 10.764 -7.021 3.031 1.00 0.00 C ATOM 640 C GLY A 249 10.174 -6.561 1.712 1.00 0.00 C ATOM 641 O GLY A 249 9.957 -7.366 0.807 1.00 0.00 O ATOM 0 H GLY A 249 11.816 -5.398 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 249 11.722 -7.507 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.108 -7.768 3.478 1.00 0.00 H new ATOM 645 N VAL A 250 9.912 -5.262 1.603 1.00 0.00 N ATOM 646 CA VAL A 250 9.344 -4.697 0.386 1.00 0.00 C ATOM 647 C VAL A 250 10.412 -3.995 -0.445 1.00 0.00 C ATOM 648 O VAL A 250 10.874 -2.908 -0.094 1.00 0.00 O ATOM 649 CB VAL A 250 8.217 -3.696 0.705 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.755 -2.990 -0.561 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.055 -4.403 1.386 1.00 0.00 C ATOM 0 H VAL A 250 10.084 -4.582 2.343 1.00 0.00 H new ATOM 0 HA VAL A 250 8.931 -5.528 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 250 8.606 -2.943 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 250 6.959 -2.287 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.592 -2.450 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.382 -3.726 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.268 -3.681 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.664 -5.178 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.399 -4.857 2.315 1.00 0.00 H new ATOM 661 N THR A 251 10.801 -4.622 -1.551 1.00 0.00 N ATOM 662 CA THR A 251 11.816 -4.059 -2.432 1.00 0.00 C ATOM 663 C THR A 251 11.351 -2.736 -3.031 1.00 0.00 C ATOM 664 O THR A 251 11.998 -1.704 -2.858 1.00 0.00 O ATOM 665 CB THR A 251 12.170 -5.030 -3.574 1.00 0.00 C ATOM 666 OG1 THR A 251 11.060 -5.160 -4.469 1.00 0.00 O ATOM 667 CG2 THR A 251 12.547 -6.397 -3.024 1.00 0.00 C ATOM 0 H THR A 251 10.428 -5.520 -1.858 1.00 0.00 H new ATOM 0 HA THR A 251 12.703 -3.887 -1.823 1.00 0.00 H new ATOM 0 HB THR A 251 13.025 -4.624 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 251 11.384 -5.424 -5.356 1.00 0.00 H new ATOM 0 HG21 THR A 251 12.793 -7.066 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.411 -6.299 -2.366 1.00 0.00 H new ATOM 0 HG23 THR A 251 11.708 -6.807 -2.462 1.00 0.00 H new ATOM 675 N ALA A 252 10.224 -2.775 -3.735 1.00 0.00 N ATOM 676 CA ALA A 252 9.671 -1.578 -4.358 1.00 0.00 C ATOM 677 C ALA A 252 8.154 -1.673 -4.477 1.00 0.00 C ATOM 678 O ALA A 252 7.588 -2.767 -4.470 1.00 0.00 O ATOM 679 CB ALA A 252 10.297 -1.358 -5.727 1.00 0.00 C ATOM 0 H ALA A 252 9.676 -3.622 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 252 9.907 -0.725 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.875 -0.461 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.375 -1.237 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 252 10.090 -2.218 -6.364 1.00 0.00 H new ATOM 685 N ILE A 253 7.500 -0.521 -4.585 1.00 0.00 N ATOM 686 CA ILE A 253 6.049 -0.475 -4.706 1.00 0.00 C ATOM 687 C ILE A 253 5.622 0.411 -5.871 1.00 0.00 C ATOM 688 O ILE A 253 5.834 1.623 -5.852 1.00 0.00 O ATOM 689 CB ILE A 253 5.392 0.044 -3.413 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.713 -0.887 -2.243 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.887 0.172 -3.598 1.00 0.00 C ATOM 692 CD1 ILE A 253 5.109 -0.439 -0.930 1.00 0.00 C ATOM 0 H ILE A 253 7.953 0.393 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 253 5.715 -1.497 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 253 5.796 1.031 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.352 -1.889 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.795 -0.956 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.437 0.540 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.678 0.871 -4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.466 -0.803 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.378 -1.146 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.489 0.550 -0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 253 4.024 -0.397 -1.024 1.00 0.00 H new ATOM 704 N GLU A 254 5.017 -0.202 -6.884 1.00 0.00 N ATOM 705 CA GLU A 254 4.560 0.533 -8.057 1.00 0.00 C ATOM 706 C GLU A 254 3.046 0.418 -8.215 1.00 0.00 C ATOM 707 O GLU A 254 2.446 -0.590 -7.839 1.00 0.00 O ATOM 708 CB GLU A 254 5.256 0.012 -9.316 1.00 0.00 C ATOM 709 CG GLU A 254 6.629 0.619 -9.548 1.00 0.00 C ATOM 710 CD GLU A 254 6.585 2.129 -9.673 1.00 0.00 C ATOM 711 OE1 GLU A 254 6.519 2.809 -8.627 1.00 0.00 O ATOM 712 OE2 GLU A 254 6.618 2.632 -10.816 1.00 0.00 O ATOM 0 H GLU A 254 4.832 -1.205 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 254 4.815 1.584 -7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 254 5.354 -1.071 -9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.626 0.219 -10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 254 7.287 0.345 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 254 7.061 0.195 -10.455 1.00 0.00 H new ATOM 719 N LEU A 255 2.435 1.456 -8.773 1.00 0.00 N ATOM 720 CA LEU A 255 0.991 1.474 -8.981 1.00 0.00 C ATOM 721 C LEU A 255 0.653 1.807 -10.431 1.00 0.00 C ATOM 722 O LEU A 255 1.373 2.558 -11.089 1.00 0.00 O ATOM 723 CB LEU A 255 0.333 2.490 -8.046 1.00 0.00 C ATOM 724 CG LEU A 255 -1.023 3.035 -8.494 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.090 1.954 -8.400 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.414 4.246 -7.660 1.00 0.00 C ATOM 0 H LEU A 255 2.917 2.297 -9.090 1.00 0.00 H new ATOM 0 HA LEU A 255 0.605 0.480 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.210 2.026 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 255 1.015 3.330 -7.917 1.00 0.00 H new ATOM 0 HG LEU A 255 -0.941 3.347 -9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -3.049 2.360 -8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -1.816 1.116 -9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.170 1.611 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.382 4.620 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.478 3.960 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.663 5.027 -7.778 1.00 0.00 H new ATOM 738 N ASP A 256 -0.446 1.244 -10.921 1.00 0.00 N ATOM 739 CA ASP A 256 -0.881 1.484 -12.292 1.00 0.00 C ATOM 740 C ASP A 256 -2.187 2.272 -12.317 1.00 0.00 C ATOM 741 O ASP A 256 -3.208 1.815 -11.804 1.00 0.00 O ATOM 742 CB ASP A 256 -1.056 0.158 -13.033 1.00 0.00 C ATOM 743 CG ASP A 256 0.218 -0.295 -13.719 1.00 0.00 C ATOM 744 OD1 ASP A 256 1.279 -0.291 -13.061 1.00 0.00 O ATOM 745 OD2 ASP A 256 0.154 -0.653 -14.913 1.00 0.00 O ATOM 0 H ASP A 256 -1.052 0.619 -10.390 1.00 0.00 H new ATOM 0 HA ASP A 256 -0.113 2.073 -12.794 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -1.378 -0.609 -12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -1.848 0.262 -13.775 1.00 0.00 H new ATOM 750 N GLU A 257 -2.146 3.457 -12.918 1.00 0.00 N ATOM 751 CA GLU A 257 -3.327 4.308 -13.008 1.00 0.00 C ATOM 752 C GLU A 257 -4.185 3.923 -14.209 1.00 0.00 C ATOM 753 O GLU A 257 -5.400 4.120 -14.206 1.00 0.00 O ATOM 754 CB GLU A 257 -2.916 5.779 -13.111 1.00 0.00 C ATOM 755 CG GLU A 257 -2.264 6.319 -11.849 1.00 0.00 C ATOM 756 CD GLU A 257 -1.861 7.775 -11.978 1.00 0.00 C ATOM 757 OE1 GLU A 257 -2.735 8.650 -11.812 1.00 0.00 O ATOM 758 OE2 GLU A 257 -0.670 8.038 -12.245 1.00 0.00 O ATOM 0 H GLU A 257 -1.309 3.849 -13.349 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.916 4.165 -12.102 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -2.225 5.897 -13.946 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.797 6.379 -13.340 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -2.954 6.210 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.383 5.721 -11.615 1.00 0.00 H new ATOM 765 N ASP A 258 -3.544 3.374 -15.235 1.00 0.00 N ATOM 766 CA ASP A 258 -4.247 2.960 -16.443 1.00 0.00 C ATOM 767 C ASP A 258 -5.463 2.105 -16.099 1.00 0.00 C ATOM 768 O ASP A 258 -6.525 2.242 -16.707 1.00 0.00 O ATOM 769 CB ASP A 258 -3.307 2.183 -17.366 1.00 0.00 C ATOM 770 CG ASP A 258 -2.329 3.088 -18.090 1.00 0.00 C ATOM 771 OD1 ASP A 258 -2.785 4.013 -18.794 1.00 0.00 O ATOM 772 OD2 ASP A 258 -1.107 2.871 -17.952 1.00 0.00 O ATOM 0 H ASP A 258 -2.538 3.205 -15.254 1.00 0.00 H new ATOM 0 HA ASP A 258 -4.590 3.857 -16.958 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -2.753 1.448 -16.781 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -3.896 1.630 -18.098 1.00 0.00 H new ATOM 777 N THR A 259 -5.299 1.220 -15.120 1.00 0.00 N ATOM 778 CA THR A 259 -6.382 0.341 -14.696 1.00 0.00 C ATOM 779 C THR A 259 -6.638 0.467 -13.199 1.00 0.00 C ATOM 780 O THR A 259 -7.754 0.246 -12.729 1.00 0.00 O ATOM 781 CB THR A 259 -6.073 -1.131 -15.030 1.00 0.00 C ATOM 782 OG1 THR A 259 -4.835 -1.521 -14.426 1.00 0.00 O ATOM 783 CG2 THR A 259 -5.997 -1.340 -16.535 1.00 0.00 C ATOM 0 H THR A 259 -4.427 1.093 -14.606 1.00 0.00 H new ATOM 0 HA THR A 259 -7.273 0.651 -15.242 1.00 0.00 H new ATOM 0 HB THR A 259 -6.880 -1.747 -14.634 1.00 0.00 H new ATOM 0 HG1 THR A 259 -4.647 -2.458 -14.642 1.00 0.00 H new ATOM 0 HG21 THR A 259 -5.778 -2.387 -16.746 1.00 0.00 H new ATOM 0 HG22 THR A 259 -6.951 -1.070 -16.988 1.00 0.00 H new ATOM 0 HG23 THR A 259 -5.208 -0.713 -16.950 1.00 0.00 H new ATOM 791 N GLY A 260 -5.598 0.826 -12.453 1.00 0.00 N ATOM 792 CA GLY A 260 -5.732 0.977 -11.016 1.00 0.00 C ATOM 793 C GLY A 260 -5.267 -0.251 -10.258 1.00 0.00 C ATOM 794 O GLY A 260 -5.877 -0.645 -9.264 1.00 0.00 O ATOM 0 H GLY A 260 -4.665 1.015 -12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.155 1.842 -10.689 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.775 1.178 -10.771 1.00 0.00 H new ATOM 798 N THR A 261 -4.183 -0.859 -10.729 1.00 0.00 N ATOM 799 CA THR A 261 -3.637 -2.051 -10.091 1.00 0.00 C ATOM 800 C THR A 261 -2.388 -1.719 -9.283 1.00 0.00 C ATOM 801 O THR A 261 -1.472 -1.063 -9.778 1.00 0.00 O ATOM 802 CB THR A 261 -3.290 -3.134 -11.129 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.487 -3.634 -11.735 1.00 0.00 O ATOM 804 CG2 THR A 261 -2.528 -4.280 -10.481 1.00 0.00 C ATOM 0 H THR A 261 -3.666 -0.546 -11.550 1.00 0.00 H new ATOM 0 HA THR A 261 -4.408 -2.433 -9.422 1.00 0.00 H new ATOM 0 HB THR A 261 -2.657 -2.683 -11.893 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.257 -4.321 -12.395 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.294 -5.033 -11.234 1.00 0.00 H new ATOM 0 HG22 THR A 261 -1.603 -3.902 -10.046 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.141 -4.728 -9.698 1.00 0.00 H new ATOM 812 N PHE A 262 -2.358 -2.176 -8.035 1.00 0.00 N ATOM 813 CA PHE A 262 -1.220 -1.927 -7.157 1.00 0.00 C ATOM 814 C PHE A 262 -0.223 -3.080 -7.219 1.00 0.00 C ATOM 815 O PHE A 262 -0.541 -4.210 -6.849 1.00 0.00 O ATOM 816 CB PHE A 262 -1.695 -1.725 -5.717 1.00 0.00 C ATOM 817 CG PHE A 262 -2.002 -0.294 -5.381 1.00 0.00 C ATOM 818 CD1 PHE A 262 -0.979 0.606 -5.126 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.312 0.153 -5.321 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.258 1.923 -4.816 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.597 1.469 -5.012 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.569 2.356 -4.760 1.00 0.00 C ATOM 0 H PHE A 262 -3.108 -2.720 -7.609 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.721 -1.020 -7.498 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.587 -2.328 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -0.928 -2.093 -5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 262 0.048 0.274 -5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.120 -0.536 -5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.452 2.614 -4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.623 1.804 -4.968 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.789 3.386 -4.520 1.00 0.00 H new ATOM 832 N ARG A 263 0.984 -2.785 -7.691 1.00 0.00 N ATOM 833 CA ARG A 263 2.028 -3.796 -7.803 1.00 0.00 C ATOM 834 C ARG A 263 3.065 -3.633 -6.696 1.00 0.00 C ATOM 835 O ARG A 263 3.721 -2.596 -6.594 1.00 0.00 O ATOM 836 CB ARG A 263 2.708 -3.708 -9.171 1.00 0.00 C ATOM 837 CG ARG A 263 1.962 -4.443 -10.271 1.00 0.00 C ATOM 838 CD ARG A 263 2.606 -4.216 -11.630 1.00 0.00 C ATOM 839 NE ARG A 263 1.653 -4.385 -12.723 1.00 0.00 N ATOM 840 CZ ARG A 263 1.358 -5.561 -13.266 1.00 0.00 C ATOM 841 NH1 ARG A 263 1.940 -6.666 -12.820 1.00 0.00 N ATOM 842 NH2 ARG A 263 0.480 -5.634 -14.258 1.00 0.00 N ATOM 0 H ARG A 263 1.263 -1.854 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 263 1.562 -4.776 -7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.809 -2.659 -9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.716 -4.115 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.944 -5.510 -10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.926 -4.106 -10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 263 3.027 -3.211 -11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.434 -4.913 -11.760 1.00 0.00 H new ATOM 0 HE ARG A 263 1.188 -3.555 -13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 263 2.616 -6.614 -12.058 1.00 0.00 H new ATOM 0 HH12 ARG A 263 1.711 -7.568 -13.239 1.00 0.00 H new ATOM 0 HH21 ARG A 263 0.031 -4.787 -14.605 1.00 0.00 H new ATOM 0 HH22 ARG A 263 0.254 -6.538 -14.674 1.00 0.00 H new ATOM 856 N ILE A 264 3.208 -4.663 -5.869 1.00 0.00 N ATOM 857 CA ILE A 264 4.165 -4.634 -4.770 1.00 0.00 C ATOM 858 C ILE A 264 5.256 -5.682 -4.963 1.00 0.00 C ATOM 859 O ILE A 264 4.995 -6.781 -5.454 1.00 0.00 O ATOM 860 CB ILE A 264 3.473 -4.872 -3.415 1.00 0.00 C ATOM 861 CG1 ILE A 264 2.159 -4.092 -3.344 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.396 -4.473 -2.273 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.341 -4.397 -2.109 1.00 0.00 C ATOM 0 H ILE A 264 2.673 -5.529 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 264 4.615 -3.641 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 264 3.247 -5.934 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.378 -3.025 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.564 -4.317 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.894 -4.647 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.307 -5.069 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.649 -3.417 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.424 -3.808 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 264 1.091 -5.458 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.918 -4.145 -1.219 1.00 0.00 H new ATOM 875 N TYR A 265 6.477 -5.335 -4.573 1.00 0.00 N ATOM 876 CA TYR A 265 7.608 -6.246 -4.703 1.00 0.00 C ATOM 877 C TYR A 265 8.272 -6.487 -3.351 1.00 0.00 C ATOM 878 O TYR A 265 8.798 -5.564 -2.731 1.00 0.00 O ATOM 879 CB TYR A 265 8.631 -5.684 -5.692 1.00 0.00 C ATOM 880 CG TYR A 265 8.079 -5.483 -7.085 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.438 -4.301 -7.436 1.00 0.00 C ATOM 882 CD2 TYR A 265 8.196 -6.475 -8.051 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.931 -4.113 -8.707 1.00 0.00 C ATOM 884 CE2 TYR A 265 7.694 -6.295 -9.325 1.00 0.00 C ATOM 885 CZ TYR A 265 7.062 -5.113 -9.648 1.00 0.00 C ATOM 886 OH TYR A 265 6.559 -4.930 -10.916 1.00 0.00 O ATOM 0 H TYR A 265 6.709 -4.430 -4.164 1.00 0.00 H new ATOM 0 HA TYR A 265 7.233 -7.198 -5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 265 9.002 -4.730 -5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.485 -6.360 -5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 265 7.334 -3.516 -6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 265 8.688 -7.403 -7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 265 6.435 -3.188 -8.963 1.00 0.00 H new ATOM 0 HE2 TYR A 265 7.796 -7.076 -10.064 1.00 0.00 H new ATOM 0 HH TYR A 265 6.735 -5.728 -11.456 1.00 0.00 H new ATOM 896 N GLY A 266 8.243 -7.737 -2.899 1.00 0.00 N ATOM 897 CA GLY A 266 8.844 -8.080 -1.624 1.00 0.00 C ATOM 898 C GLY A 266 9.552 -9.420 -1.658 1.00 0.00 C ATOM 899 O GLY A 266 9.179 -10.306 -2.425 1.00 0.00 O ATOM 0 H GLY A 266 7.813 -8.519 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.555 -7.304 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 266 8.071 -8.100 -0.855 1.00 0.00 H new ATOM 903 N GLU A 267 10.578 -9.567 -0.825 1.00 0.00 N ATOM 904 CA GLU A 267 11.341 -10.808 -0.766 1.00 0.00 C ATOM 905 C GLU A 267 10.508 -11.930 -0.155 1.00 0.00 C ATOM 906 O GLU A 267 10.733 -13.108 -0.434 1.00 0.00 O ATOM 907 CB GLU A 267 12.622 -10.607 0.048 1.00 0.00 C ATOM 908 CG GLU A 267 13.770 -10.023 -0.758 1.00 0.00 C ATOM 909 CD GLU A 267 15.116 -10.231 -0.092 1.00 0.00 C ATOM 910 OE1 GLU A 267 15.320 -9.688 1.014 1.00 0.00 O ATOM 911 OE2 GLU A 267 15.964 -10.937 -0.676 1.00 0.00 O ATOM 0 H GLU A 267 10.899 -8.843 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 267 11.607 -11.090 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.408 -9.948 0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 267 12.932 -11.565 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 267 13.784 -10.480 -1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.601 -8.956 -0.903 1.00 0.00 H new ATOM 918 N SER A 268 9.545 -11.556 0.681 1.00 0.00 N ATOM 919 CA SER A 268 8.680 -12.531 1.336 1.00 0.00 C ATOM 920 C SER A 268 7.215 -12.118 1.226 1.00 0.00 C ATOM 921 O SER A 268 6.862 -10.967 1.482 1.00 0.00 O ATOM 922 CB SER A 268 9.069 -12.682 2.808 1.00 0.00 C ATOM 923 OG SER A 268 9.263 -11.417 3.417 1.00 0.00 O ATOM 0 H SER A 268 9.344 -10.585 0.921 1.00 0.00 H new ATOM 0 HA SER A 268 8.809 -13.489 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 268 8.290 -13.229 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 268 9.983 -13.271 2.887 1.00 0.00 H new ATOM 0 HG SER A 268 8.549 -10.806 3.138 1.00 0.00 H new ATOM 929 N ALA A 269 6.367 -13.067 0.844 1.00 0.00 N ATOM 930 CA ALA A 269 4.940 -12.803 0.701 1.00 0.00 C ATOM 931 C ALA A 269 4.396 -12.054 1.913 1.00 0.00 C ATOM 932 O ALA A 269 3.445 -11.281 1.800 1.00 0.00 O ATOM 933 CB ALA A 269 4.181 -14.106 0.500 1.00 0.00 C ATOM 0 H ALA A 269 6.643 -14.025 0.628 1.00 0.00 H new ATOM 0 HA ALA A 269 4.798 -12.172 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.117 -13.895 0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.543 -14.603 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.338 -14.755 1.361 1.00 0.00 H new ATOM 939 N ASP A 270 5.006 -12.288 3.069 1.00 0.00 N ATOM 940 CA ASP A 270 4.583 -11.634 4.303 1.00 0.00 C ATOM 941 C ASP A 270 4.841 -10.132 4.237 1.00 0.00 C ATOM 942 O ASP A 270 4.064 -9.335 4.763 1.00 0.00 O ATOM 943 CB ASP A 270 5.315 -12.238 5.502 1.00 0.00 C ATOM 944 CG ASP A 270 4.720 -13.563 5.936 1.00 0.00 C ATOM 945 OD1 ASP A 270 4.087 -14.233 5.094 1.00 0.00 O ATOM 946 OD2 ASP A 270 4.886 -13.930 7.119 1.00 0.00 O ATOM 0 H ASP A 270 5.795 -12.925 3.178 1.00 0.00 H new ATOM 0 HA ASP A 270 3.512 -11.796 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 270 6.366 -12.380 5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 270 5.280 -11.537 6.336 1.00 0.00 H new ATOM 951 N ALA A 271 5.937 -9.752 3.589 1.00 0.00 N ATOM 952 CA ALA A 271 6.297 -8.346 3.454 1.00 0.00 C ATOM 953 C ALA A 271 5.335 -7.621 2.520 1.00 0.00 C ATOM 954 O ALA A 271 4.753 -6.599 2.883 1.00 0.00 O ATOM 955 CB ALA A 271 7.727 -8.213 2.951 1.00 0.00 C ATOM 0 H ALA A 271 6.592 -10.399 3.149 1.00 0.00 H new ATOM 0 HA ALA A 271 6.226 -7.882 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 271 7.982 -7.158 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.407 -8.688 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 271 7.817 -8.698 1.979 1.00 0.00 H new ATOM 961 N VAL A 272 5.173 -8.155 1.313 1.00 0.00 N ATOM 962 CA VAL A 272 4.281 -7.559 0.326 1.00 0.00 C ATOM 963 C VAL A 272 2.836 -7.573 0.811 1.00 0.00 C ATOM 964 O VAL A 272 2.040 -6.706 0.452 1.00 0.00 O ATOM 965 CB VAL A 272 4.366 -8.295 -1.024 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.504 -7.739 -1.866 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.535 -9.791 -0.805 1.00 0.00 C ATOM 0 H VAL A 272 5.648 -9.000 0.996 1.00 0.00 H new ATOM 0 HA VAL A 272 4.604 -6.527 0.189 1.00 0.00 H new ATOM 0 HB VAL A 272 3.434 -8.133 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.548 -8.272 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.334 -6.679 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.447 -7.868 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.593 -10.296 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.451 -9.975 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.682 -10.175 -0.245 1.00 0.00 H new ATOM 977 N LYS A 273 2.503 -8.565 1.631 1.00 0.00 N ATOM 978 CA LYS A 273 1.154 -8.693 2.168 1.00 0.00 C ATOM 979 C LYS A 273 0.882 -7.620 3.218 1.00 0.00 C ATOM 980 O LYS A 273 -0.122 -6.910 3.150 1.00 0.00 O ATOM 981 CB LYS A 273 0.956 -10.082 2.780 1.00 0.00 C ATOM 982 CG LYS A 273 0.471 -11.121 1.785 1.00 0.00 C ATOM 983 CD LYS A 273 0.043 -12.402 2.480 1.00 0.00 C ATOM 984 CE LYS A 273 1.243 -13.249 2.877 1.00 0.00 C ATOM 985 NZ LYS A 273 0.893 -14.693 2.981 1.00 0.00 N ATOM 0 H LYS A 273 3.150 -9.292 1.938 1.00 0.00 H new ATOM 0 HA LYS A 273 0.449 -8.560 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 273 1.899 -10.417 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.238 -10.011 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -0.366 -10.718 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.265 -11.341 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 273 -0.541 -12.158 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -0.606 -12.976 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 273 2.038 -13.120 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 273 1.633 -12.900 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 1.737 -15.236 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 0.153 -14.820 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 0.544 -15.033 2.062 1.00 0.00 H new ATOM 999 N LYS A 274 1.783 -7.506 4.188 1.00 0.00 N ATOM 1000 CA LYS A 274 1.643 -6.518 5.251 1.00 0.00 C ATOM 1001 C LYS A 274 1.497 -5.114 4.673 1.00 0.00 C ATOM 1002 O LYS A 274 0.598 -4.366 5.056 1.00 0.00 O ATOM 1003 CB LYS A 274 2.851 -6.572 6.188 1.00 0.00 C ATOM 1004 CG LYS A 274 2.612 -5.899 7.529 1.00 0.00 C ATOM 1005 CD LYS A 274 3.911 -5.700 8.292 1.00 0.00 C ATOM 1006 CE LYS A 274 3.773 -4.618 9.353 1.00 0.00 C ATOM 1007 NZ LYS A 274 3.966 -3.256 8.784 1.00 0.00 N ATOM 0 H LYS A 274 2.619 -8.086 4.260 1.00 0.00 H new ATOM 0 HA LYS A 274 0.742 -6.755 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.123 -7.614 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 274 3.701 -6.097 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.130 -4.934 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 274 1.928 -6.504 8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.205 -6.638 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.705 -5.430 7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 274 2.787 -4.683 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 274 4.504 -4.789 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 3.864 -2.547 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 4.917 -3.185 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 3.252 -3.083 8.048 1.00 0.00 H new ATOM 1021 N ALA A 275 2.385 -4.764 3.749 1.00 0.00 N ATOM 1022 CA ALA A 275 2.352 -3.452 3.116 1.00 0.00 C ATOM 1023 C ALA A 275 1.121 -3.300 2.229 1.00 0.00 C ATOM 1024 O ALA A 275 0.557 -2.213 2.115 1.00 0.00 O ATOM 1025 CB ALA A 275 3.620 -3.224 2.306 1.00 0.00 C ATOM 0 H ALA A 275 3.137 -5.371 3.422 1.00 0.00 H new ATOM 0 HA ALA A 275 2.296 -2.699 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.581 -2.240 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.487 -3.279 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.701 -3.989 1.534 1.00 0.00 H new ATOM 1031 N ARG A 276 0.711 -4.398 1.602 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.452 -4.387 0.723 1.00 0.00 C ATOM 1033 C ARG A 276 -1.672 -3.821 1.444 1.00 0.00 C ATOM 1034 O ARG A 276 -2.385 -2.974 0.908 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.752 -5.800 0.221 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.119 -5.938 -0.429 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.304 -7.313 -1.052 1.00 0.00 C ATOM 1038 NE ARG A 276 -3.714 -7.642 -1.243 1.00 0.00 N ATOM 1039 CZ ARG A 276 -4.136 -8.688 -1.945 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -3.261 -9.501 -2.519 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -5.436 -8.922 -2.073 1.00 0.00 N ATOM 0 H ARG A 276 1.167 -5.306 1.687 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.226 -3.747 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 276 0.014 -6.091 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.685 -6.496 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -2.896 -5.768 0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.238 -5.171 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -1.790 -7.348 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -1.839 -8.065 -0.415 1.00 0.00 H new ATOM 0 HE ARG A 276 -4.413 -7.036 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -2.261 -9.324 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -3.587 -10.303 -3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -6.112 -8.298 -1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -5.759 -9.725 -2.612 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.907 -4.298 2.663 1.00 0.00 N ATOM 1056 CA GLY A 277 -3.041 -3.829 3.437 1.00 0.00 C ATOM 1057 C GLY A 277 -3.169 -2.319 3.422 1.00 0.00 C ATOM 1058 O GLY A 277 -4.263 -1.779 3.591 1.00 0.00 O ATOM 0 H GLY A 277 -1.332 -5.001 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.955 -4.272 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.941 -4.172 4.467 1.00 0.00 H new ATOM 1062 N PHE A 278 -2.049 -1.634 3.221 1.00 0.00 N ATOM 1063 CA PHE A 278 -2.039 -0.176 3.188 1.00 0.00 C ATOM 1064 C PHE A 278 -2.521 0.341 1.835 1.00 0.00 C ATOM 1065 O PHE A 278 -3.160 1.390 1.750 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.633 0.353 3.476 1.00 0.00 C ATOM 1067 CG PHE A 278 -0.194 0.143 4.897 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -1.002 0.537 5.952 1.00 0.00 C ATOM 1069 CD2 PHE A 278 1.027 -0.449 5.178 1.00 0.00 C ATOM 1070 CE1 PHE A 278 -0.599 0.345 7.260 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.435 -0.644 6.485 1.00 0.00 C ATOM 1072 CZ PHE A 278 0.620 -0.247 7.527 1.00 0.00 C ATOM 0 H PHE A 278 -1.136 -2.065 3.078 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.720 0.184 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 278 0.075 -0.138 2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.600 1.418 3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.957 0.999 5.750 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.668 -0.762 4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -1.237 0.658 8.073 1.00 0.00 H new ATOM 0 HE2 PHE A 278 2.389 -1.106 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 278 0.935 -0.399 8.549 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.210 -0.404 0.779 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.610 -0.023 -0.571 1.00 0.00 C ATOM 1084 C LEU A 279 -4.023 -0.509 -0.878 1.00 0.00 C ATOM 1085 O LEU A 279 -4.662 -0.035 -1.816 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.628 -0.593 -1.595 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.214 -0.012 -1.565 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.679 -0.727 -2.567 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.246 1.483 -1.848 1.00 0.00 C ATOM 0 H LEU A 279 -1.682 -1.275 0.832 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.599 1.065 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.560 -1.670 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.042 -0.437 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 279 0.200 -0.164 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.681 -0.300 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.728 -1.787 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 279 0.269 -0.607 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.769 1.880 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.680 1.658 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -0.850 1.984 -1.092 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.504 -1.457 -0.079 1.00 0.00 N ATOM 1102 CA GLU A 280 -5.841 -2.007 -0.266 1.00 0.00 C ATOM 1103 C GLU A 280 -6.904 -0.928 -0.077 1.00 0.00 C ATOM 1104 O GLU A 280 -6.784 -0.068 0.797 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.086 -3.156 0.714 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.215 -4.373 0.454 1.00 0.00 C ATOM 1107 CD GLU A 280 -5.863 -5.664 0.914 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -6.801 -6.132 0.234 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -5.435 -6.207 1.954 1.00 0.00 O ATOM 0 H GLU A 280 -3.988 -1.859 0.703 1.00 0.00 H new ATOM 0 HA GLU A 280 -5.910 -2.387 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -5.907 -2.801 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.134 -3.451 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -4.999 -4.439 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -4.261 -4.248 0.965 1.00 0.00 H new