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 109:sc= 0 USER MOD Set 1.2: A 261 THR OG1 : rot 180:sc= -2.4! USER MOD Single : A 220 HIS : no HD1:sc= -0.818 K(o=-0.82,f=-0.07) USER MOD Single : A 230 MET CE :methyl -147:sc= -4.73! (180deg=-8.29!) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.049) USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 240 ASN : amide:sc= -4.03! C(o=-4!,f=-8!) USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 243 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.4!) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 THR OG1 : rot 140:sc= -1.55 USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot 180:sc= 0 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 12.273 -9.548 -6.545 1.00 0.00 N ATOM 149 CA ALA A 217 11.524 -10.004 -5.381 1.00 0.00 C ATOM 150 C ALA A 217 10.920 -11.383 -5.622 1.00 0.00 C ATOM 151 O ALA A 217 10.307 -11.630 -6.661 1.00 0.00 O ATOM 152 CB ALA A 217 10.434 -9.002 -5.029 1.00 0.00 C ATOM 0 HA ALA A 217 12.216 -10.081 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.882 -9.355 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.886 -8.036 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.751 -8.896 -5.872 1.00 0.00 H new ATOM 158 N ALA A 218 11.097 -12.279 -4.657 1.00 0.00 N ATOM 159 CA ALA A 218 10.568 -13.633 -4.764 1.00 0.00 C ATOM 160 C ALA A 218 9.044 -13.624 -4.823 1.00 0.00 C ATOM 161 O ALA A 218 8.438 -14.352 -5.609 1.00 0.00 O ATOM 162 CB ALA A 218 11.048 -14.482 -3.597 1.00 0.00 C ATOM 0 H ALA A 218 11.603 -12.091 -3.792 1.00 0.00 H new ATOM 0 HA ALA A 218 10.939 -14.069 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.645 -15.490 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.137 -14.525 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.706 -14.040 -2.661 1.00 0.00 H new ATOM 168 N PHE A 219 8.429 -12.796 -3.985 1.00 0.00 N ATOM 169 CA PHE A 219 6.975 -12.693 -3.940 1.00 0.00 C ATOM 170 C PHE A 219 6.506 -11.359 -4.513 1.00 0.00 C ATOM 171 O PHE A 219 7.154 -10.329 -4.327 1.00 0.00 O ATOM 172 CB PHE A 219 6.476 -12.848 -2.502 1.00 0.00 C ATOM 173 CG PHE A 219 6.491 -14.267 -2.011 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.665 -14.843 -1.553 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.332 -15.025 -2.008 1.00 0.00 C ATOM 176 CE1 PHE A 219 7.682 -16.149 -1.101 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.342 -16.332 -1.557 1.00 0.00 C ATOM 178 CZ PHE A 219 6.519 -16.894 -1.102 1.00 0.00 C ATOM 0 H PHE A 219 8.915 -12.186 -3.328 1.00 0.00 H new ATOM 0 HA PHE A 219 6.560 -13.496 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 219 7.094 -12.238 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.460 -12.460 -2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.577 -14.265 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.409 -14.590 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 219 8.604 -16.587 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 219 4.431 -16.912 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 219 6.530 -17.914 -0.748 1.00 0.00 H new ATOM 188 N HIS A 220 5.375 -11.386 -5.210 1.00 0.00 N ATOM 189 CA HIS A 220 4.818 -10.180 -5.811 1.00 0.00 C ATOM 190 C HIS A 220 3.298 -10.157 -5.675 1.00 0.00 C ATOM 191 O HIS A 220 2.633 -11.171 -5.881 1.00 0.00 O ATOM 192 CB HIS A 220 5.211 -10.090 -7.286 1.00 0.00 C ATOM 193 CG HIS A 220 4.942 -11.347 -8.055 1.00 0.00 C ATOM 194 ND1 HIS A 220 5.942 -12.130 -8.592 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.776 -11.957 -8.374 1.00 0.00 C ATOM 196 CE1 HIS A 220 5.403 -13.165 -9.210 1.00 0.00 C ATOM 197 NE2 HIS A 220 4.090 -13.084 -9.092 1.00 0.00 N ATOM 0 H HIS A 220 4.826 -12.230 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 220 5.226 -9.319 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.667 -9.267 -7.749 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.272 -9.850 -7.357 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.784 -11.620 -8.112 1.00 0.00 H new ATOM 0 HE1 HIS A 220 5.944 -13.945 -9.725 1.00 0.00 H new ATOM 0 HE2 HIS A 220 3.418 -13.751 -9.473 1.00 0.00 H new ATOM 205 N GLU A 221 2.757 -8.994 -5.327 1.00 0.00 N ATOM 206 CA GLU A 221 1.316 -8.841 -5.163 1.00 0.00 C ATOM 207 C GLU A 221 0.736 -7.948 -6.255 1.00 0.00 C ATOM 208 O GLU A 221 1.364 -6.977 -6.676 1.00 0.00 O ATOM 209 CB GLU A 221 0.997 -8.254 -3.786 1.00 0.00 C ATOM 210 CG GLU A 221 1.032 -9.278 -2.665 1.00 0.00 C ATOM 211 CD GLU A 221 -0.206 -10.154 -2.636 1.00 0.00 C ATOM 212 OE1 GLU A 221 -1.315 -9.622 -2.851 1.00 0.00 O ATOM 213 OE2 GLU A 221 -0.065 -11.372 -2.398 1.00 0.00 O ATOM 0 H GLU A 221 3.294 -8.144 -5.153 1.00 0.00 H new ATOM 0 HA GLU A 221 0.860 -9.828 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.711 -7.461 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 221 0.009 -7.795 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 221 1.915 -9.907 -2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 221 1.130 -8.762 -1.710 1.00 0.00 H new ATOM 220 N GLU A 222 -0.467 -8.286 -6.710 1.00 0.00 N ATOM 221 CA GLU A 222 -1.132 -7.516 -7.755 1.00 0.00 C ATOM 222 C GLU A 222 -2.647 -7.554 -7.579 1.00 0.00 C ATOM 223 O GLU A 222 -3.275 -8.600 -7.737 1.00 0.00 O ATOM 224 CB GLU A 222 -0.754 -8.056 -9.136 1.00 0.00 C ATOM 225 CG GLU A 222 -1.273 -7.206 -10.284 1.00 0.00 C ATOM 226 CD GLU A 222 -1.476 -8.007 -11.556 1.00 0.00 C ATOM 227 OE1 GLU A 222 -1.916 -9.172 -11.460 1.00 0.00 O ATOM 228 OE2 GLU A 222 -1.195 -7.469 -12.648 1.00 0.00 O ATOM 0 H GLU A 222 -1.000 -9.087 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.800 -6.481 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 222 0.332 -8.123 -9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -1.143 -9.069 -9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -2.218 -6.747 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -0.571 -6.395 -10.478 1.00 0.00 H new ATOM 235 N PHE A 223 -3.227 -6.405 -7.249 1.00 0.00 N ATOM 236 CA PHE A 223 -4.668 -6.306 -7.049 1.00 0.00 C ATOM 237 C PHE A 223 -5.219 -5.032 -7.684 1.00 0.00 C ATOM 238 O PHE A 223 -4.528 -4.017 -7.767 1.00 0.00 O ATOM 239 CB PHE A 223 -5.000 -6.329 -5.555 1.00 0.00 C ATOM 240 CG PHE A 223 -4.137 -5.413 -4.735 1.00 0.00 C ATOM 241 CD1 PHE A 223 -2.879 -5.815 -4.317 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.584 -4.150 -4.382 1.00 0.00 C ATOM 243 CE1 PHE A 223 -2.082 -4.974 -3.562 1.00 0.00 C ATOM 244 CE2 PHE A 223 -3.792 -3.305 -3.628 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.540 -3.718 -3.217 1.00 0.00 C ATOM 0 H PHE A 223 -2.721 -5.529 -7.114 1.00 0.00 H new ATOM 0 HA PHE A 223 -5.136 -7.164 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -6.045 -6.049 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.891 -7.348 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.516 -6.797 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.563 -3.822 -4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -1.103 -5.299 -3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -4.152 -2.323 -3.360 1.00 0.00 H new ATOM 0 HZ PHE A 223 -1.920 -3.060 -2.627 1.00 0.00 H new ATOM 255 N VAL A 224 -6.469 -5.095 -8.132 1.00 0.00 N ATOM 256 CA VAL A 224 -7.115 -3.948 -8.759 1.00 0.00 C ATOM 257 C VAL A 224 -7.944 -3.163 -7.749 1.00 0.00 C ATOM 258 O VAL A 224 -8.865 -3.701 -7.134 1.00 0.00 O ATOM 259 CB VAL A 224 -8.023 -4.383 -9.925 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.514 -3.170 -10.700 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.287 -5.350 -10.840 1.00 0.00 C ATOM 0 H VAL A 224 -7.054 -5.928 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.320 -3.310 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.892 -4.897 -9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.154 -3.497 -11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.081 -2.518 -10.035 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.660 -2.625 -11.102 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.943 -5.647 -11.658 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.399 -4.864 -11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.991 -6.233 -10.274 1.00 0.00 H new ATOM 271 N VAL A 225 -7.611 -1.887 -7.582 1.00 0.00 N ATOM 272 CA VAL A 225 -8.326 -1.026 -6.647 1.00 0.00 C ATOM 273 C VAL A 225 -9.277 -0.088 -7.381 1.00 0.00 C ATOM 274 O VAL A 225 -8.927 0.485 -8.413 1.00 0.00 O ATOM 275 CB VAL A 225 -7.351 -0.190 -5.797 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.076 0.980 -5.150 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.681 -1.060 -4.745 1.00 0.00 C ATOM 0 H VAL A 225 -6.851 -1.427 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 225 -8.901 -1.679 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.576 0.210 -6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.372 1.560 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -8.504 1.616 -5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -8.872 0.604 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -5.995 -0.453 -4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.440 -1.491 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.127 -1.861 -5.234 1.00 0.00 H new ATOM 287 N ARG A 226 -10.482 0.065 -6.842 1.00 0.00 N ATOM 288 CA ARG A 226 -11.485 0.934 -7.446 1.00 0.00 C ATOM 289 C ARG A 226 -10.937 2.345 -7.638 1.00 0.00 C ATOM 290 O ARG A 226 -10.433 2.958 -6.698 1.00 0.00 O ATOM 291 CB ARG A 226 -12.743 0.977 -6.577 1.00 0.00 C ATOM 292 CG ARG A 226 -13.752 -0.110 -6.910 1.00 0.00 C ATOM 293 CD ARG A 226 -14.992 -0.006 -6.036 1.00 0.00 C ATOM 294 NE ARG A 226 -16.000 0.876 -6.618 1.00 0.00 N ATOM 295 CZ ARG A 226 -17.244 0.971 -6.163 1.00 0.00 C ATOM 296 NH1 ARG A 226 -17.631 0.244 -5.125 1.00 0.00 N ATOM 297 NH2 ARG A 226 -18.104 1.796 -6.747 1.00 0.00 N ATOM 0 H ARG A 226 -10.788 -0.402 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.741 0.527 -8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.454 0.884 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.220 1.951 -6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -14.038 -0.034 -7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -13.292 -1.089 -6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -15.419 -0.999 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -14.711 0.366 -5.051 1.00 0.00 H new ATOM 0 HE ARG A 226 -15.734 1.451 -7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -16.973 -0.391 -4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -18.587 0.319 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -17.810 2.358 -7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -19.059 1.868 -6.397 1.00 0.00 H new ATOM 311 N GLU A 227 -11.039 2.852 -8.863 1.00 0.00 N ATOM 312 CA GLU A 227 -10.552 4.190 -9.178 1.00 0.00 C ATOM 313 C GLU A 227 -11.155 5.225 -8.232 1.00 0.00 C ATOM 314 O GLU A 227 -10.603 6.310 -8.049 1.00 0.00 O ATOM 315 CB GLU A 227 -10.887 4.551 -10.627 1.00 0.00 C ATOM 316 CG GLU A 227 -10.241 5.843 -11.097 1.00 0.00 C ATOM 317 CD GLU A 227 -10.417 6.075 -12.585 1.00 0.00 C ATOM 318 OE1 GLU A 227 -9.713 5.415 -13.377 1.00 0.00 O ATOM 319 OE2 GLU A 227 -11.261 6.918 -12.958 1.00 0.00 O ATOM 0 H GLU A 227 -11.454 2.357 -9.652 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.469 4.194 -9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -10.568 3.737 -11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -11.969 4.637 -10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -10.672 6.681 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -9.177 5.820 -10.860 1.00 0.00 H new ATOM 326 N ASP A 228 -12.290 4.880 -7.634 1.00 0.00 N ATOM 327 CA ASP A 228 -12.968 5.778 -6.706 1.00 0.00 C ATOM 328 C ASP A 228 -12.422 5.613 -5.292 1.00 0.00 C ATOM 329 O ASP A 228 -12.519 6.522 -4.467 1.00 0.00 O ATOM 330 CB ASP A 228 -14.475 5.515 -6.718 1.00 0.00 C ATOM 331 CG ASP A 228 -15.257 6.597 -5.999 1.00 0.00 C ATOM 332 OD1 ASP A 228 -14.758 7.739 -5.922 1.00 0.00 O ATOM 333 OD2 ASP A 228 -16.369 6.301 -5.514 1.00 0.00 O ATOM 0 H ASP A 228 -12.760 3.986 -7.775 1.00 0.00 H new ATOM 0 HA ASP A 228 -12.783 6.802 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -14.821 5.445 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -14.677 4.552 -6.249 1.00 0.00 H new ATOM 338 N LEU A 229 -11.847 4.447 -5.018 1.00 0.00 N ATOM 339 CA LEU A 229 -11.286 4.161 -3.703 1.00 0.00 C ATOM 340 C LEU A 229 -9.789 4.452 -3.675 1.00 0.00 C ATOM 341 O LEU A 229 -9.176 4.502 -2.608 1.00 0.00 O ATOM 342 CB LEU A 229 -11.539 2.700 -3.324 1.00 0.00 C ATOM 343 CG LEU A 229 -12.969 2.353 -2.908 1.00 0.00 C ATOM 344 CD1 LEU A 229 -13.073 0.883 -2.532 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.416 3.235 -1.750 1.00 0.00 C ATOM 0 H LEU A 229 -11.757 3.684 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 229 -11.778 4.809 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -11.266 2.073 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -10.870 2.437 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.629 2.538 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -14.098 0.654 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -12.795 0.268 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.402 0.672 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.436 2.975 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.753 3.082 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.380 4.281 -2.054 1.00 0.00 H new ATOM 357 N MET A 230 -9.207 4.647 -4.853 1.00 0.00 N ATOM 358 CA MET A 230 -7.782 4.938 -4.963 1.00 0.00 C ATOM 359 C MET A 230 -7.370 6.020 -3.970 1.00 0.00 C ATOM 360 O MET A 230 -6.528 5.792 -3.102 1.00 0.00 O ATOM 361 CB MET A 230 -7.438 5.379 -6.387 1.00 0.00 C ATOM 362 CG MET A 230 -7.339 4.226 -7.373 1.00 0.00 C ATOM 363 SD MET A 230 -6.124 2.990 -6.875 1.00 0.00 S ATOM 364 CE MET A 230 -5.038 2.990 -8.299 1.00 0.00 C ATOM 0 H MET A 230 -9.700 4.609 -5.745 1.00 0.00 H new ATOM 0 HA MET A 230 -7.232 4.027 -4.730 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.197 6.080 -6.735 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.490 5.917 -6.373 1.00 0.00 H new ATOM 0 HG2 MET A 230 -8.315 3.751 -7.471 1.00 0.00 H new ATOM 0 HG3 MET A 230 -7.074 4.615 -8.356 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.637 1.988 -8.451 1.00 0.00 H new ATOM 0 HE2 MET A 230 -5.598 3.295 -9.183 1.00 0.00 H new ATOM 0 HE3 MET A 230 -4.217 3.687 -8.131 1.00 0.00 H new ATOM 374 N GLY A 231 -7.969 7.200 -4.104 1.00 0.00 N ATOM 375 CA GLY A 231 -7.651 8.299 -3.211 1.00 0.00 C ATOM 376 C GLY A 231 -7.653 7.882 -1.754 1.00 0.00 C ATOM 377 O GLY A 231 -6.698 8.147 -1.023 1.00 0.00 O ATOM 0 H GLY A 231 -8.668 7.414 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -6.671 8.701 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -8.373 9.102 -3.357 1.00 0.00 H new ATOM 381 N LEU A 232 -8.729 7.229 -1.329 1.00 0.00 N ATOM 382 CA LEU A 232 -8.853 6.776 0.052 1.00 0.00 C ATOM 383 C LEU A 232 -7.695 5.857 0.430 1.00 0.00 C ATOM 384 O LEU A 232 -6.979 6.111 1.397 1.00 0.00 O ATOM 385 CB LEU A 232 -10.183 6.048 0.253 1.00 0.00 C ATOM 386 CG LEU A 232 -11.424 6.936 0.358 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.688 6.090 0.332 1.00 0.00 C ATOM 388 CD2 LEU A 232 -11.371 7.780 1.623 1.00 0.00 C ATOM 0 H LEU A 232 -9.528 7.001 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.824 7.652 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.325 5.356 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -10.112 5.448 1.160 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.442 7.607 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.561 6.738 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.732 5.530 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.678 5.395 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -12.262 8.405 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -11.329 7.127 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.484 8.413 1.601 1.00 0.00 H new ATOM 400 N ALA A 233 -7.518 4.790 -0.342 1.00 0.00 N ATOM 401 CA ALA A 233 -6.445 3.836 -0.091 1.00 0.00 C ATOM 402 C ALA A 233 -5.097 4.541 0.016 1.00 0.00 C ATOM 403 O ALA A 233 -4.363 4.352 0.987 1.00 0.00 O ATOM 404 CB ALA A 233 -6.407 2.784 -1.190 1.00 0.00 C ATOM 0 H ALA A 233 -8.104 4.565 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.645 3.344 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.601 2.078 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.358 2.251 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.235 3.268 -2.151 1.00 0.00 H new ATOM 410 N ILE A 234 -4.778 5.352 -0.987 1.00 0.00 N ATOM 411 CA ILE A 234 -3.518 6.085 -1.004 1.00 0.00 C ATOM 412 C ILE A 234 -3.415 7.029 0.189 1.00 0.00 C ATOM 413 O ILE A 234 -2.319 7.391 0.615 1.00 0.00 O ATOM 414 CB ILE A 234 -3.357 6.897 -2.302 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.335 5.964 -3.515 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.088 7.735 -2.249 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.210 6.690 -4.835 1.00 0.00 C ATOM 0 H ILE A 234 -5.374 5.518 -1.798 1.00 0.00 H new ATOM 0 HA ILE A 234 -2.721 5.344 -0.947 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.210 7.569 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.502 5.268 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.248 5.369 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -1.988 8.303 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -2.141 8.422 -1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.224 7.081 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.201 5.965 -5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -4.056 7.366 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.283 7.263 -4.849 1.00 0.00 H new ATOM 429 N GLY A 235 -4.566 7.423 0.726 1.00 0.00 N ATOM 430 CA GLY A 235 -4.583 8.320 1.867 1.00 0.00 C ATOM 431 C GLY A 235 -4.412 9.772 1.465 1.00 0.00 C ATOM 432 O GLY A 235 -4.732 10.155 0.339 1.00 0.00 O ATOM 0 H GLY A 235 -5.486 7.137 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.525 8.203 2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -3.787 8.041 2.557 1.00 0.00 H new ATOM 436 N THR A 236 -3.908 10.584 2.389 1.00 0.00 N ATOM 437 CA THR A 236 -3.698 12.002 2.126 1.00 0.00 C ATOM 438 C THR A 236 -2.282 12.265 1.626 1.00 0.00 C ATOM 439 O THR A 236 -1.317 11.697 2.137 1.00 0.00 O ATOM 440 CB THR A 236 -3.950 12.850 3.387 1.00 0.00 C ATOM 441 OG1 THR A 236 -5.219 12.512 3.959 1.00 0.00 O ATOM 442 CG2 THR A 236 -3.917 14.335 3.057 1.00 0.00 C ATOM 0 H THR A 236 -3.638 10.284 3.326 1.00 0.00 H new ATOM 0 HA THR A 236 -4.412 12.289 1.354 1.00 0.00 H new ATOM 0 HB THR A 236 -3.159 12.636 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 236 -5.371 13.054 4.761 1.00 0.00 H new ATOM 0 HG21 THR A 236 -4.098 14.913 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 236 -2.940 14.595 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 236 -4.689 14.562 2.322 1.00 0.00 H new ATOM 450 N HIS A 237 -2.165 13.131 0.624 1.00 0.00 N ATOM 451 CA HIS A 237 -0.865 13.470 0.055 1.00 0.00 C ATOM 452 C HIS A 237 0.045 12.246 0.012 1.00 0.00 C ATOM 453 O HIS A 237 1.161 12.272 0.530 1.00 0.00 O ATOM 454 CB HIS A 237 -0.204 14.583 0.868 1.00 0.00 C ATOM 455 CG HIS A 237 -0.596 15.960 0.428 1.00 0.00 C ATOM 456 ND1 HIS A 237 -0.668 17.034 1.290 1.00 0.00 N ATOM 457 CD2 HIS A 237 -0.938 16.436 -0.793 1.00 0.00 C ATOM 458 CE1 HIS A 237 -1.038 18.110 0.619 1.00 0.00 C ATOM 459 NE2 HIS A 237 -1.208 17.774 -0.647 1.00 0.00 N ATOM 0 H HIS A 237 -2.954 13.610 0.190 1.00 0.00 H new ATOM 0 HA HIS A 237 -1.022 13.820 -0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 237 -0.465 14.458 1.919 1.00 0.00 H new ATOM 0 HB3 HIS A 237 0.879 14.481 0.794 1.00 0.00 H new ATOM 0 HD2 HIS A 237 -0.989 15.869 -1.711 1.00 0.00 H new ATOM 0 HE1 HIS A 237 -1.178 19.097 1.035 1.00 0.00 H new ATOM 0 HE2 HIS A 237 -1.494 18.406 -1.395 1.00 0.00 H new ATOM 467 N GLY A 238 -0.440 11.175 -0.609 1.00 0.00 N ATOM 468 CA GLY A 238 0.343 9.957 -0.707 1.00 0.00 C ATOM 469 C GLY A 238 0.888 9.509 0.634 1.00 0.00 C ATOM 470 O GLY A 238 2.098 9.349 0.798 1.00 0.00 O ATOM 0 H GLY A 238 -1.361 11.129 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.275 9.164 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.171 10.116 -1.398 1.00 0.00 H new ATOM 474 N SER A 239 -0.005 9.307 1.597 1.00 0.00 N ATOM 475 CA SER A 239 0.394 8.880 2.933 1.00 0.00 C ATOM 476 C SER A 239 0.541 7.363 2.997 1.00 0.00 C ATOM 477 O SER A 239 1.620 6.844 3.282 1.00 0.00 O ATOM 478 CB SER A 239 -0.630 9.349 3.969 1.00 0.00 C ATOM 479 OG SER A 239 -0.203 9.040 5.284 1.00 0.00 O ATOM 0 H SER A 239 -1.010 9.432 1.477 1.00 0.00 H new ATOM 0 HA SER A 239 1.360 9.331 3.158 1.00 0.00 H new ATOM 0 HB2 SER A 239 -0.780 10.425 3.875 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.592 8.875 3.775 1.00 0.00 H new ATOM 0 HG SER A 239 -0.874 9.351 5.927 1.00 0.00 H new ATOM 485 N ASN A 240 -0.553 6.657 2.730 1.00 0.00 N ATOM 486 CA ASN A 240 -0.548 5.199 2.758 1.00 0.00 C ATOM 487 C ASN A 240 0.621 4.644 1.950 1.00 0.00 C ATOM 488 O ASN A 240 1.503 3.978 2.493 1.00 0.00 O ATOM 489 CB ASN A 240 -1.867 4.653 2.208 1.00 0.00 C ATOM 490 CG ASN A 240 -3.041 4.951 3.120 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.293 6.105 3.468 1.00 0.00 O ATOM 492 ND2 ASN A 240 -3.766 3.910 3.511 1.00 0.00 N ATOM 0 H ASN A 240 -1.454 7.071 2.492 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.435 4.881 3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -2.055 5.086 1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -1.782 3.575 2.070 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -4.569 4.049 4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.520 2.971 3.198 1.00 0.00 H new ATOM 499 N ILE A 241 0.622 4.923 0.651 1.00 0.00 N ATOM 500 CA ILE A 241 1.683 4.454 -0.230 1.00 0.00 C ATOM 501 C ILE A 241 3.044 4.544 0.451 1.00 0.00 C ATOM 502 O ILE A 241 3.835 3.602 0.406 1.00 0.00 O ATOM 503 CB ILE A 241 1.723 5.260 -1.542 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.552 4.866 -2.445 1.00 0.00 C ATOM 505 CG2 ILE A 241 3.048 5.041 -2.258 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.480 5.667 -3.726 1.00 0.00 C ATOM 0 H ILE A 241 -0.101 5.472 0.186 1.00 0.00 H new ATOM 0 HA ILE A 241 1.464 3.411 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 241 1.632 6.320 -1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.635 3.808 -2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.380 4.993 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 241 3.061 5.617 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.867 5.367 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 241 3.167 3.982 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.374 5.334 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.366 6.725 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.396 5.521 -4.299 1.00 0.00 H new ATOM 518 N GLN A 242 3.309 5.684 1.082 1.00 0.00 N ATOM 519 CA GLN A 242 4.575 5.896 1.774 1.00 0.00 C ATOM 520 C GLN A 242 4.782 4.849 2.863 1.00 0.00 C ATOM 521 O GLN A 242 5.816 4.183 2.907 1.00 0.00 O ATOM 522 CB GLN A 242 4.617 7.299 2.384 1.00 0.00 C ATOM 523 CG GLN A 242 5.180 8.353 1.444 1.00 0.00 C ATOM 524 CD GLN A 242 6.688 8.471 1.534 1.00 0.00 C ATOM 525 OE1 GLN A 242 7.239 8.745 2.601 1.00 0.00 O ATOM 526 NE2 GLN A 242 7.367 8.262 0.412 1.00 0.00 N ATOM 0 H GLN A 242 2.665 6.474 1.128 1.00 0.00 H new ATOM 0 HA GLN A 242 5.380 5.799 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.608 7.588 2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 242 5.220 7.274 3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 242 4.899 8.108 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.730 9.318 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 242 6.871 8.037 -0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 242 8.385 8.326 0.412 1.00 0.00 H new ATOM 535 N GLN A 243 3.793 4.711 3.741 1.00 0.00 N ATOM 536 CA GLN A 243 3.869 3.745 4.830 1.00 0.00 C ATOM 537 C GLN A 243 4.152 2.344 4.298 1.00 0.00 C ATOM 538 O GLN A 243 4.966 1.610 4.857 1.00 0.00 O ATOM 539 CB GLN A 243 2.566 3.745 5.632 1.00 0.00 C ATOM 540 CG GLN A 243 2.424 4.939 6.562 1.00 0.00 C ATOM 541 CD GLN A 243 3.344 4.855 7.764 1.00 0.00 C ATOM 542 OE1 GLN A 243 4.491 4.421 7.653 1.00 0.00 O ATOM 543 NE2 GLN A 243 2.845 5.272 8.922 1.00 0.00 N ATOM 0 H GLN A 243 2.931 5.256 3.719 1.00 0.00 H new ATOM 0 HA GLN A 243 4.690 4.038 5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 243 1.724 3.731 4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.511 2.829 6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.638 5.853 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 243 1.391 5.008 6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.889 5.624 8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 243 3.418 5.240 9.765 1.00 0.00 H new ATOM 552 N ALA A 244 3.475 1.981 3.214 1.00 0.00 N ATOM 553 CA ALA A 244 3.655 0.669 2.605 1.00 0.00 C ATOM 554 C ALA A 244 5.092 0.475 2.134 1.00 0.00 C ATOM 555 O ALA A 244 5.694 -0.574 2.363 1.00 0.00 O ATOM 556 CB ALA A 244 2.688 0.489 1.444 1.00 0.00 C ATOM 0 H ALA A 244 2.797 2.577 2.739 1.00 0.00 H new ATOM 0 HA ALA A 244 3.443 -0.087 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 244 2.833 -0.495 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.664 0.575 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 244 2.873 1.258 0.694 1.00 0.00 H new ATOM 562 N ARG A 245 5.637 1.492 1.474 1.00 0.00 N ATOM 563 CA ARG A 245 7.003 1.432 0.969 1.00 0.00 C ATOM 564 C ARG A 245 8.007 1.418 2.118 1.00 0.00 C ATOM 565 O ARG A 245 9.175 1.074 1.933 1.00 0.00 O ATOM 566 CB ARG A 245 7.282 2.622 0.049 1.00 0.00 C ATOM 567 CG ARG A 245 8.749 2.779 -0.315 1.00 0.00 C ATOM 568 CD ARG A 245 8.994 4.056 -1.104 1.00 0.00 C ATOM 569 NE ARG A 245 10.362 4.542 -0.948 1.00 0.00 N ATOM 570 CZ ARG A 245 10.765 5.743 -1.348 1.00 0.00 C ATOM 571 NH1 ARG A 245 9.909 6.575 -1.924 1.00 0.00 N ATOM 572 NH2 ARG A 245 12.027 6.114 -1.171 1.00 0.00 N ATOM 0 H ARG A 245 5.153 2.368 1.277 1.00 0.00 H new ATOM 0 HA ARG A 245 7.113 0.508 0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 245 6.700 2.508 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 245 6.937 3.535 0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 245 9.351 2.790 0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 245 9.073 1.920 -0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 245 8.792 3.874 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 245 8.296 4.826 -0.774 1.00 0.00 H new ATOM 0 HE ARG A 245 11.045 3.926 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 245 8.938 6.294 -2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 245 10.221 7.497 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 245 12.689 5.477 -0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 245 12.335 7.036 -1.479 1.00 0.00 H new ATOM 586 N LYS A 246 7.545 1.795 3.306 1.00 0.00 N ATOM 587 CA LYS A 246 8.401 1.825 4.486 1.00 0.00 C ATOM 588 C LYS A 246 8.347 0.495 5.231 1.00 0.00 C ATOM 589 O LYS A 246 8.691 0.419 6.411 1.00 0.00 O ATOM 590 CB LYS A 246 7.977 2.962 5.419 1.00 0.00 C ATOM 591 CG LYS A 246 8.329 4.343 4.894 1.00 0.00 C ATOM 592 CD LYS A 246 7.937 5.431 5.879 1.00 0.00 C ATOM 593 CE LYS A 246 8.950 5.554 7.006 1.00 0.00 C ATOM 594 NZ LYS A 246 10.162 6.309 6.582 1.00 0.00 N ATOM 0 H LYS A 246 6.582 2.084 3.477 1.00 0.00 H new ATOM 0 HA LYS A 246 9.426 1.996 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 246 6.900 2.907 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 246 8.451 2.820 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 246 9.400 4.397 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 246 7.823 4.512 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 246 7.855 6.384 5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 246 6.954 5.210 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 246 8.488 6.056 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 246 9.241 4.559 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 10.828 6.371 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 10.617 5.817 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 9.888 7.267 6.285 1.00 0.00 H new ATOM 608 N VAL A 247 7.916 -0.551 4.534 1.00 0.00 N ATOM 609 CA VAL A 247 7.821 -1.879 5.130 1.00 0.00 C ATOM 610 C VAL A 247 9.035 -2.729 4.774 1.00 0.00 C ATOM 611 O VAL A 247 9.521 -2.720 3.643 1.00 0.00 O ATOM 612 CB VAL A 247 6.545 -2.609 4.671 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.496 -4.015 5.250 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.307 -1.818 5.066 1.00 0.00 C ATOM 0 H VAL A 247 7.627 -0.505 3.557 1.00 0.00 H new ATOM 0 HA VAL A 247 7.783 -1.740 6.210 1.00 0.00 H new ATOM 0 HB VAL A 247 6.565 -2.690 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.587 -4.515 4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.366 -4.578 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.499 -3.961 6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.415 -2.349 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 247 5.279 -1.704 6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.339 -0.834 4.598 1.00 0.00 H new ATOM 624 N PRO A 248 9.539 -3.483 5.762 1.00 0.00 N ATOM 625 CA PRO A 248 10.703 -4.355 5.578 1.00 0.00 C ATOM 626 C PRO A 248 10.394 -5.554 4.688 1.00 0.00 C ATOM 627 O PRO A 248 9.391 -6.239 4.879 1.00 0.00 O ATOM 628 CB PRO A 248 11.030 -4.816 7.000 1.00 0.00 C ATOM 629 CG PRO A 248 9.740 -4.712 7.738 1.00 0.00 C ATOM 630 CD PRO A 248 9.011 -3.544 7.135 1.00 0.00 C ATOM 0 HA PRO A 248 11.525 -3.838 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 248 11.409 -5.838 7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 248 11.797 -4.188 7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 248 9.158 -5.629 7.638 1.00 0.00 H new ATOM 0 HG3 PRO A 248 9.911 -4.557 8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 248 7.932 -3.696 7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 248 9.207 -2.622 7.682 1.00 0.00 H new ATOM 638 N GLY A 249 11.265 -5.802 3.714 1.00 0.00 N ATOM 639 CA GLY A 249 11.067 -6.919 2.809 1.00 0.00 C ATOM 640 C GLY A 249 10.546 -6.483 1.454 1.00 0.00 C ATOM 641 O GLY A 249 10.706 -7.193 0.461 1.00 0.00 O ATOM 0 H GLY A 249 12.104 -5.249 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 249 12.011 -7.448 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.365 -7.624 3.255 1.00 0.00 H new ATOM 645 N VAL A 250 9.919 -5.311 1.412 1.00 0.00 N ATOM 646 CA VAL A 250 9.372 -4.781 0.169 1.00 0.00 C ATOM 647 C VAL A 250 10.464 -4.148 -0.686 1.00 0.00 C ATOM 648 O VAL A 250 10.981 -3.079 -0.361 1.00 0.00 O ATOM 649 CB VAL A 250 8.275 -3.734 0.440 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.847 -3.061 -0.855 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.085 -4.378 1.135 1.00 0.00 C ATOM 0 H VAL A 250 9.778 -4.711 2.225 1.00 0.00 H new ATOM 0 HA VAL A 250 8.935 -5.622 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 250 8.682 -2.969 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 250 7.072 -2.325 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.705 -2.564 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.457 -3.811 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.319 -3.624 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.675 -5.164 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.407 -4.808 2.084 1.00 0.00 H new ATOM 661 N THR A 251 10.810 -4.814 -1.783 1.00 0.00 N ATOM 662 CA THR A 251 11.841 -4.318 -2.686 1.00 0.00 C ATOM 663 C THR A 251 11.416 -3.007 -3.337 1.00 0.00 C ATOM 664 O THR A 251 12.158 -2.025 -3.321 1.00 0.00 O ATOM 665 CB THR A 251 12.165 -5.344 -3.787 1.00 0.00 C ATOM 666 OG1 THR A 251 10.975 -5.677 -4.512 1.00 0.00 O ATOM 667 CG2 THR A 251 12.771 -6.605 -3.191 1.00 0.00 C ATOM 0 H THR A 251 10.391 -5.699 -2.068 1.00 0.00 H new ATOM 0 HA THR A 251 12.734 -4.149 -2.084 1.00 0.00 H new ATOM 0 HB THR A 251 12.891 -4.897 -4.466 1.00 0.00 H new ATOM 0 HG1 THR A 251 11.183 -5.751 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 251 12.991 -7.315 -3.988 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.692 -6.353 -2.665 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.065 -7.053 -2.492 1.00 0.00 H new ATOM 675 N ALA A 252 10.217 -2.998 -3.910 1.00 0.00 N ATOM 676 CA ALA A 252 9.692 -1.806 -4.565 1.00 0.00 C ATOM 677 C ALA A 252 8.168 -1.820 -4.591 1.00 0.00 C ATOM 678 O ALA A 252 7.543 -2.853 -4.349 1.00 0.00 O ATOM 679 CB ALA A 252 10.245 -1.694 -5.978 1.00 0.00 C ATOM 0 H ALA A 252 9.591 -3.803 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 252 10.011 -0.936 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.845 -0.800 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.332 -1.629 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.955 -2.573 -6.553 1.00 0.00 H new ATOM 685 N ILE A 253 7.575 -0.667 -4.886 1.00 0.00 N ATOM 686 CA ILE A 253 6.124 -0.548 -4.943 1.00 0.00 C ATOM 687 C ILE A 253 5.690 0.326 -6.115 1.00 0.00 C ATOM 688 O ILE A 253 5.930 1.533 -6.123 1.00 0.00 O ATOM 689 CB ILE A 253 5.555 0.042 -3.639 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.613 -0.996 -2.516 1.00 0.00 C ATOM 691 CG2 ILE A 253 4.127 0.520 -3.853 1.00 0.00 C ATOM 692 CD1 ILE A 253 5.123 -0.473 -1.184 1.00 0.00 C ATOM 0 H ILE A 253 8.078 0.197 -5.089 1.00 0.00 H new ATOM 0 HA ILE A 253 5.730 -1.555 -5.078 1.00 0.00 H new ATOM 0 HB ILE A 253 6.164 0.898 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.014 -1.861 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.640 -1.343 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.739 0.934 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 253 4.112 1.288 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.505 -0.319 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.193 -1.262 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.737 0.373 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 253 4.085 -0.153 -1.278 1.00 0.00 H new ATOM 704 N GLU A 254 5.048 -0.292 -7.102 1.00 0.00 N ATOM 705 CA GLU A 254 4.580 0.431 -8.278 1.00 0.00 C ATOM 706 C GLU A 254 3.055 0.463 -8.326 1.00 0.00 C ATOM 707 O GLU A 254 2.385 -0.357 -7.695 1.00 0.00 O ATOM 708 CB GLU A 254 5.127 -0.215 -9.553 1.00 0.00 C ATOM 709 CG GLU A 254 6.511 0.280 -9.940 1.00 0.00 C ATOM 710 CD GLU A 254 6.497 1.707 -10.453 1.00 0.00 C ATOM 711 OE1 GLU A 254 5.611 2.037 -11.267 1.00 0.00 O ATOM 712 OE2 GLU A 254 7.375 2.494 -10.039 1.00 0.00 O ATOM 0 H GLU A 254 4.841 -1.291 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 254 4.946 1.455 -8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 254 5.162 -1.296 -9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.437 -0.019 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 254 7.171 0.215 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 254 6.926 -0.374 -10.707 1.00 0.00 H new ATOM 719 N LEU A 255 2.513 1.415 -9.077 1.00 0.00 N ATOM 720 CA LEU A 255 1.066 1.555 -9.207 1.00 0.00 C ATOM 721 C LEU A 255 0.672 1.796 -10.661 1.00 0.00 C ATOM 722 O LEU A 255 1.325 2.557 -11.374 1.00 0.00 O ATOM 723 CB LEU A 255 0.565 2.707 -8.334 1.00 0.00 C ATOM 724 CG LEU A 255 -0.819 3.257 -8.678 1.00 0.00 C ATOM 725 CD1 LEU A 255 -1.893 2.219 -8.392 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.092 4.537 -7.902 1.00 0.00 C ATOM 0 H LEU A 255 3.052 2.101 -9.605 1.00 0.00 H new ATOM 0 HA LEU A 255 0.604 0.626 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.553 2.372 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 255 1.284 3.524 -8.397 1.00 0.00 H new ATOM 0 HG LEU A 255 -0.842 3.489 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -2.871 2.629 -8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -1.708 1.329 -8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -1.871 1.954 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.082 4.914 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.049 4.330 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.341 5.284 -8.157 1.00 0.00 H new ATOM 738 N ASP A 256 -0.402 1.144 -11.092 1.00 0.00 N ATOM 739 CA ASP A 256 -0.887 1.289 -12.460 1.00 0.00 C ATOM 740 C ASP A 256 -2.189 2.083 -12.494 1.00 0.00 C ATOM 741 O ASP A 256 -3.223 1.617 -12.017 1.00 0.00 O ATOM 742 CB ASP A 256 -1.096 -0.085 -13.098 1.00 0.00 C ATOM 743 CG ASP A 256 0.145 -0.590 -13.806 1.00 0.00 C ATOM 744 OD1 ASP A 256 0.647 0.119 -14.703 1.00 0.00 O ATOM 745 OD2 ASP A 256 0.616 -1.696 -13.464 1.00 0.00 O ATOM 0 H ASP A 256 -0.954 0.510 -10.514 1.00 0.00 H new ATOM 0 HA ASP A 256 -0.135 1.835 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -1.387 -0.799 -12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -1.920 -0.030 -13.810 1.00 0.00 H new ATOM 750 N GLU A 257 -2.129 3.285 -13.060 1.00 0.00 N ATOM 751 CA GLU A 257 -3.303 4.144 -13.154 1.00 0.00 C ATOM 752 C GLU A 257 -4.192 3.724 -14.321 1.00 0.00 C ATOM 753 O GLU A 257 -5.418 3.806 -14.242 1.00 0.00 O ATOM 754 CB GLU A 257 -2.882 5.605 -13.319 1.00 0.00 C ATOM 755 CG GLU A 257 -2.136 6.163 -12.118 1.00 0.00 C ATOM 756 CD GLU A 257 -1.379 7.437 -12.442 1.00 0.00 C ATOM 757 OE1 GLU A 257 -1.993 8.522 -12.389 1.00 0.00 O ATOM 758 OE2 GLU A 257 -0.171 7.346 -12.748 1.00 0.00 O ATOM 0 H GLU A 257 -1.280 3.685 -13.460 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.872 4.040 -12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -2.250 5.695 -14.202 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.769 6.212 -13.499 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -2.845 6.361 -11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.437 5.413 -11.749 1.00 0.00 H new ATOM 765 N ASP A 258 -3.566 3.275 -15.403 1.00 0.00 N ATOM 766 CA ASP A 258 -4.299 2.842 -16.586 1.00 0.00 C ATOM 767 C ASP A 258 -5.521 2.016 -16.197 1.00 0.00 C ATOM 768 O ASP A 258 -6.593 2.158 -16.786 1.00 0.00 O ATOM 769 CB ASP A 258 -3.389 2.026 -17.506 1.00 0.00 C ATOM 770 CG ASP A 258 -2.363 2.887 -18.218 1.00 0.00 C ATOM 771 OD1 ASP A 258 -1.823 3.815 -17.581 1.00 0.00 O ATOM 772 OD2 ASP A 258 -2.102 2.633 -19.413 1.00 0.00 O ATOM 0 H ASP A 258 -2.552 3.201 -15.485 1.00 0.00 H new ATOM 0 HA ASP A 258 -4.638 3.731 -17.118 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -2.876 1.263 -16.921 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -3.998 1.505 -18.245 1.00 0.00 H new ATOM 777 N THR A 259 -5.352 1.153 -15.201 1.00 0.00 N ATOM 778 CA THR A 259 -6.440 0.302 -14.734 1.00 0.00 C ATOM 779 C THR A 259 -6.674 0.481 -13.238 1.00 0.00 C ATOM 780 O THR A 259 -7.777 0.257 -12.741 1.00 0.00 O ATOM 781 CB THR A 259 -6.156 -1.183 -15.024 1.00 0.00 C ATOM 782 OG1 THR A 259 -4.956 -1.592 -14.358 1.00 0.00 O ATOM 783 CG2 THR A 259 -6.020 -1.427 -16.519 1.00 0.00 C ATOM 0 H THR A 259 -4.472 1.024 -14.702 1.00 0.00 H new ATOM 0 HA THR A 259 -7.335 0.605 -15.278 1.00 0.00 H new ATOM 0 HB THR A 259 -6.996 -1.769 -14.651 1.00 0.00 H new ATOM 0 HG1 THR A 259 -5.182 -2.187 -13.613 1.00 0.00 H new ATOM 0 HG21 THR A 259 -5.820 -2.483 -16.699 1.00 0.00 H new ATOM 0 HG22 THR A 259 -6.946 -1.143 -17.020 1.00 0.00 H new ATOM 0 HG23 THR A 259 -5.197 -0.830 -16.912 1.00 0.00 H new ATOM 791 N GLY A 260 -5.629 0.887 -12.524 1.00 0.00 N ATOM 792 CA GLY A 260 -5.742 1.089 -11.091 1.00 0.00 C ATOM 793 C GLY A 260 -5.332 -0.136 -10.299 1.00 0.00 C ATOM 794 O GLY A 260 -5.934 -0.450 -9.271 1.00 0.00 O ATOM 0 H GLY A 260 -4.706 1.080 -12.912 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.119 1.934 -10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.771 1.350 -10.844 1.00 0.00 H new ATOM 798 N THR A 261 -4.307 -0.834 -10.777 1.00 0.00 N ATOM 799 CA THR A 261 -3.819 -2.033 -10.108 1.00 0.00 C ATOM 800 C THR A 261 -2.488 -1.772 -9.412 1.00 0.00 C ATOM 801 O THR A 261 -1.495 -1.435 -10.056 1.00 0.00 O ATOM 802 CB THR A 261 -3.647 -3.199 -11.100 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.913 -3.550 -11.669 1.00 0.00 O ATOM 804 CG2 THR A 261 -3.041 -4.412 -10.410 1.00 0.00 C ATOM 0 H THR A 261 -3.798 -0.589 -11.626 1.00 0.00 H new ATOM 0 HA THR A 261 -4.567 -2.306 -9.364 1.00 0.00 H new ATOM 0 HB THR A 261 -2.971 -2.876 -11.892 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.794 -4.291 -12.300 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.929 -5.222 -11.130 1.00 0.00 H new ATOM 0 HG22 THR A 261 -2.064 -4.150 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.695 -4.734 -9.600 1.00 0.00 H new ATOM 812 N PHE A 262 -2.475 -1.930 -8.093 1.00 0.00 N ATOM 813 CA PHE A 262 -1.266 -1.711 -7.308 1.00 0.00 C ATOM 814 C PHE A 262 -0.353 -2.932 -7.364 1.00 0.00 C ATOM 815 O PHE A 262 -0.800 -4.064 -7.178 1.00 0.00 O ATOM 816 CB PHE A 262 -1.625 -1.394 -5.855 1.00 0.00 C ATOM 817 CG PHE A 262 -1.817 0.072 -5.591 1.00 0.00 C ATOM 818 CD1 PHE A 262 -0.726 0.922 -5.505 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.087 0.599 -5.429 1.00 0.00 C ATOM 820 CE1 PHE A 262 -0.900 2.271 -5.261 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.268 1.948 -5.185 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.172 2.785 -5.102 1.00 0.00 C ATOM 0 H PHE A 262 -3.289 -2.209 -7.545 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.734 -0.861 -7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.539 -1.925 -5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -0.837 -1.772 -5.204 1.00 0.00 H new ATOM 0 HD1 PHE A 262 0.271 0.526 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -3.947 -0.051 -5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.042 2.923 -5.195 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.264 2.346 -5.060 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.310 3.839 -4.913 1.00 0.00 H new ATOM 832 N ARG A 263 0.929 -2.694 -7.622 1.00 0.00 N ATOM 833 CA ARG A 263 1.905 -3.774 -7.704 1.00 0.00 C ATOM 834 C ARG A 263 2.959 -3.639 -6.609 1.00 0.00 C ATOM 835 O ARG A 263 3.692 -2.651 -6.558 1.00 0.00 O ATOM 836 CB ARG A 263 2.579 -3.778 -9.078 1.00 0.00 C ATOM 837 CG ARG A 263 1.833 -4.595 -10.120 1.00 0.00 C ATOM 838 CD ARG A 263 2.453 -4.438 -11.500 1.00 0.00 C ATOM 839 NE ARG A 263 1.583 -4.954 -12.553 1.00 0.00 N ATOM 840 CZ ARG A 263 1.999 -5.219 -13.786 1.00 0.00 C ATOM 841 NH1 ARG A 263 3.267 -5.018 -14.119 1.00 0.00 N ATOM 842 NH2 ARG A 263 1.147 -5.686 -14.690 1.00 0.00 N ATOM 0 H ARG A 263 1.316 -1.763 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 263 1.378 -4.718 -7.563 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.671 -2.751 -9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.590 -4.171 -8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.842 -5.647 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.790 -4.281 -10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.661 -3.384 -11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.408 -4.962 -11.530 1.00 0.00 H new ATOM 0 HE ARG A 263 0.602 -5.120 -12.329 1.00 0.00 H new ATOM 0 HH11 ARG A 263 3.925 -4.659 -13.427 1.00 0.00 H new ATOM 0 HH12 ARG A 263 3.584 -5.222 -15.067 1.00 0.00 H new ATOM 0 HH21 ARG A 263 0.171 -5.842 -14.438 1.00 0.00 H new ATOM 0 HH22 ARG A 263 1.468 -5.889 -15.637 1.00 0.00 H new ATOM 856 N ILE A 264 3.028 -4.638 -5.736 1.00 0.00 N ATOM 857 CA ILE A 264 3.992 -4.630 -4.642 1.00 0.00 C ATOM 858 C ILE A 264 5.041 -5.722 -4.826 1.00 0.00 C ATOM 859 O ILE A 264 4.722 -6.840 -5.232 1.00 0.00 O ATOM 860 CB ILE A 264 3.300 -4.822 -3.280 1.00 0.00 C ATOM 861 CG1 ILE A 264 2.019 -3.989 -3.212 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.245 -4.446 -2.148 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.323 -4.058 -1.871 1.00 0.00 C ATOM 0 H ILE A 264 2.429 -5.463 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 264 4.479 -3.655 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 264 3.033 -5.873 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.259 -2.949 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.332 -4.330 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.741 -4.587 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.131 -5.079 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.540 -3.402 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.423 -3.444 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 264 1.051 -5.091 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.993 -3.689 -1.094 1.00 0.00 H new ATOM 875 N TYR A 265 6.291 -5.392 -4.523 1.00 0.00 N ATOM 876 CA TYR A 265 7.387 -6.344 -4.656 1.00 0.00 C ATOM 877 C TYR A 265 8.085 -6.561 -3.317 1.00 0.00 C ATOM 878 O TYR A 265 8.448 -5.606 -2.631 1.00 0.00 O ATOM 879 CB TYR A 265 8.395 -5.852 -5.695 1.00 0.00 C ATOM 880 CG TYR A 265 7.799 -5.656 -7.071 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.209 -4.450 -7.429 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.826 -6.677 -8.013 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.663 -4.267 -8.685 1.00 0.00 C ATOM 884 CE2 TYR A 265 7.283 -6.502 -9.272 1.00 0.00 C ATOM 885 CZ TYR A 265 6.703 -5.296 -9.602 1.00 0.00 C ATOM 886 OH TYR A 265 6.160 -5.118 -10.854 1.00 0.00 O ATOM 0 H TYR A 265 6.571 -4.472 -4.183 1.00 0.00 H new ATOM 0 HA TYR A 265 6.970 -7.295 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.823 -4.909 -5.356 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.214 -6.568 -5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 265 7.177 -3.642 -6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 265 8.279 -7.623 -7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 265 6.208 -3.323 -8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 265 7.313 -7.306 -9.993 1.00 0.00 H new ATOM 0 HH TYR A 265 6.272 -5.938 -11.379 1.00 0.00 H new ATOM 896 N GLY A 266 8.270 -7.825 -2.950 1.00 0.00 N ATOM 897 CA GLY A 266 8.924 -8.146 -1.695 1.00 0.00 C ATOM 898 C GLY A 266 9.577 -9.514 -1.716 1.00 0.00 C ATOM 899 O GLY A 266 9.082 -10.436 -2.363 1.00 0.00 O ATOM 0 H GLY A 266 7.978 -8.633 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.678 -7.390 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 266 8.193 -8.108 -0.887 1.00 0.00 H new ATOM 903 N GLU A 267 10.694 -9.645 -1.005 1.00 0.00 N ATOM 904 CA GLU A 267 11.417 -10.910 -0.947 1.00 0.00 C ATOM 905 C GLU A 267 10.555 -12.001 -0.317 1.00 0.00 C ATOM 906 O GLU A 267 10.649 -13.172 -0.686 1.00 0.00 O ATOM 907 CB GLU A 267 12.713 -10.746 -0.151 1.00 0.00 C ATOM 908 CG GLU A 267 13.837 -10.102 -0.945 1.00 0.00 C ATOM 909 CD GLU A 267 14.522 -11.077 -1.883 1.00 0.00 C ATOM 910 OE1 GLU A 267 14.981 -12.136 -1.406 1.00 0.00 O ATOM 911 OE2 GLU A 267 14.598 -10.783 -3.094 1.00 0.00 O ATOM 0 H GLU A 267 11.117 -8.892 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 267 11.661 -11.207 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.512 -10.142 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 267 13.041 -11.725 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 267 13.437 -9.268 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 267 14.573 -9.689 -0.256 1.00 0.00 H new ATOM 918 N SER A 268 9.716 -11.608 0.636 1.00 0.00 N ATOM 919 CA SER A 268 8.840 -12.551 1.321 1.00 0.00 C ATOM 920 C SER A 268 7.396 -12.060 1.308 1.00 0.00 C ATOM 921 O SER A 268 7.120 -10.902 1.619 1.00 0.00 O ATOM 922 CB SER A 268 9.307 -12.759 2.763 1.00 0.00 C ATOM 923 OG SER A 268 10.519 -13.492 2.806 1.00 0.00 O ATOM 0 H SER A 268 9.624 -10.642 0.951 1.00 0.00 H new ATOM 0 HA SER A 268 8.886 -13.502 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 268 9.446 -11.792 3.247 1.00 0.00 H new ATOM 0 HB3 SER A 268 8.538 -13.289 3.325 1.00 0.00 H new ATOM 0 HG SER A 268 10.797 -13.610 3.738 1.00 0.00 H new ATOM 929 N ALA A 269 6.478 -12.950 0.944 1.00 0.00 N ATOM 930 CA ALA A 269 5.062 -12.609 0.892 1.00 0.00 C ATOM 931 C ALA A 269 4.639 -11.828 2.132 1.00 0.00 C ATOM 932 O ALA A 269 3.831 -10.903 2.048 1.00 0.00 O ATOM 933 CB ALA A 269 4.221 -13.869 0.748 1.00 0.00 C ATOM 0 H ALA A 269 6.690 -13.912 0.681 1.00 0.00 H new ATOM 0 HA ALA A 269 4.898 -11.974 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.165 -13.600 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.496 -14.387 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.398 -14.524 1.601 1.00 0.00 H new ATOM 939 N ASP A 270 5.190 -12.205 3.280 1.00 0.00 N ATOM 940 CA ASP A 270 4.870 -11.539 4.537 1.00 0.00 C ATOM 941 C ASP A 270 5.086 -10.033 4.424 1.00 0.00 C ATOM 942 O ASP A 270 4.322 -9.244 4.979 1.00 0.00 O ATOM 943 CB ASP A 270 5.726 -12.106 5.671 1.00 0.00 C ATOM 944 CG ASP A 270 5.145 -13.380 6.253 1.00 0.00 C ATOM 945 OD1 ASP A 270 4.396 -14.073 5.533 1.00 0.00 O ATOM 946 OD2 ASP A 270 5.439 -13.684 7.428 1.00 0.00 O ATOM 0 H ASP A 270 5.861 -12.969 3.366 1.00 0.00 H new ATOM 0 HA ASP A 270 3.819 -11.721 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 270 6.731 -12.305 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 270 5.820 -11.359 6.460 1.00 0.00 H new ATOM 951 N ALA A 271 6.133 -9.643 3.704 1.00 0.00 N ATOM 952 CA ALA A 271 6.448 -8.232 3.518 1.00 0.00 C ATOM 953 C ALA A 271 5.392 -7.541 2.663 1.00 0.00 C ATOM 954 O ALA A 271 4.679 -6.655 3.135 1.00 0.00 O ATOM 955 CB ALA A 271 7.824 -8.078 2.887 1.00 0.00 C ATOM 0 H ALA A 271 6.777 -10.284 3.240 1.00 0.00 H new ATOM 0 HA ALA A 271 6.453 -7.754 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 271 8.047 -7.019 2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.575 -8.528 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 271 7.838 -8.577 1.918 1.00 0.00 H new ATOM 961 N VAL A 272 5.296 -7.951 1.402 1.00 0.00 N ATOM 962 CA VAL A 272 4.326 -7.372 0.481 1.00 0.00 C ATOM 963 C VAL A 272 2.912 -7.463 1.043 1.00 0.00 C ATOM 964 O VAL A 272 2.062 -6.619 0.757 1.00 0.00 O ATOM 965 CB VAL A 272 4.367 -8.071 -0.891 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.474 -7.487 -1.755 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.550 -9.571 -0.718 1.00 0.00 C ATOM 0 H VAL A 272 5.879 -8.683 0.995 1.00 0.00 H new ATOM 0 HA VAL A 272 4.597 -6.324 0.355 1.00 0.00 H new ATOM 0 HB VAL A 272 3.416 -7.899 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.488 -7.993 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.294 -6.423 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.435 -7.626 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.577 -10.050 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.485 -9.765 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.719 -9.975 -0.140 1.00 0.00 H new ATOM 977 N LYS A 273 2.666 -8.493 1.846 1.00 0.00 N ATOM 978 CA LYS A 273 1.355 -8.695 2.452 1.00 0.00 C ATOM 979 C LYS A 273 1.037 -7.583 3.446 1.00 0.00 C ATOM 980 O LYS A 273 -0.006 -6.936 3.357 1.00 0.00 O ATOM 981 CB LYS A 273 1.299 -10.053 3.155 1.00 0.00 C ATOM 982 CG LYS A 273 0.831 -11.185 2.256 1.00 0.00 C ATOM 983 CD LYS A 273 0.176 -12.298 3.056 1.00 0.00 C ATOM 984 CE LYS A 273 1.205 -13.291 3.575 1.00 0.00 C ATOM 985 NZ LYS A 273 0.689 -14.069 4.735 1.00 0.00 N ATOM 0 H LYS A 273 3.358 -9.201 2.092 1.00 0.00 H new ATOM 0 HA LYS A 273 0.609 -8.672 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.289 -10.293 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.630 -9.981 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 273 0.124 -10.799 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.680 -11.585 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 273 -0.373 -11.870 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -0.550 -12.818 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 273 1.485 -13.976 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 273 2.109 -12.757 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 1.420 -14.734 5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 0.445 -13.418 5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -0.159 -14.599 4.448 1.00 0.00 H new ATOM 999 N LYS A 274 1.944 -7.365 4.392 1.00 0.00 N ATOM 1000 CA LYS A 274 1.763 -6.329 5.402 1.00 0.00 C ATOM 1001 C LYS A 274 1.584 -4.960 4.752 1.00 0.00 C ATOM 1002 O LYS A 274 0.720 -4.181 5.152 1.00 0.00 O ATOM 1003 CB LYS A 274 2.961 -6.300 6.354 1.00 0.00 C ATOM 1004 CG LYS A 274 2.686 -5.565 7.655 1.00 0.00 C ATOM 1005 CD LYS A 274 3.964 -5.007 8.259 1.00 0.00 C ATOM 1006 CE LYS A 274 3.723 -4.449 9.654 1.00 0.00 C ATOM 1007 NZ LYS A 274 4.961 -4.469 10.481 1.00 0.00 N ATOM 0 H LYS A 274 2.813 -7.892 4.480 1.00 0.00 H new ATOM 0 HA LYS A 274 0.862 -6.564 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.259 -7.324 6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 274 3.804 -5.827 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 274 1.983 -4.752 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 274 2.213 -6.244 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.719 -5.792 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.360 -4.222 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 274 3.354 -3.426 9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 274 2.946 -5.032 10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 4.755 -4.081 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 5.299 -5.448 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 5.695 -3.892 10.022 1.00 0.00 H new ATOM 1021 N ALA A 275 2.405 -4.676 3.747 1.00 0.00 N ATOM 1022 CA ALA A 275 2.335 -3.404 3.039 1.00 0.00 C ATOM 1023 C ALA A 275 1.074 -3.319 2.185 1.00 0.00 C ATOM 1024 O ALA A 275 0.507 -2.241 2.004 1.00 0.00 O ATOM 1025 CB ALA A 275 3.573 -3.211 2.176 1.00 0.00 C ATOM 0 H ALA A 275 3.127 -5.310 3.404 1.00 0.00 H new ATOM 0 HA ALA A 275 2.294 -2.606 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.507 -2.257 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.461 -3.218 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.639 -4.020 1.448 1.00 0.00 H new ATOM 1031 N ARG A 276 0.641 -4.462 1.663 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.552 -4.516 0.827 1.00 0.00 C ATOM 1033 C ARG A 276 -1.752 -3.915 1.552 1.00 0.00 C ATOM 1034 O ARG A 276 -2.475 -3.088 0.997 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.856 -5.961 0.427 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.212 -6.138 -0.235 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.393 -7.552 -0.765 1.00 0.00 C ATOM 1038 NE ARG A 276 -2.861 -8.469 0.271 1.00 0.00 N ATOM 1039 CZ ARG A 276 -4.078 -8.420 0.801 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -4.946 -7.504 0.394 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -4.430 -9.290 1.739 1.00 0.00 N ATOM 0 H ARG A 276 1.098 -5.363 1.804 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.361 -3.930 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 276 -0.080 -6.311 -0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.809 -6.592 1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -3.001 -5.914 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.314 -5.426 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -3.106 -7.542 -1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -1.446 -7.912 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 276 -2.218 -9.186 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -4.680 -6.834 -0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -5.880 -7.469 0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -3.766 -9.997 2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -5.365 -9.252 2.145 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.958 -4.336 2.796 1.00 0.00 N ATOM 1056 CA GLY A 277 -3.072 -3.830 3.577 1.00 0.00 C ATOM 1057 C GLY A 277 -3.204 -2.322 3.487 1.00 0.00 C ATOM 1058 O GLY A 277 -4.309 -1.784 3.551 1.00 0.00 O ATOM 0 H GLY A 277 -1.373 -5.019 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.995 -4.294 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.942 -4.119 4.620 1.00 0.00 H new ATOM 1062 N PHE A 278 -2.074 -1.639 3.341 1.00 0.00 N ATOM 1063 CA PHE A 278 -2.068 -0.183 3.246 1.00 0.00 C ATOM 1064 C PHE A 278 -2.603 0.275 1.892 1.00 0.00 C ATOM 1065 O PHE A 278 -3.471 1.146 1.817 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.652 0.357 3.457 1.00 0.00 C ATOM 1067 CG PHE A 278 -0.136 0.155 4.853 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -0.900 0.522 5.949 1.00 0.00 C ATOM 1069 CD2 PHE A 278 1.114 -0.403 5.069 1.00 0.00 C ATOM 1070 CE1 PHE A 278 -0.427 0.338 7.234 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.593 -0.590 6.353 1.00 0.00 C ATOM 1072 CZ PHE A 278 0.821 -0.220 7.436 1.00 0.00 C ATOM 0 H PHE A 278 -1.151 -2.069 3.286 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.719 0.210 4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 278 0.023 -0.131 2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.639 1.422 3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.877 0.957 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.721 -0.695 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -1.032 0.630 8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 278 2.569 -1.025 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 278 1.192 -0.366 8.440 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.079 -0.317 0.825 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.502 0.030 -0.527 1.00 0.00 C ATOM 1084 C LEU A 279 -3.912 -0.480 -0.804 1.00 0.00 C ATOM 1085 O LEU A 279 -4.515 -0.144 -1.823 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.527 -0.550 -1.553 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.128 0.067 -1.573 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.782 -0.703 -2.517 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.197 1.534 -1.974 1.00 0.00 C ATOM 0 H LEU A 279 -1.360 -1.040 0.870 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.505 1.117 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.428 -1.619 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -1.966 -0.439 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 279 0.289 0.005 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.773 -0.249 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.857 -1.739 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 279 0.369 -0.674 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.808 1.956 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.635 1.619 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -0.813 2.078 -1.258 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.432 -1.293 0.110 1.00 0.00 N ATOM 1102 CA GLU A 280 -5.773 -1.848 -0.036 1.00 0.00 C ATOM 1103 C GLU A 280 -6.831 -0.756 0.090 1.00 0.00 C ATOM 1104 O GLU A 280 -6.694 0.166 0.894 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.016 -2.934 1.014 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.366 -4.265 0.677 1.00 0.00 C ATOM 1107 CD GLU A 280 -6.102 -5.013 -0.417 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -7.245 -5.451 -0.171 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -5.535 -5.161 -1.520 1.00 0.00 O ATOM 0 H GLU A 280 -3.946 -1.582 0.959 1.00 0.00 H new ATOM 0 HA GLU A 280 -5.850 -2.290 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -5.638 -2.588 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.090 -3.083 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -4.336 -4.093 0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -5.328 -4.884 1.573 1.00 0.00 H new