USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=9 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= -0.109 USER MOD Single : A 220 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.078) USER MOD Single : A 230 MET CE :methyl -176:sc= -5.96! (180deg=-6.15!) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 HIS : no HD1:sc= -0.0748 X(o=-0.075,f=-0.011) USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 240 ASN : amide:sc= -0.653 K(o=-0.65,f=-3.9!) USER MOD Single : A 242 GLN : amide:sc= 0.0692 X(o=0.069,f=0) USER MOD Single : A 243 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 THR OG1 : rot 120:sc= -1.1 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+ 153:sc= -0.069 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 12.082 -9.428 -6.543 1.00 0.00 N ATOM 149 CA ALA A 217 11.057 -9.766 -5.563 1.00 0.00 C ATOM 150 C ALA A 217 10.474 -11.149 -5.834 1.00 0.00 C ATOM 151 O ALA A 217 9.824 -11.370 -6.856 1.00 0.00 O ATOM 152 CB ALA A 217 9.956 -8.717 -5.567 1.00 0.00 C ATOM 0 HA ALA A 217 11.523 -9.783 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.198 -8.983 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.379 -7.744 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.501 -8.671 -6.556 1.00 0.00 H new ATOM 158 N ALA A 218 10.711 -12.077 -4.913 1.00 0.00 N ATOM 159 CA ALA A 218 10.208 -13.438 -5.052 1.00 0.00 C ATOM 160 C ALA A 218 8.695 -13.485 -4.866 1.00 0.00 C ATOM 161 O ALA A 218 8.016 -14.343 -5.431 1.00 0.00 O ATOM 162 CB ALA A 218 10.894 -14.359 -4.054 1.00 0.00 C ATOM 0 H ALA A 218 11.248 -11.911 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 218 10.435 -13.782 -6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.509 -15.372 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 218 11.969 -14.357 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.697 -14.009 -3.041 1.00 0.00 H new ATOM 168 N PHE A 219 8.172 -12.559 -4.069 1.00 0.00 N ATOM 169 CA PHE A 219 6.739 -12.497 -3.807 1.00 0.00 C ATOM 170 C PHE A 219 6.177 -11.127 -4.178 1.00 0.00 C ATOM 171 O PHE A 219 6.521 -10.116 -3.565 1.00 0.00 O ATOM 172 CB PHE A 219 6.455 -12.794 -2.333 1.00 0.00 C ATOM 173 CG PHE A 219 6.718 -14.223 -1.949 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.988 -14.631 -1.575 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.694 -15.156 -1.961 1.00 0.00 C ATOM 176 CE1 PHE A 219 8.232 -15.944 -1.222 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.933 -16.472 -1.608 1.00 0.00 C ATOM 178 CZ PHE A 219 7.203 -16.866 -1.237 1.00 0.00 C ATOM 0 H PHE A 219 8.719 -11.841 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 219 6.250 -13.251 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 219 7.069 -12.140 -1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.414 -12.553 -2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.796 -13.915 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.698 -14.853 -2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 219 9.227 -16.250 -0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 219 5.127 -17.191 -1.623 1.00 0.00 H new ATOM 0 HZ PHE A 219 7.392 -17.892 -0.959 1.00 0.00 H new ATOM 188 N HIS A 220 5.311 -11.103 -5.186 1.00 0.00 N ATOM 189 CA HIS A 220 4.701 -9.858 -5.640 1.00 0.00 C ATOM 190 C HIS A 220 3.186 -9.901 -5.467 1.00 0.00 C ATOM 191 O HIS A 220 2.565 -10.953 -5.615 1.00 0.00 O ATOM 192 CB HIS A 220 5.051 -9.598 -7.105 1.00 0.00 C ATOM 193 CG HIS A 220 4.719 -10.742 -8.012 1.00 0.00 C ATOM 194 ND1 HIS A 220 5.665 -11.404 -8.767 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.537 -11.343 -8.283 1.00 0.00 C ATOM 196 CE1 HIS A 220 5.078 -12.361 -9.464 1.00 0.00 C ATOM 197 NE2 HIS A 220 3.787 -12.345 -9.188 1.00 0.00 N ATOM 0 H HIS A 220 5.016 -11.931 -5.704 1.00 0.00 H new ATOM 0 HA HIS A 220 5.096 -9.045 -5.030 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.519 -8.709 -7.445 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.116 -9.381 -7.182 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.576 -11.083 -7.865 1.00 0.00 H new ATOM 0 HE1 HIS A 220 5.570 -13.041 -10.144 1.00 0.00 H new ATOM 0 HE2 HIS A 220 3.089 -12.975 -9.583 1.00 0.00 H new ATOM 205 N GLU A 221 2.598 -8.751 -5.151 1.00 0.00 N ATOM 206 CA GLU A 221 1.156 -8.660 -4.956 1.00 0.00 C ATOM 207 C GLU A 221 0.516 -7.784 -6.030 1.00 0.00 C ATOM 208 O GLU A 221 1.003 -6.693 -6.325 1.00 0.00 O ATOM 209 CB GLU A 221 0.841 -8.096 -3.569 1.00 0.00 C ATOM 210 CG GLU A 221 0.899 -9.136 -2.462 1.00 0.00 C ATOM 211 CD GLU A 221 -0.263 -10.109 -2.514 1.00 0.00 C ATOM 212 OE1 GLU A 221 -1.387 -9.675 -2.841 1.00 0.00 O ATOM 213 OE2 GLU A 221 -0.047 -11.305 -2.226 1.00 0.00 O ATOM 0 H GLU A 221 3.098 -7.871 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 221 0.741 -9.665 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.546 -7.296 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 221 -0.153 -7.649 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 221 1.835 -9.689 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 221 0.903 -8.632 -1.495 1.00 0.00 H new ATOM 220 N GLU A 222 -0.576 -8.271 -6.610 1.00 0.00 N ATOM 221 CA GLU A 222 -1.281 -7.533 -7.651 1.00 0.00 C ATOM 222 C GLU A 222 -2.790 -7.578 -7.424 1.00 0.00 C ATOM 223 O GLU A 222 -3.402 -8.645 -7.453 1.00 0.00 O ATOM 224 CB GLU A 222 -0.945 -8.107 -9.030 1.00 0.00 C ATOM 225 CG GLU A 222 -1.866 -7.615 -10.134 1.00 0.00 C ATOM 226 CD GLU A 222 -3.255 -8.217 -10.047 1.00 0.00 C ATOM 227 OE1 GLU A 222 -3.410 -9.405 -10.400 1.00 0.00 O ATOM 228 OE2 GLU A 222 -4.186 -7.500 -9.626 1.00 0.00 O ATOM 0 H GLU A 222 -0.992 -9.173 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.955 -6.494 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 222 0.083 -7.846 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -0.996 -9.195 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -1.941 -6.529 -10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -1.429 -7.858 -11.102 1.00 0.00 H new ATOM 235 N PHE A 223 -3.382 -6.410 -7.197 1.00 0.00 N ATOM 236 CA PHE A 223 -4.818 -6.315 -6.962 1.00 0.00 C ATOM 237 C PHE A 223 -5.393 -5.058 -7.611 1.00 0.00 C ATOM 238 O PHE A 223 -4.698 -4.055 -7.770 1.00 0.00 O ATOM 239 CB PHE A 223 -5.112 -6.308 -5.461 1.00 0.00 C ATOM 240 CG PHE A 223 -4.200 -5.409 -4.676 1.00 0.00 C ATOM 241 CD1 PHE A 223 -2.980 -5.873 -4.212 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.563 -4.100 -4.401 1.00 0.00 C ATOM 243 CE1 PHE A 223 -2.138 -5.049 -3.489 1.00 0.00 C ATOM 244 CE2 PHE A 223 -3.725 -3.271 -3.680 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.511 -3.747 -3.222 1.00 0.00 C ATOM 0 H PHE A 223 -2.890 -5.517 -7.171 1.00 0.00 H new ATOM 0 HA PHE A 223 -5.293 -7.186 -7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -6.144 -5.994 -5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -5.026 -7.325 -5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.683 -6.891 -4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.512 -3.724 -4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -1.189 -5.423 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -4.018 -2.252 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 223 -1.855 -3.102 -2.656 1.00 0.00 H new ATOM 255 N VAL A 224 -6.667 -5.122 -7.983 1.00 0.00 N ATOM 256 CA VAL A 224 -7.337 -3.990 -8.614 1.00 0.00 C ATOM 257 C VAL A 224 -8.232 -3.259 -7.620 1.00 0.00 C ATOM 258 O VAL A 224 -9.141 -3.849 -7.035 1.00 0.00 O ATOM 259 CB VAL A 224 -8.185 -4.440 -9.818 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.688 -3.234 -10.597 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.383 -5.369 -10.717 1.00 0.00 C ATOM 0 H VAL A 224 -7.256 -5.945 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.557 -3.313 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 224 -9.050 -4.989 -9.446 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.285 -3.571 -11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.301 -2.610 -9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.839 -2.655 -10.960 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.998 -5.677 -11.563 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.498 -4.847 -11.082 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -7.077 -6.249 -10.151 1.00 0.00 H new ATOM 271 N VAL A 225 -7.971 -1.969 -7.434 1.00 0.00 N ATOM 272 CA VAL A 225 -8.754 -1.155 -6.513 1.00 0.00 C ATOM 273 C VAL A 225 -9.630 -0.161 -7.266 1.00 0.00 C ATOM 274 O VAL A 225 -9.239 0.360 -8.311 1.00 0.00 O ATOM 275 CB VAL A 225 -7.847 -0.384 -5.535 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.680 0.495 -4.614 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.989 -1.350 -4.731 1.00 0.00 C ATOM 0 H VAL A 225 -7.222 -1.465 -7.910 1.00 0.00 H new ATOM 0 HA VAL A 225 -9.388 -1.838 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 225 -7.185 0.261 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -8.022 1.032 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -9.247 1.211 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -9.368 -0.127 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -6.354 -0.789 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.632 -2.022 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.365 -1.933 -5.408 1.00 0.00 H new ATOM 287 N ARG A 226 -10.818 0.099 -6.729 1.00 0.00 N ATOM 288 CA ARG A 226 -11.751 1.030 -7.351 1.00 0.00 C ATOM 289 C ARG A 226 -11.144 2.428 -7.442 1.00 0.00 C ATOM 290 O ARG A 226 -10.763 3.016 -6.431 1.00 0.00 O ATOM 291 CB ARG A 226 -13.059 1.081 -6.559 1.00 0.00 C ATOM 292 CG ARG A 226 -14.066 0.022 -6.977 1.00 0.00 C ATOM 293 CD ARG A 226 -15.411 0.234 -6.301 1.00 0.00 C ATOM 294 NE ARG A 226 -16.428 -0.684 -6.805 1.00 0.00 N ATOM 295 CZ ARG A 226 -17.529 -1.002 -6.133 1.00 0.00 C ATOM 296 NH1 ARG A 226 -17.753 -0.478 -4.936 1.00 0.00 N ATOM 297 NH2 ARG A 226 -18.408 -1.846 -6.658 1.00 0.00 N ATOM 0 H ARG A 226 -11.157 -0.323 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.960 0.676 -8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.837 0.960 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.509 2.066 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -14.194 0.047 -8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -13.682 -0.966 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -15.301 0.098 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -15.739 1.261 -6.461 1.00 0.00 H new ATOM 0 HE ARG A 226 -16.285 -1.104 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -17.079 0.171 -4.529 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -18.599 -0.724 -4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -18.239 -2.251 -7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -19.253 -2.089 -6.141 1.00 0.00 H new ATOM 311 N GLU A 227 -11.059 2.952 -8.661 1.00 0.00 N ATOM 312 CA GLU A 227 -10.497 4.279 -8.883 1.00 0.00 C ATOM 313 C GLU A 227 -10.953 5.251 -7.799 1.00 0.00 C ATOM 314 O GLU A 227 -10.222 6.168 -7.425 1.00 0.00 O ATOM 315 CB GLU A 227 -10.906 4.806 -10.260 1.00 0.00 C ATOM 316 CG GLU A 227 -10.050 5.963 -10.747 1.00 0.00 C ATOM 317 CD GLU A 227 -10.418 6.411 -12.149 1.00 0.00 C ATOM 318 OE1 GLU A 227 -11.503 7.005 -12.316 1.00 0.00 O ATOM 319 OE2 GLU A 227 -9.620 6.166 -13.078 1.00 0.00 O ATOM 0 H GLU A 227 -11.372 2.478 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.411 4.197 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -10.848 3.992 -10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -11.947 5.126 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -10.157 6.803 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -9.001 5.667 -10.728 1.00 0.00 H new ATOM 326 N ASP A 228 -12.167 5.044 -7.299 1.00 0.00 N ATOM 327 CA ASP A 228 -12.721 5.901 -6.258 1.00 0.00 C ATOM 328 C ASP A 228 -12.080 5.599 -4.907 1.00 0.00 C ATOM 329 O ASP A 228 -11.742 6.510 -4.151 1.00 0.00 O ATOM 330 CB ASP A 228 -14.237 5.716 -6.170 1.00 0.00 C ATOM 331 CG ASP A 228 -14.987 6.614 -7.134 1.00 0.00 C ATOM 332 OD1 ASP A 228 -14.570 7.779 -7.305 1.00 0.00 O ATOM 333 OD2 ASP A 228 -15.990 6.153 -7.717 1.00 0.00 O ATOM 0 H ASP A 228 -12.786 4.290 -7.598 1.00 0.00 H new ATOM 0 HA ASP A 228 -12.503 6.936 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -14.486 4.676 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -14.567 5.924 -5.152 1.00 0.00 H new ATOM 338 N LEU A 229 -11.917 4.314 -4.610 1.00 0.00 N ATOM 339 CA LEU A 229 -11.317 3.891 -3.349 1.00 0.00 C ATOM 340 C LEU A 229 -9.822 4.194 -3.328 1.00 0.00 C ATOM 341 O LEU A 229 -9.227 4.361 -2.264 1.00 0.00 O ATOM 342 CB LEU A 229 -11.549 2.396 -3.127 1.00 0.00 C ATOM 343 CG LEU A 229 -13.008 1.951 -3.024 1.00 0.00 C ATOM 344 CD1 LEU A 229 -13.106 0.433 -3.033 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.652 2.521 -1.768 1.00 0.00 C ATOM 0 H LEU A 229 -12.192 3.548 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 229 -11.793 4.450 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -11.081 1.851 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -11.035 2.101 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.546 2.334 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -14.152 0.135 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -12.684 0.047 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.553 0.028 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.690 2.194 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -13.112 2.168 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.616 3.610 -1.803 1.00 0.00 H new ATOM 357 N MET A 230 -9.222 4.266 -4.512 1.00 0.00 N ATOM 358 CA MET A 230 -7.797 4.553 -4.629 1.00 0.00 C ATOM 359 C MET A 230 -7.407 5.739 -3.753 1.00 0.00 C ATOM 360 O MET A 230 -6.634 5.596 -2.806 1.00 0.00 O ATOM 361 CB MET A 230 -7.431 4.839 -6.087 1.00 0.00 C ATOM 362 CG MET A 230 -7.444 3.603 -6.971 1.00 0.00 C ATOM 363 SD MET A 230 -6.817 3.928 -8.630 1.00 0.00 S ATOM 364 CE MET A 230 -5.218 3.124 -8.551 1.00 0.00 C ATOM 0 H MET A 230 -9.700 4.130 -5.403 1.00 0.00 H new ATOM 0 HA MET A 230 -7.246 3.676 -4.288 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.129 5.572 -6.491 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.439 5.290 -6.122 1.00 0.00 H new ATOM 0 HG2 MET A 230 -6.842 2.822 -6.506 1.00 0.00 H new ATOM 0 HG3 MET A 230 -8.463 3.221 -7.040 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.677 3.298 -9.481 1.00 0.00 H new ATOM 0 HE2 MET A 230 -4.647 3.531 -7.717 1.00 0.00 H new ATOM 0 HE3 MET A 230 -5.356 2.052 -8.407 1.00 0.00 H new ATOM 374 N GLY A 231 -7.946 6.911 -4.075 1.00 0.00 N ATOM 375 CA GLY A 231 -7.642 8.104 -3.307 1.00 0.00 C ATOM 376 C GLY A 231 -7.490 7.817 -1.826 1.00 0.00 C ATOM 377 O GLY A 231 -6.494 8.200 -1.211 1.00 0.00 O ATOM 0 H GLY A 231 -8.588 7.055 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -6.722 8.550 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -8.435 8.838 -3.452 1.00 0.00 H new ATOM 381 N LEU A 232 -8.481 7.144 -1.251 1.00 0.00 N ATOM 382 CA LEU A 232 -8.454 6.807 0.168 1.00 0.00 C ATOM 383 C LEU A 232 -7.346 5.803 0.469 1.00 0.00 C ATOM 384 O LEU A 232 -6.608 5.952 1.443 1.00 0.00 O ATOM 385 CB LEU A 232 -9.806 6.238 0.603 1.00 0.00 C ATOM 386 CG LEU A 232 -10.992 7.200 0.535 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.304 6.438 0.642 1.00 0.00 C ATOM 388 CD2 LEU A 232 -10.892 8.249 1.634 1.00 0.00 C ATOM 0 H LEU A 232 -9.313 6.821 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.253 7.720 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.030 5.372 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -9.714 5.879 1.628 1.00 0.00 H new ATOM 0 HG LEU A 232 -10.968 7.708 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.137 7.139 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.379 5.726 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.337 5.902 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -11.745 8.925 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -10.891 7.758 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -9.969 8.816 1.513 1.00 0.00 H new ATOM 400 N ALA A 233 -7.234 4.783 -0.375 1.00 0.00 N ATOM 401 CA ALA A 233 -6.213 3.757 -0.202 1.00 0.00 C ATOM 402 C ALA A 233 -4.820 4.374 -0.137 1.00 0.00 C ATOM 403 O ALA A 233 -3.967 3.922 0.628 1.00 0.00 O ATOM 404 CB ALA A 233 -6.290 2.740 -1.331 1.00 0.00 C ATOM 0 H ALA A 233 -7.838 4.645 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.401 3.248 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.522 1.980 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.272 2.268 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.131 3.243 -2.285 1.00 0.00 H new ATOM 410 N ILE A 234 -4.597 5.406 -0.943 1.00 0.00 N ATOM 411 CA ILE A 234 -3.307 6.084 -0.975 1.00 0.00 C ATOM 412 C ILE A 234 -3.206 7.127 0.133 1.00 0.00 C ATOM 413 O ILE A 234 -2.115 7.437 0.610 1.00 0.00 O ATOM 414 CB ILE A 234 -3.066 6.770 -2.333 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.241 5.766 -3.474 1.00 0.00 C ATOM 416 CG2 ILE A 234 -1.678 7.391 -2.374 1.00 0.00 C ATOM 417 CD1 ILE A 234 -2.997 6.360 -4.844 1.00 0.00 C ATOM 0 H ILE A 234 -5.292 5.791 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 234 -2.545 5.320 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 234 -3.801 7.565 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.556 4.932 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.252 5.360 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -1.523 7.872 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -1.588 8.133 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -0.927 6.614 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.139 5.592 -5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -3.699 7.176 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -1.977 6.741 -4.899 1.00 0.00 H new ATOM 429 N GLY A 235 -4.353 7.663 0.541 1.00 0.00 N ATOM 430 CA GLY A 235 -4.371 8.663 1.591 1.00 0.00 C ATOM 431 C GLY A 235 -4.252 10.074 1.051 1.00 0.00 C ATOM 432 O GLY A 235 -4.624 10.344 -0.092 1.00 0.00 O ATOM 0 H GLY A 235 -5.269 7.422 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.297 8.572 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -3.552 8.472 2.284 1.00 0.00 H new ATOM 436 N THR A 236 -3.734 10.980 1.874 1.00 0.00 N ATOM 437 CA THR A 236 -3.569 12.372 1.474 1.00 0.00 C ATOM 438 C THR A 236 -2.099 12.714 1.264 1.00 0.00 C ATOM 439 O THR A 236 -1.298 12.655 2.198 1.00 0.00 O ATOM 440 CB THR A 236 -4.164 13.332 2.521 1.00 0.00 C ATOM 441 OG1 THR A 236 -5.551 13.039 2.723 1.00 0.00 O ATOM 442 CG2 THR A 236 -4.005 14.779 2.080 1.00 0.00 C ATOM 0 H THR A 236 -3.421 10.774 2.823 1.00 0.00 H new ATOM 0 HA THR A 236 -4.105 12.495 0.533 1.00 0.00 H new ATOM 0 HB THR A 236 -3.624 13.193 3.458 1.00 0.00 H new ATOM 0 HG1 THR A 236 -5.921 13.653 3.391 1.00 0.00 H new ATOM 0 HG21 THR A 236 -4.433 15.439 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 236 -2.946 15.007 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 236 -4.522 14.929 1.132 1.00 0.00 H new ATOM 450 N HIS A 237 -1.748 13.072 0.033 1.00 0.00 N ATOM 451 CA HIS A 237 -0.373 13.425 -0.298 1.00 0.00 C ATOM 452 C HIS A 237 0.514 12.184 -0.329 1.00 0.00 C ATOM 453 O HIS A 237 1.706 12.253 -0.032 1.00 0.00 O ATOM 454 CB HIS A 237 0.175 14.433 0.712 1.00 0.00 C ATOM 455 CG HIS A 237 1.284 15.282 0.171 1.00 0.00 C ATOM 456 ND1 HIS A 237 1.066 16.454 -0.521 1.00 0.00 N ATOM 457 CD2 HIS A 237 2.627 15.123 0.225 1.00 0.00 C ATOM 458 CE1 HIS A 237 2.226 16.979 -0.871 1.00 0.00 C ATOM 459 NE2 HIS A 237 3.190 16.191 -0.430 1.00 0.00 N ATOM 0 H HIS A 237 -2.397 13.125 -0.752 1.00 0.00 H new ATOM 0 HA HIS A 237 -0.369 13.878 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 237 -0.637 15.080 1.044 1.00 0.00 H new ATOM 0 HB3 HIS A 237 0.535 13.896 1.590 1.00 0.00 H new ATOM 0 HD2 HIS A 237 3.157 14.308 0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 237 2.363 17.897 -1.424 1.00 0.00 H new ATOM 0 HE2 HIS A 237 4.190 16.350 -0.555 1.00 0.00 H new ATOM 467 N GLY A 238 -0.076 11.049 -0.690 1.00 0.00 N ATOM 468 CA GLY A 238 0.675 9.809 -0.751 1.00 0.00 C ATOM 469 C GLY A 238 1.167 9.361 0.610 1.00 0.00 C ATOM 470 O GLY A 238 2.366 9.170 0.813 1.00 0.00 O ATOM 0 H GLY A 238 -1.061 10.966 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 238 0.047 9.029 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.528 9.937 -1.418 1.00 0.00 H new ATOM 474 N SER A 239 0.240 9.194 1.548 1.00 0.00 N ATOM 475 CA SER A 239 0.587 8.771 2.900 1.00 0.00 C ATOM 476 C SER A 239 0.653 7.250 2.993 1.00 0.00 C ATOM 477 O SER A 239 1.682 6.684 3.356 1.00 0.00 O ATOM 478 CB SER A 239 -0.434 9.311 3.903 1.00 0.00 C ATOM 479 OG SER A 239 -0.196 8.794 5.201 1.00 0.00 O ATOM 0 H SER A 239 -0.757 9.345 1.397 1.00 0.00 H new ATOM 0 HA SER A 239 1.570 9.175 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 239 -0.384 10.400 3.927 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.441 9.045 3.581 1.00 0.00 H new ATOM 0 HG SER A 239 -0.861 9.155 5.824 1.00 0.00 H new ATOM 485 N ASN A 240 -0.456 6.595 2.662 1.00 0.00 N ATOM 486 CA ASN A 240 -0.525 5.139 2.709 1.00 0.00 C ATOM 487 C ASN A 240 0.642 4.514 1.951 1.00 0.00 C ATOM 488 O ASN A 240 1.437 3.766 2.522 1.00 0.00 O ATOM 489 CB ASN A 240 -1.850 4.651 2.119 1.00 0.00 C ATOM 490 CG ASN A 240 -3.039 5.022 2.984 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.250 6.194 3.299 1.00 0.00 O ATOM 492 ND2 ASN A 240 -3.823 4.023 3.371 1.00 0.00 N ATOM 0 H ASN A 240 -1.318 7.049 2.359 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.464 4.831 3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -1.981 5.077 1.124 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -1.815 3.568 2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -4.639 4.211 3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.609 3.067 3.086 1.00 0.00 H new ATOM 499 N ILE A 241 0.740 4.826 0.663 1.00 0.00 N ATOM 500 CA ILE A 241 1.811 4.296 -0.172 1.00 0.00 C ATOM 501 C ILE A 241 3.148 4.336 0.559 1.00 0.00 C ATOM 502 O ILE A 241 3.880 3.347 0.587 1.00 0.00 O ATOM 503 CB ILE A 241 1.936 5.081 -1.491 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.752 4.769 -2.409 1.00 0.00 C ATOM 505 CG2 ILE A 241 3.250 4.749 -2.181 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.805 5.500 -3.733 1.00 0.00 C ATOM 0 H ILE A 241 0.091 5.443 0.175 1.00 0.00 H new ATOM 0 HA ILE A 241 1.554 3.261 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 241 1.926 6.147 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.721 3.696 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.174 5.030 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 241 3.324 5.311 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 241 4.081 5.016 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 241 3.287 3.681 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.065 5.231 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.805 6.575 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.713 5.221 -4.267 1.00 0.00 H new ATOM 518 N GLN A 242 3.459 5.485 1.151 1.00 0.00 N ATOM 519 CA GLN A 242 4.709 5.653 1.883 1.00 0.00 C ATOM 520 C GLN A 242 4.858 4.581 2.958 1.00 0.00 C ATOM 521 O GLN A 242 5.853 3.858 2.992 1.00 0.00 O ATOM 522 CB GLN A 242 4.768 7.042 2.520 1.00 0.00 C ATOM 523 CG GLN A 242 5.344 8.108 1.602 1.00 0.00 C ATOM 524 CD GLN A 242 5.578 9.427 2.312 1.00 0.00 C ATOM 525 OE1 GLN A 242 6.716 9.877 2.450 1.00 0.00 O ATOM 526 NE2 GLN A 242 4.500 10.053 2.769 1.00 0.00 N ATOM 0 H GLN A 242 2.863 6.313 1.138 1.00 0.00 H new ATOM 0 HA GLN A 242 5.532 5.550 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.763 7.338 2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 242 5.370 6.991 3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 242 6.286 7.752 1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.665 8.266 0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 242 3.576 9.643 2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 242 4.596 10.944 3.257 1.00 0.00 H new ATOM 535 N GLN A 243 3.863 4.486 3.834 1.00 0.00 N ATOM 536 CA GLN A 243 3.885 3.503 4.910 1.00 0.00 C ATOM 537 C GLN A 243 4.235 2.118 4.376 1.00 0.00 C ATOM 538 O GLN A 243 5.174 1.478 4.849 1.00 0.00 O ATOM 539 CB GLN A 243 2.530 3.461 5.619 1.00 0.00 C ATOM 540 CG GLN A 243 2.236 4.705 6.442 1.00 0.00 C ATOM 541 CD GLN A 243 3.187 4.870 7.611 1.00 0.00 C ATOM 542 OE1 GLN A 243 4.156 5.625 7.536 1.00 0.00 O ATOM 543 NE2 GLN A 243 2.913 4.162 8.701 1.00 0.00 N ATOM 0 H GLN A 243 3.032 5.078 3.820 1.00 0.00 H new ATOM 0 HA GLN A 243 4.652 3.802 5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 243 1.744 3.333 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.497 2.588 6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.299 5.584 5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 243 1.213 4.656 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 243 2.099 3.548 8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 243 3.517 4.232 9.520 1.00 0.00 H new ATOM 552 N ALA A 244 3.473 1.661 3.387 1.00 0.00 N ATOM 553 CA ALA A 244 3.704 0.352 2.787 1.00 0.00 C ATOM 554 C ALA A 244 5.155 0.201 2.342 1.00 0.00 C ATOM 555 O ALA A 244 5.759 -0.858 2.513 1.00 0.00 O ATOM 556 CB ALA A 244 2.764 0.138 1.611 1.00 0.00 C ATOM 0 H ALA A 244 2.691 2.178 2.985 1.00 0.00 H new ATOM 0 HA ALA A 244 3.502 -0.408 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 244 2.947 -0.843 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.731 0.194 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 244 2.939 0.909 0.861 1.00 0.00 H new ATOM 562 N ARG A 245 5.708 1.266 1.771 1.00 0.00 N ATOM 563 CA ARG A 245 7.087 1.250 1.299 1.00 0.00 C ATOM 564 C ARG A 245 8.063 1.242 2.472 1.00 0.00 C ATOM 565 O ARG A 245 9.229 0.878 2.322 1.00 0.00 O ATOM 566 CB ARG A 245 7.357 2.462 0.405 1.00 0.00 C ATOM 567 CG ARG A 245 8.751 2.473 -0.200 1.00 0.00 C ATOM 568 CD ARG A 245 8.963 3.689 -1.088 1.00 0.00 C ATOM 569 NE ARG A 245 10.365 4.094 -1.137 1.00 0.00 N ATOM 570 CZ ARG A 245 10.795 5.182 -1.768 1.00 0.00 C ATOM 571 NH1 ARG A 245 9.935 5.969 -2.399 1.00 0.00 N ATOM 572 NH2 ARG A 245 12.087 5.484 -1.767 1.00 0.00 N ATOM 0 H ARG A 245 5.222 2.151 1.624 1.00 0.00 H new ATOM 0 HA ARG A 245 7.235 0.339 0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 245 6.621 2.481 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 245 7.216 3.372 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 245 9.495 2.469 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 245 8.903 1.565 -0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 245 8.615 3.466 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 245 8.359 4.518 -0.718 1.00 0.00 H new ATOM 0 HE ARG A 245 11.052 3.510 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 245 8.941 5.740 -2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 245 10.267 6.803 -2.883 1.00 0.00 H new ATOM 0 HH21 ARG A 245 12.751 4.881 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 245 12.416 6.319 -2.252 1.00 0.00 H new ATOM 586 N LYS A 246 7.578 1.647 3.641 1.00 0.00 N ATOM 587 CA LYS A 246 8.405 1.686 4.841 1.00 0.00 C ATOM 588 C LYS A 246 8.430 0.326 5.530 1.00 0.00 C ATOM 589 O LYS A 246 8.826 0.213 6.690 1.00 0.00 O ATOM 590 CB LYS A 246 7.883 2.750 5.810 1.00 0.00 C ATOM 591 CG LYS A 246 8.214 4.171 5.389 1.00 0.00 C ATOM 592 CD LYS A 246 7.692 5.186 6.392 1.00 0.00 C ATOM 593 CE LYS A 246 8.462 6.496 6.312 1.00 0.00 C ATOM 594 NZ LYS A 246 9.661 6.490 7.195 1.00 0.00 N ATOM 0 H LYS A 246 6.615 1.953 3.783 1.00 0.00 H new ATOM 0 HA LYS A 246 9.422 1.941 4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 246 6.801 2.649 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 246 8.303 2.566 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 246 9.294 4.279 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 246 7.781 4.371 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 246 6.634 5.372 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 246 7.771 4.777 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 246 8.771 6.673 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 246 7.807 7.320 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 10.158 7.400 7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 9.365 6.346 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 10.299 5.720 6.909 1.00 0.00 H new ATOM 608 N VAL A 247 8.008 -0.707 4.806 1.00 0.00 N ATOM 609 CA VAL A 247 7.985 -2.061 5.347 1.00 0.00 C ATOM 610 C VAL A 247 9.209 -2.851 4.900 1.00 0.00 C ATOM 611 O VAL A 247 9.633 -2.787 3.745 1.00 0.00 O ATOM 612 CB VAL A 247 6.714 -2.816 4.915 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.755 -4.255 5.405 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.471 -2.105 5.430 1.00 0.00 C ATOM 0 H VAL A 247 7.678 -0.632 3.844 1.00 0.00 H new ATOM 0 HA VAL A 247 7.992 -1.969 6.433 1.00 0.00 H new ATOM 0 HB VAL A 247 6.673 -2.829 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.849 -4.772 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.625 -4.758 4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.820 -4.267 6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.582 -2.652 5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 247 5.503 -2.059 6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.436 -1.093 5.025 1.00 0.00 H new ATOM 624 N PRO A 248 9.793 -3.617 5.834 1.00 0.00 N ATOM 625 CA PRO A 248 10.976 -4.437 5.559 1.00 0.00 C ATOM 626 C PRO A 248 10.665 -5.617 4.646 1.00 0.00 C ATOM 627 O PRO A 248 9.688 -6.335 4.855 1.00 0.00 O ATOM 628 CB PRO A 248 11.396 -4.929 6.946 1.00 0.00 C ATOM 629 CG PRO A 248 10.145 -4.900 7.754 1.00 0.00 C ATOM 630 CD PRO A 248 9.341 -3.741 7.230 1.00 0.00 C ATOM 0 HA PRO A 248 11.751 -3.873 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 248 11.814 -5.935 6.899 1.00 0.00 H new ATOM 0 HB3 PRO A 248 12.162 -4.285 7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 248 9.594 -5.835 7.653 1.00 0.00 H new ATOM 0 HG3 PRO A 248 10.367 -4.774 8.814 1.00 0.00 H new ATOM 0 HD2 PRO A 248 8.270 -3.935 7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 248 9.532 -2.830 7.797 1.00 0.00 H new ATOM 638 N GLY A 249 11.503 -5.814 3.633 1.00 0.00 N ATOM 639 CA GLY A 249 11.299 -6.909 2.703 1.00 0.00 C ATOM 640 C GLY A 249 10.677 -6.454 1.398 1.00 0.00 C ATOM 641 O GLY A 249 10.729 -7.167 0.395 1.00 0.00 O ATOM 0 H GLY A 249 12.320 -5.235 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 249 12.255 -7.390 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.658 -7.659 3.165 1.00 0.00 H new ATOM 645 N VAL A 250 10.085 -5.264 1.409 1.00 0.00 N ATOM 646 CA VAL A 250 9.450 -4.715 0.218 1.00 0.00 C ATOM 647 C VAL A 250 10.453 -3.949 -0.637 1.00 0.00 C ATOM 648 O VAL A 250 10.804 -2.808 -0.330 1.00 0.00 O ATOM 649 CB VAL A 250 8.283 -3.779 0.585 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.621 -3.232 -0.671 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.271 -4.506 1.457 1.00 0.00 C ATOM 0 H VAL A 250 10.032 -4.662 2.230 1.00 0.00 H new ATOM 0 HA VAL A 250 9.063 -5.560 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 250 8.680 -2.938 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 250 6.799 -2.573 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.353 -2.672 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.236 -4.058 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.453 -3.830 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.877 -5.367 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.756 -4.843 2.373 1.00 0.00 H new ATOM 661 N THR A 251 10.913 -4.582 -1.711 1.00 0.00 N ATOM 662 CA THR A 251 11.877 -3.960 -2.611 1.00 0.00 C ATOM 663 C THR A 251 11.354 -2.631 -3.144 1.00 0.00 C ATOM 664 O THR A 251 12.061 -1.624 -3.128 1.00 0.00 O ATOM 665 CB THR A 251 12.211 -4.881 -3.799 1.00 0.00 C ATOM 666 OG1 THR A 251 11.014 -5.221 -4.508 1.00 0.00 O ATOM 667 CG2 THR A 251 12.902 -6.150 -3.323 1.00 0.00 C ATOM 0 H THR A 251 10.634 -5.526 -1.979 1.00 0.00 H new ATOM 0 HA THR A 251 12.783 -3.784 -2.031 1.00 0.00 H new ATOM 0 HB THR A 251 12.888 -4.346 -4.465 1.00 0.00 H new ATOM 0 HG1 THR A 251 11.084 -4.911 -5.435 1.00 0.00 H new ATOM 0 HG21 THR A 251 13.128 -6.785 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.828 -5.890 -2.810 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.246 -6.686 -2.637 1.00 0.00 H new ATOM 675 N ALA A 252 10.111 -2.636 -3.614 1.00 0.00 N ATOM 676 CA ALA A 252 9.493 -1.429 -4.150 1.00 0.00 C ATOM 677 C ALA A 252 7.979 -1.585 -4.248 1.00 0.00 C ATOM 678 O ALA A 252 7.445 -2.678 -4.059 1.00 0.00 O ATOM 679 CB ALA A 252 10.081 -1.095 -5.512 1.00 0.00 C ATOM 0 H ALA A 252 9.512 -3.462 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 252 9.704 -0.608 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.610 -0.192 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.154 -0.932 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.901 -1.922 -6.199 1.00 0.00 H new ATOM 685 N ILE A 253 7.294 -0.486 -4.545 1.00 0.00 N ATOM 686 CA ILE A 253 5.841 -0.502 -4.668 1.00 0.00 C ATOM 687 C ILE A 253 5.379 0.367 -5.833 1.00 0.00 C ATOM 688 O ILE A 253 5.574 1.582 -5.827 1.00 0.00 O ATOM 689 CB ILE A 253 5.161 -0.014 -3.376 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.549 -0.912 -2.199 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.650 0.014 -3.551 1.00 0.00 C ATOM 692 CD1 ILE A 253 5.088 -0.384 -0.859 1.00 0.00 C ATOM 0 H ILE A 253 7.721 0.426 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 253 5.551 -1.536 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 253 5.502 0.999 -3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.126 -1.904 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.633 -1.027 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.183 0.361 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.391 0.690 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.292 -0.989 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.398 -1.071 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.532 0.596 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 253 4.002 -0.296 -0.857 1.00 0.00 H new ATOM 704 N GLU A 254 4.765 -0.264 -6.828 1.00 0.00 N ATOM 705 CA GLU A 254 4.273 0.454 -7.999 1.00 0.00 C ATOM 706 C GLU A 254 2.749 0.412 -8.063 1.00 0.00 C ATOM 707 O GLU A 254 2.114 -0.439 -7.439 1.00 0.00 O ATOM 708 CB GLU A 254 4.865 -0.145 -9.277 1.00 0.00 C ATOM 709 CG GLU A 254 6.280 0.325 -9.570 1.00 0.00 C ATOM 710 CD GLU A 254 6.313 1.648 -10.311 1.00 0.00 C ATOM 711 OE1 GLU A 254 5.329 2.410 -10.208 1.00 0.00 O ATOM 712 OE2 GLU A 254 7.322 1.921 -10.994 1.00 0.00 O ATOM 0 H GLU A 254 4.596 -1.270 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 254 4.587 1.494 -7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 254 4.862 -1.232 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.224 0.112 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 254 6.828 0.424 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 254 6.795 -0.432 -10.162 1.00 0.00 H new ATOM 719 N LEU A 255 2.169 1.336 -8.821 1.00 0.00 N ATOM 720 CA LEU A 255 0.720 1.406 -8.967 1.00 0.00 C ATOM 721 C LEU A 255 0.334 1.780 -10.394 1.00 0.00 C ATOM 722 O LEU A 255 1.014 2.574 -11.044 1.00 0.00 O ATOM 723 CB LEU A 255 0.137 2.425 -7.986 1.00 0.00 C ATOM 724 CG LEU A 255 -1.169 3.096 -8.412 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.333 2.125 -8.287 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.423 4.345 -7.580 1.00 0.00 C ATOM 0 H LEU A 255 2.680 2.047 -9.344 1.00 0.00 H new ATOM 0 HA LEU A 255 0.310 0.421 -8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 255 -0.029 1.926 -7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 255 0.882 3.202 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 255 -1.079 3.392 -9.457 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -3.254 2.620 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -2.155 1.260 -8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.425 1.798 -7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.357 4.810 -7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.492 4.073 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.602 5.048 -7.720 1.00 0.00 H new ATOM 738 N ASP A 256 -0.763 1.204 -10.875 1.00 0.00 N ATOM 739 CA ASP A 256 -1.241 1.479 -12.225 1.00 0.00 C ATOM 740 C ASP A 256 -2.455 2.402 -12.193 1.00 0.00 C ATOM 741 O ASP A 256 -3.438 2.127 -11.506 1.00 0.00 O ATOM 742 CB ASP A 256 -1.596 0.174 -12.939 1.00 0.00 C ATOM 743 CG ASP A 256 -0.403 -0.445 -13.640 1.00 0.00 C ATOM 744 OD1 ASP A 256 0.733 -0.260 -13.154 1.00 0.00 O ATOM 745 OD2 ASP A 256 -0.604 -1.115 -14.674 1.00 0.00 O ATOM 0 H ASP A 256 -1.337 0.544 -10.350 1.00 0.00 H new ATOM 0 HA ASP A 256 -0.442 1.978 -12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -1.997 -0.536 -12.215 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -2.384 0.365 -13.668 1.00 0.00 H new ATOM 750 N GLU A 257 -2.379 3.499 -12.941 1.00 0.00 N ATOM 751 CA GLU A 257 -3.471 4.463 -12.997 1.00 0.00 C ATOM 752 C GLU A 257 -4.349 4.221 -14.221 1.00 0.00 C ATOM 753 O GLU A 257 -5.493 4.674 -14.278 1.00 0.00 O ATOM 754 CB GLU A 257 -2.921 5.890 -13.024 1.00 0.00 C ATOM 755 CG GLU A 257 -2.441 6.384 -11.670 1.00 0.00 C ATOM 756 CD GLU A 257 -2.179 7.877 -11.652 1.00 0.00 C ATOM 757 OE1 GLU A 257 -3.157 8.650 -11.571 1.00 0.00 O ATOM 758 OE2 GLU A 257 -0.997 8.273 -11.719 1.00 0.00 O ATOM 0 H GLU A 257 -1.572 3.742 -13.516 1.00 0.00 H new ATOM 0 HA GLU A 257 -4.081 4.334 -12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -2.094 5.938 -13.733 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.696 6.562 -13.392 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -3.187 6.141 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.527 5.855 -11.398 1.00 0.00 H new ATOM 765 N ASP A 258 -3.805 3.505 -15.199 1.00 0.00 N ATOM 766 CA ASP A 258 -4.538 3.202 -16.423 1.00 0.00 C ATOM 767 C ASP A 258 -5.825 2.445 -16.113 1.00 0.00 C ATOM 768 O ASP A 258 -6.885 2.745 -16.664 1.00 0.00 O ATOM 769 CB ASP A 258 -3.666 2.382 -17.375 1.00 0.00 C ATOM 770 CG ASP A 258 -2.504 3.182 -17.930 1.00 0.00 C ATOM 771 OD1 ASP A 258 -1.478 3.302 -17.229 1.00 0.00 O ATOM 772 OD2 ASP A 258 -2.621 3.689 -19.066 1.00 0.00 O ATOM 0 H ASP A 258 -2.859 3.124 -15.168 1.00 0.00 H new ATOM 0 HA ASP A 258 -4.800 4.145 -16.903 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -3.283 1.507 -16.850 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -4.278 2.016 -18.199 1.00 0.00 H new ATOM 777 N THR A 259 -5.727 1.459 -15.226 1.00 0.00 N ATOM 778 CA THR A 259 -6.882 0.657 -14.843 1.00 0.00 C ATOM 779 C THR A 259 -7.098 0.688 -13.334 1.00 0.00 C ATOM 780 O THR A 259 -8.228 0.596 -12.857 1.00 0.00 O ATOM 781 CB THR A 259 -6.725 -0.806 -15.298 1.00 0.00 C ATOM 782 OG1 THR A 259 -5.552 -1.379 -14.709 1.00 0.00 O ATOM 783 CG2 THR A 259 -6.632 -0.895 -16.814 1.00 0.00 C ATOM 0 H THR A 259 -4.859 1.197 -14.759 1.00 0.00 H new ATOM 0 HA THR A 259 -7.749 1.094 -15.340 1.00 0.00 H new ATOM 0 HB THR A 259 -7.604 -1.361 -14.971 1.00 0.00 H new ATOM 0 HG1 THR A 259 -5.460 -2.310 -15.002 1.00 0.00 H new ATOM 0 HG21 THR A 259 -6.522 -1.938 -17.111 1.00 0.00 H new ATOM 0 HG22 THR A 259 -7.539 -0.485 -17.259 1.00 0.00 H new ATOM 0 HG23 THR A 259 -5.769 -0.326 -17.160 1.00 0.00 H new ATOM 791 N GLY A 260 -6.005 0.819 -12.587 1.00 0.00 N ATOM 792 CA GLY A 260 -6.097 0.861 -11.140 1.00 0.00 C ATOM 793 C GLY A 260 -5.652 -0.436 -10.493 1.00 0.00 C ATOM 794 O GLY A 260 -6.411 -1.064 -9.754 1.00 0.00 O ATOM 0 H GLY A 260 -5.058 0.897 -12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.484 1.680 -10.764 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -7.126 1.074 -10.850 1.00 0.00 H new ATOM 798 N THR A 261 -4.417 -0.841 -10.772 1.00 0.00 N ATOM 799 CA THR A 261 -3.872 -2.072 -10.215 1.00 0.00 C ATOM 800 C THR A 261 -2.593 -1.803 -9.431 1.00 0.00 C ATOM 801 O THR A 261 -1.606 -1.316 -9.982 1.00 0.00 O ATOM 802 CB THR A 261 -3.576 -3.106 -11.318 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.769 -3.388 -12.058 1.00 0.00 O ATOM 804 CG2 THR A 261 -3.027 -4.393 -10.721 1.00 0.00 C ATOM 0 H THR A 261 -3.775 -0.334 -11.381 1.00 0.00 H new ATOM 0 HA THR A 261 -4.629 -2.475 -9.542 1.00 0.00 H new ATOM 0 HB THR A 261 -2.825 -2.686 -11.987 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.572 -4.045 -12.758 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.826 -5.107 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 261 -2.103 -4.180 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.758 -4.815 -10.032 1.00 0.00 H new ATOM 812 N PHE A 262 -2.616 -2.122 -8.141 1.00 0.00 N ATOM 813 CA PHE A 262 -1.458 -1.914 -7.280 1.00 0.00 C ATOM 814 C PHE A 262 -0.503 -3.102 -7.356 1.00 0.00 C ATOM 815 O PHE A 262 -0.919 -4.254 -7.234 1.00 0.00 O ATOM 816 CB PHE A 262 -1.904 -1.694 -5.833 1.00 0.00 C ATOM 817 CG PHE A 262 -2.164 -0.254 -5.498 1.00 0.00 C ATOM 818 CD1 PHE A 262 -1.130 0.574 -5.090 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.442 0.274 -5.591 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.367 1.900 -4.780 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.685 1.599 -5.283 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.645 2.413 -4.878 1.00 0.00 C ATOM 0 H PHE A 262 -3.425 -2.526 -7.669 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.932 -1.025 -7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.810 -2.271 -5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -1.138 -2.082 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 262 -0.128 0.179 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.258 -0.358 -5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.553 2.534 -4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.686 1.997 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.831 3.449 -4.638 1.00 0.00 H new ATOM 832 N ARG A 263 0.778 -2.812 -7.558 1.00 0.00 N ATOM 833 CA ARG A 263 1.791 -3.856 -7.652 1.00 0.00 C ATOM 834 C ARG A 263 2.842 -3.693 -6.558 1.00 0.00 C ATOM 835 O ARG A 263 3.528 -2.673 -6.490 1.00 0.00 O ATOM 836 CB ARG A 263 2.462 -3.823 -9.027 1.00 0.00 C ATOM 837 CG ARG A 263 1.671 -4.543 -10.107 1.00 0.00 C ATOM 838 CD ARG A 263 2.363 -4.452 -11.458 1.00 0.00 C ATOM 839 NE ARG A 263 1.449 -4.734 -12.562 1.00 0.00 N ATOM 840 CZ ARG A 263 1.752 -4.526 -13.838 1.00 0.00 C ATOM 841 NH1 ARG A 263 2.938 -4.036 -14.170 1.00 0.00 N ATOM 842 NH2 ARG A 263 0.867 -4.808 -14.786 1.00 0.00 N ATOM 0 H ARG A 263 1.139 -1.863 -7.660 1.00 0.00 H new ATOM 0 HA ARG A 263 1.298 -4.819 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.608 -2.785 -9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.451 -4.275 -8.950 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.546 -5.590 -9.831 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.673 -4.110 -10.178 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.785 -3.455 -11.583 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.195 -5.156 -11.487 1.00 0.00 H new ATOM 0 HE ARG A 263 0.528 -5.111 -12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 263 3.621 -3.818 -13.444 1.00 0.00 H new ATOM 0 HH12 ARG A 263 3.168 -3.877 -15.151 1.00 0.00 H new ATOM 0 HH21 ARG A 263 -0.047 -5.185 -14.535 1.00 0.00 H new ATOM 0 HH22 ARG A 263 1.101 -4.648 -15.766 1.00 0.00 H new ATOM 856 N ILE A 264 2.962 -4.704 -5.704 1.00 0.00 N ATOM 857 CA ILE A 264 3.929 -4.673 -4.614 1.00 0.00 C ATOM 858 C ILE A 264 5.068 -5.656 -4.861 1.00 0.00 C ATOM 859 O ILE A 264 4.848 -6.769 -5.339 1.00 0.00 O ATOM 860 CB ILE A 264 3.266 -5.002 -3.264 1.00 0.00 C ATOM 861 CG1 ILE A 264 1.915 -4.293 -3.148 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.179 -4.604 -2.114 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.262 -4.455 -1.793 1.00 0.00 C ATOM 0 H ILE A 264 2.401 -5.555 -5.746 1.00 0.00 H new ATOM 0 HA ILE A 264 4.329 -3.660 -4.576 1.00 0.00 H new ATOM 0 HB ILE A 264 3.097 -6.078 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.052 -3.231 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.244 -4.680 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.696 -4.843 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.119 -5.150 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.377 -3.533 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.309 -3.927 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 264 1.092 -5.513 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.914 -4.042 -1.023 1.00 0.00 H new ATOM 875 N TYR A 265 6.285 -5.237 -4.532 1.00 0.00 N ATOM 876 CA TYR A 265 7.460 -6.080 -4.719 1.00 0.00 C ATOM 877 C TYR A 265 8.163 -6.337 -3.390 1.00 0.00 C ATOM 878 O TYR A 265 8.678 -5.416 -2.758 1.00 0.00 O ATOM 879 CB TYR A 265 8.431 -5.427 -5.704 1.00 0.00 C ATOM 880 CG TYR A 265 7.822 -5.151 -7.060 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.840 -6.114 -8.061 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.229 -3.926 -7.341 1.00 0.00 C ATOM 883 CE1 TYR A 265 7.286 -5.865 -9.302 1.00 0.00 C ATOM 884 CE2 TYR A 265 6.672 -3.669 -8.578 1.00 0.00 C ATOM 885 CZ TYR A 265 6.703 -4.641 -9.556 1.00 0.00 C ATOM 886 OH TYR A 265 6.149 -4.390 -10.790 1.00 0.00 O ATOM 0 H TYR A 265 6.484 -4.319 -4.135 1.00 0.00 H new ATOM 0 HA TYR A 265 7.129 -7.036 -5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.791 -4.490 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.299 -6.075 -5.830 1.00 0.00 H new ATOM 0 HD1 TYR A 265 8.295 -7.074 -7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 265 7.203 -3.162 -6.578 1.00 0.00 H new ATOM 0 HE1 TYR A 265 7.309 -6.625 -10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 265 6.214 -2.712 -8.779 1.00 0.00 H new ATOM 0 HH TYR A 265 5.779 -3.482 -10.804 1.00 0.00 H new ATOM 896 N GLY A 266 8.180 -7.600 -2.971 1.00 0.00 N ATOM 897 CA GLY A 266 8.822 -7.957 -1.720 1.00 0.00 C ATOM 898 C GLY A 266 9.585 -9.264 -1.813 1.00 0.00 C ATOM 899 O GLY A 266 9.106 -10.228 -2.409 1.00 0.00 O ATOM 0 H GLY A 266 7.761 -8.381 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.506 -7.161 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 266 8.068 -8.035 -0.937 1.00 0.00 H new ATOM 903 N GLU A 267 10.776 -9.296 -1.222 1.00 0.00 N ATOM 904 CA GLU A 267 11.607 -10.494 -1.244 1.00 0.00 C ATOM 905 C GLU A 267 10.858 -11.686 -0.654 1.00 0.00 C ATOM 906 O GLU A 267 11.100 -12.832 -1.031 1.00 0.00 O ATOM 907 CB GLU A 267 12.903 -10.256 -0.467 1.00 0.00 C ATOM 908 CG GLU A 267 13.936 -9.450 -1.238 1.00 0.00 C ATOM 909 CD GLU A 267 15.220 -9.249 -0.457 1.00 0.00 C ATOM 910 OE1 GLU A 267 15.309 -8.253 0.291 1.00 0.00 O ATOM 911 OE2 GLU A 267 16.136 -10.087 -0.595 1.00 0.00 O ATOM 0 H GLU A 267 11.186 -8.507 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 267 11.851 -10.718 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.669 -9.737 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 267 13.335 -11.219 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 267 14.161 -9.958 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.515 -8.478 -1.495 1.00 0.00 H new ATOM 918 N SER A 268 9.950 -11.405 0.275 1.00 0.00 N ATOM 919 CA SER A 268 9.169 -12.454 0.921 1.00 0.00 C ATOM 920 C SER A 268 7.696 -12.065 0.997 1.00 0.00 C ATOM 921 O SER A 268 7.360 -10.916 1.284 1.00 0.00 O ATOM 922 CB SER A 268 9.709 -12.728 2.326 1.00 0.00 C ATOM 923 OG SER A 268 9.492 -14.078 2.701 1.00 0.00 O ATOM 0 H SER A 268 9.737 -10.461 0.597 1.00 0.00 H new ATOM 0 HA SER A 268 9.257 -13.360 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 268 10.775 -12.505 2.359 1.00 0.00 H new ATOM 0 HB3 SER A 268 9.222 -12.066 3.042 1.00 0.00 H new ATOM 0 HG SER A 268 9.847 -14.228 3.602 1.00 0.00 H new ATOM 929 N ALA A 269 6.821 -13.031 0.739 1.00 0.00 N ATOM 930 CA ALA A 269 5.384 -12.792 0.779 1.00 0.00 C ATOM 931 C ALA A 269 4.987 -12.048 2.050 1.00 0.00 C ATOM 932 O ALA A 269 4.018 -11.288 2.059 1.00 0.00 O ATOM 933 CB ALA A 269 4.627 -14.108 0.678 1.00 0.00 C ATOM 0 H ALA A 269 7.083 -13.987 0.500 1.00 0.00 H new ATOM 0 HA ALA A 269 5.120 -12.167 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.555 -13.914 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.879 -14.602 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.904 -14.752 1.513 1.00 0.00 H new ATOM 939 N ASP A 270 5.740 -12.272 3.121 1.00 0.00 N ATOM 940 CA ASP A 270 5.467 -11.622 4.397 1.00 0.00 C ATOM 941 C ASP A 270 5.533 -10.104 4.259 1.00 0.00 C ATOM 942 O ASP A 270 4.715 -9.383 4.830 1.00 0.00 O ATOM 943 CB ASP A 270 6.464 -12.093 5.458 1.00 0.00 C ATOM 944 CG ASP A 270 6.281 -11.379 6.782 1.00 0.00 C ATOM 945 OD1 ASP A 270 5.405 -11.800 7.566 1.00 0.00 O ATOM 946 OD2 ASP A 270 7.013 -10.399 7.035 1.00 0.00 O ATOM 0 H ASP A 270 6.544 -12.899 3.131 1.00 0.00 H new ATOM 0 HA ASP A 270 4.459 -11.898 4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 270 6.350 -13.166 5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 270 7.479 -11.928 5.097 1.00 0.00 H new ATOM 951 N ALA A 271 6.512 -9.626 3.499 1.00 0.00 N ATOM 952 CA ALA A 271 6.684 -8.194 3.285 1.00 0.00 C ATOM 953 C ALA A 271 5.539 -7.621 2.457 1.00 0.00 C ATOM 954 O ALA A 271 4.737 -6.830 2.953 1.00 0.00 O ATOM 955 CB ALA A 271 8.018 -7.918 2.607 1.00 0.00 C ATOM 0 H ALA A 271 7.199 -10.209 3.021 1.00 0.00 H new ATOM 0 HA ALA A 271 6.675 -7.703 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 271 8.133 -6.845 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.829 -8.283 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 271 8.049 -8.428 1.644 1.00 0.00 H new ATOM 961 N VAL A 272 5.469 -8.025 1.193 1.00 0.00 N ATOM 962 CA VAL A 272 4.422 -7.552 0.296 1.00 0.00 C ATOM 963 C VAL A 272 3.051 -7.636 0.959 1.00 0.00 C ATOM 964 O VAL A 272 2.209 -6.756 0.783 1.00 0.00 O ATOM 965 CB VAL A 272 4.396 -8.361 -1.014 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.365 -7.769 -2.027 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.723 -9.822 -0.744 1.00 0.00 C ATOM 0 H VAL A 272 6.125 -8.679 0.767 1.00 0.00 H new ATOM 0 HA VAL A 272 4.649 -6.511 0.067 1.00 0.00 H new ATOM 0 HB VAL A 272 3.391 -8.308 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.333 -8.354 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.082 -6.739 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.376 -7.790 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.700 -10.379 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.716 -9.897 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.987 -10.238 -0.056 1.00 0.00 H new ATOM 977 N LYS A 273 2.834 -8.701 1.723 1.00 0.00 N ATOM 978 CA LYS A 273 1.567 -8.901 2.415 1.00 0.00 C ATOM 979 C LYS A 273 1.333 -7.805 3.450 1.00 0.00 C ATOM 980 O LYS A 273 0.302 -7.132 3.434 1.00 0.00 O ATOM 981 CB LYS A 273 1.545 -10.272 3.096 1.00 0.00 C ATOM 982 CG LYS A 273 1.195 -11.412 2.155 1.00 0.00 C ATOM 983 CD LYS A 273 1.206 -12.751 2.873 1.00 0.00 C ATOM 984 CE LYS A 273 0.850 -13.891 1.932 1.00 0.00 C ATOM 985 NZ LYS A 273 -0.613 -13.953 1.663 1.00 0.00 N ATOM 0 H LYS A 273 3.520 -9.440 1.879 1.00 0.00 H new ATOM 0 HA LYS A 273 0.767 -8.856 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.522 -10.464 3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.823 -10.251 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 273 0.210 -11.238 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.906 -11.435 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 273 2.192 -12.927 3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 273 0.498 -12.727 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 273 1.387 -13.767 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 273 1.180 -14.835 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -0.814 -14.743 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -1.125 -14.097 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -0.924 -13.062 1.226 1.00 0.00 H new ATOM 999 N LYS A 274 2.296 -7.629 4.348 1.00 0.00 N ATOM 1000 CA LYS A 274 2.197 -6.613 5.388 1.00 0.00 C ATOM 1001 C LYS A 274 2.013 -5.227 4.779 1.00 0.00 C ATOM 1002 O LYS A 274 1.242 -4.413 5.287 1.00 0.00 O ATOM 1003 CB LYS A 274 3.449 -6.632 6.269 1.00 0.00 C ATOM 1004 CG LYS A 274 3.196 -6.174 7.695 1.00 0.00 C ATOM 1005 CD LYS A 274 4.436 -5.546 8.308 1.00 0.00 C ATOM 1006 CE LYS A 274 5.335 -6.595 8.945 1.00 0.00 C ATOM 1007 NZ LYS A 274 6.036 -7.420 7.922 1.00 0.00 N ATOM 0 H LYS A 274 3.155 -8.178 4.376 1.00 0.00 H new ATOM 0 HA LYS A 274 1.325 -6.840 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.855 -7.644 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 274 4.209 -5.992 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.378 -5.453 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 274 2.880 -7.024 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.991 -5.008 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.141 -4.814 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 274 6.071 -6.104 9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 274 4.739 -7.243 9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 6.929 -7.778 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 5.432 -8.222 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 6.237 -6.837 7.084 1.00 0.00 H new ATOM 1021 N ALA A 275 2.724 -4.966 3.687 1.00 0.00 N ATOM 1022 CA ALA A 275 2.636 -3.679 3.007 1.00 0.00 C ATOM 1023 C ALA A 275 1.295 -3.525 2.297 1.00 0.00 C ATOM 1024 O ALA A 275 0.736 -2.430 2.238 1.00 0.00 O ATOM 1025 CB ALA A 275 3.781 -3.526 2.017 1.00 0.00 C ATOM 0 H ALA A 275 3.367 -5.629 3.254 1.00 0.00 H new ATOM 0 HA ALA A 275 2.713 -2.892 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.703 -2.561 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.731 -3.584 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.730 -4.324 1.276 1.00 0.00 H new ATOM 1031 N ARG A 276 0.785 -4.628 1.759 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.489 -4.614 1.051 1.00 0.00 C ATOM 1033 C ARG A 276 -1.613 -4.133 1.964 1.00 0.00 C ATOM 1034 O ARG A 276 -2.536 -3.451 1.522 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.814 -6.010 0.515 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.278 -6.197 0.152 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.601 -7.657 -0.124 1.00 0.00 C ATOM 1038 NE ARG A 276 -4.009 -7.851 -0.464 1.00 0.00 N ATOM 1039 CZ ARG A 276 -4.547 -9.039 -0.715 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -3.799 -10.133 -0.665 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -5.835 -9.135 -1.017 1.00 0.00 N ATOM 0 H ARG A 276 1.235 -5.543 1.800 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.403 -3.922 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 276 -0.202 -6.203 -0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.537 -6.751 1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -2.905 -5.832 0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.515 -5.598 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -1.977 -8.018 -0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -2.354 -8.255 0.753 1.00 0.00 H new ATOM 0 HE ARG A 276 -4.611 -7.029 -0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -2.808 -10.063 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -4.215 -11.044 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -6.413 -8.296 -1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -6.247 -10.048 -1.210 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.528 -4.496 3.240 1.00 0.00 N ATOM 1056 CA GLY A 277 -2.544 -4.093 4.195 1.00 0.00 C ATOM 1057 C GLY A 277 -2.663 -2.587 4.314 1.00 0.00 C ATOM 1058 O GLY A 277 -3.582 -2.079 4.957 1.00 0.00 O ATOM 0 H GLY A 277 -0.774 -5.062 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.506 -4.508 3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.307 -4.514 5.172 1.00 0.00 H new ATOM 1062 N PHE A 278 -1.731 -1.870 3.695 1.00 0.00 N ATOM 1063 CA PHE A 278 -1.734 -0.413 3.737 1.00 0.00 C ATOM 1064 C PHE A 278 -2.353 0.167 2.469 1.00 0.00 C ATOM 1065 O PHE A 278 -2.860 1.290 2.468 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.309 0.117 3.911 1.00 0.00 C ATOM 1067 CG PHE A 278 0.217 -0.024 5.311 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -0.434 0.582 6.373 1.00 0.00 C ATOM 1069 CD2 PHE A 278 1.362 -0.762 5.564 1.00 0.00 C ATOM 1070 CE1 PHE A 278 0.048 0.455 7.662 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.848 -0.893 6.851 1.00 0.00 C ATOM 1072 CZ PHE A 278 1.190 -0.284 7.902 1.00 0.00 C ATOM 0 H PHE A 278 -0.964 -2.275 3.158 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.337 -0.101 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 278 0.353 -0.414 3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.284 1.169 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.328 1.160 6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.881 -1.240 4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -0.468 0.933 8.481 1.00 0.00 H new ATOM 0 HE2 PHE A 278 2.742 -1.471 7.035 1.00 0.00 H new ATOM 0 HZ PHE A 278 1.568 -0.385 8.909 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.308 -0.606 1.389 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.863 -0.171 0.113 1.00 0.00 C ATOM 1084 C LEU A 279 -4.249 -0.768 -0.110 1.00 0.00 C ATOM 1085 O LEU A 279 -4.872 -0.545 -1.147 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.933 -0.571 -1.034 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.624 0.211 -1.140 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.280 -0.403 -2.198 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.900 1.674 -1.456 1.00 0.00 C ATOM 0 H LEU A 279 -1.893 -1.537 1.372 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.954 0.915 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.693 -1.629 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.477 -0.459 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 279 -0.113 0.158 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.207 0.167 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.505 -1.435 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -0.224 -0.381 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.044 2.215 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -1.433 1.747 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -1.508 2.109 -0.663 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.727 -1.525 0.873 1.00 0.00 N ATOM 1102 CA GLU A 280 -6.040 -2.152 0.784 1.00 0.00 C ATOM 1103 C GLU A 280 -7.120 -1.114 0.490 1.00 0.00 C ATOM 1104 O GLU A 280 -7.045 0.025 0.952 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.367 -2.889 2.085 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.674 -4.235 2.212 1.00 0.00 C ATOM 1107 CD GLU A 280 -5.870 -4.865 3.577 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -5.931 -4.116 4.574 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -5.963 -6.109 3.648 1.00 0.00 O ATOM 0 H GLU A 280 -4.225 -1.719 1.739 1.00 0.00 H new ATOM 0 HA GLU A 280 -6.017 -2.870 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -6.082 -2.262 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.445 -3.037 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -6.056 -4.910 1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -4.608 -4.110 2.023 1.00 0.00 H new