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 -170:sc= 0.296 USER MOD Set 1.2: A 261 THR OG1 : rot 82:sc= -1.24! USER MOD Set 2.1: A 239 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 243 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 220 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.011) USER MOD Single : A 230 MET CE :methyl -155:sc= -3.21! (180deg=-4.66!) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.13) USER MOD Single : A 240 ASN : amide:sc= -3.4! C(o=-3.4!,f=-7.1!) USER MOD Single : A 242 GLN : amide:sc=-0.00153 K(o=-0.0015,f=-1.2) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 THR OG1 : rot 133:sc= -1.42 USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot 33:sc= 0.124 USER MOD Single : A 273 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.245) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 12.539 -8.948 -6.265 1.00 0.00 N ATOM 149 CA ALA A 217 11.715 -9.537 -5.217 1.00 0.00 C ATOM 150 C ALA A 217 11.210 -10.917 -5.626 1.00 0.00 C ATOM 151 O ALA A 217 10.787 -11.121 -6.763 1.00 0.00 O ATOM 152 CB ALA A 217 10.545 -8.621 -4.889 1.00 0.00 C ATOM 0 HA ALA A 217 12.332 -9.654 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.938 -9.073 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.922 -7.658 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.936 -8.475 -5.781 1.00 0.00 H new ATOM 158 N ALA A 218 11.258 -11.860 -4.691 1.00 0.00 N ATOM 159 CA ALA A 218 10.804 -13.220 -4.955 1.00 0.00 C ATOM 160 C ALA A 218 9.283 -13.286 -5.032 1.00 0.00 C ATOM 161 O ALA A 218 8.724 -13.972 -5.889 1.00 0.00 O ATOM 162 CB ALA A 218 11.321 -14.166 -3.881 1.00 0.00 C ATOM 0 H ALA A 218 11.606 -11.707 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 218 11.204 -13.529 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.975 -15.178 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.411 -14.149 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.948 -13.849 -2.907 1.00 0.00 H new ATOM 168 N PHE A 219 8.617 -12.569 -4.133 1.00 0.00 N ATOM 169 CA PHE A 219 7.160 -12.547 -4.099 1.00 0.00 C ATOM 170 C PHE A 219 6.624 -11.205 -4.590 1.00 0.00 C ATOM 171 O PHE A 219 7.090 -10.146 -4.168 1.00 0.00 O ATOM 172 CB PHE A 219 6.657 -12.821 -2.680 1.00 0.00 C ATOM 173 CG PHE A 219 6.766 -14.263 -2.274 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.916 -14.741 -1.665 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.718 -15.141 -2.500 1.00 0.00 C ATOM 176 CE1 PHE A 219 8.018 -16.067 -1.291 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.815 -16.469 -2.127 1.00 0.00 C ATOM 178 CZ PHE A 219 6.966 -16.932 -1.521 1.00 0.00 C ATOM 0 H PHE A 219 9.064 -11.995 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 219 6.795 -13.330 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 219 7.224 -12.210 -1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.615 -12.508 -2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.741 -14.069 -1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.815 -14.784 -2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 219 8.920 -16.427 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 219 4.991 -17.143 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 219 7.044 -17.968 -1.227 1.00 0.00 H new ATOM 188 N HIS A 220 5.643 -11.258 -5.485 1.00 0.00 N ATOM 189 CA HIS A 220 5.043 -10.048 -6.034 1.00 0.00 C ATOM 190 C HIS A 220 3.527 -10.065 -5.859 1.00 0.00 C ATOM 191 O HIS A 220 2.898 -11.120 -5.924 1.00 0.00 O ATOM 192 CB HIS A 220 5.395 -9.905 -7.515 1.00 0.00 C ATOM 193 CG HIS A 220 4.945 -11.063 -8.352 1.00 0.00 C ATOM 194 ND1 HIS A 220 5.814 -12.001 -8.869 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.709 -11.433 -8.760 1.00 0.00 C ATOM 196 CE1 HIS A 220 5.132 -12.896 -9.560 1.00 0.00 C ATOM 197 NE2 HIS A 220 3.852 -12.575 -9.509 1.00 0.00 N ATOM 0 H HIS A 220 5.247 -12.126 -5.845 1.00 0.00 H new ATOM 0 HA HIS A 220 5.445 -9.194 -5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.943 -8.991 -7.901 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.475 -9.793 -7.614 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.782 -10.925 -8.538 1.00 0.00 H new ATOM 0 HE1 HIS A 220 5.550 -13.746 -10.079 1.00 0.00 H new ATOM 0 HE2 HIS A 220 3.093 -13.091 -9.954 1.00 0.00 H new ATOM 205 N GLU A 221 2.949 -8.889 -5.636 1.00 0.00 N ATOM 206 CA GLU A 221 1.507 -8.770 -5.450 1.00 0.00 C ATOM 207 C GLU A 221 0.892 -7.877 -6.523 1.00 0.00 C ATOM 208 O GLU A 221 1.444 -6.833 -6.867 1.00 0.00 O ATOM 209 CB GLU A 221 1.194 -8.208 -4.062 1.00 0.00 C ATOM 210 CG GLU A 221 1.263 -9.247 -2.955 1.00 0.00 C ATOM 211 CD GLU A 221 0.185 -10.306 -3.080 1.00 0.00 C ATOM 212 OE1 GLU A 221 -1.003 -9.935 -3.183 1.00 0.00 O ATOM 213 OE2 GLU A 221 0.530 -11.506 -3.076 1.00 0.00 O ATOM 0 H GLU A 221 3.456 -8.006 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 221 1.072 -9.766 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.895 -7.404 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 221 0.197 -7.768 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 221 2.242 -9.727 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 221 1.169 -8.750 -1.989 1.00 0.00 H new ATOM 220 N GLU A 222 -0.255 -8.296 -7.048 1.00 0.00 N ATOM 221 CA GLU A 222 -0.945 -7.535 -8.083 1.00 0.00 C ATOM 222 C GLU A 222 -2.458 -7.620 -7.904 1.00 0.00 C ATOM 223 O GLU A 222 -3.057 -8.680 -8.082 1.00 0.00 O ATOM 224 CB GLU A 222 -0.555 -8.049 -9.471 1.00 0.00 C ATOM 225 CG GLU A 222 -1.382 -7.450 -10.596 1.00 0.00 C ATOM 226 CD GLU A 222 -2.758 -8.078 -10.707 1.00 0.00 C ATOM 227 OE1 GLU A 222 -2.879 -9.292 -10.443 1.00 0.00 O ATOM 228 OE2 GLU A 222 -3.713 -7.354 -11.059 1.00 0.00 O ATOM 0 H GLU A 222 -0.726 -9.158 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.644 -6.491 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 222 0.498 -7.829 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -0.662 -9.134 -9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -1.488 -6.378 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -0.851 -7.577 -11.540 1.00 0.00 H new ATOM 235 N PHE A 223 -3.070 -6.494 -7.550 1.00 0.00 N ATOM 236 CA PHE A 223 -4.513 -6.440 -7.345 1.00 0.00 C ATOM 237 C PHE A 223 -5.089 -5.132 -7.878 1.00 0.00 C ATOM 238 O PHE A 223 -4.415 -4.102 -7.889 1.00 0.00 O ATOM 239 CB PHE A 223 -4.843 -6.588 -5.858 1.00 0.00 C ATOM 240 CG PHE A 223 -4.062 -5.658 -4.975 1.00 0.00 C ATOM 241 CD1 PHE A 223 -4.551 -4.399 -4.668 1.00 0.00 C ATOM 242 CD2 PHE A 223 -2.839 -6.044 -4.450 1.00 0.00 C ATOM 243 CE1 PHE A 223 -3.834 -3.541 -3.856 1.00 0.00 C ATOM 244 CE2 PHE A 223 -2.117 -5.191 -3.637 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.616 -3.938 -3.339 1.00 0.00 C ATOM 0 H PHE A 223 -2.589 -5.607 -7.399 1.00 0.00 H new ATOM 0 HA PHE A 223 -4.965 -7.266 -7.895 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -5.908 -6.407 -5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.649 -7.616 -5.552 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -5.504 -4.084 -5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -2.445 -7.023 -4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -4.225 -2.561 -3.626 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -1.164 -5.504 -3.235 1.00 0.00 H new ATOM 0 HZ PHE A 223 -2.055 -3.270 -2.703 1.00 0.00 H new ATOM 255 N VAL A 224 -6.342 -5.181 -8.321 1.00 0.00 N ATOM 256 CA VAL A 224 -7.011 -4.001 -8.855 1.00 0.00 C ATOM 257 C VAL A 224 -7.865 -3.324 -7.789 1.00 0.00 C ATOM 258 O VAL A 224 -8.635 -3.979 -7.086 1.00 0.00 O ATOM 259 CB VAL A 224 -7.901 -4.358 -10.060 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.532 -3.105 -10.648 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.097 -5.104 -11.114 1.00 0.00 C ATOM 0 H VAL A 224 -6.914 -6.026 -8.320 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.230 -3.314 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.702 -5.012 -9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.157 -3.377 -11.498 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.143 -2.615 -9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.748 -2.423 -10.978 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.742 -5.348 -11.958 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.274 -4.476 -11.456 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.698 -6.023 -10.684 1.00 0.00 H new ATOM 271 N VAL A 225 -7.724 -2.007 -7.675 1.00 0.00 N ATOM 272 CA VAL A 225 -8.483 -1.239 -6.695 1.00 0.00 C ATOM 273 C VAL A 225 -9.462 -0.292 -7.379 1.00 0.00 C ATOM 274 O VAL A 225 -9.125 0.357 -8.369 1.00 0.00 O ATOM 275 CB VAL A 225 -7.553 -0.424 -5.777 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.366 0.400 -4.790 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.586 -1.343 -5.048 1.00 0.00 C ATOM 0 H VAL A 225 -7.091 -1.450 -8.249 1.00 0.00 H new ATOM 0 HA VAL A 225 -9.038 -1.957 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.971 0.262 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.692 0.969 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -9.014 1.086 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -8.975 -0.264 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -5.936 -0.750 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.147 -2.054 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.980 -1.884 -5.775 1.00 0.00 H new ATOM 287 N ARG A 226 -10.677 -0.217 -6.845 1.00 0.00 N ATOM 288 CA ARG A 226 -11.706 0.651 -7.404 1.00 0.00 C ATOM 289 C ARG A 226 -11.197 2.084 -7.533 1.00 0.00 C ATOM 290 O ARG A 226 -10.789 2.698 -6.548 1.00 0.00 O ATOM 291 CB ARG A 226 -12.960 0.620 -6.529 1.00 0.00 C ATOM 292 CG ARG A 226 -13.952 -0.462 -6.923 1.00 0.00 C ATOM 293 CD ARG A 226 -14.867 -0.828 -5.765 1.00 0.00 C ATOM 294 NE ARG A 226 -15.689 0.302 -5.339 1.00 0.00 N ATOM 295 CZ ARG A 226 -16.481 0.274 -4.273 1.00 0.00 C ATOM 296 NH1 ARG A 226 -16.557 -0.820 -3.528 1.00 0.00 N ATOM 297 NH2 ARG A 226 -17.199 1.342 -3.950 1.00 0.00 N ATOM 0 H ARG A 226 -10.973 -0.747 -6.025 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.957 0.282 -8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.664 0.469 -5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.454 1.590 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -14.551 -0.118 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -13.412 -1.348 -7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -15.513 -1.655 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -14.267 -1.177 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 226 -15.653 1.159 -5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -16.006 -1.643 -3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -17.166 -0.839 -2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -17.143 2.186 -4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -17.807 1.319 -3.131 1.00 0.00 H new ATOM 311 N GLU A 227 -11.225 2.609 -8.754 1.00 0.00 N ATOM 312 CA GLU A 227 -10.766 3.969 -9.011 1.00 0.00 C ATOM 313 C GLU A 227 -11.398 4.951 -8.029 1.00 0.00 C ATOM 314 O GLU A 227 -10.890 6.054 -7.824 1.00 0.00 O ATOM 315 CB GLU A 227 -11.099 4.380 -10.447 1.00 0.00 C ATOM 316 CG GLU A 227 -10.170 3.773 -11.485 1.00 0.00 C ATOM 317 CD GLU A 227 -10.791 3.728 -12.868 1.00 0.00 C ATOM 318 OE1 GLU A 227 -11.950 3.276 -12.984 1.00 0.00 O ATOM 319 OE2 GLU A 227 -10.118 4.144 -13.834 1.00 0.00 O ATOM 0 H GLU A 227 -11.560 2.114 -9.580 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.685 3.992 -8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -12.124 4.085 -10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -11.056 5.466 -10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -9.247 4.352 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -9.900 2.762 -11.179 1.00 0.00 H new ATOM 326 N ASP A 228 -12.508 4.543 -7.426 1.00 0.00 N ATOM 327 CA ASP A 228 -13.210 5.386 -6.465 1.00 0.00 C ATOM 328 C ASP A 228 -12.630 5.214 -5.065 1.00 0.00 C ATOM 329 O ASP A 228 -12.510 6.178 -4.307 1.00 0.00 O ATOM 330 CB ASP A 228 -14.703 5.052 -6.456 1.00 0.00 C ATOM 331 CG ASP A 228 -15.452 5.777 -5.355 1.00 0.00 C ATOM 332 OD1 ASP A 228 -15.246 5.434 -4.172 1.00 0.00 O ATOM 333 OD2 ASP A 228 -16.244 6.688 -5.677 1.00 0.00 O ATOM 0 H ASP A 228 -12.942 3.634 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 228 -13.079 6.425 -6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -15.137 5.315 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -14.831 3.977 -6.331 1.00 0.00 H new ATOM 338 N LEU A 229 -12.271 3.980 -4.726 1.00 0.00 N ATOM 339 CA LEU A 229 -11.704 3.680 -3.416 1.00 0.00 C ATOM 340 C LEU A 229 -10.224 4.048 -3.367 1.00 0.00 C ATOM 341 O LEU A 229 -9.677 4.317 -2.298 1.00 0.00 O ATOM 342 CB LEU A 229 -11.883 2.197 -3.088 1.00 0.00 C ATOM 343 CG LEU A 229 -13.278 1.777 -2.621 1.00 0.00 C ATOM 344 CD1 LEU A 229 -13.343 0.271 -2.422 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.652 2.503 -1.337 1.00 0.00 C ATOM 0 H LEU A 229 -12.363 3.171 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 229 -12.233 4.276 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -11.628 1.616 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -11.166 1.928 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.997 2.052 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -14.343 -0.009 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -13.120 -0.230 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.613 -0.028 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.647 2.192 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.930 2.259 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.647 3.579 -1.513 1.00 0.00 H new ATOM 357 N MET A 230 -9.583 4.059 -4.531 1.00 0.00 N ATOM 358 CA MET A 230 -8.168 4.398 -4.620 1.00 0.00 C ATOM 359 C MET A 230 -7.854 5.643 -3.798 1.00 0.00 C ATOM 360 O MET A 230 -7.029 5.605 -2.886 1.00 0.00 O ATOM 361 CB MET A 230 -7.766 4.621 -6.079 1.00 0.00 C ATOM 362 CG MET A 230 -7.616 3.332 -6.872 1.00 0.00 C ATOM 363 SD MET A 230 -7.117 3.622 -8.580 1.00 0.00 S ATOM 364 CE MET A 230 -5.415 3.064 -8.535 1.00 0.00 C ATOM 0 H MET A 230 -10.021 3.837 -5.425 1.00 0.00 H new ATOM 0 HA MET A 230 -7.594 3.564 -4.216 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.514 5.250 -6.561 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.823 5.168 -6.108 1.00 0.00 H new ATOM 0 HG2 MET A 230 -6.878 2.694 -6.385 1.00 0.00 H new ATOM 0 HG3 MET A 230 -8.562 2.791 -6.861 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.848 3.560 -9.323 1.00 0.00 H new ATOM 0 HE2 MET A 230 -4.978 3.306 -7.566 1.00 0.00 H new ATOM 0 HE3 MET A 230 -5.382 1.985 -8.688 1.00 0.00 H new ATOM 374 N GLY A 231 -8.517 6.748 -4.127 1.00 0.00 N ATOM 375 CA GLY A 231 -8.294 7.989 -3.410 1.00 0.00 C ATOM 376 C GLY A 231 -8.133 7.775 -1.918 1.00 0.00 C ATOM 377 O GLY A 231 -7.161 8.238 -1.318 1.00 0.00 O ATOM 0 H GLY A 231 -9.205 6.805 -4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -7.402 8.477 -3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -9.131 8.664 -3.589 1.00 0.00 H new ATOM 381 N LEU A 232 -9.088 7.075 -1.316 1.00 0.00 N ATOM 382 CA LEU A 232 -9.049 6.802 0.117 1.00 0.00 C ATOM 383 C LEU A 232 -7.901 5.859 0.460 1.00 0.00 C ATOM 384 O LEU A 232 -7.104 6.135 1.357 1.00 0.00 O ATOM 385 CB LEU A 232 -10.376 6.197 0.577 1.00 0.00 C ATOM 386 CG LEU A 232 -11.617 7.069 0.376 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.878 6.220 0.418 1.00 0.00 C ATOM 388 CD2 LEU A 232 -11.674 8.166 1.429 1.00 0.00 C ATOM 0 H LEU A 232 -9.899 6.686 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.887 7.746 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.527 5.257 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -10.294 5.955 1.637 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.553 7.539 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.751 6.857 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.840 5.472 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.949 5.722 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -12.563 8.776 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -11.715 7.716 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.785 8.792 1.351 1.00 0.00 H new ATOM 400 N ALA A 233 -7.822 4.744 -0.260 1.00 0.00 N ATOM 401 CA ALA A 233 -6.769 3.762 -0.034 1.00 0.00 C ATOM 402 C ALA A 233 -5.402 4.433 0.057 1.00 0.00 C ATOM 403 O ALA A 233 -4.610 4.129 0.949 1.00 0.00 O ATOM 404 CB ALA A 233 -6.774 2.719 -1.142 1.00 0.00 C ATOM 0 H ALA A 233 -8.475 4.499 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.966 3.267 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.983 1.992 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.738 2.210 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.605 3.207 -2.102 1.00 0.00 H new ATOM 410 N ILE A 234 -5.133 5.345 -0.871 1.00 0.00 N ATOM 411 CA ILE A 234 -3.862 6.059 -0.894 1.00 0.00 C ATOM 412 C ILE A 234 -3.754 7.027 0.279 1.00 0.00 C ATOM 413 O ILE A 234 -2.698 7.156 0.896 1.00 0.00 O ATOM 414 CB ILE A 234 -3.679 6.840 -2.209 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.749 5.889 -3.406 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.357 7.592 -2.198 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.524 6.575 -4.735 1.00 0.00 C ATOM 0 H ILE A 234 -5.778 5.607 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 234 -3.076 5.308 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.487 7.567 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -3.003 5.104 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.725 5.403 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -2.242 8.139 -3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -2.344 8.293 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.536 6.883 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.588 5.841 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -4.285 7.341 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.537 7.038 -4.743 1.00 0.00 H new ATOM 429 N GLY A 235 -4.856 7.707 0.582 1.00 0.00 N ATOM 430 CA GLY A 235 -4.865 8.654 1.681 1.00 0.00 C ATOM 431 C GLY A 235 -4.764 10.091 1.209 1.00 0.00 C ATOM 432 O GLY A 235 -5.316 10.452 0.169 1.00 0.00 O ATOM 0 H GLY A 235 -5.743 7.619 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.781 8.528 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -4.034 8.436 2.351 1.00 0.00 H new ATOM 436 N THR A 236 -4.057 10.916 1.976 1.00 0.00 N ATOM 437 CA THR A 236 -3.887 12.322 1.633 1.00 0.00 C ATOM 438 C THR A 236 -2.426 12.643 1.338 1.00 0.00 C ATOM 439 O THR A 236 -1.574 12.574 2.225 1.00 0.00 O ATOM 440 CB THR A 236 -4.386 13.241 2.764 1.00 0.00 C ATOM 441 OG1 THR A 236 -4.260 14.612 2.372 1.00 0.00 O ATOM 442 CG2 THR A 236 -3.599 12.999 4.043 1.00 0.00 C ATOM 0 H THR A 236 -3.593 10.634 2.839 1.00 0.00 H new ATOM 0 HA THR A 236 -4.483 12.504 0.739 1.00 0.00 H new ATOM 0 HB THR A 236 -5.435 13.013 2.953 1.00 0.00 H new ATOM 0 HG1 THR A 236 -4.581 15.190 3.096 1.00 0.00 H new ATOM 0 HG21 THR A 236 -3.969 13.659 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 236 -3.720 11.961 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 236 -2.543 13.203 3.865 1.00 0.00 H new ATOM 450 N HIS A 237 -2.143 12.997 0.089 1.00 0.00 N ATOM 451 CA HIS A 237 -0.784 13.331 -0.322 1.00 0.00 C ATOM 452 C HIS A 237 0.106 12.091 -0.316 1.00 0.00 C ATOM 453 O HIS A 237 1.270 12.152 0.075 1.00 0.00 O ATOM 454 CB HIS A 237 -0.197 14.398 0.603 1.00 0.00 C ATOM 455 CG HIS A 237 1.015 15.076 0.041 1.00 0.00 C ATOM 456 ND1 HIS A 237 2.184 15.240 0.754 1.00 0.00 N ATOM 457 CD2 HIS A 237 1.235 15.632 -1.173 1.00 0.00 C ATOM 458 CE1 HIS A 237 3.070 15.869 0.004 1.00 0.00 C ATOM 459 NE2 HIS A 237 2.520 16.118 -1.171 1.00 0.00 N ATOM 0 H HIS A 237 -2.836 13.060 -0.656 1.00 0.00 H new ATOM 0 HA HIS A 237 -0.824 13.723 -1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 237 -0.960 15.148 0.809 1.00 0.00 H new ATOM 0 HB3 HIS A 237 0.063 13.938 1.556 1.00 0.00 H new ATOM 0 HD2 HIS A 237 0.532 15.684 -1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 237 4.074 16.135 0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 237 2.975 16.594 -1.950 1.00 0.00 H new ATOM 467 N GLY A 238 -0.452 10.966 -0.753 1.00 0.00 N ATOM 468 CA GLY A 238 0.304 9.728 -0.789 1.00 0.00 C ATOM 469 C GLY A 238 0.797 9.309 0.582 1.00 0.00 C ATOM 470 O GLY A 238 2.000 9.177 0.803 1.00 0.00 O ATOM 0 H GLY A 238 -1.414 10.890 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.320 8.937 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.157 9.846 -1.458 1.00 0.00 H new ATOM 474 N SER A 239 -0.136 9.102 1.506 1.00 0.00 N ATOM 475 CA SER A 239 0.210 8.701 2.865 1.00 0.00 C ATOM 476 C SER A 239 0.279 7.182 2.982 1.00 0.00 C ATOM 477 O SER A 239 1.320 6.621 3.321 1.00 0.00 O ATOM 478 CB SER A 239 -0.813 9.255 3.859 1.00 0.00 C ATOM 479 OG SER A 239 -0.251 9.379 5.153 1.00 0.00 O ATOM 0 H SER A 239 -1.137 9.205 1.339 1.00 0.00 H new ATOM 0 HA SER A 239 1.192 9.111 3.100 1.00 0.00 H new ATOM 0 HB2 SER A 239 -1.166 10.228 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.681 8.597 3.898 1.00 0.00 H new ATOM 0 HG SER A 239 -0.924 9.736 5.769 1.00 0.00 H new ATOM 485 N ASN A 240 -0.840 6.522 2.699 1.00 0.00 N ATOM 486 CA ASN A 240 -0.908 5.067 2.774 1.00 0.00 C ATOM 487 C ASN A 240 0.242 4.428 2.001 1.00 0.00 C ATOM 488 O ASN A 240 1.023 3.655 2.558 1.00 0.00 O ATOM 489 CB ASN A 240 -2.246 4.569 2.222 1.00 0.00 C ATOM 490 CG ASN A 240 -3.426 5.057 3.040 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.575 6.255 3.280 1.00 0.00 O ATOM 492 ND2 ASN A 240 -4.271 4.129 3.471 1.00 0.00 N ATOM 0 H ASN A 240 -1.711 6.971 2.416 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.824 4.778 3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -2.358 4.905 1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -2.246 3.479 2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -5.084 4.397 4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -4.108 3.147 3.248 1.00 0.00 H new ATOM 499 N ILE A 241 0.341 4.757 0.718 1.00 0.00 N ATOM 500 CA ILE A 241 1.397 4.218 -0.130 1.00 0.00 C ATOM 501 C ILE A 241 2.748 4.267 0.576 1.00 0.00 C ATOM 502 O ILE A 241 3.457 3.263 0.650 1.00 0.00 O ATOM 503 CB ILE A 241 1.498 4.986 -1.461 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.327 4.620 -2.376 1.00 0.00 C ATOM 505 CG2 ILE A 241 2.824 4.688 -2.145 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.311 5.394 -3.675 1.00 0.00 C ATOM 0 H ILE A 241 -0.298 5.395 0.242 1.00 0.00 H new ATOM 0 HA ILE A 241 1.136 3.180 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 241 1.451 6.055 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.370 3.554 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.608 4.798 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 241 2.881 5.238 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.645 4.993 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 241 2.898 3.619 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.546 5.083 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.237 6.460 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.230 5.197 -4.227 1.00 0.00 H new ATOM 518 N GLN A 242 3.096 5.440 1.095 1.00 0.00 N ATOM 519 CA GLN A 242 4.362 5.619 1.796 1.00 0.00 C ATOM 520 C GLN A 242 4.490 4.629 2.949 1.00 0.00 C ATOM 521 O GLN A 242 5.541 4.018 3.141 1.00 0.00 O ATOM 522 CB GLN A 242 4.480 7.050 2.322 1.00 0.00 C ATOM 523 CG GLN A 242 5.109 8.013 1.328 1.00 0.00 C ATOM 524 CD GLN A 242 5.449 9.354 1.950 1.00 0.00 C ATOM 525 OE1 GLN A 242 5.368 9.525 3.167 1.00 0.00 O ATOM 526 NE2 GLN A 242 5.832 10.313 1.116 1.00 0.00 N ATOM 0 H GLN A 242 2.520 6.280 1.043 1.00 0.00 H new ATOM 0 HA GLN A 242 5.170 5.432 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.488 7.413 2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 242 5.074 7.045 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 242 6.015 7.566 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.425 8.167 0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 242 5.885 10.127 0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 242 6.073 11.236 1.477 1.00 0.00 H new ATOM 535 N GLN A 243 3.413 4.475 3.714 1.00 0.00 N ATOM 536 CA GLN A 243 3.407 3.560 4.849 1.00 0.00 C ATOM 537 C GLN A 243 3.670 2.128 4.395 1.00 0.00 C ATOM 538 O GLN A 243 4.319 1.353 5.097 1.00 0.00 O ATOM 539 CB GLN A 243 2.068 3.636 5.585 1.00 0.00 C ATOM 540 CG GLN A 243 1.875 4.927 6.365 1.00 0.00 C ATOM 541 CD GLN A 243 0.418 5.211 6.671 1.00 0.00 C ATOM 542 OE1 GLN A 243 -0.333 4.316 7.058 1.00 0.00 O ATOM 543 NE2 GLN A 243 0.010 6.463 6.500 1.00 0.00 N ATOM 0 H GLN A 243 2.534 4.972 3.568 1.00 0.00 H new ATOM 0 HA GLN A 243 4.205 3.859 5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 243 1.259 3.534 4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 243 1.991 2.792 6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.434 4.870 7.299 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.291 5.757 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.667 7.174 6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 243 -0.960 6.714 6.691 1.00 0.00 H new ATOM 552 N ALA A 244 3.161 1.783 3.216 1.00 0.00 N ATOM 553 CA ALA A 244 3.343 0.445 2.668 1.00 0.00 C ATOM 554 C ALA A 244 4.814 0.165 2.379 1.00 0.00 C ATOM 555 O ALA A 244 5.368 -0.833 2.839 1.00 0.00 O ATOM 556 CB ALA A 244 2.513 0.276 1.404 1.00 0.00 C ATOM 0 H ALA A 244 2.620 2.412 2.623 1.00 0.00 H new ATOM 0 HA ALA A 244 3.003 -0.275 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 244 2.658 -0.728 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.459 0.424 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 244 2.827 1.010 0.662 1.00 0.00 H new ATOM 562 N ARG A 245 5.441 1.052 1.613 1.00 0.00 N ATOM 563 CA ARG A 245 6.847 0.899 1.261 1.00 0.00 C ATOM 564 C ARG A 245 7.723 0.899 2.510 1.00 0.00 C ATOM 565 O ARG A 245 8.779 0.267 2.541 1.00 0.00 O ATOM 566 CB ARG A 245 7.284 2.022 0.318 1.00 0.00 C ATOM 567 CG ARG A 245 7.830 3.244 1.039 1.00 0.00 C ATOM 568 CD ARG A 245 7.693 4.498 0.191 1.00 0.00 C ATOM 569 NE ARG A 245 8.251 5.672 0.856 1.00 0.00 N ATOM 570 CZ ARG A 245 8.572 6.794 0.220 1.00 0.00 C ATOM 571 NH1 ARG A 245 8.390 6.893 -1.089 1.00 0.00 N ATOM 572 NH2 ARG A 245 9.075 7.820 0.895 1.00 0.00 N ATOM 0 H ARG A 245 4.997 1.884 1.224 1.00 0.00 H new ATOM 0 HA ARG A 245 6.967 -0.059 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 245 8.047 1.639 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 245 6.434 2.322 -0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 245 7.298 3.380 1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 245 8.879 3.083 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 245 8.198 4.347 -0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 245 6.640 4.673 -0.030 1.00 0.00 H new ATOM 0 HE ARG A 245 8.403 5.629 1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 245 8.003 6.107 -1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 245 8.637 7.755 -1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 245 9.216 7.748 1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 245 9.321 8.681 0.406 1.00 0.00 H new ATOM 586 N LYS A 246 7.278 1.612 3.539 1.00 0.00 N ATOM 587 CA LYS A 246 8.020 1.695 4.791 1.00 0.00 C ATOM 588 C LYS A 246 8.094 0.331 5.470 1.00 0.00 C ATOM 589 O LYS A 246 8.783 0.164 6.477 1.00 0.00 O ATOM 590 CB LYS A 246 7.363 2.709 5.731 1.00 0.00 C ATOM 591 CG LYS A 246 7.780 4.144 5.463 1.00 0.00 C ATOM 592 CD LYS A 246 7.671 4.999 6.715 1.00 0.00 C ATOM 593 CE LYS A 246 6.268 5.561 6.885 1.00 0.00 C ATOM 594 NZ LYS A 246 6.264 6.806 7.701 1.00 0.00 N ATOM 0 H LYS A 246 6.406 2.141 3.530 1.00 0.00 H new ATOM 0 HA LYS A 246 9.034 2.024 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 246 6.280 2.630 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 246 7.613 2.453 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 246 8.806 4.163 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 246 7.153 4.566 4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 246 7.933 4.402 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 246 8.388 5.818 6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 246 5.839 5.768 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 246 5.633 4.814 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 5.290 7.157 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 6.650 6.603 8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 6.850 7.528 7.235 1.00 0.00 H new ATOM 608 N VAL A 247 7.382 -0.643 4.912 1.00 0.00 N ATOM 609 CA VAL A 247 7.370 -1.993 5.462 1.00 0.00 C ATOM 610 C VAL A 247 8.646 -2.745 5.101 1.00 0.00 C ATOM 611 O VAL A 247 9.146 -2.666 3.979 1.00 0.00 O ATOM 612 CB VAL A 247 6.154 -2.794 4.958 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.194 -4.218 5.491 1.00 0.00 C ATOM 614 CG2 VAL A 247 4.859 -2.103 5.357 1.00 0.00 C ATOM 0 H VAL A 247 6.806 -0.522 4.079 1.00 0.00 H new ATOM 0 HA VAL A 247 7.305 -1.893 6.545 1.00 0.00 H new ATOM 0 HB VAL A 247 6.196 -2.838 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.327 -4.768 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.106 -4.709 5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.177 -4.199 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.010 -2.682 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 247 4.807 -2.027 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 247 4.830 -1.104 4.921 1.00 0.00 H new ATOM 624 N PRO A 248 9.186 -3.495 6.073 1.00 0.00 N ATOM 625 CA PRO A 248 10.410 -4.278 5.881 1.00 0.00 C ATOM 626 C PRO A 248 10.199 -5.465 4.948 1.00 0.00 C ATOM 627 O PRO A 248 9.279 -6.260 5.138 1.00 0.00 O ATOM 628 CB PRO A 248 10.747 -4.761 7.294 1.00 0.00 C ATOM 629 CG PRO A 248 9.442 -4.771 8.012 1.00 0.00 C ATOM 630 CD PRO A 248 8.643 -3.637 7.435 1.00 0.00 C ATOM 0 HA PRO A 248 11.201 -3.690 5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 248 11.197 -5.754 7.276 1.00 0.00 H new ATOM 0 HB3 PRO A 248 11.461 -4.096 7.780 1.00 0.00 H new ATOM 0 HG2 PRO A 248 8.927 -5.722 7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 248 9.586 -4.641 9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 248 7.577 -3.863 7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 248 8.767 -2.722 8.015 1.00 0.00 H new ATOM 638 N GLY A 249 11.058 -5.580 3.940 1.00 0.00 N ATOM 639 CA GLY A 249 10.948 -6.674 2.993 1.00 0.00 C ATOM 640 C GLY A 249 10.362 -6.235 1.665 1.00 0.00 C ATOM 641 O GLY A 249 10.405 -6.977 0.684 1.00 0.00 O ATOM 0 H GLY A 249 11.828 -4.935 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 249 11.934 -7.106 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.324 -7.459 3.420 1.00 0.00 H new ATOM 645 N VAL A 250 9.811 -5.026 1.635 1.00 0.00 N ATOM 646 CA VAL A 250 9.213 -4.489 0.418 1.00 0.00 C ATOM 647 C VAL A 250 10.256 -3.786 -0.443 1.00 0.00 C ATOM 648 O VAL A 250 10.650 -2.654 -0.161 1.00 0.00 O ATOM 649 CB VAL A 250 8.077 -3.500 0.740 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.670 -2.729 -0.507 1.00 0.00 C ATOM 651 CG2 VAL A 250 6.885 -4.234 1.336 1.00 0.00 C ATOM 0 H VAL A 250 9.766 -4.400 2.439 1.00 0.00 H new ATOM 0 HA VAL A 250 8.802 -5.335 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 250 8.440 -2.784 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 250 6.866 -2.035 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.527 -2.172 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.325 -3.427 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.092 -3.520 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.519 -4.973 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.189 -4.735 2.255 1.00 0.00 H new ATOM 661 N THR A 251 10.701 -4.464 -1.496 1.00 0.00 N ATOM 662 CA THR A 251 11.699 -3.905 -2.399 1.00 0.00 C ATOM 663 C THR A 251 11.229 -2.579 -2.986 1.00 0.00 C ATOM 664 O THR A 251 11.961 -1.590 -2.975 1.00 0.00 O ATOM 665 CB THR A 251 12.023 -4.877 -3.549 1.00 0.00 C ATOM 666 OG1 THR A 251 10.823 -5.227 -4.248 1.00 0.00 O ATOM 667 CG2 THR A 251 12.694 -6.136 -3.021 1.00 0.00 C ATOM 0 H THR A 251 10.386 -5.402 -1.745 1.00 0.00 H new ATOM 0 HA THR A 251 12.600 -3.738 -1.809 1.00 0.00 H new ATOM 0 HB THR A 251 12.709 -4.379 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 251 10.972 -5.149 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 251 12.913 -6.807 -3.851 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.622 -5.869 -2.516 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.028 -6.635 -2.317 1.00 0.00 H new ATOM 675 N ALA A 252 10.002 -2.566 -3.497 1.00 0.00 N ATOM 676 CA ALA A 252 9.433 -1.360 -4.086 1.00 0.00 C ATOM 677 C ALA A 252 7.916 -1.467 -4.198 1.00 0.00 C ATOM 678 O ALA A 252 7.348 -2.549 -4.046 1.00 0.00 O ATOM 679 CB ALA A 252 10.048 -1.100 -5.453 1.00 0.00 C ATOM 0 H ALA A 252 9.383 -3.377 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 252 9.664 -0.521 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.614 -0.197 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.125 -0.971 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.846 -1.946 -6.110 1.00 0.00 H new ATOM 685 N ILE A 253 7.266 -0.339 -4.464 1.00 0.00 N ATOM 686 CA ILE A 253 5.814 -0.308 -4.597 1.00 0.00 C ATOM 687 C ILE A 253 5.387 0.591 -5.753 1.00 0.00 C ATOM 688 O ILE A 253 5.568 1.807 -5.705 1.00 0.00 O ATOM 689 CB ILE A 253 5.141 0.185 -3.302 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.327 -0.841 -2.183 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.663 0.454 -3.543 1.00 0.00 C ATOM 692 CD1 ILE A 253 4.688 -0.430 -0.874 1.00 0.00 C ATOM 0 H ILE A 253 7.721 0.565 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 253 5.493 -1.330 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 253 5.614 1.118 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 253 4.904 -1.794 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.393 -1.003 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.201 0.802 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.553 1.217 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.175 -0.464 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 253 4.860 -1.204 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.128 0.507 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 253 3.616 -0.296 -1.019 1.00 0.00 H new ATOM 704 N GLU A 254 4.818 -0.017 -6.789 1.00 0.00 N ATOM 705 CA GLU A 254 4.365 0.729 -7.956 1.00 0.00 C ATOM 706 C GLU A 254 2.842 0.710 -8.056 1.00 0.00 C ATOM 707 O GLU A 254 2.189 -0.221 -7.584 1.00 0.00 O ATOM 708 CB GLU A 254 4.977 0.147 -9.232 1.00 0.00 C ATOM 709 CG GLU A 254 6.410 0.591 -9.477 1.00 0.00 C ATOM 710 CD GLU A 254 6.515 2.070 -9.797 1.00 0.00 C ATOM 711 OE1 GLU A 254 6.212 2.452 -10.946 1.00 0.00 O ATOM 712 OE2 GLU A 254 6.900 2.845 -8.896 1.00 0.00 O ATOM 0 H GLU A 254 4.660 -1.023 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 254 4.693 1.762 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 254 4.947 -0.941 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.364 0.439 -10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 254 7.011 0.370 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 254 6.830 0.014 -10.301 1.00 0.00 H new ATOM 719 N LEU A 255 2.283 1.746 -8.673 1.00 0.00 N ATOM 720 CA LEU A 255 0.837 1.850 -8.835 1.00 0.00 C ATOM 721 C LEU A 255 0.471 2.137 -10.287 1.00 0.00 C ATOM 722 O LEU A 255 0.730 3.226 -10.799 1.00 0.00 O ATOM 723 CB LEU A 255 0.280 2.950 -7.929 1.00 0.00 C ATOM 724 CG LEU A 255 -1.063 3.549 -8.348 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.137 2.473 -8.389 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.466 4.671 -7.402 1.00 0.00 C ATOM 0 H LEU A 255 2.809 2.525 -9.069 1.00 0.00 H new ATOM 0 HA LEU A 255 0.395 0.895 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.176 2.546 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 255 1.013 3.755 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 255 -0.956 3.966 -9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -3.086 2.917 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -1.854 1.703 -9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.242 2.026 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.424 5.085 -7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.555 4.279 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.708 5.454 -7.423 1.00 0.00 H new ATOM 738 N ASP A 256 -0.135 1.154 -10.945 1.00 0.00 N ATOM 739 CA ASP A 256 -0.540 1.302 -12.338 1.00 0.00 C ATOM 740 C ASP A 256 -1.834 2.102 -12.445 1.00 0.00 C ATOM 741 O ASP A 256 -2.924 1.564 -12.250 1.00 0.00 O ATOM 742 CB ASP A 256 -0.718 -0.071 -12.988 1.00 0.00 C ATOM 743 CG ASP A 256 0.602 -0.783 -13.209 1.00 0.00 C ATOM 744 OD1 ASP A 256 1.516 -0.611 -12.374 1.00 0.00 O ATOM 745 OD2 ASP A 256 0.722 -1.512 -14.215 1.00 0.00 O ATOM 0 H ASP A 256 -0.356 0.246 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 256 0.245 1.845 -12.864 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -1.359 -0.688 -12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -1.229 0.046 -13.944 1.00 0.00 H new ATOM 750 N GLU A 257 -1.706 3.388 -12.755 1.00 0.00 N ATOM 751 CA GLU A 257 -2.867 4.261 -12.886 1.00 0.00 C ATOM 752 C GLU A 257 -3.625 3.968 -14.178 1.00 0.00 C ATOM 753 O GLU A 257 -4.844 4.128 -14.244 1.00 0.00 O ATOM 754 CB GLU A 257 -2.434 5.728 -12.858 1.00 0.00 C ATOM 755 CG GLU A 257 -2.237 6.278 -11.455 1.00 0.00 C ATOM 756 CD GLU A 257 -3.513 6.851 -10.869 1.00 0.00 C ATOM 757 OE1 GLU A 257 -4.441 6.065 -10.583 1.00 0.00 O ATOM 758 OE2 GLU A 257 -3.583 8.086 -10.694 1.00 0.00 O ATOM 0 H GLU A 257 -0.811 3.848 -12.920 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.532 4.069 -12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -1.503 5.834 -13.415 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.183 6.329 -13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -1.868 5.484 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.471 7.053 -11.477 1.00 0.00 H new ATOM 765 N ASP A 258 -2.895 3.538 -15.201 1.00 0.00 N ATOM 766 CA ASP A 258 -3.498 3.221 -16.491 1.00 0.00 C ATOM 767 C ASP A 258 -4.798 2.446 -16.307 1.00 0.00 C ATOM 768 O ASP A 258 -5.775 2.670 -17.023 1.00 0.00 O ATOM 769 CB ASP A 258 -2.523 2.412 -17.348 1.00 0.00 C ATOM 770 CG ASP A 258 -2.719 2.655 -18.832 1.00 0.00 C ATOM 771 OD1 ASP A 258 -2.234 3.691 -19.332 1.00 0.00 O ATOM 772 OD2 ASP A 258 -3.357 1.809 -19.492 1.00 0.00 O ATOM 0 H ASP A 258 -1.885 3.401 -15.162 1.00 0.00 H new ATOM 0 HA ASP A 258 -3.724 4.158 -16.999 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -1.501 2.670 -17.072 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -2.652 1.351 -17.136 1.00 0.00 H new ATOM 777 N THR A 259 -4.804 1.530 -15.343 1.00 0.00 N ATOM 778 CA THR A 259 -5.983 0.719 -15.067 1.00 0.00 C ATOM 779 C THR A 259 -6.369 0.794 -13.594 1.00 0.00 C ATOM 780 O THR A 259 -7.538 0.650 -13.240 1.00 0.00 O ATOM 781 CB THR A 259 -5.755 -0.755 -15.452 1.00 0.00 C ATOM 782 OG1 THR A 259 -5.070 -1.437 -14.395 1.00 0.00 O ATOM 783 CG2 THR A 259 -4.947 -0.859 -16.737 1.00 0.00 C ATOM 0 H THR A 259 -4.005 1.332 -14.741 1.00 0.00 H new ATOM 0 HA THR A 259 -6.793 1.123 -15.674 1.00 0.00 H new ATOM 0 HB THR A 259 -6.727 -1.221 -15.614 1.00 0.00 H new ATOM 0 HG1 THR A 259 -4.789 -2.323 -14.705 1.00 0.00 H new ATOM 0 HG21 THR A 259 -4.798 -1.909 -16.989 1.00 0.00 H new ATOM 0 HG22 THR A 259 -5.484 -0.364 -17.546 1.00 0.00 H new ATOM 0 HG23 THR A 259 -3.978 -0.379 -16.598 1.00 0.00 H new ATOM 791 N GLY A 260 -5.377 1.020 -12.738 1.00 0.00 N ATOM 792 CA GLY A 260 -5.633 1.110 -11.312 1.00 0.00 C ATOM 793 C GLY A 260 -5.252 -0.157 -10.573 1.00 0.00 C ATOM 794 O GLY A 260 -5.965 -0.598 -9.671 1.00 0.00 O ATOM 0 H GLY A 260 -4.401 1.142 -13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.075 1.950 -10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.690 1.318 -11.148 1.00 0.00 H new ATOM 798 N THR A 261 -4.124 -0.747 -10.957 1.00 0.00 N ATOM 799 CA THR A 261 -3.651 -1.973 -10.326 1.00 0.00 C ATOM 800 C THR A 261 -2.401 -1.715 -9.492 1.00 0.00 C ATOM 801 O THR A 261 -1.359 -1.328 -10.020 1.00 0.00 O ATOM 802 CB THR A 261 -3.340 -3.059 -11.373 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.530 -3.400 -12.094 1.00 0.00 O ATOM 804 CG2 THR A 261 -2.769 -4.303 -10.710 1.00 0.00 C ATOM 0 H THR A 261 -3.522 -0.396 -11.701 1.00 0.00 H new ATOM 0 HA THR A 261 -4.452 -2.324 -9.676 1.00 0.00 H new ATOM 0 HB THR A 261 -2.597 -2.662 -12.065 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.680 -2.744 -12.807 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.557 -5.056 -11.470 1.00 0.00 H new ATOM 0 HG22 THR A 261 -1.848 -4.046 -10.187 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.492 -4.700 -9.997 1.00 0.00 H new ATOM 812 N PHE A 262 -2.512 -1.933 -8.186 1.00 0.00 N ATOM 813 CA PHE A 262 -1.391 -1.724 -7.278 1.00 0.00 C ATOM 814 C PHE A 262 -0.428 -2.907 -7.320 1.00 0.00 C ATOM 815 O PHE A 262 -0.800 -4.035 -6.995 1.00 0.00 O ATOM 816 CB PHE A 262 -1.896 -1.514 -5.849 1.00 0.00 C ATOM 817 CG PHE A 262 -2.166 -0.075 -5.514 1.00 0.00 C ATOM 818 CD1 PHE A 262 -1.121 0.802 -5.274 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.466 0.400 -5.440 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.367 2.127 -4.964 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.718 1.724 -5.131 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.667 2.588 -4.894 1.00 0.00 C ATOM 0 H PHE A 262 -3.367 -2.254 -7.733 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.856 -0.831 -7.602 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.811 -2.090 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -1.159 -1.909 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 262 -0.103 0.447 -5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.291 -0.271 -5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.544 2.800 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.735 2.082 -5.075 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.861 3.623 -4.654 1.00 0.00 H new ATOM 832 N ARG A 263 0.810 -2.641 -7.724 1.00 0.00 N ATOM 833 CA ARG A 263 1.825 -3.683 -7.811 1.00 0.00 C ATOM 834 C ARG A 263 2.867 -3.521 -6.708 1.00 0.00 C ATOM 835 O ARG A 263 3.620 -2.546 -6.690 1.00 0.00 O ATOM 836 CB ARG A 263 2.507 -3.648 -9.180 1.00 0.00 C ATOM 837 CG ARG A 263 1.758 -4.420 -10.253 1.00 0.00 C ATOM 838 CD ARG A 263 2.625 -4.652 -11.481 1.00 0.00 C ATOM 839 NE ARG A 263 2.860 -3.419 -12.227 1.00 0.00 N ATOM 840 CZ ARG A 263 3.372 -3.387 -13.452 1.00 0.00 C ATOM 841 NH1 ARG A 263 3.700 -4.515 -14.066 1.00 0.00 N ATOM 842 NH2 ARG A 263 3.555 -2.225 -14.066 1.00 0.00 N ATOM 0 H ARG A 263 1.134 -1.713 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 263 1.332 -4.647 -7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.613 -2.611 -9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.513 -4.057 -9.086 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.431 -5.379 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.861 -3.871 -10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 263 3.580 -5.078 -11.175 1.00 0.00 H new ATOM 0 HD3 ARG A 263 2.144 -5.383 -12.131 1.00 0.00 H new ATOM 0 HE ARG A 263 2.618 -2.533 -11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 263 3.559 -5.410 -13.598 1.00 0.00 H new ATOM 0 HH12 ARG A 263 4.093 -4.488 -15.007 1.00 0.00 H new ATOM 0 HH21 ARG A 263 3.302 -1.355 -13.597 1.00 0.00 H new ATOM 0 HH22 ARG A 263 3.948 -2.202 -15.007 1.00 0.00 H new ATOM 856 N ILE A 264 2.904 -4.481 -5.790 1.00 0.00 N ATOM 857 CA ILE A 264 3.854 -4.444 -4.685 1.00 0.00 C ATOM 858 C ILE A 264 4.958 -5.478 -4.874 1.00 0.00 C ATOM 859 O ILE A 264 4.703 -6.601 -5.309 1.00 0.00 O ATOM 860 CB ILE A 264 3.156 -4.695 -3.335 1.00 0.00 C ATOM 861 CG1 ILE A 264 1.942 -3.776 -3.184 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.132 -4.485 -2.187 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.048 -4.142 -2.021 1.00 0.00 C ATOM 0 H ILE A 264 2.287 -5.294 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 264 4.292 -3.446 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 264 2.811 -5.729 -3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.287 -2.750 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.358 -3.805 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.624 -4.666 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 264 4.968 -5.177 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.505 -3.461 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.208 -3.448 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 264 0.673 -5.157 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.617 -4.085 -1.093 1.00 0.00 H new ATOM 875 N TYR A 265 6.185 -5.092 -4.543 1.00 0.00 N ATOM 876 CA TYR A 265 7.330 -5.986 -4.677 1.00 0.00 C ATOM 877 C TYR A 265 7.972 -6.255 -3.319 1.00 0.00 C ATOM 878 O TYR A 265 8.399 -5.332 -2.627 1.00 0.00 O ATOM 879 CB TYR A 265 8.362 -5.387 -5.632 1.00 0.00 C ATOM 880 CG TYR A 265 7.796 -5.025 -6.987 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.197 -3.790 -7.203 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.858 -5.918 -8.049 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.677 -3.455 -8.439 1.00 0.00 C ATOM 884 CE2 TYR A 265 7.342 -5.591 -9.288 1.00 0.00 C ATOM 885 CZ TYR A 265 6.753 -4.358 -9.478 1.00 0.00 C ATOM 886 OH TYR A 265 6.237 -4.030 -10.710 1.00 0.00 O ATOM 0 H TYR A 265 6.413 -4.166 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 265 6.975 -6.932 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.791 -4.494 -5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.176 -6.099 -5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 265 7.137 -3.080 -6.391 1.00 0.00 H new ATOM 0 HD2 TYR A 265 8.317 -6.885 -7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 265 6.214 -2.491 -8.590 1.00 0.00 H new ATOM 0 HE2 TYR A 265 7.399 -6.297 -10.103 1.00 0.00 H new ATOM 0 HH TYR A 265 6.373 -4.776 -11.331 1.00 0.00 H new ATOM 896 N GLY A 266 8.038 -7.530 -2.945 1.00 0.00 N ATOM 897 CA GLY A 266 8.630 -7.900 -1.673 1.00 0.00 C ATOM 898 C GLY A 266 9.377 -9.217 -1.742 1.00 0.00 C ATOM 899 O GLY A 266 8.928 -10.158 -2.395 1.00 0.00 O ATOM 0 H GLY A 266 7.692 -8.312 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.314 -7.114 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 266 7.847 -7.969 -0.918 1.00 0.00 H new ATOM 903 N GLU A 267 10.521 -9.283 -1.068 1.00 0.00 N ATOM 904 CA GLU A 267 11.333 -10.494 -1.059 1.00 0.00 C ATOM 905 C GLU A 267 10.566 -11.658 -0.436 1.00 0.00 C ATOM 906 O GLU A 267 10.740 -12.811 -0.829 1.00 0.00 O ATOM 907 CB GLU A 267 12.634 -10.257 -0.291 1.00 0.00 C ATOM 908 CG GLU A 267 13.586 -9.298 -0.987 1.00 0.00 C ATOM 909 CD GLU A 267 15.037 -9.557 -0.634 1.00 0.00 C ATOM 910 OE1 GLU A 267 15.441 -9.223 0.500 1.00 0.00 O ATOM 911 OE2 GLU A 267 15.770 -10.094 -1.491 1.00 0.00 O ATOM 0 H GLU A 267 10.906 -8.513 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 267 11.571 -10.749 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.396 -9.865 0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 267 13.138 -11.212 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 267 13.458 -9.384 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.327 -8.274 -0.716 1.00 0.00 H new ATOM 918 N SER A 268 9.718 -11.345 0.539 1.00 0.00 N ATOM 919 CA SER A 268 8.928 -12.364 1.220 1.00 0.00 C ATOM 920 C SER A 268 7.446 -12.001 1.208 1.00 0.00 C ATOM 921 O SER A 268 7.056 -10.927 1.665 1.00 0.00 O ATOM 922 CB SER A 268 9.411 -12.535 2.662 1.00 0.00 C ATOM 923 OG SER A 268 9.485 -11.286 3.326 1.00 0.00 O ATOM 0 H SER A 268 9.561 -10.395 0.875 1.00 0.00 H new ATOM 0 HA SER A 268 9.058 -13.306 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 268 8.732 -13.197 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 268 10.391 -13.011 2.666 1.00 0.00 H new ATOM 0 HG SER A 268 8.779 -10.695 2.991 1.00 0.00 H new ATOM 929 N ALA A 269 6.626 -12.904 0.681 1.00 0.00 N ATOM 930 CA ALA A 269 5.188 -12.681 0.610 1.00 0.00 C ATOM 931 C ALA A 269 4.679 -11.979 1.865 1.00 0.00 C ATOM 932 O ALA A 269 3.744 -11.181 1.805 1.00 0.00 O ATOM 933 CB ALA A 269 4.458 -14.001 0.409 1.00 0.00 C ATOM 0 H ALA A 269 6.934 -13.797 0.297 1.00 0.00 H new ATOM 0 HA ALA A 269 4.987 -12.034 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.385 -13.819 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.792 -14.464 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.674 -14.667 1.245 1.00 0.00 H new ATOM 939 N ASP A 270 5.300 -12.281 2.999 1.00 0.00 N ATOM 940 CA ASP A 270 4.910 -11.678 4.269 1.00 0.00 C ATOM 941 C ASP A 270 5.001 -10.157 4.198 1.00 0.00 C ATOM 942 O ASP A 270 4.090 -9.451 4.629 1.00 0.00 O ATOM 943 CB ASP A 270 5.796 -12.202 5.400 1.00 0.00 C ATOM 944 CG ASP A 270 5.385 -13.587 5.863 1.00 0.00 C ATOM 945 OD1 ASP A 270 4.734 -14.306 5.076 1.00 0.00 O ATOM 946 OD2 ASP A 270 5.714 -13.951 7.011 1.00 0.00 O ATOM 0 H ASP A 270 6.076 -12.940 3.066 1.00 0.00 H new ATOM 0 HA ASP A 270 3.875 -11.953 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 270 6.833 -12.227 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 270 5.751 -11.512 6.243 1.00 0.00 H new ATOM 951 N ALA A 271 6.106 -9.660 3.653 1.00 0.00 N ATOM 952 CA ALA A 271 6.315 -8.223 3.526 1.00 0.00 C ATOM 953 C ALA A 271 5.241 -7.588 2.648 1.00 0.00 C ATOM 954 O ALA A 271 4.407 -6.820 3.128 1.00 0.00 O ATOM 955 CB ALA A 271 7.698 -7.939 2.959 1.00 0.00 C ATOM 0 H ALA A 271 6.870 -10.231 3.292 1.00 0.00 H new ATOM 0 HA ALA A 271 6.244 -7.781 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 271 7.840 -6.862 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.456 -8.351 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 271 7.790 -8.400 1.976 1.00 0.00 H new ATOM 961 N VAL A 272 5.269 -7.912 1.359 1.00 0.00 N ATOM 962 CA VAL A 272 4.298 -7.373 0.415 1.00 0.00 C ATOM 963 C VAL A 272 2.878 -7.496 0.956 1.00 0.00 C ATOM 964 O VAL A 272 2.030 -6.638 0.708 1.00 0.00 O ATOM 965 CB VAL A 272 4.381 -8.089 -0.946 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.580 -7.594 -1.739 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.447 -9.597 -0.750 1.00 0.00 C ATOM 0 H VAL A 272 5.953 -8.545 0.945 1.00 0.00 H new ATOM 0 HA VAL A 272 4.541 -6.319 0.278 1.00 0.00 H new ATOM 0 HB VAL A 272 3.480 -7.857 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.621 -8.112 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.486 -6.522 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.494 -7.793 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.505 -10.088 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.330 -9.849 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.553 -9.935 -0.226 1.00 0.00 H new ATOM 977 N LYS A 273 2.625 -8.569 1.698 1.00 0.00 N ATOM 978 CA LYS A 273 1.308 -8.806 2.277 1.00 0.00 C ATOM 979 C LYS A 273 0.981 -7.755 3.334 1.00 0.00 C ATOM 980 O LYS A 273 -0.072 -7.119 3.287 1.00 0.00 O ATOM 981 CB LYS A 273 1.244 -10.204 2.896 1.00 0.00 C ATOM 982 CG LYS A 273 0.837 -11.287 1.912 1.00 0.00 C ATOM 983 CD LYS A 273 0.539 -12.599 2.619 1.00 0.00 C ATOM 984 CE LYS A 273 -0.180 -13.575 1.700 1.00 0.00 C ATOM 985 NZ LYS A 273 0.775 -14.422 0.934 1.00 0.00 N ATOM 0 H LYS A 273 3.315 -9.289 1.913 1.00 0.00 H new ATOM 0 HA LYS A 273 0.570 -8.735 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.220 -10.452 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.536 -10.193 3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -0.044 -10.963 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.635 -11.438 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 273 1.470 -13.045 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -0.074 -12.408 3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -0.838 -14.213 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -0.812 -13.021 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 0.265 -15.221 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 1.219 -13.854 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 1.510 -14.784 1.575 1.00 0.00 H new ATOM 999 N LYS A 274 1.891 -7.577 4.286 1.00 0.00 N ATOM 1000 CA LYS A 274 1.702 -6.602 5.353 1.00 0.00 C ATOM 1001 C LYS A 274 1.419 -5.217 4.780 1.00 0.00 C ATOM 1002 O LYS A 274 0.472 -4.547 5.190 1.00 0.00 O ATOM 1003 CB LYS A 274 2.940 -6.551 6.250 1.00 0.00 C ATOM 1004 CG LYS A 274 2.756 -5.698 7.494 1.00 0.00 C ATOM 1005 CD LYS A 274 4.027 -5.642 8.325 1.00 0.00 C ATOM 1006 CE LYS A 274 4.093 -4.369 9.155 1.00 0.00 C ATOM 1007 NZ LYS A 274 4.968 -4.531 10.349 1.00 0.00 N ATOM 0 H LYS A 274 2.767 -8.096 4.340 1.00 0.00 H new ATOM 0 HA LYS A 274 0.843 -6.913 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.202 -7.565 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 274 3.780 -6.162 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.465 -4.688 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 274 1.943 -6.103 8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.071 -6.510 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.895 -5.695 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 274 4.468 -3.552 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 274 3.089 -4.092 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 4.987 -3.642 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 4.596 -5.294 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 5.933 -4.771 10.043 1.00 0.00 H new ATOM 1021 N ALA A 275 2.246 -4.795 3.829 1.00 0.00 N ATOM 1022 CA ALA A 275 2.082 -3.491 3.197 1.00 0.00 C ATOM 1023 C ALA A 275 0.809 -3.443 2.359 1.00 0.00 C ATOM 1024 O ALA A 275 0.116 -2.426 2.322 1.00 0.00 O ATOM 1025 CB ALA A 275 3.294 -3.164 2.339 1.00 0.00 C ATOM 0 H ALA A 275 3.036 -5.337 3.479 1.00 0.00 H new ATOM 0 HA ALA A 275 1.996 -2.742 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.158 -2.188 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.188 -3.147 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.407 -3.923 1.565 1.00 0.00 H new ATOM 1031 N ARG A 276 0.507 -4.549 1.686 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.682 -4.632 0.847 1.00 0.00 C ATOM 1033 C ARG A 276 -1.906 -4.095 1.583 1.00 0.00 C ATOM 1034 O ARG A 276 -2.701 -3.344 1.020 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.927 -6.079 0.415 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.111 -6.242 -0.524 1.00 0.00 C ATOM 1037 CD ARG A 276 -1.982 -7.499 -1.371 1.00 0.00 C ATOM 1038 NE ARG A 276 -2.514 -8.675 -0.689 1.00 0.00 N ATOM 1039 CZ ARG A 276 -3.812 -8.913 -0.537 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -4.706 -8.060 -1.018 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -4.218 -10.007 0.095 1.00 0.00 N ATOM 0 H ARG A 276 1.070 -5.400 1.706 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.515 -4.019 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 276 -0.031 -6.460 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -1.090 -6.691 1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -3.033 -6.286 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.184 -5.370 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -2.510 -7.357 -2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -0.933 -7.665 -1.615 1.00 0.00 H new ATOM 0 HE ARG A 276 -1.852 -9.351 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -4.398 -7.219 -1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -5.702 -8.245 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -3.533 -10.666 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -5.215 -10.189 0.211 1.00 0.00 H new ATOM 1055 N GLY A 277 -2.051 -4.487 2.845 1.00 0.00 N ATOM 1056 CA GLY A 277 -3.180 -4.036 3.637 1.00 0.00 C ATOM 1057 C GLY A 277 -3.375 -2.535 3.566 1.00 0.00 C ATOM 1058 O GLY A 277 -4.506 -2.047 3.580 1.00 0.00 O ATOM 0 H GLY A 277 -1.407 -5.109 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -4.085 -4.534 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -3.032 -4.331 4.676 1.00 0.00 H new ATOM 1062 N PHE A 278 -2.271 -1.799 3.490 1.00 0.00 N ATOM 1063 CA PHE A 278 -2.326 -0.343 3.419 1.00 0.00 C ATOM 1064 C PHE A 278 -2.894 0.115 2.079 1.00 0.00 C ATOM 1065 O PHE A 278 -3.711 1.035 2.020 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.931 0.251 3.625 1.00 0.00 C ATOM 1067 CG PHE A 278 -0.423 0.115 5.032 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -1.160 0.603 6.099 1.00 0.00 C ATOM 1069 CD2 PHE A 278 0.791 -0.502 5.287 1.00 0.00 C ATOM 1070 CE1 PHE A 278 -0.694 0.479 7.394 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.262 -0.629 6.580 1.00 0.00 C ATOM 1072 CZ PHE A 278 0.518 -0.139 7.635 1.00 0.00 C ATOM 0 H PHE A 278 -1.328 -2.187 3.476 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.985 0.011 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 278 -0.233 -0.239 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.951 1.307 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -2.109 1.085 5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.376 -0.888 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -1.277 0.865 8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 278 2.211 -1.111 6.765 1.00 0.00 H new ATOM 0 HZ PHE A 278 0.883 -0.239 8.647 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.455 -0.532 1.005 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.919 -0.192 -0.335 1.00 0.00 C ATOM 1084 C LEU A 279 -4.335 -0.708 -0.570 1.00 0.00 C ATOM 1085 O LEU A 279 -5.085 -0.149 -1.369 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.972 -0.773 -1.387 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.531 -0.261 -1.348 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.351 -1.078 -2.280 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.479 1.214 -1.720 1.00 0.00 C ATOM 0 H LEU A 279 -1.779 -1.295 1.036 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.929 0.894 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.955 -1.857 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.385 -0.563 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 279 -0.153 -0.373 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.372 -0.699 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.339 -2.123 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -0.025 -0.998 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.554 1.561 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.876 1.350 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -1.078 1.789 -1.014 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.694 -1.777 0.135 1.00 0.00 N ATOM 1102 CA GLU A 280 -6.021 -2.367 0.004 1.00 0.00 C ATOM 1103 C GLU A 280 -7.105 -1.300 0.127 1.00 0.00 C ATOM 1104 O GLU A 280 -6.942 -0.313 0.845 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.230 -3.448 1.067 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.561 -4.770 0.730 1.00 0.00 C ATOM 1107 CD GLU A 280 -6.127 -5.929 1.527 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -6.850 -5.675 2.513 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -5.848 -7.091 1.163 1.00 0.00 O ATOM 0 H GLU A 280 -4.085 -2.251 0.802 1.00 0.00 H new ATOM 0 HA GLU A 280 -6.093 -2.821 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -5.844 -3.088 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.299 -3.615 1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -5.681 -4.973 -0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -4.491 -4.691 0.921 1.00 0.00 H new