USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 478 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 259 THR OG1 : rot 180:sc= -0.277 USER MOD Set 1.2: A 261 THR OG1 : rot 180:sc= 0 USER MOD Single : A 220 HIS : no HD1:sc= -0.895 K(o=-0.89,f=-0.07) USER MOD Single : A 230 MET CE :methyl -142:sc= -1.27 (180deg=-3.86!) USER MOD Single : A 236 THR OG1 : rot 28:sc= 0.533 USER MOD Single : A 237 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.13) USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 240 ASN : amide:sc= -3.05! C(o=-3!,f=-6.1!) USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 243 GLN : amide:sc= -0.848 K(o=-0.85,f=-5!) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 THR OG1 : rot 140:sc= -0.533 USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot 180:sc= 0 USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 11.942 -9.756 -6.911 1.00 0.00 N ATOM 149 CA ALA A 217 11.162 -10.142 -5.742 1.00 0.00 C ATOM 150 C ALA A 217 10.615 -11.557 -5.890 1.00 0.00 C ATOM 151 O ALA A 217 10.131 -11.937 -6.956 1.00 0.00 O ATOM 152 CB ALA A 217 10.026 -9.155 -5.517 1.00 0.00 C ATOM 0 HA ALA A 217 11.821 -10.125 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.451 -9.455 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.437 -8.158 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.375 -9.144 -6.391 1.00 0.00 H new ATOM 158 N ALA A 218 10.694 -12.333 -4.814 1.00 0.00 N ATOM 159 CA ALA A 218 10.205 -13.706 -4.824 1.00 0.00 C ATOM 160 C ALA A 218 8.682 -13.747 -4.777 1.00 0.00 C ATOM 161 O ALA A 218 8.049 -14.522 -5.493 1.00 0.00 O ATOM 162 CB ALA A 218 10.793 -14.484 -3.657 1.00 0.00 C ATOM 0 H ALA A 218 11.092 -12.034 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 218 10.525 -14.173 -5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.419 -15.508 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 218 11.880 -14.493 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.502 -14.010 -2.720 1.00 0.00 H new ATOM 168 N PHE A 219 8.099 -12.907 -3.927 1.00 0.00 N ATOM 169 CA PHE A 219 6.649 -12.849 -3.785 1.00 0.00 C ATOM 170 C PHE A 219 6.110 -11.501 -4.256 1.00 0.00 C ATOM 171 O PHE A 219 6.511 -10.450 -3.755 1.00 0.00 O ATOM 172 CB PHE A 219 6.248 -13.090 -2.328 1.00 0.00 C ATOM 173 CG PHE A 219 6.599 -14.463 -1.829 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.839 -14.713 -1.264 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.688 -15.503 -1.925 1.00 0.00 C ATOM 176 CE1 PHE A 219 8.164 -15.975 -0.805 1.00 0.00 C ATOM 177 CE2 PHE A 219 6.008 -16.767 -1.467 1.00 0.00 C ATOM 178 CZ PHE A 219 7.247 -17.003 -0.905 1.00 0.00 C ATOM 0 H PHE A 219 8.608 -12.258 -3.327 1.00 0.00 H new ATOM 0 HA PHE A 219 6.216 -13.632 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 219 6.736 -12.347 -1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.173 -12.938 -2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.559 -13.913 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.717 -15.324 -2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 219 9.135 -16.158 -0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 219 5.290 -17.569 -1.549 1.00 0.00 H new ATOM 0 HZ PHE A 219 7.499 -17.989 -0.544 1.00 0.00 H new ATOM 188 N HIS A 220 5.198 -11.540 -5.222 1.00 0.00 N ATOM 189 CA HIS A 220 4.603 -10.323 -5.762 1.00 0.00 C ATOM 190 C HIS A 220 3.096 -10.304 -5.528 1.00 0.00 C ATOM 191 O HIS A 220 2.431 -11.335 -5.626 1.00 0.00 O ATOM 192 CB HIS A 220 4.900 -10.204 -7.257 1.00 0.00 C ATOM 193 CG HIS A 220 4.542 -11.431 -8.038 1.00 0.00 C ATOM 194 ND1 HIS A 220 5.474 -12.193 -8.711 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.346 -12.028 -8.249 1.00 0.00 C ATOM 196 CE1 HIS A 220 4.866 -13.205 -9.304 1.00 0.00 C ATOM 197 NE2 HIS A 220 3.574 -13.128 -9.039 1.00 0.00 N ATOM 0 H HIS A 220 4.855 -12.401 -5.647 1.00 0.00 H new ATOM 0 HA HIS A 220 5.044 -9.472 -5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.352 -9.353 -7.661 1.00 0.00 H new ATOM 0 HB3 HIS A 220 5.961 -9.993 -7.393 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.390 -11.700 -7.867 1.00 0.00 H new ATOM 0 HE1 HIS A 220 5.344 -13.966 -9.903 1.00 0.00 H new ATOM 0 HE2 HIS A 220 2.862 -13.780 -9.368 1.00 0.00 H new ATOM 205 N GLU A 221 2.564 -9.126 -5.217 1.00 0.00 N ATOM 206 CA GLU A 221 1.136 -8.975 -4.967 1.00 0.00 C ATOM 207 C GLU A 221 0.508 -8.006 -5.965 1.00 0.00 C ATOM 208 O GLU A 221 1.066 -6.947 -6.251 1.00 0.00 O ATOM 209 CB GLU A 221 0.894 -8.482 -3.539 1.00 0.00 C ATOM 210 CG GLU A 221 0.807 -9.601 -2.515 1.00 0.00 C ATOM 211 CD GLU A 221 -0.424 -10.466 -2.700 1.00 0.00 C ATOM 212 OE1 GLU A 221 -1.459 -9.937 -3.157 1.00 0.00 O ATOM 213 OE2 GLU A 221 -0.353 -11.673 -2.387 1.00 0.00 O ATOM 0 H GLU A 221 3.101 -8.263 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 221 0.667 -9.951 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.699 -7.804 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 221 -0.031 -7.906 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 221 1.698 -10.224 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 221 0.798 -9.172 -1.513 1.00 0.00 H new ATOM 220 N GLU A 222 -0.655 -8.378 -6.491 1.00 0.00 N ATOM 221 CA GLU A 222 -1.357 -7.542 -7.457 1.00 0.00 C ATOM 222 C GLU A 222 -2.855 -7.516 -7.167 1.00 0.00 C ATOM 223 O GLU A 222 -3.509 -8.559 -7.124 1.00 0.00 O ATOM 224 CB GLU A 222 -1.111 -8.051 -8.879 1.00 0.00 C ATOM 225 CG GLU A 222 -2.027 -7.425 -9.917 1.00 0.00 C ATOM 226 CD GLU A 222 -3.366 -8.130 -10.014 1.00 0.00 C ATOM 227 OE1 GLU A 222 -3.414 -9.237 -10.588 1.00 0.00 O ATOM 228 OE2 GLU A 222 -4.366 -7.573 -9.514 1.00 0.00 O ATOM 0 H GLU A 222 -1.130 -9.252 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.970 -6.527 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 222 -0.075 -7.851 -9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -1.242 -9.133 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -2.190 -6.377 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -1.537 -7.449 -10.890 1.00 0.00 H new ATOM 235 N PHE A 223 -3.393 -6.317 -6.968 1.00 0.00 N ATOM 236 CA PHE A 223 -4.813 -6.154 -6.681 1.00 0.00 C ATOM 237 C PHE A 223 -5.377 -4.932 -7.400 1.00 0.00 C ATOM 238 O PHE A 223 -4.659 -3.969 -7.667 1.00 0.00 O ATOM 239 CB PHE A 223 -5.038 -6.022 -5.173 1.00 0.00 C ATOM 240 CG PHE A 223 -4.085 -5.072 -4.506 1.00 0.00 C ATOM 241 CD1 PHE A 223 -2.741 -5.388 -4.386 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.533 -3.863 -3.999 1.00 0.00 C ATOM 243 CE1 PHE A 223 -1.861 -4.516 -3.773 1.00 0.00 C ATOM 244 CE2 PHE A 223 -3.658 -2.986 -3.385 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.321 -3.314 -3.271 1.00 0.00 C ATOM 0 H PHE A 223 -2.867 -5.444 -7.000 1.00 0.00 H new ATOM 0 HA PHE A 223 -5.335 -7.039 -7.043 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -6.059 -5.685 -4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.941 -7.005 -4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.377 -6.327 -4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.578 -3.603 -4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -0.816 -4.774 -3.687 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -4.019 -2.046 -2.995 1.00 0.00 H new ATOM 0 HZ PHE A 223 -1.636 -2.631 -2.790 1.00 0.00 H new ATOM 255 N VAL A 224 -6.668 -4.980 -7.711 1.00 0.00 N ATOM 256 CA VAL A 224 -7.330 -3.877 -8.398 1.00 0.00 C ATOM 257 C VAL A 224 -8.198 -3.073 -7.438 1.00 0.00 C ATOM 258 O VAL A 224 -9.194 -3.574 -6.915 1.00 0.00 O ATOM 259 CB VAL A 224 -8.204 -4.385 -9.560 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.653 -3.225 -10.437 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.452 -5.422 -10.379 1.00 0.00 C ATOM 0 H VAL A 224 -7.276 -5.771 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.545 -3.235 -8.797 1.00 0.00 H new ATOM 0 HB VAL A 224 -9.092 -4.860 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.269 -3.603 -11.253 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.233 -2.521 -9.840 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.779 -2.719 -10.847 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -8.085 -5.770 -11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.545 -4.975 -10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -7.186 -6.265 -9.742 1.00 0.00 H new ATOM 271 N VAL A 225 -7.814 -1.821 -7.209 1.00 0.00 N ATOM 272 CA VAL A 225 -8.558 -0.945 -6.312 1.00 0.00 C ATOM 273 C VAL A 225 -9.498 -0.031 -7.090 1.00 0.00 C ATOM 274 O VAL A 225 -9.170 0.426 -8.185 1.00 0.00 O ATOM 275 CB VAL A 225 -7.611 -0.081 -5.458 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.360 1.100 -4.858 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.962 -0.920 -4.368 1.00 0.00 C ATOM 0 H VAL A 225 -6.992 -1.391 -7.632 1.00 0.00 H new ATOM 0 HA VAL A 225 -9.143 -1.589 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.823 0.309 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.675 1.699 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -8.773 1.714 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -9.170 0.734 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -6.296 -0.293 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.734 -1.341 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.390 -1.728 -4.823 1.00 0.00 H new ATOM 287 N ARG A 226 -10.669 0.231 -6.517 1.00 0.00 N ATOM 288 CA ARG A 226 -11.658 1.089 -7.158 1.00 0.00 C ATOM 289 C ARG A 226 -11.048 2.438 -7.529 1.00 0.00 C ATOM 290 O ARG A 226 -9.910 2.736 -7.167 1.00 0.00 O ATOM 291 CB ARG A 226 -12.859 1.298 -6.234 1.00 0.00 C ATOM 292 CG ARG A 226 -13.932 0.231 -6.380 1.00 0.00 C ATOM 293 CD ARG A 226 -14.803 0.481 -7.601 1.00 0.00 C ATOM 294 NE ARG A 226 -15.668 -0.657 -7.898 1.00 0.00 N ATOM 295 CZ ARG A 226 -16.768 -0.943 -7.211 1.00 0.00 C ATOM 296 NH1 ARG A 226 -17.135 -0.178 -6.192 1.00 0.00 N ATOM 297 NH2 ARG A 226 -17.504 -1.997 -7.542 1.00 0.00 N ATOM 0 H ARG A 226 -10.955 -0.139 -5.611 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.992 0.596 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.513 1.315 -5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.299 2.274 -6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -13.463 -0.750 -6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -14.554 0.214 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -15.415 1.368 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -14.168 0.689 -8.463 1.00 0.00 H new ATOM 0 HE ARG A 226 -15.414 -1.266 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -16.572 0.632 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -17.980 -0.400 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -17.225 -2.588 -8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -18.349 -2.216 -7.013 1.00 0.00 H new ATOM 311 N GLU A 227 -11.813 3.248 -8.255 1.00 0.00 N ATOM 312 CA GLU A 227 -11.346 4.563 -8.676 1.00 0.00 C ATOM 313 C GLU A 227 -11.732 5.630 -7.655 1.00 0.00 C ATOM 314 O GLU A 227 -11.173 6.727 -7.646 1.00 0.00 O ATOM 315 CB GLU A 227 -11.926 4.920 -10.046 1.00 0.00 C ATOM 316 CG GLU A 227 -11.546 3.939 -11.142 1.00 0.00 C ATOM 317 CD GLU A 227 -12.110 4.329 -12.495 1.00 0.00 C ATOM 318 OE1 GLU A 227 -11.612 5.312 -13.084 1.00 0.00 O ATOM 319 OE2 GLU A 227 -13.048 3.652 -12.965 1.00 0.00 O ATOM 0 H GLU A 227 -12.757 3.017 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 227 -10.259 4.529 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -13.012 4.965 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -11.585 5.916 -10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -10.460 3.878 -11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -11.905 2.945 -10.875 1.00 0.00 H new ATOM 326 N ASP A 228 -12.690 5.299 -6.796 1.00 0.00 N ATOM 327 CA ASP A 228 -13.151 6.227 -5.770 1.00 0.00 C ATOM 328 C ASP A 228 -12.561 5.870 -4.410 1.00 0.00 C ATOM 329 O ASP A 228 -12.698 6.623 -3.444 1.00 0.00 O ATOM 330 CB ASP A 228 -14.678 6.221 -5.695 1.00 0.00 C ATOM 331 CG ASP A 228 -15.221 7.341 -4.830 1.00 0.00 C ATOM 332 OD1 ASP A 228 -15.036 7.281 -3.597 1.00 0.00 O ATOM 333 OD2 ASP A 228 -15.830 8.279 -5.386 1.00 0.00 O ATOM 0 H ASP A 228 -13.162 4.395 -6.790 1.00 0.00 H new ATOM 0 HA ASP A 228 -12.813 7.227 -6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -15.088 6.311 -6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -15.015 5.264 -5.298 1.00 0.00 H new ATOM 338 N LEU A 229 -11.906 4.716 -4.339 1.00 0.00 N ATOM 339 CA LEU A 229 -11.295 4.258 -3.096 1.00 0.00 C ATOM 340 C LEU A 229 -9.793 4.522 -3.097 1.00 0.00 C ATOM 341 O LEU A 229 -9.109 4.278 -2.104 1.00 0.00 O ATOM 342 CB LEU A 229 -11.561 2.765 -2.895 1.00 0.00 C ATOM 343 CG LEU A 229 -12.990 2.385 -2.503 1.00 0.00 C ATOM 344 CD1 LEU A 229 -13.137 0.873 -2.425 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.369 3.029 -1.178 1.00 0.00 C ATOM 0 H LEU A 229 -11.784 4.081 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 229 -11.742 4.816 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -11.308 2.244 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -10.884 2.396 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.668 2.757 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -14.160 0.621 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -12.908 0.435 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.448 0.479 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.389 2.748 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.686 2.688 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.304 4.113 -1.269 1.00 0.00 H new ATOM 357 N MET A 230 -9.287 5.026 -4.218 1.00 0.00 N ATOM 358 CA MET A 230 -7.866 5.327 -4.347 1.00 0.00 C ATOM 359 C MET A 230 -7.422 6.321 -3.279 1.00 0.00 C ATOM 360 O MET A 230 -6.640 5.984 -2.390 1.00 0.00 O ATOM 361 CB MET A 230 -7.565 5.888 -5.738 1.00 0.00 C ATOM 362 CG MET A 230 -7.479 4.821 -6.818 1.00 0.00 C ATOM 363 SD MET A 230 -6.280 3.533 -6.427 1.00 0.00 S ATOM 364 CE MET A 230 -5.411 3.394 -7.987 1.00 0.00 C ATOM 0 H MET A 230 -9.840 5.234 -5.050 1.00 0.00 H new ATOM 0 HA MET A 230 -7.310 4.399 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.341 6.605 -6.008 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.623 6.436 -5.704 1.00 0.00 H new ATOM 0 HG2 MET A 230 -8.461 4.368 -6.955 1.00 0.00 H new ATOM 0 HG3 MET A 230 -7.208 5.289 -7.765 1.00 0.00 H new ATOM 0 HE1 MET A 230 -5.174 2.348 -8.179 1.00 0.00 H new ATOM 0 HE2 MET A 230 -6.041 3.777 -8.790 1.00 0.00 H new ATOM 0 HE3 MET A 230 -4.489 3.973 -7.943 1.00 0.00 H new ATOM 374 N GLY A 231 -7.926 7.548 -3.372 1.00 0.00 N ATOM 375 CA GLY A 231 -7.569 8.572 -2.407 1.00 0.00 C ATOM 376 C GLY A 231 -7.558 8.049 -0.984 1.00 0.00 C ATOM 377 O GLY A 231 -6.691 8.413 -0.188 1.00 0.00 O ATOM 0 H GLY A 231 -8.575 7.851 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -6.584 8.970 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -8.275 9.399 -2.481 1.00 0.00 H new ATOM 381 N LEU A 232 -8.522 7.194 -0.662 1.00 0.00 N ATOM 382 CA LEU A 232 -8.621 6.621 0.676 1.00 0.00 C ATOM 383 C LEU A 232 -7.435 5.706 0.965 1.00 0.00 C ATOM 384 O LEU A 232 -6.675 5.937 1.905 1.00 0.00 O ATOM 385 CB LEU A 232 -9.929 5.841 0.823 1.00 0.00 C ATOM 386 CG LEU A 232 -11.201 6.681 0.948 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.433 5.790 0.922 1.00 0.00 C ATOM 388 CD2 LEU A 232 -11.168 7.512 2.223 1.00 0.00 C ATOM 0 H LEU A 232 -9.246 6.882 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.610 7.439 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.035 5.183 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -9.851 5.203 1.703 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.251 7.360 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.329 6.405 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.464 5.239 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.391 5.086 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -12.081 8.103 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -11.094 6.851 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.305 8.178 2.201 1.00 0.00 H new ATOM 400 N ALA A 233 -7.283 4.668 0.150 1.00 0.00 N ATOM 401 CA ALA A 233 -6.187 3.721 0.316 1.00 0.00 C ATOM 402 C ALA A 233 -4.842 4.438 0.352 1.00 0.00 C ATOM 403 O ALA A 233 -4.027 4.205 1.246 1.00 0.00 O ATOM 404 CB ALA A 233 -6.207 2.689 -0.802 1.00 0.00 C ATOM 0 H ALA A 233 -7.905 4.461 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.323 3.211 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.383 1.988 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.152 2.147 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.100 3.192 -1.763 1.00 0.00 H new ATOM 410 N ILE A 234 -4.615 5.311 -0.624 1.00 0.00 N ATOM 411 CA ILE A 234 -3.369 6.062 -0.702 1.00 0.00 C ATOM 412 C ILE A 234 -3.231 7.023 0.474 1.00 0.00 C ATOM 413 O ILE A 234 -2.125 7.301 0.935 1.00 0.00 O ATOM 414 CB ILE A 234 -3.275 6.860 -2.016 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.532 5.944 -3.215 1.00 0.00 C ATOM 416 CG2 ILE A 234 -1.912 7.526 -2.134 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.158 6.566 -4.542 1.00 0.00 C ATOM 0 H ILE A 234 -5.278 5.515 -1.372 1.00 0.00 H new ATOM 0 HA ILE A 234 -2.559 5.333 -0.669 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.039 7.638 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.968 5.021 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.587 5.673 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -1.860 8.086 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -1.765 8.205 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.133 6.764 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.367 5.861 -5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -3.741 7.474 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.096 6.812 -4.542 1.00 0.00 H new ATOM 429 N GLY A 235 -4.363 7.525 0.957 1.00 0.00 N ATOM 430 CA GLY A 235 -4.348 8.448 2.077 1.00 0.00 C ATOM 431 C GLY A 235 -4.315 9.897 1.633 1.00 0.00 C ATOM 432 O GLY A 235 -4.783 10.233 0.545 1.00 0.00 O ATOM 0 H GLY A 235 -5.291 7.309 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.231 8.280 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -3.479 8.243 2.702 1.00 0.00 H new ATOM 436 N THR A 236 -3.761 10.761 2.479 1.00 0.00 N ATOM 437 CA THR A 236 -3.671 12.182 2.170 1.00 0.00 C ATOM 438 C THR A 236 -2.233 12.591 1.875 1.00 0.00 C ATOM 439 O THR A 236 -1.356 12.479 2.733 1.00 0.00 O ATOM 440 CB THR A 236 -4.210 13.044 3.328 1.00 0.00 C ATOM 441 OG1 THR A 236 -3.457 12.791 4.519 1.00 0.00 O ATOM 442 CG2 THR A 236 -5.682 12.751 3.581 1.00 0.00 C ATOM 0 H THR A 236 -3.368 10.500 3.384 1.00 0.00 H new ATOM 0 HA THR A 236 -4.283 12.352 1.284 1.00 0.00 H new ATOM 0 HB THR A 236 -4.107 14.093 3.049 1.00 0.00 H new ATOM 0 HG1 THR A 236 -2.548 12.514 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 236 -6.040 13.371 4.403 1.00 0.00 H new ATOM 0 HG22 THR A 236 -6.257 12.972 2.682 1.00 0.00 H new ATOM 0 HG23 THR A 236 -5.804 11.699 3.840 1.00 0.00 H new ATOM 450 N HIS A 237 -1.995 13.066 0.657 1.00 0.00 N ATOM 451 CA HIS A 237 -0.662 13.493 0.249 1.00 0.00 C ATOM 452 C HIS A 237 0.277 12.297 0.124 1.00 0.00 C ATOM 453 O HIS A 237 1.465 12.393 0.430 1.00 0.00 O ATOM 454 CB HIS A 237 -0.096 14.498 1.252 1.00 0.00 C ATOM 455 CG HIS A 237 1.035 15.316 0.709 1.00 0.00 C ATOM 456 ND1 HIS A 237 2.050 15.815 1.498 1.00 0.00 N ATOM 457 CD2 HIS A 237 1.309 15.719 -0.554 1.00 0.00 C ATOM 458 CE1 HIS A 237 2.898 16.491 0.744 1.00 0.00 C ATOM 459 NE2 HIS A 237 2.472 16.448 -0.505 1.00 0.00 N ATOM 0 H HIS A 237 -2.709 13.165 -0.065 1.00 0.00 H new ATOM 0 HA HIS A 237 -0.744 13.972 -0.727 1.00 0.00 H new ATOM 0 HB2 HIS A 237 -0.895 15.166 1.574 1.00 0.00 H new ATOM 0 HB3 HIS A 237 0.247 13.962 2.137 1.00 0.00 H new ATOM 0 HD2 HIS A 237 0.722 15.507 -1.436 1.00 0.00 H new ATOM 0 HE1 HIS A 237 3.789 16.994 1.090 1.00 0.00 H new ATOM 0 HE2 HIS A 237 2.932 16.885 -1.304 1.00 0.00 H new ATOM 467 N GLY A 238 -0.264 11.170 -0.327 1.00 0.00 N ATOM 468 CA GLY A 238 0.539 9.971 -0.483 1.00 0.00 C ATOM 469 C GLY A 238 1.178 9.528 0.818 1.00 0.00 C ATOM 470 O GLY A 238 2.403 9.472 0.928 1.00 0.00 O ATOM 0 H GLY A 238 -1.245 11.065 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.086 9.166 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.318 10.153 -1.223 1.00 0.00 H new ATOM 474 N SER A 239 0.347 9.214 1.807 1.00 0.00 N ATOM 475 CA SER A 239 0.838 8.779 3.109 1.00 0.00 C ATOM 476 C SER A 239 0.946 7.258 3.169 1.00 0.00 C ATOM 477 O SER A 239 2.002 6.712 3.485 1.00 0.00 O ATOM 478 CB SER A 239 -0.086 9.280 4.220 1.00 0.00 C ATOM 479 OG SER A 239 0.451 8.992 5.499 1.00 0.00 O ATOM 0 H SER A 239 -0.669 9.253 1.731 1.00 0.00 H new ATOM 0 HA SER A 239 1.832 9.202 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 239 -0.233 10.355 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.066 8.813 4.120 1.00 0.00 H new ATOM 0 HG SER A 239 -0.158 9.324 6.192 1.00 0.00 H new ATOM 485 N ASN A 240 -0.156 6.581 2.862 1.00 0.00 N ATOM 486 CA ASN A 240 -0.187 5.123 2.881 1.00 0.00 C ATOM 487 C ASN A 240 0.944 4.544 2.037 1.00 0.00 C ATOM 488 O ASN A 240 1.757 3.759 2.526 1.00 0.00 O ATOM 489 CB ASN A 240 -1.535 4.614 2.366 1.00 0.00 C ATOM 490 CG ASN A 240 -2.677 4.948 3.306 1.00 0.00 C ATOM 491 OD1 ASN A 240 -2.935 6.116 3.597 1.00 0.00 O ATOM 492 ND2 ASN A 240 -3.366 3.920 3.787 1.00 0.00 N ATOM 0 H ASN A 240 -1.039 7.018 2.597 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.052 4.795 3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -1.735 5.050 1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -1.484 3.534 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -4.145 4.082 4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.116 2.968 3.518 1.00 0.00 H new ATOM 499 N ILE A 241 0.990 4.937 0.769 1.00 0.00 N ATOM 500 CA ILE A 241 2.022 4.458 -0.142 1.00 0.00 C ATOM 501 C ILE A 241 3.402 4.533 0.503 1.00 0.00 C ATOM 502 O ILE A 241 4.186 3.588 0.423 1.00 0.00 O ATOM 503 CB ILE A 241 2.036 5.268 -1.452 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.839 4.886 -2.326 1.00 0.00 C ATOM 505 CG2 ILE A 241 3.340 5.039 -2.202 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.769 5.658 -3.625 1.00 0.00 C ATOM 0 H ILE A 241 0.325 5.586 0.349 1.00 0.00 H new ATOM 0 HA ILE A 241 1.785 3.419 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 241 1.961 6.328 -1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.887 3.820 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.080 5.053 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 241 3.335 5.618 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 241 4.178 5.355 -1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 241 3.443 3.980 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.104 5.336 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.689 6.724 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.671 5.472 -4.208 1.00 0.00 H new ATOM 518 N GLN A 242 3.690 5.661 1.143 1.00 0.00 N ATOM 519 CA GLN A 242 4.975 5.858 1.803 1.00 0.00 C ATOM 520 C GLN A 242 5.250 4.740 2.804 1.00 0.00 C ATOM 521 O GLN A 242 6.213 3.987 2.657 1.00 0.00 O ATOM 522 CB GLN A 242 5.006 7.212 2.513 1.00 0.00 C ATOM 523 CG GLN A 242 5.418 8.363 1.610 1.00 0.00 C ATOM 524 CD GLN A 242 6.919 8.576 1.584 1.00 0.00 C ATOM 525 OE1 GLN A 242 7.612 8.082 0.694 1.00 0.00 O ATOM 526 NE2 GLN A 242 7.430 9.314 2.562 1.00 0.00 N ATOM 0 H GLN A 242 3.051 6.453 1.219 1.00 0.00 H new ATOM 0 HA GLN A 242 5.753 5.838 1.040 1.00 0.00 H new ATOM 0 HB2 GLN A 242 4.018 7.420 2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 242 5.697 7.156 3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 242 5.065 8.170 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.931 9.278 1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 242 6.819 9.704 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 242 8.434 9.491 2.596 1.00 0.00 H new ATOM 535 N GLN A 243 4.399 4.639 3.819 1.00 0.00 N ATOM 536 CA GLN A 243 4.552 3.613 4.844 1.00 0.00 C ATOM 537 C GLN A 243 4.837 2.253 4.215 1.00 0.00 C ATOM 538 O GLN A 243 5.674 1.495 4.705 1.00 0.00 O ATOM 539 CB GLN A 243 3.292 3.534 5.708 1.00 0.00 C ATOM 540 CG GLN A 243 3.169 4.671 6.710 1.00 0.00 C ATOM 541 CD GLN A 243 4.153 4.548 7.856 1.00 0.00 C ATOM 542 OE1 GLN A 243 5.208 3.928 7.720 1.00 0.00 O ATOM 543 NE2 GLN A 243 3.812 5.139 8.995 1.00 0.00 N ATOM 0 H GLN A 243 3.597 5.254 3.954 1.00 0.00 H new ATOM 0 HA GLN A 243 5.399 3.887 5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 243 2.416 3.536 5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 243 3.289 2.586 6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.330 5.620 6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.154 4.691 7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 243 2.928 5.643 9.063 1.00 0.00 H new ATOM 0 HE22 GLN A 243 4.434 5.090 9.802 1.00 0.00 H new ATOM 552 N ALA A 244 4.136 1.951 3.127 1.00 0.00 N ATOM 553 CA ALA A 244 4.315 0.683 2.431 1.00 0.00 C ATOM 554 C ALA A 244 5.752 0.521 1.946 1.00 0.00 C ATOM 555 O ALA A 244 6.428 -0.448 2.292 1.00 0.00 O ATOM 556 CB ALA A 244 3.347 0.582 1.261 1.00 0.00 C ATOM 0 H ALA A 244 3.439 2.567 2.709 1.00 0.00 H new ATOM 0 HA ALA A 244 4.103 -0.122 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 244 3.492 -0.370 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 244 2.323 0.644 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 244 3.532 1.399 0.564 1.00 0.00 H new ATOM 562 N ARG A 245 6.212 1.476 1.144 1.00 0.00 N ATOM 563 CA ARG A 245 7.569 1.438 0.611 1.00 0.00 C ATOM 564 C ARG A 245 8.597 1.449 1.739 1.00 0.00 C ATOM 565 O ARG A 245 9.783 1.211 1.514 1.00 0.00 O ATOM 566 CB ARG A 245 7.806 2.626 -0.322 1.00 0.00 C ATOM 567 CG ARG A 245 7.265 2.415 -1.727 1.00 0.00 C ATOM 568 CD ARG A 245 7.103 3.734 -2.466 1.00 0.00 C ATOM 569 NE ARG A 245 6.446 3.561 -3.758 1.00 0.00 N ATOM 570 CZ ARG A 245 6.116 4.570 -4.556 1.00 0.00 C ATOM 571 NH1 ARG A 245 6.380 5.818 -4.196 1.00 0.00 N ATOM 572 NH2 ARG A 245 5.520 4.331 -5.718 1.00 0.00 N ATOM 0 H ARG A 245 5.665 2.285 0.849 1.00 0.00 H new ATOM 0 HA ARG A 245 7.685 0.513 0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 245 7.341 3.513 0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 245 8.876 2.824 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 245 7.940 1.765 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 245 6.303 1.905 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 245 6.522 4.423 -1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 245 8.082 4.188 -2.616 1.00 0.00 H new ATOM 0 HE ARG A 245 6.228 2.613 -4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 245 6.838 6.005 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 245 6.125 6.591 -4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 245 5.315 3.372 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 245 5.267 5.106 -6.330 1.00 0.00 H new ATOM 586 N LYS A 246 8.133 1.729 2.952 1.00 0.00 N ATOM 587 CA LYS A 246 9.010 1.771 4.116 1.00 0.00 C ATOM 588 C LYS A 246 8.944 0.462 4.896 1.00 0.00 C ATOM 589 O LYS A 246 9.401 0.382 6.036 1.00 0.00 O ATOM 590 CB LYS A 246 8.627 2.939 5.027 1.00 0.00 C ATOM 591 CG LYS A 246 8.925 4.302 4.427 1.00 0.00 C ATOM 592 CD LYS A 246 8.992 5.380 5.496 1.00 0.00 C ATOM 593 CE LYS A 246 7.605 5.871 5.881 1.00 0.00 C ATOM 594 NZ LYS A 246 7.665 7.076 6.753 1.00 0.00 N ATOM 0 H LYS A 246 7.154 1.930 3.155 1.00 0.00 H new ATOM 0 HA LYS A 246 10.032 1.912 3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 246 7.563 2.877 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 246 9.162 2.842 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 246 9.871 4.264 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 246 8.154 4.557 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 246 9.498 4.988 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 246 9.588 6.217 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 246 7.039 6.103 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 246 7.069 5.075 6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 6.700 7.379 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 8.183 6.848 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 8.154 7.844 6.251 1.00 0.00 H new ATOM 608 N VAL A 247 8.372 -0.564 4.273 1.00 0.00 N ATOM 609 CA VAL A 247 8.248 -1.871 4.907 1.00 0.00 C ATOM 610 C VAL A 247 9.410 -2.780 4.525 1.00 0.00 C ATOM 611 O VAL A 247 9.842 -2.825 3.372 1.00 0.00 O ATOM 612 CB VAL A 247 6.925 -2.558 4.523 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.855 -3.956 5.120 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.738 -1.718 4.971 1.00 0.00 C ATOM 0 H VAL A 247 7.987 -0.515 3.330 1.00 0.00 H new ATOM 0 HA VAL A 247 8.262 -1.703 5.984 1.00 0.00 H new ATOM 0 HB VAL A 247 6.886 -2.650 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.913 -4.425 4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.685 -4.554 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.917 -3.891 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.811 -2.219 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 247 5.770 -1.591 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.782 -0.741 4.490 1.00 0.00 H new ATOM 624 N PRO A 248 9.930 -3.523 5.513 1.00 0.00 N ATOM 625 CA PRO A 248 11.050 -4.447 5.303 1.00 0.00 C ATOM 626 C PRO A 248 10.653 -5.659 4.468 1.00 0.00 C ATOM 627 O PRO A 248 9.670 -6.336 4.766 1.00 0.00 O ATOM 628 CB PRO A 248 11.425 -4.876 6.724 1.00 0.00 C ATOM 629 CG PRO A 248 10.176 -4.698 7.516 1.00 0.00 C ATOM 630 CD PRO A 248 9.466 -3.520 6.910 1.00 0.00 C ATOM 0 HA PRO A 248 11.867 -3.980 4.754 1.00 0.00 H new ATOM 0 HB2 PRO A 248 11.765 -5.911 6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 248 12.236 -4.265 7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 248 9.555 -5.593 7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 248 10.403 -4.519 8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 248 8.383 -3.627 6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 248 9.725 -2.591 7.417 1.00 0.00 H new ATOM 638 N GLY A 249 11.425 -5.928 3.419 1.00 0.00 N ATOM 639 CA GLY A 249 11.137 -7.059 2.557 1.00 0.00 C ATOM 640 C GLY A 249 10.503 -6.641 1.245 1.00 0.00 C ATOM 641 O GLY A 249 10.301 -7.467 0.354 1.00 0.00 O ATOM 0 H GLY A 249 12.244 -5.383 3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 249 12.060 -7.602 2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.470 -7.747 3.076 1.00 0.00 H new ATOM 645 N VAL A 250 10.188 -5.356 1.125 1.00 0.00 N ATOM 646 CA VAL A 250 9.572 -4.830 -0.088 1.00 0.00 C ATOM 647 C VAL A 250 10.612 -4.185 -0.997 1.00 0.00 C ATOM 648 O VAL A 250 11.137 -3.113 -0.696 1.00 0.00 O ATOM 649 CB VAL A 250 8.480 -3.794 0.241 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.948 -3.157 -1.034 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.355 -4.440 1.034 1.00 0.00 C ATOM 0 H VAL A 250 10.349 -4.659 1.853 1.00 0.00 H new ATOM 0 HA VAL A 250 9.117 -5.675 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 250 8.921 -3.008 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 250 7.178 -2.428 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.763 -2.658 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.522 -3.928 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.593 -3.694 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.913 -5.246 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.752 -4.844 1.965 1.00 0.00 H new ATOM 661 N THR A 251 10.906 -4.846 -2.113 1.00 0.00 N ATOM 662 CA THR A 251 11.884 -4.338 -3.067 1.00 0.00 C ATOM 663 C THR A 251 11.412 -3.033 -3.696 1.00 0.00 C ATOM 664 O THR A 251 12.170 -2.069 -3.792 1.00 0.00 O ATOM 665 CB THR A 251 12.163 -5.362 -4.183 1.00 0.00 C ATOM 666 OG1 THR A 251 10.937 -5.746 -4.814 1.00 0.00 O ATOM 667 CG2 THR A 251 12.861 -6.593 -3.626 1.00 0.00 C ATOM 0 H THR A 251 10.480 -5.734 -2.378 1.00 0.00 H new ATOM 0 HA THR A 251 12.804 -4.157 -2.511 1.00 0.00 H new ATOM 0 HB THR A 251 12.818 -4.895 -4.919 1.00 0.00 H new ATOM 0 HG1 THR A 251 11.076 -5.821 -5.781 1.00 0.00 H new ATOM 0 HG21 THR A 251 13.048 -7.302 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.809 -6.301 -3.174 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.228 -7.060 -2.872 1.00 0.00 H new ATOM 675 N ALA A 252 10.153 -3.008 -4.123 1.00 0.00 N ATOM 676 CA ALA A 252 9.579 -1.819 -4.741 1.00 0.00 C ATOM 677 C ALA A 252 8.055 -1.880 -4.736 1.00 0.00 C ATOM 678 O ALA A 252 7.467 -2.935 -4.497 1.00 0.00 O ATOM 679 CB ALA A 252 10.098 -1.660 -6.162 1.00 0.00 C ATOM 0 H ALA A 252 9.511 -3.798 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 252 9.884 -0.952 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.661 -0.768 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.184 -1.563 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.822 -2.535 -6.750 1.00 0.00 H new ATOM 685 N ILE A 253 7.422 -0.742 -5.000 1.00 0.00 N ATOM 686 CA ILE A 253 5.966 -0.667 -5.026 1.00 0.00 C ATOM 687 C ILE A 253 5.482 0.206 -6.179 1.00 0.00 C ATOM 688 O ILE A 253 5.593 1.431 -6.132 1.00 0.00 O ATOM 689 CB ILE A 253 5.408 -0.109 -3.704 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.511 -1.160 -2.597 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.964 0.338 -3.885 1.00 0.00 C ATOM 692 CD1 ILE A 253 5.200 -0.619 -1.219 1.00 0.00 C ATOM 0 H ILE A 253 7.894 0.140 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 253 5.599 -1.684 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 253 6.002 0.757 -3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 253 4.827 -1.979 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.518 -1.577 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.584 0.730 -2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.917 1.116 -4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.356 -0.512 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.293 -1.419 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.900 0.180 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 253 4.183 -0.228 -1.203 1.00 0.00 H new ATOM 704 N GLU A 254 4.942 -0.433 -7.212 1.00 0.00 N ATOM 705 CA GLU A 254 4.440 0.286 -8.376 1.00 0.00 C ATOM 706 C GLU A 254 2.915 0.234 -8.432 1.00 0.00 C ATOM 707 O GLU A 254 2.297 -0.709 -7.937 1.00 0.00 O ATOM 708 CB GLU A 254 5.028 -0.303 -9.660 1.00 0.00 C ATOM 709 CG GLU A 254 6.371 0.296 -10.045 1.00 0.00 C ATOM 710 CD GLU A 254 6.632 0.231 -11.537 1.00 0.00 C ATOM 711 OE1 GLU A 254 6.395 -0.839 -12.136 1.00 0.00 O ATOM 712 OE2 GLU A 254 7.075 1.251 -12.106 1.00 0.00 O ATOM 0 H GLU A 254 4.841 -1.447 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 254 4.748 1.328 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 254 5.142 -1.380 -9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.323 -0.148 -10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 254 6.408 1.335 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 254 7.165 -0.233 -9.518 1.00 0.00 H new ATOM 719 N LEU A 255 2.316 1.254 -9.036 1.00 0.00 N ATOM 720 CA LEU A 255 0.864 1.327 -9.156 1.00 0.00 C ATOM 721 C LEU A 255 0.456 1.813 -10.543 1.00 0.00 C ATOM 722 O LEU A 255 1.192 2.558 -11.192 1.00 0.00 O ATOM 723 CB LEU A 255 0.290 2.258 -8.087 1.00 0.00 C ATOM 724 CG LEU A 255 -1.075 2.874 -8.397 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.174 1.831 -8.264 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.347 4.057 -7.479 1.00 0.00 C ATOM 0 H LEU A 255 2.813 2.042 -9.450 1.00 0.00 H new ATOM 0 HA LEU A 255 0.461 0.325 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.212 1.702 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 255 1.001 3.066 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 255 -1.065 3.233 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -3.138 2.288 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -1.988 1.015 -8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.185 1.442 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.322 4.483 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.337 3.722 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.576 4.814 -7.623 1.00 0.00 H new ATOM 738 N ASP A 256 -0.720 1.389 -10.991 1.00 0.00 N ATOM 739 CA ASP A 256 -1.228 1.785 -12.299 1.00 0.00 C ATOM 740 C ASP A 256 -2.458 2.676 -12.158 1.00 0.00 C ATOM 741 O ASP A 256 -3.440 2.299 -11.520 1.00 0.00 O ATOM 742 CB ASP A 256 -1.572 0.548 -13.131 1.00 0.00 C ATOM 743 CG ASP A 256 -1.436 0.796 -14.621 1.00 0.00 C ATOM 744 OD1 ASP A 256 -2.264 1.550 -15.174 1.00 0.00 O ATOM 745 OD2 ASP A 256 -0.503 0.236 -15.233 1.00 0.00 O ATOM 0 H ASP A 256 -1.340 0.771 -10.468 1.00 0.00 H new ATOM 0 HA ASP A 256 -0.448 2.351 -12.808 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -0.918 -0.274 -12.841 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -2.593 0.237 -12.909 1.00 0.00 H new ATOM 750 N GLU A 257 -2.396 3.861 -12.758 1.00 0.00 N ATOM 751 CA GLU A 257 -3.504 4.807 -12.697 1.00 0.00 C ATOM 752 C GLU A 257 -4.476 4.581 -13.851 1.00 0.00 C ATOM 753 O GLU A 257 -5.630 5.007 -13.798 1.00 0.00 O ATOM 754 CB GLU A 257 -2.980 6.244 -12.732 1.00 0.00 C ATOM 755 CG GLU A 257 -2.303 6.676 -11.442 1.00 0.00 C ATOM 756 CD GLU A 257 -2.183 8.183 -11.322 1.00 0.00 C ATOM 757 OE1 GLU A 257 -3.132 8.816 -10.813 1.00 0.00 O ATOM 758 OE2 GLU A 257 -1.140 8.730 -11.739 1.00 0.00 O ATOM 0 H GLU A 257 -1.591 4.188 -13.291 1.00 0.00 H new ATOM 0 HA GLU A 257 -4.035 4.644 -11.759 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -2.272 6.344 -13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.810 6.919 -12.941 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -2.868 6.292 -10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.309 6.231 -11.391 1.00 0.00 H new ATOM 765 N ASP A 258 -4.002 3.908 -14.893 1.00 0.00 N ATOM 766 CA ASP A 258 -4.828 3.624 -16.061 1.00 0.00 C ATOM 767 C ASP A 258 -5.744 2.432 -15.801 1.00 0.00 C ATOM 768 O ASP A 258 -6.820 2.321 -16.390 1.00 0.00 O ATOM 769 CB ASP A 258 -3.948 3.350 -17.281 1.00 0.00 C ATOM 770 CG ASP A 258 -3.428 4.624 -17.918 1.00 0.00 C ATOM 771 OD1 ASP A 258 -2.738 5.396 -17.221 1.00 0.00 O ATOM 772 OD2 ASP A 258 -3.712 4.849 -19.113 1.00 0.00 O ATOM 0 H ASP A 258 -3.049 3.548 -14.953 1.00 0.00 H new ATOM 0 HA ASP A 258 -5.447 4.499 -16.259 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -3.105 2.725 -16.985 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -4.519 2.786 -18.018 1.00 0.00 H new ATOM 777 N THR A 259 -5.310 1.540 -14.916 1.00 0.00 N ATOM 778 CA THR A 259 -6.089 0.355 -14.580 1.00 0.00 C ATOM 779 C THR A 259 -6.400 0.306 -13.088 1.00 0.00 C ATOM 780 O THR A 259 -7.253 -0.463 -12.647 1.00 0.00 O ATOM 781 CB THR A 259 -5.351 -0.936 -14.982 1.00 0.00 C ATOM 782 OG1 THR A 259 -4.062 -0.977 -14.359 1.00 0.00 O ATOM 783 CG2 THR A 259 -5.192 -1.021 -16.492 1.00 0.00 C ATOM 0 H THR A 259 -4.423 1.616 -14.419 1.00 0.00 H new ATOM 0 HA THR A 259 -7.021 0.421 -15.141 1.00 0.00 H new ATOM 0 HB THR A 259 -5.944 -1.787 -14.647 1.00 0.00 H new ATOM 0 HG1 THR A 259 -3.600 -1.801 -14.618 1.00 0.00 H new ATOM 0 HG21 THR A 259 -4.668 -1.941 -16.751 1.00 0.00 H new ATOM 0 HG22 THR A 259 -6.175 -1.018 -16.962 1.00 0.00 H new ATOM 0 HG23 THR A 259 -4.618 -0.165 -16.846 1.00 0.00 H new ATOM 791 N GLY A 260 -5.702 1.132 -12.316 1.00 0.00 N ATOM 792 CA GLY A 260 -5.918 1.167 -10.881 1.00 0.00 C ATOM 793 C GLY A 260 -5.494 -0.118 -10.199 1.00 0.00 C ATOM 794 O GLY A 260 -6.208 -0.640 -9.341 1.00 0.00 O ATOM 0 H GLY A 260 -4.991 1.778 -12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.363 2.002 -10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.974 1.350 -10.680 1.00 0.00 H new ATOM 798 N THR A 261 -4.330 -0.634 -10.582 1.00 0.00 N ATOM 799 CA THR A 261 -3.814 -1.868 -10.004 1.00 0.00 C ATOM 800 C THR A 261 -2.527 -1.615 -9.227 1.00 0.00 C ATOM 801 O THR A 261 -1.555 -1.089 -9.771 1.00 0.00 O ATOM 802 CB THR A 261 -3.545 -2.927 -11.089 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.771 -3.288 -11.736 1.00 0.00 O ATOM 804 CG2 THR A 261 -2.899 -4.166 -10.488 1.00 0.00 C ATOM 0 H THR A 261 -3.727 -0.216 -11.290 1.00 0.00 H new ATOM 0 HA THR A 261 -4.579 -2.242 -9.323 1.00 0.00 H new ATOM 0 HB THR A 261 -2.860 -2.499 -11.821 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.591 -3.961 -12.426 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.719 -4.900 -11.274 1.00 0.00 H new ATOM 0 HG22 THR A 261 -1.952 -3.893 -10.022 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.563 -4.594 -9.737 1.00 0.00 H new ATOM 812 N PHE A 262 -2.526 -1.992 -7.953 1.00 0.00 N ATOM 813 CA PHE A 262 -1.357 -1.806 -7.101 1.00 0.00 C ATOM 814 C PHE A 262 -0.454 -3.035 -7.140 1.00 0.00 C ATOM 815 O PHE A 262 -0.835 -4.113 -6.683 1.00 0.00 O ATOM 816 CB PHE A 262 -1.790 -1.522 -5.661 1.00 0.00 C ATOM 817 CG PHE A 262 -1.983 -0.061 -5.370 1.00 0.00 C ATOM 818 CD1 PHE A 262 -0.893 0.761 -5.130 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.253 0.491 -5.338 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.068 2.106 -4.862 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.434 1.835 -5.070 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.340 2.643 -4.833 1.00 0.00 C ATOM 0 H PHE A 262 -3.322 -2.428 -7.487 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.795 -0.952 -7.479 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.722 -2.051 -5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -1.041 -1.924 -4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 262 0.104 0.346 -5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.112 -0.136 -5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.211 2.736 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.430 2.252 -5.046 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.479 3.694 -4.625 1.00 0.00 H new ATOM 832 N ARG A 263 0.744 -2.865 -7.688 1.00 0.00 N ATOM 833 CA ARG A 263 1.701 -3.960 -7.789 1.00 0.00 C ATOM 834 C ARG A 263 2.810 -3.809 -6.752 1.00 0.00 C ATOM 835 O ARG A 263 3.589 -2.857 -6.795 1.00 0.00 O ATOM 836 CB ARG A 263 2.305 -4.010 -9.193 1.00 0.00 C ATOM 837 CG ARG A 263 1.387 -4.637 -10.229 1.00 0.00 C ATOM 838 CD ARG A 263 1.777 -4.227 -11.641 1.00 0.00 C ATOM 839 NE ARG A 263 1.217 -5.126 -12.646 1.00 0.00 N ATOM 840 CZ ARG A 263 1.683 -5.224 -13.886 1.00 0.00 C ATOM 841 NH1 ARG A 263 2.712 -4.482 -14.271 1.00 0.00 N ATOM 842 NH2 ARG A 263 1.119 -6.065 -14.744 1.00 0.00 N ATOM 0 H ARG A 263 1.075 -1.979 -8.069 1.00 0.00 H new ATOM 0 HA ARG A 263 1.170 -4.892 -7.596 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.556 -2.997 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.238 -4.573 -9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.425 -5.723 -10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.357 -4.337 -10.033 1.00 0.00 H new ATOM 0 HD2 ARG A 263 1.432 -3.211 -11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 263 2.863 -4.217 -11.729 1.00 0.00 H new ATOM 0 HE ARG A 263 0.424 -5.711 -12.381 1.00 0.00 H new ATOM 0 HH11 ARG A 263 3.148 -3.834 -13.614 1.00 0.00 H new ATOM 0 HH12 ARG A 263 3.068 -4.559 -15.224 1.00 0.00 H new ATOM 0 HH21 ARG A 263 0.327 -6.637 -14.451 1.00 0.00 H new ATOM 0 HH22 ARG A 263 1.478 -6.139 -15.696 1.00 0.00 H new ATOM 856 N ILE A 264 2.875 -4.755 -5.821 1.00 0.00 N ATOM 857 CA ILE A 264 3.888 -4.728 -4.774 1.00 0.00 C ATOM 858 C ILE A 264 4.937 -5.813 -4.994 1.00 0.00 C ATOM 859 O ILE A 264 4.612 -6.933 -5.390 1.00 0.00 O ATOM 860 CB ILE A 264 3.262 -4.911 -3.379 1.00 0.00 C ATOM 861 CG1 ILE A 264 2.136 -3.897 -3.164 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.324 -4.770 -2.298 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.358 -4.120 -1.886 1.00 0.00 C ATOM 0 H ILE A 264 2.238 -5.550 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 264 4.365 -3.749 -4.824 1.00 0.00 H new ATOM 0 HB ILE A 264 2.839 -5.914 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.560 -2.893 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.450 -3.943 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.865 -4.902 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.094 -5.528 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.774 -3.779 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.577 -3.365 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 264 0.905 -5.111 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 264 2.031 -4.045 -1.032 1.00 0.00 H new ATOM 875 N TYR A 265 6.194 -5.475 -4.734 1.00 0.00 N ATOM 876 CA TYR A 265 7.291 -6.420 -4.905 1.00 0.00 C ATOM 877 C TYR A 265 8.042 -6.627 -3.593 1.00 0.00 C ATOM 878 O TYR A 265 8.555 -5.678 -3.002 1.00 0.00 O ATOM 879 CB TYR A 265 8.256 -5.925 -5.984 1.00 0.00 C ATOM 880 CG TYR A 265 7.610 -5.754 -7.341 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.447 -6.838 -8.196 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.163 -4.510 -7.768 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.859 -6.686 -9.436 1.00 0.00 C ATOM 884 CE2 TYR A 265 6.572 -4.349 -9.006 1.00 0.00 C ATOM 885 CZ TYR A 265 6.423 -5.440 -9.837 1.00 0.00 C ATOM 886 OH TYR A 265 5.835 -5.286 -11.072 1.00 0.00 O ATOM 0 H TYR A 265 6.479 -4.553 -4.404 1.00 0.00 H new ATOM 0 HA TYR A 265 6.868 -7.375 -5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.681 -4.971 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.083 -6.629 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 265 7.786 -7.815 -7.885 1.00 0.00 H new ATOM 0 HD2 TYR A 265 7.280 -3.654 -7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 265 6.741 -7.538 -10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 265 6.229 -3.375 -9.322 1.00 0.00 H new ATOM 0 HH TYR A 265 5.584 -4.347 -11.200 1.00 0.00 H new ATOM 896 N GLY A 266 8.102 -7.877 -3.144 1.00 0.00 N ATOM 897 CA GLY A 266 8.791 -8.188 -1.905 1.00 0.00 C ATOM 898 C GLY A 266 9.516 -9.518 -1.963 1.00 0.00 C ATOM 899 O GLY A 266 9.122 -10.414 -2.708 1.00 0.00 O ATOM 0 H GLY A 266 7.686 -8.680 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.507 -7.397 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 266 8.071 -8.206 -1.087 1.00 0.00 H new ATOM 903 N GLU A 267 10.580 -9.645 -1.176 1.00 0.00 N ATOM 904 CA GLU A 267 11.363 -10.875 -1.144 1.00 0.00 C ATOM 905 C GLU A 267 10.593 -11.991 -0.445 1.00 0.00 C ATOM 906 O GLU A 267 10.707 -13.161 -0.811 1.00 0.00 O ATOM 907 CB GLU A 267 12.697 -10.638 -0.433 1.00 0.00 C ATOM 908 CG GLU A 267 13.777 -10.072 -1.339 1.00 0.00 C ATOM 909 CD GLU A 267 15.149 -10.093 -0.695 1.00 0.00 C ATOM 910 OE1 GLU A 267 15.713 -11.196 -0.535 1.00 0.00 O ATOM 911 OE2 GLU A 267 15.660 -9.006 -0.350 1.00 0.00 O ATOM 0 H GLU A 267 10.919 -8.912 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 267 11.557 -11.179 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.538 -9.954 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 267 13.046 -11.580 -0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 267 13.806 -10.645 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.521 -9.047 -1.606 1.00 0.00 H new ATOM 918 N SER A 268 9.809 -11.621 0.563 1.00 0.00 N ATOM 919 CA SER A 268 9.023 -12.591 1.316 1.00 0.00 C ATOM 920 C SER A 268 7.549 -12.198 1.337 1.00 0.00 C ATOM 921 O SER A 268 7.206 -11.049 1.613 1.00 0.00 O ATOM 922 CB SER A 268 9.552 -12.706 2.747 1.00 0.00 C ATOM 923 OG SER A 268 9.685 -11.428 3.346 1.00 0.00 O ATOM 0 H SER A 268 9.701 -10.656 0.877 1.00 0.00 H new ATOM 0 HA SER A 268 9.116 -13.558 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 268 8.875 -13.320 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 268 10.518 -13.211 2.741 1.00 0.00 H new ATOM 0 HG SER A 268 10.023 -11.529 4.260 1.00 0.00 H new ATOM 929 N ALA A 269 6.682 -13.161 1.042 1.00 0.00 N ATOM 930 CA ALA A 269 5.245 -12.917 1.028 1.00 0.00 C ATOM 931 C ALA A 269 4.820 -12.075 2.226 1.00 0.00 C ATOM 932 O ALA A 269 3.866 -11.301 2.145 1.00 0.00 O ATOM 933 CB ALA A 269 4.487 -14.236 1.011 1.00 0.00 C ATOM 0 H ALA A 269 6.950 -14.117 0.810 1.00 0.00 H new ATOM 0 HA ALA A 269 5.004 -12.360 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.415 -14.039 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.761 -14.802 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.741 -14.813 1.900 1.00 0.00 H new ATOM 939 N ASP A 270 5.532 -12.232 3.336 1.00 0.00 N ATOM 940 CA ASP A 270 5.228 -11.485 4.551 1.00 0.00 C ATOM 941 C ASP A 270 5.395 -9.986 4.324 1.00 0.00 C ATOM 942 O ASP A 270 4.563 -9.187 4.752 1.00 0.00 O ATOM 943 CB ASP A 270 6.131 -11.944 5.697 1.00 0.00 C ATOM 944 CG ASP A 270 5.545 -13.112 6.465 1.00 0.00 C ATOM 945 OD1 ASP A 270 5.144 -14.103 5.821 1.00 0.00 O ATOM 946 OD2 ASP A 270 5.486 -13.034 7.710 1.00 0.00 O ATOM 0 H ASP A 270 6.324 -12.870 3.420 1.00 0.00 H new ATOM 0 HA ASP A 270 4.189 -11.680 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 270 7.104 -12.228 5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 270 6.298 -11.111 6.380 1.00 0.00 H new ATOM 951 N ALA A 271 6.477 -9.612 3.649 1.00 0.00 N ATOM 952 CA ALA A 271 6.753 -8.209 3.364 1.00 0.00 C ATOM 953 C ALA A 271 5.636 -7.588 2.533 1.00 0.00 C ATOM 954 O ALA A 271 4.941 -6.679 2.988 1.00 0.00 O ATOM 955 CB ALA A 271 8.087 -8.069 2.647 1.00 0.00 C ATOM 0 H ALA A 271 7.177 -10.261 3.289 1.00 0.00 H new ATOM 0 HA ALA A 271 6.805 -7.674 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 271 8.280 -7.016 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.882 -8.467 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 271 8.056 -8.623 1.709 1.00 0.00 H new ATOM 961 N VAL A 272 5.468 -8.083 1.310 1.00 0.00 N ATOM 962 CA VAL A 272 4.435 -7.576 0.415 1.00 0.00 C ATOM 963 C VAL A 272 3.068 -7.588 1.091 1.00 0.00 C ATOM 964 O VAL A 272 2.280 -6.654 0.940 1.00 0.00 O ATOM 965 CB VAL A 272 4.361 -8.404 -0.882 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.370 -7.893 -1.899 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.588 -9.878 -0.586 1.00 0.00 C ATOM 0 H VAL A 272 6.034 -8.835 0.917 1.00 0.00 H new ATOM 0 HA VAL A 272 4.706 -6.550 0.168 1.00 0.00 H new ATOM 0 HB VAL A 272 3.364 -8.293 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.304 -8.490 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.155 -6.850 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.375 -7.972 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.532 -10.448 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.572 -10.012 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.823 -10.233 0.104 1.00 0.00 H new ATOM 977 N LYS A 273 2.793 -8.651 1.839 1.00 0.00 N ATOM 978 CA LYS A 273 1.522 -8.785 2.541 1.00 0.00 C ATOM 979 C LYS A 273 1.317 -7.634 3.520 1.00 0.00 C ATOM 980 O LYS A 273 0.314 -6.923 3.458 1.00 0.00 O ATOM 981 CB LYS A 273 1.468 -10.120 3.288 1.00 0.00 C ATOM 982 CG LYS A 273 1.000 -11.280 2.427 1.00 0.00 C ATOM 983 CD LYS A 273 1.113 -12.604 3.165 1.00 0.00 C ATOM 984 CE LYS A 273 0.082 -13.607 2.672 1.00 0.00 C ATOM 985 NZ LYS A 273 0.408 -14.113 1.310 1.00 0.00 N ATOM 0 H LYS A 273 3.434 -9.433 1.975 1.00 0.00 H new ATOM 0 HA LYS A 273 0.722 -8.756 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.459 -10.347 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.800 -10.021 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -0.035 -11.117 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.594 -11.319 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 273 2.114 -13.013 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 273 0.979 -12.438 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 273 0.029 -14.445 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -0.903 -13.140 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -0.318 -14.794 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 0.434 -13.317 0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 1.336 -14.582 1.327 1.00 0.00 H new ATOM 999 N LYS A 274 2.275 -7.454 4.424 1.00 0.00 N ATOM 1000 CA LYS A 274 2.202 -6.387 5.415 1.00 0.00 C ATOM 1001 C LYS A 274 2.100 -5.023 4.739 1.00 0.00 C ATOM 1002 O LYS A 274 1.329 -4.164 5.167 1.00 0.00 O ATOM 1003 CB LYS A 274 3.430 -6.425 6.327 1.00 0.00 C ATOM 1004 CG LYS A 274 3.162 -5.905 7.729 1.00 0.00 C ATOM 1005 CD LYS A 274 4.446 -5.786 8.534 1.00 0.00 C ATOM 1006 CE LYS A 274 5.088 -4.418 8.361 1.00 0.00 C ATOM 1007 NZ LYS A 274 4.540 -3.423 9.325 1.00 0.00 N ATOM 0 H LYS A 274 3.111 -8.034 4.490 1.00 0.00 H new ATOM 0 HA LYS A 274 1.306 -6.544 6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.792 -7.451 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 274 4.226 -5.834 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.677 -4.931 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 274 2.471 -6.575 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.232 -5.958 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 274 5.146 -6.560 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 274 6.166 -4.502 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 274 4.924 -4.066 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 5.002 -2.504 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 3.515 -3.323 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 4.719 -3.746 10.297 1.00 0.00 H new ATOM 1021 N ALA A 275 2.880 -4.832 3.681 1.00 0.00 N ATOM 1022 CA ALA A 275 2.875 -3.574 2.944 1.00 0.00 C ATOM 1023 C ALA A 275 1.590 -3.415 2.138 1.00 0.00 C ATOM 1024 O ALA A 275 1.182 -2.300 1.815 1.00 0.00 O ATOM 1025 CB ALA A 275 4.087 -3.492 2.029 1.00 0.00 C ATOM 0 H ALA A 275 3.524 -5.533 3.314 1.00 0.00 H new ATOM 0 HA ALA A 275 2.924 -2.759 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 275 4.069 -2.547 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.998 -3.551 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 275 4.064 -4.319 1.320 1.00 0.00 H new ATOM 1031 N ARG A 276 0.957 -4.539 1.816 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.281 -4.524 1.046 1.00 0.00 C ATOM 1033 C ARG A 276 -1.422 -3.922 1.861 1.00 0.00 C ATOM 1034 O ARG A 276 -2.187 -3.098 1.363 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.649 -5.941 0.604 1.00 0.00 C ATOM 1036 CG ARG A 276 -1.963 -6.021 -0.155 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.020 -7.254 -1.043 1.00 0.00 C ATOM 1038 NE ARG A 276 -3.390 -7.715 -1.253 1.00 0.00 N ATOM 1039 CZ ARG A 276 -4.089 -8.380 -0.340 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -3.551 -8.660 0.838 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -5.331 -8.766 -0.606 1.00 0.00 N ATOM 0 H ARG A 276 1.281 -5.471 2.076 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.122 -3.905 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 276 0.149 -6.335 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.707 -6.583 1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -2.792 -6.042 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.087 -5.126 -0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -1.562 -7.029 -2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -1.434 -8.054 -0.591 1.00 0.00 H new ATOM 0 HE ARG A 276 -3.834 -7.515 -2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -2.597 -8.365 1.046 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -4.091 -9.171 1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -5.749 -8.552 -1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -5.868 -9.277 0.095 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.529 -4.341 3.119 1.00 0.00 N ATOM 1056 CA GLY A 277 -2.579 -3.834 3.983 1.00 0.00 C ATOM 1057 C GLY A 277 -2.676 -2.322 3.951 1.00 0.00 C ATOM 1058 O GLY A 277 -3.746 -1.756 4.179 1.00 0.00 O ATOM 0 H GLY A 277 -0.907 -5.022 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.534 -4.263 3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.393 -4.162 5.006 1.00 0.00 H new ATOM 1062 N PHE A 278 -1.557 -1.664 3.668 1.00 0.00 N ATOM 1063 CA PHE A 278 -1.519 -0.208 3.610 1.00 0.00 C ATOM 1064 C PHE A 278 -2.097 0.299 2.291 1.00 0.00 C ATOM 1065 O PHE A 278 -2.767 1.331 2.250 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.084 0.294 3.776 1.00 0.00 C ATOM 1067 CG PHE A 278 0.478 0.059 5.149 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -0.228 0.449 6.276 1.00 0.00 C ATOM 1069 CD2 PHE A 278 1.711 -0.551 5.313 1.00 0.00 C ATOM 1070 CE1 PHE A 278 0.287 0.235 7.541 1.00 0.00 C ATOM 1071 CE2 PHE A 278 2.231 -0.768 6.575 1.00 0.00 C ATOM 1072 CZ PHE A 278 1.517 -0.375 7.691 1.00 0.00 C ATOM 0 H PHE A 278 -0.664 -2.117 3.475 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.128 0.178 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 278 0.553 -0.200 3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.053 1.361 3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.191 0.925 6.165 1.00 0.00 H new ATOM 0 HD2 PHE A 278 2.273 -0.861 4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -0.272 0.545 8.411 1.00 0.00 H new ATOM 0 HE2 PHE A 278 3.194 -1.244 6.689 1.00 0.00 H new ATOM 0 HZ PHE A 278 1.920 -0.545 8.679 1.00 0.00 H new ATOM 1082 N LEU A 279 -1.833 -0.435 1.216 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.326 -0.061 -0.105 1.00 0.00 C ATOM 1084 C LEU A 279 -3.712 -0.646 -0.355 1.00 0.00 C ATOM 1085 O LEU A 279 -4.405 -0.247 -1.290 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.356 -0.539 -1.187 1.00 0.00 C ATOM 1087 CG LEU A 279 0.039 0.086 -1.162 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.894 -0.470 -2.290 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.054 1.602 -1.258 1.00 0.00 C ATOM 0 H LEU A 279 -1.281 -1.292 1.233 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.398 1.026 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.249 -1.620 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -1.803 -0.341 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 279 0.514 -0.170 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.883 -0.013 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.989 -1.550 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 279 0.424 -0.246 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.948 2.030 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.549 1.878 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -0.628 1.985 -0.415 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.111 -1.592 0.489 1.00 0.00 N ATOM 1102 CA GLU A 280 -5.415 -2.231 0.360 1.00 0.00 C ATOM 1103 C GLU A 280 -6.532 -1.190 0.354 1.00 0.00 C ATOM 1104 O GLU A 280 -6.508 -0.233 1.127 1.00 0.00 O ATOM 1105 CB GLU A 280 -5.637 -3.225 1.502 1.00 0.00 C ATOM 1106 CG GLU A 280 -4.938 -4.558 1.292 1.00 0.00 C ATOM 1107 CD GLU A 280 -5.648 -5.704 1.986 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -6.821 -5.967 1.647 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -5.031 -6.339 2.867 1.00 0.00 O ATOM 0 H GLU A 280 -3.550 -1.933 1.270 1.00 0.00 H new ATOM 0 HA GLU A 280 -5.435 -2.768 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -5.283 -2.781 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -6.707 -3.399 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -4.876 -4.767 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -3.916 -4.490 1.664 1.00 0.00 H new