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 -95:sc= 1.09 USER MOD Set 1.2: A 261 THR OG1 : rot 180:sc= -0.514 USER MOD Set 2.1: A 236 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 237 HIS : no HE2:sc= -2.37 K(o=-2.4,f=-8.5!) USER MOD Single : A 220 HIS : no HD1:sc= -0.675 K(o=-0.68,f=-0.11) USER MOD Single : A 230 MET CE :methyl -153:sc= -2.06! (180deg=-3.56!) USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 240 ASN : amide:sc= -2.39 K(o=-2.4,f=-6!) USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 243 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 THR OG1 : rot -19:sc= -1.68 USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot 17:sc= 0.0156 USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 12.036 -9.697 -6.279 1.00 0.00 N ATOM 149 CA ALA A 217 11.271 -10.111 -5.110 1.00 0.00 C ATOM 150 C ALA A 217 10.689 -11.508 -5.301 1.00 0.00 C ATOM 151 O ALA A 217 9.847 -11.726 -6.171 1.00 0.00 O ATOM 152 CB ALA A 217 10.161 -9.110 -4.823 1.00 0.00 C ATOM 0 HA ALA A 217 11.948 -10.141 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.598 -9.432 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.596 -8.129 -4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.493 -9.051 -5.682 1.00 0.00 H new ATOM 158 N ALA A 218 11.145 -12.451 -4.482 1.00 0.00 N ATOM 159 CA ALA A 218 10.668 -13.826 -4.561 1.00 0.00 C ATOM 160 C ALA A 218 9.145 -13.882 -4.526 1.00 0.00 C ATOM 161 O ALA A 218 8.531 -14.746 -5.154 1.00 0.00 O ATOM 162 CB ALA A 218 11.255 -14.653 -3.427 1.00 0.00 C ATOM 0 H ALA A 218 11.844 -12.288 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 218 10.998 -14.245 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.891 -15.678 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.343 -14.649 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.953 -14.226 -2.471 1.00 0.00 H new ATOM 168 N PHE A 219 8.540 -12.957 -3.789 1.00 0.00 N ATOM 169 CA PHE A 219 7.087 -12.902 -3.672 1.00 0.00 C ATOM 170 C PHE A 219 6.548 -11.577 -4.202 1.00 0.00 C ATOM 171 O PHE A 219 6.936 -10.505 -3.736 1.00 0.00 O ATOM 172 CB PHE A 219 6.665 -13.091 -2.213 1.00 0.00 C ATOM 173 CG PHE A 219 6.846 -14.495 -1.713 1.00 0.00 C ATOM 174 CD1 PHE A 219 8.110 -14.984 -1.423 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.753 -15.327 -1.533 1.00 0.00 C ATOM 176 CE1 PHE A 219 8.280 -16.276 -0.963 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.917 -16.621 -1.073 1.00 0.00 C ATOM 178 CZ PHE A 219 7.182 -17.095 -0.787 1.00 0.00 C ATOM 0 H PHE A 219 9.033 -12.235 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 219 6.668 -13.710 -4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 219 7.243 -12.413 -1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.618 -12.808 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.972 -14.348 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.761 -14.961 -1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 219 9.271 -16.645 -0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 219 5.057 -17.260 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 219 7.313 -18.105 -0.426 1.00 0.00 H new ATOM 188 N HIS A 220 5.651 -11.659 -5.179 1.00 0.00 N ATOM 189 CA HIS A 220 5.058 -10.466 -5.774 1.00 0.00 C ATOM 190 C HIS A 220 3.540 -10.482 -5.623 1.00 0.00 C ATOM 191 O HIS A 220 2.925 -11.546 -5.549 1.00 0.00 O ATOM 192 CB HIS A 220 5.434 -10.367 -7.253 1.00 0.00 C ATOM 193 CG HIS A 220 4.843 -11.454 -8.096 1.00 0.00 C ATOM 194 ND1 HIS A 220 5.588 -12.489 -8.621 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.570 -11.666 -8.502 1.00 0.00 C ATOM 196 CE1 HIS A 220 4.799 -13.289 -9.316 1.00 0.00 C ATOM 197 NE2 HIS A 220 3.569 -12.812 -9.259 1.00 0.00 N ATOM 0 H HIS A 220 5.319 -12.538 -5.576 1.00 0.00 H new ATOM 0 HA HIS A 220 5.449 -9.595 -5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 220 5.107 -9.401 -7.639 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.520 -10.396 -7.346 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.714 -11.049 -8.273 1.00 0.00 H new ATOM 0 HE1 HIS A 220 5.107 -14.181 -9.841 1.00 0.00 H new ATOM 0 HE2 HIS A 220 2.751 -13.227 -9.705 1.00 0.00 H new ATOM 205 N GLU A 221 2.942 -9.295 -5.578 1.00 0.00 N ATOM 206 CA GLU A 221 1.496 -9.174 -5.434 1.00 0.00 C ATOM 207 C GLU A 221 0.921 -8.232 -6.488 1.00 0.00 C ATOM 208 O GLU A 221 1.609 -7.336 -6.975 1.00 0.00 O ATOM 209 CB GLU A 221 1.141 -8.669 -4.034 1.00 0.00 C ATOM 210 CG GLU A 221 1.621 -9.580 -2.918 1.00 0.00 C ATOM 211 CD GLU A 221 0.990 -9.246 -1.580 1.00 0.00 C ATOM 212 OE1 GLU A 221 0.986 -8.055 -1.206 1.00 0.00 O ATOM 213 OE2 GLU A 221 0.500 -10.177 -0.906 1.00 0.00 O ATOM 0 H GLU A 221 3.436 -8.405 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 221 1.058 -10.162 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.573 -7.678 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 221 0.059 -8.558 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 221 1.393 -10.614 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 221 2.705 -9.504 -2.833 1.00 0.00 H new ATOM 220 N GLU A 222 -0.345 -8.444 -6.835 1.00 0.00 N ATOM 221 CA GLU A 222 -1.011 -7.614 -7.833 1.00 0.00 C ATOM 222 C GLU A 222 -2.526 -7.670 -7.662 1.00 0.00 C ATOM 223 O GLU A 222 -3.139 -8.730 -7.795 1.00 0.00 O ATOM 224 CB GLU A 222 -0.629 -8.068 -9.243 1.00 0.00 C ATOM 225 CG GLU A 222 -1.352 -7.309 -10.343 1.00 0.00 C ATOM 226 CD GLU A 222 -2.669 -7.956 -10.729 1.00 0.00 C ATOM 227 OE1 GLU A 222 -2.720 -9.202 -10.800 1.00 0.00 O ATOM 228 OE2 GLU A 222 -3.648 -7.215 -10.958 1.00 0.00 O ATOM 0 H GLU A 222 -0.929 -9.182 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.684 -6.584 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 222 0.446 -7.947 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -0.845 -9.132 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -1.536 -6.287 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -0.709 -7.250 -11.221 1.00 0.00 H new ATOM 235 N PHE A 223 -3.125 -6.521 -7.365 1.00 0.00 N ATOM 236 CA PHE A 223 -4.568 -6.439 -7.174 1.00 0.00 C ATOM 237 C PHE A 223 -5.117 -5.131 -7.737 1.00 0.00 C ATOM 238 O PHE A 223 -4.461 -4.091 -7.675 1.00 0.00 O ATOM 239 CB PHE A 223 -4.915 -6.553 -5.688 1.00 0.00 C ATOM 240 CG PHE A 223 -4.113 -5.632 -4.813 1.00 0.00 C ATOM 241 CD1 PHE A 223 -4.564 -4.353 -4.533 1.00 0.00 C ATOM 242 CD2 PHE A 223 -2.908 -6.047 -4.270 1.00 0.00 C ATOM 243 CE1 PHE A 223 -3.828 -3.504 -3.729 1.00 0.00 C ATOM 244 CE2 PHE A 223 -2.167 -5.203 -3.464 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.628 -3.930 -3.193 1.00 0.00 C ATOM 0 H PHE A 223 -2.633 -5.635 -7.252 1.00 0.00 H new ATOM 0 HA PHE A 223 -5.028 -7.268 -7.712 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -5.975 -6.338 -5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.754 -7.581 -5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -5.502 -4.015 -4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -2.543 -7.042 -4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -4.190 -2.508 -3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -1.229 -5.539 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 223 -2.052 -3.269 -2.563 1.00 0.00 H new ATOM 255 N VAL A 224 -6.326 -5.191 -8.286 1.00 0.00 N ATOM 256 CA VAL A 224 -6.965 -4.013 -8.860 1.00 0.00 C ATOM 257 C VAL A 224 -7.827 -3.297 -7.827 1.00 0.00 C ATOM 258 O VAL A 224 -8.660 -3.914 -7.162 1.00 0.00 O ATOM 259 CB VAL A 224 -7.839 -4.383 -10.074 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.329 -3.129 -10.781 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.068 -5.279 -11.031 1.00 0.00 C ATOM 0 H VAL A 224 -6.883 -6.044 -8.345 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.166 -3.348 -9.186 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.710 -4.934 -9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -8.944 -3.410 -11.636 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -8.921 -2.529 -10.089 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.474 -2.548 -11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.700 -5.531 -11.883 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.178 -4.756 -11.382 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.773 -6.193 -10.516 1.00 0.00 H new ATOM 271 N VAL A 225 -7.622 -1.990 -7.696 1.00 0.00 N ATOM 272 CA VAL A 225 -8.381 -1.188 -6.744 1.00 0.00 C ATOM 273 C VAL A 225 -9.348 -0.254 -7.461 1.00 0.00 C ATOM 274 O VAL A 225 -9.009 0.342 -8.484 1.00 0.00 O ATOM 275 CB VAL A 225 -7.450 -0.354 -5.844 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.252 0.656 -5.037 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.642 -1.260 -4.928 1.00 0.00 C ATOM 0 H VAL A 225 -6.936 -1.464 -8.238 1.00 0.00 H new ATOM 0 HA VAL A 225 -8.946 -1.884 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.755 0.194 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.578 1.236 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -8.781 1.326 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -8.973 0.131 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -5.990 -0.654 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.319 -1.837 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.037 -1.939 -5.529 1.00 0.00 H new ATOM 287 N ARG A 226 -10.555 -0.129 -6.918 1.00 0.00 N ATOM 288 CA ARG A 226 -11.573 0.733 -7.507 1.00 0.00 C ATOM 289 C ARG A 226 -11.039 2.149 -7.703 1.00 0.00 C ATOM 290 O ARG A 226 -10.461 2.736 -6.789 1.00 0.00 O ATOM 291 CB ARG A 226 -12.819 0.765 -6.620 1.00 0.00 C ATOM 292 CG ARG A 226 -13.805 -0.353 -6.916 1.00 0.00 C ATOM 293 CD ARG A 226 -14.649 -0.690 -5.696 1.00 0.00 C ATOM 294 NE ARG A 226 -15.671 -1.688 -5.996 1.00 0.00 N ATOM 295 CZ ARG A 226 -16.439 -2.255 -5.071 1.00 0.00 C ATOM 296 NH1 ARG A 226 -16.300 -1.922 -3.795 1.00 0.00 N ATOM 297 NH2 ARG A 226 -17.348 -3.156 -5.423 1.00 0.00 N ATOM 0 H ARG A 226 -10.852 -0.614 -6.071 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.839 0.325 -8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.513 0.701 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.321 1.724 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -14.455 -0.057 -7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -13.263 -1.241 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -14.003 -1.061 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -15.126 0.217 -5.324 1.00 0.00 H new ATOM 0 HE ARG A 226 -15.803 -1.965 -6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -15.603 -1.230 -3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -16.890 -2.358 -3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -17.458 -3.414 -6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -17.937 -3.591 -4.713 1.00 0.00 H new ATOM 311 N GLU A 227 -11.236 2.690 -8.901 1.00 0.00 N ATOM 312 CA GLU A 227 -10.773 4.036 -9.216 1.00 0.00 C ATOM 313 C GLU A 227 -11.418 5.064 -8.292 1.00 0.00 C ATOM 314 O GLU A 227 -11.006 6.223 -8.250 1.00 0.00 O ATOM 315 CB GLU A 227 -11.084 4.378 -10.675 1.00 0.00 C ATOM 316 CG GLU A 227 -12.571 4.407 -10.989 1.00 0.00 C ATOM 317 CD GLU A 227 -12.855 4.320 -12.475 1.00 0.00 C ATOM 318 OE1 GLU A 227 -12.793 3.201 -13.026 1.00 0.00 O ATOM 319 OE2 GLU A 227 -13.139 5.370 -13.089 1.00 0.00 O ATOM 0 H GLU A 227 -11.713 2.217 -9.669 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.694 4.066 -9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -10.652 5.350 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -10.599 3.648 -11.322 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -13.062 3.578 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -13.004 5.326 -10.593 1.00 0.00 H new ATOM 326 N ASP A 228 -12.434 4.631 -7.553 1.00 0.00 N ATOM 327 CA ASP A 228 -13.138 5.513 -6.629 1.00 0.00 C ATOM 328 C ASP A 228 -12.599 5.354 -5.210 1.00 0.00 C ATOM 329 O ASP A 228 -12.760 6.240 -4.371 1.00 0.00 O ATOM 330 CB ASP A 228 -14.639 5.219 -6.654 1.00 0.00 C ATOM 331 CG ASP A 228 -15.355 5.960 -7.766 1.00 0.00 C ATOM 332 OD1 ASP A 228 -15.346 5.463 -8.912 1.00 0.00 O ATOM 333 OD2 ASP A 228 -15.924 7.037 -7.490 1.00 0.00 O ATOM 0 H ASP A 228 -12.788 3.675 -7.576 1.00 0.00 H new ATOM 0 HA ASP A 228 -12.972 6.542 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -14.794 4.147 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -15.077 5.497 -5.695 1.00 0.00 H new ATOM 338 N LEU A 229 -11.960 4.219 -4.949 1.00 0.00 N ATOM 339 CA LEU A 229 -11.398 3.943 -3.632 1.00 0.00 C ATOM 340 C LEU A 229 -9.909 4.268 -3.596 1.00 0.00 C ATOM 341 O LEU A 229 -9.288 4.263 -2.533 1.00 0.00 O ATOM 342 CB LEU A 229 -11.621 2.476 -3.258 1.00 0.00 C ATOM 343 CG LEU A 229 -13.061 2.076 -2.937 1.00 0.00 C ATOM 344 CD1 LEU A 229 -13.150 0.585 -2.649 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.588 2.881 -1.758 1.00 0.00 C ATOM 0 H LEU A 229 -11.818 3.475 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 229 -11.907 4.578 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -11.267 1.855 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -10.999 2.244 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.681 2.295 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -14.183 0.319 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -12.814 0.025 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.517 0.341 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.614 2.583 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.966 2.694 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.562 3.943 -2.002 1.00 0.00 H new ATOM 357 N MET A 230 -9.342 4.553 -4.764 1.00 0.00 N ATOM 358 CA MET A 230 -7.926 4.885 -4.865 1.00 0.00 C ATOM 359 C MET A 230 -7.546 5.962 -3.854 1.00 0.00 C ATOM 360 O MET A 230 -6.791 5.709 -2.916 1.00 0.00 O ATOM 361 CB MET A 230 -7.590 5.357 -6.281 1.00 0.00 C ATOM 362 CG MET A 230 -7.513 4.228 -7.296 1.00 0.00 C ATOM 363 SD MET A 230 -6.306 2.968 -6.842 1.00 0.00 S ATOM 364 CE MET A 230 -5.213 3.019 -8.260 1.00 0.00 C ATOM 0 H MET A 230 -9.842 4.561 -5.653 1.00 0.00 H new ATOM 0 HA MET A 230 -7.352 3.985 -4.644 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.344 6.074 -6.604 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.636 5.884 -6.263 1.00 0.00 H new ATOM 0 HG2 MET A 230 -8.495 3.766 -7.395 1.00 0.00 H new ATOM 0 HG3 MET A 230 -7.254 4.639 -8.272 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.734 2.048 -8.385 1.00 0.00 H new ATOM 0 HE2 MET A 230 -5.788 3.258 -9.154 1.00 0.00 H new ATOM 0 HE3 MET A 230 -4.451 3.782 -8.104 1.00 0.00 H new ATOM 374 N GLY A 231 -8.075 7.166 -4.051 1.00 0.00 N ATOM 375 CA GLY A 231 -7.780 8.263 -3.149 1.00 0.00 C ATOM 376 C GLY A 231 -7.749 7.828 -1.697 1.00 0.00 C ATOM 377 O GLY A 231 -6.788 8.105 -0.978 1.00 0.00 O ATOM 0 H GLY A 231 -8.703 7.401 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -6.817 8.699 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -8.529 9.044 -3.275 1.00 0.00 H new ATOM 381 N LEU A 232 -8.804 7.146 -1.264 1.00 0.00 N ATOM 382 CA LEU A 232 -8.896 6.673 0.113 1.00 0.00 C ATOM 383 C LEU A 232 -7.737 5.739 0.446 1.00 0.00 C ATOM 384 O LEU A 232 -6.909 6.042 1.305 1.00 0.00 O ATOM 385 CB LEU A 232 -10.227 5.954 0.339 1.00 0.00 C ATOM 386 CG LEU A 232 -11.474 6.838 0.349 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.731 5.989 0.231 1.00 0.00 C ATOM 388 CD2 LEU A 232 -11.517 7.685 1.612 1.00 0.00 C ATOM 0 H LEU A 232 -9.607 6.908 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.842 7.539 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.347 5.200 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -10.174 5.424 1.290 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.429 7.506 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.609 6.635 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.704 5.427 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.782 5.296 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -12.411 8.308 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -11.538 7.034 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.633 8.321 1.654 1.00 0.00 H new ATOM 400 N ALA A 233 -7.683 4.602 -0.241 1.00 0.00 N ATOM 401 CA ALA A 233 -6.624 3.626 -0.021 1.00 0.00 C ATOM 402 C ALA A 233 -5.258 4.302 0.040 1.00 0.00 C ATOM 403 O ALA A 233 -4.408 3.932 0.850 1.00 0.00 O ATOM 404 CB ALA A 233 -6.644 2.570 -1.117 1.00 0.00 C ATOM 0 H ALA A 233 -8.361 4.335 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.804 3.142 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.848 1.847 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.606 2.058 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.492 3.047 -2.085 1.00 0.00 H new ATOM 410 N ILE A 234 -5.055 5.293 -0.821 1.00 0.00 N ATOM 411 CA ILE A 234 -3.792 6.020 -0.864 1.00 0.00 C ATOM 412 C ILE A 234 -3.680 6.996 0.303 1.00 0.00 C ATOM 413 O ILE A 234 -2.585 7.280 0.785 1.00 0.00 O ATOM 414 CB ILE A 234 -3.634 6.796 -2.185 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.634 5.831 -3.372 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.355 7.620 -2.165 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.390 6.509 -4.702 1.00 0.00 C ATOM 0 H ILE A 234 -5.748 5.611 -1.498 1.00 0.00 H new ATOM 0 HA ILE A 234 -2.997 5.277 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.479 7.475 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.867 5.073 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.592 5.312 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -2.257 8.163 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -2.392 8.330 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.498 6.959 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.404 5.764 -5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -4.171 7.247 -4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.419 7.004 -4.685 1.00 0.00 H new ATOM 429 N GLY A 235 -4.823 7.505 0.753 1.00 0.00 N ATOM 430 CA GLY A 235 -4.831 8.442 1.861 1.00 0.00 C ATOM 431 C GLY A 235 -4.686 9.880 1.405 1.00 0.00 C ATOM 432 O GLY A 235 -5.155 10.249 0.327 1.00 0.00 O ATOM 0 H GLY A 235 -5.743 7.285 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.761 8.333 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -4.019 8.197 2.546 1.00 0.00 H new ATOM 436 N THR A 236 -4.036 10.698 2.228 1.00 0.00 N ATOM 437 CA THR A 236 -3.833 12.104 1.905 1.00 0.00 C ATOM 438 C THR A 236 -2.417 12.354 1.398 1.00 0.00 C ATOM 439 O THR A 236 -1.455 11.777 1.906 1.00 0.00 O ATOM 440 CB THR A 236 -4.095 13.005 3.127 1.00 0.00 C ATOM 441 OG1 THR A 236 -3.974 14.383 2.755 1.00 0.00 O ATOM 442 CG2 THR A 236 -3.119 12.690 4.250 1.00 0.00 C ATOM 0 H THR A 236 -3.641 10.410 3.123 1.00 0.00 H new ATOM 0 HA THR A 236 -4.546 12.353 1.119 1.00 0.00 H new ATOM 0 HB THR A 236 -5.107 12.813 3.482 1.00 0.00 H new ATOM 0 HG1 THR A 236 -4.143 14.949 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 236 -3.323 13.338 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 236 -3.234 11.649 4.551 1.00 0.00 H new ATOM 0 HG23 THR A 236 -2.099 12.857 3.903 1.00 0.00 H new ATOM 450 N HIS A 237 -2.296 13.217 0.395 1.00 0.00 N ATOM 451 CA HIS A 237 -0.995 13.543 -0.180 1.00 0.00 C ATOM 452 C HIS A 237 -0.076 12.325 -0.170 1.00 0.00 C ATOM 453 O HIS A 237 1.070 12.404 0.272 1.00 0.00 O ATOM 454 CB HIS A 237 -0.347 14.692 0.593 1.00 0.00 C ATOM 455 CG HIS A 237 -0.211 14.426 2.060 1.00 0.00 C ATOM 456 ND1 HIS A 237 0.606 13.442 2.574 1.00 0.00 N ATOM 457 CD2 HIS A 237 -0.794 15.024 3.126 1.00 0.00 C ATOM 458 CE1 HIS A 237 0.519 13.445 3.893 1.00 0.00 C ATOM 459 NE2 HIS A 237 -0.324 14.396 4.253 1.00 0.00 N ATOM 0 H HIS A 237 -3.082 13.703 -0.037 1.00 0.00 H new ATOM 0 HA HIS A 237 -1.149 13.851 -1.214 1.00 0.00 H new ATOM 0 HB2 HIS A 237 0.640 14.889 0.175 1.00 0.00 H new ATOM 0 HB3 HIS A 237 -0.940 15.595 0.449 1.00 0.00 H new ATOM 0 HD1 HIS A 237 1.187 12.810 2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 237 -1.498 15.843 3.095 1.00 0.00 H new ATOM 0 HE1 HIS A 237 1.047 12.782 4.563 1.00 0.00 H new ATOM 467 N GLY A 238 -0.587 11.200 -0.660 1.00 0.00 N ATOM 468 CA GLY A 238 0.201 9.982 -0.697 1.00 0.00 C ATOM 469 C GLY A 238 0.721 9.586 0.671 1.00 0.00 C ATOM 470 O GLY A 238 1.928 9.604 0.913 1.00 0.00 O ATOM 0 H GLY A 238 -1.532 11.110 -1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.407 9.172 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.042 10.118 -1.377 1.00 0.00 H new ATOM 474 N SER A 239 -0.192 9.227 1.568 1.00 0.00 N ATOM 475 CA SER A 239 0.181 8.830 2.921 1.00 0.00 C ATOM 476 C SER A 239 0.342 7.316 3.018 1.00 0.00 C ATOM 477 O SER A 239 1.422 6.814 3.327 1.00 0.00 O ATOM 478 CB SER A 239 -0.872 9.308 3.923 1.00 0.00 C ATOM 479 OG SER A 239 -0.400 9.188 5.254 1.00 0.00 O ATOM 0 H SER A 239 -1.195 9.203 1.382 1.00 0.00 H new ATOM 0 HA SER A 239 1.137 9.295 3.160 1.00 0.00 H new ATOM 0 HB2 SER A 239 -1.129 10.347 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.784 8.724 3.803 1.00 0.00 H new ATOM 0 HG SER A 239 -1.090 9.501 5.875 1.00 0.00 H new ATOM 485 N ASN A 240 -0.742 6.594 2.751 1.00 0.00 N ATOM 486 CA ASN A 240 -0.722 5.137 2.809 1.00 0.00 C ATOM 487 C ASN A 240 0.477 4.578 2.048 1.00 0.00 C ATOM 488 O ASN A 240 1.357 3.948 2.634 1.00 0.00 O ATOM 489 CB ASN A 240 -2.018 4.565 2.230 1.00 0.00 C ATOM 490 CG ASN A 240 -3.228 4.903 3.079 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.500 6.071 3.357 1.00 0.00 O ATOM 492 ND2 ASN A 240 -3.963 3.878 3.496 1.00 0.00 N ATOM 0 H ASN A 240 -1.644 6.994 2.493 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.637 4.841 3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -2.165 4.953 1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -1.928 3.482 2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -4.790 4.043 4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.701 2.926 3.242 1.00 0.00 H new ATOM 499 N ILE A 241 0.504 4.815 0.741 1.00 0.00 N ATOM 500 CA ILE A 241 1.595 4.338 -0.099 1.00 0.00 C ATOM 501 C ILE A 241 2.937 4.479 0.610 1.00 0.00 C ATOM 502 O ILE A 241 3.698 3.518 0.717 1.00 0.00 O ATOM 503 CB ILE A 241 1.651 5.100 -1.437 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.513 4.647 -2.354 1.00 0.00 C ATOM 505 CG2 ILE A 241 2.998 4.889 -2.111 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.465 5.393 -3.669 1.00 0.00 C ATOM 0 H ILE A 241 -0.217 5.335 0.241 1.00 0.00 H new ATOM 0 HA ILE A 241 1.401 3.284 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 241 1.530 6.165 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.620 3.581 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.436 4.780 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 241 3.022 5.434 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.792 5.256 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 241 3.147 3.826 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.366 5.020 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.327 6.457 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.399 5.240 -4.209 1.00 0.00 H new ATOM 518 N GLN A 242 3.220 5.684 1.095 1.00 0.00 N ATOM 519 CA GLN A 242 4.470 5.951 1.796 1.00 0.00 C ATOM 520 C GLN A 242 4.710 4.920 2.893 1.00 0.00 C ATOM 521 O GLN A 242 5.815 4.394 3.032 1.00 0.00 O ATOM 522 CB GLN A 242 4.453 7.358 2.396 1.00 0.00 C ATOM 523 CG GLN A 242 4.978 8.429 1.454 1.00 0.00 C ATOM 524 CD GLN A 242 5.298 9.728 2.167 1.00 0.00 C ATOM 525 OE1 GLN A 242 5.030 9.877 3.360 1.00 0.00 O ATOM 526 NE2 GLN A 242 5.875 10.676 1.439 1.00 0.00 N ATOM 0 H GLN A 242 2.601 6.490 1.015 1.00 0.00 H new ATOM 0 HA GLN A 242 5.284 5.882 1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.432 7.608 2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 242 5.051 7.362 3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 242 5.876 8.062 0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.238 8.618 0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 242 6.079 10.509 0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 242 6.114 11.571 1.865 1.00 0.00 H new ATOM 535 N GLN A 243 3.670 4.636 3.669 1.00 0.00 N ATOM 536 CA GLN A 243 3.769 3.667 4.755 1.00 0.00 C ATOM 537 C GLN A 243 4.111 2.281 4.219 1.00 0.00 C ATOM 538 O GLN A 243 5.036 1.629 4.702 1.00 0.00 O ATOM 539 CB GLN A 243 2.457 3.613 5.540 1.00 0.00 C ATOM 540 CG GLN A 243 2.239 4.816 6.443 1.00 0.00 C ATOM 541 CD GLN A 243 0.893 4.786 7.140 1.00 0.00 C ATOM 542 OE1 GLN A 243 0.684 4.018 8.079 1.00 0.00 O ATOM 543 NE2 GLN A 243 -0.030 5.625 6.683 1.00 0.00 N ATOM 0 H GLN A 243 2.749 5.062 3.567 1.00 0.00 H new ATOM 0 HA GLN A 243 4.570 3.987 5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 243 1.626 3.540 4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.443 2.707 6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.031 4.852 7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.318 5.728 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.186 6.245 5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 243 -0.955 5.650 7.113 1.00 0.00 H new ATOM 552 N ALA A 244 3.360 1.837 3.217 1.00 0.00 N ATOM 553 CA ALA A 244 3.585 0.530 2.614 1.00 0.00 C ATOM 554 C ALA A 244 5.015 0.402 2.099 1.00 0.00 C ATOM 555 O ALA A 244 5.613 -0.672 2.162 1.00 0.00 O ATOM 556 CB ALA A 244 2.592 0.290 1.486 1.00 0.00 C ATOM 0 H ALA A 244 2.590 2.364 2.806 1.00 0.00 H new ATOM 0 HA ALA A 244 3.434 -0.228 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 244 2.772 -0.690 1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.577 0.329 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 244 2.715 1.059 0.723 1.00 0.00 H new ATOM 562 N ARG A 245 5.556 1.503 1.589 1.00 0.00 N ATOM 563 CA ARG A 245 6.915 1.513 1.061 1.00 0.00 C ATOM 564 C ARG A 245 7.938 1.524 2.193 1.00 0.00 C ATOM 565 O ARG A 245 9.109 1.202 1.991 1.00 0.00 O ATOM 566 CB ARG A 245 7.125 2.729 0.157 1.00 0.00 C ATOM 567 CG ARG A 245 8.583 2.991 -0.182 1.00 0.00 C ATOM 568 CD ARG A 245 8.728 4.141 -1.167 1.00 0.00 C ATOM 569 NE ARG A 245 10.051 4.756 -1.098 1.00 0.00 N ATOM 570 CZ ARG A 245 10.465 5.703 -1.933 1.00 0.00 C ATOM 571 NH1 ARG A 245 9.663 6.141 -2.894 1.00 0.00 N ATOM 572 NH2 ARG A 245 11.683 6.214 -1.807 1.00 0.00 N ATOM 0 H ARG A 245 5.074 2.400 1.530 1.00 0.00 H new ATOM 0 HA ARG A 245 7.057 0.605 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 245 6.566 2.585 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 245 6.710 3.611 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 245 9.134 3.220 0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 245 9.027 2.090 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 245 8.550 3.777 -2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 245 7.967 4.894 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 245 10.692 4.441 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 245 8.726 5.751 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 245 9.983 6.868 -3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 245 12.302 5.880 -1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 245 12.000 6.941 -2.448 1.00 0.00 H new ATOM 586 N LYS A 246 7.488 1.899 3.386 1.00 0.00 N ATOM 587 CA LYS A 246 8.362 1.952 4.552 1.00 0.00 C ATOM 588 C LYS A 246 8.379 0.613 5.281 1.00 0.00 C ATOM 589 O LYS A 246 8.863 0.514 6.409 1.00 0.00 O ATOM 590 CB LYS A 246 7.907 3.059 5.506 1.00 0.00 C ATOM 591 CG LYS A 246 8.270 4.456 5.035 1.00 0.00 C ATOM 592 CD LYS A 246 8.453 5.409 6.204 1.00 0.00 C ATOM 593 CE LYS A 246 8.347 6.860 5.762 1.00 0.00 C ATOM 594 NZ LYS A 246 9.558 7.304 5.018 1.00 0.00 N ATOM 0 H LYS A 246 6.522 2.171 3.571 1.00 0.00 H new ATOM 0 HA LYS A 246 9.373 2.170 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 246 6.826 2.997 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 246 8.352 2.888 6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 246 9.189 4.416 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 246 7.488 4.833 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 246 7.699 5.203 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 246 9.426 5.238 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 246 7.467 6.984 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 246 8.204 7.496 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 9.446 8.298 4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 10.394 7.210 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 9.680 6.714 4.170 1.00 0.00 H new ATOM 608 N VAL A 247 7.849 -0.418 4.630 1.00 0.00 N ATOM 609 CA VAL A 247 7.806 -1.752 5.215 1.00 0.00 C ATOM 610 C VAL A 247 9.038 -2.562 4.829 1.00 0.00 C ATOM 611 O VAL A 247 9.488 -2.547 3.683 1.00 0.00 O ATOM 612 CB VAL A 247 6.544 -2.518 4.775 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.569 -3.942 5.309 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.291 -1.789 5.238 1.00 0.00 C ATOM 0 H VAL A 247 7.443 -0.354 3.696 1.00 0.00 H new ATOM 0 HA VAL A 247 7.785 -1.622 6.297 1.00 0.00 H new ATOM 0 HB VAL A 247 6.530 -2.564 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.669 -4.467 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.448 -4.459 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.608 -3.922 6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.409 -2.344 4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 247 5.297 -1.710 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.269 -0.790 4.802 1.00 0.00 H new ATOM 624 N PRO A 248 9.600 -3.287 5.808 1.00 0.00 N ATOM 625 CA PRO A 248 10.788 -4.119 5.594 1.00 0.00 C ATOM 626 C PRO A 248 10.495 -5.337 4.725 1.00 0.00 C ATOM 627 O PRO A 248 9.452 -5.974 4.864 1.00 0.00 O ATOM 628 CB PRO A 248 11.177 -4.553 7.010 1.00 0.00 C ATOM 629 CG PRO A 248 9.907 -4.488 7.787 1.00 0.00 C ATOM 630 CD PRO A 248 9.118 -3.353 7.197 1.00 0.00 C ATOM 0 HA PRO A 248 11.575 -3.578 5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 248 11.593 -5.560 7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 248 11.934 -3.893 7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 248 9.356 -5.426 7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 248 10.105 -4.317 8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 248 8.046 -3.544 7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 248 9.298 -2.419 7.729 1.00 0.00 H new ATOM 638 N GLY A 249 11.424 -5.656 3.829 1.00 0.00 N ATOM 639 CA GLY A 249 11.246 -6.797 2.950 1.00 0.00 C ATOM 640 C GLY A 249 10.681 -6.407 1.599 1.00 0.00 C ATOM 641 O GLY A 249 10.786 -7.162 0.632 1.00 0.00 O ATOM 0 H GLY A 249 12.297 -5.145 3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 249 12.205 -7.296 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.579 -7.517 3.425 1.00 0.00 H new ATOM 645 N VAL A 250 10.077 -5.225 1.532 1.00 0.00 N ATOM 646 CA VAL A 250 9.491 -4.736 0.289 1.00 0.00 C ATOM 647 C VAL A 250 10.556 -4.133 -0.620 1.00 0.00 C ATOM 648 O VAL A 250 11.193 -3.137 -0.275 1.00 0.00 O ATOM 649 CB VAL A 250 8.404 -3.678 0.559 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.891 -3.093 -0.748 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.265 -4.280 1.367 1.00 0.00 C ATOM 0 H VAL A 250 9.981 -4.588 2.323 1.00 0.00 H new ATOM 0 HA VAL A 250 9.037 -5.594 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 250 8.845 -2.869 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 250 7.124 -2.348 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.715 -2.623 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.466 -3.888 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.506 -3.519 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.823 -5.108 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.648 -4.645 2.320 1.00 0.00 H new ATOM 661 N THR A 251 10.745 -4.744 -1.786 1.00 0.00 N ATOM 662 CA THR A 251 11.734 -4.269 -2.746 1.00 0.00 C ATOM 663 C THR A 251 11.291 -2.959 -3.388 1.00 0.00 C ATOM 664 O THR A 251 12.055 -1.997 -3.448 1.00 0.00 O ATOM 665 CB THR A 251 11.988 -5.310 -3.852 1.00 0.00 C ATOM 666 OG1 THR A 251 10.747 -5.704 -4.448 1.00 0.00 O ATOM 667 CG2 THR A 251 12.698 -6.533 -3.292 1.00 0.00 C ATOM 0 H THR A 251 10.226 -5.569 -2.088 1.00 0.00 H new ATOM 0 HA THR A 251 12.659 -4.105 -2.193 1.00 0.00 H new ATOM 0 HB THR A 251 12.626 -4.854 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 251 10.009 -5.482 -3.843 1.00 0.00 H new ATOM 0 HG21 THR A 251 12.866 -7.254 -4.092 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.655 -6.234 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.082 -6.988 -2.517 1.00 0.00 H new ATOM 675 N ALA A 252 10.051 -2.930 -3.867 1.00 0.00 N ATOM 676 CA ALA A 252 9.506 -1.737 -4.503 1.00 0.00 C ATOM 677 C ALA A 252 7.983 -1.787 -4.550 1.00 0.00 C ATOM 678 O ALA A 252 7.378 -2.822 -4.267 1.00 0.00 O ATOM 679 CB ALA A 252 10.075 -1.579 -5.905 1.00 0.00 C ATOM 0 H ALA A 252 9.406 -3.719 -3.826 1.00 0.00 H new ATOM 0 HA ALA A 252 9.796 -0.872 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.659 -0.684 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.160 -1.488 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.814 -2.452 -6.504 1.00 0.00 H new ATOM 685 N ILE A 253 7.369 -0.664 -4.908 1.00 0.00 N ATOM 686 CA ILE A 253 5.916 -0.582 -4.992 1.00 0.00 C ATOM 687 C ILE A 253 5.483 0.325 -6.139 1.00 0.00 C ATOM 688 O ILE A 253 5.715 1.533 -6.110 1.00 0.00 O ATOM 689 CB ILE A 253 5.305 -0.058 -3.679 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.569 -1.044 -2.539 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.812 0.179 -3.847 1.00 0.00 C ATOM 692 CD1 ILE A 253 5.122 -0.536 -1.186 1.00 0.00 C ATOM 0 H ILE A 253 7.855 0.201 -5.144 1.00 0.00 H new ATOM 0 HA ILE A 253 5.552 -1.593 -5.174 1.00 0.00 H new ATOM 0 HB ILE A 253 5.778 0.892 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.056 -1.981 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.636 -1.266 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.395 0.549 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.647 0.915 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.323 -0.757 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.340 -1.286 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.654 0.386 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 253 4.050 -0.341 -1.207 1.00 0.00 H new ATOM 704 N GLU A 254 4.850 -0.267 -7.147 1.00 0.00 N ATOM 705 CA GLU A 254 4.383 0.488 -8.304 1.00 0.00 C ATOM 706 C GLU A 254 2.858 0.488 -8.374 1.00 0.00 C ATOM 707 O GLU A 254 2.202 -0.428 -7.877 1.00 0.00 O ATOM 708 CB GLU A 254 4.963 -0.098 -9.592 1.00 0.00 C ATOM 709 CG GLU A 254 6.329 0.462 -9.954 1.00 0.00 C ATOM 710 CD GLU A 254 6.258 1.889 -10.463 1.00 0.00 C ATOM 711 OE1 GLU A 254 5.872 2.083 -11.635 1.00 0.00 O ATOM 712 OE2 GLU A 254 6.588 2.812 -9.689 1.00 0.00 O ATOM 0 H GLU A 254 4.649 -1.266 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 254 4.725 1.517 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 254 5.039 -1.180 -9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.272 0.094 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 254 6.977 0.424 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 254 6.786 -0.169 -10.716 1.00 0.00 H new ATOM 719 N LEU A 255 2.301 1.522 -8.994 1.00 0.00 N ATOM 720 CA LEU A 255 0.853 1.643 -9.129 1.00 0.00 C ATOM 721 C LEU A 255 0.472 2.063 -10.545 1.00 0.00 C ATOM 722 O LEU A 255 0.955 3.074 -11.055 1.00 0.00 O ATOM 723 CB LEU A 255 0.310 2.657 -8.121 1.00 0.00 C ATOM 724 CG LEU A 255 -0.949 3.416 -8.544 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.060 2.444 -8.910 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.403 4.355 -7.437 1.00 0.00 C ATOM 0 H LEU A 255 2.829 2.288 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 255 0.411 0.667 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.099 2.134 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 255 1.094 3.384 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 255 -0.712 4.013 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -2.948 3.002 -9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -1.733 1.813 -9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.296 1.820 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.300 4.886 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.623 3.779 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.612 5.074 -7.223 1.00 0.00 H new ATOM 738 N ASP A 256 -0.398 1.280 -11.175 1.00 0.00 N ATOM 739 CA ASP A 256 -0.847 1.572 -12.531 1.00 0.00 C ATOM 740 C ASP A 256 -2.012 2.556 -12.518 1.00 0.00 C ATOM 741 O ASP A 256 -3.129 2.204 -12.140 1.00 0.00 O ATOM 742 CB ASP A 256 -1.260 0.283 -13.243 1.00 0.00 C ATOM 743 CG ASP A 256 -1.052 0.358 -14.743 1.00 0.00 C ATOM 744 OD1 ASP A 256 0.115 0.307 -15.184 1.00 0.00 O ATOM 745 OD2 ASP A 256 -2.058 0.466 -15.475 1.00 0.00 O ATOM 0 H ASP A 256 -0.806 0.438 -10.768 1.00 0.00 H new ATOM 0 HA ASP A 256 -0.017 2.027 -13.072 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -0.685 -0.551 -12.841 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -2.310 0.077 -13.035 1.00 0.00 H new ATOM 750 N GLU A 257 -1.743 3.790 -12.933 1.00 0.00 N ATOM 751 CA GLU A 257 -2.770 4.825 -12.966 1.00 0.00 C ATOM 752 C GLU A 257 -3.600 4.727 -14.243 1.00 0.00 C ATOM 753 O GLU A 257 -4.566 5.468 -14.427 1.00 0.00 O ATOM 754 CB GLU A 257 -2.131 6.212 -12.866 1.00 0.00 C ATOM 755 CG GLU A 257 -1.446 6.471 -11.535 1.00 0.00 C ATOM 756 CD GLU A 257 0.013 6.057 -11.539 1.00 0.00 C ATOM 757 OE1 GLU A 257 0.613 6.008 -12.633 1.00 0.00 O ATOM 758 OE2 GLU A 257 0.554 5.781 -10.448 1.00 0.00 O ATOM 0 H GLU A 257 -0.824 4.097 -13.251 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.430 4.674 -12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -1.402 6.326 -13.669 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -2.899 6.969 -13.023 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -1.518 7.532 -11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.971 5.929 -10.749 1.00 0.00 H new ATOM 765 N ASP A 258 -3.216 3.807 -15.121 1.00 0.00 N ATOM 766 CA ASP A 258 -3.925 3.610 -16.381 1.00 0.00 C ATOM 767 C ASP A 258 -5.019 2.558 -16.231 1.00 0.00 C ATOM 768 O ASP A 258 -6.089 2.669 -16.830 1.00 0.00 O ATOM 769 CB ASP A 258 -2.947 3.194 -17.481 1.00 0.00 C ATOM 770 CG ASP A 258 -2.294 4.384 -18.156 1.00 0.00 C ATOM 771 OD1 ASP A 258 -3.026 5.307 -18.571 1.00 0.00 O ATOM 772 OD2 ASP A 258 -1.050 4.393 -18.269 1.00 0.00 O ATOM 0 H ASP A 258 -2.418 3.186 -14.984 1.00 0.00 H new ATOM 0 HA ASP A 258 -4.391 4.555 -16.659 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -2.175 2.554 -17.054 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -3.475 2.601 -18.228 1.00 0.00 H new ATOM 777 N THR A 259 -4.743 1.535 -15.427 1.00 0.00 N ATOM 778 CA THR A 259 -5.702 0.462 -15.200 1.00 0.00 C ATOM 779 C THR A 259 -6.160 0.432 -13.746 1.00 0.00 C ATOM 780 O THR A 259 -7.177 -0.176 -13.418 1.00 0.00 O ATOM 781 CB THR A 259 -5.106 -0.911 -15.566 1.00 0.00 C ATOM 782 OG1 THR A 259 -3.867 -1.107 -14.876 1.00 0.00 O ATOM 783 CG2 THR A 259 -4.879 -1.019 -17.066 1.00 0.00 C ATOM 0 H THR A 259 -3.863 1.428 -14.923 1.00 0.00 H new ATOM 0 HA THR A 259 -6.558 0.662 -15.844 1.00 0.00 H new ATOM 0 HB THR A 259 -5.815 -1.682 -15.265 1.00 0.00 H new ATOM 0 HG1 THR A 259 -3.124 -0.839 -15.456 1.00 0.00 H new ATOM 0 HG21 THR A 259 -4.458 -1.997 -17.301 1.00 0.00 H new ATOM 0 HG22 THR A 259 -5.829 -0.898 -17.587 1.00 0.00 H new ATOM 0 HG23 THR A 259 -4.188 -0.240 -17.386 1.00 0.00 H new ATOM 791 N GLY A 260 -5.402 1.095 -12.878 1.00 0.00 N ATOM 792 CA GLY A 260 -5.747 1.133 -11.469 1.00 0.00 C ATOM 793 C GLY A 260 -5.399 -0.157 -10.752 1.00 0.00 C ATOM 794 O GLY A 260 -6.240 -0.746 -10.073 1.00 0.00 O ATOM 0 H GLY A 260 -4.555 1.607 -13.126 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.224 1.962 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.815 1.327 -11.365 1.00 0.00 H new ATOM 798 N THR A 261 -4.155 -0.600 -10.904 1.00 0.00 N ATOM 799 CA THR A 261 -3.698 -1.829 -10.269 1.00 0.00 C ATOM 800 C THR A 261 -2.456 -1.581 -9.420 1.00 0.00 C ATOM 801 O THR A 261 -1.464 -1.032 -9.899 1.00 0.00 O ATOM 802 CB THR A 261 -3.382 -2.917 -11.313 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.558 -3.226 -12.069 1.00 0.00 O ATOM 804 CG2 THR A 261 -2.861 -4.178 -10.640 1.00 0.00 C ATOM 0 H THR A 261 -3.446 -0.125 -11.462 1.00 0.00 H new ATOM 0 HA THR A 261 -4.510 -2.174 -9.629 1.00 0.00 H new ATOM 0 HB THR A 261 -2.610 -2.535 -11.981 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.349 -3.917 -12.732 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.645 -4.932 -11.397 1.00 0.00 H new ATOM 0 HG22 THR A 261 -1.950 -3.946 -10.088 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.614 -4.561 -9.952 1.00 0.00 H new ATOM 812 N PHE A 262 -2.518 -1.989 -8.156 1.00 0.00 N ATOM 813 CA PHE A 262 -1.399 -1.810 -7.239 1.00 0.00 C ATOM 814 C PHE A 262 -0.438 -2.992 -7.318 1.00 0.00 C ATOM 815 O PHE A 262 -0.788 -4.116 -6.956 1.00 0.00 O ATOM 816 CB PHE A 262 -1.907 -1.645 -5.806 1.00 0.00 C ATOM 817 CG PHE A 262 -2.181 -0.218 -5.427 1.00 0.00 C ATOM 818 CD1 PHE A 262 -1.138 0.647 -5.135 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.480 0.259 -5.363 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.387 1.961 -4.785 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.735 1.572 -5.014 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.687 2.424 -4.726 1.00 0.00 C ATOM 0 H PHE A 262 -3.332 -2.446 -7.744 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.862 -0.908 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.821 -2.227 -5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -1.170 -2.060 -5.118 1.00 0.00 H new ATOM 0 HD1 PHE A 262 -0.120 0.290 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.303 -0.403 -5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.566 2.625 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.752 1.931 -4.967 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.884 3.451 -4.455 1.00 0.00 H new ATOM 832 N ARG A 263 0.776 -2.731 -7.793 1.00 0.00 N ATOM 833 CA ARG A 263 1.787 -3.773 -7.921 1.00 0.00 C ATOM 834 C ARG A 263 2.833 -3.654 -6.816 1.00 0.00 C ATOM 835 O ARG A 263 3.548 -2.655 -6.730 1.00 0.00 O ATOM 836 CB ARG A 263 2.465 -3.691 -9.290 1.00 0.00 C ATOM 837 CG ARG A 263 1.762 -4.502 -10.367 1.00 0.00 C ATOM 838 CD ARG A 263 2.083 -3.977 -11.758 1.00 0.00 C ATOM 839 NE ARG A 263 1.559 -4.849 -12.806 1.00 0.00 N ATOM 840 CZ ARG A 263 2.097 -6.021 -13.123 1.00 0.00 C ATOM 841 NH1 ARG A 263 3.167 -6.460 -12.476 1.00 0.00 N ATOM 842 NH2 ARG A 263 1.563 -6.758 -14.089 1.00 0.00 N ATOM 0 H ARG A 263 1.083 -1.806 -8.095 1.00 0.00 H new ATOM 0 HA ARG A 263 1.291 -4.739 -7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.508 -2.648 -9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.494 -4.039 -9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 263 2.064 -5.547 -10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.685 -4.469 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 263 1.663 -2.978 -11.874 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.163 -3.884 -11.870 1.00 0.00 H new ATOM 0 HE ARG A 263 0.735 -4.541 -13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 263 3.580 -5.897 -11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 263 3.578 -7.361 -12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 263 0.739 -6.424 -14.589 1.00 0.00 H new ATOM 0 HH22 ARG A 263 1.977 -7.658 -14.332 1.00 0.00 H new ATOM 856 N ILE A 264 2.916 -4.679 -5.974 1.00 0.00 N ATOM 857 CA ILE A 264 3.874 -4.689 -4.876 1.00 0.00 C ATOM 858 C ILE A 264 4.979 -5.711 -5.120 1.00 0.00 C ATOM 859 O ILE A 264 4.753 -6.748 -5.744 1.00 0.00 O ATOM 860 CB ILE A 264 3.188 -5.002 -3.533 1.00 0.00 C ATOM 861 CG1 ILE A 264 1.895 -4.194 -3.396 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.129 -4.705 -2.375 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.214 -4.369 -2.056 1.00 0.00 C ATOM 0 H ILE A 264 2.331 -5.513 -6.032 1.00 0.00 H new ATOM 0 HA ILE A 264 4.310 -3.691 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 264 2.937 -6.062 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.118 -3.138 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.205 -4.490 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.629 -4.931 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.025 -5.319 -2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.408 -3.651 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.305 -3.768 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 264 0.960 -5.419 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.886 -4.046 -1.261 1.00 0.00 H new ATOM 875 N TYR A 265 6.173 -5.412 -4.622 1.00 0.00 N ATOM 876 CA TYR A 265 7.315 -6.305 -4.786 1.00 0.00 C ATOM 877 C TYR A 265 8.030 -6.525 -3.456 1.00 0.00 C ATOM 878 O TYR A 265 8.635 -5.607 -2.904 1.00 0.00 O ATOM 879 CB TYR A 265 8.292 -5.734 -5.814 1.00 0.00 C ATOM 880 CG TYR A 265 7.651 -5.416 -7.147 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.083 -4.171 -7.387 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.614 -6.360 -8.165 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.496 -3.876 -8.602 1.00 0.00 C ATOM 884 CE2 TYR A 265 7.030 -6.073 -9.384 1.00 0.00 C ATOM 885 CZ TYR A 265 6.472 -4.830 -9.597 1.00 0.00 C ATOM 886 OH TYR A 265 5.889 -4.541 -10.810 1.00 0.00 O ATOM 0 H TYR A 265 6.376 -4.559 -4.101 1.00 0.00 H new ATOM 0 HA TYR A 265 6.944 -7.266 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.742 -4.827 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.101 -6.448 -5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 265 7.101 -3.421 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 265 8.049 -7.335 -8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 265 6.058 -2.903 -8.772 1.00 0.00 H new ATOM 0 HE2 TYR A 265 7.011 -6.818 -10.166 1.00 0.00 H new ATOM 0 HH TYR A 265 5.958 -5.321 -11.400 1.00 0.00 H new ATOM 896 N GLY A 266 7.955 -7.751 -2.947 1.00 0.00 N ATOM 897 CA GLY A 266 8.599 -8.072 -1.687 1.00 0.00 C ATOM 898 C GLY A 266 9.388 -9.364 -1.751 1.00 0.00 C ATOM 899 O GLY A 266 9.030 -10.281 -2.490 1.00 0.00 O ATOM 0 H GLY A 266 7.460 -8.528 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.265 -7.257 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 266 7.843 -8.150 -0.906 1.00 0.00 H new ATOM 903 N GLU A 267 10.466 -9.437 -0.976 1.00 0.00 N ATOM 904 CA GLU A 267 11.309 -10.627 -0.951 1.00 0.00 C ATOM 905 C GLU A 267 10.564 -11.809 -0.338 1.00 0.00 C ATOM 906 O GLU A 267 10.868 -12.966 -0.627 1.00 0.00 O ATOM 907 CB GLU A 267 12.591 -10.354 -0.163 1.00 0.00 C ATOM 908 CG GLU A 267 13.691 -9.712 -0.993 1.00 0.00 C ATOM 909 CD GLU A 267 15.004 -9.609 -0.242 1.00 0.00 C ATOM 910 OE1 GLU A 267 15.518 -10.656 0.203 1.00 0.00 O ATOM 911 OE2 GLU A 267 15.518 -8.479 -0.100 1.00 0.00 O ATOM 0 H GLU A 267 10.776 -8.687 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 267 11.570 -10.878 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.358 -9.704 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 267 12.960 -11.293 0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 267 13.842 -10.294 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.374 -8.716 -1.301 1.00 0.00 H new ATOM 918 N SER A 268 9.586 -11.508 0.512 1.00 0.00 N ATOM 919 CA SER A 268 8.800 -12.545 1.170 1.00 0.00 C ATOM 920 C SER A 268 7.333 -12.138 1.261 1.00 0.00 C ATOM 921 O SER A 268 7.010 -11.028 1.682 1.00 0.00 O ATOM 922 CB SER A 268 9.352 -12.821 2.570 1.00 0.00 C ATOM 923 OG SER A 268 10.496 -13.656 2.512 1.00 0.00 O ATOM 0 H SER A 268 9.320 -10.555 0.760 1.00 0.00 H new ATOM 0 HA SER A 268 8.871 -13.454 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 268 9.609 -11.879 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 268 8.583 -13.294 3.181 1.00 0.00 H new ATOM 0 HG SER A 268 10.851 -13.662 1.598 1.00 0.00 H new ATOM 929 N ALA A 269 6.448 -13.047 0.863 1.00 0.00 N ATOM 930 CA ALA A 269 5.015 -12.785 0.901 1.00 0.00 C ATOM 931 C ALA A 269 4.640 -11.958 2.126 1.00 0.00 C ATOM 932 O ALA A 269 3.727 -11.134 2.075 1.00 0.00 O ATOM 933 CB ALA A 269 4.238 -14.093 0.887 1.00 0.00 C ATOM 0 H ALA A 269 6.699 -13.971 0.511 1.00 0.00 H new ATOM 0 HA ALA A 269 4.753 -12.210 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.169 -13.882 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.474 -14.647 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.513 -14.689 1.757 1.00 0.00 H new ATOM 939 N ASP A 270 5.349 -12.185 3.226 1.00 0.00 N ATOM 940 CA ASP A 270 5.091 -11.460 4.465 1.00 0.00 C ATOM 941 C ASP A 270 5.223 -9.956 4.253 1.00 0.00 C ATOM 942 O ASP A 270 4.334 -9.187 4.618 1.00 0.00 O ATOM 943 CB ASP A 270 6.055 -11.920 5.560 1.00 0.00 C ATOM 944 CG ASP A 270 5.692 -13.282 6.117 1.00 0.00 C ATOM 945 OD1 ASP A 270 6.010 -14.295 5.460 1.00 0.00 O ATOM 946 OD2 ASP A 270 5.088 -13.336 7.209 1.00 0.00 O ATOM 0 H ASP A 270 6.107 -12.865 3.285 1.00 0.00 H new ATOM 0 HA ASP A 270 4.069 -11.676 4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 270 7.068 -11.953 5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 270 6.057 -11.189 6.369 1.00 0.00 H new ATOM 951 N ALA A 271 6.338 -9.542 3.660 1.00 0.00 N ATOM 952 CA ALA A 271 6.586 -8.130 3.398 1.00 0.00 C ATOM 953 C ALA A 271 5.456 -7.517 2.578 1.00 0.00 C ATOM 954 O ALA A 271 4.714 -6.664 3.064 1.00 0.00 O ATOM 955 CB ALA A 271 7.917 -7.952 2.683 1.00 0.00 C ATOM 0 H ALA A 271 7.084 -10.165 3.352 1.00 0.00 H new ATOM 0 HA ALA A 271 6.628 -7.610 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 271 8.089 -6.893 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.720 -8.345 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 271 7.896 -8.491 1.736 1.00 0.00 H new ATOM 961 N VAL A 272 5.331 -7.958 1.330 1.00 0.00 N ATOM 962 CA VAL A 272 4.291 -7.453 0.442 1.00 0.00 C ATOM 963 C VAL A 272 2.922 -7.510 1.110 1.00 0.00 C ATOM 964 O VAL A 272 2.122 -6.582 0.993 1.00 0.00 O ATOM 965 CB VAL A 272 4.241 -8.251 -0.875 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.329 -7.779 -1.827 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.372 -9.741 -0.600 1.00 0.00 C ATOM 0 H VAL A 272 5.937 -8.664 0.911 1.00 0.00 H new ATOM 0 HA VAL A 272 4.541 -6.415 0.220 1.00 0.00 H new ATOM 0 HB VAL A 272 3.275 -8.076 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.278 -8.354 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.185 -6.722 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.305 -7.923 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.335 -10.289 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.322 -9.937 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.553 -10.066 0.042 1.00 0.00 H new ATOM 977 N LYS A 273 2.658 -8.607 1.812 1.00 0.00 N ATOM 978 CA LYS A 273 1.386 -8.787 2.502 1.00 0.00 C ATOM 979 C LYS A 273 1.124 -7.636 3.468 1.00 0.00 C ATOM 980 O LYS A 273 0.069 -7.003 3.424 1.00 0.00 O ATOM 981 CB LYS A 273 1.377 -10.116 3.260 1.00 0.00 C ATOM 982 CG LYS A 273 1.043 -11.313 2.387 1.00 0.00 C ATOM 983 CD LYS A 273 1.402 -12.621 3.072 1.00 0.00 C ATOM 984 CE LYS A 273 0.364 -13.008 4.114 1.00 0.00 C ATOM 985 NZ LYS A 273 -0.855 -13.596 3.492 1.00 0.00 N ATOM 0 H LYS A 273 3.309 -9.385 1.918 1.00 0.00 H new ATOM 0 HA LYS A 273 0.593 -8.798 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.355 -10.271 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.653 -10.056 4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -0.021 -11.306 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.581 -11.237 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 273 1.484 -13.412 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 273 2.379 -12.528 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 273 0.798 -13.725 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 273 0.087 -12.128 4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -1.538 -13.846 4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -1.284 -12.903 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -0.595 -14.450 2.959 1.00 0.00 H new ATOM 999 N LYS A 274 2.091 -7.369 4.339 1.00 0.00 N ATOM 1000 CA LYS A 274 1.967 -6.293 5.315 1.00 0.00 C ATOM 1001 C LYS A 274 1.726 -4.955 4.622 1.00 0.00 C ATOM 1002 O LYS A 274 0.814 -4.213 4.985 1.00 0.00 O ATOM 1003 CB LYS A 274 3.227 -6.212 6.179 1.00 0.00 C ATOM 1004 CG LYS A 274 2.969 -5.698 7.585 1.00 0.00 C ATOM 1005 CD LYS A 274 4.245 -5.192 8.236 1.00 0.00 C ATOM 1006 CE LYS A 274 3.944 -4.316 9.443 1.00 0.00 C ATOM 1007 NZ LYS A 274 5.190 -3.828 10.098 1.00 0.00 N ATOM 0 H LYS A 274 2.970 -7.884 4.389 1.00 0.00 H new ATOM 0 HA LYS A 274 1.110 -6.512 5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.679 -7.202 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 274 3.951 -5.560 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.234 -4.894 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 274 2.541 -6.496 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.859 -6.039 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.826 -4.625 7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 274 3.339 -3.464 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 274 3.352 -4.881 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 4.943 -3.235 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 5.755 -4.640 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 5.743 -3.268 9.418 1.00 0.00 H new ATOM 1021 N ALA A 275 2.549 -4.656 3.622 1.00 0.00 N ATOM 1022 CA ALA A 275 2.422 -3.410 2.876 1.00 0.00 C ATOM 1023 C ALA A 275 1.102 -3.357 2.115 1.00 0.00 C ATOM 1024 O ALA A 275 0.532 -2.284 1.916 1.00 0.00 O ATOM 1025 CB ALA A 275 3.593 -3.247 1.918 1.00 0.00 C ATOM 0 H ALA A 275 3.310 -5.259 3.310 1.00 0.00 H new ATOM 0 HA ALA A 275 2.433 -2.586 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.485 -2.312 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.525 -3.230 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.608 -4.081 1.217 1.00 0.00 H new ATOM 1031 N ARG A 276 0.622 -4.521 1.691 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.631 -4.606 0.950 1.00 0.00 C ATOM 1033 C ARG A 276 -1.792 -4.071 1.782 1.00 0.00 C ATOM 1034 O ARG A 276 -2.616 -3.299 1.293 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.907 -6.054 0.539 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.219 -6.235 -0.207 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.305 -7.607 -0.858 1.00 0.00 C ATOM 1038 NE ARG A 276 -2.796 -8.623 0.069 1.00 0.00 N ATOM 1039 CZ ARG A 276 -4.052 -8.680 0.498 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -4.938 -7.785 0.086 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -4.423 -9.635 1.342 1.00 0.00 N ATOM 0 H ARG A 276 1.081 -5.418 1.848 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.537 -3.993 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 276 -0.089 -6.407 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.916 -6.681 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -3.052 -6.106 0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.315 -5.462 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -2.965 -7.557 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -1.320 -7.897 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 276 -2.139 -9.327 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -4.656 -7.050 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -5.902 -7.831 0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -3.744 -10.325 1.661 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -5.387 -9.678 1.671 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.852 -4.488 3.043 1.00 0.00 N ATOM 1056 CA GLY A 277 -2.917 -4.042 3.922 1.00 0.00 C ATOM 1057 C GLY A 277 -3.118 -2.540 3.873 1.00 0.00 C ATOM 1058 O GLY A 277 -4.191 -2.039 4.207 1.00 0.00 O ATOM 0 H GLY A 277 -1.182 -5.127 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.846 -4.539 3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.689 -4.342 4.945 1.00 0.00 H new ATOM 1062 N PHE A 278 -2.082 -1.819 3.457 1.00 0.00 N ATOM 1063 CA PHE A 278 -2.148 -0.365 3.368 1.00 0.00 C ATOM 1064 C PHE A 278 -2.743 0.071 2.032 1.00 0.00 C ATOM 1065 O PHE A 278 -3.670 0.881 1.987 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.755 0.242 3.541 1.00 0.00 C ATOM 1067 CG PHE A 278 -0.201 0.087 4.929 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -0.963 0.429 6.035 1.00 0.00 C ATOM 1069 CD2 PHE A 278 1.080 -0.402 5.127 1.00 0.00 C ATOM 1070 CE1 PHE A 278 -0.456 0.288 7.312 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.592 -0.546 6.403 1.00 0.00 C ATOM 1072 CZ PHE A 278 0.823 -0.201 7.497 1.00 0.00 C ATOM 0 H PHE A 278 -1.186 -2.218 3.176 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.795 -0.006 4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 278 -0.073 -0.227 2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.796 1.302 3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.964 0.810 5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.685 -0.674 4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -1.059 0.560 8.166 1.00 0.00 H new ATOM 0 HE2 PHE A 278 2.592 -0.928 6.544 1.00 0.00 H new ATOM 0 HZ PHE A 278 1.220 -0.313 8.495 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.203 -0.471 0.946 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.679 -0.138 -0.392 1.00 0.00 C ATOM 1084 C LEU A 279 -4.082 -0.691 -0.625 1.00 0.00 C ATOM 1085 O LEU A 279 -4.722 -0.382 -1.629 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.720 -0.689 -1.448 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.304 -0.112 -1.435 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.613 -0.927 -2.334 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.319 1.347 -1.868 1.00 0.00 C ATOM 0 H LEU A 279 -1.436 -1.143 0.966 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.718 0.948 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.652 -1.769 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.154 -0.512 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 279 0.080 -0.164 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.616 -0.501 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.648 -1.957 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 279 0.233 -0.907 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.697 1.741 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.723 1.423 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -0.942 1.923 -1.184 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.553 -1.508 0.312 1.00 0.00 N ATOM 1102 CA GLU A 280 -5.880 -2.103 0.209 1.00 0.00 C ATOM 1103 C GLU A 280 -6.963 -1.029 0.266 1.00 0.00 C ATOM 1104 O GLU A 280 -6.869 -0.077 1.041 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.096 -3.120 1.331 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.431 -4.461 1.073 1.00 0.00 C ATOM 1107 CD GLU A 280 -6.325 -5.419 0.310 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -6.314 -5.373 -0.938 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -7.035 -6.214 0.960 1.00 0.00 O ATOM 0 H GLU A 280 -4.036 -1.773 1.150 1.00 0.00 H new ATOM 0 HA GLU A 280 -5.948 -2.613 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -5.712 -2.707 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.166 -3.275 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -4.510 -4.304 0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -5.150 -4.912 2.025 1.00 0.00 H new