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= 0.0483 USER MOD Set 1.2: A 261 THR OG1 : rot 91:sc= -2.84! USER MOD Single : A 220 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 230 MET CE :methyl -166:sc= -0.776 (180deg=-1.18) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 240 ASN : amide:sc= -3.6! C(o=-3.6!,f=-8.4!) USER MOD Single : A 242 GLN : amide:sc= -6.93! C(o=-6.9!,f=-14!) USER MOD Single : A 243 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 THR OG1 : rot 117:sc= -0.926 USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot 180:sc= 0 USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 12.288 -9.512 -6.443 1.00 0.00 N ATOM 149 CA ALA A 217 11.507 -9.941 -5.290 1.00 0.00 C ATOM 150 C ALA A 217 10.890 -11.316 -5.526 1.00 0.00 C ATOM 151 O ALA A 217 10.154 -11.519 -6.491 1.00 0.00 O ATOM 152 CB ALA A 217 10.422 -8.921 -4.978 1.00 0.00 C ATOM 0 HA ALA A 217 12.179 -10.014 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.847 -9.255 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.881 -7.957 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.760 -8.819 -5.838 1.00 0.00 H new ATOM 158 N ALA A 218 11.195 -12.257 -4.638 1.00 0.00 N ATOM 159 CA ALA A 218 10.669 -13.612 -4.750 1.00 0.00 C ATOM 160 C ALA A 218 9.145 -13.608 -4.776 1.00 0.00 C ATOM 161 O ALA A 218 8.524 -14.398 -5.489 1.00 0.00 O ATOM 162 CB ALA A 218 11.178 -14.471 -3.601 1.00 0.00 C ATOM 0 H ALA A 218 11.803 -12.106 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 218 11.021 -14.037 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.778 -15.480 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.267 -14.508 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.854 -14.040 -2.654 1.00 0.00 H new ATOM 168 N PHE A 219 8.546 -12.716 -3.994 1.00 0.00 N ATOM 169 CA PHE A 219 7.093 -12.612 -3.926 1.00 0.00 C ATOM 170 C PHE A 219 6.618 -11.271 -4.478 1.00 0.00 C ATOM 171 O PHE A 219 7.234 -10.233 -4.233 1.00 0.00 O ATOM 172 CB PHE A 219 6.615 -12.780 -2.482 1.00 0.00 C ATOM 173 CG PHE A 219 6.697 -14.195 -1.985 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.918 -14.753 -1.641 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.554 -14.968 -1.861 1.00 0.00 C ATOM 176 CE1 PHE A 219 7.997 -16.055 -1.183 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.626 -16.270 -1.404 1.00 0.00 C ATOM 178 CZ PHE A 219 6.849 -16.814 -1.064 1.00 0.00 C ATOM 0 H PHE A 219 9.044 -12.055 -3.398 1.00 0.00 H new ATOM 0 HA PHE A 219 6.668 -13.408 -4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 219 7.213 -12.140 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.583 -12.436 -2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.819 -14.164 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.595 -14.548 -2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 219 8.955 -16.478 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 219 4.727 -16.862 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 219 6.908 -17.831 -0.706 1.00 0.00 H new ATOM 188 N HIS A 220 5.519 -11.301 -5.225 1.00 0.00 N ATOM 189 CA HIS A 220 4.960 -10.088 -5.812 1.00 0.00 C ATOM 190 C HIS A 220 3.438 -10.086 -5.709 1.00 0.00 C ATOM 191 O HIS A 220 2.790 -11.105 -5.946 1.00 0.00 O ATOM 192 CB HIS A 220 5.384 -9.963 -7.275 1.00 0.00 C ATOM 193 CG HIS A 220 5.041 -11.163 -8.103 1.00 0.00 C ATOM 194 ND1 HIS A 220 5.819 -12.301 -8.138 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.995 -11.399 -8.929 1.00 0.00 C ATOM 196 CE1 HIS A 220 5.268 -13.184 -8.950 1.00 0.00 C ATOM 197 NE2 HIS A 220 4.159 -12.662 -9.443 1.00 0.00 N ATOM 0 H HIS A 220 4.998 -12.152 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 220 5.345 -9.233 -5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.907 -9.084 -7.709 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.460 -9.797 -7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 220 3.183 -10.720 -9.144 1.00 0.00 H new ATOM 0 HE1 HIS A 220 5.658 -14.166 -9.173 1.00 0.00 H new ATOM 0 HE2 HIS A 220 3.527 -13.122 -10.099 1.00 0.00 H new ATOM 205 N GLU A 221 2.875 -8.936 -5.352 1.00 0.00 N ATOM 206 CA GLU A 221 1.429 -8.803 -5.216 1.00 0.00 C ATOM 207 C GLU A 221 0.867 -7.861 -6.277 1.00 0.00 C ATOM 208 O GLU A 221 1.335 -6.734 -6.431 1.00 0.00 O ATOM 209 CB GLU A 221 1.071 -8.289 -3.821 1.00 0.00 C ATOM 210 CG GLU A 221 1.417 -9.262 -2.706 1.00 0.00 C ATOM 211 CD GLU A 221 0.420 -10.398 -2.593 1.00 0.00 C ATOM 212 OE1 GLU A 221 0.550 -11.379 -3.355 1.00 0.00 O ATOM 213 OE2 GLU A 221 -0.490 -10.307 -1.743 1.00 0.00 O ATOM 0 H GLU A 221 3.398 -8.083 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 221 0.984 -9.788 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.592 -7.348 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 221 0.003 -8.074 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 221 2.411 -9.672 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 221 1.458 -8.724 -1.759 1.00 0.00 H new ATOM 220 N GLU A 222 -0.139 -8.334 -7.007 1.00 0.00 N ATOM 221 CA GLU A 222 -0.763 -7.535 -8.054 1.00 0.00 C ATOM 222 C GLU A 222 -2.284 -7.636 -7.982 1.00 0.00 C ATOM 223 O GLU A 222 -2.860 -8.692 -8.243 1.00 0.00 O ATOM 224 CB GLU A 222 -0.276 -7.988 -9.432 1.00 0.00 C ATOM 225 CG GLU A 222 -1.124 -7.466 -10.580 1.00 0.00 C ATOM 226 CD GLU A 222 -2.419 -8.236 -10.746 1.00 0.00 C ATOM 227 OE1 GLU A 222 -2.393 -9.478 -10.618 1.00 0.00 O ATOM 228 OE2 GLU A 222 -3.460 -7.596 -11.004 1.00 0.00 O ATOM 0 H GLU A 222 -0.538 -9.266 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.477 -6.495 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 222 0.753 -7.656 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -0.267 -9.077 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -1.351 -6.414 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -0.551 -7.523 -11.505 1.00 0.00 H new ATOM 235 N PHE A 223 -2.929 -6.530 -7.625 1.00 0.00 N ATOM 236 CA PHE A 223 -4.383 -6.494 -7.516 1.00 0.00 C ATOM 237 C PHE A 223 -4.936 -5.182 -8.064 1.00 0.00 C ATOM 238 O PHE A 223 -4.224 -4.181 -8.148 1.00 0.00 O ATOM 239 CB PHE A 223 -4.811 -6.671 -6.058 1.00 0.00 C ATOM 240 CG PHE A 223 -4.073 -5.777 -5.103 1.00 0.00 C ATOM 241 CD1 PHE A 223 -2.809 -6.119 -4.650 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.643 -4.596 -4.658 1.00 0.00 C ATOM 243 CE1 PHE A 223 -2.126 -5.298 -3.772 1.00 0.00 C ATOM 244 CE2 PHE A 223 -3.966 -3.771 -3.780 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.706 -4.123 -3.335 1.00 0.00 C ATOM 0 H PHE A 223 -2.468 -5.647 -7.406 1.00 0.00 H new ATOM 0 HA PHE A 223 -4.788 -7.315 -8.108 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -5.880 -6.474 -5.975 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.655 -7.709 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.352 -7.038 -4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.628 -4.316 -5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -1.140 -5.575 -3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -4.421 -2.852 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 223 -2.176 -3.481 -2.647 1.00 0.00 H new ATOM 255 N VAL A 224 -6.212 -5.195 -8.437 1.00 0.00 N ATOM 256 CA VAL A 224 -6.863 -4.007 -8.977 1.00 0.00 C ATOM 257 C VAL A 224 -7.768 -3.356 -7.938 1.00 0.00 C ATOM 258 O VAL A 224 -8.612 -4.016 -7.332 1.00 0.00 O ATOM 259 CB VAL A 224 -7.695 -4.343 -10.229 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.281 -3.077 -10.836 1.00 0.00 C ATOM 261 CG2 VAL A 224 -6.848 -5.091 -11.247 1.00 0.00 C ATOM 0 H VAL A 224 -6.815 -6.015 -8.375 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.072 -3.310 -9.252 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.520 -4.990 -9.933 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -8.866 -3.334 -11.719 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -8.924 -2.587 -10.105 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.474 -2.402 -11.119 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.452 -5.320 -12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.001 -4.471 -11.541 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.483 -6.018 -10.806 1.00 0.00 H new ATOM 271 N VAL A 225 -7.587 -2.054 -7.735 1.00 0.00 N ATOM 272 CA VAL A 225 -8.388 -1.312 -6.769 1.00 0.00 C ATOM 273 C VAL A 225 -9.340 -0.349 -7.470 1.00 0.00 C ATOM 274 O VAL A 225 -8.967 0.312 -8.439 1.00 0.00 O ATOM 275 CB VAL A 225 -7.499 -0.519 -5.793 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.323 0.512 -5.038 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.795 -1.462 -4.828 1.00 0.00 C ATOM 0 H VAL A 225 -6.892 -1.492 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 225 -8.966 -2.045 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.739 0.010 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.678 1.063 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -8.776 1.206 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -9.107 0.008 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -6.171 -0.885 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.538 -2.020 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.171 -2.158 -5.389 1.00 0.00 H new ATOM 287 N ARG A 226 -10.570 -0.274 -6.972 1.00 0.00 N ATOM 288 CA ARG A 226 -11.576 0.609 -7.550 1.00 0.00 C ATOM 289 C ARG A 226 -11.086 2.054 -7.568 1.00 0.00 C ATOM 290 O ARG A 226 -10.642 2.581 -6.548 1.00 0.00 O ATOM 291 CB ARG A 226 -12.883 0.512 -6.763 1.00 0.00 C ATOM 292 CG ARG A 226 -13.828 -0.560 -7.280 1.00 0.00 C ATOM 293 CD ARG A 226 -14.927 -0.868 -6.274 1.00 0.00 C ATOM 294 NE ARG A 226 -14.543 -1.934 -5.354 1.00 0.00 N ATOM 295 CZ ARG A 226 -14.677 -3.227 -5.629 1.00 0.00 C ATOM 296 NH1 ARG A 226 -15.183 -3.611 -6.793 1.00 0.00 N ATOM 297 NH2 ARG A 226 -14.305 -4.139 -4.740 1.00 0.00 N ATOM 0 H ARG A 226 -10.894 -0.814 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.754 0.292 -8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.653 0.308 -5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.389 1.477 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -14.274 -0.231 -8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -13.266 -1.469 -7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -15.162 0.033 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -15.834 -1.157 -6.805 1.00 0.00 H new ATOM 0 HE ARG A 226 -14.150 -1.672 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -15.470 -2.913 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -15.285 -4.604 -7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -13.915 -3.848 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -14.409 -5.131 -4.953 1.00 0.00 H new ATOM 311 N GLU A 227 -11.169 2.687 -8.734 1.00 0.00 N ATOM 312 CA GLU A 227 -10.733 4.071 -8.883 1.00 0.00 C ATOM 313 C GLU A 227 -11.444 4.977 -7.883 1.00 0.00 C ATOM 314 O GLU A 227 -10.998 6.092 -7.613 1.00 0.00 O ATOM 315 CB GLU A 227 -10.996 4.561 -10.309 1.00 0.00 C ATOM 316 CG GLU A 227 -12.468 4.568 -10.688 1.00 0.00 C ATOM 317 CD GLU A 227 -12.690 4.853 -12.160 1.00 0.00 C ATOM 318 OE1 GLU A 227 -12.060 5.796 -12.684 1.00 0.00 O ATOM 319 OE2 GLU A 227 -13.493 4.133 -12.789 1.00 0.00 O ATOM 0 H GLU A 227 -11.533 2.265 -9.588 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.662 4.111 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -10.597 5.569 -10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -10.452 3.926 -11.009 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -12.908 3.603 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -12.989 5.319 -10.094 1.00 0.00 H new ATOM 326 N ASP A 228 -12.553 4.490 -7.337 1.00 0.00 N ATOM 327 CA ASP A 228 -13.327 5.254 -6.365 1.00 0.00 C ATOM 328 C ASP A 228 -12.768 5.069 -4.958 1.00 0.00 C ATOM 329 O ASP A 228 -12.835 5.976 -4.127 1.00 0.00 O ATOM 330 CB ASP A 228 -14.796 4.830 -6.404 1.00 0.00 C ATOM 331 CG ASP A 228 -15.664 5.665 -5.484 1.00 0.00 C ATOM 332 OD1 ASP A 228 -15.524 6.906 -5.500 1.00 0.00 O ATOM 333 OD2 ASP A 228 -16.485 5.078 -4.748 1.00 0.00 O ATOM 0 H ASP A 228 -12.936 3.569 -7.551 1.00 0.00 H new ATOM 0 HA ASP A 228 -13.255 6.309 -6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -15.168 4.914 -7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -14.876 3.781 -6.121 1.00 0.00 H new ATOM 338 N LEU A 229 -12.216 3.889 -4.697 1.00 0.00 N ATOM 339 CA LEU A 229 -11.646 3.584 -3.389 1.00 0.00 C ATOM 340 C LEU A 229 -10.165 3.948 -3.343 1.00 0.00 C ATOM 341 O LEU A 229 -9.606 4.179 -2.271 1.00 0.00 O ATOM 342 CB LEU A 229 -11.829 2.100 -3.065 1.00 0.00 C ATOM 343 CG LEU A 229 -13.240 1.670 -2.663 1.00 0.00 C ATOM 344 CD1 LEU A 229 -13.330 0.154 -2.572 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.636 2.310 -1.340 1.00 0.00 C ATOM 0 H LEU A 229 -12.151 3.128 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 229 -12.171 4.180 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -11.528 1.519 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -11.147 1.838 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.935 2.010 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -14.341 -0.134 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -13.090 -0.284 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.624 -0.208 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.643 1.993 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.937 2.001 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.612 3.395 -1.439 1.00 0.00 H new ATOM 357 N MET A 230 -9.537 3.999 -4.512 1.00 0.00 N ATOM 358 CA MET A 230 -8.122 4.339 -4.605 1.00 0.00 C ATOM 359 C MET A 230 -7.797 5.555 -3.743 1.00 0.00 C ATOM 360 O MET A 230 -6.941 5.492 -2.862 1.00 0.00 O ATOM 361 CB MET A 230 -7.735 4.613 -6.060 1.00 0.00 C ATOM 362 CG MET A 230 -7.535 3.351 -6.883 1.00 0.00 C ATOM 363 SD MET A 230 -7.041 3.701 -8.581 1.00 0.00 S ATOM 364 CE MET A 230 -5.305 3.262 -8.526 1.00 0.00 C ATOM 0 H MET A 230 -9.985 3.809 -5.408 1.00 0.00 H new ATOM 0 HA MET A 230 -7.546 3.490 -4.237 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.511 5.221 -6.525 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.816 5.199 -6.079 1.00 0.00 H new ATOM 0 HG2 MET A 230 -6.776 2.729 -6.409 1.00 0.00 H new ATOM 0 HG3 MET A 230 -8.461 2.775 -6.889 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.803 3.650 -9.412 1.00 0.00 H new ATOM 0 HE2 MET A 230 -4.849 3.691 -7.634 1.00 0.00 H new ATOM 0 HE3 MET A 230 -5.205 2.177 -8.498 1.00 0.00 H new ATOM 374 N GLY A 231 -8.487 6.661 -4.003 1.00 0.00 N ATOM 375 CA GLY A 231 -8.257 7.875 -3.243 1.00 0.00 C ATOM 376 C GLY A 231 -8.038 7.603 -1.768 1.00 0.00 C ATOM 377 O GLY A 231 -6.974 7.902 -1.224 1.00 0.00 O ATOM 0 H GLY A 231 -9.202 6.738 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -7.387 8.393 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -9.110 8.542 -3.363 1.00 0.00 H new ATOM 381 N LEU A 232 -9.048 7.035 -1.117 1.00 0.00 N ATOM 382 CA LEU A 232 -8.962 6.724 0.306 1.00 0.00 C ATOM 383 C LEU A 232 -7.829 5.739 0.580 1.00 0.00 C ATOM 384 O LEU A 232 -7.067 5.905 1.532 1.00 0.00 O ATOM 385 CB LEU A 232 -10.288 6.144 0.802 1.00 0.00 C ATOM 386 CG LEU A 232 -11.431 7.144 0.984 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.736 6.416 1.267 1.00 0.00 C ATOM 388 CD2 LEU A 232 -11.110 8.122 2.105 1.00 0.00 C ATOM 0 H LEU A 232 -9.935 6.781 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.753 7.649 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.612 5.377 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -10.110 5.648 1.756 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.546 7.708 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.538 7.143 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.973 5.756 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.634 5.826 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -11.934 8.826 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -10.968 7.574 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.198 8.667 1.862 1.00 0.00 H new ATOM 400 N ALA A 233 -7.724 4.716 -0.261 1.00 0.00 N ATOM 401 CA ALA A 233 -6.683 3.708 -0.112 1.00 0.00 C ATOM 402 C ALA A 233 -5.305 4.353 -0.002 1.00 0.00 C ATOM 403 O ALA A 233 -4.469 3.923 0.793 1.00 0.00 O ATOM 404 CB ALA A 233 -6.720 2.734 -1.280 1.00 0.00 C ATOM 0 H ALA A 233 -8.348 4.564 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.873 3.159 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.937 1.986 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.691 2.240 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.559 3.277 -2.211 1.00 0.00 H new ATOM 410 N ILE A 234 -5.076 5.387 -0.805 1.00 0.00 N ATOM 411 CA ILE A 234 -3.800 6.091 -0.797 1.00 0.00 C ATOM 412 C ILE A 234 -3.709 7.051 0.384 1.00 0.00 C ATOM 413 O ILE A 234 -2.645 7.225 0.976 1.00 0.00 O ATOM 414 CB ILE A 234 -3.584 6.880 -2.102 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.620 5.936 -3.306 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.264 7.635 -2.053 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.395 6.635 -4.629 1.00 0.00 C ATOM 0 H ILE A 234 -5.757 5.755 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 234 -3.022 5.333 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.391 7.605 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.859 5.166 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.585 5.429 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -2.126 8.187 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -2.274 8.332 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.445 6.927 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.434 5.905 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -4.171 7.386 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.418 7.119 -4.623 1.00 0.00 H new ATOM 429 N GLY A 235 -4.835 7.672 0.724 1.00 0.00 N ATOM 430 CA GLY A 235 -4.862 8.605 1.834 1.00 0.00 C ATOM 431 C GLY A 235 -4.557 10.027 1.405 1.00 0.00 C ATOM 432 O GLY A 235 -4.766 10.392 0.247 1.00 0.00 O ATOM 0 H GLY A 235 -5.729 7.545 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.844 8.574 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -4.137 8.292 2.585 1.00 0.00 H new ATOM 436 N THR A 236 -4.063 10.833 2.339 1.00 0.00 N ATOM 437 CA THR A 236 -3.731 12.223 2.052 1.00 0.00 C ATOM 438 C THR A 236 -2.275 12.364 1.627 1.00 0.00 C ATOM 439 O THR A 236 -1.396 11.675 2.146 1.00 0.00 O ATOM 440 CB THR A 236 -3.987 13.125 3.274 1.00 0.00 C ATOM 441 OG1 THR A 236 -5.285 12.858 3.818 1.00 0.00 O ATOM 442 CG2 THR A 236 -3.884 14.594 2.894 1.00 0.00 C ATOM 0 H THR A 236 -3.884 10.547 3.302 1.00 0.00 H new ATOM 0 HA THR A 236 -4.377 12.540 1.234 1.00 0.00 H new ATOM 0 HB THR A 236 -3.227 12.906 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 236 -5.439 13.434 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 236 -4.069 15.211 3.773 1.00 0.00 H new ATOM 0 HG22 THR A 236 -2.886 14.801 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 236 -4.624 14.824 2.127 1.00 0.00 H new ATOM 450 N HIS A 237 -2.025 13.262 0.678 1.00 0.00 N ATOM 451 CA HIS A 237 -0.672 13.494 0.184 1.00 0.00 C ATOM 452 C HIS A 237 0.128 12.195 0.158 1.00 0.00 C ATOM 453 O HIS A 237 1.261 12.143 0.635 1.00 0.00 O ATOM 454 CB HIS A 237 0.041 14.529 1.054 1.00 0.00 C ATOM 455 CG HIS A 237 -0.353 15.942 0.749 1.00 0.00 C ATOM 456 ND1 HIS A 237 0.552 16.982 0.701 1.00 0.00 N ATOM 457 CD2 HIS A 237 -1.562 16.484 0.473 1.00 0.00 C ATOM 458 CE1 HIS A 237 -0.084 18.103 0.411 1.00 0.00 C ATOM 459 NE2 HIS A 237 -1.368 17.828 0.267 1.00 0.00 N ATOM 0 H HIS A 237 -2.740 13.840 0.237 1.00 0.00 H new ATOM 0 HA HIS A 237 -0.744 13.875 -0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 237 -0.172 14.319 2.102 1.00 0.00 H new ATOM 0 HB3 HIS A 237 1.118 14.424 0.921 1.00 0.00 H new ATOM 0 HD2 HIS A 237 -2.504 15.958 0.424 1.00 0.00 H new ATOM 0 HE1 HIS A 237 0.369 19.078 0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 237 -2.097 18.504 0.040 1.00 0.00 H new ATOM 467 N GLY A 238 -0.470 11.148 -0.401 1.00 0.00 N ATOM 468 CA GLY A 238 0.201 9.863 -0.477 1.00 0.00 C ATOM 469 C GLY A 238 0.654 9.365 0.881 1.00 0.00 C ATOM 470 O GLY A 238 1.843 9.137 1.101 1.00 0.00 O ATOM 0 H GLY A 238 -1.407 11.166 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.472 9.131 -0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.065 9.946 -1.137 1.00 0.00 H new ATOM 474 N SER A 239 -0.297 9.197 1.795 1.00 0.00 N ATOM 475 CA SER A 239 0.012 8.727 3.141 1.00 0.00 C ATOM 476 C SER A 239 0.174 7.210 3.163 1.00 0.00 C ATOM 477 O SER A 239 1.252 6.695 3.456 1.00 0.00 O ATOM 478 CB SER A 239 -1.090 9.148 4.115 1.00 0.00 C ATOM 479 OG SER A 239 -0.659 9.017 5.459 1.00 0.00 O ATOM 0 H SER A 239 -1.287 9.379 1.628 1.00 0.00 H new ATOM 0 HA SER A 239 0.954 9.180 3.451 1.00 0.00 H new ATOM 0 HB2 SER A 239 -1.376 10.182 3.921 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.977 8.536 3.953 1.00 0.00 H new ATOM 0 HG SER A 239 -1.380 9.294 6.062 1.00 0.00 H new ATOM 485 N ASN A 240 -0.906 6.501 2.851 1.00 0.00 N ATOM 486 CA ASN A 240 -0.885 5.043 2.835 1.00 0.00 C ATOM 487 C ASN A 240 0.341 4.525 2.090 1.00 0.00 C ATOM 488 O ASN A 240 1.179 3.827 2.662 1.00 0.00 O ATOM 489 CB ASN A 240 -2.159 4.501 2.183 1.00 0.00 C ATOM 490 CG ASN A 240 -3.411 4.900 2.941 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.682 6.085 3.133 1.00 0.00 O ATOM 492 ND2 ASN A 240 -4.180 3.908 3.376 1.00 0.00 N ATOM 0 H ASN A 240 -1.807 6.913 2.606 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.836 4.694 3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -2.225 4.869 1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -2.102 3.414 2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -5.035 4.114 3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.916 2.940 3.193 1.00 0.00 H new ATOM 499 N ILE A 241 0.440 4.871 0.811 1.00 0.00 N ATOM 500 CA ILE A 241 1.564 4.442 -0.012 1.00 0.00 C ATOM 501 C ILE A 241 2.883 4.597 0.737 1.00 0.00 C ATOM 502 O ILE A 241 3.590 3.619 0.976 1.00 0.00 O ATOM 503 CB ILE A 241 1.636 5.241 -1.327 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.488 4.840 -2.256 1.00 0.00 C ATOM 505 CG2 ILE A 241 2.978 5.019 -2.008 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.538 5.520 -3.606 1.00 0.00 C ATOM 0 H ILE A 241 -0.245 5.447 0.322 1.00 0.00 H new ATOM 0 HA ILE A 241 1.402 3.389 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 241 1.538 6.302 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.509 3.760 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.460 5.078 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 241 3.014 5.590 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.780 5.349 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 241 3.103 3.959 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.305 5.189 -4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.486 6.600 -3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.470 5.262 -4.109 1.00 0.00 H new ATOM 518 N GLN A 242 3.207 5.833 1.104 1.00 0.00 N ATOM 519 CA GLN A 242 4.442 6.115 1.827 1.00 0.00 C ATOM 520 C GLN A 242 4.672 5.090 2.933 1.00 0.00 C ATOM 521 O GLN A 242 5.782 4.589 3.105 1.00 0.00 O ATOM 522 CB GLN A 242 4.399 7.524 2.422 1.00 0.00 C ATOM 523 CG GLN A 242 4.908 8.599 1.476 1.00 0.00 C ATOM 524 CD GLN A 242 4.179 8.600 0.147 1.00 0.00 C ATOM 525 OE1 GLN A 242 3.988 7.552 -0.470 1.00 0.00 O ATOM 526 NE2 GLN A 242 3.767 9.780 -0.302 1.00 0.00 N ATOM 0 H GLN A 242 2.633 6.654 0.913 1.00 0.00 H new ATOM 0 HA GLN A 242 5.270 6.051 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.373 7.758 2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 242 4.995 7.543 3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 242 4.797 9.575 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 242 5.973 8.449 1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 242 3.947 10.624 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 242 3.271 9.842 -1.191 1.00 0.00 H new ATOM 535 N GLN A 243 3.615 4.785 3.679 1.00 0.00 N ATOM 536 CA GLN A 243 3.703 3.821 4.769 1.00 0.00 C ATOM 537 C GLN A 243 4.044 2.431 4.241 1.00 0.00 C ATOM 538 O GLN A 243 4.988 1.794 4.707 1.00 0.00 O ATOM 539 CB GLN A 243 2.386 3.774 5.545 1.00 0.00 C ATOM 540 CG GLN A 243 2.197 4.948 6.493 1.00 0.00 C ATOM 541 CD GLN A 243 0.774 5.063 7.003 1.00 0.00 C ATOM 542 OE1 GLN A 243 -0.150 5.351 6.241 1.00 0.00 O ATOM 543 NE2 GLN A 243 0.589 4.837 8.299 1.00 0.00 N ATOM 0 H GLN A 243 2.689 5.191 3.548 1.00 0.00 H new ATOM 0 HA GLN A 243 4.501 4.142 5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 243 1.557 3.752 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.343 2.846 6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.875 4.839 7.340 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.471 5.871 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.383 4.601 8.894 1.00 0.00 H new ATOM 0 HE22 GLN A 243 -0.347 4.899 8.699 1.00 0.00 H new ATOM 552 N ALA A 244 3.270 1.968 3.265 1.00 0.00 N ATOM 553 CA ALA A 244 3.491 0.655 2.672 1.00 0.00 C ATOM 554 C ALA A 244 4.953 0.470 2.279 1.00 0.00 C ATOM 555 O ALA A 244 5.516 -0.614 2.438 1.00 0.00 O ATOM 556 CB ALA A 244 2.589 0.463 1.462 1.00 0.00 C ATOM 0 H ALA A 244 2.484 2.483 2.868 1.00 0.00 H new ATOM 0 HA ALA A 244 3.244 -0.100 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 244 2.765 -0.522 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.546 0.543 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 244 2.809 1.230 0.719 1.00 0.00 H new ATOM 562 N ARG A 245 5.562 1.533 1.765 1.00 0.00 N ATOM 563 CA ARG A 245 6.958 1.486 1.347 1.00 0.00 C ATOM 564 C ARG A 245 7.886 1.431 2.558 1.00 0.00 C ATOM 565 O ARG A 245 9.033 0.995 2.455 1.00 0.00 O ATOM 566 CB ARG A 245 7.296 2.705 0.487 1.00 0.00 C ATOM 567 CG ARG A 245 8.780 2.847 0.188 1.00 0.00 C ATOM 568 CD ARG A 245 9.080 4.148 -0.540 1.00 0.00 C ATOM 569 NE ARG A 245 10.430 4.631 -0.263 1.00 0.00 N ATOM 570 CZ ARG A 245 10.822 5.074 0.926 1.00 0.00 C ATOM 571 NH1 ARG A 245 9.972 5.095 1.943 1.00 0.00 N ATOM 572 NH2 ARG A 245 12.068 5.498 1.099 1.00 0.00 N ATOM 0 H ARG A 245 5.111 2.437 1.628 1.00 0.00 H new ATOM 0 HA ARG A 245 7.105 0.582 0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 245 6.749 2.638 -0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 245 6.949 3.605 0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 245 9.345 2.812 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 245 9.112 2.004 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 245 8.961 3.999 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 245 8.355 4.906 -0.242 1.00 0.00 H new ATOM 0 HE ARG A 245 11.109 4.628 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 245 9.014 4.770 1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 245 10.276 5.436 2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 245 12.725 5.484 0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 245 12.369 5.838 2.012 1.00 0.00 H new ATOM 586 N LYS A 246 7.383 1.878 3.703 1.00 0.00 N ATOM 587 CA LYS A 246 8.165 1.880 4.934 1.00 0.00 C ATOM 588 C LYS A 246 8.157 0.501 5.585 1.00 0.00 C ATOM 589 O LYS A 246 8.648 0.327 6.701 1.00 0.00 O ATOM 590 CB LYS A 246 7.613 2.920 5.911 1.00 0.00 C ATOM 591 CG LYS A 246 8.117 4.329 5.649 1.00 0.00 C ATOM 592 CD LYS A 246 8.066 5.183 6.905 1.00 0.00 C ATOM 593 CE LYS A 246 6.671 5.741 7.142 1.00 0.00 C ATOM 594 NZ LYS A 246 6.555 6.394 8.476 1.00 0.00 N ATOM 0 H LYS A 246 6.436 2.244 3.805 1.00 0.00 H new ATOM 0 HA LYS A 246 9.194 2.138 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 246 6.524 2.916 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 246 7.881 2.630 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 246 9.141 4.287 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 246 7.514 4.793 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 246 8.372 4.587 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 246 8.778 6.004 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 246 6.431 6.463 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 246 5.940 4.936 7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 5.590 6.762 8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 6.759 5.699 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 7.235 7.178 8.539 1.00 0.00 H new ATOM 608 N VAL A 247 7.598 -0.478 4.881 1.00 0.00 N ATOM 609 CA VAL A 247 7.529 -1.843 5.390 1.00 0.00 C ATOM 610 C VAL A 247 8.737 -2.658 4.943 1.00 0.00 C ATOM 611 O VAL A 247 9.190 -2.568 3.802 1.00 0.00 O ATOM 612 CB VAL A 247 6.244 -2.552 4.923 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.232 -3.999 5.391 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.014 -1.811 5.426 1.00 0.00 C ATOM 0 H VAL A 247 7.186 -0.351 3.956 1.00 0.00 H new ATOM 0 HA VAL A 247 7.523 -1.775 6.478 1.00 0.00 H new ATOM 0 HB VAL A 247 6.223 -2.547 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.317 -4.484 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.094 -4.522 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.277 -4.030 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.115 -2.326 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 247 5.027 -1.783 6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.018 -0.793 5.037 1.00 0.00 H new ATOM 624 N PRO A 248 9.273 -3.475 5.862 1.00 0.00 N ATOM 625 CA PRO A 248 10.435 -4.324 5.585 1.00 0.00 C ATOM 626 C PRO A 248 10.108 -5.461 4.623 1.00 0.00 C ATOM 627 O PRO A 248 8.961 -5.895 4.528 1.00 0.00 O ATOM 628 CB PRO A 248 10.806 -4.879 6.963 1.00 0.00 C ATOM 629 CG PRO A 248 9.536 -4.836 7.742 1.00 0.00 C ATOM 630 CD PRO A 248 8.784 -3.634 7.242 1.00 0.00 C ATOM 0 HA PRO A 248 11.239 -3.768 5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 248 11.192 -5.896 6.890 1.00 0.00 H new ATOM 0 HB3 PRO A 248 11.582 -4.277 7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 248 8.957 -5.748 7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 248 9.736 -4.755 8.810 1.00 0.00 H new ATOM 0 HD2 PRO A 248 7.706 -3.794 7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 248 8.991 -2.751 7.846 1.00 0.00 H new ATOM 638 N GLY A 249 11.124 -5.939 3.911 1.00 0.00 N ATOM 639 CA GLY A 249 10.922 -7.022 2.966 1.00 0.00 C ATOM 640 C GLY A 249 10.372 -6.538 1.639 1.00 0.00 C ATOM 641 O GLY A 249 10.340 -7.286 0.662 1.00 0.00 O ATOM 0 H GLY A 249 12.083 -5.596 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 249 11.869 -7.535 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.236 -7.752 3.396 1.00 0.00 H new ATOM 645 N VAL A 250 9.934 -5.284 1.604 1.00 0.00 N ATOM 646 CA VAL A 250 9.381 -4.701 0.387 1.00 0.00 C ATOM 647 C VAL A 250 10.470 -4.038 -0.449 1.00 0.00 C ATOM 648 O VAL A 250 11.013 -3.000 -0.071 1.00 0.00 O ATOM 649 CB VAL A 250 8.291 -3.661 0.708 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.797 -2.994 -0.567 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.140 -4.311 1.460 1.00 0.00 C ATOM 0 H VAL A 250 9.951 -4.652 2.404 1.00 0.00 H new ATOM 0 HA VAL A 250 8.937 -5.518 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 250 8.724 -2.892 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 250 7.027 -2.263 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.629 -2.493 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.380 -3.748 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.379 -3.562 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.706 -5.101 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.509 -4.736 2.393 1.00 0.00 H new ATOM 661 N THR A 251 10.785 -4.645 -1.589 1.00 0.00 N ATOM 662 CA THR A 251 11.810 -4.115 -2.479 1.00 0.00 C ATOM 663 C THR A 251 11.365 -2.799 -3.108 1.00 0.00 C ATOM 664 O THR A 251 12.090 -1.806 -3.068 1.00 0.00 O ATOM 665 CB THR A 251 12.153 -5.115 -3.599 1.00 0.00 C ATOM 666 OG1 THR A 251 10.974 -5.443 -4.342 1.00 0.00 O ATOM 667 CG2 THR A 251 12.765 -6.384 -3.024 1.00 0.00 C ATOM 0 H THR A 251 10.345 -5.504 -1.918 1.00 0.00 H new ATOM 0 HA THR A 251 12.698 -3.943 -1.871 1.00 0.00 H new ATOM 0 HB THR A 251 12.881 -4.647 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 251 11.079 -5.145 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 251 12.999 -7.075 -3.834 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.679 -6.135 -2.484 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.056 -6.852 -2.341 1.00 0.00 H new ATOM 675 N ALA A 252 10.169 -2.800 -3.686 1.00 0.00 N ATOM 676 CA ALA A 252 9.627 -1.604 -4.320 1.00 0.00 C ATOM 677 C ALA A 252 8.104 -1.660 -4.386 1.00 0.00 C ATOM 678 O ALA A 252 7.499 -2.691 -4.091 1.00 0.00 O ATOM 679 CB ALA A 252 10.211 -1.436 -5.715 1.00 0.00 C ATOM 0 H ALA A 252 9.557 -3.615 -3.729 1.00 0.00 H new ATOM 0 HA ALA A 252 9.907 -0.743 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.798 -0.539 -6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.295 -1.343 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.959 -2.306 -6.322 1.00 0.00 H new ATOM 685 N ILE A 253 7.492 -0.547 -4.774 1.00 0.00 N ATOM 686 CA ILE A 253 6.040 -0.470 -4.878 1.00 0.00 C ATOM 687 C ILE A 253 5.619 0.398 -6.058 1.00 0.00 C ATOM 688 O ILE A 253 5.804 1.615 -6.043 1.00 0.00 O ATOM 689 CB ILE A 253 5.412 0.095 -3.590 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.698 -0.834 -2.408 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.914 0.286 -3.771 1.00 0.00 C ATOM 692 CD1 ILE A 253 5.186 -0.305 -1.086 1.00 0.00 C ATOM 0 H ILE A 253 7.979 0.314 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 253 5.681 -1.487 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 253 5.859 1.067 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.244 -1.806 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.774 -0.994 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.485 0.686 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.732 0.982 -4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.450 -0.673 -4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.424 -1.015 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.659 0.653 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 253 4.106 -0.172 -1.141 1.00 0.00 H new ATOM 704 N GLU A 254 5.050 -0.236 -7.079 1.00 0.00 N ATOM 705 CA GLU A 254 4.601 0.480 -8.268 1.00 0.00 C ATOM 706 C GLU A 254 3.078 0.478 -8.361 1.00 0.00 C ATOM 707 O GLU A 254 2.416 -0.437 -7.869 1.00 0.00 O ATOM 708 CB GLU A 254 5.202 -0.150 -9.526 1.00 0.00 C ATOM 709 CG GLU A 254 6.688 0.119 -9.692 1.00 0.00 C ATOM 710 CD GLU A 254 7.005 1.598 -9.796 1.00 0.00 C ATOM 711 OE1 GLU A 254 6.772 2.181 -10.875 1.00 0.00 O ATOM 712 OE2 GLU A 254 7.486 2.173 -8.796 1.00 0.00 O ATOM 0 H GLU A 254 4.889 -1.243 -7.107 1.00 0.00 H new ATOM 0 HA GLU A 254 4.941 1.513 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 254 5.038 -1.227 -9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.673 0.229 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 254 7.227 -0.306 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 254 7.048 -0.390 -10.586 1.00 0.00 H new ATOM 719 N LEU A 255 2.529 1.507 -8.996 1.00 0.00 N ATOM 720 CA LEU A 255 1.084 1.626 -9.155 1.00 0.00 C ATOM 721 C LEU A 255 0.718 1.933 -10.604 1.00 0.00 C ATOM 722 O LEU A 255 1.335 2.786 -11.242 1.00 0.00 O ATOM 723 CB LEU A 255 0.538 2.720 -8.236 1.00 0.00 C ATOM 724 CG LEU A 255 -0.848 3.262 -8.588 1.00 0.00 C ATOM 725 CD1 LEU A 255 -1.864 2.133 -8.649 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.280 4.317 -7.579 1.00 0.00 C ATOM 0 H LEU A 255 3.063 2.272 -9.409 1.00 0.00 H new ATOM 0 HA LEU A 255 0.634 0.672 -8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.506 2.330 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 255 1.242 3.552 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 255 -0.795 3.728 -9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -2.844 2.539 -8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -1.563 1.413 -9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -1.915 1.637 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.268 4.692 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.315 3.875 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.566 5.141 -7.585 1.00 0.00 H new ATOM 738 N ASP A 256 -0.289 1.234 -11.115 1.00 0.00 N ATOM 739 CA ASP A 256 -0.739 1.435 -12.488 1.00 0.00 C ATOM 740 C ASP A 256 -2.056 2.205 -12.521 1.00 0.00 C ATOM 741 O ASP A 256 -3.099 1.685 -12.126 1.00 0.00 O ATOM 742 CB ASP A 256 -0.903 0.089 -13.195 1.00 0.00 C ATOM 743 CG ASP A 256 0.373 -0.368 -13.873 1.00 0.00 C ATOM 744 OD1 ASP A 256 0.607 0.036 -15.031 1.00 0.00 O ATOM 745 OD2 ASP A 256 1.138 -1.131 -13.246 1.00 0.00 O ATOM 0 H ASP A 256 -0.809 0.524 -10.600 1.00 0.00 H new ATOM 0 HA ASP A 256 0.017 2.021 -13.010 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -1.215 -0.663 -12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -1.698 0.166 -13.937 1.00 0.00 H new ATOM 750 N GLU A 257 -1.998 3.446 -12.993 1.00 0.00 N ATOM 751 CA GLU A 257 -3.186 4.288 -13.075 1.00 0.00 C ATOM 752 C GLU A 257 -4.032 3.917 -14.290 1.00 0.00 C ATOM 753 O GLU A 257 -5.262 3.942 -14.234 1.00 0.00 O ATOM 754 CB GLU A 257 -2.789 5.764 -13.147 1.00 0.00 C ATOM 755 CG GLU A 257 -2.339 6.339 -11.815 1.00 0.00 C ATOM 756 CD GLU A 257 -1.669 7.691 -11.959 1.00 0.00 C ATOM 757 OE1 GLU A 257 -2.390 8.696 -12.133 1.00 0.00 O ATOM 758 OE2 GLU A 257 -0.422 7.745 -11.898 1.00 0.00 O ATOM 0 H GLU A 257 -1.142 3.891 -13.324 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.780 4.123 -12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -1.985 5.880 -13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.637 6.342 -13.515 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -3.201 6.434 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.647 5.644 -11.339 1.00 0.00 H new ATOM 765 N ASP A 258 -3.364 3.575 -15.386 1.00 0.00 N ATOM 766 CA ASP A 258 -4.054 3.199 -16.615 1.00 0.00 C ATOM 767 C ASP A 258 -5.233 2.279 -16.317 1.00 0.00 C ATOM 768 O ASP A 258 -6.305 2.413 -16.909 1.00 0.00 O ATOM 769 CB ASP A 258 -3.085 2.511 -17.579 1.00 0.00 C ATOM 770 CG ASP A 258 -2.109 3.484 -18.211 1.00 0.00 C ATOM 771 OD1 ASP A 258 -2.503 4.642 -18.462 1.00 0.00 O ATOM 772 OD2 ASP A 258 -0.950 3.087 -18.453 1.00 0.00 O ATOM 0 H ASP A 258 -2.346 3.550 -15.449 1.00 0.00 H new ATOM 0 HA ASP A 258 -4.435 4.108 -17.081 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -2.530 1.741 -17.044 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -3.652 2.009 -18.363 1.00 0.00 H new ATOM 777 N THR A 259 -5.029 1.343 -15.395 1.00 0.00 N ATOM 778 CA THR A 259 -6.074 0.400 -15.020 1.00 0.00 C ATOM 779 C THR A 259 -6.366 0.468 -13.525 1.00 0.00 C ATOM 780 O THR A 259 -7.447 0.090 -13.076 1.00 0.00 O ATOM 781 CB THR A 259 -5.686 -1.045 -15.390 1.00 0.00 C ATOM 782 OG1 THR A 259 -4.462 -1.405 -14.740 1.00 0.00 O ATOM 783 CG2 THR A 259 -5.531 -1.194 -16.895 1.00 0.00 C ATOM 0 H THR A 259 -4.149 1.218 -14.894 1.00 0.00 H new ATOM 0 HA THR A 259 -6.968 0.682 -15.575 1.00 0.00 H new ATOM 0 HB THR A 259 -6.483 -1.710 -15.056 1.00 0.00 H new ATOM 0 HG1 THR A 259 -4.223 -2.325 -14.979 1.00 0.00 H new ATOM 0 HG21 THR A 259 -5.257 -2.222 -17.133 1.00 0.00 H new ATOM 0 HG22 THR A 259 -6.473 -0.947 -17.384 1.00 0.00 H new ATOM 0 HG23 THR A 259 -4.751 -0.520 -17.249 1.00 0.00 H new ATOM 791 N GLY A 260 -5.394 0.955 -12.759 1.00 0.00 N ATOM 792 CA GLY A 260 -5.567 1.065 -11.322 1.00 0.00 C ATOM 793 C GLY A 260 -5.185 -0.208 -10.593 1.00 0.00 C ATOM 794 O GLY A 260 -5.908 -0.668 -9.709 1.00 0.00 O ATOM 0 H GLY A 260 -4.490 1.275 -13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -4.961 1.890 -10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.606 1.308 -11.102 1.00 0.00 H new ATOM 798 N THR A 261 -4.044 -0.781 -10.964 1.00 0.00 N ATOM 799 CA THR A 261 -3.568 -2.010 -10.342 1.00 0.00 C ATOM 800 C THR A 261 -2.299 -1.761 -9.534 1.00 0.00 C ATOM 801 O THR A 261 -1.277 -1.341 -10.078 1.00 0.00 O ATOM 802 CB THR A 261 -3.288 -3.100 -11.393 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.477 -3.374 -12.143 1.00 0.00 O ATOM 804 CG2 THR A 261 -2.796 -4.378 -10.730 1.00 0.00 C ATOM 0 H THR A 261 -3.432 -0.413 -11.693 1.00 0.00 H new ATOM 0 HA THR A 261 -4.359 -2.354 -9.675 1.00 0.00 H new ATOM 0 HB THR A 261 -2.511 -2.735 -12.064 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.506 -2.796 -12.934 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.605 -5.133 -11.492 1.00 0.00 H new ATOM 0 HG22 THR A 261 -1.875 -4.173 -10.183 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.555 -4.744 -10.038 1.00 0.00 H new ATOM 812 N PHE A 262 -2.370 -2.023 -8.233 1.00 0.00 N ATOM 813 CA PHE A 262 -1.226 -1.827 -7.350 1.00 0.00 C ATOM 814 C PHE A 262 -0.272 -3.016 -7.424 1.00 0.00 C ATOM 815 O PHE A 262 -0.656 -4.151 -7.141 1.00 0.00 O ATOM 816 CB PHE A 262 -1.697 -1.625 -5.909 1.00 0.00 C ATOM 817 CG PHE A 262 -1.950 -0.187 -5.557 1.00 0.00 C ATOM 818 CD1 PHE A 262 -0.895 0.673 -5.297 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.243 0.305 -5.486 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.125 1.996 -4.973 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.480 1.628 -5.162 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.419 2.475 -4.906 1.00 0.00 C ATOM 0 H PHE A 262 -3.208 -2.372 -7.767 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.693 -0.935 -7.679 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.612 -2.196 -5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -0.947 -2.030 -5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 262 0.119 0.305 -5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.076 -0.353 -5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.294 2.655 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.493 1.999 -5.109 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.601 3.509 -4.654 1.00 0.00 H new ATOM 832 N ARG A 263 0.971 -2.746 -7.806 1.00 0.00 N ATOM 833 CA ARG A 263 1.980 -3.793 -7.919 1.00 0.00 C ATOM 834 C ARG A 263 3.040 -3.646 -6.832 1.00 0.00 C ATOM 835 O ARG A 263 3.821 -2.694 -6.837 1.00 0.00 O ATOM 836 CB ARG A 263 2.640 -3.748 -9.299 1.00 0.00 C ATOM 837 CG ARG A 263 1.805 -4.391 -10.394 1.00 0.00 C ATOM 838 CD ARG A 263 2.228 -3.908 -11.773 1.00 0.00 C ATOM 839 NE ARG A 263 1.403 -4.484 -12.831 1.00 0.00 N ATOM 840 CZ ARG A 263 1.786 -4.561 -14.101 1.00 0.00 C ATOM 841 NH1 ARG A 263 2.974 -4.101 -14.468 1.00 0.00 N ATOM 842 NH2 ARG A 263 0.979 -5.099 -15.007 1.00 0.00 N ATOM 0 H ARG A 263 1.304 -1.811 -8.043 1.00 0.00 H new ATOM 0 HA ARG A 263 1.484 -4.755 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.835 -2.709 -9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.606 -4.251 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.905 -5.475 -10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.752 -4.160 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.161 -2.821 -11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.272 -4.170 -11.944 1.00 0.00 H new ATOM 0 HE ARG A 263 0.483 -4.847 -12.582 1.00 0.00 H new ATOM 0 HH11 ARG A 263 3.597 -3.687 -13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 263 3.265 -4.162 -15.444 1.00 0.00 H new ATOM 0 HH21 ARG A 263 0.064 -5.454 -14.729 1.00 0.00 H new ATOM 0 HH22 ARG A 263 1.274 -5.158 -15.982 1.00 0.00 H new ATOM 856 N ILE A 264 3.060 -4.594 -5.901 1.00 0.00 N ATOM 857 CA ILE A 264 4.024 -4.570 -4.808 1.00 0.00 C ATOM 858 C ILE A 264 5.124 -5.605 -5.022 1.00 0.00 C ATOM 859 O ILE A 264 4.877 -6.687 -5.555 1.00 0.00 O ATOM 860 CB ILE A 264 3.344 -4.834 -3.451 1.00 0.00 C ATOM 861 CG1 ILE A 264 2.013 -4.083 -3.369 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.262 -4.422 -2.310 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.264 -4.321 -2.077 1.00 0.00 C ATOM 0 H ILE A 264 2.420 -5.388 -5.882 1.00 0.00 H new ATOM 0 HA ILE A 264 4.463 -3.573 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 264 3.144 -5.902 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.200 -3.015 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.383 -4.384 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.768 -4.614 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.187 -4.997 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.490 -3.359 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.331 -3.758 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 264 1.045 -5.384 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.875 -3.993 -1.236 1.00 0.00 H new ATOM 875 N TYR A 265 6.337 -5.266 -4.602 1.00 0.00 N ATOM 876 CA TYR A 265 7.476 -6.165 -4.748 1.00 0.00 C ATOM 877 C TYR A 265 8.164 -6.395 -3.406 1.00 0.00 C ATOM 878 O TYR A 265 8.639 -5.455 -2.770 1.00 0.00 O ATOM 879 CB TYR A 265 8.476 -5.596 -5.755 1.00 0.00 C ATOM 880 CG TYR A 265 7.888 -5.368 -7.129 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.250 -4.174 -7.444 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.968 -6.346 -8.113 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.711 -3.961 -8.698 1.00 0.00 C ATOM 884 CE2 TYR A 265 7.433 -6.141 -9.369 1.00 0.00 C ATOM 885 CZ TYR A 265 6.805 -4.947 -9.657 1.00 0.00 C ATOM 886 OH TYR A 265 6.269 -4.740 -10.908 1.00 0.00 O ATOM 0 H TYR A 265 6.558 -4.375 -4.157 1.00 0.00 H new ATOM 0 HA TYR A 265 7.106 -7.122 -5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.865 -4.652 -5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.322 -6.278 -5.840 1.00 0.00 H new ATOM 0 HD1 TYR A 265 7.174 -3.399 -6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 265 8.457 -7.283 -7.891 1.00 0.00 H new ATOM 0 HE1 TYR A 265 6.219 -3.027 -8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 265 7.506 -6.911 -10.122 1.00 0.00 H new ATOM 0 HH TYR A 265 6.422 -5.532 -11.465 1.00 0.00 H new ATOM 896 N GLY A 266 8.214 -7.654 -2.981 1.00 0.00 N ATOM 897 CA GLY A 266 8.846 -7.987 -1.718 1.00 0.00 C ATOM 898 C GLY A 266 9.547 -9.330 -1.757 1.00 0.00 C ATOM 899 O GLY A 266 9.075 -10.265 -2.402 1.00 0.00 O ATOM 0 H GLY A 266 7.828 -8.449 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.567 -7.211 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 266 8.093 -7.996 -0.930 1.00 0.00 H new ATOM 903 N GLU A 267 10.678 -9.425 -1.065 1.00 0.00 N ATOM 904 CA GLU A 267 11.447 -10.664 -1.026 1.00 0.00 C ATOM 905 C GLU A 267 10.607 -11.808 -0.463 1.00 0.00 C ATOM 906 O GLU A 267 10.800 -12.969 -0.823 1.00 0.00 O ATOM 907 CB GLU A 267 12.710 -10.480 -0.181 1.00 0.00 C ATOM 908 CG GLU A 267 13.710 -9.509 -0.785 1.00 0.00 C ATOM 909 CD GLU A 267 14.980 -9.394 0.035 1.00 0.00 C ATOM 910 OE1 GLU A 267 14.903 -9.552 1.272 1.00 0.00 O ATOM 911 OE2 GLU A 267 16.050 -9.146 -0.558 1.00 0.00 O ATOM 0 H GLU A 267 11.082 -8.660 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 267 11.735 -10.916 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.426 -10.126 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 267 13.192 -11.449 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 267 13.962 -9.834 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.248 -8.526 -0.873 1.00 0.00 H new ATOM 918 N SER A 268 9.675 -11.470 0.422 1.00 0.00 N ATOM 919 CA SER A 268 8.809 -12.467 1.038 1.00 0.00 C ATOM 920 C SER A 268 7.356 -12.003 1.033 1.00 0.00 C ATOM 921 O SER A 268 7.061 -10.846 1.333 1.00 0.00 O ATOM 922 CB SER A 268 9.260 -12.750 2.473 1.00 0.00 C ATOM 923 OG SER A 268 10.508 -13.422 2.492 1.00 0.00 O ATOM 0 H SER A 268 9.501 -10.513 0.728 1.00 0.00 H new ATOM 0 HA SER A 268 8.882 -13.384 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 268 9.340 -11.813 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 268 8.509 -13.356 2.981 1.00 0.00 H new ATOM 0 HG SER A 268 10.775 -13.590 3.420 1.00 0.00 H new ATOM 929 N ALA A 269 6.451 -12.914 0.689 1.00 0.00 N ATOM 930 CA ALA A 269 5.029 -12.599 0.645 1.00 0.00 C ATOM 931 C ALA A 269 4.581 -11.905 1.927 1.00 0.00 C ATOM 932 O ALA A 269 3.699 -11.046 1.903 1.00 0.00 O ATOM 933 CB ALA A 269 4.215 -13.864 0.416 1.00 0.00 C ATOM 0 H ALA A 269 6.678 -13.876 0.437 1.00 0.00 H new ATOM 0 HA ALA A 269 4.859 -11.915 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.155 -13.614 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.508 -14.319 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.399 -14.567 1.229 1.00 0.00 H new ATOM 939 N ASP A 270 5.192 -12.283 3.044 1.00 0.00 N ATOM 940 CA ASP A 270 4.857 -11.696 4.336 1.00 0.00 C ATOM 941 C ASP A 270 5.004 -10.178 4.298 1.00 0.00 C ATOM 942 O ASP A 270 4.207 -9.452 4.891 1.00 0.00 O ATOM 943 CB ASP A 270 5.748 -12.280 5.433 1.00 0.00 C ATOM 944 CG ASP A 270 5.541 -11.599 6.771 1.00 0.00 C ATOM 945 OD1 ASP A 270 4.401 -11.623 7.279 1.00 0.00 O ATOM 946 OD2 ASP A 270 6.519 -11.040 7.311 1.00 0.00 O ATOM 0 H ASP A 270 5.923 -12.994 3.081 1.00 0.00 H new ATOM 0 HA ASP A 270 3.817 -11.937 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 270 5.542 -13.345 5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 270 6.793 -12.184 5.138 1.00 0.00 H new ATOM 951 N ALA A 271 6.030 -9.706 3.597 1.00 0.00 N ATOM 952 CA ALA A 271 6.282 -8.275 3.482 1.00 0.00 C ATOM 953 C ALA A 271 5.229 -7.601 2.607 1.00 0.00 C ATOM 954 O ALA A 271 4.425 -6.804 3.090 1.00 0.00 O ATOM 955 CB ALA A 271 7.674 -8.027 2.920 1.00 0.00 C ATOM 0 H ALA A 271 6.700 -10.294 3.100 1.00 0.00 H new ATOM 0 HA ALA A 271 6.222 -7.840 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 271 7.848 -6.954 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.418 -8.467 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 271 7.754 -8.482 1.933 1.00 0.00 H new ATOM 961 N VAL A 272 5.241 -7.926 1.318 1.00 0.00 N ATOM 962 CA VAL A 272 4.287 -7.353 0.377 1.00 0.00 C ATOM 963 C VAL A 272 2.863 -7.439 0.915 1.00 0.00 C ATOM 964 O VAL A 272 2.021 -6.593 0.615 1.00 0.00 O ATOM 965 CB VAL A 272 4.351 -8.062 -0.989 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.484 -7.496 -1.832 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.513 -9.563 -0.803 1.00 0.00 C ATOM 0 H VAL A 272 5.901 -8.583 0.902 1.00 0.00 H new ATOM 0 HA VAL A 272 4.561 -6.306 0.248 1.00 0.00 H new ATOM 0 HB VAL A 272 3.414 -7.883 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.514 -8.009 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.320 -6.431 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.431 -7.642 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.556 -10.048 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.434 -9.765 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.665 -9.954 -0.241 1.00 0.00 H new ATOM 977 N LYS A 273 2.601 -8.468 1.714 1.00 0.00 N ATOM 978 CA LYS A 273 1.279 -8.666 2.298 1.00 0.00 C ATOM 979 C LYS A 273 0.976 -7.590 3.335 1.00 0.00 C ATOM 980 O LYS A 273 -0.060 -6.927 3.273 1.00 0.00 O ATOM 981 CB LYS A 273 1.186 -10.051 2.941 1.00 0.00 C ATOM 982 CG LYS A 273 0.730 -11.138 1.983 1.00 0.00 C ATOM 983 CD LYS A 273 0.683 -12.497 2.662 1.00 0.00 C ATOM 984 CE LYS A 273 0.299 -13.596 1.684 1.00 0.00 C ATOM 985 NZ LYS A 273 -0.108 -14.845 2.385 1.00 0.00 N ATOM 0 H LYS A 273 3.287 -9.178 1.972 1.00 0.00 H new ATOM 0 HA LYS A 273 0.541 -8.593 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.162 -10.321 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.494 -10.006 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -0.258 -10.890 1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.407 -11.180 1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 273 1.657 -12.721 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -0.035 -12.471 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -0.520 -13.251 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 273 1.142 -13.807 1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -0.362 -15.570 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 0.682 -15.189 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -0.928 -14.650 2.994 1.00 0.00 H new ATOM 999 N LYS A 274 1.885 -7.421 4.289 1.00 0.00 N ATOM 1000 CA LYS A 274 1.717 -6.423 5.339 1.00 0.00 C ATOM 1001 C LYS A 274 1.539 -5.031 4.743 1.00 0.00 C ATOM 1002 O LYS A 274 0.727 -4.240 5.222 1.00 0.00 O ATOM 1003 CB LYS A 274 2.924 -6.436 6.280 1.00 0.00 C ATOM 1004 CG LYS A 274 2.644 -5.808 7.635 1.00 0.00 C ATOM 1005 CD LYS A 274 3.906 -5.712 8.476 1.00 0.00 C ATOM 1006 CE LYS A 274 3.701 -4.817 9.689 1.00 0.00 C ATOM 1007 NZ LYS A 274 4.949 -4.671 10.488 1.00 0.00 N ATOM 0 H LYS A 274 2.747 -7.963 4.357 1.00 0.00 H new ATOM 0 HA LYS A 274 0.820 -6.674 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.249 -7.466 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 274 3.750 -5.905 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.222 -4.813 7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 274 1.897 -6.400 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.203 -6.708 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.721 -5.321 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 274 3.362 -3.834 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 274 2.914 -5.232 10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 4.768 -4.054 11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 5.259 -5.606 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 5.693 -4.251 9.896 1.00 0.00 H new ATOM 1021 N ALA A 275 2.301 -4.738 3.694 1.00 0.00 N ATOM 1022 CA ALA A 275 2.224 -3.443 3.031 1.00 0.00 C ATOM 1023 C ALA A 275 0.953 -3.328 2.196 1.00 0.00 C ATOM 1024 O ALA A 275 0.341 -2.262 2.123 1.00 0.00 O ATOM 1025 CB ALA A 275 3.451 -3.222 2.160 1.00 0.00 C ATOM 0 H ALA A 275 2.979 -5.381 3.285 1.00 0.00 H new ATOM 0 HA ALA A 275 2.194 -2.671 3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.380 -2.251 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.347 -3.251 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.507 -4.006 1.404 1.00 0.00 H new ATOM 1031 N ARG A 276 0.561 -4.432 1.568 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.636 -4.454 0.737 1.00 0.00 C ATOM 1033 C ARG A 276 -1.840 -3.915 1.503 1.00 0.00 C ATOM 1034 O ARG A 276 -2.644 -3.156 0.963 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.921 -5.878 0.254 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.282 -6.036 -0.405 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.690 -7.498 -0.495 1.00 0.00 C ATOM 1038 NE ARG A 276 -3.699 -7.722 -1.527 1.00 0.00 N ATOM 1039 CZ ARG A 276 -4.226 -8.912 -1.794 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -3.842 -9.979 -1.108 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -5.140 -9.035 -2.748 1.00 0.00 N ATOM 0 H ARG A 276 1.055 -5.323 1.619 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.460 -3.813 -0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 276 -0.147 -6.174 -0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.856 -6.560 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -3.029 -5.483 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.256 -5.602 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -1.812 -8.107 -0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -3.079 -7.826 0.469 1.00 0.00 H new ATOM 0 HE ARG A 276 -4.016 -6.921 -2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -3.140 -9.888 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -4.248 -10.892 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -5.438 -8.216 -3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -5.544 -9.949 -2.952 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.958 -4.313 2.767 1.00 0.00 N ATOM 1056 CA GLY A 277 -3.067 -3.860 3.587 1.00 0.00 C ATOM 1057 C GLY A 277 -3.227 -2.353 3.564 1.00 0.00 C ATOM 1058 O GLY A 277 -4.338 -1.838 3.692 1.00 0.00 O ATOM 0 H GLY A 277 -1.306 -4.941 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.988 -4.325 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.914 -4.190 4.614 1.00 0.00 H new ATOM 1062 N PHE A 278 -2.115 -1.644 3.404 1.00 0.00 N ATOM 1063 CA PHE A 278 -2.137 -0.186 3.368 1.00 0.00 C ATOM 1064 C PHE A 278 -2.704 0.317 2.043 1.00 0.00 C ATOM 1065 O PHE A 278 -3.446 1.299 2.005 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.728 0.371 3.577 1.00 0.00 C ATOM 1067 CG PHE A 278 -0.249 0.273 4.997 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -0.944 0.896 6.022 1.00 0.00 C ATOM 1069 CD2 PHE A 278 0.896 -0.444 5.308 1.00 0.00 C ATOM 1070 CE1 PHE A 278 -0.505 0.807 7.329 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.339 -0.537 6.614 1.00 0.00 C ATOM 1072 CZ PHE A 278 0.637 0.089 7.626 1.00 0.00 C ATOM 0 H PHE A 278 -1.187 -2.055 3.297 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.782 0.163 4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 278 -0.034 -0.166 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.709 1.416 3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.839 1.457 5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.448 -0.936 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -1.055 1.299 8.118 1.00 0.00 H new ATOM 0 HE2 PHE A 278 2.233 -1.098 6.843 1.00 0.00 H new ATOM 0 HZ PHE A 278 0.981 0.017 8.647 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.348 -0.363 0.959 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.820 0.014 -0.369 1.00 0.00 C ATOM 1084 C LEU A 279 -4.239 -0.490 -0.607 1.00 0.00 C ATOM 1085 O LEU A 279 -4.971 0.053 -1.433 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.882 -0.542 -1.442 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.458 0.015 -1.444 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.407 -0.735 -2.446 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.469 1.504 -1.754 1.00 0.00 C ATOM 0 H LEU A 279 -1.735 -1.178 0.973 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.827 1.102 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.827 -1.624 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.327 -0.351 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 279 -0.031 -0.125 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.417 -0.325 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.441 -1.791 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -0.016 -0.627 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.553 1.884 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.915 1.668 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -1.053 2.029 -0.998 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.622 -1.532 0.126 1.00 0.00 N ATOM 1102 CA GLU A 280 -5.955 -2.108 -0.005 1.00 0.00 C ATOM 1103 C GLU A 280 -7.027 -1.025 0.076 1.00 0.00 C ATOM 1104 O GLU A 280 -6.853 -0.013 0.756 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.191 -3.156 1.086 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.554 -4.502 0.784 1.00 0.00 C ATOM 1107 CD GLU A 280 -6.464 -5.411 -0.019 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -6.837 -5.029 -1.148 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -6.804 -6.503 0.482 1.00 0.00 O ATOM 0 H GLU A 280 -4.029 -1.993 0.815 1.00 0.00 H new ATOM 0 HA GLU A 280 -6.021 -2.588 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -5.797 -2.780 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.264 -3.293 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -4.626 -4.345 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -5.290 -4.993 1.721 1.00 0.00 H new