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 USER MOD Set 1.2: A 261 THR OG1 : rot 3:sc= -2.98! USER MOD Single : A 220 HIS : no HD1:sc= -0.315 X(o=-0.32,f=0.013) USER MOD Single : A 230 MET CE :methyl 175:sc= -4.88! (180deg=-5.06!) 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= -2.88 K(o=-2.9,f=-8.7!) USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 243 GLN : amide:sc= -0.496 K(o=-0.5,f=-1.7) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 THR OG1 : rot 156:sc= -2.18 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 12.241 -9.433 -6.529 1.00 0.00 N ATOM 149 CA ALA A 217 11.357 -9.910 -5.472 1.00 0.00 C ATOM 150 C ALA A 217 10.737 -11.253 -5.840 1.00 0.00 C ATOM 151 O ALA A 217 10.147 -11.403 -6.909 1.00 0.00 O ATOM 152 CB ALA A 217 10.269 -8.884 -5.190 1.00 0.00 C ATOM 0 HA ALA A 217 11.952 -10.049 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.617 -9.254 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.726 -7.946 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.684 -8.716 -6.094 1.00 0.00 H new ATOM 158 N ALA A 218 10.875 -12.228 -4.947 1.00 0.00 N ATOM 159 CA ALA A 218 10.327 -13.559 -5.177 1.00 0.00 C ATOM 160 C ALA A 218 8.811 -13.563 -5.018 1.00 0.00 C ATOM 161 O ALA A 218 8.111 -14.348 -5.658 1.00 0.00 O ATOM 162 CB ALA A 218 10.962 -14.563 -4.227 1.00 0.00 C ATOM 0 H ALA A 218 11.362 -12.121 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 218 10.559 -13.848 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.543 -15.552 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.039 -14.589 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.759 -14.268 -3.197 1.00 0.00 H new ATOM 168 N PHE A 219 8.308 -12.682 -4.159 1.00 0.00 N ATOM 169 CA PHE A 219 6.874 -12.586 -3.914 1.00 0.00 C ATOM 170 C PHE A 219 6.346 -11.208 -4.306 1.00 0.00 C ATOM 171 O PHE A 219 6.979 -10.188 -4.032 1.00 0.00 O ATOM 172 CB PHE A 219 6.567 -12.862 -2.441 1.00 0.00 C ATOM 173 CG PHE A 219 6.703 -14.309 -2.061 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.944 -14.846 -1.761 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.589 -15.131 -2.005 1.00 0.00 C ATOM 176 CE1 PHE A 219 8.072 -16.177 -1.412 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.711 -16.463 -1.656 1.00 0.00 C ATOM 178 CZ PHE A 219 6.954 -16.986 -1.358 1.00 0.00 C ATOM 0 H PHE A 219 8.873 -12.024 -3.621 1.00 0.00 H new ATOM 0 HA PHE A 219 6.375 -13.335 -4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 219 7.238 -12.267 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.552 -12.531 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.821 -14.218 -1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.615 -14.727 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 219 9.045 -16.584 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 219 4.835 -17.094 -1.616 1.00 0.00 H new ATOM 0 HZ PHE A 219 7.052 -18.026 -1.083 1.00 0.00 H new ATOM 188 N HIS A 220 5.184 -11.187 -4.950 1.00 0.00 N ATOM 189 CA HIS A 220 4.570 -9.936 -5.380 1.00 0.00 C ATOM 190 C HIS A 220 3.051 -10.005 -5.256 1.00 0.00 C ATOM 191 O HIS A 220 2.455 -11.071 -5.406 1.00 0.00 O ATOM 192 CB HIS A 220 4.962 -9.621 -6.823 1.00 0.00 C ATOM 193 CG HIS A 220 4.858 -10.798 -7.743 1.00 0.00 C ATOM 194 ND1 HIS A 220 5.918 -11.266 -8.491 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.810 -11.606 -8.032 1.00 0.00 C ATOM 196 CE1 HIS A 220 5.527 -12.308 -9.202 1.00 0.00 C ATOM 197 NE2 HIS A 220 4.252 -12.536 -8.941 1.00 0.00 N ATOM 0 H HIS A 220 4.648 -12.022 -5.186 1.00 0.00 H new ATOM 0 HA HIS A 220 4.934 -9.140 -4.731 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.324 -8.820 -7.197 1.00 0.00 H new ATOM 0 HB3 HIS A 220 5.986 -9.247 -6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.813 -11.533 -7.624 1.00 0.00 H new ATOM 0 HE1 HIS A 220 6.144 -12.877 -9.881 1.00 0.00 H new ATOM 0 HE2 HIS A 220 3.688 -13.282 -9.348 1.00 0.00 H new ATOM 205 N GLU A 221 2.432 -8.861 -4.982 1.00 0.00 N ATOM 206 CA GLU A 221 0.982 -8.794 -4.837 1.00 0.00 C ATOM 207 C GLU A 221 0.371 -7.884 -5.899 1.00 0.00 C ATOM 208 O GLU A 221 0.885 -6.800 -6.173 1.00 0.00 O ATOM 209 CB GLU A 221 0.610 -8.288 -3.441 1.00 0.00 C ATOM 210 CG GLU A 221 0.729 -9.348 -2.358 1.00 0.00 C ATOM 211 CD GLU A 221 -0.289 -10.461 -2.518 1.00 0.00 C ATOM 212 OE1 GLU A 221 -1.493 -10.153 -2.631 1.00 0.00 O ATOM 213 OE2 GLU A 221 0.121 -11.641 -2.529 1.00 0.00 O ATOM 0 H GLU A 221 2.911 -7.969 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 221 0.582 -9.799 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.253 -7.446 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 221 -0.413 -7.913 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 221 1.733 -9.773 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 221 0.601 -8.881 -1.382 1.00 0.00 H new ATOM 220 N GLU A 222 -0.729 -8.335 -6.493 1.00 0.00 N ATOM 221 CA GLU A 222 -1.410 -7.562 -7.526 1.00 0.00 C ATOM 222 C GLU A 222 -2.913 -7.515 -7.268 1.00 0.00 C ATOM 223 O GLU A 222 -3.600 -8.534 -7.344 1.00 0.00 O ATOM 224 CB GLU A 222 -1.137 -8.163 -8.906 1.00 0.00 C ATOM 225 CG GLU A 222 -1.917 -7.495 -10.026 1.00 0.00 C ATOM 226 CD GLU A 222 -3.267 -8.144 -10.263 1.00 0.00 C ATOM 227 OE1 GLU A 222 -3.378 -9.373 -10.072 1.00 0.00 O ATOM 228 OE2 GLU A 222 -4.214 -7.421 -10.640 1.00 0.00 O ATOM 0 H GLU A 222 -1.168 -9.230 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 222 -1.022 -6.544 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 222 -0.071 -8.087 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -1.384 -9.225 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -2.061 -6.442 -9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -1.332 -7.535 -10.945 1.00 0.00 H new ATOM 235 N PHE A 223 -3.418 -6.324 -6.963 1.00 0.00 N ATOM 236 CA PHE A 223 -4.839 -6.143 -6.693 1.00 0.00 C ATOM 237 C PHE A 223 -5.363 -4.875 -7.361 1.00 0.00 C ATOM 238 O PHE A 223 -4.680 -3.851 -7.397 1.00 0.00 O ATOM 239 CB PHE A 223 -5.089 -6.078 -5.184 1.00 0.00 C ATOM 240 CG PHE A 223 -4.158 -5.146 -4.462 1.00 0.00 C ATOM 241 CD1 PHE A 223 -2.898 -5.570 -4.070 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.542 -3.846 -4.175 1.00 0.00 C ATOM 243 CE1 PHE A 223 -2.039 -4.716 -3.406 1.00 0.00 C ATOM 244 CE2 PHE A 223 -3.687 -2.987 -3.511 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.434 -3.423 -3.125 1.00 0.00 C ATOM 0 H PHE A 223 -2.864 -5.470 -6.897 1.00 0.00 H new ATOM 0 HA PHE A 223 -5.373 -6.998 -7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -6.117 -5.761 -5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.987 -7.078 -4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.584 -6.580 -4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.521 -3.500 -4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -1.060 -5.059 -3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -3.998 -1.976 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 223 -1.765 -2.754 -2.605 1.00 0.00 H new ATOM 255 N VAL A 224 -6.580 -4.951 -7.890 1.00 0.00 N ATOM 256 CA VAL A 224 -7.196 -3.811 -8.558 1.00 0.00 C ATOM 257 C VAL A 224 -8.044 -2.998 -7.586 1.00 0.00 C ATOM 258 O VAL A 224 -8.996 -3.511 -6.996 1.00 0.00 O ATOM 259 CB VAL A 224 -8.077 -4.260 -9.738 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.676 -3.055 -10.447 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.273 -5.114 -10.708 1.00 0.00 C ATOM 0 H VAL A 224 -7.159 -5.791 -7.869 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.384 -3.190 -8.937 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.895 -4.865 -9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.295 -3.393 -11.278 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.288 -2.487 -9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.875 -2.420 -10.826 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.911 -5.423 -11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.434 -4.535 -11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.898 -5.997 -10.191 1.00 0.00 H new ATOM 271 N VAL A 225 -7.692 -1.726 -7.422 1.00 0.00 N ATOM 272 CA VAL A 225 -8.422 -0.841 -6.523 1.00 0.00 C ATOM 273 C VAL A 225 -9.329 0.107 -7.300 1.00 0.00 C ATOM 274 O VAL A 225 -8.925 0.675 -8.315 1.00 0.00 O ATOM 275 CB VAL A 225 -7.461 -0.013 -5.649 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.222 1.067 -4.894 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.705 -0.916 -4.686 1.00 0.00 C ATOM 0 H VAL A 225 -6.906 -1.286 -7.900 1.00 0.00 H new ATOM 0 HA VAL A 225 -9.031 -1.476 -5.880 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.735 0.475 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.527 1.642 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -8.713 1.731 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -8.972 0.603 -4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -6.031 -0.314 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.414 -1.433 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.128 -1.648 -5.251 1.00 0.00 H new ATOM 287 N ARG A 226 -10.556 0.272 -6.817 1.00 0.00 N ATOM 288 CA ARG A 226 -11.521 1.151 -7.467 1.00 0.00 C ATOM 289 C ARG A 226 -10.936 2.546 -7.668 1.00 0.00 C ATOM 290 O ARG A 226 -10.383 3.137 -6.742 1.00 0.00 O ATOM 291 CB ARG A 226 -12.803 1.238 -6.637 1.00 0.00 C ATOM 292 CG ARG A 226 -13.829 0.173 -6.988 1.00 0.00 C ATOM 293 CD ARG A 226 -14.373 0.366 -8.394 1.00 0.00 C ATOM 294 NE ARG A 226 -13.563 -0.325 -9.394 1.00 0.00 N ATOM 295 CZ ARG A 226 -13.834 -0.315 -10.694 1.00 0.00 C ATOM 296 NH1 ARG A 226 -14.888 0.348 -11.150 1.00 0.00 N ATOM 297 NH2 ARG A 226 -13.049 -0.968 -11.542 1.00 0.00 N ATOM 0 H ARG A 226 -10.905 -0.191 -5.978 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.757 0.731 -8.445 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.549 1.151 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.251 2.222 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -13.374 -0.814 -6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -14.650 0.207 -6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -15.398 -0.003 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -14.406 1.430 -8.627 1.00 0.00 H new ATOM 0 HE ARG A 226 -12.744 -0.844 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -15.493 0.852 -10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -15.094 0.354 -12.149 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -12.237 -1.478 -11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -13.258 -0.960 -12.540 1.00 0.00 H new ATOM 311 N GLU A 227 -11.063 3.065 -8.886 1.00 0.00 N ATOM 312 CA GLU A 227 -10.546 4.390 -9.208 1.00 0.00 C ATOM 313 C GLU A 227 -11.062 5.431 -8.219 1.00 0.00 C ATOM 314 O GLU A 227 -10.520 6.532 -8.121 1.00 0.00 O ATOM 315 CB GLU A 227 -10.942 4.783 -10.633 1.00 0.00 C ATOM 316 CG GLU A 227 -12.380 5.258 -10.755 1.00 0.00 C ATOM 317 CD GLU A 227 -12.799 5.481 -12.195 1.00 0.00 C ATOM 318 OE1 GLU A 227 -12.552 4.586 -13.030 1.00 0.00 O ATOM 319 OE2 GLU A 227 -13.375 6.550 -12.487 1.00 0.00 O ATOM 0 H GLU A 227 -11.519 2.589 -9.664 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.459 4.355 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -10.276 5.573 -10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -10.794 3.927 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -13.042 4.523 -10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -12.501 6.187 -10.197 1.00 0.00 H new ATOM 326 N ASP A 228 -12.112 5.074 -7.489 1.00 0.00 N ATOM 327 CA ASP A 228 -12.702 5.976 -6.506 1.00 0.00 C ATOM 328 C ASP A 228 -12.100 5.743 -5.124 1.00 0.00 C ATOM 329 O ASP A 228 -11.904 6.685 -4.354 1.00 0.00 O ATOM 330 CB ASP A 228 -14.219 5.786 -6.454 1.00 0.00 C ATOM 331 CG ASP A 228 -14.866 6.592 -5.345 1.00 0.00 C ATOM 332 OD1 ASP A 228 -14.403 6.489 -4.190 1.00 0.00 O ATOM 333 OD2 ASP A 228 -15.836 7.325 -5.631 1.00 0.00 O ATOM 0 H ASP A 228 -12.573 4.167 -7.559 1.00 0.00 H new ATOM 0 HA ASP A 228 -12.482 6.999 -6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -14.652 6.078 -7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -14.445 4.729 -6.311 1.00 0.00 H new ATOM 338 N LEU A 229 -11.810 4.485 -4.816 1.00 0.00 N ATOM 339 CA LEU A 229 -11.231 4.127 -3.525 1.00 0.00 C ATOM 340 C LEU A 229 -9.760 4.526 -3.459 1.00 0.00 C ATOM 341 O LEU A 229 -9.207 4.719 -2.377 1.00 0.00 O ATOM 342 CB LEU A 229 -11.375 2.625 -3.278 1.00 0.00 C ATOM 343 CG LEU A 229 -12.806 2.088 -3.221 1.00 0.00 C ATOM 344 CD1 LEU A 229 -12.804 0.569 -3.149 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.551 2.680 -2.033 1.00 0.00 C ATOM 0 H LEU A 229 -11.966 3.695 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 229 -11.771 4.670 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -10.840 2.095 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -10.880 2.383 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.322 2.387 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -13.831 0.205 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -12.309 0.164 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.270 0.248 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.567 2.287 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -13.036 2.412 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.584 3.765 -2.128 1.00 0.00 H new ATOM 357 N MET A 230 -9.133 4.650 -4.625 1.00 0.00 N ATOM 358 CA MET A 230 -7.727 5.029 -4.699 1.00 0.00 C ATOM 359 C MET A 230 -7.406 6.129 -3.691 1.00 0.00 C ATOM 360 O MET A 230 -6.639 5.919 -2.753 1.00 0.00 O ATOM 361 CB MET A 230 -7.377 5.499 -6.112 1.00 0.00 C ATOM 362 CG MET A 230 -7.212 4.362 -7.107 1.00 0.00 C ATOM 363 SD MET A 230 -6.244 4.839 -8.552 1.00 0.00 S ATOM 364 CE MET A 230 -5.111 3.456 -8.672 1.00 0.00 C ATOM 0 H MET A 230 -9.576 4.494 -5.530 1.00 0.00 H new ATOM 0 HA MET A 230 -7.127 4.152 -4.456 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.159 6.171 -6.467 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.453 6.076 -6.076 1.00 0.00 H new ATOM 0 HG2 MET A 230 -6.729 3.519 -6.613 1.00 0.00 H new ATOM 0 HG3 MET A 230 -8.196 4.021 -7.430 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.504 3.560 -9.571 1.00 0.00 H new ATOM 0 HE2 MET A 230 -4.462 3.440 -7.796 1.00 0.00 H new ATOM 0 HE3 MET A 230 -5.677 2.526 -8.722 1.00 0.00 H new ATOM 374 N GLY A 231 -8.000 7.301 -3.892 1.00 0.00 N ATOM 375 CA GLY A 231 -7.764 8.416 -2.993 1.00 0.00 C ATOM 376 C GLY A 231 -7.592 7.973 -1.553 1.00 0.00 C ATOM 377 O GLY A 231 -6.578 8.270 -0.922 1.00 0.00 O ATOM 0 H GLY A 231 -8.640 7.499 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -6.872 8.955 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -8.599 9.114 -3.058 1.00 0.00 H new ATOM 381 N LEU A 232 -8.586 7.262 -1.032 1.00 0.00 N ATOM 382 CA LEU A 232 -8.541 6.778 0.343 1.00 0.00 C ATOM 383 C LEU A 232 -7.400 5.784 0.534 1.00 0.00 C ATOM 384 O LEU A 232 -6.455 6.045 1.278 1.00 0.00 O ATOM 385 CB LEU A 232 -9.871 6.122 0.718 1.00 0.00 C ATOM 386 CG LEU A 232 -11.063 7.067 0.882 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.371 6.296 0.792 1.00 0.00 C ATOM 388 CD2 LEU A 232 -10.972 7.815 2.204 1.00 0.00 C ATOM 0 H LEU A 232 -9.433 7.008 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.367 7.633 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.119 5.386 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -9.734 5.577 1.652 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.039 7.797 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.208 6.984 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.439 5.807 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.405 5.544 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -11.828 8.483 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -10.971 7.100 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.052 8.399 2.229 1.00 0.00 H new ATOM 400 N ALA A 233 -7.494 4.645 -0.144 1.00 0.00 N ATOM 401 CA ALA A 233 -6.467 3.615 -0.052 1.00 0.00 C ATOM 402 C ALA A 233 -5.071 4.228 -0.057 1.00 0.00 C ATOM 403 O ALA A 233 -4.135 3.668 0.514 1.00 0.00 O ATOM 404 CB ALA A 233 -6.613 2.621 -1.196 1.00 0.00 C ATOM 0 H ALA A 233 -8.271 4.412 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.600 3.088 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.840 1.857 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.595 2.150 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.509 3.143 -2.147 1.00 0.00 H new ATOM 410 N ILE A 234 -4.939 5.381 -0.704 1.00 0.00 N ATOM 411 CA ILE A 234 -3.657 6.070 -0.782 1.00 0.00 C ATOM 412 C ILE A 234 -3.480 7.035 0.385 1.00 0.00 C ATOM 413 O ILE A 234 -2.371 7.227 0.883 1.00 0.00 O ATOM 414 CB ILE A 234 -3.515 6.849 -2.103 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.562 5.889 -3.294 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.221 7.648 -2.111 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.401 6.577 -4.631 1.00 0.00 C ATOM 0 H ILE A 234 -5.704 5.858 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 234 -2.884 5.303 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.349 7.545 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.775 5.144 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.512 5.354 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -2.136 8.193 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -2.225 8.355 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.374 6.970 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.444 5.836 -5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -4.203 7.303 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.439 7.089 -4.663 1.00 0.00 H new ATOM 429 N GLY A 235 -4.582 7.640 0.819 1.00 0.00 N ATOM 430 CA GLY A 235 -4.527 8.576 1.926 1.00 0.00 C ATOM 431 C GLY A 235 -4.281 10.000 1.469 1.00 0.00 C ATOM 432 O GLY A 235 -4.680 10.386 0.369 1.00 0.00 O ATOM 0 H GLY A 235 -5.511 7.498 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.464 8.533 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -3.735 8.276 2.613 1.00 0.00 H new ATOM 436 N THR A 236 -3.624 10.787 2.316 1.00 0.00 N ATOM 437 CA THR A 236 -3.328 12.177 1.994 1.00 0.00 C ATOM 438 C THR A 236 -1.899 12.333 1.488 1.00 0.00 C ATOM 439 O THR A 236 -0.985 11.654 1.960 1.00 0.00 O ATOM 440 CB THR A 236 -3.530 13.092 3.217 1.00 0.00 C ATOM 441 OG1 THR A 236 -3.647 14.455 2.795 1.00 0.00 O ATOM 442 CG2 THR A 236 -2.370 12.956 4.192 1.00 0.00 C ATOM 0 H THR A 236 -3.287 10.485 3.230 1.00 0.00 H new ATOM 0 HA THR A 236 -4.023 12.474 1.208 1.00 0.00 H new ATOM 0 HB THR A 236 -4.447 12.788 3.723 1.00 0.00 H new ATOM 0 HG1 THR A 236 -3.777 15.030 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 236 -2.535 13.611 5.047 1.00 0.00 H new ATOM 0 HG22 THR A 236 -2.301 11.923 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 236 -1.442 13.236 3.694 1.00 0.00 H new ATOM 450 N HIS A 237 -1.710 13.230 0.526 1.00 0.00 N ATOM 451 CA HIS A 237 -0.390 13.475 -0.044 1.00 0.00 C ATOM 452 C HIS A 237 0.423 12.185 -0.105 1.00 0.00 C ATOM 453 O HIS A 237 1.598 12.163 0.259 1.00 0.00 O ATOM 454 CB HIS A 237 0.357 14.524 0.780 1.00 0.00 C ATOM 455 CG HIS A 237 0.070 15.932 0.358 1.00 0.00 C ATOM 456 ND1 HIS A 237 0.731 16.557 -0.679 1.00 0.00 N ATOM 457 CD2 HIS A 237 -0.814 16.838 0.838 1.00 0.00 C ATOM 458 CE1 HIS A 237 0.268 17.786 -0.817 1.00 0.00 C ATOM 459 NE2 HIS A 237 -0.671 17.982 0.092 1.00 0.00 N ATOM 0 H HIS A 237 -2.455 13.800 0.124 1.00 0.00 H new ATOM 0 HA HIS A 237 -0.523 13.848 -1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 237 0.090 14.407 1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 237 1.429 14.341 0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 237 -1.504 16.689 1.656 1.00 0.00 H new ATOM 0 HE1 HIS A 237 0.600 18.508 -1.548 1.00 0.00 H new ATOM 0 HE2 HIS A 237 -1.203 18.843 0.219 1.00 0.00 H new ATOM 467 N GLY A 238 -0.212 11.112 -0.567 1.00 0.00 N ATOM 468 CA GLY A 238 0.468 9.834 -0.666 1.00 0.00 C ATOM 469 C GLY A 238 0.963 9.335 0.677 1.00 0.00 C ATOM 470 O GLY A 238 2.163 9.134 0.868 1.00 0.00 O ATOM 0 H GLY A 238 -1.185 11.105 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.210 9.097 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.312 9.927 -1.349 1.00 0.00 H new ATOM 474 N SER A 239 0.039 9.137 1.611 1.00 0.00 N ATOM 475 CA SER A 239 0.389 8.664 2.945 1.00 0.00 C ATOM 476 C SER A 239 0.500 7.142 2.970 1.00 0.00 C ATOM 477 O SER A 239 1.562 6.591 3.257 1.00 0.00 O ATOM 478 CB SER A 239 -0.654 9.127 3.963 1.00 0.00 C ATOM 479 OG SER A 239 -0.083 9.263 5.253 1.00 0.00 O ATOM 0 H SER A 239 -0.958 9.297 1.469 1.00 0.00 H new ATOM 0 HA SER A 239 1.358 9.086 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 239 -1.077 10.081 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.475 8.411 3.999 1.00 0.00 H new ATOM 0 HG SER A 239 -0.770 9.562 5.885 1.00 0.00 H new ATOM 485 N ASN A 240 -0.606 6.469 2.667 1.00 0.00 N ATOM 486 CA ASN A 240 -0.634 5.011 2.655 1.00 0.00 C ATOM 487 C ASN A 240 0.547 4.451 1.868 1.00 0.00 C ATOM 488 O ASN A 240 1.368 3.709 2.407 1.00 0.00 O ATOM 489 CB ASN A 240 -1.948 4.511 2.051 1.00 0.00 C ATOM 490 CG ASN A 240 -3.158 4.960 2.847 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.373 6.155 3.050 1.00 0.00 O ATOM 492 ND2 ASN A 240 -3.955 4.000 3.303 1.00 0.00 N ATOM 0 H ASN A 240 -1.494 6.910 2.427 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.559 4.662 3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -2.035 4.874 1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -1.932 3.422 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -4.784 4.241 3.846 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.738 3.022 3.110 1.00 0.00 H new ATOM 499 N ILE A 241 0.624 4.811 0.592 1.00 0.00 N ATOM 500 CA ILE A 241 1.705 4.346 -0.269 1.00 0.00 C ATOM 501 C ILE A 241 3.046 4.399 0.455 1.00 0.00 C ATOM 502 O ILE A 241 3.767 3.403 0.520 1.00 0.00 O ATOM 503 CB ILE A 241 1.798 5.182 -1.559 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.656 4.819 -2.511 1.00 0.00 C ATOM 505 CG2 ILE A 241 3.145 4.968 -2.233 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.689 5.586 -3.814 1.00 0.00 C ATOM 0 H ILE A 241 -0.049 5.423 0.131 1.00 0.00 H new ATOM 0 HA ILE A 241 1.476 3.313 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 241 1.708 6.237 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.699 3.751 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.295 5.006 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 241 3.195 5.565 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.943 5.271 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 241 3.263 3.914 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.149 5.278 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.615 6.654 -3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.625 5.380 -4.334 1.00 0.00 H new ATOM 518 N GLN A 242 3.372 5.566 1.000 1.00 0.00 N ATOM 519 CA GLN A 242 4.626 5.748 1.721 1.00 0.00 C ATOM 520 C GLN A 242 4.824 4.647 2.757 1.00 0.00 C ATOM 521 O GLN A 242 5.715 3.809 2.624 1.00 0.00 O ATOM 522 CB GLN A 242 4.653 7.117 2.404 1.00 0.00 C ATOM 523 CG GLN A 242 5.226 8.221 1.530 1.00 0.00 C ATOM 524 CD GLN A 242 5.663 9.432 2.332 1.00 0.00 C ATOM 525 OE1 GLN A 242 4.907 9.952 3.153 1.00 0.00 O ATOM 526 NE2 GLN A 242 6.888 9.887 2.097 1.00 0.00 N ATOM 0 H GLN A 242 2.786 6.399 0.956 1.00 0.00 H new ATOM 0 HA GLN A 242 5.441 5.693 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.639 7.387 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 242 5.242 7.046 3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 242 6.078 7.832 0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.478 8.525 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 242 7.480 9.424 1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 242 7.237 10.699 2.606 1.00 0.00 H new ATOM 535 N GLN A 243 3.986 4.655 3.789 1.00 0.00 N ATOM 536 CA GLN A 243 4.070 3.656 4.848 1.00 0.00 C ATOM 537 C GLN A 243 4.373 2.276 4.273 1.00 0.00 C ATOM 538 O GLN A 243 5.314 1.608 4.700 1.00 0.00 O ATOM 539 CB GLN A 243 2.763 3.614 5.643 1.00 0.00 C ATOM 540 CG GLN A 243 2.533 4.849 6.500 1.00 0.00 C ATOM 541 CD GLN A 243 3.676 5.114 7.461 1.00 0.00 C ATOM 542 OE1 GLN A 243 4.433 4.207 7.808 1.00 0.00 O ATOM 543 NE2 GLN A 243 3.806 6.361 7.896 1.00 0.00 N ATOM 0 H GLN A 243 3.242 5.341 3.914 1.00 0.00 H new ATOM 0 HA GLN A 243 4.885 3.938 5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 243 1.929 3.502 4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.765 2.732 6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.399 5.716 5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 243 1.609 4.727 7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 243 3.155 7.081 7.582 1.00 0.00 H new ATOM 0 HE22 GLN A 243 4.556 6.599 8.544 1.00 0.00 H new ATOM 552 N ALA A 244 3.569 1.856 3.302 1.00 0.00 N ATOM 553 CA ALA A 244 3.753 0.557 2.667 1.00 0.00 C ATOM 554 C ALA A 244 5.195 0.367 2.211 1.00 0.00 C ATOM 555 O ALA A 244 5.809 -0.667 2.474 1.00 0.00 O ATOM 556 CB ALA A 244 2.801 0.406 1.490 1.00 0.00 C ATOM 0 H ALA A 244 2.784 2.396 2.938 1.00 0.00 H new ATOM 0 HA ALA A 244 3.529 -0.214 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 244 2.949 -0.569 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.772 0.488 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 244 2.998 1.190 0.759 1.00 0.00 H new ATOM 562 N ARG A 245 5.731 1.372 1.527 1.00 0.00 N ATOM 563 CA ARG A 245 7.102 1.315 1.032 1.00 0.00 C ATOM 564 C ARG A 245 8.099 1.377 2.186 1.00 0.00 C ATOM 565 O ARG A 245 9.285 1.098 2.012 1.00 0.00 O ATOM 566 CB ARG A 245 7.363 2.464 0.056 1.00 0.00 C ATOM 567 CG ARG A 245 8.838 2.707 -0.217 1.00 0.00 C ATOM 568 CD ARG A 245 9.047 3.916 -1.115 1.00 0.00 C ATOM 569 NE ARG A 245 10.380 4.491 -0.959 1.00 0.00 N ATOM 570 CZ ARG A 245 10.833 5.506 -1.687 1.00 0.00 C ATOM 571 NH1 ARG A 245 10.062 6.055 -2.616 1.00 0.00 N ATOM 572 NH2 ARG A 245 12.058 5.973 -1.487 1.00 0.00 N ATOM 0 H ARG A 245 5.237 2.236 1.303 1.00 0.00 H new ATOM 0 HA ARG A 245 7.234 0.367 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 245 6.858 2.251 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 245 6.921 3.377 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 245 9.364 2.858 0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 245 9.272 1.824 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 245 8.897 3.625 -2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 245 8.297 4.672 -0.884 1.00 0.00 H new ATOM 0 HE ARG A 245 10.997 4.091 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 245 9.119 5.698 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 245 10.412 6.834 -3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 245 12.654 5.553 -0.774 1.00 0.00 H new ATOM 0 HH22 ARG A 245 12.404 6.752 -2.047 1.00 0.00 H new ATOM 586 N LYS A 246 7.609 1.746 3.365 1.00 0.00 N ATOM 587 CA LYS A 246 8.455 1.844 4.549 1.00 0.00 C ATOM 588 C LYS A 246 8.567 0.495 5.251 1.00 0.00 C ATOM 589 O LYS A 246 9.136 0.395 6.338 1.00 0.00 O ATOM 590 CB LYS A 246 7.895 2.890 5.515 1.00 0.00 C ATOM 591 CG LYS A 246 7.723 4.264 4.892 1.00 0.00 C ATOM 592 CD LYS A 246 8.974 5.111 5.056 1.00 0.00 C ATOM 593 CE LYS A 246 8.861 6.425 4.299 1.00 0.00 C ATOM 594 NZ LYS A 246 8.067 7.434 5.053 1.00 0.00 N ATOM 0 H LYS A 246 6.630 1.982 3.526 1.00 0.00 H new ATOM 0 HA LYS A 246 9.451 2.150 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 246 6.930 2.547 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 246 8.560 2.971 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 246 7.491 4.158 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 246 6.876 4.771 5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 246 9.142 5.313 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 246 9.840 4.556 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 246 9.859 6.819 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 246 8.395 6.247 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 8.014 8.315 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 7.107 7.069 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 8.525 7.624 5.967 1.00 0.00 H new ATOM 608 N VAL A 247 8.022 -0.542 4.623 1.00 0.00 N ATOM 609 CA VAL A 247 8.063 -1.886 5.187 1.00 0.00 C ATOM 610 C VAL A 247 9.275 -2.658 4.679 1.00 0.00 C ATOM 611 O VAL A 247 9.635 -2.594 3.503 1.00 0.00 O ATOM 612 CB VAL A 247 6.785 -2.676 4.847 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.884 -4.101 5.370 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.559 -1.975 5.414 1.00 0.00 C ATOM 0 H VAL A 247 7.547 -0.477 3.723 1.00 0.00 H new ATOM 0 HA VAL A 247 8.135 -1.774 6.269 1.00 0.00 H new ATOM 0 HB VAL A 247 6.682 -2.718 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.972 -4.644 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.739 -4.598 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 247 7.011 -4.083 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.665 -2.547 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 247 5.651 -1.900 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.481 -0.975 4.987 1.00 0.00 H new ATOM 624 N PRO A 248 9.921 -3.407 5.584 1.00 0.00 N ATOM 625 CA PRO A 248 11.103 -4.208 5.251 1.00 0.00 C ATOM 626 C PRO A 248 10.763 -5.400 4.362 1.00 0.00 C ATOM 627 O PRO A 248 9.662 -5.945 4.431 1.00 0.00 O ATOM 628 CB PRO A 248 11.604 -4.685 6.617 1.00 0.00 C ATOM 629 CG PRO A 248 10.397 -4.672 7.490 1.00 0.00 C ATOM 630 CD PRO A 248 9.547 -3.531 7.003 1.00 0.00 C ATOM 0 HA PRO A 248 11.839 -3.634 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 248 12.036 -5.684 6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 248 12.381 -4.026 7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 248 9.857 -5.617 7.424 1.00 0.00 H new ATOM 0 HG3 PRO A 248 10.673 -4.535 8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 248 8.484 -3.743 7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 248 9.752 -2.613 7.554 1.00 0.00 H new ATOM 638 N GLY A 249 11.718 -5.801 3.528 1.00 0.00 N ATOM 639 CA GLY A 249 11.500 -6.926 2.638 1.00 0.00 C ATOM 640 C GLY A 249 10.856 -6.514 1.329 1.00 0.00 C ATOM 641 O GLY A 249 10.917 -7.246 0.341 1.00 0.00 O ATOM 0 H GLY A 249 12.638 -5.367 3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 249 12.453 -7.413 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.867 -7.661 3.135 1.00 0.00 H new ATOM 645 N VAL A 250 10.235 -5.339 1.321 1.00 0.00 N ATOM 646 CA VAL A 250 9.576 -4.831 0.124 1.00 0.00 C ATOM 647 C VAL A 250 10.572 -4.139 -0.800 1.00 0.00 C ATOM 648 O VAL A 250 11.039 -3.036 -0.515 1.00 0.00 O ATOM 649 CB VAL A 250 8.450 -3.841 0.481 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.828 -3.263 -0.781 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.397 -4.520 1.342 1.00 0.00 C ATOM 0 H VAL A 250 10.175 -4.721 2.130 1.00 0.00 H new ATOM 0 HA VAL A 250 9.145 -5.691 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 250 8.880 -3.020 1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 250 7.035 -2.566 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.591 -2.738 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.411 -4.070 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.610 -3.806 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.969 -5.361 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.857 -4.880 2.263 1.00 0.00 H new ATOM 661 N THR A 251 10.893 -4.795 -1.911 1.00 0.00 N ATOM 662 CA THR A 251 11.834 -4.244 -2.878 1.00 0.00 C ATOM 663 C THR A 251 11.338 -2.913 -3.432 1.00 0.00 C ATOM 664 O THR A 251 12.032 -1.900 -3.351 1.00 0.00 O ATOM 665 CB THR A 251 12.071 -5.218 -4.048 1.00 0.00 C ATOM 666 OG1 THR A 251 10.862 -5.389 -4.796 1.00 0.00 O ATOM 667 CG2 THR A 251 12.555 -6.568 -3.540 1.00 0.00 C ATOM 0 H THR A 251 10.515 -5.708 -2.163 1.00 0.00 H new ATOM 0 HA THR A 251 12.774 -4.086 -2.350 1.00 0.00 H new ATOM 0 HB THR A 251 12.840 -4.794 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 251 11.079 -5.669 -5.710 1.00 0.00 H new ATOM 0 HG21 THR A 251 12.715 -7.238 -4.384 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.491 -6.438 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 251 11.806 -6.996 -2.874 1.00 0.00 H new ATOM 675 N ALA A 252 10.134 -2.923 -3.993 1.00 0.00 N ATOM 676 CA ALA A 252 9.544 -1.716 -4.558 1.00 0.00 C ATOM 677 C ALA A 252 8.023 -1.816 -4.601 1.00 0.00 C ATOM 678 O ALA A 252 7.461 -2.907 -4.507 1.00 0.00 O ATOM 679 CB ALA A 252 10.098 -1.460 -5.952 1.00 0.00 C ATOM 0 H ALA A 252 9.548 -3.754 -4.068 1.00 0.00 H new ATOM 0 HA ALA A 252 9.808 -0.877 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.649 -0.555 -6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.179 -1.335 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.863 -2.306 -6.598 1.00 0.00 H new ATOM 685 N ILE A 253 7.363 -0.671 -4.742 1.00 0.00 N ATOM 686 CA ILE A 253 5.907 -0.631 -4.798 1.00 0.00 C ATOM 687 C ILE A 253 5.425 0.284 -5.918 1.00 0.00 C ATOM 688 O ILE A 253 5.515 1.507 -5.816 1.00 0.00 O ATOM 689 CB ILE A 253 5.306 -0.151 -3.464 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.574 -1.176 -2.360 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.812 0.096 -3.614 1.00 0.00 C ATOM 692 CD1 ILE A 253 5.082 -0.739 -0.998 1.00 0.00 C ATOM 0 H ILE A 253 7.813 0.241 -4.819 1.00 0.00 H new ATOM 0 HA ILE A 253 5.570 -1.649 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 253 5.783 0.788 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.094 -2.118 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.646 -1.368 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.402 0.435 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.644 0.859 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.319 -0.829 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.305 -1.514 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.580 0.187 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 253 4.005 -0.575 -1.036 1.00 0.00 H new ATOM 704 N GLU A 254 4.911 -0.318 -6.987 1.00 0.00 N ATOM 705 CA GLU A 254 4.414 0.443 -8.126 1.00 0.00 C ATOM 706 C GLU A 254 2.889 0.414 -8.176 1.00 0.00 C ATOM 707 O GLU A 254 2.251 -0.422 -7.534 1.00 0.00 O ATOM 708 CB GLU A 254 4.988 -0.114 -9.430 1.00 0.00 C ATOM 709 CG GLU A 254 6.385 0.393 -9.746 1.00 0.00 C ATOM 710 CD GLU A 254 6.500 1.900 -9.627 1.00 0.00 C ATOM 711 OE1 GLU A 254 5.630 2.607 -10.177 1.00 0.00 O ATOM 712 OE2 GLU A 254 7.459 2.373 -8.982 1.00 0.00 O ATOM 0 H GLU A 254 4.828 -1.330 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 254 4.737 1.477 -8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 254 5.010 -1.202 -9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.321 0.148 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 254 7.099 -0.077 -9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 254 6.657 0.090 -10.757 1.00 0.00 H new ATOM 719 N LEU A 255 2.310 1.332 -8.942 1.00 0.00 N ATOM 720 CA LEU A 255 0.860 1.413 -9.076 1.00 0.00 C ATOM 721 C LEU A 255 0.463 1.744 -10.511 1.00 0.00 C ATOM 722 O LEU A 255 1.125 2.536 -11.182 1.00 0.00 O ATOM 723 CB LEU A 255 0.298 2.469 -8.123 1.00 0.00 C ATOM 724 CG LEU A 255 -1.044 3.086 -8.520 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.165 2.069 -8.365 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.328 4.327 -7.687 1.00 0.00 C ATOM 0 H LEU A 255 2.823 2.031 -9.480 1.00 0.00 H new ATOM 0 HA LEU A 255 0.441 0.440 -8.818 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.190 2.018 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 255 1.030 3.271 -8.029 1.00 0.00 H new ATOM 0 HG LEU A 255 -0.991 3.381 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -3.112 2.525 -8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -1.968 1.209 -9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.219 1.743 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.287 4.753 -7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.361 4.057 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.539 5.062 -7.849 1.00 0.00 H new ATOM 738 N ASP A 256 -0.621 1.133 -10.976 1.00 0.00 N ATOM 739 CA ASP A 256 -1.109 1.365 -12.330 1.00 0.00 C ATOM 740 C ASP A 256 -2.279 2.344 -12.327 1.00 0.00 C ATOM 741 O ASP A 256 -3.236 2.179 -11.572 1.00 0.00 O ATOM 742 CB ASP A 256 -1.534 0.045 -12.975 1.00 0.00 C ATOM 743 CG ASP A 256 -0.396 -0.633 -13.711 1.00 0.00 C ATOM 744 OD1 ASP A 256 0.053 -0.087 -14.741 1.00 0.00 O ATOM 745 OD2 ASP A 256 0.046 -1.710 -13.259 1.00 0.00 O ATOM 0 H ASP A 256 -1.179 0.473 -10.434 1.00 0.00 H new ATOM 0 HA ASP A 256 -0.297 1.800 -12.912 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -1.916 -0.626 -12.205 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -2.353 0.231 -13.670 1.00 0.00 H new ATOM 750 N GLU A 257 -2.193 3.364 -13.175 1.00 0.00 N ATOM 751 CA GLU A 257 -3.244 4.370 -13.268 1.00 0.00 C ATOM 752 C GLU A 257 -4.148 4.104 -14.467 1.00 0.00 C ATOM 753 O GLU A 257 -5.240 4.663 -14.571 1.00 0.00 O ATOM 754 CB GLU A 257 -2.633 5.769 -13.376 1.00 0.00 C ATOM 755 CG GLU A 257 -2.237 6.366 -12.036 1.00 0.00 C ATOM 756 CD GLU A 257 -2.288 7.882 -12.034 1.00 0.00 C ATOM 757 OE1 GLU A 257 -3.402 8.438 -11.951 1.00 0.00 O ATOM 758 OE2 GLU A 257 -1.212 8.511 -12.117 1.00 0.00 O ATOM 0 H GLU A 257 -1.407 3.515 -13.807 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.847 4.313 -12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -1.753 5.723 -14.018 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.348 6.432 -13.862 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -2.901 5.983 -11.261 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.229 6.040 -11.781 1.00 0.00 H new ATOM 765 N ASP A 258 -3.685 3.247 -15.371 1.00 0.00 N ATOM 766 CA ASP A 258 -4.451 2.906 -16.564 1.00 0.00 C ATOM 767 C ASP A 258 -5.753 2.202 -16.191 1.00 0.00 C ATOM 768 O ASP A 258 -6.795 2.433 -16.805 1.00 0.00 O ATOM 769 CB ASP A 258 -3.623 2.014 -17.490 1.00 0.00 C ATOM 770 CG ASP A 258 -2.360 2.699 -17.975 1.00 0.00 C ATOM 771 OD1 ASP A 258 -2.473 3.665 -18.758 1.00 0.00 O ATOM 772 OD2 ASP A 258 -1.260 2.269 -17.572 1.00 0.00 O ATOM 0 H ASP A 258 -2.783 2.776 -15.300 1.00 0.00 H new ATOM 0 HA ASP A 258 -4.695 3.831 -17.086 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -3.357 1.097 -16.964 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -4.229 1.725 -18.349 1.00 0.00 H new ATOM 777 N THR A 259 -5.685 1.341 -15.180 1.00 0.00 N ATOM 778 CA THR A 259 -6.857 0.602 -14.727 1.00 0.00 C ATOM 779 C THR A 259 -7.044 0.740 -13.220 1.00 0.00 C ATOM 780 O THR A 259 -8.166 0.687 -12.717 1.00 0.00 O ATOM 781 CB THR A 259 -6.751 -0.893 -15.085 1.00 0.00 C ATOM 782 OG1 THR A 259 -5.546 -1.443 -14.541 1.00 0.00 O ATOM 783 CG2 THR A 259 -6.770 -1.090 -16.593 1.00 0.00 C ATOM 0 H THR A 259 -4.831 1.139 -14.660 1.00 0.00 H new ATOM 0 HA THR A 259 -7.719 1.030 -15.239 1.00 0.00 H new ATOM 0 HB THR A 259 -7.610 -1.409 -14.656 1.00 0.00 H new ATOM 0 HG1 THR A 259 -5.487 -2.394 -14.772 1.00 0.00 H new ATOM 0 HG21 THR A 259 -6.694 -2.153 -16.822 1.00 0.00 H new ATOM 0 HG22 THR A 259 -7.702 -0.697 -17.000 1.00 0.00 H new ATOM 0 HG23 THR A 259 -5.928 -0.562 -17.040 1.00 0.00 H new ATOM 791 N GLY A 260 -5.938 0.918 -12.504 1.00 0.00 N ATOM 792 CA GLY A 260 -6.003 1.061 -11.061 1.00 0.00 C ATOM 793 C GLY A 260 -5.608 -0.209 -10.334 1.00 0.00 C ATOM 794 O GLY A 260 -6.392 -0.761 -9.562 1.00 0.00 O ATOM 0 H GLY A 260 -4.998 0.966 -12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.346 1.873 -10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -7.016 1.341 -10.772 1.00 0.00 H new ATOM 798 N THR A 261 -4.388 -0.675 -10.581 1.00 0.00 N ATOM 799 CA THR A 261 -3.891 -1.890 -9.947 1.00 0.00 C ATOM 800 C THR A 261 -2.571 -1.634 -9.229 1.00 0.00 C ATOM 801 O THR A 261 -1.596 -1.194 -9.839 1.00 0.00 O ATOM 802 CB THR A 261 -3.693 -3.020 -10.974 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.947 -3.359 -11.577 1.00 0.00 O ATOM 804 CG2 THR A 261 -3.093 -4.252 -10.314 1.00 0.00 C ATOM 0 H THR A 261 -3.726 -0.229 -11.216 1.00 0.00 H new ATOM 0 HA THR A 261 -4.643 -2.198 -9.221 1.00 0.00 H new ATOM 0 HB THR A 261 -3.005 -2.667 -11.742 1.00 0.00 H new ATOM 0 HG1 THR A 261 -5.646 -2.764 -11.235 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.962 -5.037 -11.059 1.00 0.00 H new ATOM 0 HG22 THR A 261 -2.125 -3.998 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.761 -4.605 -9.528 1.00 0.00 H new ATOM 812 N PHE A 262 -2.545 -1.914 -7.930 1.00 0.00 N ATOM 813 CA PHE A 262 -1.343 -1.714 -7.129 1.00 0.00 C ATOM 814 C PHE A 262 -0.435 -2.938 -7.195 1.00 0.00 C ATOM 815 O PHE A 262 -0.855 -4.053 -6.883 1.00 0.00 O ATOM 816 CB PHE A 262 -1.717 -1.421 -5.674 1.00 0.00 C ATOM 817 CG PHE A 262 -1.901 0.042 -5.385 1.00 0.00 C ATOM 818 CD1 PHE A 262 -0.807 0.856 -5.140 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.167 0.603 -5.360 1.00 0.00 C ATOM 820 CE1 PHE A 262 -0.973 2.201 -4.873 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.340 1.949 -5.094 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.241 2.749 -4.851 1.00 0.00 C ATOM 0 H PHE A 262 -3.342 -2.280 -7.410 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.803 -0.860 -7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.638 -1.950 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -0.940 -1.817 -5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 262 0.187 0.434 -5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.030 -0.018 -5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.112 2.824 -4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.333 2.374 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.372 3.801 -4.644 1.00 0.00 H new ATOM 832 N ARG A 263 0.811 -2.722 -7.604 1.00 0.00 N ATOM 833 CA ARG A 263 1.778 -3.807 -7.714 1.00 0.00 C ATOM 834 C ARG A 263 2.867 -3.673 -6.654 1.00 0.00 C ATOM 835 O ARG A 263 3.681 -2.750 -6.699 1.00 0.00 O ATOM 836 CB ARG A 263 2.407 -3.819 -9.108 1.00 0.00 C ATOM 837 CG ARG A 263 1.631 -4.646 -10.120 1.00 0.00 C ATOM 838 CD ARG A 263 1.954 -4.229 -11.546 1.00 0.00 C ATOM 839 NE ARG A 263 1.163 -4.970 -12.525 1.00 0.00 N ATOM 840 CZ ARG A 263 1.182 -4.714 -13.829 1.00 0.00 C ATOM 841 NH1 ARG A 263 1.947 -3.743 -14.307 1.00 0.00 N ATOM 842 NH2 ARG A 263 0.434 -5.433 -14.657 1.00 0.00 N ATOM 0 H ARG A 263 1.174 -1.805 -7.865 1.00 0.00 H new ATOM 0 HA ARG A 263 1.251 -4.748 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.484 -2.794 -9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.423 -4.208 -9.036 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.867 -5.702 -9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.562 -4.533 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 263 1.768 -3.161 -11.663 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.014 -4.390 -11.740 1.00 0.00 H new ATOM 0 HE ARG A 263 0.564 -5.724 -12.190 1.00 0.00 H new ATOM 0 HH11 ARG A 263 2.524 -3.189 -13.673 1.00 0.00 H new ATOM 0 HH12 ARG A 263 1.959 -3.549 -15.308 1.00 0.00 H new ATOM 0 HH21 ARG A 263 -0.155 -6.182 -14.292 1.00 0.00 H new ATOM 0 HH22 ARG A 263 0.448 -5.237 -15.658 1.00 0.00 H new ATOM 856 N ILE A 264 2.876 -4.600 -5.702 1.00 0.00 N ATOM 857 CA ILE A 264 3.865 -4.586 -4.631 1.00 0.00 C ATOM 858 C ILE A 264 4.933 -5.652 -4.855 1.00 0.00 C ATOM 859 O ILE A 264 4.634 -6.761 -5.297 1.00 0.00 O ATOM 860 CB ILE A 264 3.210 -4.813 -3.256 1.00 0.00 C ATOM 861 CG1 ILE A 264 1.917 -4.002 -3.143 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.175 -4.439 -2.141 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.210 -4.175 -1.818 1.00 0.00 C ATOM 0 H ILE A 264 2.209 -5.370 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 264 4.330 -3.600 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 264 2.964 -5.870 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.146 -2.946 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.242 -4.296 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.697 -4.605 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.071 -5.055 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.449 -3.388 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.302 -3.572 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 264 0.950 -5.224 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.868 -3.854 -1.010 1.00 0.00 H new ATOM 875 N TYR A 265 6.178 -5.308 -4.545 1.00 0.00 N ATOM 876 CA TYR A 265 7.291 -6.235 -4.713 1.00 0.00 C ATOM 877 C TYR A 265 8.009 -6.469 -3.387 1.00 0.00 C ATOM 878 O TYR A 265 8.347 -5.524 -2.676 1.00 0.00 O ATOM 879 CB TYR A 265 8.277 -5.698 -5.752 1.00 0.00 C ATOM 880 CG TYR A 265 7.665 -5.497 -7.120 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.027 -4.307 -7.449 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.723 -6.497 -8.083 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.466 -4.119 -8.697 1.00 0.00 C ATOM 884 CE2 TYR A 265 7.166 -6.317 -9.334 1.00 0.00 C ATOM 885 CZ TYR A 265 6.539 -5.126 -9.637 1.00 0.00 C ATOM 886 OH TYR A 265 5.981 -4.944 -10.881 1.00 0.00 O ATOM 0 H TYR A 265 6.442 -4.394 -4.176 1.00 0.00 H new ATOM 0 HA TYR A 265 6.889 -7.187 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.681 -4.748 -5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.116 -6.389 -5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 265 6.969 -3.516 -6.716 1.00 0.00 H new ATOM 0 HD2 TYR A 265 8.212 -7.431 -7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 265 5.973 -3.188 -8.936 1.00 0.00 H new ATOM 0 HE2 TYR A 265 7.221 -7.104 -10.071 1.00 0.00 H new ATOM 0 HH TYR A 265 6.121 -5.748 -11.423 1.00 0.00 H new ATOM 896 N GLY A 266 8.239 -7.738 -3.062 1.00 0.00 N ATOM 897 CA GLY A 266 8.916 -8.075 -1.824 1.00 0.00 C ATOM 898 C GLY A 266 9.626 -9.413 -1.897 1.00 0.00 C ATOM 899 O GLY A 266 9.135 -10.349 -2.527 1.00 0.00 O ATOM 0 H GLY A 266 7.968 -8.538 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.640 -7.296 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 266 8.191 -8.096 -1.011 1.00 0.00 H new ATOM 903 N GLU A 267 10.785 -9.502 -1.252 1.00 0.00 N ATOM 904 CA GLU A 267 11.563 -10.735 -1.249 1.00 0.00 C ATOM 905 C GLU A 267 10.749 -11.892 -0.677 1.00 0.00 C ATOM 906 O GLU A 267 10.911 -13.041 -1.086 1.00 0.00 O ATOM 907 CB GLU A 267 12.848 -10.551 -0.438 1.00 0.00 C ATOM 908 CG GLU A 267 13.953 -9.840 -1.201 1.00 0.00 C ATOM 909 CD GLU A 267 15.085 -9.386 -0.301 1.00 0.00 C ATOM 910 OE1 GLU A 267 14.995 -8.267 0.247 1.00 0.00 O ATOM 911 OE2 GLU A 267 16.061 -10.149 -0.143 1.00 0.00 O ATOM 0 H GLU A 267 11.205 -8.736 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 267 11.823 -10.972 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.620 -9.985 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 267 13.209 -11.529 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 267 14.348 -10.508 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.535 -8.976 -1.717 1.00 0.00 H new ATOM 918 N SER A 268 9.873 -11.578 0.273 1.00 0.00 N ATOM 919 CA SER A 268 9.036 -12.591 0.905 1.00 0.00 C ATOM 920 C SER A 268 7.591 -12.115 1.008 1.00 0.00 C ATOM 921 O SER A 268 7.328 -10.964 1.355 1.00 0.00 O ATOM 922 CB SER A 268 9.573 -12.931 2.297 1.00 0.00 C ATOM 923 OG SER A 268 9.280 -14.273 2.643 1.00 0.00 O ATOM 0 H SER A 268 9.725 -10.631 0.621 1.00 0.00 H new ATOM 0 HA SER A 268 9.062 -13.487 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 268 10.651 -12.773 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 268 9.134 -12.258 3.034 1.00 0.00 H new ATOM 0 HG SER A 268 9.635 -14.466 3.536 1.00 0.00 H new ATOM 929 N ALA A 269 6.656 -13.009 0.702 1.00 0.00 N ATOM 930 CA ALA A 269 5.237 -12.682 0.762 1.00 0.00 C ATOM 931 C ALA A 269 4.890 -11.977 2.069 1.00 0.00 C ATOM 932 O ALA A 269 3.956 -11.177 2.126 1.00 0.00 O ATOM 933 CB ALA A 269 4.398 -13.940 0.600 1.00 0.00 C ATOM 0 H ALA A 269 6.856 -13.966 0.410 1.00 0.00 H new ATOM 0 HA ALA A 269 5.012 -12.000 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.340 -13.681 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.616 -14.401 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.635 -14.641 1.400 1.00 0.00 H new ATOM 939 N ASP A 270 5.648 -12.280 3.118 1.00 0.00 N ATOM 940 CA ASP A 270 5.420 -11.676 4.425 1.00 0.00 C ATOM 941 C ASP A 270 5.507 -10.155 4.343 1.00 0.00 C ATOM 942 O ASP A 270 4.696 -9.444 4.936 1.00 0.00 O ATOM 943 CB ASP A 270 6.438 -12.203 5.438 1.00 0.00 C ATOM 944 CG ASP A 270 6.660 -11.242 6.590 1.00 0.00 C ATOM 945 OD1 ASP A 270 5.885 -11.299 7.567 1.00 0.00 O ATOM 946 OD2 ASP A 270 7.608 -10.433 6.513 1.00 0.00 O ATOM 0 H ASP A 270 6.425 -12.940 3.088 1.00 0.00 H new ATOM 0 HA ASP A 270 4.417 -11.948 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 270 6.095 -13.161 5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 270 7.387 -12.386 4.934 1.00 0.00 H new ATOM 951 N ALA A 271 6.497 -9.663 3.605 1.00 0.00 N ATOM 952 CA ALA A 271 6.689 -8.227 3.445 1.00 0.00 C ATOM 953 C ALA A 271 5.539 -7.603 2.662 1.00 0.00 C ATOM 954 O ALA A 271 4.762 -6.815 3.202 1.00 0.00 O ATOM 955 CB ALA A 271 8.015 -7.946 2.754 1.00 0.00 C ATOM 0 H ALA A 271 7.178 -10.238 3.109 1.00 0.00 H new ATOM 0 HA ALA A 271 6.706 -7.775 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 271 8.145 -6.870 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.831 -8.349 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 271 8.020 -8.417 1.771 1.00 0.00 H new ATOM 961 N VAL A 272 5.436 -7.960 1.386 1.00 0.00 N ATOM 962 CA VAL A 272 4.380 -7.436 0.528 1.00 0.00 C ATOM 963 C VAL A 272 3.017 -7.551 1.201 1.00 0.00 C ATOM 964 O VAL A 272 2.152 -6.692 1.029 1.00 0.00 O ATOM 965 CB VAL A 272 4.336 -8.173 -0.824 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.267 -7.507 -1.826 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.697 -9.640 -0.642 1.00 0.00 C ATOM 0 H VAL A 272 6.071 -8.610 0.923 1.00 0.00 H new ATOM 0 HA VAL A 272 4.608 -6.385 0.353 1.00 0.00 H new ATOM 0 HB VAL A 272 3.320 -8.118 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.223 -8.041 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 272 4.959 -6.473 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.288 -7.529 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.661 -10.146 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.702 -9.719 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.987 -10.108 0.040 1.00 0.00 H new ATOM 977 N LYS A 273 2.831 -8.619 1.970 1.00 0.00 N ATOM 978 CA LYS A 273 1.574 -8.848 2.672 1.00 0.00 C ATOM 979 C LYS A 273 1.324 -7.757 3.709 1.00 0.00 C ATOM 980 O LYS A 273 0.250 -7.156 3.747 1.00 0.00 O ATOM 981 CB LYS A 273 1.587 -10.219 3.351 1.00 0.00 C ATOM 982 CG LYS A 273 1.138 -11.351 2.444 1.00 0.00 C ATOM 983 CD LYS A 273 1.298 -12.703 3.118 1.00 0.00 C ATOM 984 CE LYS A 273 0.768 -13.829 2.244 1.00 0.00 C ATOM 985 NZ LYS A 273 -0.692 -14.045 2.442 1.00 0.00 N ATOM 0 H LYS A 273 3.536 -9.340 2.123 1.00 0.00 H new ATOM 0 HA LYS A 273 0.767 -8.821 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.595 -10.429 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.939 -10.188 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 273 0.094 -11.203 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.719 -11.332 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 273 2.351 -12.878 3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 273 0.768 -12.701 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 273 0.962 -13.598 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 273 1.305 -14.749 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -1.015 -14.820 1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -0.875 -14.291 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -1.208 -13.175 2.200 1.00 0.00 H new ATOM 999 N LYS A 274 2.322 -7.506 4.549 1.00 0.00 N ATOM 1000 CA LYS A 274 2.213 -6.486 5.585 1.00 0.00 C ATOM 1001 C LYS A 274 2.039 -5.101 4.969 1.00 0.00 C ATOM 1002 O LYS A 274 1.266 -4.283 5.467 1.00 0.00 O ATOM 1003 CB LYS A 274 3.453 -6.505 6.481 1.00 0.00 C ATOM 1004 CG LYS A 274 3.252 -5.800 7.812 1.00 0.00 C ATOM 1005 CD LYS A 274 4.550 -5.199 8.326 1.00 0.00 C ATOM 1006 CE LYS A 274 5.411 -6.243 9.019 1.00 0.00 C ATOM 1007 NZ LYS A 274 6.612 -5.636 9.658 1.00 0.00 N ATOM 0 H LYS A 274 3.217 -7.996 4.533 1.00 0.00 H new ATOM 0 HA LYS A 274 1.333 -6.709 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.741 -7.540 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 274 4.281 -6.034 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.505 -5.014 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 274 2.862 -6.507 8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 274 5.104 -4.762 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.327 -4.390 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 274 4.819 -6.758 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 274 5.726 -6.994 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 7.173 -6.380 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 7.191 -5.166 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 6.312 -4.938 10.368 1.00 0.00 H new ATOM 1021 N ALA A 275 2.762 -4.846 3.884 1.00 0.00 N ATOM 1022 CA ALA A 275 2.684 -3.562 3.199 1.00 0.00 C ATOM 1023 C ALA A 275 1.379 -3.432 2.421 1.00 0.00 C ATOM 1024 O ALA A 275 0.862 -2.330 2.238 1.00 0.00 O ATOM 1025 CB ALA A 275 3.875 -3.388 2.267 1.00 0.00 C ATOM 0 H ALA A 275 3.408 -5.512 3.460 1.00 0.00 H new ATOM 0 HA ALA A 275 2.707 -2.775 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.804 -2.425 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.798 -3.427 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.877 -4.187 1.526 1.00 0.00 H new ATOM 1031 N ARG A 276 0.852 -4.564 1.966 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.393 -4.576 1.206 1.00 0.00 C ATOM 1033 C ARG A 276 -1.542 -4.011 2.037 1.00 0.00 C ATOM 1034 O ARG A 276 -2.358 -3.237 1.540 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.726 -5.999 0.756 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.198 -6.209 0.439 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.422 -7.492 -0.346 1.00 0.00 C ATOM 1038 NE ARG A 276 -3.688 -7.474 -1.073 1.00 0.00 N ATOM 1039 CZ ARG A 276 -4.853 -7.804 -0.528 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -4.913 -8.174 0.744 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -5.963 -7.764 -1.255 1.00 0.00 N ATOM 0 H ARG A 276 1.267 -5.484 2.110 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.260 -3.946 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 276 -0.135 -6.239 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.428 -6.697 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -2.769 -6.244 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.572 -5.361 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -1.602 -7.634 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -2.408 -8.342 0.336 1.00 0.00 H new ATOM 0 HE ARG A 276 -3.677 -7.192 -2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -4.063 -8.206 1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -5.809 -8.427 1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -5.922 -7.480 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -6.857 -8.018 -0.835 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.598 -4.406 3.305 1.00 0.00 N ATOM 1056 CA GLY A 277 -2.651 -3.930 4.184 1.00 0.00 C ATOM 1057 C GLY A 277 -2.783 -2.420 4.166 1.00 0.00 C ATOM 1058 O GLY A 277 -3.849 -1.879 4.460 1.00 0.00 O ATOM 0 H GLY A 277 -0.934 -5.047 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.599 -4.378 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.448 -4.262 5.202 1.00 0.00 H new ATOM 1062 N PHE A 278 -1.696 -1.737 3.823 1.00 0.00 N ATOM 1063 CA PHE A 278 -1.693 -0.280 3.771 1.00 0.00 C ATOM 1064 C PHE A 278 -2.317 0.219 2.470 1.00 0.00 C ATOM 1065 O PHE A 278 -2.838 1.333 2.406 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.266 0.254 3.903 1.00 0.00 C ATOM 1067 CG PHE A 278 0.289 0.144 5.294 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -0.343 0.767 6.358 1.00 0.00 C ATOM 1069 CD2 PHE A 278 1.444 -0.583 5.538 1.00 0.00 C ATOM 1070 CE1 PHE A 278 0.166 0.667 7.639 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.957 -0.686 6.817 1.00 0.00 C ATOM 1072 CZ PHE A 278 1.317 -0.061 7.869 1.00 0.00 C ATOM 0 H PHE A 278 -0.806 -2.169 3.577 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.290 0.089 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 278 0.382 -0.292 3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.248 1.299 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.244 1.337 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.949 -1.074 4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -0.336 1.158 8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 278 2.858 -1.255 6.994 1.00 0.00 H new ATOM 0 HZ PHE A 278 1.716 -0.141 8.870 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.259 -0.613 1.436 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.817 -0.258 0.136 1.00 0.00 C ATOM 1084 C LEU A 279 -4.162 -0.942 -0.084 1.00 0.00 C ATOM 1085 O LEU A 279 -4.696 -0.939 -1.193 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.846 -0.644 -0.981 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.544 0.155 -1.044 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.468 -0.544 -1.939 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.810 1.569 -1.540 1.00 0.00 C ATOM 0 H LEU A 279 -1.831 -1.538 1.473 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.972 0.821 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.596 -1.699 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.361 -0.537 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 279 -0.128 0.216 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.388 0.039 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.681 -1.536 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 279 0.061 -0.636 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.128 2.123 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -1.249 1.528 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -1.500 2.069 -0.860 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.705 -1.526 0.979 1.00 0.00 N ATOM 1102 CA GLU A 280 -5.988 -2.213 0.901 1.00 0.00 C ATOM 1103 C GLU A 280 -7.107 -1.237 0.547 1.00 0.00 C ATOM 1104 O GLU A 280 -7.098 -0.083 0.976 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.303 -2.906 2.228 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.563 -4.220 2.419 1.00 0.00 C ATOM 1107 CD GLU A 280 -6.188 -5.360 1.640 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -5.801 -5.561 0.469 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -7.064 -6.052 2.200 1.00 0.00 O ATOM 0 H GLU A 280 -4.276 -1.537 1.904 1.00 0.00 H new ATOM 0 HA GLU A 280 -5.921 -2.964 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -6.051 -2.234 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.376 -3.091 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -4.526 -4.097 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -5.549 -4.474 3.479 1.00 0.00 H new