USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 478 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 259 THR OG1 : rot -170:sc= 0.955 USER MOD Set 1.2: A 261 THR OG1 : rot 77:sc= -0.221 USER MOD Single : A 220 HIS : no HD1:sc= -0.0586 X(o=-0.059,f=-0.54) USER MOD Single : A 230 MET CE :methyl 176:sc= -3.21! (180deg=-3.32!) 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= -1.85 K(o=-1.9,f=-6.9!) USER MOD Single : A 242 GLN : amide:sc= -0.0131 K(o=-0.013,f=-2) USER MOD Single : A 243 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.8!) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 THR OG1 : rot 132:sc= -2.73 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+ 148:sc= -0.942 (180deg=-2.77!) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 11.984 -9.635 -6.830 1.00 0.00 N ATOM 149 CA ALA A 217 11.200 -10.035 -5.668 1.00 0.00 C ATOM 150 C ALA A 217 10.506 -11.372 -5.909 1.00 0.00 C ATOM 151 O ALA A 217 9.580 -11.465 -6.713 1.00 0.00 O ATOM 152 CB ALA A 217 10.178 -8.962 -5.325 1.00 0.00 C ATOM 0 HA ALA A 217 11.881 -10.155 -4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.600 -9.275 -4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.693 -8.027 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 217 9.508 -8.814 -6.172 1.00 0.00 H new ATOM 158 N ALA A 218 10.961 -12.404 -5.206 1.00 0.00 N ATOM 159 CA ALA A 218 10.383 -13.735 -5.342 1.00 0.00 C ATOM 160 C ALA A 218 8.861 -13.684 -5.264 1.00 0.00 C ATOM 161 O ALA A 218 8.168 -14.396 -5.990 1.00 0.00 O ATOM 162 CB ALA A 218 10.938 -14.664 -4.272 1.00 0.00 C ATOM 0 H ALA A 218 11.728 -12.344 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 218 10.657 -14.124 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.497 -15.654 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.021 -14.734 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.694 -14.270 -3.286 1.00 0.00 H new ATOM 168 N PHE A 219 8.348 -12.837 -4.378 1.00 0.00 N ATOM 169 CA PHE A 219 6.907 -12.694 -4.204 1.00 0.00 C ATOM 170 C PHE A 219 6.429 -11.338 -4.715 1.00 0.00 C ATOM 171 O PHE A 219 7.145 -10.340 -4.625 1.00 0.00 O ATOM 172 CB PHE A 219 6.532 -12.856 -2.729 1.00 0.00 C ATOM 173 CG PHE A 219 6.641 -14.270 -2.235 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.853 -14.769 -1.785 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.532 -15.100 -2.219 1.00 0.00 C ATOM 176 CE1 PHE A 219 7.956 -16.070 -1.330 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.629 -16.402 -1.765 1.00 0.00 C ATOM 178 CZ PHE A 219 6.843 -16.887 -1.319 1.00 0.00 C ATOM 0 H PHE A 219 8.908 -12.240 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 219 6.417 -13.475 -4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 219 7.178 -12.218 -2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.510 -12.506 -2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.727 -14.134 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.580 -14.725 -2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 219 8.907 -16.447 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 219 4.757 -17.039 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 219 6.921 -17.903 -0.962 1.00 0.00 H new ATOM 188 N HIS A 220 5.215 -11.310 -5.255 1.00 0.00 N ATOM 189 CA HIS A 220 4.640 -10.077 -5.782 1.00 0.00 C ATOM 190 C HIS A 220 3.134 -10.034 -5.543 1.00 0.00 C ATOM 191 O HIS A 220 2.446 -11.046 -5.675 1.00 0.00 O ATOM 192 CB HIS A 220 4.935 -9.951 -7.277 1.00 0.00 C ATOM 193 CG HIS A 220 4.360 -11.064 -8.097 1.00 0.00 C ATOM 194 ND1 HIS A 220 4.841 -12.356 -8.054 1.00 0.00 N ATOM 195 CD2 HIS A 220 3.338 -11.074 -8.984 1.00 0.00 C ATOM 196 CE1 HIS A 220 4.140 -13.112 -8.880 1.00 0.00 C ATOM 197 NE2 HIS A 220 3.221 -12.358 -9.456 1.00 0.00 N ATOM 0 H HIS A 220 4.610 -12.127 -5.339 1.00 0.00 H new ATOM 0 HA HIS A 220 5.097 -9.238 -5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.538 -9.002 -7.638 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.015 -9.922 -7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 220 2.728 -10.229 -9.268 1.00 0.00 H new ATOM 0 HE1 HIS A 220 4.292 -14.167 -9.055 1.00 0.00 H new ATOM 0 HE2 HIS A 220 2.536 -12.678 -10.140 1.00 0.00 H new ATOM 205 N GLU A 221 2.629 -8.856 -5.190 1.00 0.00 N ATOM 206 CA GLU A 221 1.204 -8.683 -4.931 1.00 0.00 C ATOM 207 C GLU A 221 0.567 -7.775 -5.979 1.00 0.00 C ATOM 208 O GLU A 221 1.144 -6.761 -6.368 1.00 0.00 O ATOM 209 CB GLU A 221 0.984 -8.100 -3.533 1.00 0.00 C ATOM 210 CG GLU A 221 1.037 -9.138 -2.425 1.00 0.00 C ATOM 211 CD GLU A 221 -0.180 -10.044 -2.416 1.00 0.00 C ATOM 212 OE1 GLU A 221 -1.307 -9.524 -2.550 1.00 0.00 O ATOM 213 OE2 GLU A 221 -0.003 -11.272 -2.273 1.00 0.00 O ATOM 0 H GLU A 221 3.185 -8.008 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 221 0.729 -9.662 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.741 -7.339 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 221 0.016 -7.600 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 221 1.936 -9.744 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 221 1.117 -8.633 -1.462 1.00 0.00 H new ATOM 220 N GLU A 222 -0.626 -8.149 -6.431 1.00 0.00 N ATOM 221 CA GLU A 222 -1.341 -7.370 -7.435 1.00 0.00 C ATOM 222 C GLU A 222 -2.842 -7.375 -7.160 1.00 0.00 C ATOM 223 O GLU A 222 -3.486 -8.423 -7.192 1.00 0.00 O ATOM 224 CB GLU A 222 -1.065 -7.923 -8.834 1.00 0.00 C ATOM 225 CG GLU A 222 -1.393 -6.947 -9.951 1.00 0.00 C ATOM 226 CD GLU A 222 -1.739 -7.643 -11.252 1.00 0.00 C ATOM 227 OE1 GLU A 222 -2.373 -8.718 -11.199 1.00 0.00 O ATOM 228 OE2 GLU A 222 -1.375 -7.115 -12.324 1.00 0.00 O ATOM 0 H GLU A 222 -1.117 -8.986 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.983 -6.342 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 222 -0.014 -8.202 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -1.647 -8.834 -8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -2.230 -6.319 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -0.541 -6.286 -10.112 1.00 0.00 H new ATOM 235 N PHE A 223 -3.392 -6.196 -6.890 1.00 0.00 N ATOM 236 CA PHE A 223 -4.817 -6.063 -6.609 1.00 0.00 C ATOM 237 C PHE A 223 -5.375 -4.781 -7.219 1.00 0.00 C ATOM 238 O PHE A 223 -4.734 -3.730 -7.178 1.00 0.00 O ATOM 239 CB PHE A 223 -5.062 -6.072 -5.099 1.00 0.00 C ATOM 240 CG PHE A 223 -4.197 -5.103 -4.345 1.00 0.00 C ATOM 241 CD1 PHE A 223 -2.940 -5.479 -3.899 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.641 -3.817 -4.081 1.00 0.00 C ATOM 243 CE1 PHE A 223 -2.141 -4.590 -3.205 1.00 0.00 C ATOM 244 CE2 PHE A 223 -3.846 -2.924 -3.389 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.595 -3.311 -2.949 1.00 0.00 C ATOM 0 H PHE A 223 -2.873 -5.319 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 223 -5.332 -6.912 -7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -6.109 -5.837 -4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.886 -7.077 -4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.581 -6.478 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.619 -3.510 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -1.163 -4.895 -2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -4.202 -1.924 -3.192 1.00 0.00 H new ATOM 0 HZ PHE A 223 -1.973 -2.615 -2.406 1.00 0.00 H new ATOM 255 N VAL A 224 -6.573 -4.875 -7.786 1.00 0.00 N ATOM 256 CA VAL A 224 -7.219 -3.724 -8.404 1.00 0.00 C ATOM 257 C VAL A 224 -8.096 -2.981 -7.402 1.00 0.00 C ATOM 258 O VAL A 224 -8.996 -3.564 -6.798 1.00 0.00 O ATOM 259 CB VAL A 224 -8.080 -4.144 -9.611 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.585 -2.920 -10.359 1.00 0.00 C ATOM 261 CG2 VAL A 224 -7.290 -5.057 -10.536 1.00 0.00 C ATOM 0 H VAL A 224 -7.116 -5.737 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.424 -3.062 -8.747 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.945 -4.697 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.191 -3.237 -11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.190 -2.308 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.737 -2.336 -10.716 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.913 -5.344 -11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.406 -4.532 -10.897 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.984 -5.950 -9.991 1.00 0.00 H new ATOM 271 N VAL A 225 -7.827 -1.691 -7.231 1.00 0.00 N ATOM 272 CA VAL A 225 -8.593 -0.867 -6.303 1.00 0.00 C ATOM 273 C VAL A 225 -9.432 0.165 -7.048 1.00 0.00 C ATOM 274 O VAL A 225 -8.959 0.803 -7.988 1.00 0.00 O ATOM 275 CB VAL A 225 -7.671 -0.139 -5.307 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.456 0.884 -4.501 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.984 -1.139 -4.389 1.00 0.00 C ATOM 0 H VAL A 225 -7.085 -1.194 -7.723 1.00 0.00 H new ATOM 0 HA VAL A 225 -9.252 -1.539 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.903 0.390 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.787 1.388 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -8.897 1.618 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -9.247 0.380 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -6.336 -0.608 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.736 -1.698 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.387 -1.829 -4.985 1.00 0.00 H new ATOM 287 N ARG A 226 -10.681 0.323 -6.622 1.00 0.00 N ATOM 288 CA ARG A 226 -11.588 1.277 -7.249 1.00 0.00 C ATOM 289 C ARG A 226 -10.969 2.671 -7.286 1.00 0.00 C ATOM 290 O ARG A 226 -10.277 3.078 -6.354 1.00 0.00 O ATOM 291 CB ARG A 226 -12.919 1.318 -6.496 1.00 0.00 C ATOM 292 CG ARG A 226 -13.882 0.214 -6.901 1.00 0.00 C ATOM 293 CD ARG A 226 -14.480 0.472 -8.274 1.00 0.00 C ATOM 294 NE ARG A 226 -15.433 -0.566 -8.660 1.00 0.00 N ATOM 295 CZ ARG A 226 -15.756 -0.834 -9.920 1.00 0.00 C ATOM 296 NH1 ARG A 226 -15.206 -0.145 -10.911 1.00 0.00 N ATOM 297 NH2 ARG A 226 -16.631 -1.794 -10.192 1.00 0.00 N ATOM 0 H ARG A 226 -11.088 -0.198 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.768 0.951 -8.273 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.724 1.244 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.394 2.284 -6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -13.360 -0.743 -6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -14.681 0.138 -6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -14.979 1.441 -8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -13.681 0.524 -9.014 1.00 0.00 H new ATOM 0 HE ARG A 226 -15.874 -1.115 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -14.533 0.593 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -15.456 -0.354 -11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -17.056 -2.327 -9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -16.879 -1.999 -11.160 1.00 0.00 H new ATOM 311 N GLU A 227 -11.222 3.397 -8.371 1.00 0.00 N ATOM 312 CA GLU A 227 -10.689 4.744 -8.530 1.00 0.00 C ATOM 313 C GLU A 227 -11.147 5.649 -7.390 1.00 0.00 C ATOM 314 O GLU A 227 -10.483 6.631 -7.056 1.00 0.00 O ATOM 315 CB GLU A 227 -11.126 5.335 -9.872 1.00 0.00 C ATOM 316 CG GLU A 227 -10.621 6.749 -10.108 1.00 0.00 C ATOM 317 CD GLU A 227 -11.508 7.535 -11.053 1.00 0.00 C ATOM 318 OE1 GLU A 227 -11.553 7.189 -12.252 1.00 0.00 O ATOM 319 OE2 GLU A 227 -12.158 8.497 -10.593 1.00 0.00 O ATOM 0 H GLU A 227 -11.793 3.074 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.601 4.681 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -10.769 4.692 -10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -12.215 5.334 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -10.559 7.273 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -9.611 6.707 -10.515 1.00 0.00 H new ATOM 326 N ASP A 228 -12.287 5.311 -6.796 1.00 0.00 N ATOM 327 CA ASP A 228 -12.835 6.092 -5.693 1.00 0.00 C ATOM 328 C ASP A 228 -12.128 5.755 -4.385 1.00 0.00 C ATOM 329 O ASP A 228 -11.791 6.644 -3.601 1.00 0.00 O ATOM 330 CB ASP A 228 -14.337 5.836 -5.556 1.00 0.00 C ATOM 331 CG ASP A 228 -15.152 6.620 -6.566 1.00 0.00 C ATOM 332 OD1 ASP A 228 -14.840 6.538 -7.773 1.00 0.00 O ATOM 333 OD2 ASP A 228 -16.103 7.314 -6.150 1.00 0.00 O ATOM 0 H ASP A 228 -12.849 4.502 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 228 -12.672 7.147 -5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -14.534 4.771 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -14.658 6.103 -4.549 1.00 0.00 H new ATOM 338 N LEU A 229 -11.906 4.466 -4.153 1.00 0.00 N ATOM 339 CA LEU A 229 -11.240 4.010 -2.938 1.00 0.00 C ATOM 340 C LEU A 229 -9.785 4.468 -2.911 1.00 0.00 C ATOM 341 O LEU A 229 -9.226 4.729 -1.846 1.00 0.00 O ATOM 342 CB LEU A 229 -11.308 2.485 -2.837 1.00 0.00 C ATOM 343 CG LEU A 229 -12.703 1.868 -2.934 1.00 0.00 C ATOM 344 CD1 LEU A 229 -12.609 0.373 -3.195 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.497 2.140 -1.664 1.00 0.00 C ATOM 0 H LEU A 229 -12.178 3.718 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 229 -11.756 4.448 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -10.689 2.061 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -10.864 2.184 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 229 -13.225 2.330 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -13.612 -0.049 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -12.080 0.200 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.067 -0.105 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.487 1.693 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.977 1.706 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.596 3.216 -1.520 1.00 0.00 H new ATOM 357 N MET A 230 -9.179 4.566 -4.089 1.00 0.00 N ATOM 358 CA MET A 230 -7.790 4.996 -4.200 1.00 0.00 C ATOM 359 C MET A 230 -7.472 6.077 -3.171 1.00 0.00 C ATOM 360 O MET A 230 -6.686 5.859 -2.250 1.00 0.00 O ATOM 361 CB MET A 230 -7.506 5.519 -5.610 1.00 0.00 C ATOM 362 CG MET A 230 -7.384 4.419 -6.652 1.00 0.00 C ATOM 363 SD MET A 230 -6.357 4.901 -8.053 1.00 0.00 S ATOM 364 CE MET A 230 -5.248 3.499 -8.158 1.00 0.00 C ATOM 0 H MET A 230 -9.627 4.354 -4.980 1.00 0.00 H new ATOM 0 HA MET A 230 -7.152 4.134 -4.005 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.305 6.200 -5.904 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.583 6.098 -5.595 1.00 0.00 H new ATOM 0 HG2 MET A 230 -6.962 3.528 -6.187 1.00 0.00 H new ATOM 0 HG3 MET A 230 -8.378 4.151 -7.010 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.596 3.615 -9.024 1.00 0.00 H new ATOM 0 HE2 MET A 230 -4.643 3.445 -7.253 1.00 0.00 H new ATOM 0 HE3 MET A 230 -5.829 2.583 -8.262 1.00 0.00 H new ATOM 374 N GLY A 231 -8.088 7.244 -3.336 1.00 0.00 N ATOM 375 CA GLY A 231 -7.856 8.341 -2.414 1.00 0.00 C ATOM 376 C GLY A 231 -7.632 7.866 -0.992 1.00 0.00 C ATOM 377 O GLY A 231 -6.565 8.088 -0.417 1.00 0.00 O ATOM 0 H GLY A 231 -8.743 7.449 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -6.988 8.912 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -8.710 9.018 -2.437 1.00 0.00 H new ATOM 381 N LEU A 232 -8.638 7.212 -0.423 1.00 0.00 N ATOM 382 CA LEU A 232 -8.546 6.706 0.942 1.00 0.00 C ATOM 383 C LEU A 232 -7.400 5.709 1.077 1.00 0.00 C ATOM 384 O LEU A 232 -6.425 5.961 1.785 1.00 0.00 O ATOM 385 CB LEU A 232 -9.863 6.044 1.352 1.00 0.00 C ATOM 386 CG LEU A 232 -11.022 6.992 1.665 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.329 6.222 1.767 1.00 0.00 C ATOM 388 CD2 LEU A 232 -10.750 7.759 2.951 1.00 0.00 C ATOM 0 H LEU A 232 -9.527 7.020 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.349 7.550 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.174 5.374 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -9.678 5.426 2.231 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.110 7.709 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.142 6.913 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.530 5.719 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.254 5.481 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -11.585 8.429 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -10.635 7.056 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -9.836 8.342 2.840 1.00 0.00 H new ATOM 400 N ALA A 233 -7.523 4.577 0.393 1.00 0.00 N ATOM 401 CA ALA A 233 -6.496 3.544 0.433 1.00 0.00 C ATOM 402 C ALA A 233 -5.101 4.158 0.469 1.00 0.00 C ATOM 403 O ALA A 233 -4.202 3.643 1.136 1.00 0.00 O ATOM 404 CB ALA A 233 -6.634 2.615 -0.765 1.00 0.00 C ATOM 0 H ALA A 233 -8.325 4.352 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.634 2.965 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.860 1.848 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.616 2.141 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.525 3.189 -1.685 1.00 0.00 H new ATOM 410 N ILE A 234 -4.926 5.261 -0.251 1.00 0.00 N ATOM 411 CA ILE A 234 -3.640 5.946 -0.299 1.00 0.00 C ATOM 412 C ILE A 234 -3.464 6.871 0.900 1.00 0.00 C ATOM 413 O ILE A 234 -2.362 7.016 1.429 1.00 0.00 O ATOM 414 CB ILE A 234 -3.487 6.766 -1.594 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.640 5.862 -2.818 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.141 7.475 -1.616 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.548 6.604 -4.133 1.00 0.00 C ATOM 0 H ILE A 234 -5.659 5.699 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 234 -2.871 5.174 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.273 7.520 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -2.869 5.092 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.602 5.352 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -2.048 8.050 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -2.069 8.146 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.340 6.737 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.665 5.900 -4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -4.336 7.355 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.576 7.092 -4.208 1.00 0.00 H new ATOM 429 N GLY A 235 -4.558 7.495 1.325 1.00 0.00 N ATOM 430 CA GLY A 235 -4.504 8.397 2.460 1.00 0.00 C ATOM 431 C GLY A 235 -4.367 9.847 2.042 1.00 0.00 C ATOM 432 O GLY A 235 -4.823 10.238 0.966 1.00 0.00 O ATOM 0 H GLY A 235 -5.481 7.392 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.408 8.278 3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -3.662 8.125 3.097 1.00 0.00 H new ATOM 436 N THR A 236 -3.739 10.651 2.895 1.00 0.00 N ATOM 437 CA THR A 236 -3.546 12.067 2.609 1.00 0.00 C ATOM 438 C THR A 236 -2.129 12.341 2.117 1.00 0.00 C ATOM 439 O THR A 236 -1.159 11.821 2.669 1.00 0.00 O ATOM 440 CB THR A 236 -3.822 12.933 3.853 1.00 0.00 C ATOM 441 OG1 THR A 236 -5.162 12.721 4.310 1.00 0.00 O ATOM 442 CG2 THR A 236 -3.614 14.408 3.542 1.00 0.00 C ATOM 0 H THR A 236 -3.356 10.345 3.789 1.00 0.00 H new ATOM 0 HA THR A 236 -4.256 12.331 1.826 1.00 0.00 H new ATOM 0 HB THR A 236 -3.122 12.640 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 236 -5.329 13.274 5.102 1.00 0.00 H new ATOM 0 HG21 THR A 236 -3.815 15.000 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 236 -2.585 14.571 3.222 1.00 0.00 H new ATOM 0 HG23 THR A 236 -4.294 14.711 2.746 1.00 0.00 H new ATOM 450 N HIS A 237 -2.017 13.161 1.077 1.00 0.00 N ATOM 451 CA HIS A 237 -0.718 13.505 0.512 1.00 0.00 C ATOM 452 C HIS A 237 0.164 12.267 0.383 1.00 0.00 C ATOM 453 O HIS A 237 1.319 12.268 0.806 1.00 0.00 O ATOM 454 CB HIS A 237 -0.021 14.553 1.380 1.00 0.00 C ATOM 455 CG HIS A 237 -0.335 15.963 0.985 1.00 0.00 C ATOM 456 ND1 HIS A 237 -1.620 16.423 0.793 1.00 0.00 N ATOM 457 CD2 HIS A 237 0.480 17.018 0.748 1.00 0.00 C ATOM 458 CE1 HIS A 237 -1.583 17.698 0.453 1.00 0.00 C ATOM 459 NE2 HIS A 237 -0.321 18.084 0.419 1.00 0.00 N ATOM 0 H HIS A 237 -2.810 13.599 0.609 1.00 0.00 H new ATOM 0 HA HIS A 237 -0.881 13.919 -0.483 1.00 0.00 H new ATOM 0 HB2 HIS A 237 -0.311 14.403 2.420 1.00 0.00 H new ATOM 0 HB3 HIS A 237 1.057 14.400 1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 237 1.558 17.021 0.807 1.00 0.00 H new ATOM 0 HE1 HIS A 237 -2.440 18.320 0.239 1.00 0.00 H new ATOM 0 HE2 HIS A 237 0.006 19.022 0.186 1.00 0.00 H new ATOM 467 N GLY A 238 -0.390 11.210 -0.205 1.00 0.00 N ATOM 468 CA GLY A 238 0.359 9.980 -0.378 1.00 0.00 C ATOM 469 C GLY A 238 0.973 9.487 0.918 1.00 0.00 C ATOM 470 O GLY A 238 2.195 9.456 1.061 1.00 0.00 O ATOM 0 H GLY A 238 -1.344 11.185 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.300 9.210 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.148 10.139 -1.113 1.00 0.00 H new ATOM 474 N SER A 239 0.123 9.103 1.865 1.00 0.00 N ATOM 475 CA SER A 239 0.589 8.615 3.158 1.00 0.00 C ATOM 476 C SER A 239 0.729 7.096 3.147 1.00 0.00 C ATOM 477 O SER A 239 1.831 6.562 3.260 1.00 0.00 O ATOM 478 CB SER A 239 -0.376 9.042 4.265 1.00 0.00 C ATOM 479 OG SER A 239 0.267 9.048 5.528 1.00 0.00 O ATOM 0 H SER A 239 -0.892 9.120 1.761 1.00 0.00 H new ATOM 0 HA SER A 239 1.569 9.051 3.352 1.00 0.00 H new ATOM 0 HB2 SER A 239 -0.767 10.036 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.228 8.363 4.291 1.00 0.00 H new ATOM 0 HG SER A 239 -0.371 9.326 6.218 1.00 0.00 H new ATOM 485 N ASN A 240 -0.399 6.405 3.009 1.00 0.00 N ATOM 486 CA ASN A 240 -0.404 4.947 2.984 1.00 0.00 C ATOM 487 C ASN A 240 0.729 4.414 2.112 1.00 0.00 C ATOM 488 O ASN A 240 1.634 3.736 2.598 1.00 0.00 O ATOM 489 CB ASN A 240 -1.747 4.430 2.466 1.00 0.00 C ATOM 490 CG ASN A 240 -2.900 4.802 3.379 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.099 5.973 3.701 1.00 0.00 O ATOM 492 ND2 ASN A 240 -3.667 3.803 3.800 1.00 0.00 N ATOM 0 H ASN A 240 -1.320 6.832 2.913 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.253 4.590 4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -1.930 4.835 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -1.702 3.346 2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -4.458 3.992 4.416 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.465 2.847 3.508 1.00 0.00 H new ATOM 499 N ILE A 241 0.673 4.727 0.822 1.00 0.00 N ATOM 500 CA ILE A 241 1.694 4.282 -0.118 1.00 0.00 C ATOM 501 C ILE A 241 3.085 4.361 0.504 1.00 0.00 C ATOM 502 O ILE A 241 3.836 3.387 0.492 1.00 0.00 O ATOM 503 CB ILE A 241 1.673 5.118 -1.411 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.416 4.806 -2.225 1.00 0.00 C ATOM 505 CG2 ILE A 241 2.925 4.851 -2.234 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.367 5.522 -3.557 1.00 0.00 C ATOM 0 H ILE A 241 -0.069 5.288 0.404 1.00 0.00 H new ATOM 0 HA ILE A 241 1.466 3.245 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 241 1.656 6.175 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.362 3.731 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.463 5.080 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 241 2.896 5.449 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.807 5.119 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 241 2.970 3.794 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.551 5.254 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.390 6.599 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.227 5.229 -4.159 1.00 0.00 H new ATOM 518 N GLN A 242 3.418 5.528 1.047 1.00 0.00 N ATOM 519 CA GLN A 242 4.718 5.734 1.674 1.00 0.00 C ATOM 520 C GLN A 242 4.982 4.675 2.739 1.00 0.00 C ATOM 521 O GLN A 242 6.031 4.031 2.740 1.00 0.00 O ATOM 522 CB GLN A 242 4.792 7.129 2.297 1.00 0.00 C ATOM 523 CG GLN A 242 5.317 8.193 1.346 1.00 0.00 C ATOM 524 CD GLN A 242 6.827 8.164 1.214 1.00 0.00 C ATOM 525 OE1 GLN A 242 7.462 7.134 1.443 1.00 0.00 O ATOM 526 NE2 GLN A 242 7.410 9.297 0.842 1.00 0.00 N ATOM 0 H GLN A 242 2.806 6.344 1.065 1.00 0.00 H new ATOM 0 HA GLN A 242 5.483 5.647 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.798 7.418 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 242 5.434 7.091 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 242 4.867 8.050 0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 242 5.006 9.176 1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 242 6.844 10.127 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 242 8.424 9.338 0.736 1.00 0.00 H new ATOM 535 N GLN A 243 4.025 4.501 3.644 1.00 0.00 N ATOM 536 CA GLN A 243 4.156 3.520 4.715 1.00 0.00 C ATOM 537 C GLN A 243 4.455 2.135 4.151 1.00 0.00 C ATOM 538 O GLN A 243 5.364 1.448 4.616 1.00 0.00 O ATOM 539 CB GLN A 243 2.878 3.477 5.555 1.00 0.00 C ATOM 540 CG GLN A 243 2.594 4.773 6.297 1.00 0.00 C ATOM 541 CD GLN A 243 3.621 5.067 7.373 1.00 0.00 C ATOM 542 OE1 GLN A 243 4.663 4.415 7.447 1.00 0.00 O ATOM 543 NE2 GLN A 243 3.332 6.053 8.214 1.00 0.00 N ATOM 0 H GLN A 243 3.151 5.026 3.657 1.00 0.00 H new ATOM 0 HA GLN A 243 4.989 3.821 5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 243 2.034 3.248 4.905 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.955 2.664 6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.573 5.598 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 243 1.604 4.718 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 243 2.457 6.567 8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 243 3.986 6.296 8.958 1.00 0.00 H new ATOM 552 N ALA A 244 3.683 1.730 3.148 1.00 0.00 N ATOM 553 CA ALA A 244 3.866 0.428 2.520 1.00 0.00 C ATOM 554 C ALA A 244 5.300 0.250 2.034 1.00 0.00 C ATOM 555 O ALA A 244 5.929 -0.777 2.290 1.00 0.00 O ATOM 556 CB ALA A 244 2.890 0.257 1.365 1.00 0.00 C ATOM 0 H ALA A 244 2.924 2.286 2.753 1.00 0.00 H new ATOM 0 HA ALA A 244 3.665 -0.340 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 244 3.038 -0.720 0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.868 0.332 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 244 3.063 1.037 0.624 1.00 0.00 H new ATOM 562 N ARG A 245 5.812 1.256 1.332 1.00 0.00 N ATOM 563 CA ARG A 245 7.172 1.208 0.809 1.00 0.00 C ATOM 564 C ARG A 245 8.191 1.203 1.944 1.00 0.00 C ATOM 565 O ARG A 245 9.282 0.647 1.812 1.00 0.00 O ATOM 566 CB ARG A 245 7.427 2.401 -0.115 1.00 0.00 C ATOM 567 CG ARG A 245 8.884 2.554 -0.522 1.00 0.00 C ATOM 568 CD ARG A 245 9.133 3.890 -1.206 1.00 0.00 C ATOM 569 NE ARG A 245 10.501 4.359 -1.006 1.00 0.00 N ATOM 570 CZ ARG A 245 10.864 5.633 -1.111 1.00 0.00 C ATOM 571 NH1 ARG A 245 9.964 6.559 -1.410 1.00 0.00 N ATOM 572 NH2 ARG A 245 12.129 5.982 -0.915 1.00 0.00 N ATOM 0 H ARG A 245 5.306 2.114 1.112 1.00 0.00 H new ATOM 0 HA ARG A 245 7.284 0.285 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 245 6.817 2.292 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 245 7.100 3.313 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 245 9.520 2.471 0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 245 9.163 1.742 -1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 245 8.935 3.793 -2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 245 8.435 4.632 -0.818 1.00 0.00 H new ATOM 0 HE ARG A 245 11.217 3.671 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 245 8.990 6.294 -1.560 1.00 0.00 H new ATOM 0 HH12 ARG A 245 10.245 7.536 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 245 12.824 5.272 -0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 245 12.407 6.960 -0.996 1.00 0.00 H new ATOM 586 N LYS A 246 7.829 1.826 3.061 1.00 0.00 N ATOM 587 CA LYS A 246 8.710 1.893 4.220 1.00 0.00 C ATOM 588 C LYS A 246 8.809 0.535 4.908 1.00 0.00 C ATOM 589 O LYS A 246 9.528 0.378 5.895 1.00 0.00 O ATOM 590 CB LYS A 246 8.203 2.942 5.212 1.00 0.00 C ATOM 591 CG LYS A 246 8.438 4.372 4.758 1.00 0.00 C ATOM 592 CD LYS A 246 7.980 5.373 5.805 1.00 0.00 C ATOM 593 CE LYS A 246 9.009 5.530 6.914 1.00 0.00 C ATOM 594 NZ LYS A 246 8.563 6.500 7.952 1.00 0.00 N ATOM 0 H LYS A 246 6.930 2.292 3.187 1.00 0.00 H new ATOM 0 HA LYS A 246 9.703 2.179 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 246 7.136 2.792 5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 246 8.695 2.789 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 246 9.498 4.519 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 246 7.904 4.551 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 246 7.802 6.339 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 246 7.031 5.047 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 246 9.193 4.561 7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 246 9.955 5.864 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 9.292 6.579 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 8.411 7.431 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 7.674 6.169 8.378 1.00 0.00 H new ATOM 608 N VAL A 247 8.083 -0.446 4.379 1.00 0.00 N ATOM 609 CA VAL A 247 8.092 -1.791 4.940 1.00 0.00 C ATOM 610 C VAL A 247 9.294 -2.586 4.443 1.00 0.00 C ATOM 611 O VAL A 247 9.668 -2.527 3.272 1.00 0.00 O ATOM 612 CB VAL A 247 6.803 -2.556 4.585 1.00 0.00 C ATOM 613 CG1 VAL A 247 6.869 -3.984 5.104 1.00 0.00 C ATOM 614 CG2 VAL A 247 5.585 -1.833 5.141 1.00 0.00 C ATOM 0 H VAL A 247 7.482 -0.333 3.563 1.00 0.00 H new ATOM 0 HA VAL A 247 8.155 -1.681 6.023 1.00 0.00 H new ATOM 0 HB VAL A 247 6.711 -2.594 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.950 -4.509 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 247 7.719 -4.496 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 247 6.986 -3.972 6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 247 4.683 -2.387 4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 247 5.668 -1.762 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 247 5.531 -0.831 4.715 1.00 0.00 H new ATOM 624 N PRO A 248 9.916 -3.350 5.354 1.00 0.00 N ATOM 625 CA PRO A 248 11.085 -4.173 5.031 1.00 0.00 C ATOM 626 C PRO A 248 10.732 -5.356 4.136 1.00 0.00 C ATOM 627 O PRO A 248 9.630 -5.897 4.212 1.00 0.00 O ATOM 628 CB PRO A 248 11.563 -4.663 6.401 1.00 0.00 C ATOM 629 CG PRO A 248 10.347 -4.628 7.261 1.00 0.00 C ATOM 630 CD PRO A 248 9.525 -3.470 6.768 1.00 0.00 C ATOM 0 HA PRO A 248 11.838 -3.612 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 248 11.976 -5.670 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 248 12.348 -4.021 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 248 9.790 -5.562 7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 248 10.614 -4.498 8.310 1.00 0.00 H new ATOM 0 HD2 PRO A 248 8.457 -3.661 6.875 1.00 0.00 H new ATOM 0 HD3 PRO A 248 9.742 -2.558 7.324 1.00 0.00 H new ATOM 638 N GLY A 249 11.676 -5.754 3.289 1.00 0.00 N ATOM 639 CA GLY A 249 11.445 -6.871 2.391 1.00 0.00 C ATOM 640 C GLY A 249 10.839 -6.438 1.071 1.00 0.00 C ATOM 641 O GLY A 249 11.019 -7.102 0.050 1.00 0.00 O ATOM 0 H GLY A 249 12.597 -5.323 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 249 12.389 -7.383 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.782 -7.590 2.873 1.00 0.00 H new ATOM 645 N VAL A 250 10.118 -5.322 1.090 1.00 0.00 N ATOM 646 CA VAL A 250 9.482 -4.802 -0.114 1.00 0.00 C ATOM 647 C VAL A 250 10.508 -4.168 -1.047 1.00 0.00 C ATOM 648 O VAL A 250 11.003 -3.069 -0.791 1.00 0.00 O ATOM 649 CB VAL A 250 8.402 -3.758 0.227 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.798 -3.179 -1.043 1.00 0.00 C ATOM 651 CG2 VAL A 250 7.324 -4.376 1.105 1.00 0.00 C ATOM 0 H VAL A 250 9.960 -4.760 1.927 1.00 0.00 H new ATOM 0 HA VAL A 250 9.013 -5.649 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 250 8.870 -2.945 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 250 7.037 -2.444 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.580 -2.699 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.344 -3.979 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.569 -3.625 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.858 -5.208 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.772 -4.738 2.031 1.00 0.00 H new ATOM 661 N THR A 251 10.825 -4.867 -2.132 1.00 0.00 N ATOM 662 CA THR A 251 11.793 -4.374 -3.104 1.00 0.00 C ATOM 663 C THR A 251 11.337 -3.053 -3.712 1.00 0.00 C ATOM 664 O THR A 251 12.099 -2.088 -3.767 1.00 0.00 O ATOM 665 CB THR A 251 12.024 -5.395 -4.234 1.00 0.00 C ATOM 666 OG1 THR A 251 10.770 -5.790 -4.801 1.00 0.00 O ATOM 667 CG2 THR A 251 12.761 -6.620 -3.715 1.00 0.00 C ATOM 0 H THR A 251 10.425 -5.777 -2.360 1.00 0.00 H new ATOM 0 HA THR A 251 12.729 -4.219 -2.568 1.00 0.00 H new ATOM 0 HB THR A 251 12.636 -4.922 -5.002 1.00 0.00 H new ATOM 0 HG1 THR A 251 10.823 -5.740 -5.778 1.00 0.00 H new ATOM 0 HG21 THR A 251 12.912 -7.326 -4.531 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.728 -6.319 -3.311 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.172 -7.094 -2.930 1.00 0.00 H new ATOM 675 N ALA A 252 10.089 -3.017 -4.168 1.00 0.00 N ATOM 676 CA ALA A 252 9.531 -1.812 -4.770 1.00 0.00 C ATOM 677 C ALA A 252 8.007 -1.851 -4.764 1.00 0.00 C ATOM 678 O ALA A 252 7.404 -2.911 -4.590 1.00 0.00 O ATOM 679 CB ALA A 252 10.051 -1.643 -6.190 1.00 0.00 C ATOM 0 H ALA A 252 9.446 -3.808 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 252 9.849 -0.957 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.627 -0.740 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.138 -1.562 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.762 -2.507 -6.789 1.00 0.00 H new ATOM 685 N ILE A 253 7.389 -0.690 -4.954 1.00 0.00 N ATOM 686 CA ILE A 253 5.935 -0.593 -4.970 1.00 0.00 C ATOM 687 C ILE A 253 5.454 0.252 -6.144 1.00 0.00 C ATOM 688 O ILE A 253 5.585 1.476 -6.136 1.00 0.00 O ATOM 689 CB ILE A 253 5.397 0.014 -3.661 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.642 -0.941 -2.491 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.914 0.328 -3.793 1.00 0.00 C ATOM 692 CD1 ILE A 253 4.994 -0.494 -1.199 1.00 0.00 C ATOM 0 H ILE A 253 7.873 0.196 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 253 5.552 -1.608 -5.075 1.00 0.00 H new ATOM 0 HB ILE A 253 5.930 0.944 -3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.265 -1.929 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.716 -1.041 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.548 0.756 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.764 1.042 -4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.366 -0.589 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.210 -1.219 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.389 0.480 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 253 3.915 -0.421 -1.339 1.00 0.00 H new ATOM 704 N GLU A 254 4.894 -0.410 -7.152 1.00 0.00 N ATOM 705 CA GLU A 254 4.392 0.282 -8.334 1.00 0.00 C ATOM 706 C GLU A 254 2.866 0.288 -8.354 1.00 0.00 C ATOM 707 O GLU A 254 2.222 -0.572 -7.750 1.00 0.00 O ATOM 708 CB GLU A 254 4.926 -0.381 -9.605 1.00 0.00 C ATOM 709 CG GLU A 254 6.391 -0.081 -9.878 1.00 0.00 C ATOM 710 CD GLU A 254 6.758 1.359 -9.577 1.00 0.00 C ATOM 711 OE1 GLU A 254 6.425 2.240 -10.396 1.00 0.00 O ATOM 712 OE2 GLU A 254 7.379 1.604 -8.521 1.00 0.00 O ATOM 0 H GLU A 254 4.777 -1.423 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 254 4.742 1.314 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 254 4.793 -1.460 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.331 -0.049 -10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 254 7.012 -0.744 -9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 254 6.614 -0.298 -10.923 1.00 0.00 H new ATOM 719 N LEU A 255 2.293 1.263 -9.050 1.00 0.00 N ATOM 720 CA LEU A 255 0.842 1.382 -9.149 1.00 0.00 C ATOM 721 C LEU A 255 0.426 1.823 -10.549 1.00 0.00 C ATOM 722 O LEU A 255 1.168 2.525 -11.236 1.00 0.00 O ATOM 723 CB LEU A 255 0.321 2.379 -8.112 1.00 0.00 C ATOM 724 CG LEU A 255 -1.023 3.035 -8.429 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.165 2.064 -8.169 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.203 4.304 -7.609 1.00 0.00 C ATOM 0 H LEU A 255 2.810 1.983 -9.554 1.00 0.00 H new ATOM 0 HA LEU A 255 0.407 0.402 -8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.235 1.865 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 255 1.066 3.165 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 255 -1.035 3.304 -9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -3.114 2.548 -8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -2.044 1.183 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.156 1.764 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.165 4.758 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.171 4.059 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.403 5.006 -7.844 1.00 0.00 H new ATOM 738 N ASP A 256 -0.765 1.407 -10.964 1.00 0.00 N ATOM 739 CA ASP A 256 -1.282 1.761 -12.281 1.00 0.00 C ATOM 740 C ASP A 256 -2.416 2.775 -12.165 1.00 0.00 C ATOM 741 O ASP A 256 -3.239 2.698 -11.254 1.00 0.00 O ATOM 742 CB ASP A 256 -1.772 0.511 -13.013 1.00 0.00 C ATOM 743 CG ASP A 256 -1.845 0.710 -14.515 1.00 0.00 C ATOM 744 OD1 ASP A 256 -2.662 1.540 -14.964 1.00 0.00 O ATOM 745 OD2 ASP A 256 -1.084 0.035 -15.240 1.00 0.00 O ATOM 0 H ASP A 256 -1.391 0.824 -10.408 1.00 0.00 H new ATOM 0 HA ASP A 256 -0.472 2.213 -12.853 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -1.104 -0.321 -12.792 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -2.758 0.237 -12.638 1.00 0.00 H new ATOM 750 N GLU A 257 -2.450 3.725 -13.094 1.00 0.00 N ATOM 751 CA GLU A 257 -3.482 4.756 -13.094 1.00 0.00 C ATOM 752 C GLU A 257 -4.535 4.472 -14.161 1.00 0.00 C ATOM 753 O GLU A 257 -5.653 4.983 -14.097 1.00 0.00 O ATOM 754 CB GLU A 257 -2.859 6.133 -13.331 1.00 0.00 C ATOM 755 CG GLU A 257 -2.145 6.696 -12.113 1.00 0.00 C ATOM 756 CD GLU A 257 -1.969 8.200 -12.184 1.00 0.00 C ATOM 757 OE1 GLU A 257 -1.067 8.658 -12.917 1.00 0.00 O ATOM 758 OE2 GLU A 257 -2.732 8.920 -11.507 1.00 0.00 O ATOM 0 H GLU A 257 -1.776 3.802 -13.856 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.967 4.748 -12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -2.151 6.065 -14.157 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.641 6.828 -13.637 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -2.709 6.442 -11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.167 6.223 -12.019 1.00 0.00 H new ATOM 765 N ASP A 258 -4.169 3.654 -15.142 1.00 0.00 N ATOM 766 CA ASP A 258 -5.081 3.300 -16.223 1.00 0.00 C ATOM 767 C ASP A 258 -6.104 2.270 -15.756 1.00 0.00 C ATOM 768 O ASP A 258 -7.266 2.303 -16.164 1.00 0.00 O ATOM 769 CB ASP A 258 -4.300 2.756 -17.420 1.00 0.00 C ATOM 770 CG ASP A 258 -4.977 3.062 -18.742 1.00 0.00 C ATOM 771 OD1 ASP A 258 -6.081 2.528 -18.980 1.00 0.00 O ATOM 772 OD2 ASP A 258 -4.405 3.836 -19.536 1.00 0.00 O ATOM 0 H ASP A 258 -3.247 3.224 -15.211 1.00 0.00 H new ATOM 0 HA ASP A 258 -5.613 4.202 -16.526 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -3.298 3.184 -17.421 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -4.185 1.677 -17.315 1.00 0.00 H new ATOM 777 N THR A 259 -5.665 1.353 -14.900 1.00 0.00 N ATOM 778 CA THR A 259 -6.541 0.311 -14.379 1.00 0.00 C ATOM 779 C THR A 259 -6.739 0.460 -12.875 1.00 0.00 C ATOM 780 O THR A 259 -7.725 -0.021 -12.318 1.00 0.00 O ATOM 781 CB THR A 259 -5.981 -1.093 -14.675 1.00 0.00 C ATOM 782 OG1 THR A 259 -5.061 -1.480 -13.648 1.00 0.00 O ATOM 783 CG2 THR A 259 -5.283 -1.124 -16.026 1.00 0.00 C ATOM 0 H THR A 259 -4.707 1.311 -14.552 1.00 0.00 H new ATOM 0 HA THR A 259 -7.501 0.425 -14.882 1.00 0.00 H new ATOM 0 HB THR A 259 -6.815 -1.795 -14.699 1.00 0.00 H new ATOM 0 HG1 THR A 259 -4.592 -2.297 -13.919 1.00 0.00 H new ATOM 0 HG21 THR A 259 -4.896 -2.126 -16.213 1.00 0.00 H new ATOM 0 HG22 THR A 259 -5.993 -0.858 -16.809 1.00 0.00 H new ATOM 0 HG23 THR A 259 -4.459 -0.411 -16.026 1.00 0.00 H new ATOM 791 N GLY A 260 -5.795 1.132 -12.222 1.00 0.00 N ATOM 792 CA GLY A 260 -5.886 1.333 -10.787 1.00 0.00 C ATOM 793 C GLY A 260 -5.496 0.096 -10.003 1.00 0.00 C ATOM 794 O GLY A 260 -6.198 -0.306 -9.074 1.00 0.00 O ATOM 0 H GLY A 260 -4.970 1.540 -12.661 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.240 2.162 -10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.905 1.618 -10.527 1.00 0.00 H new ATOM 798 N THR A 261 -4.375 -0.512 -10.377 1.00 0.00 N ATOM 799 CA THR A 261 -3.894 -1.712 -9.704 1.00 0.00 C ATOM 800 C THR A 261 -2.596 -1.440 -8.954 1.00 0.00 C ATOM 801 O THR A 261 -1.689 -0.792 -9.478 1.00 0.00 O ATOM 802 CB THR A 261 -3.666 -2.863 -10.703 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.862 -3.106 -11.452 1.00 0.00 O ATOM 804 CG2 THR A 261 -3.248 -4.133 -9.978 1.00 0.00 C ATOM 0 H THR A 261 -3.782 -0.193 -11.143 1.00 0.00 H new ATOM 0 HA THR A 261 -4.666 -2.006 -8.992 1.00 0.00 H new ATOM 0 HB THR A 261 -2.866 -2.572 -11.383 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.965 -2.413 -12.137 1.00 0.00 H new ATOM 0 HG21 THR A 261 -3.093 -4.932 -10.703 1.00 0.00 H new ATOM 0 HG22 THR A 261 -2.321 -3.953 -9.433 1.00 0.00 H new ATOM 0 HG23 THR A 261 -4.030 -4.426 -9.277 1.00 0.00 H new ATOM 812 N PHE A 262 -2.511 -1.938 -7.725 1.00 0.00 N ATOM 813 CA PHE A 262 -1.322 -1.748 -6.903 1.00 0.00 C ATOM 814 C PHE A 262 -0.422 -2.978 -6.956 1.00 0.00 C ATOM 815 O PHE A 262 -0.805 -4.061 -6.513 1.00 0.00 O ATOM 816 CB PHE A 262 -1.720 -1.455 -5.455 1.00 0.00 C ATOM 817 CG PHE A 262 -1.931 0.005 -5.175 1.00 0.00 C ATOM 818 CD1 PHE A 262 -0.852 0.870 -5.082 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.209 0.514 -5.005 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.044 2.214 -4.824 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.407 1.857 -4.747 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.323 2.708 -4.657 1.00 0.00 C ATOM 0 H PHE A 262 -3.252 -2.477 -7.276 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.768 -0.897 -7.300 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.636 -1.998 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -0.945 -1.836 -4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 262 0.150 0.489 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.060 -0.147 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.195 2.877 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.408 2.241 -4.616 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.475 3.758 -4.456 1.00 0.00 H new ATOM 832 N ARG A 263 0.777 -2.804 -7.503 1.00 0.00 N ATOM 833 CA ARG A 263 1.732 -3.899 -7.616 1.00 0.00 C ATOM 834 C ARG A 263 2.859 -3.746 -6.599 1.00 0.00 C ATOM 835 O ARG A 263 3.648 -2.804 -6.669 1.00 0.00 O ATOM 836 CB ARG A 263 2.312 -3.954 -9.031 1.00 0.00 C ATOM 837 CG ARG A 263 1.502 -4.812 -9.989 1.00 0.00 C ATOM 838 CD ARG A 263 1.900 -4.560 -11.435 1.00 0.00 C ATOM 839 NE ARG A 263 1.425 -5.615 -12.325 1.00 0.00 N ATOM 840 CZ ARG A 263 1.951 -5.862 -13.519 1.00 0.00 C ATOM 841 NH1 ARG A 263 2.966 -5.133 -13.964 1.00 0.00 N ATOM 842 NH2 ARG A 263 1.464 -6.840 -14.272 1.00 0.00 N ATOM 0 H ARG A 263 1.110 -1.914 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 263 1.204 -4.830 -7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.375 -2.941 -9.428 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.330 -4.341 -8.982 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.648 -5.865 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.441 -4.600 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 263 1.495 -3.602 -11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 263 2.985 -4.488 -11.505 1.00 0.00 H new ATOM 0 HE ARG A 263 0.646 -6.195 -12.012 1.00 0.00 H new ATOM 0 HH11 ARG A 263 3.344 -4.381 -13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 263 3.368 -5.325 -14.882 1.00 0.00 H new ATOM 0 HH21 ARG A 263 0.684 -7.404 -13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 263 1.870 -7.028 -15.189 1.00 0.00 H new ATOM 856 N ILE A 264 2.926 -4.678 -5.654 1.00 0.00 N ATOM 857 CA ILE A 264 3.956 -4.647 -4.623 1.00 0.00 C ATOM 858 C ILE A 264 4.979 -5.758 -4.834 1.00 0.00 C ATOM 859 O ILE A 264 4.619 -6.916 -5.048 1.00 0.00 O ATOM 860 CB ILE A 264 3.347 -4.786 -3.215 1.00 0.00 C ATOM 861 CG1 ILE A 264 2.189 -3.802 -3.037 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.412 -4.558 -2.152 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.502 -3.914 -1.694 1.00 0.00 C ATOM 0 H ILE A 264 2.279 -5.464 -5.581 1.00 0.00 H new ATOM 0 HA ILE A 264 4.452 -3.680 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 264 2.959 -5.798 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.564 -2.786 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.456 -3.969 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.966 -4.660 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.207 -5.295 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.827 -3.556 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.692 -3.187 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 264 1.097 -4.919 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 264 2.222 -3.717 -0.900 1.00 0.00 H new ATOM 875 N TYR A 265 6.256 -5.398 -4.770 1.00 0.00 N ATOM 876 CA TYR A 265 7.333 -6.363 -4.955 1.00 0.00 C ATOM 877 C TYR A 265 8.087 -6.595 -3.649 1.00 0.00 C ATOM 878 O TYR A 265 8.556 -5.651 -3.014 1.00 0.00 O ATOM 879 CB TYR A 265 8.300 -5.880 -6.037 1.00 0.00 C ATOM 880 CG TYR A 265 7.631 -5.586 -7.360 1.00 0.00 C ATOM 881 CD1 TYR A 265 6.997 -4.370 -7.585 1.00 0.00 C ATOM 882 CD2 TYR A 265 7.631 -6.524 -8.385 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.383 -4.097 -8.792 1.00 0.00 C ATOM 884 CE2 TYR A 265 7.021 -6.259 -9.596 1.00 0.00 C ATOM 885 CZ TYR A 265 6.398 -5.044 -9.795 1.00 0.00 C ATOM 886 OH TYR A 265 5.789 -4.777 -10.999 1.00 0.00 O ATOM 0 H TYR A 265 6.571 -4.444 -4.591 1.00 0.00 H new ATOM 0 HA TYR A 265 6.889 -7.308 -5.270 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.804 -4.979 -5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.069 -6.637 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 265 6.984 -3.626 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 265 8.116 -7.477 -8.232 1.00 0.00 H new ATOM 0 HE1 TYR A 265 5.894 -3.147 -8.950 1.00 0.00 H new ATOM 0 HE2 TYR A 265 7.032 -6.999 -10.383 1.00 0.00 H new ATOM 0 HH TYR A 265 5.892 -5.548 -11.596 1.00 0.00 H new ATOM 896 N GLY A 266 8.200 -7.860 -3.255 1.00 0.00 N ATOM 897 CA GLY A 266 8.898 -8.194 -2.027 1.00 0.00 C ATOM 898 C GLY A 266 9.606 -9.532 -2.109 1.00 0.00 C ATOM 899 O GLY A 266 9.104 -10.469 -2.729 1.00 0.00 O ATOM 0 H GLY A 266 7.821 -8.659 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.626 -7.414 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 266 8.186 -8.213 -1.202 1.00 0.00 H new ATOM 903 N GLU A 267 10.776 -9.620 -1.484 1.00 0.00 N ATOM 904 CA GLU A 267 11.554 -10.853 -1.492 1.00 0.00 C ATOM 905 C GLU A 267 10.769 -11.997 -0.856 1.00 0.00 C ATOM 906 O GLU A 267 10.881 -13.149 -1.275 1.00 0.00 O ATOM 907 CB GLU A 267 12.876 -10.652 -0.748 1.00 0.00 C ATOM 908 CG GLU A 267 13.786 -9.620 -1.392 1.00 0.00 C ATOM 909 CD GLU A 267 14.847 -9.102 -0.440 1.00 0.00 C ATOM 910 OE1 GLU A 267 14.501 -8.791 0.720 1.00 0.00 O ATOM 911 OE2 GLU A 267 16.021 -9.008 -0.853 1.00 0.00 O ATOM 0 H GLU A 267 11.205 -8.853 -0.966 1.00 0.00 H new ATOM 0 HA GLU A 267 11.764 -11.113 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.664 -10.348 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 267 13.402 -11.605 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 267 14.270 -10.061 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.185 -8.784 -1.750 1.00 0.00 H new ATOM 918 N SER A 268 9.975 -11.669 0.159 1.00 0.00 N ATOM 919 CA SER A 268 9.174 -12.668 0.856 1.00 0.00 C ATOM 920 C SER A 268 7.739 -12.183 1.040 1.00 0.00 C ATOM 921 O SER A 268 7.505 -11.060 1.484 1.00 0.00 O ATOM 922 CB SER A 268 9.794 -12.991 2.217 1.00 0.00 C ATOM 923 OG SER A 268 10.913 -13.848 2.078 1.00 0.00 O ATOM 0 H SER A 268 9.870 -10.720 0.516 1.00 0.00 H new ATOM 0 HA SER A 268 9.158 -13.573 0.248 1.00 0.00 H new ATOM 0 HB2 SER A 268 10.098 -12.068 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 268 9.048 -13.463 2.857 1.00 0.00 H new ATOM 0 HG SER A 268 11.292 -14.038 2.962 1.00 0.00 H new ATOM 929 N ALA A 269 6.783 -13.039 0.694 1.00 0.00 N ATOM 930 CA ALA A 269 5.371 -12.699 0.823 1.00 0.00 C ATOM 931 C ALA A 269 5.104 -11.946 2.121 1.00 0.00 C ATOM 932 O ALA A 269 4.299 -11.015 2.156 1.00 0.00 O ATOM 933 CB ALA A 269 4.518 -13.957 0.754 1.00 0.00 C ATOM 0 H ALA A 269 6.960 -13.972 0.323 1.00 0.00 H new ATOM 0 HA ALA A 269 5.102 -12.045 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.466 -13.689 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.679 -14.454 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.797 -14.631 1.564 1.00 0.00 H new ATOM 939 N ASP A 270 5.782 -12.355 3.188 1.00 0.00 N ATOM 940 CA ASP A 270 5.618 -11.719 4.489 1.00 0.00 C ATOM 941 C ASP A 270 5.758 -10.204 4.375 1.00 0.00 C ATOM 942 O ASP A 270 4.985 -9.453 4.969 1.00 0.00 O ATOM 943 CB ASP A 270 6.646 -12.265 5.482 1.00 0.00 C ATOM 944 CG ASP A 270 6.347 -13.692 5.897 1.00 0.00 C ATOM 945 OD1 ASP A 270 6.185 -14.548 5.003 1.00 0.00 O ATOM 946 OD2 ASP A 270 6.275 -13.952 7.117 1.00 0.00 O ATOM 0 H ASP A 270 6.451 -13.125 3.177 1.00 0.00 H new ATOM 0 HA ASP A 270 4.616 -11.947 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 270 7.639 -12.220 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 270 6.666 -11.629 6.367 1.00 0.00 H new ATOM 951 N ALA A 271 6.749 -9.763 3.608 1.00 0.00 N ATOM 952 CA ALA A 271 6.990 -8.338 3.415 1.00 0.00 C ATOM 953 C ALA A 271 5.840 -7.685 2.657 1.00 0.00 C ATOM 954 O ALA A 271 5.090 -6.884 3.216 1.00 0.00 O ATOM 955 CB ALA A 271 8.303 -8.120 2.677 1.00 0.00 C ATOM 0 H ALA A 271 7.398 -10.372 3.110 1.00 0.00 H new ATOM 0 HA ALA A 271 7.056 -7.869 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 271 8.470 -7.052 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 271 9.122 -8.544 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 271 8.259 -8.608 1.703 1.00 0.00 H new ATOM 961 N VAL A 272 5.705 -8.031 1.381 1.00 0.00 N ATOM 962 CA VAL A 272 4.646 -7.478 0.546 1.00 0.00 C ATOM 963 C VAL A 272 3.291 -7.581 1.238 1.00 0.00 C ATOM 964 O VAL A 272 2.410 -6.747 1.029 1.00 0.00 O ATOM 965 CB VAL A 272 4.571 -8.196 -0.815 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.593 -7.618 -1.781 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.778 -9.693 -0.639 1.00 0.00 C ATOM 0 H VAL A 272 6.317 -8.692 0.903 1.00 0.00 H new ATOM 0 HA VAL A 272 4.888 -6.428 0.381 1.00 0.00 H new ATOM 0 HB VAL A 272 3.578 -8.036 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.525 -8.138 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.393 -6.557 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.594 -7.744 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.722 -10.185 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.757 -9.875 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 272 4.003 -10.093 0.015 1.00 0.00 H new ATOM 977 N LYS A 273 3.131 -8.610 2.064 1.00 0.00 N ATOM 978 CA LYS A 273 1.884 -8.822 2.789 1.00 0.00 C ATOM 979 C LYS A 273 1.669 -7.731 3.833 1.00 0.00 C ATOM 980 O LYS A 273 0.618 -7.092 3.870 1.00 0.00 O ATOM 981 CB LYS A 273 1.892 -10.195 3.466 1.00 0.00 C ATOM 982 CG LYS A 273 1.375 -11.314 2.578 1.00 0.00 C ATOM 983 CD LYS A 273 1.157 -12.595 3.365 1.00 0.00 C ATOM 984 CE LYS A 273 0.430 -13.642 2.535 1.00 0.00 C ATOM 985 NZ LYS A 273 1.377 -14.504 1.775 1.00 0.00 N ATOM 0 H LYS A 273 3.850 -9.310 2.248 1.00 0.00 H new ATOM 0 HA LYS A 273 1.064 -8.781 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.909 -10.431 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 273 1.284 -10.149 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 273 0.438 -11.007 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 273 2.085 -11.498 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 273 2.119 -12.991 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 273 0.581 -12.377 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -0.181 -14.263 3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -0.248 -13.147 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 0.977 -15.459 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 1.534 -14.098 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 2.283 -14.557 2.284 1.00 0.00 H new ATOM 999 N LYS A 274 2.673 -7.521 4.678 1.00 0.00 N ATOM 1000 CA LYS A 274 2.595 -6.505 5.721 1.00 0.00 C ATOM 1001 C LYS A 274 2.308 -5.132 5.122 1.00 0.00 C ATOM 1002 O LYS A 274 1.516 -4.361 5.664 1.00 0.00 O ATOM 1003 CB LYS A 274 3.901 -6.462 6.518 1.00 0.00 C ATOM 1004 CG LYS A 274 3.764 -5.791 7.874 1.00 0.00 C ATOM 1005 CD LYS A 274 5.116 -5.375 8.429 1.00 0.00 C ATOM 1006 CE LYS A 274 4.973 -4.650 9.759 1.00 0.00 C ATOM 1007 NZ LYS A 274 6.232 -3.956 10.150 1.00 0.00 N ATOM 0 H LYS A 274 3.550 -8.041 4.661 1.00 0.00 H new ATOM 0 HA LYS A 274 1.776 -6.769 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 274 4.264 -7.480 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 274 4.655 -5.934 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 274 3.121 -4.915 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 274 3.278 -6.473 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 274 5.744 -6.256 8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 274 5.621 -4.727 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 274 4.163 -3.923 9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 274 4.696 -5.364 10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 6.094 -3.474 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 6.999 -4.653 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 6.483 -3.256 9.423 1.00 0.00 H new ATOM 1021 N ALA A 275 2.956 -4.833 4.001 1.00 0.00 N ATOM 1022 CA ALA A 275 2.767 -3.554 3.327 1.00 0.00 C ATOM 1023 C ALA A 275 1.415 -3.499 2.624 1.00 0.00 C ATOM 1024 O ALA A 275 0.725 -2.480 2.665 1.00 0.00 O ATOM 1025 CB ALA A 275 3.892 -3.310 2.333 1.00 0.00 C ATOM 0 H ALA A 275 3.617 -5.459 3.540 1.00 0.00 H new ATOM 0 HA ALA A 275 2.787 -2.767 4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.738 -2.352 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.846 -3.297 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.899 -4.106 1.589 1.00 0.00 H new ATOM 1031 N ARG A 276 1.044 -4.599 1.978 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.224 -4.675 1.263 1.00 0.00 C ATOM 1033 C ARG A 276 -1.377 -4.216 2.152 1.00 0.00 C ATOM 1034 O ARG A 276 -2.290 -3.529 1.696 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.477 -6.104 0.779 1.00 0.00 C ATOM 1036 CG ARG A 276 -1.847 -6.301 0.151 1.00 0.00 C ATOM 1037 CD ARG A 276 -1.939 -7.632 -0.579 1.00 0.00 C ATOM 1038 NE ARG A 276 -1.962 -8.762 0.345 1.00 0.00 N ATOM 1039 CZ ARG A 276 -3.067 -9.211 0.930 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -4.233 -8.628 0.688 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -3.007 -10.245 1.760 1.00 0.00 N ATOM 0 H ARG A 276 1.604 -5.451 1.935 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.166 -4.012 0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 276 0.289 -6.373 0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.371 -6.788 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -2.613 -6.256 0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.049 -5.488 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -2.840 -7.647 -1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -1.090 -7.734 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 276 -1.081 -9.233 0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -4.283 -7.833 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -5.080 -8.975 1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -2.112 -10.696 1.949 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -3.856 -10.589 2.209 1.00 0.00 H new ATOM 1055 N GLY A 277 -1.328 -4.602 3.423 1.00 0.00 N ATOM 1056 CA GLY A 277 -2.373 -4.221 4.355 1.00 0.00 C ATOM 1057 C GLY A 277 -2.606 -2.724 4.386 1.00 0.00 C ATOM 1058 O GLY A 277 -3.683 -2.263 4.763 1.00 0.00 O ATOM 0 H GLY A 277 -0.583 -5.172 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -3.300 -4.724 4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -2.107 -4.565 5.355 1.00 0.00 H new ATOM 1062 N PHE A 278 -1.592 -1.961 3.990 1.00 0.00 N ATOM 1063 CA PHE A 278 -1.690 -0.506 3.976 1.00 0.00 C ATOM 1064 C PHE A 278 -2.393 -0.020 2.712 1.00 0.00 C ATOM 1065 O PHE A 278 -3.155 0.947 2.745 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.297 0.121 4.071 1.00 0.00 C ATOM 1067 CG PHE A 278 0.327 -0.010 5.431 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -0.366 0.378 6.567 1.00 0.00 C ATOM 1069 CD2 PHE A 278 1.607 -0.520 5.574 1.00 0.00 C ATOM 1070 CE1 PHE A 278 0.207 0.260 7.819 1.00 0.00 C ATOM 1071 CE2 PHE A 278 2.185 -0.641 6.824 1.00 0.00 C ATOM 1072 CZ PHE A 278 1.483 -0.252 7.948 1.00 0.00 C ATOM 0 H PHE A 278 -0.693 -2.326 3.675 1.00 0.00 H new ATOM 0 HA PHE A 278 -2.280 -0.198 4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 278 0.355 -0.348 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.364 1.177 3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -1.365 0.777 6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 278 2.160 -0.827 4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -0.343 0.568 8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 278 3.184 -1.039 6.921 1.00 0.00 H new ATOM 0 HZ PHE A 278 1.931 -0.348 8.926 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.132 -0.697 1.600 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.739 -0.335 0.324 1.00 0.00 C ATOM 1084 C LEU A 279 -4.047 -1.091 0.109 1.00 0.00 C ATOM 1085 O LEU A 279 -4.554 -1.168 -1.009 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.773 -0.630 -0.825 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.558 0.293 -0.933 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.478 -0.298 -1.877 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.981 1.678 -1.401 1.00 0.00 C ATOM 0 H LEU A 279 -1.504 -1.500 1.556 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.956 0.733 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.418 -1.655 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.328 -0.579 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 279 -0.107 0.387 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.335 0.372 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.803 -1.268 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 279 0.039 -0.422 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -0.104 2.322 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -1.456 1.602 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -1.686 2.104 -0.687 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.589 -1.644 1.190 1.00 0.00 N ATOM 1102 CA GLU A 280 -5.839 -2.391 1.119 1.00 0.00 C ATOM 1103 C GLU A 280 -6.997 -1.480 0.721 1.00 0.00 C ATOM 1104 O GLU A 280 -7.033 -0.306 1.092 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.139 -3.056 2.464 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.311 -4.304 2.724 1.00 0.00 C ATOM 1107 CD GLU A 280 -5.810 -5.507 1.947 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -7.013 -5.541 1.613 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -4.997 -6.414 1.672 1.00 0.00 O ATOM 0 H GLU A 280 -4.182 -1.589 2.124 1.00 0.00 H new ATOM 0 HA GLU A 280 -5.728 -3.162 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -5.959 -2.337 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.197 -3.317 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -4.272 -4.109 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -5.328 -4.532 3.790 1.00 0.00 H new