USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 471 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 Single : A 186 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.31) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ 143:sc= -0.258 (180deg=-1.2!) USER MOD Single : A 202 LYS NZ :NH3+ 162:sc= -0.0489 (180deg=-0.438) USER MOD Single : A 203 CYS SG : rot 144:sc= 0.729 USER MOD Single : A 204 TYR OH : rot -147:sc= -0.476 USER MOD Single : A 214 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-3.4!) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 230 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.7!) USER MOD Single : A 235 MET CE :methyl -128:sc= -0.596 (180deg=-2.32!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 13.231 2.676 -1.378 1.00 0.00 N ATOM 136 CA ASP A 181 12.600 2.807 -2.728 1.00 0.00 C ATOM 137 C ASP A 181 11.210 3.458 -2.616 1.00 0.00 C ATOM 138 O ASP A 181 10.234 2.803 -2.316 1.00 0.00 O ATOM 139 CB ASP A 181 12.486 1.421 -3.357 1.00 0.00 C ATOM 140 CG ASP A 181 13.891 0.925 -3.707 1.00 0.00 C ATOM 141 OD1 ASP A 181 14.572 0.440 -2.818 1.00 0.00 O ATOM 142 OD2 ASP A 181 14.264 1.040 -4.861 1.00 0.00 O ATOM 0 HA ASP A 181 13.220 3.446 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 181 12.003 0.731 -2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.866 1.462 -4.252 1.00 0.00 H new ATOM 147 N GLU A 182 11.128 4.748 -2.869 1.00 0.00 N ATOM 148 CA GLU A 182 9.817 5.479 -2.805 1.00 0.00 C ATOM 149 C GLU A 182 8.828 4.883 -3.814 1.00 0.00 C ATOM 150 O GLU A 182 7.638 4.828 -3.577 1.00 0.00 O ATOM 151 CB GLU A 182 10.019 6.963 -3.126 1.00 0.00 C ATOM 152 CG GLU A 182 8.685 7.694 -2.954 1.00 0.00 C ATOM 153 CD GLU A 182 8.881 9.198 -3.150 1.00 0.00 C ATOM 154 OE1 GLU A 182 8.810 9.633 -4.290 1.00 0.00 O ATOM 155 OE2 GLU A 182 9.091 9.891 -2.167 1.00 0.00 O ATOM 0 H GLU A 182 11.926 5.332 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 182 9.418 5.375 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 182 10.772 7.392 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 182 10.385 7.082 -4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 182 7.959 7.317 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 182 8.280 7.498 -1.961 1.00 0.00 H new ATOM 162 N ASP A 183 9.311 4.472 -4.957 1.00 0.00 N ATOM 163 CA ASP A 183 8.403 3.915 -6.002 1.00 0.00 C ATOM 164 C ASP A 183 7.654 2.696 -5.460 1.00 0.00 C ATOM 165 O ASP A 183 6.485 2.512 -5.737 1.00 0.00 O ATOM 166 CB ASP A 183 9.226 3.501 -7.223 1.00 0.00 C ATOM 167 CG ASP A 183 9.661 4.752 -7.985 1.00 0.00 C ATOM 168 OD1 ASP A 183 8.793 5.448 -8.476 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.855 4.989 -8.058 1.00 0.00 O ATOM 0 H ASP A 183 10.298 4.498 -5.212 1.00 0.00 H new ATOM 0 HA ASP A 183 7.679 4.680 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 183 10.100 2.929 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.636 2.853 -7.871 1.00 0.00 H new ATOM 174 N ALA A 184 8.300 1.855 -4.705 1.00 0.00 N ATOM 175 CA ALA A 184 7.588 0.656 -4.182 1.00 0.00 C ATOM 176 C ALA A 184 6.530 1.081 -3.157 1.00 0.00 C ATOM 177 O ALA A 184 5.427 0.570 -3.152 1.00 0.00 O ATOM 178 CB ALA A 184 8.592 -0.284 -3.507 1.00 0.00 C ATOM 0 H ALA A 184 9.278 1.942 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 184 7.103 0.143 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 184 8.069 -1.161 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.343 -0.597 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 184 9.079 0.236 -2.682 1.00 0.00 H new ATOM 184 N TRP A 185 6.846 2.004 -2.287 1.00 0.00 N ATOM 185 CA TRP A 185 5.836 2.438 -1.274 1.00 0.00 C ATOM 186 C TRP A 185 4.607 3.008 -1.977 1.00 0.00 C ATOM 187 O TRP A 185 3.485 2.675 -1.662 1.00 0.00 O ATOM 188 CB TRP A 185 6.438 3.502 -0.356 1.00 0.00 C ATOM 189 CG TRP A 185 5.401 3.939 0.632 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.856 5.175 0.682 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.767 3.171 1.700 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.936 5.217 1.710 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.841 4.005 2.363 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.904 1.847 2.152 1.00 0.00 C ATOM 195 CZ2 TRP A 185 3.075 3.539 3.434 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.135 1.375 3.230 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.223 2.220 3.868 1.00 0.00 C ATOM 0 H TRP A 185 7.750 2.473 -2.233 1.00 0.00 H new ATOM 0 HA TRP A 185 5.543 1.574 -0.678 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.308 3.101 0.164 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.782 4.354 -0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 185 5.101 5.996 0.024 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.392 6.044 1.957 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.607 1.186 1.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.372 4.196 3.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.250 0.355 3.566 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.634 1.854 4.695 1.00 0.00 H new ATOM 208 N GLN A 186 4.818 3.863 -2.929 1.00 0.00 N ATOM 209 CA GLN A 186 3.673 4.464 -3.651 1.00 0.00 C ATOM 210 C GLN A 186 2.866 3.351 -4.323 1.00 0.00 C ATOM 211 O GLN A 186 1.652 3.371 -4.341 1.00 0.00 O ATOM 212 CB GLN A 186 4.196 5.447 -4.701 1.00 0.00 C ATOM 213 CG GLN A 186 4.838 6.659 -4.013 1.00 0.00 C ATOM 214 CD GLN A 186 3.785 7.440 -3.228 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.766 7.833 -3.765 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.988 7.685 -1.967 1.00 0.00 N ATOM 0 H GLN A 186 5.739 4.173 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 186 3.030 5.001 -2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.927 4.953 -5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 186 3.379 5.774 -5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 186 5.631 6.328 -3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 186 5.301 7.306 -4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.841 7.357 -1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 186 3.294 8.205 -1.430 1.00 0.00 H new ATOM 225 N PHE A 187 3.527 2.369 -4.873 1.00 0.00 N ATOM 226 CA PHE A 187 2.780 1.260 -5.540 1.00 0.00 C ATOM 227 C PHE A 187 1.866 0.593 -4.511 1.00 0.00 C ATOM 228 O PHE A 187 0.717 0.306 -4.782 1.00 0.00 O ATOM 229 CB PHE A 187 3.795 0.239 -6.073 1.00 0.00 C ATOM 230 CG PHE A 187 3.139 -0.696 -7.068 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.225 -1.672 -6.636 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.458 -0.597 -8.431 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.632 -2.535 -7.565 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.864 -1.466 -9.356 1.00 0.00 C ATOM 235 CZ PHE A 187 1.950 -2.433 -8.924 1.00 0.00 C ATOM 0 H PHE A 187 4.543 2.285 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 187 2.178 1.643 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.627 0.759 -6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.210 -0.336 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 187 1.980 -1.756 -5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 187 4.162 0.150 -8.767 1.00 0.00 H new ATOM 0 HE1 PHE A 187 0.927 -3.282 -7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 187 3.112 -1.389 -10.404 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.490 -3.100 -9.638 1.00 0.00 H new ATOM 245 N LEU A 188 2.362 0.358 -3.331 1.00 0.00 N ATOM 246 CA LEU A 188 1.523 -0.274 -2.266 1.00 0.00 C ATOM 247 C LEU A 188 0.311 0.613 -1.950 1.00 0.00 C ATOM 248 O LEU A 188 -0.805 0.148 -1.877 1.00 0.00 O ATOM 249 CB LEU A 188 2.373 -0.462 -1.005 1.00 0.00 C ATOM 250 CG LEU A 188 1.532 -1.061 0.131 1.00 0.00 C ATOM 251 CD1 LEU A 188 0.907 -2.396 -0.309 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.435 -1.306 1.338 1.00 0.00 C ATOM 0 H LEU A 188 3.319 0.576 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 188 1.164 -1.242 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.217 -1.116 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.786 0.497 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 188 0.733 -0.365 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.314 -2.807 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.266 -2.230 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.698 -3.098 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.848 -1.732 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.230 -1.999 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.873 -0.362 1.662 1.00 0.00 H new ATOM 264 N ILE A 189 0.533 1.890 -1.746 1.00 0.00 N ATOM 265 CA ILE A 189 -0.589 2.818 -1.414 1.00 0.00 C ATOM 266 C ILE A 189 -1.609 2.809 -2.556 1.00 0.00 C ATOM 267 O ILE A 189 -2.804 2.784 -2.345 1.00 0.00 O ATOM 268 CB ILE A 189 -0.029 4.240 -1.260 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.982 4.293 -0.111 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.159 5.240 -1.001 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.346 3.863 1.220 1.00 0.00 C ATOM 0 H ILE A 189 1.452 2.330 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.069 2.500 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 189 0.473 4.510 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.827 3.643 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.375 5.305 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.742 6.241 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.857 5.225 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.684 4.967 -0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 189 1.092 3.913 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.483 4.529 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.024 2.841 1.133 1.00 0.00 H new ATOM 283 N ALA A 190 -1.136 2.828 -3.769 1.00 0.00 N ATOM 284 CA ALA A 190 -2.053 2.824 -4.940 1.00 0.00 C ATOM 285 C ALA A 190 -2.838 1.511 -4.980 1.00 0.00 C ATOM 286 O ALA A 190 -4.014 1.490 -5.288 1.00 0.00 O ATOM 287 CB ALA A 190 -1.236 2.986 -6.221 1.00 0.00 C ATOM 0 H ALA A 190 -0.143 2.846 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.758 3.651 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -1.905 2.984 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.691 3.929 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.529 2.161 -6.308 1.00 0.00 H new ATOM 293 N ASP A 191 -2.201 0.414 -4.679 1.00 0.00 N ATOM 294 CA ASP A 191 -2.923 -0.889 -4.708 1.00 0.00 C ATOM 295 C ASP A 191 -3.925 -0.966 -3.544 1.00 0.00 C ATOM 296 O ASP A 191 -5.021 -1.471 -3.693 1.00 0.00 O ATOM 297 CB ASP A 191 -1.923 -2.040 -4.607 1.00 0.00 C ATOM 298 CG ASP A 191 -2.674 -3.368 -4.712 1.00 0.00 C ATOM 299 OD1 ASP A 191 -3.186 -3.815 -3.698 1.00 0.00 O ATOM 300 OD2 ASP A 191 -2.731 -3.918 -5.803 1.00 0.00 O ATOM 0 H ASP A 191 -1.217 0.363 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 191 -3.467 -0.969 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -1.181 -1.964 -5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -1.383 -1.987 -3.661 1.00 0.00 H new ATOM 305 N TYR A 192 -3.557 -0.487 -2.385 1.00 0.00 N ATOM 306 CA TYR A 192 -4.483 -0.556 -1.216 1.00 0.00 C ATOM 307 C TYR A 192 -5.784 0.205 -1.512 1.00 0.00 C ATOM 308 O TYR A 192 -6.859 -0.187 -1.093 1.00 0.00 O ATOM 309 CB TYR A 192 -3.784 0.057 0.005 1.00 0.00 C ATOM 310 CG TYR A 192 -4.579 -0.266 1.237 1.00 0.00 C ATOM 311 CD1 TYR A 192 -5.694 0.508 1.564 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.209 -1.347 2.041 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.445 0.204 2.702 1.00 0.00 C ATOM 314 CE2 TYR A 192 -4.960 -1.657 3.181 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.080 -0.877 3.509 1.00 0.00 C ATOM 316 OH TYR A 192 -6.823 -1.174 4.626 1.00 0.00 O ATOM 0 H TYR A 192 -2.654 -0.051 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 192 -4.736 -1.597 -1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -2.772 -0.337 0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.696 1.137 -0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -5.976 1.341 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -3.345 -1.942 1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.306 0.803 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -4.679 -2.492 3.805 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.438 -1.954 5.077 1.00 0.00 H new ATOM 326 N LEU A 193 -5.689 1.298 -2.208 1.00 0.00 N ATOM 327 CA LEU A 193 -6.902 2.120 -2.512 1.00 0.00 C ATOM 328 C LEU A 193 -7.701 1.535 -3.677 1.00 0.00 C ATOM 329 O LEU A 193 -8.740 2.054 -4.025 1.00 0.00 O ATOM 330 CB LEU A 193 -6.454 3.529 -2.878 1.00 0.00 C ATOM 331 CG LEU A 193 -5.666 4.135 -1.714 1.00 0.00 C ATOM 332 CD1 LEU A 193 -5.065 5.476 -2.151 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.584 4.339 -0.502 1.00 0.00 C ATOM 0 H LEU A 193 -4.816 1.666 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.544 2.128 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.835 3.503 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.321 4.149 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.864 3.454 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.503 5.910 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.398 5.317 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.866 6.156 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -6.012 4.771 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.397 5.013 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.996 3.379 -0.192 1.00 0.00 H new ATOM 345 N ARG A 194 -7.259 0.466 -4.280 1.00 0.00 N ATOM 346 CA ARG A 194 -8.059 -0.101 -5.405 1.00 0.00 C ATOM 347 C ARG A 194 -9.341 -0.738 -4.834 1.00 0.00 C ATOM 348 O ARG A 194 -9.279 -1.457 -3.861 1.00 0.00 O ATOM 349 CB ARG A 194 -7.243 -1.178 -6.131 1.00 0.00 C ATOM 350 CG ARG A 194 -6.153 -0.524 -7.023 1.00 0.00 C ATOM 351 CD ARG A 194 -6.646 -0.358 -8.474 1.00 0.00 C ATOM 352 NE ARG A 194 -7.652 0.736 -8.555 1.00 0.00 N ATOM 353 CZ ARG A 194 -7.955 1.264 -9.716 1.00 0.00 C ATOM 354 NH1 ARG A 194 -7.345 0.876 -10.799 1.00 0.00 N ATOM 355 NH2 ARG A 194 -8.860 2.186 -9.793 1.00 0.00 N ATOM 0 H ARG A 194 -6.398 -0.031 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.314 0.693 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -6.776 -1.841 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -7.903 -1.792 -6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -5.881 0.449 -6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.252 -1.138 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -5.803 -0.136 -9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -7.085 -1.292 -8.825 1.00 0.00 H new ATOM 0 HE ARG A 194 -8.106 1.075 -7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -6.625 0.156 -10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -7.587 1.293 -11.698 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -9.338 2.503 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -9.095 2.596 -10.697 1.00 0.00 H new ATOM 369 N PRO A 195 -10.499 -0.488 -5.415 1.00 0.00 N ATOM 370 CA PRO A 195 -11.776 -1.074 -4.909 1.00 0.00 C ATOM 371 C PRO A 195 -11.621 -2.549 -4.495 1.00 0.00 C ATOM 372 O PRO A 195 -12.247 -3.010 -3.560 1.00 0.00 O ATOM 373 CB PRO A 195 -12.722 -0.955 -6.107 1.00 0.00 C ATOM 374 CG PRO A 195 -12.250 0.251 -6.855 1.00 0.00 C ATOM 375 CD PRO A 195 -10.734 0.367 -6.601 1.00 0.00 C ATOM 0 HA PRO A 195 -12.131 -0.562 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -12.682 -1.847 -6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.756 -0.839 -5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.457 0.151 -7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -12.769 1.146 -6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.159 0.023 -7.460 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.439 1.399 -6.413 1.00 0.00 H new ATOM 383 N GLU A 196 -10.792 -3.289 -5.199 1.00 0.00 N ATOM 384 CA GLU A 196 -10.591 -4.730 -4.861 1.00 0.00 C ATOM 385 C GLU A 196 -9.912 -4.835 -3.496 1.00 0.00 C ATOM 386 O GLU A 196 -10.252 -5.682 -2.702 1.00 0.00 O ATOM 387 CB GLU A 196 -9.732 -5.407 -5.937 1.00 0.00 C ATOM 388 CG GLU A 196 -10.498 -5.411 -7.261 1.00 0.00 C ATOM 389 CD GLU A 196 -11.681 -6.373 -7.155 1.00 0.00 C ATOM 390 OE1 GLU A 196 -12.739 -5.933 -6.741 1.00 0.00 O ATOM 391 OE2 GLU A 196 -11.507 -7.534 -7.485 1.00 0.00 O ATOM 0 H GLU A 196 -10.247 -2.953 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 196 -11.556 -5.235 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -8.786 -4.877 -6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -9.491 -6.427 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -10.851 -4.406 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -9.839 -5.714 -8.075 1.00 0.00 H new ATOM 398 N LYS A 197 -8.960 -3.969 -3.220 1.00 0.00 N ATOM 399 CA LYS A 197 -8.246 -3.989 -1.899 1.00 0.00 C ATOM 400 C LYS A 197 -7.986 -5.437 -1.451 1.00 0.00 C ATOM 401 O LYS A 197 -8.348 -5.826 -0.356 1.00 0.00 O ATOM 402 CB LYS A 197 -9.070 -3.241 -0.825 1.00 0.00 C ATOM 403 CG LYS A 197 -10.474 -3.847 -0.673 1.00 0.00 C ATOM 404 CD LYS A 197 -11.177 -3.243 0.548 1.00 0.00 C ATOM 405 CE LYS A 197 -12.423 -4.075 0.899 1.00 0.00 C ATOM 406 NZ LYS A 197 -12.063 -5.520 1.052 1.00 0.00 N ATOM 0 H LYS A 197 -8.645 -3.242 -3.862 1.00 0.00 H new ATOM 0 HA LYS A 197 -7.289 -3.482 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -8.548 -3.283 0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -9.154 -2.189 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -11.061 -3.656 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.402 -4.929 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -10.494 -3.219 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -11.464 -2.212 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -12.866 -3.705 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -13.175 -3.962 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -12.623 -5.938 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -12.265 -6.024 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -11.051 -5.604 1.275 1.00 0.00 H new ATOM 420 N PRO A 198 -7.367 -6.240 -2.292 1.00 0.00 N ATOM 421 CA PRO A 198 -7.076 -7.665 -1.967 1.00 0.00 C ATOM 422 C PRO A 198 -6.572 -7.809 -0.525 1.00 0.00 C ATOM 423 O PRO A 198 -6.332 -6.831 0.156 1.00 0.00 O ATOM 424 CB PRO A 198 -6.017 -8.096 -3.014 1.00 0.00 C ATOM 425 CG PRO A 198 -5.710 -6.867 -3.830 1.00 0.00 C ATOM 426 CD PRO A 198 -6.871 -5.893 -3.629 1.00 0.00 C ATOM 0 HA PRO A 198 -7.961 -8.299 -2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.119 -8.474 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.398 -8.898 -3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -4.770 -6.417 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.599 -7.122 -4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.541 -4.856 -3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.641 -6.020 -4.390 1.00 0.00 H new ATOM 434 N ALA A 199 -6.423 -9.009 -0.039 1.00 0.00 N ATOM 435 CA ALA A 199 -5.961 -9.162 1.360 1.00 0.00 C ATOM 436 C ALA A 199 -4.564 -8.562 1.488 1.00 0.00 C ATOM 437 O ALA A 199 -3.735 -8.713 0.613 1.00 0.00 O ATOM 438 CB ALA A 199 -5.910 -10.641 1.715 1.00 0.00 C ATOM 0 H ALA A 199 -6.599 -9.877 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.647 -8.650 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.570 -10.757 2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.904 -11.075 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.219 -11.152 1.045 1.00 0.00 H new ATOM 444 N PHE A 200 -4.290 -7.885 2.561 1.00 0.00 N ATOM 445 CA PHE A 200 -2.939 -7.283 2.718 1.00 0.00 C ATOM 446 C PHE A 200 -1.871 -8.384 2.693 1.00 0.00 C ATOM 447 O PHE A 200 -0.865 -8.259 2.025 1.00 0.00 O ATOM 448 CB PHE A 200 -2.880 -6.547 4.042 1.00 0.00 C ATOM 449 CG PHE A 200 -1.498 -5.970 4.235 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.021 -4.983 3.360 1.00 0.00 C ATOM 451 CD2 PHE A 200 -0.691 -6.424 5.286 1.00 0.00 C ATOM 452 CE1 PHE A 200 0.261 -4.450 3.536 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.594 -5.889 5.465 1.00 0.00 C ATOM 454 CZ PHE A 200 1.068 -4.902 4.588 1.00 0.00 C ATOM 0 H PHE A 200 -4.936 -7.721 3.333 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.750 -6.589 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.624 -5.751 4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.119 -7.227 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -1.644 -4.634 2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.058 -7.186 5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 200 0.628 -3.691 2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 200 1.217 -6.236 6.276 1.00 0.00 H new ATOM 0 HZ PHE A 200 2.057 -4.490 4.724 1.00 0.00 H new ATOM 464 N ARG A 201 -2.077 -9.460 3.408 1.00 0.00 N ATOM 465 CA ARG A 201 -1.071 -10.560 3.415 1.00 0.00 C ATOM 466 C ARG A 201 -0.909 -11.118 1.991 1.00 0.00 C ATOM 467 O ARG A 201 0.189 -11.398 1.542 1.00 0.00 O ATOM 468 CB ARG A 201 -1.549 -11.657 4.384 1.00 0.00 C ATOM 469 CG ARG A 201 -0.534 -12.795 4.418 1.00 0.00 C ATOM 470 CD ARG A 201 -1.018 -13.881 5.385 1.00 0.00 C ATOM 471 NE ARG A 201 -0.025 -14.988 5.434 1.00 0.00 N ATOM 472 CZ ARG A 201 -0.086 -15.887 6.383 1.00 0.00 C ATOM 473 NH1 ARG A 201 -0.998 -15.804 7.318 1.00 0.00 N ATOM 474 NH2 ARG A 201 0.777 -16.863 6.398 1.00 0.00 N ATOM 0 H ARG A 201 -2.900 -9.623 3.988 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.102 -10.188 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -1.677 -11.242 5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -2.522 -12.035 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -0.406 -13.213 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 201 0.439 -12.419 4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -1.156 -13.459 6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -1.987 -14.263 5.063 1.00 0.00 H new ATOM 0 HE ARG A 201 0.706 -15.046 4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -1.668 -15.035 7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -1.039 -16.509 8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 201 1.493 -16.922 5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 201 0.737 -17.568 7.134 1.00 0.00 H new ATOM 488 N LYS A 202 -1.990 -11.271 1.269 1.00 0.00 N ATOM 489 CA LYS A 202 -1.900 -11.797 -0.125 1.00 0.00 C ATOM 490 C LYS A 202 -1.338 -10.718 -1.058 1.00 0.00 C ATOM 491 O LYS A 202 -0.556 -10.994 -1.947 1.00 0.00 O ATOM 492 CB LYS A 202 -3.291 -12.209 -0.598 1.00 0.00 C ATOM 493 CG LYS A 202 -3.164 -12.967 -1.921 1.00 0.00 C ATOM 494 CD LYS A 202 -4.541 -13.446 -2.361 1.00 0.00 C ATOM 495 CE LYS A 202 -4.425 -14.113 -3.732 1.00 0.00 C ATOM 496 NZ LYS A 202 -3.554 -15.315 -3.632 1.00 0.00 N ATOM 0 H LYS A 202 -2.934 -11.053 1.587 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.235 -12.661 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.772 -12.838 0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -3.921 -11.329 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -2.730 -12.320 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -2.491 -13.817 -1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -4.944 -14.150 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -5.234 -12.606 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -5.413 -14.397 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -4.010 -13.411 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -3.713 -15.929 -4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -2.557 -15.020 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -3.782 -15.838 -2.762 1.00 0.00 H new ATOM 510 N CYS A 203 -1.752 -9.492 -0.872 1.00 0.00 N ATOM 511 CA CYS A 203 -1.266 -8.388 -1.744 1.00 0.00 C ATOM 512 C CYS A 203 0.233 -8.151 -1.540 1.00 0.00 C ATOM 513 O CYS A 203 0.943 -7.823 -2.468 1.00 0.00 O ATOM 514 CB CYS A 203 -2.033 -7.108 -1.403 1.00 0.00 C ATOM 515 SG CYS A 203 -1.605 -5.813 -2.599 1.00 0.00 S ATOM 0 H CYS A 203 -2.411 -9.209 -0.147 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.433 -8.664 -2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -3.106 -7.297 -1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -1.787 -6.781 -0.393 1.00 0.00 H new ATOM 0 HG CYS A 203 -2.654 -5.085 -2.845 1.00 0.00 H new ATOM 521 N TYR A 204 0.718 -8.288 -0.340 1.00 0.00 N ATOM 522 CA TYR A 204 2.162 -8.041 -0.104 1.00 0.00 C ATOM 523 C TYR A 204 3.004 -8.990 -0.946 1.00 0.00 C ATOM 524 O TYR A 204 4.026 -8.609 -1.482 1.00 0.00 O ATOM 525 CB TYR A 204 2.483 -8.254 1.364 1.00 0.00 C ATOM 526 CG TYR A 204 3.861 -7.710 1.656 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.986 -8.531 1.514 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.009 -6.381 2.072 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.261 -8.021 1.788 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.283 -5.870 2.349 1.00 0.00 C ATOM 531 CZ TYR A 204 6.408 -6.690 2.205 1.00 0.00 C ATOM 532 OH TYR A 204 7.663 -6.190 2.476 1.00 0.00 O ATOM 0 H TYR A 204 0.179 -8.559 0.483 1.00 0.00 H new ATOM 0 HA TYR A 204 2.392 -7.014 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.742 -7.753 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.439 -9.315 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.871 -9.556 1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.140 -5.749 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.131 -8.652 1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.397 -4.846 2.673 1.00 0.00 H new ATOM 0 HH TYR A 204 7.602 -5.524 3.192 1.00 0.00 H new ATOM 542 N GLU A 205 2.601 -10.225 -1.061 1.00 0.00 N ATOM 543 CA GLU A 205 3.414 -11.175 -1.864 1.00 0.00 C ATOM 544 C GLU A 205 3.497 -10.643 -3.292 1.00 0.00 C ATOM 545 O GLU A 205 4.539 -10.675 -3.916 1.00 0.00 O ATOM 546 CB GLU A 205 2.743 -12.558 -1.874 1.00 0.00 C ATOM 547 CG GLU A 205 2.817 -13.174 -0.477 1.00 0.00 C ATOM 548 CD GLU A 205 4.257 -13.563 -0.147 1.00 0.00 C ATOM 549 OE1 GLU A 205 4.818 -14.357 -0.884 1.00 0.00 O ATOM 550 OE2 GLU A 205 4.777 -13.066 0.840 1.00 0.00 O ATOM 0 H GLU A 205 1.756 -10.612 -0.640 1.00 0.00 H new ATOM 0 HA GLU A 205 4.411 -11.270 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.703 -12.467 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 205 3.238 -13.208 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 205 2.446 -12.463 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.174 -14.053 -0.425 1.00 0.00 H new ATOM 557 N ARG A 206 2.411 -10.135 -3.804 1.00 0.00 N ATOM 558 CA ARG A 206 2.427 -9.589 -5.195 1.00 0.00 C ATOM 559 C ARG A 206 3.383 -8.402 -5.271 1.00 0.00 C ATOM 560 O ARG A 206 4.120 -8.246 -6.226 1.00 0.00 O ATOM 561 CB ARG A 206 1.019 -9.123 -5.577 1.00 0.00 C ATOM 562 CG ARG A 206 0.043 -10.303 -5.511 1.00 0.00 C ATOM 563 CD ARG A 206 0.176 -11.163 -6.760 1.00 0.00 C ATOM 564 NE ARG A 206 -0.878 -12.198 -6.733 1.00 0.00 N ATOM 565 CZ ARG A 206 -1.150 -12.861 -7.812 1.00 0.00 C ATOM 566 NH1 ARG A 206 -0.528 -12.562 -8.913 1.00 0.00 N ATOM 567 NH2 ARG A 206 -2.060 -13.790 -7.798 1.00 0.00 N ATOM 0 H ARG A 206 1.514 -10.073 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 206 2.757 -10.368 -5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.693 -8.332 -4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.026 -8.702 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.245 -10.903 -4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 206 -0.979 -9.935 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 206 0.080 -10.548 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 206 1.161 -11.627 -6.797 1.00 0.00 H new ATOM 0 HE ARG A 206 -1.388 -12.389 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 206 0.165 -11.813 -8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -0.732 -13.076 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -2.562 -13.999 -6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -2.271 -14.310 -8.650 1.00 0.00 H new ATOM 581 N LEU A 207 3.376 -7.565 -4.273 1.00 0.00 N ATOM 582 CA LEU A 207 4.281 -6.385 -4.286 1.00 0.00 C ATOM 583 C LEU A 207 5.734 -6.863 -4.363 1.00 0.00 C ATOM 584 O LEU A 207 6.558 -6.261 -5.027 1.00 0.00 O ATOM 585 CB LEU A 207 4.081 -5.565 -3.010 1.00 0.00 C ATOM 586 CG LEU A 207 4.941 -4.282 -3.064 1.00 0.00 C ATOM 587 CD1 LEU A 207 4.371 -3.304 -4.109 1.00 0.00 C ATOM 588 CD2 LEU A 207 4.950 -3.616 -1.683 1.00 0.00 C ATOM 0 H LEU A 207 2.782 -7.648 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 207 4.052 -5.763 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.029 -5.303 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.356 -6.160 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 207 5.959 -4.546 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 207 4.985 -2.404 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 207 4.375 -3.778 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 207 3.349 -3.037 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 207 5.556 -2.711 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 207 3.930 -3.358 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.370 -4.305 -0.950 1.00 0.00 H new ATOM 600 N GLU A 208 6.064 -7.927 -3.676 1.00 0.00 N ATOM 601 CA GLU A 208 7.469 -8.412 -3.710 1.00 0.00 C ATOM 602 C GLU A 208 7.846 -8.710 -5.160 1.00 0.00 C ATOM 603 O GLU A 208 8.928 -8.395 -5.605 1.00 0.00 O ATOM 604 CB GLU A 208 7.591 -9.701 -2.890 1.00 0.00 C ATOM 605 CG GLU A 208 7.424 -9.384 -1.400 1.00 0.00 C ATOM 606 CD GLU A 208 7.567 -10.666 -0.587 1.00 0.00 C ATOM 607 OE1 GLU A 208 6.575 -11.361 -0.427 1.00 0.00 O ATOM 608 OE2 GLU A 208 8.667 -10.930 -0.131 1.00 0.00 O ATOM 0 H GLU A 208 5.425 -8.474 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 208 8.130 -7.653 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.833 -10.418 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.561 -10.165 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.173 -8.657 -1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.448 -8.934 -1.220 1.00 0.00 H new ATOM 615 N LEU A 209 6.960 -9.289 -5.911 1.00 0.00 N ATOM 616 CA LEU A 209 7.291 -9.564 -7.335 1.00 0.00 C ATOM 617 C LEU A 209 7.588 -8.231 -8.014 1.00 0.00 C ATOM 618 O LEU A 209 8.547 -8.103 -8.746 1.00 0.00 O ATOM 619 CB LEU A 209 6.113 -10.266 -8.020 1.00 0.00 C ATOM 620 CG LEU A 209 6.383 -10.438 -9.525 1.00 0.00 C ATOM 621 CD1 LEU A 209 7.688 -11.209 -9.739 1.00 0.00 C ATOM 622 CD2 LEU A 209 5.231 -11.223 -10.163 1.00 0.00 C ATOM 0 H LEU A 209 6.031 -9.582 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 209 8.159 -10.219 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.948 -11.241 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 209 5.202 -9.686 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 209 6.464 -9.453 -9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 209 7.871 -11.326 -10.807 1.00 0.00 H new ATOM 0 HD12 LEU A 209 8.514 -10.659 -9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 209 7.610 -12.192 -9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 209 5.421 -11.346 -11.229 1.00 0.00 H new ATOM 0 HD22 LEU A 209 5.155 -12.203 -9.693 1.00 0.00 H new ATOM 0 HD23 LEU A 209 4.297 -10.679 -10.021 1.00 0.00 H new ATOM 634 N ALA A 210 6.781 -7.226 -7.757 1.00 0.00 N ATOM 635 CA ALA A 210 7.032 -5.895 -8.376 1.00 0.00 C ATOM 636 C ALA A 210 8.409 -5.413 -7.936 1.00 0.00 C ATOM 637 O ALA A 210 9.215 -4.981 -8.734 1.00 0.00 O ATOM 638 CB ALA A 210 5.955 -4.903 -7.912 1.00 0.00 C ATOM 0 H ALA A 210 5.965 -7.275 -7.147 1.00 0.00 H new ATOM 0 HA ALA A 210 6.995 -5.969 -9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.138 -3.929 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 210 4.972 -5.265 -8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 210 5.989 -4.811 -6.826 1.00 0.00 H new ATOM 644 N ALA A 211 8.701 -5.518 -6.673 1.00 0.00 N ATOM 645 CA ALA A 211 10.033 -5.100 -6.182 1.00 0.00 C ATOM 646 C ALA A 211 11.089 -5.931 -6.900 1.00 0.00 C ATOM 647 O ALA A 211 12.137 -5.442 -7.263 1.00 0.00 O ATOM 648 CB ALA A 211 10.123 -5.333 -4.668 1.00 0.00 C ATOM 0 H ALA A 211 8.069 -5.878 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 211 10.193 -4.040 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.105 -5.024 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.353 -4.749 -4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 211 9.975 -6.391 -4.453 1.00 0.00 H new ATOM 654 N ARG A 212 10.817 -7.190 -7.106 1.00 0.00 N ATOM 655 CA ARG A 212 11.801 -8.066 -7.797 1.00 0.00 C ATOM 656 C ARG A 212 11.947 -7.613 -9.256 1.00 0.00 C ATOM 657 O ARG A 212 13.032 -7.591 -9.801 1.00 0.00 O ATOM 658 CB ARG A 212 11.282 -9.510 -7.744 1.00 0.00 C ATOM 659 CG ARG A 212 12.318 -10.490 -8.319 1.00 0.00 C ATOM 660 CD ARG A 212 13.361 -10.857 -7.254 1.00 0.00 C ATOM 661 NE ARG A 212 12.703 -11.367 -6.026 1.00 0.00 N ATOM 662 CZ ARG A 212 13.405 -12.023 -5.142 1.00 0.00 C ATOM 663 NH1 ARG A 212 14.679 -12.218 -5.334 1.00 0.00 N ATOM 664 NH2 ARG A 212 12.837 -12.470 -4.065 1.00 0.00 N ATOM 0 H ARG A 212 9.952 -7.650 -6.824 1.00 0.00 H new ATOM 0 HA ARG A 212 12.775 -8.005 -7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.054 -9.780 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 212 10.352 -9.587 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 212 11.817 -11.392 -8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 212 12.812 -10.042 -9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 212 14.040 -11.613 -7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 212 13.964 -9.982 -7.012 1.00 0.00 H new ATOM 0 HE ARG A 212 11.707 -11.206 -5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 212 15.129 -11.858 -6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 212 15.226 -12.731 -4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 212 11.842 -12.309 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 212 13.385 -12.983 -3.374 1.00 0.00 H new ATOM 678 N GLU A 213 10.859 -7.253 -9.891 1.00 0.00 N ATOM 679 CA GLU A 213 10.927 -6.798 -11.315 1.00 0.00 C ATOM 680 C GLU A 213 11.601 -5.424 -11.416 1.00 0.00 C ATOM 681 O GLU A 213 12.374 -5.169 -12.324 1.00 0.00 O ATOM 682 CB GLU A 213 9.506 -6.715 -11.879 1.00 0.00 C ATOM 683 CG GLU A 213 8.941 -8.140 -12.040 1.00 0.00 C ATOM 684 CD GLU A 213 7.457 -8.073 -12.408 1.00 0.00 C ATOM 685 OE1 GLU A 213 6.677 -7.626 -11.582 1.00 0.00 O ATOM 686 OE2 GLU A 213 7.121 -8.473 -13.510 1.00 0.00 O ATOM 0 H GLU A 213 9.924 -7.255 -9.484 1.00 0.00 H new ATOM 0 HA GLU A 213 11.518 -7.513 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 213 8.871 -6.132 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.513 -6.203 -12.841 1.00 0.00 H new ATOM 0 HG2 GLU A 213 9.493 -8.674 -12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 213 9.070 -8.699 -11.113 1.00 0.00 H new ATOM 693 N HIS A 214 11.307 -4.530 -10.496 1.00 0.00 N ATOM 694 CA HIS A 214 11.923 -3.164 -10.547 1.00 0.00 C ATOM 695 C HIS A 214 13.190 -3.129 -9.692 1.00 0.00 C ATOM 696 O HIS A 214 14.007 -2.236 -9.810 1.00 0.00 O ATOM 697 CB HIS A 214 10.923 -2.132 -10.017 1.00 0.00 C ATOM 698 CG HIS A 214 9.718 -2.080 -10.916 1.00 0.00 C ATOM 699 ND1 HIS A 214 9.697 -1.304 -12.061 1.00 0.00 N ATOM 700 CD2 HIS A 214 8.493 -2.703 -10.863 1.00 0.00 C ATOM 701 CE1 HIS A 214 8.501 -1.475 -12.650 1.00 0.00 C ATOM 702 NE2 HIS A 214 7.726 -2.318 -11.961 1.00 0.00 N ATOM 0 H HIS A 214 10.669 -4.688 -9.716 1.00 0.00 H new ATOM 0 HA HIS A 214 12.181 -2.928 -11.579 1.00 0.00 H new ATOM 0 HB2 HIS A 214 10.620 -2.393 -9.003 1.00 0.00 H new ATOM 0 HB3 HIS A 214 11.393 -1.150 -9.966 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.174 -3.386 -10.089 1.00 0.00 H new ATOM 0 HE1 HIS A 214 8.203 -0.990 -13.568 1.00 0.00 H new ATOM 0 HE2 HIS A 214 6.777 -2.616 -12.190 1.00 0.00 H new ATOM 710 N GLY A 215 13.354 -4.089 -8.825 1.00 0.00 N ATOM 711 CA GLY A 215 14.565 -4.114 -7.951 1.00 0.00 C ATOM 712 C GLY A 215 14.403 -3.117 -6.803 1.00 0.00 C ATOM 713 O GLY A 215 15.339 -2.438 -6.428 1.00 0.00 O ATOM 0 H GLY A 215 12.701 -4.860 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 215 14.716 -5.118 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.451 -3.867 -8.536 1.00 0.00 H new ATOM 717 N TRP A 216 13.227 -3.005 -6.246 1.00 0.00 N ATOM 718 CA TRP A 216 13.031 -2.032 -5.129 1.00 0.00 C ATOM 719 C TRP A 216 13.260 -2.703 -3.770 1.00 0.00 C ATOM 720 O TRP A 216 12.953 -3.861 -3.572 1.00 0.00 O ATOM 721 CB TRP A 216 11.586 -1.532 -5.107 1.00 0.00 C ATOM 722 CG TRP A 216 11.218 -0.781 -6.346 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.982 0.130 -7.000 1.00 0.00 C ATOM 724 CD2 TRP A 216 9.961 -0.857 -7.074 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.263 0.611 -8.085 1.00 0.00 N ATOM 726 CE2 TRP A 216 10.014 0.031 -8.170 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.791 -1.615 -6.883 1.00 0.00 C ATOM 728 CZ2 TRP A 216 8.943 0.172 -9.050 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.708 -1.481 -7.763 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.780 -0.589 -8.846 1.00 0.00 C ATOM 0 H TRP A 216 12.400 -3.539 -6.512 1.00 0.00 H new ATOM 0 HA TRP A 216 13.739 -1.220 -5.293 1.00 0.00 H new ATOM 0 HB2 TRP A 216 10.913 -2.381 -4.988 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.442 -0.888 -4.240 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.982 0.430 -6.723 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.615 1.309 -8.740 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.727 -2.304 -6.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 9.006 0.859 -9.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.814 -2.066 -7.608 1.00 0.00 H new ATOM 0 HH2 TRP A 216 6.943 -0.489 -9.521 1.00 0.00 H new ATOM 741 N SER A 217 13.717 -1.944 -2.811 1.00 0.00 N ATOM 742 CA SER A 217 13.877 -2.479 -1.433 1.00 0.00 C ATOM 743 C SER A 217 12.566 -2.166 -0.701 1.00 0.00 C ATOM 744 O SER A 217 12.123 -1.033 -0.677 1.00 0.00 O ATOM 745 CB SER A 217 15.040 -1.775 -0.734 1.00 0.00 C ATOM 746 OG SER A 217 15.119 -2.224 0.613 1.00 0.00 O ATOM 0 H SER A 217 13.988 -0.968 -2.927 1.00 0.00 H new ATOM 0 HA SER A 217 14.087 -3.548 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 217 15.974 -1.986 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 217 14.896 -0.695 -0.762 1.00 0.00 H new ATOM 0 HG SER A 217 15.865 -1.776 1.064 1.00 0.00 H new ATOM 752 N ILE A 218 11.917 -3.156 -0.143 1.00 0.00 N ATOM 753 CA ILE A 218 10.602 -2.911 0.546 1.00 0.00 C ATOM 754 C ILE A 218 10.774 -2.979 2.079 1.00 0.00 C ATOM 755 O ILE A 218 11.600 -3.717 2.578 1.00 0.00 O ATOM 756 CB ILE A 218 9.612 -3.989 0.081 1.00 0.00 C ATOM 757 CG1 ILE A 218 9.972 -5.347 0.721 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.680 -4.105 -1.453 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.223 -6.486 0.005 1.00 0.00 C ATOM 0 H ILE A 218 12.236 -4.125 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 218 10.230 -1.918 0.292 1.00 0.00 H new ATOM 0 HB ILE A 218 8.603 -3.712 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.047 -5.513 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.712 -5.339 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 218 8.980 -4.869 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.418 -3.147 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.691 -4.381 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.485 -7.439 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.148 -6.325 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.505 -6.502 -1.048 1.00 0.00 H new ATOM 771 N PRO A 219 9.994 -2.227 2.826 1.00 0.00 N ATOM 772 CA PRO A 219 10.072 -2.230 4.315 1.00 0.00 C ATOM 773 C PRO A 219 9.465 -3.510 4.914 1.00 0.00 C ATOM 774 O PRO A 219 8.799 -4.264 4.232 1.00 0.00 O ATOM 775 CB PRO A 219 9.253 -0.997 4.716 1.00 0.00 C ATOM 776 CG PRO A 219 8.245 -0.855 3.625 1.00 0.00 C ATOM 777 CD PRO A 219 8.960 -1.292 2.348 1.00 0.00 C ATOM 0 HA PRO A 219 11.099 -2.203 4.679 1.00 0.00 H new ATOM 0 HB2 PRO A 219 8.774 -1.135 5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 219 9.882 -0.110 4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.370 -1.476 3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 219 7.895 0.174 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.275 -1.775 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.400 -0.443 1.825 1.00 0.00 H new ATOM 785 N SER A 220 9.696 -3.752 6.180 1.00 0.00 N ATOM 786 CA SER A 220 9.136 -4.972 6.834 1.00 0.00 C ATOM 787 C SER A 220 7.606 -4.921 6.758 1.00 0.00 C ATOM 788 O SER A 220 7.002 -3.869 6.851 1.00 0.00 O ATOM 789 CB SER A 220 9.592 -5.025 8.298 1.00 0.00 C ATOM 790 OG SER A 220 9.183 -6.257 8.883 1.00 0.00 O ATOM 0 H SER A 220 10.251 -3.153 6.791 1.00 0.00 H new ATOM 0 HA SER A 220 9.493 -5.866 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 220 10.676 -4.926 8.355 1.00 0.00 H new ATOM 0 HB3 SER A 220 9.166 -4.189 8.852 1.00 0.00 H new ATOM 0 HG SER A 220 9.477 -6.289 9.817 1.00 0.00 H new ATOM 796 N ARG A 221 6.976 -6.050 6.562 1.00 0.00 N ATOM 797 CA ARG A 221 5.491 -6.069 6.448 1.00 0.00 C ATOM 798 C ARG A 221 4.861 -5.394 7.664 1.00 0.00 C ATOM 799 O ARG A 221 3.909 -4.647 7.540 1.00 0.00 O ATOM 800 CB ARG A 221 5.001 -7.521 6.381 1.00 0.00 C ATOM 801 CG ARG A 221 5.431 -8.160 5.062 1.00 0.00 C ATOM 802 CD ARG A 221 4.931 -9.612 5.013 1.00 0.00 C ATOM 803 NE ARG A 221 5.523 -10.381 6.143 1.00 0.00 N ATOM 804 CZ ARG A 221 5.027 -11.538 6.483 1.00 0.00 C ATOM 805 NH1 ARG A 221 3.992 -12.022 5.844 1.00 0.00 N ATOM 806 NH2 ARG A 221 5.571 -12.196 7.473 1.00 0.00 N ATOM 0 H ARG A 221 7.428 -6.960 6.476 1.00 0.00 H new ATOM 0 HA ARG A 221 5.202 -5.533 5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.407 -8.089 7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 221 3.915 -7.551 6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.026 -7.595 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.517 -8.134 4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 221 3.843 -9.635 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 221 5.207 -10.071 4.063 1.00 0.00 H new ATOM 0 HE ARG A 221 6.320 -10.001 6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 221 3.572 -11.494 5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 221 3.605 -12.927 6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 221 6.372 -11.803 7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 221 5.194 -13.102 7.751 1.00 0.00 H new ATOM 820 N ALA A 222 5.379 -5.649 8.834 1.00 0.00 N ATOM 821 CA ALA A 222 4.805 -5.028 10.059 1.00 0.00 C ATOM 822 C ALA A 222 4.878 -3.501 9.973 1.00 0.00 C ATOM 823 O ALA A 222 3.955 -2.805 10.349 1.00 0.00 O ATOM 824 CB ALA A 222 5.608 -5.477 11.284 1.00 0.00 C ATOM 0 H ALA A 222 6.178 -6.263 8.994 1.00 0.00 H new ATOM 0 HA ALA A 222 3.764 -5.340 10.145 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.188 -5.022 12.181 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.562 -6.562 11.372 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.647 -5.166 11.172 1.00 0.00 H new ATOM 830 N THR A 223 5.976 -2.971 9.500 1.00 0.00 N ATOM 831 CA THR A 223 6.116 -1.484 9.417 1.00 0.00 C ATOM 832 C THR A 223 5.115 -0.903 8.421 1.00 0.00 C ATOM 833 O THR A 223 4.537 0.143 8.655 1.00 0.00 O ATOM 834 CB THR A 223 7.538 -1.122 8.964 1.00 0.00 C ATOM 835 OG1 THR A 223 8.471 -1.608 9.917 1.00 0.00 O ATOM 836 CG2 THR A 223 7.668 0.402 8.838 1.00 0.00 C ATOM 0 H THR A 223 6.781 -3.501 9.168 1.00 0.00 H new ATOM 0 HA THR A 223 5.920 -1.066 10.404 1.00 0.00 H new ATOM 0 HB THR A 223 7.740 -1.577 7.994 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.380 -1.380 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 223 8.678 0.656 8.516 1.00 0.00 H new ATOM 0 HG22 THR A 223 6.951 0.769 8.104 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.468 0.865 9.804 1.00 0.00 H new ATOM 844 N ALA A 224 4.913 -1.553 7.308 1.00 0.00 N ATOM 845 CA ALA A 224 3.964 -1.009 6.294 1.00 0.00 C ATOM 846 C ALA A 224 2.549 -0.937 6.866 1.00 0.00 C ATOM 847 O ALA A 224 1.927 0.100 6.865 1.00 0.00 O ATOM 848 CB ALA A 224 3.952 -1.915 5.064 1.00 0.00 C ATOM 0 H ALA A 224 5.362 -2.434 7.057 1.00 0.00 H new ATOM 0 HA ALA A 224 4.292 -0.006 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.258 -1.515 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.953 -1.960 4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.636 -2.917 5.353 1.00 0.00 H new ATOM 854 N PHE A 225 2.027 -2.030 7.347 1.00 0.00 N ATOM 855 CA PHE A 225 0.646 -2.004 7.907 1.00 0.00 C ATOM 856 C PHE A 225 0.569 -1.016 9.075 1.00 0.00 C ATOM 857 O PHE A 225 -0.412 -0.314 9.228 1.00 0.00 O ATOM 858 CB PHE A 225 0.216 -3.395 8.374 1.00 0.00 C ATOM 859 CG PHE A 225 -1.168 -3.304 8.967 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.243 -2.908 8.165 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.381 -3.612 10.317 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.528 -2.819 8.708 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.665 -3.524 10.860 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.740 -3.127 10.057 1.00 0.00 C ATOM 0 H PHE A 225 2.493 -2.937 7.377 1.00 0.00 H new ATOM 0 HA PHE A 225 -0.033 -1.682 7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.222 -4.093 7.537 1.00 0.00 H new ATOM 0 HB3 PHE A 225 0.919 -3.778 9.114 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -2.080 -2.670 7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.552 -3.918 10.938 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.357 -2.513 8.087 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.828 -3.763 11.901 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.732 -3.058 10.478 1.00 0.00 H new ATOM 874 N ARG A 226 1.579 -0.958 9.909 1.00 0.00 N ATOM 875 CA ARG A 226 1.519 -0.010 11.063 1.00 0.00 C ATOM 876 C ARG A 226 1.363 1.401 10.487 1.00 0.00 C ATOM 877 O ARG A 226 0.577 2.192 10.963 1.00 0.00 O ATOM 878 CB ARG A 226 2.828 -0.078 11.875 1.00 0.00 C ATOM 879 CG ARG A 226 2.720 0.790 13.152 1.00 0.00 C ATOM 880 CD ARG A 226 2.126 -0.029 14.307 1.00 0.00 C ATOM 881 NE ARG A 226 3.185 -0.908 14.884 1.00 0.00 N ATOM 882 CZ ARG A 226 3.042 -1.413 16.077 1.00 0.00 C ATOM 883 NH1 ARG A 226 1.950 -1.193 16.752 1.00 0.00 N ATOM 884 NH2 ARG A 226 3.985 -2.157 16.587 1.00 0.00 N ATOM 0 H ARG A 226 2.430 -1.517 9.842 1.00 0.00 H new ATOM 0 HA ARG A 226 0.687 -0.266 11.719 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.040 -1.112 12.148 1.00 0.00 H new ATOM 0 HB3 ARG A 226 3.661 0.268 11.263 1.00 0.00 H new ATOM 0 HG2 ARG A 226 3.706 1.162 13.431 1.00 0.00 H new ATOM 0 HG3 ARG A 226 2.094 1.661 12.956 1.00 0.00 H new ATOM 0 HD2 ARG A 226 1.732 0.637 15.075 1.00 0.00 H new ATOM 0 HD3 ARG A 226 1.292 -0.632 13.949 1.00 0.00 H new ATOM 0 HE ARG A 226 4.024 -1.114 14.342 1.00 0.00 H new ATOM 0 HH11 ARG A 226 1.206 -0.625 16.347 1.00 0.00 H new ATOM 0 HH12 ARG A 226 1.839 -1.589 17.686 1.00 0.00 H new ATOM 0 HH21 ARG A 226 4.833 -2.343 16.052 1.00 0.00 H new ATOM 0 HH22 ARG A 226 3.874 -2.553 17.521 1.00 0.00 H new ATOM 898 N ARG A 227 2.095 1.704 9.445 1.00 0.00 N ATOM 899 CA ARG A 227 1.992 3.042 8.795 1.00 0.00 C ATOM 900 C ARG A 227 0.626 3.190 8.124 1.00 0.00 C ATOM 901 O ARG A 227 0.024 4.245 8.139 1.00 0.00 O ATOM 902 CB ARG A 227 3.090 3.180 7.751 1.00 0.00 C ATOM 903 CG ARG A 227 3.096 4.614 7.224 1.00 0.00 C ATOM 904 CD ARG A 227 4.268 4.811 6.261 1.00 0.00 C ATOM 905 NE ARG A 227 5.531 5.035 7.019 1.00 0.00 N ATOM 906 CZ ARG A 227 6.685 4.869 6.412 1.00 0.00 C ATOM 907 NH1 ARG A 227 6.720 4.462 5.167 1.00 0.00 N ATOM 908 NH2 ARG A 227 7.803 5.089 7.048 1.00 0.00 N ATOM 0 H ARG A 227 2.768 1.071 9.013 1.00 0.00 H new ATOM 0 HA ARG A 227 2.104 3.820 9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 227 4.058 2.935 8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 227 2.923 2.479 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 227 2.156 4.827 6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 227 3.175 5.315 8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 227 4.371 3.935 5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 227 4.072 5.662 5.609 1.00 0.00 H new ATOM 0 HE ARG A 227 5.500 5.314 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 227 5.851 4.274 4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 227 7.616 4.334 4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 227 7.785 5.392 8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 227 8.695 4.958 6.571 1.00 0.00 H new ATOM 922 N ILE A 228 0.139 2.143 7.519 1.00 0.00 N ATOM 923 CA ILE A 228 -1.186 2.227 6.839 1.00 0.00 C ATOM 924 C ILE A 228 -2.259 2.551 7.881 1.00 0.00 C ATOM 925 O ILE A 228 -3.174 3.313 7.641 1.00 0.00 O ATOM 926 CB ILE A 228 -1.524 0.884 6.181 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.475 0.538 5.090 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.932 0.955 5.570 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.915 1.032 3.708 1.00 0.00 C ATOM 0 H ILE A 228 0.599 1.234 7.465 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.150 3.004 6.076 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.501 0.098 6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.483 0.988 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.323 -0.541 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.174 0.001 5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.658 1.169 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.964 1.746 4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.156 0.772 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.860 0.562 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -1.042 2.114 3.732 1.00 0.00 H new ATOM 941 N GLN A 229 -2.153 1.956 9.034 1.00 0.00 N ATOM 942 CA GLN A 229 -3.160 2.196 10.103 1.00 0.00 C ATOM 943 C GLN A 229 -3.062 3.636 10.599 1.00 0.00 C ATOM 944 O GLN A 229 -4.020 4.204 11.085 1.00 0.00 O ATOM 945 CB GLN A 229 -2.894 1.241 11.271 1.00 0.00 C ATOM 946 CG GLN A 229 -3.962 1.433 12.352 1.00 0.00 C ATOM 947 CD GLN A 229 -3.681 0.471 13.506 1.00 0.00 C ATOM 948 OE1 GLN A 229 -4.484 -0.393 13.805 1.00 0.00 O ATOM 949 NE2 GLN A 229 -2.553 0.575 14.155 1.00 0.00 N ATOM 0 H GLN A 229 -1.406 1.308 9.284 1.00 0.00 H new ATOM 0 HA GLN A 229 -4.158 2.023 9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -2.902 0.210 10.918 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -1.904 1.428 11.687 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -3.955 2.463 12.710 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -4.953 1.246 11.939 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -1.883 1.301 13.900 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -2.341 -0.070 14.917 1.00 0.00 H new ATOM 958 N GLN A 230 -1.905 4.223 10.516 1.00 0.00 N ATOM 959 CA GLN A 230 -1.742 5.616 11.012 1.00 0.00 C ATOM 960 C GLN A 230 -2.220 6.619 9.960 1.00 0.00 C ATOM 961 O GLN A 230 -2.224 7.815 10.196 1.00 0.00 O ATOM 962 CB GLN A 230 -0.274 5.856 11.330 1.00 0.00 C ATOM 963 CG GLN A 230 0.109 5.063 12.575 1.00 0.00 C ATOM 964 CD GLN A 230 1.629 5.124 12.773 1.00 0.00 C ATOM 965 OE1 GLN A 230 2.359 5.536 11.892 1.00 0.00 O ATOM 966 NE2 GLN A 230 2.139 4.721 13.899 1.00 0.00 N ATOM 0 H GLN A 230 -1.063 3.799 10.126 1.00 0.00 H new ATOM 0 HA GLN A 230 -2.343 5.752 11.911 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.347 5.553 10.487 1.00 0.00 H new ATOM 0 HB3 GLN A 230 -0.094 6.919 11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 230 -0.399 5.470 13.449 1.00 0.00 H new ATOM 0 HG3 GLN A 230 -0.214 4.027 12.473 1.00 0.00 H new ATOM 0 HE21 GLN A 230 1.530 4.375 14.640 1.00 0.00 H new ATOM 0 HE22 GLN A 230 3.149 4.751 14.041 1.00 0.00 H new ATOM 975 N LEU A 231 -2.618 6.150 8.799 1.00 0.00 N ATOM 976 CA LEU A 231 -3.080 7.100 7.755 1.00 0.00 C ATOM 977 C LEU A 231 -4.356 7.770 8.253 1.00 0.00 C ATOM 978 O LEU A 231 -4.314 8.843 8.818 1.00 0.00 O ATOM 979 CB LEU A 231 -3.367 6.370 6.430 1.00 0.00 C ATOM 980 CG LEU A 231 -2.080 5.787 5.834 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.438 4.908 4.623 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.140 6.915 5.373 1.00 0.00 C ATOM 0 H LEU A 231 -2.640 5.164 8.539 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.300 7.839 7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -4.088 5.570 6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.820 7.062 5.720 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.576 5.194 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.527 4.490 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -3.093 4.098 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -2.948 5.512 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.232 6.483 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.640 7.518 4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.882 7.544 6.225 1.00 0.00 H new ATOM 994 N ASP A 232 -5.488 7.149 8.076 1.00 0.00 N ATOM 995 CA ASP A 232 -6.738 7.785 8.572 1.00 0.00 C ATOM 996 C ASP A 232 -7.951 6.888 8.329 1.00 0.00 C ATOM 997 O ASP A 232 -7.975 6.080 7.424 1.00 0.00 O ATOM 998 CB ASP A 232 -6.964 9.118 7.839 1.00 0.00 C ATOM 999 CG ASP A 232 -6.620 8.965 6.358 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -5.441 8.919 6.047 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -7.539 8.906 5.559 1.00 0.00 O ATOM 0 H ASP A 232 -5.602 6.245 7.618 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.627 7.948 9.644 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -8.002 9.432 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -6.347 9.897 8.286 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.981 7.077 9.112 1.00 0.00 N ATOM 1007 CA GLU A 233 -10.234 6.300 8.916 1.00 0.00 C ATOM 1008 C GLU A 233 -10.780 6.623 7.518 1.00 0.00 C ATOM 1009 O GLU A 233 -11.313 5.770 6.836 1.00 0.00 O ATOM 1010 CB GLU A 233 -11.247 6.710 9.983 1.00 0.00 C ATOM 1011 CG GLU A 233 -10.793 6.199 11.358 1.00 0.00 C ATOM 1012 CD GLU A 233 -10.806 4.666 11.390 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -11.862 4.099 11.162 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -9.761 4.086 11.647 1.00 0.00 O ATOM 0 H GLU A 233 -9.005 7.743 9.884 1.00 0.00 H new ATOM 0 HA GLU A 233 -10.045 5.230 9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -11.348 7.795 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -12.229 6.303 9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -9.790 6.565 11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -11.451 6.591 12.134 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.639 7.850 7.080 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.134 8.231 5.724 1.00 0.00 C ATOM 1023 C ALA A 234 -10.416 7.377 4.685 1.00 0.00 C ATOM 1024 O ALA A 234 -10.968 7.038 3.659 1.00 0.00 O ATOM 1025 CB ALA A 234 -10.828 9.709 5.458 1.00 0.00 C ATOM 0 H ALA A 234 -10.201 8.606 7.607 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.211 8.071 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.191 9.983 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.324 10.324 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -9.751 9.872 5.508 1.00 0.00 H new ATOM 1031 N MET A 235 -9.193 7.022 4.941 1.00 0.00 N ATOM 1032 CA MET A 235 -8.461 6.177 3.966 1.00 0.00 C ATOM 1033 C MET A 235 -9.224 4.859 3.797 1.00 0.00 C ATOM 1034 O MET A 235 -9.350 4.338 2.710 1.00 0.00 O ATOM 1035 CB MET A 235 -7.045 5.925 4.493 1.00 0.00 C ATOM 1036 CG MET A 235 -6.173 5.290 3.401 1.00 0.00 C ATOM 1037 SD MET A 235 -6.666 3.567 3.121 1.00 0.00 S ATOM 1038 CE MET A 235 -6.169 2.898 4.727 1.00 0.00 C ATOM 0 H MET A 235 -8.671 7.279 5.779 1.00 0.00 H new ATOM 0 HA MET A 235 -8.388 6.672 2.997 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.600 6.864 4.822 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.085 5.269 5.363 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.268 5.857 2.475 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.124 5.332 3.694 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.531 2.027 4.577 1.00 0.00 H new ATOM 0 HE2 MET A 235 -5.621 3.658 5.284 1.00 0.00 H new ATOM 0 HE3 MET A 235 -7.056 2.605 5.289 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.745 4.311 4.862 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.497 3.033 4.727 1.00 0.00 C ATOM 1050 C VAL A 236 -11.720 3.276 3.826 1.00 0.00 C ATOM 1051 O VAL A 236 -12.052 2.478 2.971 1.00 0.00 O ATOM 1052 CB VAL A 236 -10.949 2.561 6.115 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.836 1.329 5.967 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.726 2.186 6.962 1.00 0.00 C ATOM 0 H VAL A 236 -9.683 4.688 5.808 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.864 2.265 4.283 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.501 3.366 6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.158 0.992 6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.710 1.580 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.275 0.533 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -10.054 1.852 7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.176 1.384 6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -9.079 3.056 7.071 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.372 4.386 3.999 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.546 4.713 3.146 1.00 0.00 C ATOM 1066 C VAL A 237 -13.042 5.020 1.734 1.00 0.00 C ATOM 1067 O VAL A 237 -13.718 4.800 0.750 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.262 5.932 3.726 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.422 6.326 2.814 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.781 5.589 5.121 1.00 0.00 C ATOM 0 H VAL A 237 -12.141 5.089 4.701 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.244 3.877 3.113 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.570 6.771 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -15.932 7.196 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -15.039 6.568 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.124 5.496 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.293 6.454 5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.476 4.752 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -13.944 5.315 5.763 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.843 5.534 1.645 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.248 5.881 0.318 1.00 0.00 C ATOM 1082 C ALA A 238 -11.135 4.619 -0.541 1.00 0.00 C ATOM 1083 O ALA A 238 -11.003 4.686 -1.747 1.00 0.00 O ATOM 1084 CB ALA A 238 -9.854 6.477 0.539 1.00 0.00 C ATOM 0 H ALA A 238 -11.242 5.731 2.445 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.883 6.605 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.411 6.734 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -9.935 7.375 1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.223 5.747 1.046 1.00 0.00 H new