USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 617 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 183 ASN :FLIP amide:sc= -1.14 F(o=-3.9,f=-2.9) USER MOD Set 1.2: B 2 THR OG1 : rot -170:sc= -1.73! USER MOD Set 2.1: A 155 GLN : amide:sc= 1.64 K(o=2.6,f=-1.4) USER MOD Set 2.2: A 198 CYS SG : rot -97:sc= -0.489! USER MOD Set 2.3: A 218 CYS SG : rot 167:sc= 1.47 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot -108:sc= -1.13 USER MOD Single : A 169 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 170 LYS NZ :NH3+ 161:sc= 1.09 (180deg=0.817) USER MOD Single : A 171 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 176 GLN : amide:sc= 0.756 K(o=0.76,f=-0.15) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 182 LYS NZ :NH3+ -171:sc= 1.99 (180deg=1.82) USER MOD Single : A 186 THR OG1 : rot 68:sc= 0.63 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 192 GLN : amide:sc=-0.00695 K(o=-0.007,f=-1) USER MOD Single : A 193 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 195 ASN : amide:sc= -2.64! C(o=-2.6!,f=-4.5!) USER MOD Single : A 199 LYS NZ :NH3+ 148:sc= 0.816 (180deg=0.225) USER MOD Single : A 200 THR OG1 : rot 65:sc= 1.08 USER MOD Single : A 203 LYS NZ :NH3+ -169:sc= 0.536 (180deg=0.414) USER MOD Single : A 210 THR OG1 : rot -41:sc= 0.47 USER MOD Single : A 214 MET CE :methyl 180:sc= -1.53 (180deg=-1.53) USER MOD Single : A 215 MET CE :methyl -163:sc= -0.29 (180deg=-1.29) USER MOD Single : A 216 THR OG1 : rot 81:sc= 1.26 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 110:sc= -0.183 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 8.903 8.993 5.213 1.00 0.00 N ATOM 171 CA ILE A 150 8.385 7.704 4.766 1.00 0.00 C ATOM 172 C ILE A 150 9.455 6.835 4.099 1.00 0.00 C ATOM 173 O ILE A 150 9.301 5.619 4.010 1.00 0.00 O ATOM 174 CB ILE A 150 7.191 7.894 3.798 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.400 6.594 3.669 1.00 0.00 C ATOM 176 CG2 ILE A 150 7.660 8.369 2.428 1.00 0.00 C ATOM 177 CD1 ILE A 150 5.774 6.147 4.970 1.00 0.00 C ATOM 0 HA ILE A 150 8.049 7.183 5.662 1.00 0.00 H new ATOM 0 HB ILE A 150 6.540 8.663 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.617 6.725 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 150 7.061 5.809 3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 150 6.799 8.493 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.178 9.323 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.339 7.632 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.227 5.218 4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.555 5.985 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.088 6.915 5.327 1.00 0.00 H new ATOM 189 N LEU A 151 10.539 7.455 3.645 1.00 0.00 N ATOM 190 CA LEU A 151 11.619 6.721 2.988 1.00 0.00 C ATOM 191 C LEU A 151 12.336 5.787 3.957 1.00 0.00 C ATOM 192 O LEU A 151 12.986 4.829 3.537 1.00 0.00 O ATOM 193 CB LEU A 151 12.626 7.689 2.376 1.00 0.00 C ATOM 194 CG LEU A 151 12.107 8.505 1.191 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.202 9.412 0.651 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.588 7.585 0.097 1.00 0.00 C ATOM 0 H LEU A 151 10.695 8.460 3.719 1.00 0.00 H new ATOM 0 HA LEU A 151 11.168 6.117 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 151 12.962 8.377 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.499 7.123 2.052 1.00 0.00 H new ATOM 0 HG LEU A 151 11.282 9.128 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 151 12.817 9.986 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 151 13.529 10.095 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 151 14.047 8.807 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 151 11.223 8.183 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.394 6.937 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.774 6.975 0.490 1.00 0.00 H new ATOM 208 N ASP A 152 12.218 6.073 5.246 1.00 0.00 N ATOM 209 CA ASP A 152 12.857 5.257 6.274 1.00 0.00 C ATOM 210 C ASP A 152 11.957 4.088 6.649 1.00 0.00 C ATOM 211 O ASP A 152 12.417 3.060 7.148 1.00 0.00 O ATOM 212 CB ASP A 152 13.157 6.109 7.511 1.00 0.00 C ATOM 213 CG ASP A 152 13.859 5.335 8.608 1.00 0.00 C ATOM 214 OD1 ASP A 152 13.189 4.941 9.582 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.094 5.147 8.518 1.00 0.00 O ATOM 0 H ASP A 152 11.685 6.864 5.607 1.00 0.00 H new ATOM 0 HA ASP A 152 13.795 4.866 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 152 13.776 6.957 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 152 12.223 6.515 7.901 1.00 0.00 H new ATOM 221 N ILE A 153 10.670 4.248 6.368 1.00 0.00 N ATOM 222 CA ILE A 153 9.677 3.246 6.730 1.00 0.00 C ATOM 223 C ILE A 153 9.726 2.064 5.765 1.00 0.00 C ATOM 224 O ILE A 153 9.136 2.096 4.685 1.00 0.00 O ATOM 225 CB ILE A 153 8.251 3.847 6.754 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.196 5.050 7.705 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.228 2.796 7.167 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.591 4.727 9.131 1.00 0.00 C ATOM 0 H ILE A 153 10.289 5.064 5.889 1.00 0.00 H new ATOM 0 HA ILE A 153 9.918 2.896 7.734 1.00 0.00 H new ATOM 0 HB ILE A 153 8.005 4.185 5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 153 8.854 5.831 7.325 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.185 5.456 7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.233 3.241 7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.249 1.969 6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.469 2.425 8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.526 5.629 9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.918 3.969 9.532 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.614 4.350 9.149 1.00 0.00 H new ATOM 240 N ARG A 154 10.463 1.036 6.159 1.00 0.00 N ATOM 241 CA ARG A 154 10.615 -0.166 5.350 1.00 0.00 C ATOM 242 C ARG A 154 10.290 -1.397 6.188 1.00 0.00 C ATOM 243 O ARG A 154 10.535 -1.416 7.396 1.00 0.00 O ATOM 244 CB ARG A 154 12.037 -0.237 4.794 1.00 0.00 C ATOM 245 CG ARG A 154 12.415 1.009 4.013 1.00 0.00 C ATOM 246 CD ARG A 154 13.882 1.029 3.632 1.00 0.00 C ATOM 247 NE ARG A 154 14.266 2.325 3.078 1.00 0.00 N ATOM 248 CZ ARG A 154 15.484 2.626 2.638 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.456 1.724 2.661 1.00 0.00 N ATOM 250 NH2 ARG A 154 15.729 3.839 2.167 1.00 0.00 N ATOM 0 H ARG A 154 10.970 1.010 7.044 1.00 0.00 H new ATOM 0 HA ARG A 154 9.921 -0.133 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.739 -0.374 5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.128 -1.110 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 154 11.807 1.067 3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.185 1.892 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.491 0.810 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.082 0.245 2.902 1.00 0.00 H new ATOM 0 HE ARG A 154 13.550 3.049 3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 154 16.273 0.787 3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 154 17.386 1.968 2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 154 14.985 4.537 2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 154 16.661 4.076 1.828 1.00 0.00 H new ATOM 264 N GLN A 155 9.735 -2.416 5.550 1.00 0.00 N ATOM 265 CA GLN A 155 9.204 -3.572 6.264 1.00 0.00 C ATOM 266 C GLN A 155 10.276 -4.630 6.522 1.00 0.00 C ATOM 267 O GLN A 155 11.125 -4.893 5.670 1.00 0.00 O ATOM 268 CB GLN A 155 8.061 -4.185 5.462 1.00 0.00 C ATOM 269 CG GLN A 155 7.255 -5.214 6.231 1.00 0.00 C ATOM 270 CD GLN A 155 6.325 -6.002 5.335 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.864 -5.511 4.306 1.00 0.00 O ATOM 272 NE2 GLN A 155 6.044 -7.231 5.723 1.00 0.00 N ATOM 0 H GLN A 155 9.639 -2.468 4.536 1.00 0.00 H new ATOM 0 HA GLN A 155 8.842 -3.227 7.233 1.00 0.00 H new ATOM 0 HB2 GLN A 155 7.394 -3.389 5.131 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.469 -4.653 4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.934 -5.899 6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.673 -4.712 7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 155 6.448 -7.599 6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 155 5.422 -7.813 5.162 1.00 0.00 H new ATOM 281 N GLY A 156 10.220 -5.239 7.703 1.00 0.00 N ATOM 282 CA GLY A 156 11.141 -6.306 8.040 1.00 0.00 C ATOM 283 C GLY A 156 10.518 -7.680 7.837 1.00 0.00 C ATOM 284 O GLY A 156 9.306 -7.784 7.654 1.00 0.00 O ATOM 0 H GLY A 156 9.548 -5.009 8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 156 12.037 -6.219 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 156 11.455 -6.200 9.078 1.00 0.00 H new ATOM 288 N PRO A 157 11.323 -8.757 7.866 1.00 0.00 N ATOM 289 CA PRO A 157 10.834 -10.124 7.625 1.00 0.00 C ATOM 290 C PRO A 157 9.928 -10.643 8.744 1.00 0.00 C ATOM 291 O PRO A 157 8.995 -11.407 8.493 1.00 0.00 O ATOM 292 CB PRO A 157 12.118 -10.956 7.540 1.00 0.00 C ATOM 293 CG PRO A 157 13.139 -10.174 8.295 1.00 0.00 C ATOM 294 CD PRO A 157 12.773 -8.723 8.132 1.00 0.00 C ATOM 0 HA PRO A 157 10.216 -10.174 6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 157 11.977 -11.945 7.977 1.00 0.00 H new ATOM 0 HB3 PRO A 157 12.423 -11.106 6.504 1.00 0.00 H new ATOM 0 HG2 PRO A 157 13.144 -10.457 9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.140 -10.367 7.908 1.00 0.00 H new ATOM 0 HD2 PRO A 157 13.002 -8.149 9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.320 -8.262 7.310 1.00 0.00 H new ATOM 302 N LYS A 158 10.195 -10.222 9.976 1.00 0.00 N ATOM 303 CA LYS A 158 9.377 -10.625 11.115 1.00 0.00 C ATOM 304 C LYS A 158 8.299 -9.585 11.366 1.00 0.00 C ATOM 305 O LYS A 158 7.571 -9.643 12.357 1.00 0.00 O ATOM 306 CB LYS A 158 10.227 -10.771 12.380 1.00 0.00 C ATOM 307 CG LYS A 158 11.354 -11.783 12.271 1.00 0.00 C ATOM 308 CD LYS A 158 12.128 -11.865 13.576 1.00 0.00 C ATOM 309 CE LYS A 158 13.306 -12.818 13.482 1.00 0.00 C ATOM 310 NZ LYS A 158 14.047 -12.899 14.768 1.00 0.00 N ATOM 0 H LYS A 158 10.970 -9.603 10.211 1.00 0.00 H new ATOM 0 HA LYS A 158 8.925 -11.589 10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 158 10.652 -9.799 12.630 1.00 0.00 H new ATOM 0 HB3 LYS A 158 9.578 -11.058 13.207 1.00 0.00 H new ATOM 0 HG2 LYS A 158 10.947 -12.763 12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 158 12.026 -11.501 11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 158 12.486 -10.872 13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 158 11.460 -12.192 14.373 1.00 0.00 H new ATOM 0 HE2 LYS A 158 12.951 -13.810 13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 158 13.981 -12.487 12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 14.845 -13.559 14.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 14.406 -11.957 15.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 13.409 -13.239 15.516 1.00 0.00 H new ATOM 324 N GLU A 159 8.208 -8.634 10.456 1.00 0.00 N ATOM 325 CA GLU A 159 7.341 -7.495 10.633 1.00 0.00 C ATOM 326 C GLU A 159 6.100 -7.628 9.760 1.00 0.00 C ATOM 327 O GLU A 159 6.197 -7.690 8.533 1.00 0.00 O ATOM 328 CB GLU A 159 8.118 -6.229 10.290 1.00 0.00 C ATOM 329 CG GLU A 159 7.506 -4.958 10.831 1.00 0.00 C ATOM 330 CD GLU A 159 8.567 -4.011 11.337 1.00 0.00 C ATOM 331 OE1 GLU A 159 9.156 -3.276 10.520 1.00 0.00 O ATOM 332 OE2 GLU A 159 8.815 -3.990 12.560 1.00 0.00 O ATOM 0 H GLU A 159 8.731 -8.633 9.580 1.00 0.00 H new ATOM 0 HA GLU A 159 7.008 -7.443 11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 159 9.133 -6.323 10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 159 8.197 -6.148 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 159 6.924 -4.471 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 159 6.816 -5.200 11.639 1.00 0.00 H new ATOM 340 N PRO A 160 4.919 -7.687 10.387 1.00 0.00 N ATOM 341 CA PRO A 160 3.653 -7.843 9.671 1.00 0.00 C ATOM 342 C PRO A 160 3.297 -6.603 8.861 1.00 0.00 C ATOM 343 O PRO A 160 3.548 -5.469 9.276 1.00 0.00 O ATOM 344 CB PRO A 160 2.634 -8.062 10.791 1.00 0.00 C ATOM 345 CG PRO A 160 3.238 -7.415 11.987 1.00 0.00 C ATOM 346 CD PRO A 160 4.724 -7.592 11.846 1.00 0.00 C ATOM 0 HA PRO A 160 3.689 -8.658 8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.672 -7.615 10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 160 2.457 -9.124 10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.973 -6.359 12.035 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.875 -7.876 12.906 1.00 0.00 H new ATOM 0 HD2 PRO A 160 5.271 -6.750 12.271 1.00 0.00 H new ATOM 0 HD3 PRO A 160 5.072 -8.489 12.357 1.00 0.00 H new ATOM 354 N PHE A 161 2.690 -6.842 7.703 1.00 0.00 N ATOM 355 CA PHE A 161 2.314 -5.777 6.781 1.00 0.00 C ATOM 356 C PHE A 161 1.312 -4.820 7.425 1.00 0.00 C ATOM 357 O PHE A 161 1.222 -3.653 7.044 1.00 0.00 O ATOM 358 CB PHE A 161 1.727 -6.386 5.502 1.00 0.00 C ATOM 359 CG PHE A 161 1.346 -5.377 4.457 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.318 -4.745 3.696 1.00 0.00 C ATOM 361 CD2 PHE A 161 0.016 -5.062 4.231 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.968 -3.817 2.732 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.338 -4.137 3.271 1.00 0.00 C ATOM 364 CZ PHE A 161 0.636 -3.514 2.520 1.00 0.00 C ATOM 0 H PHE A 161 2.445 -7.777 7.378 1.00 0.00 H new ATOM 0 HA PHE A 161 3.207 -5.204 6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 161 2.454 -7.077 5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.846 -6.972 5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.360 -4.980 3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.753 -5.547 4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.734 -3.330 2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.379 -3.901 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.359 -2.791 1.767 1.00 0.00 H new ATOM 374 N ARG A 162 0.575 -5.313 8.413 1.00 0.00 N ATOM 375 CA ARG A 162 -0.406 -4.492 9.114 1.00 0.00 C ATOM 376 C ARG A 162 0.296 -3.404 9.924 1.00 0.00 C ATOM 377 O ARG A 162 -0.113 -2.245 9.907 1.00 0.00 O ATOM 378 CB ARG A 162 -1.276 -5.351 10.032 1.00 0.00 C ATOM 379 CG ARG A 162 -1.873 -6.568 9.346 1.00 0.00 C ATOM 380 CD ARG A 162 -2.956 -7.216 10.197 1.00 0.00 C ATOM 381 NE ARG A 162 -2.498 -7.512 11.554 1.00 0.00 N ATOM 382 CZ ARG A 162 -3.245 -7.333 12.642 1.00 0.00 C ATOM 383 NH1 ARG A 162 -4.497 -6.907 12.528 1.00 0.00 N ATOM 384 NH2 ARG A 162 -2.746 -7.606 13.838 1.00 0.00 N ATOM 0 H ARG A 162 0.637 -6.275 8.747 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.049 -4.021 8.371 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -0.677 -5.681 10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.084 -4.737 10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -2.293 -6.275 8.384 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.086 -7.294 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.821 -6.554 10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.286 -8.138 9.719 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.553 -7.876 11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.889 -6.716 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -5.067 -6.771 13.363 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -1.791 -7.953 13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -3.317 -7.469 14.672 1.00 0.00 H new ATOM 398 N ASP A 163 1.364 -3.789 10.616 1.00 0.00 N ATOM 399 CA ASP A 163 2.159 -2.844 11.403 1.00 0.00 C ATOM 400 C ASP A 163 2.857 -1.848 10.487 1.00 0.00 C ATOM 401 O ASP A 163 3.025 -0.675 10.825 1.00 0.00 O ATOM 402 CB ASP A 163 3.202 -3.591 12.237 1.00 0.00 C ATOM 403 CG ASP A 163 4.080 -2.660 13.056 1.00 0.00 C ATOM 404 OD1 ASP A 163 5.140 -2.230 12.553 1.00 0.00 O ATOM 405 OD2 ASP A 163 3.719 -2.363 14.215 1.00 0.00 O ATOM 0 H ASP A 163 1.702 -4.751 10.649 1.00 0.00 H new ATOM 0 HA ASP A 163 1.487 -2.305 12.071 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.695 -4.286 12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.831 -4.187 11.575 1.00 0.00 H new ATOM 411 N TYR A 164 3.251 -2.336 9.319 1.00 0.00 N ATOM 412 CA TYR A 164 3.930 -1.524 8.324 1.00 0.00 C ATOM 413 C TYR A 164 3.036 -0.371 7.877 1.00 0.00 C ATOM 414 O TYR A 164 3.419 0.793 7.977 1.00 0.00 O ATOM 415 CB TYR A 164 4.331 -2.412 7.139 1.00 0.00 C ATOM 416 CG TYR A 164 4.973 -1.684 5.979 1.00 0.00 C ATOM 417 CD1 TYR A 164 6.239 -1.128 6.095 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.310 -1.560 4.763 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.829 -0.472 5.032 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.894 -0.907 3.696 1.00 0.00 C ATOM 421 CZ TYR A 164 6.151 -0.363 3.836 1.00 0.00 C ATOM 422 OH TYR A 164 6.733 0.291 2.776 1.00 0.00 O ATOM 0 H TYR A 164 3.108 -3.306 9.036 1.00 0.00 H new ATOM 0 HA TYR A 164 4.831 -1.089 8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 164 5.022 -3.176 7.495 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.443 -2.930 6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.772 -1.209 7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.322 -1.981 4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.816 -0.047 5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.368 -0.823 2.757 1.00 0.00 H new ATOM 0 HH TYR A 164 6.283 1.150 2.635 1.00 0.00 H new ATOM 432 N VAL A 165 1.832 -0.701 7.423 1.00 0.00 N ATOM 433 CA VAL A 165 0.886 0.299 6.939 1.00 0.00 C ATOM 434 C VAL A 165 0.392 1.220 8.054 1.00 0.00 C ATOM 435 O VAL A 165 0.201 2.418 7.827 1.00 0.00 O ATOM 436 CB VAL A 165 -0.315 -0.375 6.236 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.520 0.547 6.163 1.00 0.00 C ATOM 438 CG2 VAL A 165 0.085 -0.801 4.841 1.00 0.00 C ATOM 0 H VAL A 165 1.486 -1.660 7.380 1.00 0.00 H new ATOM 0 HA VAL A 165 1.423 0.915 6.218 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.599 -1.246 6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.341 0.034 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.827 0.825 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.258 1.445 5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.763 -1.276 4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.395 0.073 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.912 -1.508 4.900 1.00 0.00 H new ATOM 448 N ASP A 166 0.206 0.668 9.253 1.00 0.00 N ATOM 449 CA ASP A 166 -0.333 1.432 10.380 1.00 0.00 C ATOM 450 C ASP A 166 0.443 2.729 10.589 1.00 0.00 C ATOM 451 O ASP A 166 -0.144 3.804 10.677 1.00 0.00 O ATOM 452 CB ASP A 166 -0.292 0.595 11.664 1.00 0.00 C ATOM 453 CG ASP A 166 -0.951 1.287 12.845 1.00 0.00 C ATOM 454 OD1 ASP A 166 -0.270 2.064 13.553 1.00 0.00 O ATOM 455 OD2 ASP A 166 -2.154 1.047 13.083 1.00 0.00 O ATOM 0 H ASP A 166 0.420 -0.305 9.470 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.368 1.681 10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.789 -0.359 11.485 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.746 0.372 11.913 1.00 0.00 H new ATOM 461 N ARG A 167 1.763 2.624 10.633 1.00 0.00 N ATOM 462 CA ARG A 167 2.617 3.797 10.802 1.00 0.00 C ATOM 463 C ARG A 167 2.938 4.451 9.462 1.00 0.00 C ATOM 464 O ARG A 167 3.137 5.663 9.393 1.00 0.00 O ATOM 465 CB ARG A 167 3.904 3.413 11.522 1.00 0.00 C ATOM 466 CG ARG A 167 4.595 2.218 10.902 1.00 0.00 C ATOM 467 CD ARG A 167 5.820 1.807 11.686 1.00 0.00 C ATOM 468 NE ARG A 167 6.055 0.378 11.552 1.00 0.00 N ATOM 469 CZ ARG A 167 7.159 -0.166 11.067 1.00 0.00 C ATOM 470 NH1 ARG A 167 8.179 0.590 10.674 1.00 0.00 N ATOM 471 NH2 ARG A 167 7.232 -1.479 10.984 1.00 0.00 N ATOM 0 H ARG A 167 2.268 1.741 10.554 1.00 0.00 H new ATOM 0 HA ARG A 167 2.072 4.522 11.406 1.00 0.00 H new ATOM 0 HB2 ARG A 167 4.585 4.264 11.515 1.00 0.00 H new ATOM 0 HB3 ARG A 167 3.678 3.194 12.566 1.00 0.00 H new ATOM 0 HG2 ARG A 167 3.898 1.381 10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 167 4.882 2.456 9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 167 6.689 2.359 11.329 1.00 0.00 H new ATOM 0 HD3 ARG A 167 5.689 2.063 12.737 1.00 0.00 H new ATOM 0 HE ARG A 167 5.312 -0.252 11.855 1.00 0.00 H new ATOM 0 HH11 ARG A 167 8.118 1.606 10.744 1.00 0.00 H new ATOM 0 HH12 ARG A 167 9.023 0.154 10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 167 6.447 -2.054 11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 167 8.073 -1.921 10.613 1.00 0.00 H new ATOM 485 N PHE A 168 2.996 3.644 8.404 1.00 0.00 N ATOM 486 CA PHE A 168 3.279 4.142 7.058 1.00 0.00 C ATOM 487 C PHE A 168 2.302 5.255 6.699 1.00 0.00 C ATOM 488 O PHE A 168 2.698 6.350 6.297 1.00 0.00 O ATOM 489 CB PHE A 168 3.168 2.992 6.045 1.00 0.00 C ATOM 490 CG PHE A 168 3.582 3.339 4.639 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.776 4.131 3.838 1.00 0.00 C ATOM 492 CD2 PHE A 168 4.777 2.868 4.116 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.149 4.445 2.549 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.154 3.178 2.822 1.00 0.00 C ATOM 495 CZ PHE A 168 4.339 3.970 2.039 1.00 0.00 C ATOM 0 H PHE A 168 2.850 2.636 8.453 1.00 0.00 H new ATOM 0 HA PHE A 168 4.292 4.543 7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 168 3.781 2.161 6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.136 2.642 6.028 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.842 4.508 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.421 2.252 4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.509 5.064 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.085 2.801 2.425 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.632 4.217 1.029 1.00 0.00 H new ATOM 505 N TYR A 169 1.024 4.959 6.875 1.00 0.00 N ATOM 506 CA TYR A 169 -0.041 5.902 6.586 1.00 0.00 C ATOM 507 C TYR A 169 0.082 7.156 7.447 1.00 0.00 C ATOM 508 O TYR A 169 -0.004 8.276 6.942 1.00 0.00 O ATOM 509 CB TYR A 169 -1.389 5.216 6.809 1.00 0.00 C ATOM 510 CG TYR A 169 -2.519 6.148 7.180 1.00 0.00 C ATOM 511 CD1 TYR A 169 -3.053 7.022 6.250 1.00 0.00 C ATOM 512 CD2 TYR A 169 -3.048 6.147 8.465 1.00 0.00 C ATOM 513 CE1 TYR A 169 -4.088 7.870 6.585 1.00 0.00 C ATOM 514 CE2 TYR A 169 -4.084 6.990 8.810 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.600 7.851 7.866 1.00 0.00 C ATOM 516 OH TYR A 169 -5.631 8.696 8.206 1.00 0.00 O ATOM 0 H TYR A 169 0.697 4.057 7.222 1.00 0.00 H new ATOM 0 HA TYR A 169 0.036 6.219 5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.663 4.679 5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -1.276 4.472 7.597 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.654 7.041 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.641 5.475 9.206 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.496 8.546 5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -4.487 6.975 9.812 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.874 8.555 9.145 1.00 0.00 H new ATOM 526 N LYS A 170 0.306 6.957 8.740 1.00 0.00 N ATOM 527 CA LYS A 170 0.406 8.064 9.685 1.00 0.00 C ATOM 528 C LYS A 170 1.599 8.954 9.352 1.00 0.00 C ATOM 529 O LYS A 170 1.558 10.165 9.567 1.00 0.00 O ATOM 530 CB LYS A 170 0.501 7.522 11.115 1.00 0.00 C ATOM 531 CG LYS A 170 -0.761 6.787 11.547 1.00 0.00 C ATOM 532 CD LYS A 170 -0.574 6.041 12.859 1.00 0.00 C ATOM 533 CE LYS A 170 -1.836 5.279 13.238 1.00 0.00 C ATOM 534 NZ LYS A 170 -1.639 4.419 14.437 1.00 0.00 N ATOM 0 H LYS A 170 0.422 6.035 9.160 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.492 8.677 9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 170 1.353 6.847 11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 170 0.689 8.348 11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -1.577 7.502 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -1.052 6.082 10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 170 0.262 5.347 12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -0.320 6.747 13.650 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -2.641 5.988 13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -2.150 4.660 12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -2.564 4.179 14.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -1.145 3.546 14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -1.070 4.931 15.141 1.00 0.00 H new ATOM 548 N THR A 171 2.644 8.351 8.797 1.00 0.00 N ATOM 549 CA THR A 171 3.821 9.095 8.377 1.00 0.00 C ATOM 550 C THR A 171 3.521 9.920 7.123 1.00 0.00 C ATOM 551 O THR A 171 3.930 11.075 7.020 1.00 0.00 O ATOM 552 CB THR A 171 5.017 8.153 8.112 1.00 0.00 C ATOM 553 OG1 THR A 171 5.237 7.306 9.250 1.00 0.00 O ATOM 554 CG2 THR A 171 6.284 8.947 7.828 1.00 0.00 C ATOM 0 H THR A 171 2.698 7.347 8.628 1.00 0.00 H new ATOM 0 HA THR A 171 4.089 9.769 9.190 1.00 0.00 H new ATOM 0 HB THR A 171 4.779 7.545 7.239 1.00 0.00 H new ATOM 0 HG1 THR A 171 4.673 6.508 9.178 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.110 8.260 7.645 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.131 9.574 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.519 9.577 8.686 1.00 0.00 H new ATOM 562 N LEU A 172 2.774 9.336 6.185 1.00 0.00 N ATOM 563 CA LEU A 172 2.427 10.023 4.937 1.00 0.00 C ATOM 564 C LEU A 172 1.593 11.276 5.185 1.00 0.00 C ATOM 565 O LEU A 172 1.622 12.216 4.385 1.00 0.00 O ATOM 566 CB LEU A 172 1.672 9.098 3.981 1.00 0.00 C ATOM 567 CG LEU A 172 2.525 8.105 3.206 1.00 0.00 C ATOM 568 CD1 LEU A 172 1.683 7.441 2.136 1.00 0.00 C ATOM 569 CD2 LEU A 172 3.734 8.791 2.584 1.00 0.00 C ATOM 0 H LEU A 172 2.398 8.391 6.264 1.00 0.00 H new ATOM 0 HA LEU A 172 3.371 10.319 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 172 0.931 8.541 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.125 9.713 3.266 1.00 0.00 H new ATOM 0 HG LEU A 172 2.893 7.346 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 172 2.295 6.730 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 172 0.849 6.916 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 172 1.298 8.199 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 172 4.326 8.058 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 172 3.398 9.571 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 172 4.344 9.236 3.370 1.00 0.00 H new ATOM 581 N ARG A 173 0.837 11.288 6.275 1.00 0.00 N ATOM 582 CA ARG A 173 0.057 12.466 6.634 1.00 0.00 C ATOM 583 C ARG A 173 0.995 13.616 6.991 1.00 0.00 C ATOM 584 O ARG A 173 0.735 14.774 6.665 1.00 0.00 O ATOM 585 CB ARG A 173 -0.864 12.192 7.824 1.00 0.00 C ATOM 586 CG ARG A 173 -1.560 10.844 7.802 1.00 0.00 C ATOM 587 CD ARG A 173 -2.662 10.785 8.841 1.00 0.00 C ATOM 588 NE ARG A 173 -2.209 11.261 10.149 1.00 0.00 N ATOM 589 CZ ARG A 173 -2.962 11.258 11.248 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.193 10.756 11.220 1.00 0.00 N ATOM 591 NH2 ARG A 173 -2.476 11.760 12.376 1.00 0.00 N ATOM 0 H ARG A 173 0.747 10.504 6.921 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.558 12.729 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -0.279 12.267 8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -1.622 12.974 7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.979 10.663 6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -0.834 10.053 7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.507 11.388 8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -3.019 9.759 8.932 1.00 0.00 H new ATOM 0 HE ARG A 173 -1.256 11.618 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -4.567 10.370 10.353 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -4.764 10.757 12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -1.532 12.145 12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -3.047 11.761 13.221 1.00 0.00 H new ATOM 605 N ALA A 174 2.101 13.275 7.646 1.00 0.00 N ATOM 606 CA ALA A 174 3.055 14.267 8.127 1.00 0.00 C ATOM 607 C ALA A 174 4.110 14.590 7.071 1.00 0.00 C ATOM 608 O ALA A 174 4.791 15.613 7.160 1.00 0.00 O ATOM 609 CB ALA A 174 3.717 13.773 9.406 1.00 0.00 C ATOM 0 H ALA A 174 2.359 12.311 7.857 1.00 0.00 H new ATOM 0 HA ALA A 174 2.509 15.187 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.428 14.519 9.759 1.00 0.00 H new ATOM 0 HB2 ALA A 174 2.956 13.607 10.169 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.241 12.838 9.207 1.00 0.00 H new ATOM 615 N GLU A 175 4.245 13.711 6.083 1.00 0.00 N ATOM 616 CA GLU A 175 5.185 13.924 4.989 1.00 0.00 C ATOM 617 C GLU A 175 4.915 15.244 4.285 1.00 0.00 C ATOM 618 O GLU A 175 3.820 15.476 3.762 1.00 0.00 O ATOM 619 CB GLU A 175 5.124 12.772 3.982 1.00 0.00 C ATOM 620 CG GLU A 175 5.879 11.530 4.428 1.00 0.00 C ATOM 621 CD GLU A 175 7.369 11.782 4.572 1.00 0.00 C ATOM 622 OE1 GLU A 175 7.777 12.435 5.550 1.00 0.00 O ATOM 623 OE2 GLU A 175 8.142 11.327 3.702 1.00 0.00 O ATOM 0 H GLU A 175 3.714 12.843 6.018 1.00 0.00 H new ATOM 0 HA GLU A 175 6.186 13.959 5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.081 12.509 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.531 13.112 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.477 11.186 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.716 10.730 3.706 1.00 0.00 H new ATOM 631 N GLN A 176 5.915 16.112 4.297 1.00 0.00 N ATOM 632 CA GLN A 176 5.808 17.414 3.667 1.00 0.00 C ATOM 633 C GLN A 176 6.000 17.294 2.166 1.00 0.00 C ATOM 634 O GLN A 176 7.117 17.370 1.655 1.00 0.00 O ATOM 635 CB GLN A 176 6.826 18.382 4.260 1.00 0.00 C ATOM 636 CG GLN A 176 6.650 18.604 5.752 1.00 0.00 C ATOM 637 CD GLN A 176 5.284 19.159 6.106 1.00 0.00 C ATOM 638 OE1 GLN A 176 5.075 20.370 6.131 1.00 0.00 O ATOM 639 NE2 GLN A 176 4.346 18.273 6.402 1.00 0.00 N ATOM 0 H GLN A 176 6.816 15.934 4.741 1.00 0.00 H new ATOM 0 HA GLN A 176 4.809 17.807 3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 176 7.830 18.001 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 176 6.747 19.340 3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 176 6.800 17.660 6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 176 7.419 19.291 6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 176 4.558 17.276 6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 176 3.411 18.588 6.662 1.00 0.00 H new ATOM 648 N ALA A 177 4.893 17.081 1.484 1.00 0.00 N ATOM 649 CA ALA A 177 4.868 16.956 0.037 1.00 0.00 C ATOM 650 C ALA A 177 3.456 17.199 -0.456 1.00 0.00 C ATOM 651 O ALA A 177 2.500 17.001 0.294 1.00 0.00 O ATOM 652 CB ALA A 177 5.339 15.568 -0.398 1.00 0.00 C ATOM 0 H ALA A 177 3.976 16.989 1.921 1.00 0.00 H new ATOM 0 HA ALA A 177 5.545 17.694 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 177 5.311 15.499 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 177 6.359 15.404 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.683 14.810 0.031 1.00 0.00 H new ATOM 658 N SER A 178 3.326 17.649 -1.694 1.00 0.00 N ATOM 659 CA SER A 178 2.021 17.756 -2.323 1.00 0.00 C ATOM 660 C SER A 178 1.369 16.381 -2.329 1.00 0.00 C ATOM 661 O SER A 178 2.015 15.382 -2.656 1.00 0.00 O ATOM 662 CB SER A 178 2.170 18.275 -3.753 1.00 0.00 C ATOM 663 OG SER A 178 2.976 19.441 -3.789 1.00 0.00 O ATOM 0 H SER A 178 4.106 17.945 -2.281 1.00 0.00 H new ATOM 0 HA SER A 178 1.398 18.456 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 178 2.614 17.502 -4.380 1.00 0.00 H new ATOM 0 HB3 SER A 178 1.186 18.495 -4.168 1.00 0.00 H new ATOM 0 HG SER A 178 3.058 19.753 -4.714 1.00 0.00 H new ATOM 669 N GLN A 179 0.096 16.338 -1.946 1.00 0.00 N ATOM 670 CA GLN A 179 -0.626 15.080 -1.813 1.00 0.00 C ATOM 671 C GLN A 179 -0.618 14.298 -3.115 1.00 0.00 C ATOM 672 O GLN A 179 -0.482 13.085 -3.092 1.00 0.00 O ATOM 673 CB GLN A 179 -2.064 15.309 -1.346 1.00 0.00 C ATOM 674 CG GLN A 179 -2.162 15.919 0.041 1.00 0.00 C ATOM 675 CD GLN A 179 -3.568 15.873 0.614 1.00 0.00 C ATOM 676 OE1 GLN A 179 -4.570 15.872 -0.249 1.00 0.00 O flip ATOM 677 NE2 GLN A 179 -3.751 15.823 1.829 1.00 0.00 N flip ATOM 0 H GLN A 179 -0.457 17.165 -1.722 1.00 0.00 H new ATOM 0 HA GLN A 179 -0.108 14.492 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -2.569 15.962 -2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -2.596 14.358 -1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -1.485 15.391 0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -1.826 16.955 0.000 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -2.954 15.826 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -4.700 15.779 2.200 1.00 0.00 H new ATOM 686 N GLU A 180 -0.740 14.998 -4.240 1.00 0.00 N ATOM 687 CA GLU A 180 -0.682 14.356 -5.555 1.00 0.00 C ATOM 688 C GLU A 180 0.611 13.560 -5.704 1.00 0.00 C ATOM 689 O GLU A 180 0.607 12.420 -6.172 1.00 0.00 O ATOM 690 CB GLU A 180 -0.753 15.405 -6.667 1.00 0.00 C ATOM 691 CG GLU A 180 -1.966 16.312 -6.588 1.00 0.00 C ATOM 692 CD GLU A 180 -3.271 15.565 -6.733 1.00 0.00 C ATOM 693 OE1 GLU A 180 -3.871 15.197 -5.708 1.00 0.00 O ATOM 694 OE2 GLU A 180 -3.713 15.357 -7.880 1.00 0.00 O ATOM 0 H GLU A 180 -0.879 16.008 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.535 13.682 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 180 0.148 16.018 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -0.755 14.897 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -1.958 16.837 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -1.898 17.069 -7.369 1.00 0.00 H new ATOM 702 N VAL A 181 1.715 14.179 -5.301 1.00 0.00 N ATOM 703 CA VAL A 181 3.022 13.541 -5.355 1.00 0.00 C ATOM 704 C VAL A 181 3.088 12.390 -4.357 1.00 0.00 C ATOM 705 O VAL A 181 3.610 11.319 -4.663 1.00 0.00 O ATOM 706 CB VAL A 181 4.154 14.550 -5.054 1.00 0.00 C ATOM 707 CG1 VAL A 181 5.518 13.876 -5.100 1.00 0.00 C ATOM 708 CG2 VAL A 181 4.105 15.710 -6.032 1.00 0.00 C ATOM 0 H VAL A 181 1.728 15.129 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 181 3.162 13.158 -6.366 1.00 0.00 H new ATOM 0 HB VAL A 181 4.001 14.934 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 181 6.294 14.610 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 181 5.556 13.080 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 181 5.682 13.455 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 181 4.909 16.411 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 181 4.226 15.335 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 181 3.145 16.219 -5.945 1.00 0.00 H new ATOM 718 N LYS A 182 2.533 12.612 -3.168 1.00 0.00 N ATOM 719 CA LYS A 182 2.528 11.590 -2.133 1.00 0.00 C ATOM 720 C LYS A 182 1.702 10.378 -2.562 1.00 0.00 C ATOM 721 O LYS A 182 2.031 9.242 -2.217 1.00 0.00 O ATOM 722 CB LYS A 182 2.013 12.149 -0.803 1.00 0.00 C ATOM 723 CG LYS A 182 3.050 12.987 -0.077 1.00 0.00 C ATOM 724 CD LYS A 182 2.663 13.253 1.367 1.00 0.00 C ATOM 725 CE LYS A 182 1.554 14.284 1.481 1.00 0.00 C ATOM 726 NZ LYS A 182 1.282 14.643 2.900 1.00 0.00 N ATOM 0 H LYS A 182 2.083 13.488 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 182 3.558 11.266 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 182 1.127 12.756 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.706 11.323 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 182 4.012 12.476 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 182 3.178 13.936 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 182 2.341 12.322 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 182 3.537 13.599 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 182 1.831 15.180 0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.645 13.893 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 0.424 15.229 2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 1.143 13.776 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 2.088 15.176 3.284 1.00 0.00 H new ATOM 740 N ASN A 183 0.636 10.618 -3.322 1.00 0.00 N ATOM 741 CA ASN A 183 -0.180 9.527 -3.849 1.00 0.00 C ATOM 742 C ASN A 183 0.660 8.646 -4.757 1.00 0.00 C ATOM 743 O ASN A 183 0.769 7.442 -4.536 1.00 0.00 O ATOM 744 CB ASN A 183 -1.387 10.032 -4.654 1.00 0.00 C ATOM 745 CG ASN A 183 -2.275 11.011 -3.910 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.385 10.859 -2.600 1.00 0.00 O flip ATOM 747 ND2 ASN A 183 -2.876 11.894 -4.518 1.00 0.00 N flip ATOM 0 H ASN A 183 0.319 11.551 -3.585 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.548 8.967 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.026 10.509 -5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.988 9.175 -4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -2.768 11.982 -5.528 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.483 12.539 -4.012 1.00 0.00 H new ATOM 754 N ALA A 184 1.277 9.270 -5.755 1.00 0.00 N ATOM 755 CA ALA A 184 2.071 8.554 -6.745 1.00 0.00 C ATOM 756 C ALA A 184 3.267 7.861 -6.105 1.00 0.00 C ATOM 757 O ALA A 184 3.708 6.807 -6.568 1.00 0.00 O ATOM 758 CB ALA A 184 2.534 9.506 -7.838 1.00 0.00 C ATOM 0 H ALA A 184 1.241 10.279 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 184 1.438 7.785 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.126 8.958 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.666 9.946 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.142 10.297 -7.398 1.00 0.00 H new ATOM 764 N ALA A 185 3.787 8.454 -5.035 1.00 0.00 N ATOM 765 CA ALA A 185 4.941 7.905 -4.346 1.00 0.00 C ATOM 766 C ALA A 185 4.578 6.619 -3.614 1.00 0.00 C ATOM 767 O ALA A 185 5.245 5.602 -3.772 1.00 0.00 O ATOM 768 CB ALA A 185 5.514 8.924 -3.373 1.00 0.00 C ATOM 0 H ALA A 185 3.424 9.316 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 185 5.700 7.669 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.378 8.496 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.819 9.817 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.756 9.190 -2.637 1.00 0.00 H new ATOM 774 N THR A 186 3.510 6.660 -2.831 1.00 0.00 N ATOM 775 CA THR A 186 3.104 5.505 -2.045 1.00 0.00 C ATOM 776 C THR A 186 2.590 4.374 -2.938 1.00 0.00 C ATOM 777 O THR A 186 2.757 3.199 -2.608 1.00 0.00 O ATOM 778 CB THR A 186 2.052 5.870 -0.980 1.00 0.00 C ATOM 779 OG1 THR A 186 1.828 4.755 -0.111 1.00 0.00 O ATOM 780 CG2 THR A 186 0.739 6.270 -1.611 1.00 0.00 C ATOM 0 H THR A 186 2.911 7.478 -2.723 1.00 0.00 H new ATOM 0 HA THR A 186 3.995 5.154 -1.524 1.00 0.00 H new ATOM 0 HB THR A 186 2.439 6.717 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.632 4.592 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.021 6.521 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.893 7.137 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 186 0.354 5.442 -2.206 1.00 0.00 H new ATOM 788 N GLU A 187 1.954 4.730 -4.061 1.00 0.00 N ATOM 789 CA GLU A 187 1.497 3.739 -5.040 1.00 0.00 C ATOM 790 C GLU A 187 2.611 2.742 -5.358 1.00 0.00 C ATOM 791 O GLU A 187 2.365 1.547 -5.517 1.00 0.00 O ATOM 792 CB GLU A 187 1.031 4.433 -6.326 1.00 0.00 C ATOM 793 CG GLU A 187 -0.299 5.160 -6.188 1.00 0.00 C ATOM 794 CD GLU A 187 -1.474 4.311 -6.617 1.00 0.00 C ATOM 795 OE1 GLU A 187 -2.096 4.634 -7.648 1.00 0.00 O ATOM 796 OE2 GLU A 187 -1.782 3.325 -5.923 1.00 0.00 O ATOM 0 H GLU A 187 1.745 5.696 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 187 0.657 3.196 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 187 1.793 5.147 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 187 0.947 3.689 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.436 5.465 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 187 -0.275 6.070 -6.788 1.00 0.00 H new ATOM 804 N THR A 188 3.834 3.242 -5.430 1.00 0.00 N ATOM 805 CA THR A 188 4.993 2.400 -5.665 1.00 0.00 C ATOM 806 C THR A 188 5.686 2.006 -4.355 1.00 0.00 C ATOM 807 O THR A 188 5.902 0.824 -4.090 1.00 0.00 O ATOM 808 CB THR A 188 5.999 3.108 -6.592 1.00 0.00 C ATOM 809 OG1 THR A 188 6.122 4.488 -6.219 1.00 0.00 O ATOM 810 CG2 THR A 188 5.562 3.013 -8.042 1.00 0.00 C ATOM 0 H THR A 188 4.049 4.234 -5.328 1.00 0.00 H new ATOM 0 HA THR A 188 4.636 1.490 -6.147 1.00 0.00 H new ATOM 0 HB THR A 188 6.964 2.612 -6.486 1.00 0.00 H new ATOM 0 HG1 THR A 188 6.764 4.931 -6.812 1.00 0.00 H new ATOM 0 HG21 THR A 188 6.289 3.521 -8.675 1.00 0.00 H new ATOM 0 HG22 THR A 188 5.496 1.965 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 188 4.587 3.485 -8.160 1.00 0.00 H new ATOM 818 N LEU A 189 5.999 3.002 -3.530 1.00 0.00 N ATOM 819 CA LEU A 189 6.806 2.805 -2.322 1.00 0.00 C ATOM 820 C LEU A 189 6.168 1.838 -1.325 1.00 0.00 C ATOM 821 O LEU A 189 6.882 1.148 -0.601 1.00 0.00 O ATOM 822 CB LEU A 189 7.082 4.143 -1.635 1.00 0.00 C ATOM 823 CG LEU A 189 7.985 5.097 -2.417 1.00 0.00 C ATOM 824 CD1 LEU A 189 8.137 6.414 -1.670 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.346 4.464 -2.656 1.00 0.00 C ATOM 0 H LEU A 189 5.703 3.967 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 189 7.743 2.357 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 189 6.131 4.640 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.538 3.949 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 189 7.522 5.297 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.783 7.083 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 189 7.158 6.876 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 189 8.580 6.228 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.976 5.156 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.815 4.237 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.224 3.544 -3.227 1.00 0.00 H new ATOM 837 N LEU A 190 4.841 1.790 -1.278 1.00 0.00 N ATOM 838 CA LEU A 190 4.149 0.869 -0.378 1.00 0.00 C ATOM 839 C LEU A 190 4.558 -0.569 -0.681 1.00 0.00 C ATOM 840 O LEU A 190 4.800 -1.361 0.224 1.00 0.00 O ATOM 841 CB LEU A 190 2.627 1.030 -0.507 1.00 0.00 C ATOM 842 CG LEU A 190 1.792 0.279 0.533 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.179 0.708 1.936 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.310 0.525 0.300 1.00 0.00 C ATOM 0 H LEU A 190 4.226 2.372 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 190 4.434 1.106 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.385 2.091 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.327 0.694 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 190 1.991 -0.788 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.575 0.164 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.234 0.491 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.007 1.778 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -0.271 -0.016 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.101 1.592 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.035 0.176 -0.695 1.00 0.00 H new ATOM 856 N VAL A 191 4.635 -0.892 -1.964 1.00 0.00 N ATOM 857 CA VAL A 191 5.085 -2.206 -2.402 1.00 0.00 C ATOM 858 C VAL A 191 6.614 -2.283 -2.382 1.00 0.00 C ATOM 859 O VAL A 191 7.196 -3.298 -2.001 1.00 0.00 O ATOM 860 CB VAL A 191 4.577 -2.515 -3.829 1.00 0.00 C ATOM 861 CG1 VAL A 191 4.985 -3.916 -4.262 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.067 -2.348 -3.913 1.00 0.00 C ATOM 0 H VAL A 191 4.390 -0.258 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 191 4.676 -2.944 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 191 5.039 -1.801 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.615 -4.108 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.072 -3.998 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.561 -4.647 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 191 2.732 -2.571 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.586 -3.031 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 191 2.800 -1.322 -3.660 1.00 0.00 H new ATOM 872 N GLN A 192 7.245 -1.187 -2.784 1.00 0.00 N ATOM 873 CA GLN A 192 8.684 -1.126 -2.982 1.00 0.00 C ATOM 874 C GLN A 192 9.465 -1.250 -1.670 1.00 0.00 C ATOM 875 O GLN A 192 10.490 -1.935 -1.616 1.00 0.00 O ATOM 876 CB GLN A 192 9.024 0.187 -3.685 1.00 0.00 C ATOM 877 CG GLN A 192 10.450 0.270 -4.168 1.00 0.00 C ATOM 878 CD GLN A 192 10.712 1.529 -4.971 1.00 0.00 C ATOM 879 OE1 GLN A 192 9.816 2.057 -5.629 1.00 0.00 O ATOM 880 NE2 GLN A 192 11.937 2.014 -4.922 1.00 0.00 N ATOM 0 H GLN A 192 6.766 -0.309 -2.983 1.00 0.00 H new ATOM 0 HA GLN A 192 8.981 -1.976 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 192 8.355 0.316 -4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 192 8.834 1.014 -3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.124 0.241 -3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 192 10.675 -0.603 -4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 192 12.650 1.544 -4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 192 12.172 2.859 -5.443 1.00 0.00 H new ATOM 889 N ASN A 193 8.989 -0.604 -0.616 1.00 0.00 N ATOM 890 CA ASN A 193 9.698 -0.622 0.664 1.00 0.00 C ATOM 891 C ASN A 193 9.221 -1.780 1.538 1.00 0.00 C ATOM 892 O ASN A 193 9.668 -1.940 2.676 1.00 0.00 O ATOM 893 CB ASN A 193 9.518 0.702 1.418 1.00 0.00 C ATOM 894 CG ASN A 193 10.098 1.894 0.681 1.00 0.00 C ATOM 895 OD1 ASN A 193 11.041 1.767 -0.102 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.553 3.072 0.946 1.00 0.00 N ATOM 0 H ASN A 193 8.123 -0.064 -0.616 1.00 0.00 H new ATOM 0 HA ASN A 193 10.757 -0.758 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.455 0.872 1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.992 0.623 2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.913 3.913 0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.773 3.138 1.600 1.00 0.00 H new ATOM 903 N ALA A 194 8.321 -2.591 0.998 1.00 0.00 N ATOM 904 CA ALA A 194 7.805 -3.746 1.717 1.00 0.00 C ATOM 905 C ALA A 194 8.791 -4.908 1.656 1.00 0.00 C ATOM 906 O ALA A 194 9.805 -4.843 0.951 1.00 0.00 O ATOM 907 CB ALA A 194 6.454 -4.162 1.155 1.00 0.00 C ATOM 0 H ALA A 194 7.933 -2.469 0.063 1.00 0.00 H new ATOM 0 HA ALA A 194 7.674 -3.467 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.082 -5.027 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.748 -3.337 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.562 -4.420 0.101 1.00 0.00 H new ATOM 913 N ASN A 195 8.490 -5.963 2.397 1.00 0.00 N ATOM 914 CA ASN A 195 9.339 -7.147 2.432 1.00 0.00 C ATOM 915 C ASN A 195 9.282 -7.878 1.092 1.00 0.00 C ATOM 916 O ASN A 195 8.218 -7.931 0.484 1.00 0.00 O ATOM 917 CB ASN A 195 8.895 -8.078 3.570 1.00 0.00 C ATOM 918 CG ASN A 195 9.816 -9.264 3.756 1.00 0.00 C ATOM 919 OD1 ASN A 195 9.673 -10.292 3.095 1.00 0.00 O ATOM 920 ND2 ASN A 195 10.762 -9.133 4.671 1.00 0.00 N ATOM 0 H ASN A 195 7.660 -6.025 2.986 1.00 0.00 H new ATOM 0 HA ASN A 195 10.369 -6.839 2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 195 8.850 -7.511 4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 195 7.886 -8.437 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 195 11.408 -9.902 4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 195 10.846 -8.263 5.197 1.00 0.00 H new ATOM 927 N PRO A 196 10.409 -8.425 0.595 1.00 0.00 N ATOM 928 CA PRO A 196 10.459 -9.103 -0.709 1.00 0.00 C ATOM 929 C PRO A 196 9.313 -10.096 -0.896 1.00 0.00 C ATOM 930 O PRO A 196 8.673 -10.138 -1.954 1.00 0.00 O ATOM 931 CB PRO A 196 11.809 -9.838 -0.692 1.00 0.00 C ATOM 932 CG PRO A 196 12.349 -9.677 0.693 1.00 0.00 C ATOM 933 CD PRO A 196 11.722 -8.431 1.245 1.00 0.00 C ATOM 0 HA PRO A 196 10.359 -8.395 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.683 -10.892 -0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.492 -9.416 -1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.104 -10.542 1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.436 -9.593 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.637 -8.466 2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.301 -7.541 0.999 1.00 0.00 H new ATOM 941 N ASP A 197 9.037 -10.862 0.150 1.00 0.00 N ATOM 942 CA ASP A 197 7.965 -11.855 0.122 1.00 0.00 C ATOM 943 C ASP A 197 6.614 -11.181 -0.091 1.00 0.00 C ATOM 944 O ASP A 197 5.845 -11.564 -0.977 1.00 0.00 O ATOM 945 CB ASP A 197 7.959 -12.662 1.421 1.00 0.00 C ATOM 946 CG ASP A 197 6.799 -13.634 1.505 1.00 0.00 C ATOM 947 OD1 ASP A 197 6.694 -14.521 0.634 1.00 0.00 O ATOM 948 OD2 ASP A 197 6.003 -13.531 2.462 1.00 0.00 O ATOM 0 H ASP A 197 9.542 -10.816 1.035 1.00 0.00 H new ATOM 0 HA ASP A 197 8.144 -12.534 -0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 197 8.896 -13.213 1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 197 7.915 -11.977 2.268 1.00 0.00 H new ATOM 954 N CYS A 198 6.349 -10.156 0.704 1.00 0.00 N ATOM 955 CA CYS A 198 5.120 -9.386 0.586 1.00 0.00 C ATOM 956 C CYS A 198 5.040 -8.722 -0.786 1.00 0.00 C ATOM 957 O CYS A 198 3.995 -8.731 -1.433 1.00 0.00 O ATOM 958 CB CYS A 198 5.073 -8.329 1.684 1.00 0.00 C ATOM 959 SG CYS A 198 5.510 -8.969 3.315 1.00 0.00 S ATOM 0 H CYS A 198 6.974 -9.836 1.444 1.00 0.00 H new ATOM 0 HA CYS A 198 4.268 -10.057 0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 198 5.753 -7.517 1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 198 4.070 -7.903 1.726 1.00 0.00 H new ATOM 0 HG CYS A 198 4.426 -9.252 3.975 1.00 0.00 H new ATOM 965 N LYS A 199 6.168 -8.172 -1.223 1.00 0.00 N ATOM 966 CA LYS A 199 6.285 -7.513 -2.521 1.00 0.00 C ATOM 967 C LYS A 199 5.919 -8.475 -3.653 1.00 0.00 C ATOM 968 O LYS A 199 5.411 -8.066 -4.699 1.00 0.00 O ATOM 969 CB LYS A 199 7.719 -7.002 -2.696 1.00 0.00 C ATOM 970 CG LYS A 199 7.949 -6.176 -3.952 1.00 0.00 C ATOM 971 CD LYS A 199 9.393 -5.706 -4.050 1.00 0.00 C ATOM 972 CE LYS A 199 9.788 -4.851 -2.857 1.00 0.00 C ATOM 973 NZ LYS A 199 11.187 -4.362 -2.957 1.00 0.00 N ATOM 0 H LYS A 199 7.034 -8.170 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 199 5.591 -6.673 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.984 -6.399 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.396 -7.856 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.697 -6.770 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 199 7.283 -5.313 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 199 10.054 -6.571 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 199 9.528 -5.134 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 199 9.112 -4.000 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.672 -5.431 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.262 -3.430 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.824 -5.032 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.456 -4.281 -3.958 1.00 0.00 H new ATOM 987 N THR A 200 6.195 -9.755 -3.436 1.00 0.00 N ATOM 988 CA THR A 200 5.824 -10.798 -4.378 1.00 0.00 C ATOM 989 C THR A 200 4.302 -10.937 -4.454 1.00 0.00 C ATOM 990 O THR A 200 3.718 -10.997 -5.541 1.00 0.00 O ATOM 991 CB THR A 200 6.449 -12.147 -3.960 1.00 0.00 C ATOM 992 OG1 THR A 200 7.874 -12.011 -3.868 1.00 0.00 O ATOM 993 CG2 THR A 200 6.101 -13.249 -4.948 1.00 0.00 C ATOM 0 H THR A 200 6.680 -10.096 -2.606 1.00 0.00 H new ATOM 0 HA THR A 200 6.203 -10.519 -5.361 1.00 0.00 H new ATOM 0 HB THR A 200 6.041 -12.423 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.097 -11.391 -3.143 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.556 -14.185 -4.624 1.00 0.00 H new ATOM 0 HG22 THR A 200 5.019 -13.369 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 200 6.478 -12.984 -5.936 1.00 0.00 H new ATOM 1001 N ILE A 201 3.666 -10.954 -3.290 1.00 0.00 N ATOM 1002 CA ILE A 201 2.219 -11.108 -3.198 1.00 0.00 C ATOM 1003 C ILE A 201 1.496 -9.867 -3.725 1.00 0.00 C ATOM 1004 O ILE A 201 0.482 -9.972 -4.415 1.00 0.00 O ATOM 1005 CB ILE A 201 1.789 -11.365 -1.738 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.547 -12.567 -1.165 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.284 -11.592 -1.649 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.251 -12.837 0.296 1.00 0.00 C ATOM 0 H ILE A 201 4.134 -10.862 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 201 1.943 -11.965 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 201 2.035 -10.483 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.296 -13.454 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.618 -12.400 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.004 -11.771 -0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.239 -10.711 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.010 -12.457 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 201 2.824 -13.702 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.529 -11.967 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.187 -13.037 0.421 1.00 0.00 H new ATOM 1020 N LEU A 202 2.037 -8.695 -3.410 1.00 0.00 N ATOM 1021 CA LEU A 202 1.418 -7.430 -3.800 1.00 0.00 C ATOM 1022 C LEU A 202 1.351 -7.288 -5.322 1.00 0.00 C ATOM 1023 O LEU A 202 0.436 -6.659 -5.858 1.00 0.00 O ATOM 1024 CB LEU A 202 2.187 -6.253 -3.191 1.00 0.00 C ATOM 1025 CG LEU A 202 2.276 -6.258 -1.660 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.105 -5.083 -1.169 1.00 0.00 C ATOM 1027 CD2 LEU A 202 0.886 -6.223 -1.040 1.00 0.00 C ATOM 0 H LEU A 202 2.905 -8.593 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 202 0.397 -7.425 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.198 -6.250 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.712 -5.325 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 202 2.767 -7.181 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.157 -5.104 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.112 -5.150 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.642 -4.151 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 202 0.972 -6.227 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.368 -5.319 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.322 -7.098 -1.363 1.00 0.00 H new ATOM 1039 N LYS A 203 2.316 -7.879 -6.016 1.00 0.00 N ATOM 1040 CA LYS A 203 2.327 -7.852 -7.476 1.00 0.00 C ATOM 1041 C LYS A 203 1.283 -8.805 -8.051 1.00 0.00 C ATOM 1042 O LYS A 203 0.797 -8.606 -9.166 1.00 0.00 O ATOM 1043 CB LYS A 203 3.713 -8.192 -8.035 1.00 0.00 C ATOM 1044 CG LYS A 203 4.744 -7.094 -7.816 1.00 0.00 C ATOM 1045 CD LYS A 203 5.981 -7.302 -8.681 1.00 0.00 C ATOM 1046 CE LYS A 203 6.771 -8.527 -8.256 1.00 0.00 C ATOM 1047 NZ LYS A 203 7.399 -8.346 -6.922 1.00 0.00 N ATOM 0 H LYS A 203 3.098 -8.381 -5.595 1.00 0.00 H new ATOM 0 HA LYS A 203 2.077 -6.835 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 203 4.068 -9.111 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.626 -8.390 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.299 -6.126 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.034 -7.071 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 203 5.681 -7.407 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 203 6.619 -6.420 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 203 6.111 -9.394 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.544 -8.735 -8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 8.075 -9.117 -6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.899 -7.435 -6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 6.663 -8.359 -6.187 1.00 0.00 H new ATOM 1061 N ALA A 204 0.946 -9.840 -7.291 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.070 -10.796 -7.712 1.00 0.00 C ATOM 1063 C ALA A 204 -1.459 -10.180 -7.587 1.00 0.00 C ATOM 1064 O ALA A 204 -2.380 -10.540 -8.322 1.00 0.00 O ATOM 1065 CB ALA A 204 0.024 -12.075 -6.892 1.00 0.00 C ATOM 0 H ALA A 204 1.361 -10.038 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 204 0.105 -11.049 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.743 -12.776 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.008 -12.523 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 204 -0.126 -11.843 -5.838 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.602 -9.253 -6.647 1.00 0.00 N ATOM 1072 CA LEU A 205 -2.848 -8.515 -6.475 1.00 0.00 C ATOM 1073 C LEU A 205 -2.998 -7.475 -7.579 1.00 0.00 C ATOM 1074 O LEU A 205 -4.045 -7.369 -8.217 1.00 0.00 O ATOM 1075 CB LEU A 205 -2.879 -7.840 -5.103 1.00 0.00 C ATOM 1076 CG LEU A 205 -2.992 -8.794 -3.911 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -2.667 -8.074 -2.614 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -4.386 -9.393 -3.844 1.00 0.00 C ATOM 0 H LEU A 205 -0.867 -8.994 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.681 -9.215 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -1.973 -7.245 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.720 -7.148 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 205 -2.270 -9.599 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -2.753 -8.770 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -1.650 -7.686 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -3.365 -7.249 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -4.451 -10.069 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -5.120 -8.595 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -4.589 -9.945 -4.761 1.00 0.00 H new ATOM 1090 N GLY A 206 -1.933 -6.714 -7.800 1.00 0.00 N ATOM 1091 CA GLY A 206 -1.920 -5.746 -8.874 1.00 0.00 C ATOM 1092 C GLY A 206 -2.584 -4.434 -8.499 1.00 0.00 C ATOM 1093 O GLY A 206 -2.978 -4.234 -7.349 1.00 0.00 O ATOM 0 H GLY A 206 -1.075 -6.753 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -0.889 -5.553 -9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -2.427 -6.168 -9.742 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.716 -3.514 -9.466 1.00 0.00 N ATOM 1098 CA PRO A 207 -3.326 -2.199 -9.243 1.00 0.00 C ATOM 1099 C PRO A 207 -4.852 -2.249 -9.240 1.00 0.00 C ATOM 1100 O PRO A 207 -5.518 -1.237 -9.018 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.825 -1.387 -10.435 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.648 -2.389 -11.527 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.255 -3.682 -10.858 1.00 0.00 C ATOM 0 HA PRO A 207 -3.059 -1.784 -8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.541 -0.615 -10.718 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.887 -0.882 -10.204 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.570 -2.510 -12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.880 -2.066 -12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.729 -4.539 -11.335 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.178 -3.846 -10.906 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.399 -3.431 -9.478 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.843 -3.613 -9.538 1.00 0.00 C ATOM 1113 C ALA A 208 -7.400 -4.007 -8.173 1.00 0.00 C ATOM 1114 O ALA A 208 -8.558 -4.401 -8.047 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.197 -4.657 -10.587 1.00 0.00 C ATOM 0 H ALA A 208 -4.862 -4.284 -9.634 1.00 0.00 H new ATOM 0 HA ALA A 208 -7.299 -2.665 -9.823 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.279 -4.785 -10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.838 -4.329 -11.562 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -6.728 -5.606 -10.328 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.560 -3.902 -7.157 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.956 -4.215 -5.794 1.00 0.00 C ATOM 1123 C ALA A 209 -6.793 -2.984 -4.912 1.00 0.00 C ATOM 1124 O ALA A 209 -6.159 -2.006 -5.314 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.127 -5.371 -5.266 1.00 0.00 C ATOM 0 H ALA A 209 -5.591 -3.599 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 209 -8.005 -4.511 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.430 -5.599 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.283 -6.248 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.072 -5.098 -5.279 1.00 0.00 H new ATOM 1131 N THR A 210 -7.363 -3.028 -3.714 1.00 0.00 N ATOM 1132 CA THR A 210 -7.321 -1.881 -2.819 1.00 0.00 C ATOM 1133 C THR A 210 -6.418 -2.164 -1.628 1.00 0.00 C ATOM 1134 O THR A 210 -5.785 -3.221 -1.566 1.00 0.00 O ATOM 1135 CB THR A 210 -8.729 -1.498 -2.315 1.00 0.00 C ATOM 1136 OG1 THR A 210 -9.211 -2.477 -1.384 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.699 -1.395 -3.476 1.00 0.00 C ATOM 0 H THR A 210 -7.856 -3.840 -3.343 1.00 0.00 H new ATOM 0 HA THR A 210 -6.920 -1.043 -3.390 1.00 0.00 H new ATOM 0 HB THR A 210 -8.658 -0.530 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 210 -8.979 -3.374 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.686 -1.124 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.353 -0.632 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 210 -9.756 -2.355 -3.989 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.356 -1.233 -0.685 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.500 -1.398 0.478 1.00 0.00 C ATOM 1147 C LEU A 211 -5.904 -2.620 1.296 1.00 0.00 C ATOM 1148 O LEU A 211 -5.050 -3.397 1.716 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.542 -0.163 1.370 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.638 -0.242 2.599 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -3.175 -0.189 2.193 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.970 0.873 3.567 1.00 0.00 C ATOM 0 H LEU A 211 -6.886 -0.361 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.485 -1.539 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.256 0.707 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.569 -0.002 1.699 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.814 -1.195 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.548 -0.247 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.949 -1.028 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.976 0.746 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.318 0.805 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.822 1.836 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -6.009 0.783 3.883 1.00 0.00 H new ATOM 1164 N GLU A 212 -7.205 -2.802 1.509 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.682 -3.890 2.357 1.00 0.00 C ATOM 1166 C GLU A 212 -7.362 -5.251 1.741 1.00 0.00 C ATOM 1167 O GLU A 212 -7.218 -6.244 2.458 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.179 -3.754 2.651 1.00 0.00 C ATOM 1169 CG GLU A 212 -10.066 -3.709 1.422 1.00 0.00 C ATOM 1170 CD GLU A 212 -11.529 -3.566 1.783 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -12.059 -2.438 1.698 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -12.148 -4.576 2.180 1.00 0.00 O ATOM 0 H GLU A 212 -7.940 -2.217 1.111 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.153 -3.822 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.490 -4.591 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.340 -2.846 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.766 -2.874 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.924 -4.619 0.839 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.236 -5.297 0.416 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.747 -6.501 -0.252 1.00 0.00 C ATOM 1182 C GLU A 213 -5.310 -6.778 0.166 1.00 0.00 C ATOM 1183 O GLU A 213 -4.959 -7.903 0.520 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.816 -6.368 -1.775 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.147 -6.787 -2.379 1.00 0.00 C ATOM 1186 CD GLU A 213 -9.305 -5.946 -1.903 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -9.466 -4.819 -2.409 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -10.069 -6.414 -1.035 1.00 0.00 O ATOM 0 H GLU A 213 -7.463 -4.524 -0.210 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.389 -7.330 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.617 -5.331 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.023 -6.972 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.082 -6.723 -3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.339 -7.831 -2.132 1.00 0.00 H new ATOM 1196 N MET A 214 -4.493 -5.729 0.143 1.00 0.00 N ATOM 1197 CA MET A 214 -3.085 -5.825 0.529 1.00 0.00 C ATOM 1198 C MET A 214 -2.971 -6.278 1.979 1.00 0.00 C ATOM 1199 O MET A 214 -2.224 -7.204 2.301 1.00 0.00 O ATOM 1200 CB MET A 214 -2.394 -4.462 0.385 1.00 0.00 C ATOM 1201 CG MET A 214 -2.670 -3.756 -0.931 1.00 0.00 C ATOM 1202 SD MET A 214 -1.909 -4.570 -2.345 1.00 0.00 S ATOM 1203 CE MET A 214 -3.315 -4.701 -3.443 1.00 0.00 C ATOM 0 H MET A 214 -4.784 -4.794 -0.141 1.00 0.00 H new ATOM 0 HA MET A 214 -2.602 -6.549 -0.127 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.714 -3.817 1.204 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.318 -4.601 0.491 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.747 -3.701 -1.088 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.304 -2.731 -0.870 1.00 0.00 H new ATOM 0 HE1 MET A 214 -3.009 -5.186 -4.370 1.00 0.00 H new ATOM 0 HE2 MET A 214 -4.096 -5.292 -2.965 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.698 -3.705 -3.664 1.00 0.00 H new ATOM 1213 N MET A 215 -3.742 -5.616 2.839 1.00 0.00 N ATOM 1214 CA MET A 215 -3.721 -5.874 4.275 1.00 0.00 C ATOM 1215 C MET A 215 -4.054 -7.329 4.577 1.00 0.00 C ATOM 1216 O MET A 215 -3.335 -7.998 5.313 1.00 0.00 O ATOM 1217 CB MET A 215 -4.729 -4.967 4.991 1.00 0.00 C ATOM 1218 CG MET A 215 -4.519 -3.482 4.735 1.00 0.00 C ATOM 1219 SD MET A 215 -2.954 -2.867 5.376 1.00 0.00 S ATOM 1220 CE MET A 215 -3.245 -2.998 7.135 1.00 0.00 C ATOM 0 H MET A 215 -4.398 -4.887 2.559 1.00 0.00 H new ATOM 0 HA MET A 215 -2.714 -5.662 4.636 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.736 -5.240 4.675 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.670 -5.152 6.064 1.00 0.00 H new ATOM 0 HG2 MET A 215 -4.564 -3.295 3.662 1.00 0.00 H new ATOM 0 HG3 MET A 215 -5.336 -2.922 5.190 1.00 0.00 H new ATOM 0 HE1 MET A 215 -2.516 -2.390 7.671 1.00 0.00 H new ATOM 0 HE2 MET A 215 -4.250 -2.645 7.365 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.147 -4.039 7.444 1.00 0.00 H new ATOM 1230 N THR A 216 -5.140 -7.816 3.994 1.00 0.00 N ATOM 1231 CA THR A 216 -5.621 -9.162 4.274 1.00 0.00 C ATOM 1232 C THR A 216 -4.715 -10.225 3.645 1.00 0.00 C ATOM 1233 O THR A 216 -4.605 -11.341 4.152 1.00 0.00 O ATOM 1234 CB THR A 216 -7.064 -9.333 3.754 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.867 -8.230 4.199 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.682 -10.638 4.240 1.00 0.00 C ATOM 0 H THR A 216 -5.706 -7.298 3.322 1.00 0.00 H new ATOM 0 HA THR A 216 -5.606 -9.299 5.355 1.00 0.00 H new ATOM 0 HB THR A 216 -7.030 -9.359 2.665 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.713 -7.457 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.698 -10.725 3.855 1.00 0.00 H new ATOM 0 HG22 THR A 216 -7.086 -11.478 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.705 -10.646 5.330 1.00 0.00 H new ATOM 1244 N ALA A 217 -4.053 -9.866 2.553 1.00 0.00 N ATOM 1245 CA ALA A 217 -3.199 -10.803 1.833 1.00 0.00 C ATOM 1246 C ALA A 217 -1.991 -11.232 2.668 1.00 0.00 C ATOM 1247 O ALA A 217 -1.718 -12.423 2.822 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.737 -10.188 0.519 1.00 0.00 C ATOM 0 H ALA A 217 -4.091 -8.932 2.146 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.790 -11.696 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -2.100 -10.897 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.605 -9.950 -0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.175 -9.276 0.722 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.271 -10.259 3.208 1.00 0.00 N ATOM 1255 CA CYS A 218 -0.030 -10.540 3.921 1.00 0.00 C ATOM 1256 C CYS A 218 -0.142 -10.182 5.404 1.00 0.00 C ATOM 1257 O CYS A 218 0.864 -9.917 6.068 1.00 0.00 O ATOM 1258 CB CYS A 218 1.130 -9.787 3.269 1.00 0.00 C ATOM 1259 SG CYS A 218 2.753 -10.483 3.643 1.00 0.00 S ATOM 0 H CYS A 218 -1.522 -9.271 3.167 1.00 0.00 H new ATOM 0 HA CYS A 218 0.163 -11.611 3.858 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.987 -9.783 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 218 1.106 -8.748 3.597 1.00 0.00 H new ATOM 0 HG CYS A 218 3.639 -9.976 2.838 1.00 0.00 H new ATOM 1472 N THR B 2 -2.250 4.453 -3.510 1.00 0.00 N ATOM 1473 CA THR B 2 -2.212 5.866 -3.161 1.00 0.00 C ATOM 1474 C THR B 2 -2.784 6.154 -1.771 1.00 0.00 C ATOM 1475 O THR B 2 -3.669 5.459 -1.268 1.00 0.00 O ATOM 1476 CB THR B 2 -2.928 6.739 -4.225 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.250 8.023 -3.684 1.00 0.00 O ATOM 1478 CG2 THR B 2 -4.196 6.093 -4.739 1.00 0.00 C ATOM 0 HA THR B 2 -1.156 6.135 -3.140 1.00 0.00 H new ATOM 0 HB THR B 2 -2.235 6.845 -5.060 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.836 8.503 -4.306 1.00 0.00 H new ATOM 0 HG21 THR B 2 -4.660 6.743 -5.481 1.00 0.00 H new ATOM 0 HG22 THR B 2 -3.956 5.133 -5.196 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.887 5.937 -3.910 1.00 0.00 H new ATOM 1486 N PHE B 3 -2.212 7.202 -1.175 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.542 7.690 0.161 1.00 0.00 C ATOM 1488 C PHE B 3 -4.045 7.844 0.330 1.00 0.00 C ATOM 1489 O PHE B 3 -4.555 7.707 1.440 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.824 9.032 0.377 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.965 9.634 1.750 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.731 8.880 2.891 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -2.307 10.971 1.895 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.840 9.448 4.147 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -2.412 11.544 3.147 1.00 0.00 C ATOM 1496 CZ PHE B 3 -2.178 10.783 4.275 1.00 0.00 C ATOM 0 H PHE B 3 -1.481 7.752 -1.627 1.00 0.00 H new ATOM 0 HA PHE B 3 -2.209 6.969 0.908 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.763 8.893 0.168 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -2.202 9.747 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.461 7.839 2.797 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -2.494 11.571 1.017 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.661 8.849 5.028 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.677 12.587 3.244 1.00 0.00 H new ATOM 0 HZ PHE B 3 -2.259 11.229 5.255 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.326 5.810 -0.636 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.872 4.526 -0.191 1.00 0.00 C ATOM 1528 C ASP B 5 -6.582 4.326 1.280 1.00 0.00 C ATOM 1529 O ASP B 5 -7.402 3.793 2.028 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.273 3.359 -0.987 1.00 0.00 C ATOM 1531 CG ASP B 5 -7.338 2.400 -1.491 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -7.462 1.289 -0.926 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -8.055 2.755 -2.452 1.00 0.00 O ATOM 0 HA ASP B 5 -7.949 4.544 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -5.709 3.751 -1.834 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -5.567 2.817 -0.358 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.405 4.777 1.678 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.979 4.713 3.062 1.00 0.00 C ATOM 1541 C LEU B 6 -5.898 5.527 3.951 1.00 0.00 C ATOM 1542 O LEU B 6 -6.356 5.060 4.998 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.546 5.228 3.197 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.520 4.154 3.523 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.013 3.339 4.699 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.261 3.268 2.318 1.00 0.00 C ATOM 0 H LEU B 6 -4.720 5.197 1.050 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.021 3.671 3.380 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.259 5.716 2.266 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.518 5.988 3.977 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.574 4.628 3.786 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.282 2.567 4.938 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.148 3.991 5.562 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -3.964 2.872 4.445 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.524 2.508 2.577 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.190 2.784 2.016 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.883 3.875 1.495 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.159 6.750 3.521 1.00 0.00 N ATOM 1559 CA LEU B 7 -7.036 7.645 4.248 1.00 0.00 C ATOM 1560 C LEU B 7 -8.437 7.065 4.368 1.00 0.00 C ATOM 1561 O LEU B 7 -8.962 6.933 5.471 1.00 0.00 O ATOM 1562 CB LEU B 7 -7.116 9.004 3.551 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.944 9.957 3.812 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -6.030 11.167 2.896 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.939 10.410 5.264 1.00 0.00 C ATOM 0 H LEU B 7 -5.771 7.146 2.665 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.618 7.771 5.247 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.191 8.836 2.477 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -8.037 9.497 3.862 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.017 9.422 3.606 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.191 11.834 3.094 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.996 10.840 1.857 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.965 11.696 3.079 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -5.100 11.086 5.431 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.872 10.927 5.487 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.841 9.542 5.916 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.531 4.183 4.053 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.567 2.931 4.801 1.00 0.00 C ATOM 1599 C TYR B 9 -9.706 3.195 6.298 1.00 0.00 C ATOM 1600 O TYR B 9 -10.618 2.683 6.954 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.299 2.114 4.529 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.233 0.801 5.280 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -9.043 -0.266 4.920 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.355 0.627 6.344 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -8.984 -1.468 5.597 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.289 -0.572 7.026 1.00 0.00 C ATOM 1607 CZ TYR B 9 -8.108 -1.617 6.649 1.00 0.00 C ATOM 1608 OH TYR B 9 -8.046 -2.815 7.324 1.00 0.00 O ATOM 0 HA TYR B 9 -10.436 2.362 4.469 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.233 1.912 3.460 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.429 2.715 4.794 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.732 -0.155 4.096 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.714 1.443 6.642 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -9.622 -2.288 5.303 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -6.601 -0.691 7.850 1.00 0.00 H new ATOM 0 HH TYR B 9 -7.377 -2.754 8.037 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.781 3.976 6.839 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.791 4.308 8.258 1.00 0.00 C ATOM 1620 C TYR B 10 -9.903 5.297 8.597 1.00 0.00 C ATOM 1621 O TYR B 10 -10.729 5.037 9.470 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.428 4.845 8.692 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.368 3.767 8.757 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -6.337 2.868 9.813 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.408 3.641 7.762 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -5.379 1.877 9.881 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.445 2.649 7.823 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.436 1.769 8.885 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.480 0.781 8.954 1.00 0.00 O ATOM 0 H TYR B 10 -8.012 4.393 6.315 1.00 0.00 H new ATOM 0 HA TYR B 10 -8.993 3.392 8.813 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.109 5.620 7.995 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.522 5.315 9.671 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -7.076 2.945 10.596 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.413 4.327 6.928 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.370 1.189 10.713 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.704 2.564 7.042 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.653 0.110 8.261 1.00 0.00 H new