USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=18 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 215 MET CE :methyl -178:sc= -5.46! (180deg=-5.74!) USER MOD Set 1.2: B 9 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: B 10 TYR OH : rot 130:sc= -0.0369 USER MOD Set 2.1: A 198 CYS SG : rot -163:sc= 0.372 USER MOD Set 2.2: A 218 CYS SG : rot -44:sc= -0.242 USER MOD Single : A 155 GLN : amide:sc= 0.552 K(o=0.55,f=-2.6!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 160:sc= -2.64! USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 85:sc= 0.209 USER MOD Single : A 176 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.073) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 LYS NZ :NH3+ -155:sc= 0.749 (180deg=0.422) USER MOD Single : A 183 ASN : amide:sc= -4.81! C(o=-4.8!,f=-7.1!) USER MOD Single : A 186 THR OG1 : rot 80:sc= -0.448! USER MOD Single : A 188 THR OG1 : rot 0:sc= 0.101 USER MOD Single : A 192 GLN : amide:sc= -1.05 K(o=-1,f=-0.0012) USER MOD Single : A 193 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 195 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 199 LYS NZ :NH3+ 157:sc= 0.826 (180deg=0.476) USER MOD Single : A 200 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 60:sc= 1.19 USER MOD Single : A 214 MET CE :methyl 170:sc= -1.31 (180deg=-1.54) USER MOD Single : A 216 THR OG1 : rot 76:sc= 1.22 USER MOD Single : B 2 THR OG1 : rot -160:sc= -0.88 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.222 9.311 5.059 1.00 0.00 N ATOM 171 CA ILE A 150 8.531 8.172 4.421 1.00 0.00 C ATOM 172 C ILE A 150 9.482 7.054 3.945 1.00 0.00 C ATOM 173 O ILE A 150 9.109 5.882 3.945 1.00 0.00 O ATOM 174 CB ILE A 150 7.583 8.616 3.266 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.439 7.613 3.114 1.00 0.00 C ATOM 176 CG2 ILE A 150 8.320 8.757 1.942 1.00 0.00 C ATOM 177 CD1 ILE A 150 5.571 7.489 4.349 1.00 0.00 C ATOM 0 HA ILE A 150 7.919 7.746 5.216 1.00 0.00 H new ATOM 0 HB ILE A 150 7.185 9.596 3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.816 7.911 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 150 6.855 6.635 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 150 7.619 9.068 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 150 9.107 9.505 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.762 7.799 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 150 4.781 6.760 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.181 7.161 5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.126 8.457 4.579 1.00 0.00 H new ATOM 189 N LEU A 151 10.703 7.405 3.567 1.00 0.00 N ATOM 190 CA LEU A 151 11.674 6.423 3.097 1.00 0.00 C ATOM 191 C LEU A 151 12.427 5.800 4.265 1.00 0.00 C ATOM 192 O LEU A 151 13.253 4.908 4.084 1.00 0.00 O ATOM 193 CB LEU A 151 12.651 7.067 2.119 1.00 0.00 C ATOM 194 CG LEU A 151 12.016 7.556 0.815 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.053 8.216 -0.076 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.352 6.395 0.088 1.00 0.00 C ATOM 0 H LEU A 151 11.047 8.365 3.576 1.00 0.00 H new ATOM 0 HA LEU A 151 11.132 5.631 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.135 7.911 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.433 6.347 1.879 1.00 0.00 H new ATOM 0 HG LEU A 151 11.257 8.299 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 151 12.579 8.555 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 151 13.489 9.069 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 151 13.837 7.498 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 151 10.904 6.754 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.099 5.635 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.578 5.963 0.722 1.00 0.00 H new ATOM 208 N ASP A 152 12.130 6.284 5.464 1.00 0.00 N ATOM 209 CA ASP A 152 12.666 5.694 6.681 1.00 0.00 C ATOM 210 C ASP A 152 11.766 4.550 7.111 1.00 0.00 C ATOM 211 O ASP A 152 12.086 3.790 8.030 1.00 0.00 O ATOM 212 CB ASP A 152 12.762 6.722 7.821 1.00 0.00 C ATOM 213 CG ASP A 152 12.300 8.113 7.430 1.00 0.00 C ATOM 214 OD1 ASP A 152 13.161 8.967 7.142 1.00 0.00 O ATOM 215 OD2 ASP A 152 11.074 8.358 7.422 1.00 0.00 O ATOM 0 H ASP A 152 11.519 7.086 5.619 1.00 0.00 H new ATOM 0 HA ASP A 152 13.673 5.335 6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 152 12.164 6.374 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 152 13.795 6.775 8.164 1.00 0.00 H new ATOM 221 N ILE A 153 10.635 4.434 6.431 1.00 0.00 N ATOM 222 CA ILE A 153 9.643 3.421 6.755 1.00 0.00 C ATOM 223 C ILE A 153 9.919 2.130 5.985 1.00 0.00 C ATOM 224 O ILE A 153 9.471 1.958 4.852 1.00 0.00 O ATOM 225 CB ILE A 153 8.207 3.911 6.452 1.00 0.00 C ATOM 226 CG1 ILE A 153 7.933 5.246 7.156 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.184 2.865 6.878 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.065 5.187 8.665 1.00 0.00 C ATOM 0 H ILE A 153 10.381 5.034 5.646 1.00 0.00 H new ATOM 0 HA ILE A 153 9.719 3.226 7.825 1.00 0.00 H new ATOM 0 HB ILE A 153 8.117 4.064 5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 153 8.623 5.996 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 153 6.926 5.579 6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.180 3.227 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.363 1.938 6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.276 2.681 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 153 7.856 6.170 9.087 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.356 4.462 9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.079 4.887 8.930 1.00 0.00 H new ATOM 240 N ARG A 154 10.683 1.243 6.604 1.00 0.00 N ATOM 241 CA ARG A 154 10.973 -0.065 6.033 1.00 0.00 C ATOM 242 C ARG A 154 10.330 -1.157 6.876 1.00 0.00 C ATOM 243 O ARG A 154 10.382 -1.107 8.104 1.00 0.00 O ATOM 244 CB ARG A 154 12.484 -0.295 5.947 1.00 0.00 C ATOM 245 CG ARG A 154 13.125 0.277 4.694 1.00 0.00 C ATOM 246 CD ARG A 154 12.680 -0.478 3.450 1.00 0.00 C ATOM 247 NE ARG A 154 13.407 -0.043 2.259 1.00 0.00 N ATOM 248 CZ ARG A 154 13.464 -0.728 1.117 1.00 0.00 C ATOM 249 NH1 ARG A 154 12.825 -1.890 0.997 1.00 0.00 N ATOM 250 NH2 ARG A 154 14.168 -0.241 0.099 1.00 0.00 N ATOM 0 H ARG A 154 11.118 1.407 7.512 1.00 0.00 H new ATOM 0 HA ARG A 154 10.559 -0.099 5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.959 0.150 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.681 -1.366 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 154 12.861 1.330 4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 154 14.210 0.227 4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 154 12.834 -1.547 3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 154 11.611 -0.329 3.298 1.00 0.00 H new ATOM 0 HE ARG A 154 13.905 0.846 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 154 12.288 -2.260 1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 154 12.872 -2.410 0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 154 14.658 0.648 0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 154 14.218 -0.757 -0.779 1.00 0.00 H new ATOM 264 N GLN A 155 9.729 -2.135 6.215 1.00 0.00 N ATOM 265 CA GLN A 155 9.035 -3.215 6.909 1.00 0.00 C ATOM 266 C GLN A 155 10.037 -4.220 7.468 1.00 0.00 C ATOM 267 O GLN A 155 11.017 -4.564 6.806 1.00 0.00 O ATOM 268 CB GLN A 155 8.084 -3.928 5.947 1.00 0.00 C ATOM 269 CG GLN A 155 7.063 -4.820 6.640 1.00 0.00 C ATOM 270 CD GLN A 155 6.379 -5.775 5.682 1.00 0.00 C ATOM 271 OE1 GLN A 155 6.258 -5.500 4.490 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.919 -6.899 6.200 1.00 0.00 N ATOM 0 H GLN A 155 9.707 -2.205 5.198 1.00 0.00 H new ATOM 0 HA GLN A 155 8.465 -2.785 7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 155 7.557 -3.182 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.669 -4.532 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.558 -5.391 7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.311 -4.197 7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 155 6.040 -7.089 7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 155 5.443 -7.577 5.605 1.00 0.00 H new ATOM 281 N GLY A 156 9.794 -4.679 8.687 1.00 0.00 N ATOM 282 CA GLY A 156 10.628 -5.708 9.273 1.00 0.00 C ATOM 283 C GLY A 156 10.260 -7.082 8.749 1.00 0.00 C ATOM 284 O GLY A 156 9.123 -7.290 8.328 1.00 0.00 O ATOM 0 H GLY A 156 9.031 -4.356 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.675 -5.500 9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.523 -5.690 10.358 1.00 0.00 H new ATOM 288 N PRO A 157 11.199 -8.040 8.766 1.00 0.00 N ATOM 289 CA PRO A 157 10.975 -9.393 8.232 1.00 0.00 C ATOM 290 C PRO A 157 9.759 -10.085 8.854 1.00 0.00 C ATOM 291 O PRO A 157 8.955 -10.702 8.149 1.00 0.00 O ATOM 292 CB PRO A 157 12.265 -10.150 8.589 1.00 0.00 C ATOM 293 CG PRO A 157 12.958 -9.302 9.602 1.00 0.00 C ATOM 294 CD PRO A 157 12.556 -7.886 9.306 1.00 0.00 C ATOM 0 HA PRO A 157 10.765 -9.366 7.163 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.042 -11.138 8.991 1.00 0.00 H new ATOM 0 HB3 PRO A 157 12.890 -10.298 7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.667 -9.586 10.613 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.039 -9.422 9.536 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.567 -7.266 10.203 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.227 -7.417 8.586 1.00 0.00 H new ATOM 302 N LYS A 158 9.615 -9.970 10.169 1.00 0.00 N ATOM 303 CA LYS A 158 8.498 -10.590 10.871 1.00 0.00 C ATOM 304 C LYS A 158 7.468 -9.542 11.263 1.00 0.00 C ATOM 305 O LYS A 158 6.548 -9.811 12.038 1.00 0.00 O ATOM 306 CB LYS A 158 8.981 -11.318 12.123 1.00 0.00 C ATOM 307 CG LYS A 158 9.966 -12.439 11.847 1.00 0.00 C ATOM 308 CD LYS A 158 10.307 -13.178 13.127 1.00 0.00 C ATOM 309 CE LYS A 158 11.296 -14.303 12.886 1.00 0.00 C ATOM 310 NZ LYS A 158 11.540 -15.090 14.121 1.00 0.00 N ATOM 0 H LYS A 158 10.257 -9.454 10.770 1.00 0.00 H new ATOM 0 HA LYS A 158 8.039 -11.312 10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.447 -10.596 12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.118 -11.728 12.647 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.541 -13.133 11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 158 10.874 -12.031 11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.724 -12.477 13.850 1.00 0.00 H new ATOM 0 HD3 LYS A 158 9.395 -13.584 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 158 10.916 -14.961 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 158 12.238 -13.889 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 12.221 -15.850 13.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 11.925 -14.467 14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 10.645 -15.505 14.451 1.00 0.00 H new ATOM 324 N GLU A 159 7.629 -8.351 10.720 1.00 0.00 N ATOM 325 CA GLU A 159 6.770 -7.235 11.052 1.00 0.00 C ATOM 326 C GLU A 159 5.532 -7.240 10.162 1.00 0.00 C ATOM 327 O GLU A 159 5.640 -7.219 8.933 1.00 0.00 O ATOM 328 CB GLU A 159 7.557 -5.941 10.894 1.00 0.00 C ATOM 329 CG GLU A 159 6.816 -4.688 11.313 1.00 0.00 C ATOM 330 CD GLU A 159 7.758 -3.516 11.464 1.00 0.00 C ATOM 331 OE1 GLU A 159 8.229 -2.994 10.435 1.00 0.00 O ATOM 332 OE2 GLU A 159 8.050 -3.126 12.616 1.00 0.00 O ATOM 0 H GLU A 159 8.356 -8.132 10.039 1.00 0.00 H new ATOM 0 HA GLU A 159 6.434 -7.320 12.085 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.473 -6.016 11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.853 -5.838 9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 159 6.052 -4.450 10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 159 6.300 -4.867 12.257 1.00 0.00 H new ATOM 340 N PRO A 160 4.340 -7.296 10.779 1.00 0.00 N ATOM 341 CA PRO A 160 3.067 -7.338 10.057 1.00 0.00 C ATOM 342 C PRO A 160 2.878 -6.134 9.142 1.00 0.00 C ATOM 343 O PRO A 160 3.128 -4.991 9.529 1.00 0.00 O ATOM 344 CB PRO A 160 2.009 -7.335 11.172 1.00 0.00 C ATOM 345 CG PRO A 160 2.721 -6.875 12.395 1.00 0.00 C ATOM 346 CD PRO A 160 4.144 -7.319 12.237 1.00 0.00 C ATOM 0 HA PRO A 160 3.006 -8.207 9.402 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.182 -6.669 10.926 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.586 -8.330 11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.660 -5.792 12.498 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.275 -7.306 13.291 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.835 -6.648 12.747 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.304 -8.315 12.650 1.00 0.00 H new ATOM 354 N PHE A 161 2.425 -6.414 7.925 1.00 0.00 N ATOM 355 CA PHE A 161 2.178 -5.388 6.918 1.00 0.00 C ATOM 356 C PHE A 161 1.130 -4.398 7.422 1.00 0.00 C ATOM 357 O PHE A 161 1.142 -3.220 7.065 1.00 0.00 O ATOM 358 CB PHE A 161 1.716 -6.053 5.616 1.00 0.00 C ATOM 359 CG PHE A 161 1.562 -5.113 4.455 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.674 -4.662 3.760 1.00 0.00 C ATOM 361 CD2 PHE A 161 0.308 -4.686 4.053 1.00 0.00 C ATOM 362 CE1 PHE A 161 2.535 -3.803 2.689 1.00 0.00 C ATOM 363 CE2 PHE A 161 0.162 -3.828 2.983 1.00 0.00 C ATOM 364 CZ PHE A 161 1.278 -3.386 2.299 1.00 0.00 C ATOM 0 H PHE A 161 2.218 -7.361 7.608 1.00 0.00 H new ATOM 0 HA PHE A 161 3.099 -4.838 6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 161 2.432 -6.829 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.762 -6.548 5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.659 -4.987 4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.567 -5.029 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 161 3.409 -3.457 2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -0.822 -3.502 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.167 -2.715 1.460 1.00 0.00 H new ATOM 374 N ARG A 162 0.241 -4.893 8.274 1.00 0.00 N ATOM 375 CA ARG A 162 -0.772 -4.064 8.915 1.00 0.00 C ATOM 376 C ARG A 162 -0.124 -2.962 9.749 1.00 0.00 C ATOM 377 O ARG A 162 -0.516 -1.797 9.675 1.00 0.00 O ATOM 378 CB ARG A 162 -1.672 -4.933 9.794 1.00 0.00 C ATOM 379 CG ARG A 162 -2.561 -5.879 9.003 1.00 0.00 C ATOM 380 CD ARG A 162 -3.215 -6.925 9.896 1.00 0.00 C ATOM 381 NE ARG A 162 -3.899 -6.340 11.050 1.00 0.00 N ATOM 382 CZ ARG A 162 -5.144 -6.660 11.421 1.00 0.00 C ATOM 383 NH1 ARG A 162 -5.875 -7.492 10.683 1.00 0.00 N ATOM 384 NH2 ARG A 162 -5.658 -6.147 12.532 1.00 0.00 N ATOM 0 H ARG A 162 0.202 -5.877 8.539 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.376 -3.592 8.140 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -1.050 -5.515 10.474 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.299 -4.287 10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.333 -5.307 8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.969 -6.377 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.931 -7.501 9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -2.455 -7.623 10.246 1.00 0.00 H new ATOM 0 HE ARG A 162 -3.397 -5.647 11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.487 -7.890 9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.823 -7.731 10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.104 -5.509 13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.607 -6.391 12.815 1.00 0.00 H new ATOM 398 N ASP A 163 0.879 -3.339 10.528 1.00 0.00 N ATOM 399 CA ASP A 163 1.597 -2.388 11.371 1.00 0.00 C ATOM 400 C ASP A 163 2.568 -1.554 10.547 1.00 0.00 C ATOM 401 O ASP A 163 2.889 -0.421 10.907 1.00 0.00 O ATOM 402 CB ASP A 163 2.336 -3.112 12.498 1.00 0.00 C ATOM 403 CG ASP A 163 1.409 -3.542 13.619 1.00 0.00 C ATOM 404 OD1 ASP A 163 0.525 -4.391 13.379 1.00 0.00 O ATOM 405 OD2 ASP A 163 1.565 -3.034 14.754 1.00 0.00 O ATOM 0 H ASP A 163 1.217 -4.299 10.596 1.00 0.00 H new ATOM 0 HA ASP A 163 0.864 -1.716 11.816 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.841 -3.989 12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.108 -2.457 12.901 1.00 0.00 H new ATOM 411 N TYR A 164 3.045 -2.128 9.451 1.00 0.00 N ATOM 412 CA TYR A 164 3.894 -1.405 8.512 1.00 0.00 C ATOM 413 C TYR A 164 3.174 -0.167 7.977 1.00 0.00 C ATOM 414 O TYR A 164 3.689 0.950 8.071 1.00 0.00 O ATOM 415 CB TYR A 164 4.307 -2.331 7.361 1.00 0.00 C ATOM 416 CG TYR A 164 4.889 -1.608 6.162 1.00 0.00 C ATOM 417 CD1 TYR A 164 6.094 -0.922 6.248 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.226 -1.618 4.941 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.620 -0.264 5.153 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.745 -0.966 3.841 1.00 0.00 C ATOM 421 CZ TYR A 164 5.941 -0.289 3.953 1.00 0.00 C ATOM 422 OH TYR A 164 6.460 0.362 2.860 1.00 0.00 O ATOM 0 H TYR A 164 2.858 -3.096 9.189 1.00 0.00 H new ATOM 0 HA TYR A 164 4.791 -1.073 9.034 1.00 0.00 H new ATOM 0 HB2 TYR A 164 5.041 -3.047 7.731 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.437 -2.903 7.039 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.628 -0.903 7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.288 -2.145 4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.557 0.267 5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.218 -0.986 2.899 1.00 0.00 H new ATOM 0 HH TYR A 164 6.060 -0.001 2.042 1.00 0.00 H new ATOM 432 N VAL A 165 1.975 -0.367 7.436 1.00 0.00 N ATOM 433 CA VAL A 165 1.181 0.735 6.903 1.00 0.00 C ATOM 434 C VAL A 165 0.748 1.679 8.022 1.00 0.00 C ATOM 435 O VAL A 165 0.597 2.877 7.801 1.00 0.00 O ATOM 436 CB VAL A 165 -0.052 0.225 6.120 1.00 0.00 C ATOM 437 CG1 VAL A 165 -0.984 1.372 5.751 1.00 0.00 C ATOM 438 CG2 VAL A 165 0.393 -0.503 4.865 1.00 0.00 C ATOM 0 H VAL A 165 1.532 -1.282 7.355 1.00 0.00 H new ATOM 0 HA VAL A 165 1.813 1.285 6.205 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.599 -0.464 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.841 0.982 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.329 1.867 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -0.449 2.089 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.482 -0.858 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.962 0.178 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 165 1.019 -1.352 5.140 1.00 0.00 H new ATOM 448 N ASP A 166 0.595 1.133 9.225 1.00 0.00 N ATOM 449 CA ASP A 166 0.209 1.924 10.396 1.00 0.00 C ATOM 450 C ASP A 166 1.111 3.144 10.560 1.00 0.00 C ATOM 451 O ASP A 166 0.627 4.269 10.699 1.00 0.00 O ATOM 452 CB ASP A 166 0.272 1.051 11.656 1.00 0.00 C ATOM 453 CG ASP A 166 0.200 1.849 12.947 1.00 0.00 C ATOM 454 OD1 ASP A 166 1.260 2.303 13.430 1.00 0.00 O ATOM 455 OD2 ASP A 166 -0.908 2.004 13.499 1.00 0.00 O ATOM 0 H ASP A 166 0.733 0.141 9.418 1.00 0.00 H new ATOM 0 HA ASP A 166 -0.812 2.277 10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.549 0.335 11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 166 1.198 0.475 11.644 1.00 0.00 H new ATOM 461 N ARG A 167 2.419 2.927 10.502 1.00 0.00 N ATOM 462 CA ARG A 167 3.370 4.016 10.681 1.00 0.00 C ATOM 463 C ARG A 167 3.626 4.735 9.358 1.00 0.00 C ATOM 464 O ARG A 167 3.893 5.936 9.339 1.00 0.00 O ATOM 465 CB ARG A 167 4.677 3.501 11.291 1.00 0.00 C ATOM 466 CG ARG A 167 5.472 2.589 10.377 1.00 0.00 C ATOM 467 CD ARG A 167 6.589 1.895 11.132 1.00 0.00 C ATOM 468 NE ARG A 167 6.068 0.927 12.097 1.00 0.00 N ATOM 469 CZ ARG A 167 6.716 -0.176 12.463 1.00 0.00 C ATOM 470 NH1 ARG A 167 7.945 -0.402 12.025 1.00 0.00 N ATOM 471 NH2 ARG A 167 6.143 -1.046 13.287 1.00 0.00 N ATOM 0 H ARG A 167 2.843 2.015 10.334 1.00 0.00 H new ATOM 0 HA ARG A 167 2.937 4.736 11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.298 4.354 11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.449 2.965 12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.810 1.844 9.936 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.891 3.169 9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 167 7.246 1.387 10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 167 7.194 2.638 11.652 1.00 0.00 H new ATOM 0 HE ARG A 167 5.155 1.108 12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 167 8.397 0.270 11.405 1.00 0.00 H new ATOM 0 HH12 ARG A 167 8.439 -1.248 12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 167 5.203 -0.870 13.642 1.00 0.00 H new ATOM 0 HH22 ARG A 167 6.643 -1.890 13.565 1.00 0.00 H new ATOM 485 N PHE A 168 3.529 3.997 8.258 1.00 0.00 N ATOM 486 CA PHE A 168 3.694 4.570 6.927 1.00 0.00 C ATOM 487 C PHE A 168 2.634 5.646 6.691 1.00 0.00 C ATOM 488 O PHE A 168 2.943 6.773 6.311 1.00 0.00 O ATOM 489 CB PHE A 168 3.583 3.458 5.871 1.00 0.00 C ATOM 490 CG PHE A 168 3.818 3.908 4.456 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.789 4.466 3.714 1.00 0.00 C ATOM 492 CD2 PHE A 168 5.062 3.762 3.862 1.00 0.00 C ATOM 493 CE1 PHE A 168 2.995 4.874 2.413 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.274 4.170 2.556 1.00 0.00 C ATOM 495 CZ PHE A 168 4.239 4.727 1.831 1.00 0.00 C ATOM 0 H PHE A 168 3.336 2.995 8.262 1.00 0.00 H new ATOM 0 HA PHE A 168 4.678 5.032 6.847 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.301 2.674 6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.590 3.012 5.936 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.813 4.583 4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.874 3.325 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.183 5.309 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.248 4.053 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.402 5.047 0.812 1.00 0.00 H new ATOM 505 N TYR A 169 1.390 5.283 6.967 1.00 0.00 N ATOM 506 CA TYR A 169 0.249 6.164 6.773 1.00 0.00 C ATOM 507 C TYR A 169 0.350 7.421 7.643 1.00 0.00 C ATOM 508 O TYR A 169 0.118 8.533 7.166 1.00 0.00 O ATOM 509 CB TYR A 169 -1.041 5.377 7.058 1.00 0.00 C ATOM 510 CG TYR A 169 -2.134 6.131 7.790 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.825 7.176 7.187 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.489 5.771 9.083 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.842 7.831 7.853 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.499 6.426 9.755 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.173 7.457 9.136 1.00 0.00 C ATOM 516 OH TYR A 169 -5.189 8.104 9.798 1.00 0.00 O ATOM 0 H TYR A 169 1.143 4.364 7.334 1.00 0.00 H new ATOM 0 HA TYR A 169 0.236 6.510 5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.444 5.024 6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.782 4.494 7.643 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.563 7.480 6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -1.964 4.963 9.571 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.376 8.635 7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -3.761 6.133 10.761 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.295 7.718 10.692 1.00 0.00 H new ATOM 526 N LYS A 170 0.715 7.248 8.910 1.00 0.00 N ATOM 527 CA LYS A 170 0.742 8.365 9.848 1.00 0.00 C ATOM 528 C LYS A 170 1.914 9.311 9.567 1.00 0.00 C ATOM 529 O LYS A 170 1.773 10.531 9.687 1.00 0.00 O ATOM 530 CB LYS A 170 0.767 7.855 11.294 1.00 0.00 C ATOM 531 CG LYS A 170 2.046 7.137 11.697 1.00 0.00 C ATOM 532 CD LYS A 170 1.804 6.176 12.852 1.00 0.00 C ATOM 533 CE LYS A 170 1.164 6.863 14.049 1.00 0.00 C ATOM 534 NZ LYS A 170 0.687 5.879 15.057 1.00 0.00 N ATOM 0 H LYS A 170 0.994 6.352 9.309 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.172 8.941 9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 170 0.615 8.701 11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -0.074 7.177 11.440 1.00 0.00 H new ATOM 0 HG2 LYS A 170 2.442 6.588 10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 170 2.801 7.869 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 170 1.161 5.362 12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 170 2.751 5.730 13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.886 7.537 14.511 1.00 0.00 H new ATOM 0 HE3 LYS A 170 0.327 7.475 13.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 0.257 6.384 15.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -0.020 5.252 14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 1.490 5.312 15.396 1.00 0.00 H new ATOM 548 N THR A 171 3.058 8.758 9.174 1.00 0.00 N ATOM 549 CA THR A 171 4.207 9.579 8.809 1.00 0.00 C ATOM 550 C THR A 171 3.932 10.315 7.497 1.00 0.00 C ATOM 551 O THR A 171 4.312 11.471 7.322 1.00 0.00 O ATOM 552 CB THR A 171 5.485 8.718 8.680 1.00 0.00 C ATOM 553 OG1 THR A 171 5.839 8.164 9.956 1.00 0.00 O ATOM 554 CG2 THR A 171 6.654 9.529 8.138 1.00 0.00 C ATOM 0 H THR A 171 3.213 7.753 9.101 1.00 0.00 H new ATOM 0 HA THR A 171 4.369 10.310 9.601 1.00 0.00 H new ATOM 0 HB THR A 171 5.270 7.914 7.976 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.335 7.337 10.105 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.535 8.891 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.401 9.918 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.865 10.359 8.813 1.00 0.00 H new ATOM 562 N LEU A 172 3.224 9.643 6.600 1.00 0.00 N ATOM 563 CA LEU A 172 2.896 10.196 5.293 1.00 0.00 C ATOM 564 C LEU A 172 1.941 11.389 5.418 1.00 0.00 C ATOM 565 O LEU A 172 1.892 12.257 4.539 1.00 0.00 O ATOM 566 CB LEU A 172 2.290 9.096 4.422 1.00 0.00 C ATOM 567 CG LEU A 172 2.049 9.450 2.956 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.260 10.149 2.354 1.00 0.00 C ATOM 569 CD2 LEU A 172 1.741 8.190 2.170 1.00 0.00 C ATOM 0 H LEU A 172 2.862 8.702 6.757 1.00 0.00 H new ATOM 0 HA LEU A 172 3.808 10.565 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 172 2.948 8.228 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.339 8.796 4.862 1.00 0.00 H new ATOM 0 HG LEU A 172 1.201 10.132 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.060 10.389 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 172 3.461 11.067 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.127 9.492 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 172 1.570 8.446 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.583 7.502 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 172 0.849 7.715 2.578 1.00 0.00 H new ATOM 581 N ARG A 173 1.184 11.432 6.510 1.00 0.00 N ATOM 582 CA ARG A 173 0.324 12.577 6.799 1.00 0.00 C ATOM 583 C ARG A 173 1.161 13.794 7.194 1.00 0.00 C ATOM 584 O ARG A 173 0.694 14.930 7.125 1.00 0.00 O ATOM 585 CB ARG A 173 -0.667 12.249 7.917 1.00 0.00 C ATOM 586 CG ARG A 173 -1.693 11.211 7.518 1.00 0.00 C ATOM 587 CD ARG A 173 -2.685 10.928 8.626 1.00 0.00 C ATOM 588 NE ARG A 173 -3.659 12.007 8.774 1.00 0.00 N ATOM 589 CZ ARG A 173 -4.477 12.132 9.815 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.390 11.290 10.838 1.00 0.00 N ATOM 591 NH2 ARG A 173 -5.375 13.105 9.830 1.00 0.00 N ATOM 0 H ARG A 173 1.148 10.690 7.209 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.235 12.809 5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -0.117 11.891 8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -1.181 13.162 8.218 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -2.229 11.554 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -1.184 10.287 7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.207 9.994 8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.150 10.790 9.566 1.00 0.00 H new ATOM 0 HE ARG A 173 -3.715 12.707 8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -3.694 10.544 10.827 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -5.019 11.389 11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.437 13.754 9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.005 13.205 10.626 1.00 0.00 H new ATOM 605 N ALA A 174 2.402 13.549 7.600 1.00 0.00 N ATOM 606 CA ALA A 174 3.290 14.613 8.051 1.00 0.00 C ATOM 607 C ALA A 174 4.366 14.907 7.010 1.00 0.00 C ATOM 608 O ALA A 174 5.324 15.635 7.277 1.00 0.00 O ATOM 609 CB ALA A 174 3.923 14.239 9.384 1.00 0.00 C ATOM 0 H ALA A 174 2.817 12.618 7.626 1.00 0.00 H new ATOM 0 HA ALA A 174 2.698 15.518 8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.584 15.042 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.141 14.087 10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.497 13.320 9.269 1.00 0.00 H new ATOM 615 N GLU A 175 4.209 14.335 5.826 1.00 0.00 N ATOM 616 CA GLU A 175 5.128 14.595 4.730 1.00 0.00 C ATOM 617 C GLU A 175 4.778 15.907 4.043 1.00 0.00 C ATOM 618 O GLU A 175 3.642 16.104 3.608 1.00 0.00 O ATOM 619 CB GLU A 175 5.097 13.451 3.715 1.00 0.00 C ATOM 620 CG GLU A 175 5.780 12.185 4.200 1.00 0.00 C ATOM 621 CD GLU A 175 7.258 12.391 4.446 1.00 0.00 C ATOM 622 OE1 GLU A 175 7.648 12.583 5.612 1.00 0.00 O ATOM 623 OE2 GLU A 175 8.035 12.383 3.463 1.00 0.00 O ATOM 0 H GLU A 175 3.454 13.688 5.600 1.00 0.00 H new ATOM 0 HA GLU A 175 6.135 14.669 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.060 13.222 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.577 13.782 2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.304 11.847 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.643 11.395 3.462 1.00 0.00 H new ATOM 631 N GLN A 176 5.749 16.804 3.952 1.00 0.00 N ATOM 632 CA GLN A 176 5.539 18.092 3.305 1.00 0.00 C ATOM 633 C GLN A 176 5.611 17.948 1.790 1.00 0.00 C ATOM 634 O GLN A 176 6.592 18.336 1.150 1.00 0.00 O ATOM 635 CB GLN A 176 6.550 19.130 3.797 1.00 0.00 C ATOM 636 CG GLN A 176 6.138 19.827 5.088 1.00 0.00 C ATOM 637 CD GLN A 176 6.112 18.907 6.295 1.00 0.00 C ATOM 638 OE1 GLN A 176 5.288 19.074 7.194 1.00 0.00 O ATOM 639 NE2 GLN A 176 7.032 17.958 6.350 1.00 0.00 N ATOM 0 H GLN A 176 6.691 16.664 4.318 1.00 0.00 H new ATOM 0 HA GLN A 176 4.542 18.443 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 176 7.512 18.642 3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 176 6.693 19.881 3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 176 6.827 20.649 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 176 5.149 20.265 4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 176 7.699 17.849 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 176 7.075 17.335 7.157 1.00 0.00 H new ATOM 648 N ALA A 177 4.556 17.376 1.235 1.00 0.00 N ATOM 649 CA ALA A 177 4.434 17.165 -0.197 1.00 0.00 C ATOM 650 C ALA A 177 2.974 17.286 -0.597 1.00 0.00 C ATOM 651 O ALA A 177 2.086 17.085 0.234 1.00 0.00 O ATOM 652 CB ALA A 177 4.970 15.792 -0.577 1.00 0.00 C ATOM 0 H ALA A 177 3.754 17.043 1.770 1.00 0.00 H new ATOM 0 HA ALA A 177 5.019 17.919 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.872 15.648 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 177 6.021 15.721 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.402 15.022 -0.055 1.00 0.00 H new ATOM 658 N SER A 178 2.725 17.615 -1.853 1.00 0.00 N ATOM 659 CA SER A 178 1.364 17.740 -2.345 1.00 0.00 C ATOM 660 C SER A 178 0.680 16.374 -2.349 1.00 0.00 C ATOM 661 O SER A 178 1.302 15.377 -2.721 1.00 0.00 O ATOM 662 CB SER A 178 1.366 18.347 -3.748 1.00 0.00 C ATOM 663 OG SER A 178 2.108 19.556 -3.774 1.00 0.00 O ATOM 0 H SER A 178 3.447 17.800 -2.550 1.00 0.00 H new ATOM 0 HA SER A 178 0.806 18.403 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.795 17.637 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 178 0.342 18.537 -4.068 1.00 0.00 H new ATOM 0 HG SER A 178 2.098 19.927 -4.681 1.00 0.00 H new ATOM 669 N GLN A 179 -0.575 16.332 -1.908 1.00 0.00 N ATOM 670 CA GLN A 179 -1.297 15.073 -1.710 1.00 0.00 C ATOM 671 C GLN A 179 -1.185 14.139 -2.911 1.00 0.00 C ATOM 672 O GLN A 179 -0.761 12.992 -2.764 1.00 0.00 O ATOM 673 CB GLN A 179 -2.770 15.346 -1.394 1.00 0.00 C ATOM 674 CG GLN A 179 -2.985 16.031 -0.054 1.00 0.00 C ATOM 675 CD GLN A 179 -4.451 16.286 0.239 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.133 15.450 0.837 1.00 0.00 O ATOM 677 NE2 GLN A 179 -4.945 17.441 -0.176 1.00 0.00 N ATOM 0 H GLN A 179 -1.119 17.163 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 179 -0.829 14.570 -0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.194 15.967 -2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.316 14.403 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -2.561 15.414 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -2.445 16.978 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -4.346 18.105 -0.667 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -5.925 17.668 -0.005 1.00 0.00 H new ATOM 686 N GLU A 180 -1.533 14.637 -4.093 1.00 0.00 N ATOM 687 CA GLU A 180 -1.517 13.819 -5.303 1.00 0.00 C ATOM 688 C GLU A 180 -0.114 13.296 -5.592 1.00 0.00 C ATOM 689 O GLU A 180 0.061 12.147 -5.999 1.00 0.00 O ATOM 690 CB GLU A 180 -2.035 14.616 -6.500 1.00 0.00 C ATOM 691 CG GLU A 180 -3.473 15.079 -6.350 1.00 0.00 C ATOM 692 CD GLU A 180 -3.974 15.797 -7.581 1.00 0.00 C ATOM 693 OE1 GLU A 180 -4.441 15.120 -8.520 1.00 0.00 O ATOM 694 OE2 GLU A 180 -3.897 17.040 -7.621 1.00 0.00 O ATOM 0 H GLU A 180 -1.829 15.602 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 180 -2.175 12.966 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -1.396 15.487 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.952 14.002 -7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -4.111 14.218 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -3.551 15.742 -5.488 1.00 0.00 H new ATOM 702 N VAL A 181 0.880 14.141 -5.360 1.00 0.00 N ATOM 703 CA VAL A 181 2.271 13.755 -5.539 1.00 0.00 C ATOM 704 C VAL A 181 2.633 12.638 -4.568 1.00 0.00 C ATOM 705 O VAL A 181 3.272 11.653 -4.943 1.00 0.00 O ATOM 706 CB VAL A 181 3.218 14.953 -5.320 1.00 0.00 C ATOM 707 CG1 VAL A 181 4.669 14.542 -5.502 1.00 0.00 C ATOM 708 CG2 VAL A 181 2.864 16.094 -6.259 1.00 0.00 C ATOM 0 H VAL A 181 0.747 15.102 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 181 2.390 13.404 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 181 3.092 15.298 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.315 15.406 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 181 4.920 13.763 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 181 4.815 14.162 -6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.543 16.929 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 181 2.955 15.757 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 181 1.840 16.415 -6.071 1.00 0.00 H new ATOM 718 N LYS A 182 2.200 12.790 -3.318 1.00 0.00 N ATOM 719 CA LYS A 182 2.441 11.775 -2.303 1.00 0.00 C ATOM 720 C LYS A 182 1.751 10.472 -2.672 1.00 0.00 C ATOM 721 O LYS A 182 2.291 9.396 -2.437 1.00 0.00 O ATOM 722 CB LYS A 182 1.972 12.239 -0.923 1.00 0.00 C ATOM 723 CG LYS A 182 2.809 13.371 -0.352 1.00 0.00 C ATOM 724 CD LYS A 182 2.484 13.641 1.109 1.00 0.00 C ATOM 725 CE LYS A 182 1.056 14.117 1.289 1.00 0.00 C ATOM 726 NZ LYS A 182 0.690 14.249 2.724 1.00 0.00 N ATOM 0 H LYS A 182 1.682 13.605 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 182 3.517 11.608 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.933 12.563 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.999 11.394 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 182 3.866 13.124 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 182 2.639 14.277 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 182 2.640 12.732 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 182 3.170 14.392 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 182 0.929 15.079 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.376 13.416 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 -0.340 14.156 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 1.163 13.503 3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 0.991 15.181 3.075 1.00 0.00 H new ATOM 740 N ASN A 183 0.557 10.575 -3.249 1.00 0.00 N ATOM 741 CA ASN A 183 -0.192 9.396 -3.683 1.00 0.00 C ATOM 742 C ASN A 183 0.621 8.582 -4.677 1.00 0.00 C ATOM 743 O ASN A 183 0.799 7.376 -4.506 1.00 0.00 O ATOM 744 CB ASN A 183 -1.525 9.775 -4.337 1.00 0.00 C ATOM 745 CG ASN A 183 -2.465 10.533 -3.416 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.431 10.369 -2.203 1.00 0.00 O ATOM 747 ND2 ASN A 183 -3.322 11.363 -3.995 1.00 0.00 N ATOM 0 H ASN A 183 0.086 11.462 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.394 8.805 -2.789 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.326 10.384 -5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -2.021 8.868 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.983 11.892 -3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.320 11.473 -5.009 1.00 0.00 H new ATOM 754 N ALA A 184 1.116 9.255 -5.711 1.00 0.00 N ATOM 755 CA ALA A 184 1.911 8.606 -6.748 1.00 0.00 C ATOM 756 C ALA A 184 3.161 7.968 -6.156 1.00 0.00 C ATOM 757 O ALA A 184 3.571 6.877 -6.563 1.00 0.00 O ATOM 758 CB ALA A 184 2.292 9.607 -7.825 1.00 0.00 C ATOM 0 H ALA A 184 0.979 10.256 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 184 1.306 7.818 -7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.885 9.108 -8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.389 10.019 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 184 2.876 10.413 -7.382 1.00 0.00 H new ATOM 764 N ALA A 185 3.769 8.662 -5.204 1.00 0.00 N ATOM 765 CA ALA A 185 4.924 8.135 -4.496 1.00 0.00 C ATOM 766 C ALA A 185 4.535 6.908 -3.678 1.00 0.00 C ATOM 767 O ALA A 185 5.227 5.898 -3.694 1.00 0.00 O ATOM 768 CB ALA A 185 5.529 9.207 -3.600 1.00 0.00 C ATOM 0 H ALA A 185 3.480 9.593 -4.905 1.00 0.00 H new ATOM 0 HA ALA A 185 5.673 7.834 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.393 8.798 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.842 10.056 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.786 9.536 -2.873 1.00 0.00 H new ATOM 774 N THR A 186 3.404 6.999 -2.994 1.00 0.00 N ATOM 775 CA THR A 186 2.920 5.918 -2.147 1.00 0.00 C ATOM 776 C THR A 186 2.769 4.619 -2.925 1.00 0.00 C ATOM 777 O THR A 186 3.213 3.566 -2.468 1.00 0.00 O ATOM 778 CB THR A 186 1.564 6.277 -1.516 1.00 0.00 C ATOM 779 OG1 THR A 186 1.680 7.493 -0.773 1.00 0.00 O ATOM 780 CG2 THR A 186 1.061 5.166 -0.606 1.00 0.00 C ATOM 0 H THR A 186 2.798 7.820 -3.010 1.00 0.00 H new ATOM 0 HA THR A 186 3.664 5.778 -1.363 1.00 0.00 H new ATOM 0 HB THR A 186 0.843 6.406 -2.323 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.641 8.256 -1.386 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.101 5.453 -0.177 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.941 4.249 -1.183 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.781 4.998 0.195 1.00 0.00 H new ATOM 788 N GLU A 187 2.167 4.708 -4.104 1.00 0.00 N ATOM 789 CA GLU A 187 1.880 3.534 -4.916 1.00 0.00 C ATOM 790 C GLU A 187 3.139 2.707 -5.181 1.00 0.00 C ATOM 791 O GLU A 187 3.075 1.482 -5.290 1.00 0.00 O ATOM 792 CB GLU A 187 1.250 3.953 -6.240 1.00 0.00 C ATOM 793 CG GLU A 187 -0.088 4.664 -6.094 1.00 0.00 C ATOM 794 CD GLU A 187 -1.114 4.144 -7.077 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.927 3.275 -6.691 1.00 0.00 O ATOM 796 OE2 GLU A 187 -1.105 4.587 -8.242 1.00 0.00 O ATOM 0 H GLU A 187 1.866 5.589 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 187 1.180 2.911 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 187 1.942 4.609 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 187 1.113 3.068 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.460 4.533 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 187 0.051 5.734 -6.247 1.00 0.00 H new ATOM 804 N THR A 188 4.275 3.378 -5.277 1.00 0.00 N ATOM 805 CA THR A 188 5.533 2.699 -5.531 1.00 0.00 C ATOM 806 C THR A 188 6.286 2.406 -4.231 1.00 0.00 C ATOM 807 O THR A 188 6.773 1.297 -4.020 1.00 0.00 O ATOM 808 CB THR A 188 6.422 3.528 -6.479 1.00 0.00 C ATOM 809 OG1 THR A 188 6.528 4.879 -6.003 1.00 0.00 O ATOM 810 CG2 THR A 188 5.854 3.530 -7.890 1.00 0.00 C ATOM 0 H THR A 188 4.351 4.391 -5.183 1.00 0.00 H new ATOM 0 HA THR A 188 5.297 1.748 -6.009 1.00 0.00 H new ATOM 0 HB THR A 188 7.412 3.072 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 188 6.012 4.976 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 188 6.498 4.121 -8.541 1.00 0.00 H new ATOM 0 HG22 THR A 188 5.802 2.507 -8.263 1.00 0.00 H new ATOM 0 HG23 THR A 188 4.854 3.963 -7.879 1.00 0.00 H new ATOM 818 N LEU A 189 6.357 3.404 -3.353 1.00 0.00 N ATOM 819 CA LEU A 189 7.125 3.299 -2.113 1.00 0.00 C ATOM 820 C LEU A 189 6.547 2.252 -1.166 1.00 0.00 C ATOM 821 O LEU A 189 7.289 1.474 -0.567 1.00 0.00 O ATOM 822 CB LEU A 189 7.173 4.654 -1.404 1.00 0.00 C ATOM 823 CG LEU A 189 7.789 5.791 -2.220 1.00 0.00 C ATOM 824 CD1 LEU A 189 7.688 7.101 -1.458 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.237 5.480 -2.563 1.00 0.00 C ATOM 0 H LEU A 189 5.888 4.301 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 189 8.133 2.986 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 189 6.158 4.937 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.739 4.543 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 189 7.233 5.890 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.130 7.902 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 189 6.640 7.329 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 189 8.221 7.013 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.658 6.301 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.810 5.355 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.283 4.561 -3.147 1.00 0.00 H new ATOM 837 N LEU A 190 5.226 2.231 -1.044 1.00 0.00 N ATOM 838 CA LEU A 190 4.552 1.332 -0.115 1.00 0.00 C ATOM 839 C LEU A 190 4.845 -0.126 -0.454 1.00 0.00 C ATOM 840 O LEU A 190 5.051 -0.950 0.434 1.00 0.00 O ATOM 841 CB LEU A 190 3.043 1.605 -0.130 1.00 0.00 C ATOM 842 CG LEU A 190 2.190 0.731 0.792 1.00 0.00 C ATOM 843 CD1 LEU A 190 1.044 1.543 1.369 1.00 0.00 C ATOM 844 CD2 LEU A 190 1.644 -0.471 0.036 1.00 0.00 C ATOM 0 H LEU A 190 4.597 2.829 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 190 4.933 1.518 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.881 2.648 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.682 1.480 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 190 2.820 0.373 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 190 0.444 0.911 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 190 1.443 2.381 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 190 0.421 1.921 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 190 1.040 -1.080 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.028 -0.129 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 190 2.472 -1.067 -0.348 1.00 0.00 H new ATOM 856 N VAL A 191 4.874 -0.432 -1.741 1.00 0.00 N ATOM 857 CA VAL A 191 5.162 -1.783 -2.193 1.00 0.00 C ATOM 858 C VAL A 191 6.665 -2.059 -2.136 1.00 0.00 C ATOM 859 O VAL A 191 7.093 -3.171 -1.827 1.00 0.00 O ATOM 860 CB VAL A 191 4.645 -2.007 -3.633 1.00 0.00 C ATOM 861 CG1 VAL A 191 4.879 -3.441 -4.081 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.167 -1.650 -3.732 1.00 0.00 C ATOM 0 H VAL A 191 4.702 0.237 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 191 4.647 -2.474 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 191 5.206 -1.351 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.506 -3.570 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 191 5.946 -3.661 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.353 -4.122 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 191 2.821 -1.814 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.595 -2.278 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.027 -0.602 -3.465 1.00 0.00 H new ATOM 872 N GLN A 192 7.456 -1.029 -2.411 1.00 0.00 N ATOM 873 CA GLN A 192 8.901 -1.153 -2.478 1.00 0.00 C ATOM 874 C GLN A 192 9.519 -1.442 -1.114 1.00 0.00 C ATOM 875 O GLN A 192 10.367 -2.326 -0.987 1.00 0.00 O ATOM 876 CB GLN A 192 9.501 0.132 -3.041 1.00 0.00 C ATOM 877 CG GLN A 192 11.008 0.093 -3.105 1.00 0.00 C ATOM 878 CD GLN A 192 11.623 1.398 -3.563 1.00 0.00 C ATOM 879 OE1 GLN A 192 12.664 1.400 -4.217 1.00 0.00 O ATOM 880 NE2 GLN A 192 11.003 2.513 -3.208 1.00 0.00 N ATOM 0 H GLN A 192 7.111 -0.087 -2.593 1.00 0.00 H new ATOM 0 HA GLN A 192 9.126 -1.996 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.104 0.306 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.190 0.974 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.400 -0.159 -2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.315 -0.703 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 192 10.141 2.466 -2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.388 3.418 -3.478 1.00 0.00 H new ATOM 889 N ASN A 193 9.094 -0.696 -0.101 1.00 0.00 N ATOM 890 CA ASN A 193 9.704 -0.786 1.222 1.00 0.00 C ATOM 891 C ASN A 193 9.240 -2.034 1.962 1.00 0.00 C ATOM 892 O ASN A 193 9.738 -2.346 3.048 1.00 0.00 O ATOM 893 CB ASN A 193 9.388 0.456 2.057 1.00 0.00 C ATOM 894 CG ASN A 193 9.893 1.739 1.425 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.873 1.741 0.681 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.233 2.843 1.731 1.00 0.00 N ATOM 0 H ASN A 193 8.331 -0.023 -0.169 1.00 0.00 H new ATOM 0 HA ASN A 193 10.782 -0.849 1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.310 0.527 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.833 0.345 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.532 3.739 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.425 2.799 2.352 1.00 0.00 H new ATOM 903 N ALA A 194 8.289 -2.741 1.370 1.00 0.00 N ATOM 904 CA ALA A 194 7.799 -3.986 1.931 1.00 0.00 C ATOM 905 C ALA A 194 8.762 -5.125 1.608 1.00 0.00 C ATOM 906 O ALA A 194 9.499 -5.066 0.622 1.00 0.00 O ATOM 907 CB ALA A 194 6.412 -4.294 1.388 1.00 0.00 C ATOM 0 H ALA A 194 7.840 -2.469 0.495 1.00 0.00 H new ATOM 0 HA ALA A 194 7.735 -3.883 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.054 -5.230 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.729 -3.488 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.458 -4.385 0.303 1.00 0.00 H new ATOM 913 N ASN A 195 8.760 -6.149 2.454 1.00 0.00 N ATOM 914 CA ASN A 195 9.598 -7.329 2.241 1.00 0.00 C ATOM 915 C ASN A 195 9.196 -8.035 0.953 1.00 0.00 C ATOM 916 O ASN A 195 8.013 -8.152 0.648 1.00 0.00 O ATOM 917 CB ASN A 195 9.475 -8.303 3.418 1.00 0.00 C ATOM 918 CG ASN A 195 10.202 -7.819 4.654 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.389 -8.092 4.843 1.00 0.00 O ATOM 920 ND2 ASN A 195 9.489 -7.111 5.511 1.00 0.00 N ATOM 0 H ASN A 195 8.187 -6.188 3.297 1.00 0.00 H new ATOM 0 HA ASN A 195 10.634 -6.999 2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 195 8.421 -8.449 3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 195 9.873 -9.274 3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 195 9.918 -6.767 6.370 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.509 -6.908 5.314 1.00 0.00 H new ATOM 927 N PRO A 196 10.198 -8.515 0.190 1.00 0.00 N ATOM 928 CA PRO A 196 9.999 -9.165 -1.114 1.00 0.00 C ATOM 929 C PRO A 196 8.998 -10.315 -1.058 1.00 0.00 C ATOM 930 O PRO A 196 8.315 -10.601 -2.042 1.00 0.00 O ATOM 931 CB PRO A 196 11.393 -9.688 -1.490 1.00 0.00 C ATOM 932 CG PRO A 196 12.218 -9.569 -0.255 1.00 0.00 C ATOM 933 CD PRO A 196 11.622 -8.451 0.542 1.00 0.00 C ATOM 0 HA PRO A 196 9.585 -8.466 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.344 -10.723 -1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.823 -9.105 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.206 -10.500 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.259 -9.359 -0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.780 -8.589 1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.060 -7.489 0.277 1.00 0.00 H new ATOM 941 N ASP A 197 8.923 -10.972 0.093 1.00 0.00 N ATOM 942 CA ASP A 197 7.933 -12.023 0.316 1.00 0.00 C ATOM 943 C ASP A 197 6.523 -11.464 0.154 1.00 0.00 C ATOM 944 O ASP A 197 5.706 -12.002 -0.593 1.00 0.00 O ATOM 945 CB ASP A 197 8.100 -12.628 1.713 1.00 0.00 C ATOM 946 CG ASP A 197 7.099 -13.733 1.992 1.00 0.00 C ATOM 947 OD1 ASP A 197 7.272 -14.847 1.453 1.00 0.00 O ATOM 948 OD2 ASP A 197 6.141 -13.496 2.755 1.00 0.00 O ATOM 0 H ASP A 197 9.536 -10.796 0.889 1.00 0.00 H new ATOM 0 HA ASP A 197 8.089 -12.807 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 197 9.111 -13.023 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 197 7.987 -11.843 2.461 1.00 0.00 H new ATOM 954 N CYS A 198 6.262 -10.363 0.847 1.00 0.00 N ATOM 955 CA CYS A 198 4.976 -9.684 0.774 1.00 0.00 C ATOM 956 C CYS A 198 4.828 -8.976 -0.570 1.00 0.00 C ATOM 957 O CYS A 198 3.755 -8.975 -1.172 1.00 0.00 O ATOM 958 CB CYS A 198 4.860 -8.676 1.921 1.00 0.00 C ATOM 959 SG CYS A 198 3.333 -7.708 1.915 1.00 0.00 S ATOM 0 H CYS A 198 6.933 -9.918 1.473 1.00 0.00 H new ATOM 0 HA CYS A 198 4.178 -10.421 0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 198 4.932 -9.212 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 198 5.709 -7.993 1.875 1.00 0.00 H new ATOM 0 HG CYS A 198 3.475 -6.669 2.683 1.00 0.00 H new ATOM 965 N LYS A 199 5.930 -8.391 -1.036 1.00 0.00 N ATOM 966 CA LYS A 199 5.963 -7.644 -2.292 1.00 0.00 C ATOM 967 C LYS A 199 5.444 -8.490 -3.455 1.00 0.00 C ATOM 968 O LYS A 199 4.707 -8.000 -4.312 1.00 0.00 O ATOM 969 CB LYS A 199 7.397 -7.177 -2.560 1.00 0.00 C ATOM 970 CG LYS A 199 7.563 -6.299 -3.789 1.00 0.00 C ATOM 971 CD LYS A 199 8.994 -5.793 -3.910 1.00 0.00 C ATOM 972 CE LYS A 199 9.396 -4.971 -2.693 1.00 0.00 C ATOM 973 NZ LYS A 199 10.821 -4.557 -2.735 1.00 0.00 N ATOM 0 H LYS A 199 6.827 -8.422 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 199 5.308 -6.777 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.754 -6.629 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.035 -8.054 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.297 -6.864 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.878 -5.453 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.673 -6.639 -4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 199 9.092 -5.186 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 199 8.765 -4.085 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.216 -5.553 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 10.956 -3.716 -2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.418 -5.332 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.089 -4.333 -3.715 1.00 0.00 H new ATOM 987 N THR A 200 5.823 -9.764 -3.464 1.00 0.00 N ATOM 988 CA THR A 200 5.368 -10.695 -4.487 1.00 0.00 C ATOM 989 C THR A 200 3.844 -10.825 -4.461 1.00 0.00 C ATOM 990 O THR A 200 3.185 -10.810 -5.503 1.00 0.00 O ATOM 991 CB THR A 200 6.003 -12.083 -4.279 1.00 0.00 C ATOM 992 OG1 THR A 200 7.434 -11.968 -4.227 1.00 0.00 O ATOM 993 CG2 THR A 200 5.611 -13.034 -5.399 1.00 0.00 C ATOM 0 H THR A 200 6.447 -10.175 -2.770 1.00 0.00 H new ATOM 0 HA THR A 200 5.676 -10.302 -5.456 1.00 0.00 H new ATOM 0 HB THR A 200 5.635 -12.485 -3.335 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.699 -11.568 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.072 -14.007 -5.228 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.527 -13.145 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 200 5.953 -12.633 -6.353 1.00 0.00 H new ATOM 1001 N ILE A 201 3.291 -10.918 -3.260 1.00 0.00 N ATOM 1002 CA ILE A 201 1.856 -11.092 -3.084 1.00 0.00 C ATOM 1003 C ILE A 201 1.101 -9.840 -3.524 1.00 0.00 C ATOM 1004 O ILE A 201 0.064 -9.928 -4.183 1.00 0.00 O ATOM 1005 CB ILE A 201 1.511 -11.400 -1.612 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.309 -12.610 -1.124 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.018 -11.643 -1.456 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.105 -12.922 0.344 1.00 0.00 C ATOM 0 H ILE A 201 3.818 -10.876 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 201 1.551 -11.935 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 201 1.782 -10.539 -1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.027 -13.482 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.369 -12.432 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 201 -0.208 -11.859 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.530 -10.755 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 201 -0.279 -12.490 -2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 201 2.702 -13.792 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.414 -12.066 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.052 -13.133 0.528 1.00 0.00 H new ATOM 1020 N LEU A 202 1.638 -8.681 -3.162 1.00 0.00 N ATOM 1021 CA LEU A 202 1.022 -7.401 -3.499 1.00 0.00 C ATOM 1022 C LEU A 202 0.881 -7.245 -5.012 1.00 0.00 C ATOM 1023 O LEU A 202 -0.134 -6.753 -5.509 1.00 0.00 O ATOM 1024 CB LEU A 202 1.859 -6.248 -2.933 1.00 0.00 C ATOM 1025 CG LEU A 202 2.160 -6.335 -1.433 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.020 -5.162 -0.994 1.00 0.00 C ATOM 1027 CD2 LEU A 202 0.872 -6.386 -0.625 1.00 0.00 C ATOM 0 H LEU A 202 2.505 -8.600 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 202 0.027 -7.375 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 202 2.804 -6.206 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.337 -5.311 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 202 2.713 -7.256 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.224 -5.240 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 202 3.960 -5.174 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.493 -4.229 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.111 -6.448 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.288 -5.485 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.293 -7.262 -0.918 1.00 0.00 H new ATOM 1039 N LYS A 203 1.900 -7.678 -5.743 1.00 0.00 N ATOM 1040 CA LYS A 203 1.879 -7.581 -7.198 1.00 0.00 C ATOM 1041 C LYS A 203 1.006 -8.671 -7.815 1.00 0.00 C ATOM 1042 O LYS A 203 0.473 -8.505 -8.912 1.00 0.00 O ATOM 1043 CB LYS A 203 3.296 -7.646 -7.769 1.00 0.00 C ATOM 1044 CG LYS A 203 4.183 -6.491 -7.322 1.00 0.00 C ATOM 1045 CD LYS A 203 3.542 -5.138 -7.609 1.00 0.00 C ATOM 1046 CE LYS A 203 3.318 -4.918 -9.096 1.00 0.00 C ATOM 1047 NZ LYS A 203 2.577 -3.659 -9.365 1.00 0.00 N ATOM 0 H LYS A 203 2.746 -8.097 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 203 1.445 -6.615 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.758 -8.586 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.241 -7.652 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.383 -6.579 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.144 -6.553 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 203 2.589 -5.070 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 203 4.179 -4.345 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 203 4.280 -4.889 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 203 2.763 -5.761 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 2.445 -3.546 -10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 1.648 -3.696 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 3.118 -2.852 -8.995 1.00 0.00 H new ATOM 1061 N ALA A 204 0.872 -9.790 -7.113 1.00 0.00 N ATOM 1062 CA ALA A 204 0.007 -10.875 -7.558 1.00 0.00 C ATOM 1063 C ALA A 204 -1.454 -10.446 -7.502 1.00 0.00 C ATOM 1064 O ALA A 204 -2.274 -10.870 -8.318 1.00 0.00 O ATOM 1065 CB ALA A 204 0.234 -12.118 -6.711 1.00 0.00 C ATOM 0 H ALA A 204 1.353 -9.970 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 204 0.255 -11.115 -8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.420 -12.918 -7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.273 -12.434 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 204 0.012 -11.893 -5.668 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.766 -9.599 -6.528 1.00 0.00 N ATOM 1072 CA LEU A 205 -3.099 -9.032 -6.389 1.00 0.00 C ATOM 1073 C LEU A 205 -3.441 -8.143 -7.581 1.00 0.00 C ATOM 1074 O LEU A 205 -4.518 -8.258 -8.167 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.198 -8.235 -5.091 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.278 -9.080 -3.818 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -2.824 -8.277 -2.613 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -4.698 -9.575 -3.608 1.00 0.00 C ATOM 0 H LEU A 205 -1.105 -9.288 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.817 -9.851 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.332 -7.578 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -4.080 -7.596 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 205 -2.615 -9.938 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -2.888 -8.896 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -1.793 -7.955 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -3.464 -7.403 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -4.743 -10.175 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -5.370 -8.722 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -5.001 -10.183 -4.460 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.519 -7.257 -7.930 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.695 -6.438 -9.111 1.00 0.00 C ATOM 1092 C GLY A 206 -2.859 -4.967 -8.787 1.00 0.00 C ATOM 1093 O GLY A 206 -3.148 -4.611 -7.645 1.00 0.00 O ATOM 0 H GLY A 206 -1.653 -7.091 -7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.835 -6.567 -9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.571 -6.784 -9.660 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.683 -4.085 -9.784 1.00 0.00 N ATOM 1098 CA PRO A 207 -2.829 -2.639 -9.596 1.00 0.00 C ATOM 1099 C PRO A 207 -4.292 -2.213 -9.504 1.00 0.00 C ATOM 1100 O PRO A 207 -4.602 -1.086 -9.114 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.177 -2.051 -10.847 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.337 -3.102 -11.891 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.316 -4.427 -11.173 1.00 0.00 C ATOM 0 HA PRO A 207 -2.375 -2.300 -8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -2.661 -1.121 -11.145 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.125 -1.822 -10.674 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.273 -2.970 -12.434 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.533 -3.046 -12.624 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.024 -5.130 -11.612 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.332 -4.893 -11.223 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.192 -3.121 -9.863 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.622 -2.840 -9.814 1.00 0.00 C ATOM 1113 C ALA A 208 -7.168 -3.061 -8.408 1.00 0.00 C ATOM 1114 O ALA A 208 -8.328 -2.763 -8.124 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.366 -3.709 -10.815 1.00 0.00 C ATOM 0 H ALA A 208 -4.957 -4.058 -10.191 1.00 0.00 H new ATOM 0 HA ALA A 208 -6.775 -1.794 -10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.432 -3.488 -10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.998 -3.503 -11.820 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -7.202 -4.760 -10.577 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.317 -3.579 -7.534 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.698 -3.872 -6.164 1.00 0.00 C ATOM 1123 C ALA A 209 -6.529 -2.641 -5.280 1.00 0.00 C ATOM 1124 O ALA A 209 -6.023 -1.609 -5.726 1.00 0.00 O ATOM 1125 CB ALA A 209 -5.864 -5.026 -5.639 1.00 0.00 C ATOM 0 H ALA A 209 -5.348 -3.806 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 209 -7.750 -4.155 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.152 -5.244 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.032 -5.907 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -4.808 -4.756 -5.671 1.00 0.00 H new ATOM 1131 N THR A 210 -6.958 -2.753 -4.031 1.00 0.00 N ATOM 1132 CA THR A 210 -6.878 -1.646 -3.092 1.00 0.00 C ATOM 1133 C THR A 210 -6.055 -2.048 -1.868 1.00 0.00 C ATOM 1134 O THR A 210 -5.712 -3.222 -1.718 1.00 0.00 O ATOM 1135 CB THR A 210 -8.287 -1.171 -2.661 1.00 0.00 C ATOM 1136 OG1 THR A 210 -8.195 0.021 -1.870 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.013 -2.246 -1.867 1.00 0.00 C ATOM 0 H THR A 210 -7.367 -3.604 -3.644 1.00 0.00 H new ATOM 0 HA THR A 210 -6.383 -0.814 -3.594 1.00 0.00 H new ATOM 0 HB THR A 210 -8.854 -0.963 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 210 -7.761 0.727 -2.392 1.00 0.00 H new ATOM 0 HG21 THR A 210 -9.999 -1.882 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.121 -3.141 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 210 -8.440 -2.487 -0.972 1.00 0.00 H new ATOM 1145 N LEU A 211 -5.733 -1.092 -1.001 1.00 0.00 N ATOM 1146 CA LEU A 211 -4.865 -1.367 0.140 1.00 0.00 C ATOM 1147 C LEU A 211 -5.432 -2.476 1.017 1.00 0.00 C ATOM 1148 O LEU A 211 -4.693 -3.335 1.485 1.00 0.00 O ATOM 1149 CB LEU A 211 -4.652 -0.128 0.998 1.00 0.00 C ATOM 1150 CG LEU A 211 -3.590 -0.303 2.080 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.249 0.219 1.599 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.014 0.379 3.365 1.00 0.00 C ATOM 0 H LEU A 211 -6.057 -0.127 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 211 -3.908 -1.685 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.367 0.704 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -5.597 0.143 1.470 1.00 0.00 H new ATOM 0 HG LEU A 211 -3.482 -1.367 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -1.504 0.086 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -1.942 -0.332 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.336 1.278 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -3.242 0.241 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.157 1.444 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -4.949 -0.057 3.717 1.00 0.00 H new ATOM 1164 N GLU A 212 -6.744 -2.454 1.222 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.423 -3.445 2.045 1.00 0.00 C ATOM 1166 C GLU A 212 -7.076 -4.868 1.597 1.00 0.00 C ATOM 1167 O GLU A 212 -6.871 -5.760 2.422 1.00 0.00 O ATOM 1168 CB GLU A 212 -8.932 -3.213 1.959 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.763 -4.253 2.682 1.00 0.00 C ATOM 1170 CD GLU A 212 -9.661 -4.153 4.189 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -10.640 -3.707 4.822 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -8.617 -4.540 4.748 1.00 0.00 O ATOM 0 H GLU A 212 -7.365 -1.750 0.823 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.091 -3.336 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.161 -2.230 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.226 -3.195 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -10.807 -4.145 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.444 -5.247 2.368 1.00 0.00 H new ATOM 1180 N GLU A 213 -6.982 -5.064 0.290 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.640 -6.364 -0.265 1.00 0.00 C ATOM 1182 C GLU A 213 -5.184 -6.713 0.040 1.00 0.00 C ATOM 1183 O GLU A 213 -4.853 -7.867 0.304 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.894 -6.366 -1.768 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.365 -6.217 -2.119 1.00 0.00 C ATOM 1186 CD GLU A 213 -8.592 -5.952 -3.588 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -8.737 -4.774 -3.959 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -8.629 -6.915 -4.378 1.00 0.00 O ATOM 0 H GLU A 213 -7.138 -4.336 -0.407 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.270 -7.123 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.332 -5.553 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.516 -7.295 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.896 -7.125 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.792 -5.400 -1.537 1.00 0.00 H new ATOM 1196 N MET A 214 -4.330 -5.697 0.029 1.00 0.00 N ATOM 1197 CA MET A 214 -2.914 -5.865 0.351 1.00 0.00 C ATOM 1198 C MET A 214 -2.759 -6.251 1.818 1.00 0.00 C ATOM 1199 O MET A 214 -2.025 -7.179 2.163 1.00 0.00 O ATOM 1200 CB MET A 214 -2.152 -4.561 0.081 1.00 0.00 C ATOM 1201 CG MET A 214 -2.381 -3.998 -1.310 1.00 0.00 C ATOM 1202 SD MET A 214 -1.654 -5.012 -2.604 1.00 0.00 S ATOM 1203 CE MET A 214 -2.974 -4.995 -3.811 1.00 0.00 C ATOM 0 H MET A 214 -4.594 -4.739 -0.201 1.00 0.00 H new ATOM 0 HA MET A 214 -2.503 -6.655 -0.277 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.451 -3.816 0.819 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.086 -4.738 0.221 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.453 -3.905 -1.487 1.00 0.00 H new ATOM 0 HG3 MET A 214 -1.961 -2.994 -1.364 1.00 0.00 H new ATOM 0 HE1 MET A 214 -2.618 -5.428 -4.746 1.00 0.00 H new ATOM 0 HE2 MET A 214 -3.816 -5.579 -3.438 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.294 -3.968 -3.986 1.00 0.00 H new ATOM 1213 N MET A 215 -3.484 -5.530 2.669 1.00 0.00 N ATOM 1214 CA MET A 215 -3.469 -5.761 4.107 1.00 0.00 C ATOM 1215 C MET A 215 -3.947 -7.175 4.409 1.00 0.00 C ATOM 1216 O MET A 215 -3.325 -7.902 5.176 1.00 0.00 O ATOM 1217 CB MET A 215 -4.385 -4.755 4.817 1.00 0.00 C ATOM 1218 CG MET A 215 -4.140 -3.308 4.421 1.00 0.00 C ATOM 1219 SD MET A 215 -2.580 -2.659 5.041 1.00 0.00 S ATOM 1220 CE MET A 215 -2.962 -2.520 6.780 1.00 0.00 C ATOM 0 H MET A 215 -4.098 -4.769 2.379 1.00 0.00 H new ATOM 0 HA MET A 215 -2.449 -5.634 4.469 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.423 -5.009 4.601 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.250 -4.854 5.894 1.00 0.00 H new ATOM 0 HG2 MET A 215 -4.153 -3.228 3.334 1.00 0.00 H new ATOM 0 HG3 MET A 215 -4.957 -2.692 4.796 1.00 0.00 H new ATOM 0 HE1 MET A 215 -2.107 -2.096 7.308 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.828 -1.871 6.912 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.184 -3.508 7.184 1.00 0.00 H new ATOM 1230 N THR A 216 -5.051 -7.551 3.775 1.00 0.00 N ATOM 1231 CA THR A 216 -5.657 -8.861 3.970 1.00 0.00 C ATOM 1232 C THR A 216 -4.746 -9.986 3.472 1.00 0.00 C ATOM 1233 O THR A 216 -4.660 -11.053 4.088 1.00 0.00 O ATOM 1234 CB THR A 216 -7.011 -8.937 3.236 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.896 -7.929 3.742 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.657 -10.304 3.390 1.00 0.00 C ATOM 0 H THR A 216 -5.550 -6.957 3.113 1.00 0.00 H new ATOM 0 HA THR A 216 -5.809 -8.993 5.041 1.00 0.00 H new ATOM 0 HB THR A 216 -6.824 -8.769 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.637 -7.055 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.609 -10.318 2.859 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.998 -11.067 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.828 -10.509 4.447 1.00 0.00 H new ATOM 1244 N ALA A 217 -4.058 -9.735 2.366 1.00 0.00 N ATOM 1245 CA ALA A 217 -3.204 -10.736 1.744 1.00 0.00 C ATOM 1246 C ALA A 217 -2.075 -11.172 2.674 1.00 0.00 C ATOM 1247 O ALA A 217 -1.830 -12.364 2.850 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.640 -10.203 0.436 1.00 0.00 C ATOM 0 H ALA A 217 -4.076 -8.839 1.879 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.815 -11.615 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -2.003 -10.960 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.459 -9.961 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.054 -9.305 0.632 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.408 -10.208 3.285 1.00 0.00 N ATOM 1255 CA CYS A 218 -0.248 -10.506 4.111 1.00 0.00 C ATOM 1256 C CYS A 218 -0.577 -10.369 5.600 1.00 0.00 C ATOM 1257 O CYS A 218 0.315 -10.201 6.432 1.00 0.00 O ATOM 1258 CB CYS A 218 0.924 -9.592 3.728 1.00 0.00 C ATOM 1259 SG CYS A 218 2.526 -10.106 4.404 1.00 0.00 S ATOM 0 H CYS A 218 -1.647 -9.218 3.226 1.00 0.00 H new ATOM 0 HA CYS A 218 0.041 -11.541 3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.998 -9.552 2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 218 0.707 -8.580 4.070 1.00 0.00 H new ATOM 0 HG CYS A 218 2.384 -10.436 5.653 1.00 0.00 H new ATOM 1472 N THR B 2 -2.540 4.131 -3.369 1.00 0.00 N ATOM 1473 CA THR B 2 -2.026 5.462 -3.135 1.00 0.00 C ATOM 1474 C THR B 2 -2.335 5.866 -1.694 1.00 0.00 C ATOM 1475 O THR B 2 -2.965 5.091 -0.973 1.00 0.00 O ATOM 1476 CB THR B 2 -2.626 6.464 -4.159 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.380 7.494 -3.508 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.530 5.758 -5.159 1.00 0.00 C ATOM 0 HA THR B 2 -0.945 5.475 -3.275 1.00 0.00 H new ATOM 0 HB THR B 2 -1.782 6.913 -4.684 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.992 7.908 -4.152 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.934 6.487 -5.862 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.955 5.009 -5.703 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.349 5.272 -4.629 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.882 7.041 -1.262 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.189 7.538 0.079 1.00 0.00 C ATOM 1488 C PHE B 3 -3.703 7.524 0.298 1.00 0.00 C ATOM 1489 O PHE B 3 -4.179 7.274 1.408 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.618 8.949 0.253 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.675 9.477 1.655 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.414 8.650 2.730 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.972 10.807 1.894 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.453 9.132 4.020 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -2.009 11.298 3.185 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.746 10.456 4.248 1.00 0.00 C ATOM 0 H PHE B 3 -1.301 7.667 -1.820 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.729 6.891 0.826 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.580 8.950 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -2.163 9.630 -0.400 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.176 7.611 2.557 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -2.177 11.467 1.064 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.254 8.471 4.851 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.243 12.337 3.363 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.770 10.838 5.258 1.00 0.00 H new ATOM 1526 N ASP B 5 -5.743 5.260 -0.644 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.144 3.898 -0.274 1.00 0.00 C ATOM 1528 C ASP B 5 -6.142 3.683 1.232 1.00 0.00 C ATOM 1529 O ASP B 5 -7.150 3.272 1.804 1.00 0.00 O ATOM 1530 CB ASP B 5 -5.223 2.858 -0.926 1.00 0.00 C ATOM 1531 CG ASP B 5 -5.558 2.579 -2.378 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -5.060 3.307 -3.261 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -6.287 1.603 -2.645 1.00 0.00 O ATOM 0 HA ASP B 5 -7.163 3.771 -0.639 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -4.192 3.205 -0.860 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -5.283 1.927 -0.362 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.010 3.955 1.874 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.892 3.723 3.309 1.00 0.00 C ATOM 1541 C LEU B 6 -5.734 4.714 4.118 1.00 0.00 C ATOM 1542 O LEU B 6 -6.241 4.367 5.182 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.425 3.623 3.807 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.440 4.760 3.513 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -2.159 4.907 2.033 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.925 6.054 4.117 1.00 0.00 C ATOM 0 H LEU B 6 -4.172 4.331 1.431 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.311 2.733 3.489 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.457 3.493 4.889 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.001 2.710 3.389 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.491 4.500 3.983 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -1.456 5.725 1.876 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -1.730 3.981 1.650 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -3.089 5.121 1.506 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -2.212 6.848 3.897 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.896 6.311 3.694 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -3.018 5.939 5.197 1.00 0.00 H new ATOM 1558 N LEU B 7 -5.894 5.937 3.617 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.749 6.923 4.277 1.00 0.00 C ATOM 1560 C LEU B 7 -8.181 6.407 4.367 1.00 0.00 C ATOM 1561 O LEU B 7 -8.767 6.356 5.451 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.735 8.251 3.519 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.432 9.062 3.618 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.564 10.377 2.869 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.062 9.329 5.070 1.00 0.00 C ATOM 0 H LEU B 7 -5.447 6.268 2.762 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.358 7.086 5.281 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.937 8.050 2.467 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.554 8.868 3.889 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.637 8.471 3.162 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.632 10.937 2.950 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.777 10.178 1.819 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.377 10.961 3.300 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.137 9.904 5.110 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -5.861 9.893 5.551 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.923 8.381 5.590 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.032 3.491 4.021 1.00 0.00 N ATOM 1598 CA TYR B 9 -8.930 2.238 4.751 1.00 0.00 C ATOM 1599 C TYR B 9 -9.072 2.452 6.257 1.00 0.00 C ATOM 1600 O TYR B 9 -9.941 1.855 6.894 1.00 0.00 O ATOM 1601 CB TYR B 9 -7.595 1.564 4.428 1.00 0.00 C ATOM 1602 CG TYR B 9 -7.224 0.441 5.364 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -7.949 -0.743 5.386 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -6.155 0.574 6.239 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -7.617 -1.765 6.252 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -5.818 -0.444 7.112 1.00 0.00 C ATOM 1607 CZ TYR B 9 -6.553 -1.612 7.113 1.00 0.00 C ATOM 1608 OH TYR B 9 -6.226 -2.628 7.986 1.00 0.00 O ATOM 0 HA TYR B 9 -9.748 1.590 4.437 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -7.635 1.175 3.410 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -6.807 2.316 4.451 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -8.786 -0.866 4.715 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -5.577 1.487 6.238 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -8.189 -2.681 6.255 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -4.985 -0.326 7.789 1.00 0.00 H new ATOM 0 HH TYR B 9 -5.451 -2.361 8.523 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.228 3.312 6.818 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.232 3.546 8.259 1.00 0.00 C ATOM 1620 C TYR B 10 -9.481 4.296 8.692 1.00 0.00 C ATOM 1621 O TYR B 10 -10.006 4.070 9.785 1.00 0.00 O ATOM 1622 CB TYR B 10 -6.970 4.292 8.702 1.00 0.00 C ATOM 1623 CG TYR B 10 -5.740 3.413 8.732 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -5.481 2.593 9.823 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -4.845 3.393 7.671 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -4.368 1.775 9.855 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -3.727 2.582 7.694 1.00 0.00 C ATOM 1628 CZ TYR B 10 -3.493 1.774 8.790 1.00 0.00 C ATOM 1629 OH TYR B 10 -2.389 0.955 8.814 1.00 0.00 O ATOM 0 H TYR B 10 -7.537 3.856 6.301 1.00 0.00 H new ATOM 0 HA TYR B 10 -8.238 2.572 8.749 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -6.794 5.129 8.027 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.133 4.712 9.694 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -6.162 2.595 10.661 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.026 4.023 6.812 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -4.185 1.140 10.709 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.040 2.580 6.861 1.00 0.00 H new ATOM 0 HH TYR B 10 -2.341 0.446 7.978 1.00 0.00 H new