USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 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 -146:sc= -0.618 (180deg=-1.66) USER MOD Set 1.2: B 10 TYR OH : rot 120:sc= 0 USER MOD Set 2.1: A 155 GLN : amide:sc= 1.62 K(o=2.5,f=-5.6!) USER MOD Set 2.2: A 195 ASN : amide:sc= 0.611 K(o=2.5,f=-1.2!) USER MOD Set 2.3: A 198 CYS SG : rot 130:sc= 0.301 USER MOD Set 3.1: A 192 GLN : amide:sc= 0.0373 X(o=0.077,f=0) USER MOD Set 3.2: A 193 ASN : amide:sc= 0.0398 K(o=0.077,f=-0.56) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 176:sc= -1.46! USER MOD Single : A 169 TYR OH : rot 150:sc= -0.0125 USER MOD Single : A 170 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.073) USER MOD Single : A 171 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 182 LYS NZ :NH3+ 175:sc= 2.34 (180deg=2.3) USER MOD Single : A 183 ASN : amide:sc= -6.29! C(o=-6.3!,f=-4.3!) USER MOD Single : A 186 THR OG1 : rot 69:sc= -0.0336 USER MOD Single : A 188 THR OG1 : rot 93:sc= 0.459 USER MOD Single : A 199 LYS NZ :NH3+ 159:sc= 0.708 (180deg=0.426) USER MOD Single : A 200 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 203 LYS NZ :NH3+ -170:sc= -0.0147 (180deg=-0.13) USER MOD Single : A 210 THR OG1 : rot -80:sc= 1.16 USER MOD Single : A 214 MET CE :methyl -147:sc= -1.4 (180deg=-3.4!) USER MOD Single : A 216 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 218 CYS SG : rot -26:sc= 0.659 USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 TYR OH : rot 5:sc= 1.86 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.589 9.178 5.256 1.00 0.00 N ATOM 171 CA ILE A 150 8.761 8.107 4.712 1.00 0.00 C ATOM 172 C ILE A 150 9.574 6.824 4.474 1.00 0.00 C ATOM 173 O ILE A 150 9.068 5.719 4.661 1.00 0.00 O ATOM 174 CB ILE A 150 8.016 8.562 3.430 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.498 8.437 3.618 1.00 0.00 C ATOM 176 CG2 ILE A 150 8.478 7.787 2.211 1.00 0.00 C ATOM 177 CD1 ILE A 150 6.031 7.045 3.992 1.00 0.00 C ATOM 0 HA ILE A 150 8.004 7.870 5.460 1.00 0.00 H new ATOM 0 HB ILE A 150 8.258 9.611 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 150 6.180 9.135 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 150 6.003 8.738 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 150 7.934 8.133 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 150 9.546 7.945 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.286 6.725 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 150 4.947 7.043 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.315 6.343 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 150 6.495 6.746 4.932 1.00 0.00 H new ATOM 189 N LEU A 151 10.839 6.979 4.099 1.00 0.00 N ATOM 190 CA LEU A 151 11.729 5.840 3.883 1.00 0.00 C ATOM 191 C LEU A 151 12.188 5.259 5.216 1.00 0.00 C ATOM 192 O LEU A 151 12.879 4.238 5.264 1.00 0.00 O ATOM 193 CB LEU A 151 12.942 6.263 3.057 1.00 0.00 C ATOM 194 CG LEU A 151 12.624 6.797 1.657 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.898 7.244 0.956 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.906 5.738 0.833 1.00 0.00 C ATOM 0 H LEU A 151 11.275 7.887 3.937 1.00 0.00 H new ATOM 0 HA LEU A 151 11.178 5.074 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.486 7.031 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.611 5.408 2.959 1.00 0.00 H new ATOM 0 HG LEU A 151 11.965 7.660 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 151 13.654 7.621 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 151 14.375 8.034 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 151 14.580 6.398 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 151 11.688 6.135 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.541 4.857 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.974 5.463 1.327 1.00 0.00 H new ATOM 208 N ASP A 152 11.803 5.930 6.295 1.00 0.00 N ATOM 209 CA ASP A 152 12.071 5.448 7.644 1.00 0.00 C ATOM 210 C ASP A 152 11.169 4.263 7.920 1.00 0.00 C ATOM 211 O ASP A 152 11.448 3.418 8.773 1.00 0.00 O ATOM 212 CB ASP A 152 11.778 6.541 8.678 1.00 0.00 C ATOM 213 CG ASP A 152 12.059 7.936 8.161 1.00 0.00 C ATOM 214 OD1 ASP A 152 11.112 8.589 7.670 1.00 0.00 O ATOM 215 OD2 ASP A 152 13.221 8.379 8.238 1.00 0.00 O ATOM 0 H ASP A 152 11.300 6.817 6.260 1.00 0.00 H new ATOM 0 HA ASP A 152 13.121 5.165 7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 152 10.733 6.476 8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 152 12.380 6.362 9.569 1.00 0.00 H new ATOM 221 N ILE A 153 10.083 4.207 7.167 1.00 0.00 N ATOM 222 CA ILE A 153 9.068 3.197 7.364 1.00 0.00 C ATOM 223 C ILE A 153 9.262 2.053 6.381 1.00 0.00 C ATOM 224 O ILE A 153 8.656 2.022 5.311 1.00 0.00 O ATOM 225 CB ILE A 153 7.647 3.781 7.206 1.00 0.00 C ATOM 226 CG1 ILE A 153 7.463 5.001 8.118 1.00 0.00 C ATOM 227 CG2 ILE A 153 6.599 2.719 7.510 1.00 0.00 C ATOM 228 CD1 ILE A 153 7.675 4.706 9.587 1.00 0.00 C ATOM 0 H ILE A 153 9.885 4.858 6.407 1.00 0.00 H new ATOM 0 HA ILE A 153 9.172 2.823 8.383 1.00 0.00 H new ATOM 0 HB ILE A 153 7.518 4.104 6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 153 8.159 5.781 7.810 1.00 0.00 H new ATOM 0 HG13 ILE A 153 6.458 5.398 7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 153 5.603 3.147 7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 153 6.717 1.883 6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 153 6.725 2.366 8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 153 7.527 5.618 10.166 1.00 0.00 H new ATOM 0 HD12 ILE A 153 6.961 3.949 9.913 1.00 0.00 H new ATOM 0 HD13 ILE A 153 8.689 4.338 9.742 1.00 0.00 H new ATOM 240 N ARG A 154 10.132 1.127 6.739 1.00 0.00 N ATOM 241 CA ARG A 154 10.346 -0.054 5.929 1.00 0.00 C ATOM 242 C ARG A 154 9.757 -1.268 6.640 1.00 0.00 C ATOM 243 O ARG A 154 9.689 -1.304 7.873 1.00 0.00 O ATOM 244 CB ARG A 154 11.840 -0.257 5.655 1.00 0.00 C ATOM 245 CG ARG A 154 12.115 -1.375 4.666 1.00 0.00 C ATOM 246 CD ARG A 154 13.589 -1.500 4.333 1.00 0.00 C ATOM 247 NE ARG A 154 13.824 -2.563 3.359 1.00 0.00 N ATOM 248 CZ ARG A 154 14.980 -3.203 3.214 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.040 -2.847 3.925 1.00 0.00 N ATOM 250 NH2 ARG A 154 15.081 -4.179 2.325 1.00 0.00 N ATOM 0 H ARG A 154 10.701 1.171 7.585 1.00 0.00 H new ATOM 0 HA ARG A 154 9.846 0.074 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.263 0.672 5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.349 -0.476 6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 154 11.757 -2.318 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 154 11.552 -1.194 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 154 13.956 -0.553 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.153 -1.706 5.242 1.00 0.00 H new ATOM 0 HE ARG A 154 13.051 -2.832 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 154 15.973 -2.076 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 154 16.923 -3.344 3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 154 14.274 -4.436 1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 154 15.965 -4.674 2.209 1.00 0.00 H new ATOM 264 N GLN A 155 9.304 -2.241 5.868 1.00 0.00 N ATOM 265 CA GLN A 155 8.704 -3.441 6.422 1.00 0.00 C ATOM 266 C GLN A 155 9.790 -4.393 6.906 1.00 0.00 C ATOM 267 O GLN A 155 10.580 -4.896 6.109 1.00 0.00 O ATOM 268 CB GLN A 155 7.838 -4.123 5.363 1.00 0.00 C ATOM 269 CG GLN A 155 7.137 -5.382 5.848 1.00 0.00 C ATOM 270 CD GLN A 155 6.405 -6.099 4.731 1.00 0.00 C ATOM 271 OE1 GLN A 155 6.978 -6.945 4.042 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.138 -5.768 4.544 1.00 0.00 N ATOM 0 H GLN A 155 9.341 -2.222 4.849 1.00 0.00 H new ATOM 0 HA GLN A 155 8.077 -3.167 7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 155 7.087 -3.415 5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.463 -4.376 4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.870 -6.056 6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.429 -5.121 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 155 4.702 -5.062 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.597 -6.219 3.806 1.00 0.00 H new ATOM 281 N GLY A 156 9.835 -4.614 8.216 1.00 0.00 N ATOM 282 CA GLY A 156 10.780 -5.558 8.784 1.00 0.00 C ATOM 283 C GLY A 156 10.510 -6.970 8.304 1.00 0.00 C ATOM 284 O GLY A 156 9.416 -7.244 7.813 1.00 0.00 O ATOM 0 H GLY A 156 9.231 -4.154 8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.795 -5.268 8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.720 -5.525 9.872 1.00 0.00 H new ATOM 288 N PRO A 157 11.466 -7.898 8.471 1.00 0.00 N ATOM 289 CA PRO A 157 11.382 -9.247 7.894 1.00 0.00 C ATOM 290 C PRO A 157 10.130 -9.994 8.334 1.00 0.00 C ATOM 291 O PRO A 157 9.558 -10.771 7.572 1.00 0.00 O ATOM 292 CB PRO A 157 12.644 -9.948 8.412 1.00 0.00 C ATOM 293 CG PRO A 157 13.104 -9.126 9.565 1.00 0.00 C ATOM 294 CD PRO A 157 12.686 -7.717 9.262 1.00 0.00 C ATOM 0 HA PRO A 157 11.320 -9.215 6.806 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.428 -10.971 8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 157 13.409 -10.003 7.638 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.656 -9.474 10.496 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.185 -9.195 9.686 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.496 -7.148 10.172 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.453 -7.180 8.704 1.00 0.00 H new ATOM 302 N LYS A 158 9.707 -9.746 9.564 1.00 0.00 N ATOM 303 CA LYS A 158 8.499 -10.354 10.093 1.00 0.00 C ATOM 304 C LYS A 158 7.557 -9.276 10.616 1.00 0.00 C ATOM 305 O LYS A 158 6.843 -9.469 11.604 1.00 0.00 O ATOM 306 CB LYS A 158 8.854 -11.365 11.189 1.00 0.00 C ATOM 307 CG LYS A 158 9.645 -12.552 10.661 1.00 0.00 C ATOM 308 CD LYS A 158 10.084 -13.498 11.766 1.00 0.00 C ATOM 309 CE LYS A 158 10.804 -14.708 11.190 1.00 0.00 C ATOM 310 NZ LYS A 158 11.327 -15.613 12.247 1.00 0.00 N ATOM 0 H LYS A 158 10.186 -9.125 10.216 1.00 0.00 H new ATOM 0 HA LYS A 158 7.986 -10.891 9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.433 -10.864 11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 158 7.937 -11.724 11.657 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.036 -13.098 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 158 10.524 -12.190 10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.742 -12.974 12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 158 9.215 -13.825 12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 158 10.120 -15.262 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 158 11.629 -14.372 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 11.809 -16.422 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 12.000 -15.094 12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 10.538 -15.957 12.831 1.00 0.00 H new ATOM 324 N GLU A 159 7.586 -8.124 9.951 1.00 0.00 N ATOM 325 CA GLU A 159 6.694 -7.019 10.273 1.00 0.00 C ATOM 326 C GLU A 159 5.356 -7.195 9.559 1.00 0.00 C ATOM 327 O GLU A 159 5.320 -7.374 8.341 1.00 0.00 O ATOM 328 CB GLU A 159 7.331 -5.697 9.842 1.00 0.00 C ATOM 329 CG GLU A 159 6.662 -4.469 10.432 1.00 0.00 C ATOM 330 CD GLU A 159 7.006 -4.274 11.894 1.00 0.00 C ATOM 331 OE1 GLU A 159 6.294 -4.820 12.757 1.00 0.00 O ATOM 332 OE2 GLU A 159 8.002 -3.579 12.184 1.00 0.00 O ATOM 0 H GLU A 159 8.225 -7.933 9.179 1.00 0.00 H new ATOM 0 HA GLU A 159 6.525 -7.008 11.350 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.382 -5.700 10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.300 -5.628 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 159 6.966 -3.587 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 159 5.581 -4.560 10.324 1.00 0.00 H new ATOM 340 N PRO A 160 4.241 -7.151 10.306 1.00 0.00 N ATOM 341 CA PRO A 160 2.904 -7.254 9.725 1.00 0.00 C ATOM 342 C PRO A 160 2.600 -6.064 8.829 1.00 0.00 C ATOM 343 O PRO A 160 2.886 -4.922 9.186 1.00 0.00 O ATOM 344 CB PRO A 160 1.961 -7.240 10.934 1.00 0.00 C ATOM 345 CG PRO A 160 2.823 -7.477 12.126 1.00 0.00 C ATOM 346 CD PRO A 160 4.196 -6.988 11.764 1.00 0.00 C ATOM 0 HA PRO A 160 2.801 -8.146 9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.440 -6.286 11.012 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.198 -8.013 10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.438 -6.944 12.995 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.844 -8.536 12.385 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.343 -5.948 12.057 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.973 -7.571 12.258 1.00 0.00 H new ATOM 354 N PHE A 161 2.013 -6.337 7.666 1.00 0.00 N ATOM 355 CA PHE A 161 1.645 -5.287 6.719 1.00 0.00 C ATOM 356 C PHE A 161 0.660 -4.310 7.360 1.00 0.00 C ATOM 357 O PHE A 161 0.586 -3.146 6.972 1.00 0.00 O ATOM 358 CB PHE A 161 1.047 -5.904 5.448 1.00 0.00 C ATOM 359 CG PHE A 161 0.796 -4.917 4.339 1.00 0.00 C ATOM 360 CD1 PHE A 161 1.845 -4.430 3.576 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.490 -4.482 4.060 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.616 -3.527 2.554 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.724 -3.580 3.040 1.00 0.00 C ATOM 364 CZ PHE A 161 0.329 -3.101 2.287 1.00 0.00 C ATOM 0 H PHE A 161 1.781 -7.281 7.356 1.00 0.00 H new ATOM 0 HA PHE A 161 2.543 -4.734 6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 161 1.721 -6.679 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.107 -6.393 5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 161 2.853 -4.759 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -1.318 -4.852 4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.442 -3.155 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.731 -3.250 2.832 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.147 -2.395 1.491 1.00 0.00 H new ATOM 374 N ARG A 162 -0.080 -4.794 8.355 1.00 0.00 N ATOM 375 CA ARG A 162 -0.998 -3.952 9.111 1.00 0.00 C ATOM 376 C ARG A 162 -0.216 -2.890 9.887 1.00 0.00 C ATOM 377 O ARG A 162 -0.497 -1.698 9.776 1.00 0.00 O ATOM 378 CB ARG A 162 -1.839 -4.801 10.077 1.00 0.00 C ATOM 379 CG ARG A 162 -2.877 -4.002 10.849 1.00 0.00 C ATOM 380 CD ARG A 162 -3.975 -3.485 9.932 1.00 0.00 C ATOM 381 NE ARG A 162 -4.843 -2.524 10.607 1.00 0.00 N ATOM 382 CZ ARG A 162 -5.982 -2.051 10.093 1.00 0.00 C ATOM 383 NH1 ARG A 162 -6.450 -2.527 8.945 1.00 0.00 N ATOM 384 NH2 ARG A 162 -6.663 -1.119 10.742 1.00 0.00 N ATOM 0 H ARG A 162 -0.060 -5.768 8.656 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.671 -3.457 8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.343 -5.585 9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -1.174 -5.296 10.785 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.315 -4.628 11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.394 -3.163 11.349 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.526 -3.016 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.572 -4.323 9.573 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.562 -2.193 11.530 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.939 -3.258 8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.320 -2.161 8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.318 -0.763 11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -7.533 -0.757 10.351 1.00 0.00 H new ATOM 398 N ASP A 163 0.785 -3.328 10.650 1.00 0.00 N ATOM 399 CA ASP A 163 1.613 -2.408 11.428 1.00 0.00 C ATOM 400 C ASP A 163 2.504 -1.573 10.519 1.00 0.00 C ATOM 401 O ASP A 163 2.812 -0.418 10.824 1.00 0.00 O ATOM 402 CB ASP A 163 2.478 -3.161 12.442 1.00 0.00 C ATOM 403 CG ASP A 163 1.714 -3.547 13.692 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.448 -4.750 13.887 1.00 0.00 O ATOM 405 OD2 ASP A 163 1.380 -2.642 14.491 1.00 0.00 O ATOM 0 H ASP A 163 1.041 -4.311 10.746 1.00 0.00 H new ATOM 0 HA ASP A 163 0.937 -1.745 11.968 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.879 -4.060 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.329 -2.539 12.719 1.00 0.00 H new ATOM 411 N TYR A 164 2.908 -2.165 9.406 1.00 0.00 N ATOM 412 CA TYR A 164 3.732 -1.483 8.422 1.00 0.00 C ATOM 413 C TYR A 164 2.991 -0.275 7.857 1.00 0.00 C ATOM 414 O TYR A 164 3.517 0.839 7.850 1.00 0.00 O ATOM 415 CB TYR A 164 4.112 -2.465 7.308 1.00 0.00 C ATOM 416 CG TYR A 164 4.765 -1.836 6.097 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.832 -0.955 6.223 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.317 -2.146 4.821 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.428 -0.397 5.109 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.906 -1.592 3.703 1.00 0.00 C ATOM 421 CZ TYR A 164 5.961 -0.717 3.851 1.00 0.00 C ATOM 422 OH TYR A 164 6.556 -0.173 2.739 1.00 0.00 O ATOM 0 H TYR A 164 2.675 -3.127 9.161 1.00 0.00 H new ATOM 0 HA TYR A 164 4.644 -1.123 8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 164 4.789 -3.214 7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.213 -2.991 6.986 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.201 -0.703 7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.493 -2.833 4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.256 0.287 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.543 -1.842 2.717 1.00 0.00 H new ATOM 0 HH TYR A 164 6.149 -0.551 1.932 1.00 0.00 H new ATOM 432 N VAL A 165 1.764 -0.506 7.406 1.00 0.00 N ATOM 433 CA VAL A 165 0.932 0.554 6.853 1.00 0.00 C ATOM 434 C VAL A 165 0.528 1.563 7.921 1.00 0.00 C ATOM 435 O VAL A 165 0.438 2.759 7.644 1.00 0.00 O ATOM 436 CB VAL A 165 -0.321 -0.031 6.161 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.418 1.009 5.999 1.00 0.00 C ATOM 438 CG2 VAL A 165 0.062 -0.592 4.807 1.00 0.00 C ATOM 0 H VAL A 165 1.321 -1.425 7.413 1.00 0.00 H new ATOM 0 HA VAL A 165 1.527 1.078 6.105 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.713 -0.826 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.279 0.556 5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.713 1.382 6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.049 1.836 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.822 -1.004 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.479 0.203 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.805 -1.379 4.936 1.00 0.00 H new ATOM 448 N ASP A 166 0.305 1.080 9.142 1.00 0.00 N ATOM 449 CA ASP A 166 -0.097 1.946 10.248 1.00 0.00 C ATOM 450 C ASP A 166 0.883 3.100 10.424 1.00 0.00 C ATOM 451 O ASP A 166 0.481 4.260 10.456 1.00 0.00 O ATOM 452 CB ASP A 166 -0.190 1.141 11.549 1.00 0.00 C ATOM 453 CG ASP A 166 -0.538 2.001 12.753 1.00 0.00 C ATOM 454 OD1 ASP A 166 0.390 2.473 13.443 1.00 0.00 O ATOM 455 OD2 ASP A 166 -1.742 2.183 13.034 1.00 0.00 O ATOM 0 H ASP A 166 0.396 0.095 9.390 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.078 2.359 10.011 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.944 0.362 11.435 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.761 0.640 11.729 1.00 0.00 H new ATOM 461 N ARG A 167 2.171 2.789 10.478 1.00 0.00 N ATOM 462 CA ARG A 167 3.179 3.824 10.675 1.00 0.00 C ATOM 463 C ARG A 167 3.535 4.507 9.353 1.00 0.00 C ATOM 464 O ARG A 167 3.951 5.668 9.342 1.00 0.00 O ATOM 465 CB ARG A 167 4.428 3.250 11.353 1.00 0.00 C ATOM 466 CG ARG A 167 5.092 2.117 10.590 1.00 0.00 C ATOM 467 CD ARG A 167 6.275 1.558 11.362 1.00 0.00 C ATOM 468 NE ARG A 167 6.997 0.532 10.608 1.00 0.00 N ATOM 469 CZ ARG A 167 7.502 -0.574 11.157 1.00 0.00 C ATOM 470 NH1 ARG A 167 7.322 -0.824 12.447 1.00 0.00 N ATOM 471 NH2 ARG A 167 8.192 -1.435 10.419 1.00 0.00 N ATOM 0 H ARG A 167 2.540 1.842 10.390 1.00 0.00 H new ATOM 0 HA ARG A 167 2.756 4.581 11.336 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.153 4.052 11.491 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.156 2.892 12.346 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.367 1.324 10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.426 2.476 9.617 1.00 0.00 H new ATOM 0 HD2 ARG A 167 6.958 2.369 11.613 1.00 0.00 H new ATOM 0 HD3 ARG A 167 5.924 1.134 12.303 1.00 0.00 H new ATOM 0 HE ARG A 167 7.121 0.671 9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 167 6.795 -0.169 13.025 1.00 0.00 H new ATOM 0 HH12 ARG A 167 7.710 -1.671 12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 167 8.339 -1.253 9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 167 8.576 -2.279 10.845 1.00 0.00 H new ATOM 485 N PHE A 168 3.362 3.789 8.247 1.00 0.00 N ATOM 486 CA PHE A 168 3.591 4.349 6.914 1.00 0.00 C ATOM 487 C PHE A 168 2.647 5.523 6.683 1.00 0.00 C ATOM 488 O PHE A 168 3.074 6.631 6.360 1.00 0.00 O ATOM 489 CB PHE A 168 3.362 3.264 5.847 1.00 0.00 C ATOM 490 CG PHE A 168 3.694 3.679 4.438 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.820 4.470 3.711 1.00 0.00 C ATOM 492 CD2 PHE A 168 4.871 3.260 3.835 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.113 4.839 2.413 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.166 3.624 2.535 1.00 0.00 C ATOM 495 CZ PHE A 168 4.287 4.416 1.825 1.00 0.00 C ATOM 0 H PHE A 168 3.063 2.814 8.246 1.00 0.00 H new ATOM 0 HA PHE A 168 4.620 4.702 6.841 1.00 0.00 H new ATOM 0 HB2 PHE A 168 3.962 2.391 6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.317 2.955 5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.898 4.802 4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.564 2.643 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.424 5.458 1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.084 3.289 2.075 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.518 4.704 0.810 1.00 0.00 H new ATOM 505 N TYR A 169 1.366 5.263 6.896 1.00 0.00 N ATOM 506 CA TYR A 169 0.319 6.249 6.681 1.00 0.00 C ATOM 507 C TYR A 169 0.485 7.465 7.595 1.00 0.00 C ATOM 508 O TYR A 169 0.368 8.604 7.145 1.00 0.00 O ATOM 509 CB TYR A 169 -1.044 5.587 6.897 1.00 0.00 C ATOM 510 CG TYR A 169 -2.176 6.547 7.184 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.764 7.283 6.167 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.667 6.701 8.476 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.807 8.146 6.426 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.709 7.566 8.744 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.277 8.285 7.715 1.00 0.00 C ATOM 516 OH TYR A 169 -5.316 9.146 7.977 1.00 0.00 O ATOM 0 H TYR A 169 1.023 4.360 7.224 1.00 0.00 H new ATOM 0 HA TYR A 169 0.391 6.614 5.657 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.295 5.006 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.964 4.884 7.726 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.399 7.179 5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.226 6.135 9.283 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.255 8.711 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -4.076 7.678 9.753 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.831 8.814 8.742 1.00 0.00 H new ATOM 526 N LYS A 170 0.763 7.221 8.873 1.00 0.00 N ATOM 527 CA LYS A 170 0.899 8.305 9.849 1.00 0.00 C ATOM 528 C LYS A 170 2.073 9.219 9.505 1.00 0.00 C ATOM 529 O LYS A 170 1.983 10.439 9.650 1.00 0.00 O ATOM 530 CB LYS A 170 1.087 7.745 11.260 1.00 0.00 C ATOM 531 CG LYS A 170 -0.051 6.851 11.727 1.00 0.00 C ATOM 532 CD LYS A 170 0.242 6.246 13.089 1.00 0.00 C ATOM 533 CE LYS A 170 -0.160 7.182 14.217 1.00 0.00 C ATOM 534 NZ LYS A 170 -1.636 7.216 14.399 1.00 0.00 N ATOM 0 H LYS A 170 0.899 6.286 9.259 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.021 8.889 9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 170 2.018 7.179 11.294 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.193 8.575 11.958 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -0.974 7.429 11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -0.212 6.055 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -0.293 5.302 13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 170 1.305 6.019 13.166 1.00 0.00 H new ATOM 0 HE2 LYS A 170 0.314 6.860 15.144 1.00 0.00 H new ATOM 0 HE3 LYS A 170 0.204 8.187 14.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -1.864 7.681 15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -2.070 7.746 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -2.007 6.245 14.407 1.00 0.00 H new ATOM 548 N THR A 171 3.171 8.627 9.052 1.00 0.00 N ATOM 549 CA THR A 171 4.351 9.392 8.679 1.00 0.00 C ATOM 550 C THR A 171 4.082 10.194 7.408 1.00 0.00 C ATOM 551 O THR A 171 4.408 11.375 7.317 1.00 0.00 O ATOM 552 CB THR A 171 5.563 8.463 8.459 1.00 0.00 C ATOM 553 OG1 THR A 171 5.765 7.644 9.619 1.00 0.00 O ATOM 554 CG2 THR A 171 6.828 9.263 8.175 1.00 0.00 C ATOM 0 H THR A 171 3.268 7.618 8.934 1.00 0.00 H new ATOM 0 HA THR A 171 4.580 10.077 9.496 1.00 0.00 H new ATOM 0 HB THR A 171 5.353 7.834 7.594 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.294 6.792 9.504 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.664 8.580 8.025 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.684 9.864 7.277 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.042 9.918 9.020 1.00 0.00 H new ATOM 562 N LEU A 172 3.447 9.546 6.443 1.00 0.00 N ATOM 563 CA LEU A 172 3.152 10.165 5.162 1.00 0.00 C ATOM 564 C LEU A 172 2.105 11.272 5.313 1.00 0.00 C ATOM 565 O LEU A 172 2.055 12.213 4.518 1.00 0.00 O ATOM 566 CB LEU A 172 2.682 9.091 4.182 1.00 0.00 C ATOM 567 CG LEU A 172 2.457 9.549 2.742 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.680 10.280 2.205 1.00 0.00 C ATOM 569 CD2 LEU A 172 2.140 8.348 1.871 1.00 0.00 C ATOM 0 H LEU A 172 3.124 8.582 6.526 1.00 0.00 H new ATOM 0 HA LEU A 172 4.057 10.631 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 172 3.418 8.287 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.750 8.668 4.557 1.00 0.00 H new ATOM 0 HG LEU A 172 1.616 10.242 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.494 10.595 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 172 3.881 11.155 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.542 9.613 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 172 1.980 8.676 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.973 7.646 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 172 1.239 7.858 2.240 1.00 0.00 H new ATOM 581 N ARG A 173 1.269 11.154 6.335 1.00 0.00 N ATOM 582 CA ARG A 173 0.292 12.184 6.653 1.00 0.00 C ATOM 583 C ARG A 173 0.988 13.448 7.154 1.00 0.00 C ATOM 584 O ARG A 173 0.478 14.557 6.994 1.00 0.00 O ATOM 585 CB ARG A 173 -0.688 11.647 7.697 1.00 0.00 C ATOM 586 CG ARG A 173 -1.835 12.583 8.030 1.00 0.00 C ATOM 587 CD ARG A 173 -2.891 11.870 8.856 1.00 0.00 C ATOM 588 NE ARG A 173 -3.967 12.767 9.286 1.00 0.00 N ATOM 589 CZ ARG A 173 -5.057 12.366 9.949 1.00 0.00 C ATOM 590 NH1 ARG A 173 -5.271 11.072 10.156 1.00 0.00 N ATOM 591 NH2 ARG A 173 -5.950 13.255 10.370 1.00 0.00 N ATOM 0 H ARG A 173 1.249 10.349 6.961 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.261 12.448 5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -1.099 10.704 7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.138 11.428 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.458 13.446 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -2.281 12.961 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.315 11.054 8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.422 11.424 9.733 1.00 0.00 H new ATOM 0 HE ARG A 173 -3.879 13.759 9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -4.604 10.383 9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -6.103 10.767 10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.806 14.248 10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.780 12.944 10.875 1.00 0.00 H new ATOM 605 N ALA A 174 2.170 13.274 7.726 1.00 0.00 N ATOM 606 CA ALA A 174 2.942 14.393 8.249 1.00 0.00 C ATOM 607 C ALA A 174 3.769 15.055 7.152 1.00 0.00 C ATOM 608 O ALA A 174 4.222 16.187 7.307 1.00 0.00 O ATOM 609 CB ALA A 174 3.844 13.934 9.385 1.00 0.00 C ATOM 0 H ALA A 174 2.618 12.365 7.840 1.00 0.00 H new ATOM 0 HA ALA A 174 2.239 15.132 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.413 14.783 9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.235 13.519 10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.531 13.171 9.019 1.00 0.00 H new ATOM 615 N GLU A 175 3.967 14.339 6.046 1.00 0.00 N ATOM 616 CA GLU A 175 4.711 14.869 4.907 1.00 0.00 C ATOM 617 C GLU A 175 4.074 16.149 4.373 1.00 0.00 C ATOM 618 O GLU A 175 2.850 16.260 4.293 1.00 0.00 O ATOM 619 CB GLU A 175 4.788 13.824 3.794 1.00 0.00 C ATOM 620 CG GLU A 175 5.864 12.776 4.014 1.00 0.00 C ATOM 621 CD GLU A 175 7.251 13.382 4.003 1.00 0.00 C ATOM 622 OE1 GLU A 175 7.612 14.013 2.989 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.978 13.243 5.003 1.00 0.00 O ATOM 0 H GLU A 175 3.621 13.388 5.916 1.00 0.00 H new ATOM 0 HA GLU A 175 5.718 15.108 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 175 3.822 13.327 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 175 4.973 14.329 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.694 12.275 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.794 12.015 3.237 1.00 0.00 H new ATOM 631 N GLN A 176 4.917 17.095 3.984 1.00 0.00 N ATOM 632 CA GLN A 176 4.461 18.415 3.557 1.00 0.00 C ATOM 633 C GLN A 176 4.195 18.457 2.055 1.00 0.00 C ATOM 634 O GLN A 176 3.990 19.528 1.482 1.00 0.00 O ATOM 635 CB GLN A 176 5.507 19.467 3.926 1.00 0.00 C ATOM 636 CG GLN A 176 5.809 19.529 5.413 1.00 0.00 C ATOM 637 CD GLN A 176 7.006 20.403 5.725 1.00 0.00 C ATOM 638 OE1 GLN A 176 6.873 21.606 5.951 1.00 0.00 O ATOM 639 NE2 GLN A 176 8.185 19.801 5.734 1.00 0.00 N ATOM 0 H GLN A 176 5.929 16.973 3.955 1.00 0.00 H new ATOM 0 HA GLN A 176 3.524 18.630 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 176 6.429 19.255 3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 176 5.159 20.445 3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 176 4.936 19.911 5.942 1.00 0.00 H new ATOM 0 HG3 GLN A 176 5.992 18.521 5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 176 8.249 18.801 5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 176 9.030 20.337 5.934 1.00 0.00 H new ATOM 648 N ALA A 177 4.199 17.292 1.427 1.00 0.00 N ATOM 649 CA ALA A 177 3.942 17.192 -0.006 1.00 0.00 C ATOM 650 C ALA A 177 2.445 17.254 -0.284 1.00 0.00 C ATOM 651 O ALA A 177 1.632 17.117 0.631 1.00 0.00 O ATOM 652 CB ALA A 177 4.531 15.901 -0.563 1.00 0.00 C ATOM 0 H ALA A 177 4.378 16.399 1.886 1.00 0.00 H new ATOM 0 HA ALA A 177 4.422 18.035 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.331 15.842 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.608 15.890 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.076 15.047 -0.061 1.00 0.00 H new ATOM 658 N SER A 178 2.085 17.462 -1.544 1.00 0.00 N ATOM 659 CA SER A 178 0.685 17.467 -1.949 1.00 0.00 C ATOM 660 C SER A 178 0.091 16.079 -1.800 1.00 0.00 C ATOM 661 O SER A 178 0.797 15.088 -2.001 1.00 0.00 O ATOM 662 CB SER A 178 0.545 17.940 -3.399 1.00 0.00 C ATOM 663 OG SER A 178 -0.753 17.683 -3.910 1.00 0.00 O ATOM 0 H SER A 178 2.744 17.630 -2.304 1.00 0.00 H new ATOM 0 HA SER A 178 0.144 18.158 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 178 0.754 19.008 -3.455 1.00 0.00 H new ATOM 0 HB3 SER A 178 1.287 17.437 -4.019 1.00 0.00 H new ATOM 0 HG SER A 178 -0.808 17.999 -4.836 1.00 0.00 H new ATOM 669 N GLN A 179 -1.189 16.000 -1.450 1.00 0.00 N ATOM 670 CA GLN A 179 -1.838 14.716 -1.224 1.00 0.00 C ATOM 671 C GLN A 179 -1.631 13.794 -2.419 1.00 0.00 C ATOM 672 O GLN A 179 -1.180 12.659 -2.268 1.00 0.00 O ATOM 673 CB GLN A 179 -3.340 14.890 -0.975 1.00 0.00 C ATOM 674 CG GLN A 179 -3.683 15.785 0.207 1.00 0.00 C ATOM 675 CD GLN A 179 -5.158 15.737 0.561 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.584 14.919 1.375 1.00 0.00 O ATOM 677 NE2 GLN A 179 -5.954 16.608 -0.043 1.00 0.00 N ATOM 0 H GLN A 179 -1.795 16.809 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 179 -1.384 14.272 -0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.799 15.303 -1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.785 13.908 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.094 15.480 1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.401 16.812 -0.025 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.567 17.273 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -6.953 16.613 0.162 1.00 0.00 H new ATOM 686 N GLU A 180 -1.908 14.314 -3.607 1.00 0.00 N ATOM 687 CA GLU A 180 -1.868 13.517 -4.826 1.00 0.00 C ATOM 688 C GLU A 180 -0.436 13.161 -5.206 1.00 0.00 C ATOM 689 O GLU A 180 -0.165 12.046 -5.653 1.00 0.00 O ATOM 690 CB GLU A 180 -2.554 14.273 -5.955 1.00 0.00 C ATOM 691 CG GLU A 180 -3.960 14.720 -5.597 1.00 0.00 C ATOM 692 CD GLU A 180 -4.640 15.467 -6.720 1.00 0.00 C ATOM 693 OE1 GLU A 180 -5.513 14.874 -7.384 1.00 0.00 O ATOM 694 OE2 GLU A 180 -4.299 16.645 -6.949 1.00 0.00 O ATOM 0 H GLU A 180 -2.164 15.290 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 180 -2.400 12.583 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -1.956 15.146 -6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -2.594 13.637 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -4.558 13.848 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -3.920 15.358 -4.714 1.00 0.00 H new ATOM 702 N VAL A 181 0.481 14.102 -5.004 1.00 0.00 N ATOM 703 CA VAL A 181 1.892 13.862 -5.281 1.00 0.00 C ATOM 704 C VAL A 181 2.411 12.742 -4.385 1.00 0.00 C ATOM 705 O VAL A 181 3.239 11.926 -4.799 1.00 0.00 O ATOM 706 CB VAL A 181 2.741 15.138 -5.077 1.00 0.00 C ATOM 707 CG1 VAL A 181 4.207 14.864 -5.378 1.00 0.00 C ATOM 708 CG2 VAL A 181 2.219 16.267 -5.954 1.00 0.00 C ATOM 0 H VAL A 181 0.272 15.036 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 181 1.982 13.568 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 181 2.659 15.442 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 181 4.786 15.775 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 181 4.576 14.086 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 181 4.311 14.534 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 181 2.827 17.159 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 181 2.272 15.969 -7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 181 1.184 16.483 -5.691 1.00 0.00 H new ATOM 718 N LYS A 182 1.895 12.694 -3.161 1.00 0.00 N ATOM 719 CA LYS A 182 2.219 11.617 -2.238 1.00 0.00 C ATOM 720 C LYS A 182 1.798 10.272 -2.819 1.00 0.00 C ATOM 721 O LYS A 182 2.568 9.313 -2.796 1.00 0.00 O ATOM 722 CB LYS A 182 1.523 11.811 -0.887 1.00 0.00 C ATOM 723 CG LYS A 182 1.996 13.021 -0.103 1.00 0.00 C ATOM 724 CD LYS A 182 1.242 13.156 1.211 1.00 0.00 C ATOM 725 CE LYS A 182 1.693 14.376 1.994 1.00 0.00 C ATOM 726 NZ LYS A 182 1.003 14.484 3.308 1.00 0.00 N ATOM 0 H LYS A 182 1.250 13.390 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 182 3.298 11.634 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.450 11.900 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.678 10.918 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 182 3.064 12.934 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 182 1.855 13.922 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 182 0.173 13.226 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 182 1.396 12.260 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 182 2.770 14.326 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 182 1.499 15.274 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.401 15.281 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.013 14.643 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.139 13.604 3.845 1.00 0.00 H new ATOM 740 N ASN A 183 0.578 10.216 -3.356 1.00 0.00 N ATOM 741 CA ASN A 183 0.002 8.961 -3.845 1.00 0.00 C ATOM 742 C ASN A 183 0.883 8.342 -4.913 1.00 0.00 C ATOM 743 O ASN A 183 1.209 7.159 -4.845 1.00 0.00 O ATOM 744 CB ASN A 183 -1.399 9.154 -4.438 1.00 0.00 C ATOM 745 CG ASN A 183 -2.312 10.027 -3.601 1.00 0.00 C ATOM 746 OD1 ASN A 183 -3.216 10.676 -4.124 1.00 0.00 O ATOM 747 ND2 ASN A 183 -2.081 10.062 -2.304 1.00 0.00 N ATOM 0 H ASN A 183 -0.032 11.027 -3.464 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.067 8.304 -2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.304 9.594 -5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.865 8.177 -4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -2.662 10.642 -1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -1.321 9.510 -1.906 1.00 0.00 H new ATOM 754 N ALA A 184 1.275 9.164 -5.882 1.00 0.00 N ATOM 755 CA ALA A 184 2.081 8.710 -7.008 1.00 0.00 C ATOM 756 C ALA A 184 3.370 8.052 -6.528 1.00 0.00 C ATOM 757 O ALA A 184 3.798 7.031 -7.062 1.00 0.00 O ATOM 758 CB ALA A 184 2.395 9.880 -7.926 1.00 0.00 C ATOM 0 H ALA A 184 1.044 10.157 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 184 1.509 7.965 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.998 9.533 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.465 10.309 -8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 184 2.948 10.639 -7.372 1.00 0.00 H new ATOM 764 N ALA A 185 3.976 8.635 -5.507 1.00 0.00 N ATOM 765 CA ALA A 185 5.171 8.065 -4.915 1.00 0.00 C ATOM 766 C ALA A 185 4.827 6.805 -4.124 1.00 0.00 C ATOM 767 O ALA A 185 5.484 5.775 -4.263 1.00 0.00 O ATOM 768 CB ALA A 185 5.854 9.089 -4.022 1.00 0.00 C ATOM 0 H ALA A 185 3.659 9.502 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 185 5.859 7.788 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.750 8.649 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 185 6.131 9.961 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 185 5.172 9.391 -3.227 1.00 0.00 H new ATOM 774 N THR A 186 3.762 6.896 -3.334 1.00 0.00 N ATOM 775 CA THR A 186 3.361 5.836 -2.414 1.00 0.00 C ATOM 776 C THR A 186 3.130 4.507 -3.114 1.00 0.00 C ATOM 777 O THR A 186 3.694 3.494 -2.709 1.00 0.00 O ATOM 778 CB THR A 186 2.077 6.223 -1.660 1.00 0.00 C ATOM 779 OG1 THR A 186 2.252 7.477 -0.998 1.00 0.00 O ATOM 780 CG2 THR A 186 1.692 5.160 -0.644 1.00 0.00 C ATOM 0 H THR A 186 3.149 7.711 -3.314 1.00 0.00 H new ATOM 0 HA THR A 186 4.189 5.716 -1.715 1.00 0.00 H new ATOM 0 HB THR A 186 1.274 6.307 -2.392 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.311 8.193 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.781 5.463 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.521 4.213 -1.155 1.00 0.00 H new ATOM 0 HG23 THR A 186 2.497 5.041 0.081 1.00 0.00 H new ATOM 788 N GLU A 187 2.313 4.519 -4.162 1.00 0.00 N ATOM 789 CA GLU A 187 1.971 3.298 -4.891 1.00 0.00 C ATOM 790 C GLU A 187 3.229 2.538 -5.271 1.00 0.00 C ATOM 791 O GLU A 187 3.263 1.306 -5.289 1.00 0.00 O ATOM 792 CB GLU A 187 1.212 3.642 -6.164 1.00 0.00 C ATOM 793 CG GLU A 187 -0.006 4.519 -5.949 1.00 0.00 C ATOM 794 CD GLU A 187 -0.810 4.694 -7.218 1.00 0.00 C ATOM 795 OE1 GLU A 187 -0.597 5.698 -7.930 1.00 0.00 O ATOM 796 OE2 GLU A 187 -1.651 3.820 -7.518 1.00 0.00 O ATOM 0 H GLU A 187 1.873 5.363 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 187 1.350 2.680 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 187 1.891 4.146 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 187 0.898 2.717 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.638 4.079 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 187 0.311 5.496 -5.583 1.00 0.00 H new ATOM 804 N THR A 188 4.256 3.306 -5.564 1.00 0.00 N ATOM 805 CA THR A 188 5.527 2.786 -5.991 1.00 0.00 C ATOM 806 C THR A 188 6.347 2.264 -4.811 1.00 0.00 C ATOM 807 O THR A 188 6.718 1.089 -4.761 1.00 0.00 O ATOM 808 CB THR A 188 6.309 3.909 -6.678 1.00 0.00 C ATOM 809 OG1 THR A 188 5.408 4.744 -7.428 1.00 0.00 O ATOM 810 CG2 THR A 188 7.342 3.337 -7.618 1.00 0.00 C ATOM 0 H THR A 188 4.226 4.324 -5.510 1.00 0.00 H new ATOM 0 HA THR A 188 5.347 1.956 -6.674 1.00 0.00 H new ATOM 0 HB THR A 188 6.809 4.498 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.117 5.495 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 188 7.888 4.150 -8.097 1.00 0.00 H new ATOM 0 HG22 THR A 188 8.038 2.713 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 188 6.847 2.734 -8.379 1.00 0.00 H new ATOM 818 N LEU A 189 6.604 3.144 -3.851 1.00 0.00 N ATOM 819 CA LEU A 189 7.552 2.853 -2.786 1.00 0.00 C ATOM 820 C LEU A 189 6.952 1.992 -1.663 1.00 0.00 C ATOM 821 O LEU A 189 7.689 1.395 -0.883 1.00 0.00 O ATOM 822 CB LEU A 189 8.168 4.158 -2.249 1.00 0.00 C ATOM 823 CG LEU A 189 7.194 5.298 -1.988 1.00 0.00 C ATOM 824 CD1 LEU A 189 6.279 4.923 -0.861 1.00 0.00 C ATOM 825 CD2 LEU A 189 7.929 6.586 -1.673 1.00 0.00 C ATOM 0 H LEU A 189 6.169 4.064 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 189 8.349 2.248 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 189 8.691 3.934 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 189 8.917 4.503 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 189 6.605 5.469 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 189 5.581 5.738 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 189 5.724 4.024 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 189 6.867 4.734 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 189 7.207 7.382 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 189 8.545 6.445 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 189 8.564 6.858 -2.516 1.00 0.00 H new ATOM 837 N LEU A 190 5.622 1.925 -1.587 1.00 0.00 N ATOM 838 CA LEU A 190 4.946 1.082 -0.597 1.00 0.00 C ATOM 839 C LEU A 190 5.340 -0.378 -0.779 1.00 0.00 C ATOM 840 O LEU A 190 5.631 -1.081 0.188 1.00 0.00 O ATOM 841 CB LEU A 190 3.425 1.228 -0.719 1.00 0.00 C ATOM 842 CG LEU A 190 2.602 0.359 0.236 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.846 0.770 1.679 1.00 0.00 C ATOM 844 CD2 LEU A 190 1.123 0.446 -0.107 1.00 0.00 C ATOM 0 H LEU A 190 4.991 2.444 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 190 5.255 1.409 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 190 3.163 2.272 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 190 3.135 0.988 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 190 2.920 -0.677 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 190 2.252 0.141 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.903 0.652 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.558 1.813 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.553 -0.178 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.790 1.480 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.965 0.098 -1.128 1.00 0.00 H new ATOM 856 N VAL A 191 5.355 -0.816 -2.029 1.00 0.00 N ATOM 857 CA VAL A 191 5.737 -2.176 -2.361 1.00 0.00 C ATOM 858 C VAL A 191 7.251 -2.331 -2.242 1.00 0.00 C ATOM 859 O VAL A 191 7.758 -3.371 -1.825 1.00 0.00 O ATOM 860 CB VAL A 191 5.283 -2.532 -3.794 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.630 -3.971 -4.144 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.791 -2.289 -3.957 1.00 0.00 C ATOM 0 H VAL A 191 5.105 -0.242 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 191 5.249 -2.856 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 191 5.820 -1.882 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.297 -4.189 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.709 -4.111 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 191 5.133 -4.645 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.489 -2.545 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 191 3.242 -2.909 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.571 -1.239 -3.767 1.00 0.00 H new ATOM 872 N GLN A 192 7.953 -1.261 -2.588 1.00 0.00 N ATOM 873 CA GLN A 192 9.406 -1.214 -2.562 1.00 0.00 C ATOM 874 C GLN A 192 9.965 -1.451 -1.156 1.00 0.00 C ATOM 875 O GLN A 192 10.901 -2.237 -0.974 1.00 0.00 O ATOM 876 CB GLN A 192 9.833 0.155 -3.084 1.00 0.00 C ATOM 877 CG GLN A 192 11.239 0.571 -2.716 1.00 0.00 C ATOM 878 CD GLN A 192 11.521 2.004 -3.122 1.00 0.00 C ATOM 879 OE1 GLN A 192 12.016 2.265 -4.218 1.00 0.00 O ATOM 880 NE2 GLN A 192 11.183 2.943 -2.245 1.00 0.00 N ATOM 0 H GLN A 192 7.522 -0.390 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 192 9.804 -2.012 -3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.743 0.157 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.138 0.904 -2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.382 0.462 -1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.954 -0.093 -3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 192 10.775 2.680 -1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.331 3.927 -2.469 1.00 0.00 H new ATOM 889 N ASN A 193 9.381 -0.785 -0.165 1.00 0.00 N ATOM 890 CA ASN A 193 9.884 -0.858 1.205 1.00 0.00 C ATOM 891 C ASN A 193 9.390 -2.116 1.917 1.00 0.00 C ATOM 892 O ASN A 193 9.595 -2.280 3.121 1.00 0.00 O ATOM 893 CB ASN A 193 9.482 0.384 2.009 1.00 0.00 C ATOM 894 CG ASN A 193 9.999 1.682 1.411 1.00 0.00 C ATOM 895 OD1 ASN A 193 11.010 1.704 0.711 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.314 2.778 1.701 1.00 0.00 N ATOM 0 H ASN A 193 8.561 -0.190 -0.283 1.00 0.00 H new ATOM 0 HA ASN A 193 10.971 -0.901 1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.395 0.430 2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.858 0.286 3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.620 3.681 1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.480 2.719 2.285 1.00 0.00 H new ATOM 903 N ALA A 194 8.742 -3.002 1.176 1.00 0.00 N ATOM 904 CA ALA A 194 8.303 -4.276 1.722 1.00 0.00 C ATOM 905 C ALA A 194 9.334 -5.363 1.428 1.00 0.00 C ATOM 906 O ALA A 194 10.158 -5.214 0.521 1.00 0.00 O ATOM 907 CB ALA A 194 6.947 -4.658 1.143 1.00 0.00 C ATOM 0 H ALA A 194 8.508 -2.861 0.193 1.00 0.00 H new ATOM 0 HA ALA A 194 8.204 -4.177 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.630 -5.614 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 194 6.215 -3.891 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 194 7.025 -4.743 0.059 1.00 0.00 H new ATOM 913 N ASN A 195 9.304 -6.440 2.208 1.00 0.00 N ATOM 914 CA ASN A 195 10.190 -7.583 1.973 1.00 0.00 C ATOM 915 C ASN A 195 9.858 -8.237 0.640 1.00 0.00 C ATOM 916 O ASN A 195 8.714 -8.166 0.199 1.00 0.00 O ATOM 917 CB ASN A 195 10.057 -8.635 3.079 1.00 0.00 C ATOM 918 CG ASN A 195 10.424 -8.113 4.447 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.588 -8.128 4.843 1.00 0.00 O ATOM 920 ND2 ASN A 195 9.424 -7.672 5.187 1.00 0.00 N ATOM 0 H ASN A 195 8.679 -6.548 3.007 1.00 0.00 H new ATOM 0 HA ASN A 195 11.212 -7.205 1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 195 9.031 -9.001 3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.694 -9.486 2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 195 9.601 -7.325 6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.474 -7.678 4.816 1.00 0.00 H new ATOM 927 N PRO A 196 10.830 -8.901 -0.009 1.00 0.00 N ATOM 928 CA PRO A 196 10.611 -9.554 -1.306 1.00 0.00 C ATOM 929 C PRO A 196 9.418 -10.513 -1.274 1.00 0.00 C ATOM 930 O PRO A 196 8.681 -10.643 -2.256 1.00 0.00 O ATOM 931 CB PRO A 196 11.919 -10.319 -1.564 1.00 0.00 C ATOM 932 CG PRO A 196 12.657 -10.308 -0.267 1.00 0.00 C ATOM 933 CD PRO A 196 12.209 -9.077 0.463 1.00 0.00 C ATOM 0 HA PRO A 196 10.376 -8.832 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.718 -11.339 -1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.503 -9.841 -2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.438 -11.205 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.734 -10.291 -0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.252 -9.210 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.832 -8.215 0.222 1.00 0.00 H new ATOM 941 N ASP A 197 9.223 -11.158 -0.127 1.00 0.00 N ATOM 942 CA ASP A 197 8.118 -12.095 0.055 1.00 0.00 C ATOM 943 C ASP A 197 6.775 -11.383 -0.101 1.00 0.00 C ATOM 944 O ASP A 197 5.944 -11.771 -0.925 1.00 0.00 O ATOM 945 CB ASP A 197 8.202 -12.735 1.444 1.00 0.00 C ATOM 946 CG ASP A 197 7.370 -13.994 1.558 1.00 0.00 C ATOM 947 OD1 ASP A 197 7.960 -15.073 1.776 1.00 0.00 O ATOM 948 OD2 ASP A 197 6.133 -13.921 1.415 1.00 0.00 O ATOM 0 H ASP A 197 9.819 -11.048 0.694 1.00 0.00 H new ATOM 0 HA ASP A 197 8.194 -12.869 -0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 197 9.242 -12.970 1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 197 7.869 -12.015 2.192 1.00 0.00 H new ATOM 954 N CYS A 198 6.584 -10.314 0.669 1.00 0.00 N ATOM 955 CA CYS A 198 5.348 -9.545 0.624 1.00 0.00 C ATOM 956 C CYS A 198 5.254 -8.788 -0.694 1.00 0.00 C ATOM 957 O CYS A 198 4.174 -8.638 -1.262 1.00 0.00 O ATOM 958 CB CYS A 198 5.286 -8.572 1.804 1.00 0.00 C ATOM 959 SG CYS A 198 3.752 -7.619 1.908 1.00 0.00 S ATOM 0 H CYS A 198 7.274 -9.962 1.333 1.00 0.00 H new ATOM 0 HA CYS A 198 4.503 -10.230 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 198 5.414 -9.134 2.729 1.00 0.00 H new ATOM 0 HB3 CYS A 198 6.125 -7.880 1.733 1.00 0.00 H new ATOM 0 HG CYS A 198 3.270 -7.702 3.113 1.00 0.00 H new ATOM 965 N LYS A 199 6.406 -8.327 -1.169 1.00 0.00 N ATOM 966 CA LYS A 199 6.517 -7.619 -2.439 1.00 0.00 C ATOM 967 C LYS A 199 5.929 -8.452 -3.576 1.00 0.00 C ATOM 968 O LYS A 199 5.227 -7.932 -4.443 1.00 0.00 O ATOM 969 CB LYS A 199 7.994 -7.304 -2.702 1.00 0.00 C ATOM 970 CG LYS A 199 8.255 -6.480 -3.950 1.00 0.00 C ATOM 971 CD LYS A 199 9.690 -5.966 -3.973 1.00 0.00 C ATOM 972 CE LYS A 199 9.979 -5.092 -2.758 1.00 0.00 C ATOM 973 NZ LYS A 199 11.353 -4.530 -2.770 1.00 0.00 N ATOM 0 H LYS A 199 7.295 -8.435 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 199 5.951 -6.689 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 199 8.397 -6.771 -1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.543 -8.242 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 199 8.067 -7.086 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 199 7.563 -5.639 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 199 10.381 -6.809 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 199 9.860 -5.394 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 199 9.257 -4.276 -2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.839 -5.680 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.391 -3.693 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 12.024 -5.246 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.608 -4.257 -3.741 1.00 0.00 H new ATOM 987 N THR A 200 6.203 -9.750 -3.548 1.00 0.00 N ATOM 988 CA THR A 200 5.664 -10.673 -4.535 1.00 0.00 C ATOM 989 C THR A 200 4.139 -10.763 -4.424 1.00 0.00 C ATOM 990 O THR A 200 3.430 -10.746 -5.430 1.00 0.00 O ATOM 991 CB THR A 200 6.291 -12.073 -4.367 1.00 0.00 C ATOM 992 OG1 THR A 200 7.721 -11.980 -4.480 1.00 0.00 O ATOM 993 CG2 THR A 200 5.761 -13.053 -5.403 1.00 0.00 C ATOM 0 H THR A 200 6.800 -10.188 -2.847 1.00 0.00 H new ATOM 0 HA THR A 200 5.916 -10.291 -5.524 1.00 0.00 H new ATOM 0 HB THR A 200 6.018 -12.446 -3.380 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.079 -11.493 -3.709 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.225 -14.028 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.680 -13.146 -5.297 1.00 0.00 H new ATOM 0 HG23 THR A 200 5.997 -12.689 -6.403 1.00 0.00 H new ATOM 1001 N ILE A 201 3.644 -10.822 -3.189 1.00 0.00 N ATOM 1002 CA ILE A 201 2.212 -10.937 -2.934 1.00 0.00 C ATOM 1003 C ILE A 201 1.475 -9.673 -3.378 1.00 0.00 C ATOM 1004 O ILE A 201 0.386 -9.741 -3.948 1.00 0.00 O ATOM 1005 CB ILE A 201 1.932 -11.191 -1.436 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.709 -12.416 -0.947 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.441 -11.380 -1.197 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.584 -12.662 0.543 1.00 0.00 C ATOM 0 H ILE A 201 4.218 -10.792 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 201 1.847 -11.786 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 201 2.265 -10.320 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.355 -13.297 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.762 -12.291 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.262 -11.558 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.094 -10.483 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.086 -12.234 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.161 -13.546 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.965 -11.798 1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.536 -12.819 0.799 1.00 0.00 H new ATOM 1020 N LEU A 202 2.087 -8.522 -3.126 1.00 0.00 N ATOM 1021 CA LEU A 202 1.498 -7.240 -3.496 1.00 0.00 C ATOM 1022 C LEU A 202 1.332 -7.141 -5.011 1.00 0.00 C ATOM 1023 O LEU A 202 0.318 -6.648 -5.507 1.00 0.00 O ATOM 1024 CB LEU A 202 2.372 -6.089 -2.986 1.00 0.00 C ATOM 1025 CG LEU A 202 2.619 -6.077 -1.474 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.563 -4.947 -1.091 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.307 -5.951 -0.719 1.00 0.00 C ATOM 0 H LEU A 202 2.994 -8.450 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 202 0.513 -7.168 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.335 -6.132 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.904 -5.146 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 202 3.087 -7.022 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.724 -4.957 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.517 -5.081 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 202 3.125 -3.992 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.503 -5.944 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.812 -5.023 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.663 -6.796 -0.965 1.00 0.00 H new ATOM 1039 N LYS A 203 2.331 -7.631 -5.740 1.00 0.00 N ATOM 1040 CA LYS A 203 2.300 -7.618 -7.199 1.00 0.00 C ATOM 1041 C LYS A 203 1.344 -8.679 -7.733 1.00 0.00 C ATOM 1042 O LYS A 203 0.814 -8.550 -8.836 1.00 0.00 O ATOM 1043 CB LYS A 203 3.702 -7.842 -7.770 1.00 0.00 C ATOM 1044 CG LYS A 203 4.682 -6.739 -7.408 1.00 0.00 C ATOM 1045 CD LYS A 203 6.073 -7.030 -7.947 1.00 0.00 C ATOM 1046 CE LYS A 203 7.062 -5.947 -7.555 1.00 0.00 C ATOM 1047 NZ LYS A 203 6.715 -4.633 -8.155 1.00 0.00 N ATOM 0 H LYS A 203 3.175 -8.043 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 203 1.943 -6.639 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 203 4.087 -8.794 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.637 -7.919 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.327 -5.790 -7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 203 4.726 -6.631 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.417 -7.992 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 203 6.033 -7.111 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 203 7.087 -5.855 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 203 8.063 -6.238 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.498 -3.965 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 6.550 -4.750 -9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 5.854 -4.263 -7.705 1.00 0.00 H new ATOM 1061 N ALA A 204 1.145 -9.736 -6.958 1.00 0.00 N ATOM 1062 CA ALA A 204 0.220 -10.795 -7.336 1.00 0.00 C ATOM 1063 C ALA A 204 -1.217 -10.287 -7.326 1.00 0.00 C ATOM 1064 O ALA A 204 -2.016 -10.634 -8.197 1.00 0.00 O ATOM 1065 CB ALA A 204 0.374 -11.994 -6.411 1.00 0.00 C ATOM 0 H ALA A 204 1.612 -9.883 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 204 0.460 -11.112 -8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.325 -12.775 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.393 -12.375 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 204 0.164 -11.691 -5.385 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.535 -9.461 -6.335 1.00 0.00 N ATOM 1072 CA LEU A 205 -2.859 -8.857 -6.228 1.00 0.00 C ATOM 1073 C LEU A 205 -3.121 -7.900 -7.386 1.00 0.00 C ATOM 1074 O LEU A 205 -4.152 -7.982 -8.057 1.00 0.00 O ATOM 1075 CB LEU A 205 -2.995 -8.113 -4.897 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.152 -9.004 -3.666 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -2.877 -8.212 -2.401 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -4.555 -9.587 -3.617 1.00 0.00 C ATOM 0 H LEU A 205 -0.891 -9.193 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.598 -9.657 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.116 -7.483 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.857 -7.449 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 205 -2.431 -9.818 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -2.993 -8.861 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -1.859 -7.823 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -3.581 -7.383 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -4.655 -10.220 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -5.284 -8.778 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -4.733 -10.181 -4.513 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.178 -7.000 -7.619 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.317 -6.047 -8.699 1.00 0.00 C ATOM 1092 C GLY A 206 -2.769 -4.680 -8.217 1.00 0.00 C ATOM 1093 O GLY A 206 -3.136 -4.520 -7.054 1.00 0.00 O ATOM 0 H GLY A 206 -1.318 -6.913 -7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.363 -5.948 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.035 -6.428 -9.425 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.761 -3.672 -9.104 1.00 0.00 N ATOM 1098 CA PRO A 207 -3.150 -2.298 -8.760 1.00 0.00 C ATOM 1099 C PRO A 207 -4.663 -2.100 -8.702 1.00 0.00 C ATOM 1100 O PRO A 207 -5.145 -1.018 -8.364 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.567 -1.477 -9.905 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.538 -2.405 -11.070 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.343 -3.790 -10.514 1.00 0.00 C ATOM 0 HA PRO A 207 -2.791 -2.018 -7.770 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.180 -0.600 -10.114 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.567 -1.116 -9.663 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.466 -2.343 -11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.729 -2.144 -11.753 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.947 -4.523 -11.049 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.304 -4.111 -10.597 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.409 -3.142 -9.044 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.864 -3.058 -9.090 1.00 0.00 C ATOM 1113 C ALA A 208 -7.472 -3.317 -7.717 1.00 0.00 C ATOM 1114 O ALA A 208 -8.601 -2.908 -7.438 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.413 -4.039 -10.111 1.00 0.00 C ATOM 0 H ALA A 208 -5.031 -4.056 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 208 -7.139 -2.047 -9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.500 -3.967 -10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -7.011 -3.802 -11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -7.123 -5.053 -9.834 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.709 -3.986 -6.860 1.00 0.00 N ATOM 1122 CA ALA A 209 -7.172 -4.321 -5.521 1.00 0.00 C ATOM 1123 C ALA A 209 -6.931 -3.154 -4.572 1.00 0.00 C ATOM 1124 O ALA A 209 -6.190 -2.225 -4.896 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.473 -5.580 -5.024 1.00 0.00 C ATOM 0 H ALA A 209 -5.764 -4.307 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 209 -8.244 -4.516 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.827 -5.821 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.695 -6.409 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.396 -5.412 -4.998 1.00 0.00 H new ATOM 1131 N THR A 210 -7.550 -3.200 -3.401 1.00 0.00 N ATOM 1132 CA THR A 210 -7.480 -2.082 -2.473 1.00 0.00 C ATOM 1133 C THR A 210 -6.579 -2.418 -1.298 1.00 0.00 C ATOM 1134 O THR A 210 -6.232 -3.579 -1.104 1.00 0.00 O ATOM 1135 CB THR A 210 -8.868 -1.689 -1.932 1.00 0.00 C ATOM 1136 OG1 THR A 210 -9.314 -2.650 -0.967 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.883 -1.605 -3.057 1.00 0.00 C ATOM 0 H THR A 210 -8.102 -3.993 -3.073 1.00 0.00 H new ATOM 0 HA THR A 210 -7.072 -1.239 -3.032 1.00 0.00 H new ATOM 0 HB THR A 210 -8.779 -0.710 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 210 -9.681 -3.432 -1.430 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.855 -1.326 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.563 -0.855 -3.780 1.00 0.00 H new ATOM 0 HG23 THR A 210 -9.961 -2.574 -3.550 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.241 -1.407 -0.502 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.320 -1.561 0.623 1.00 0.00 C ATOM 1147 C LEU A 211 -5.674 -2.760 1.502 1.00 0.00 C ATOM 1148 O LEU A 211 -4.804 -3.562 1.853 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.342 -0.292 1.466 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.420 -0.288 2.680 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.964 -0.389 2.254 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.654 0.971 3.490 1.00 0.00 C ATOM 0 H LEU A 211 -6.597 -0.458 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.324 -1.736 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.076 0.551 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.363 -0.123 1.808 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.646 -1.157 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.325 -0.384 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.810 -1.315 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.711 0.460 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -3.994 0.973 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.445 1.845 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.692 1.002 3.823 1.00 0.00 H new ATOM 1164 N GLU A 212 -6.952 -2.889 1.837 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.395 -3.914 2.762 1.00 0.00 C ATOM 1166 C GLU A 212 -7.188 -5.314 2.182 1.00 0.00 C ATOM 1167 O GLU A 212 -7.044 -6.286 2.930 1.00 0.00 O ATOM 1168 CB GLU A 212 -8.858 -3.688 3.145 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.313 -4.552 4.303 1.00 0.00 C ATOM 1170 CD GLU A 212 -10.621 -4.089 4.905 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.691 -4.532 4.440 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -10.585 -3.287 5.859 1.00 0.00 O ATOM 0 H GLU A 212 -7.698 -2.293 1.479 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.788 -3.843 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.001 -2.639 3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.489 -3.891 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.420 -5.581 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -8.543 -4.551 5.075 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.153 -5.426 0.857 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.879 -6.712 0.232 1.00 0.00 C ATOM 1182 C GLU A 213 -5.448 -7.159 0.524 1.00 0.00 C ATOM 1183 O GLU A 213 -5.212 -8.327 0.818 1.00 0.00 O ATOM 1184 CB GLU A 213 -7.136 -6.671 -1.276 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.585 -6.945 -1.658 1.00 0.00 C ATOM 1186 CD GLU A 213 -9.542 -5.863 -1.202 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -9.798 -4.930 -1.991 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -10.055 -5.938 -0.065 1.00 0.00 O ATOM 0 H GLU A 213 -7.308 -4.656 0.207 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.565 -7.441 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.848 -5.692 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.496 -7.405 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.654 -7.048 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.893 -7.897 -1.227 1.00 0.00 H new ATOM 1196 N MET A 214 -4.501 -6.225 0.475 1.00 0.00 N ATOM 1197 CA MET A 214 -3.110 -6.537 0.807 1.00 0.00 C ATOM 1198 C MET A 214 -2.981 -6.879 2.284 1.00 0.00 C ATOM 1199 O MET A 214 -2.218 -7.769 2.665 1.00 0.00 O ATOM 1200 CB MET A 214 -2.167 -5.376 0.474 1.00 0.00 C ATOM 1201 CG MET A 214 -2.056 -5.084 -1.008 1.00 0.00 C ATOM 1202 SD MET A 214 -3.468 -4.168 -1.630 1.00 0.00 S ATOM 1203 CE MET A 214 -3.529 -4.750 -3.317 1.00 0.00 C ATOM 0 H MET A 214 -4.667 -5.254 0.211 1.00 0.00 H new ATOM 0 HA MET A 214 -2.822 -7.396 0.201 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.515 -4.479 0.986 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.175 -5.602 0.865 1.00 0.00 H new ATOM 0 HG2 MET A 214 -1.145 -4.515 -1.197 1.00 0.00 H new ATOM 0 HG3 MET A 214 -1.965 -6.022 -1.555 1.00 0.00 H new ATOM 0 HE1 MET A 214 -3.887 -3.950 -3.965 1.00 0.00 H new ATOM 0 HE2 MET A 214 -2.531 -5.054 -3.633 1.00 0.00 H new ATOM 0 HE3 MET A 214 -4.206 -5.602 -3.384 1.00 0.00 H new ATOM 1213 N MET A 215 -3.739 -6.170 3.109 1.00 0.00 N ATOM 1214 CA MET A 215 -3.737 -6.412 4.545 1.00 0.00 C ATOM 1215 C MET A 215 -4.223 -7.827 4.843 1.00 0.00 C ATOM 1216 O MET A 215 -3.707 -8.498 5.733 1.00 0.00 O ATOM 1217 CB MET A 215 -4.621 -5.386 5.255 1.00 0.00 C ATOM 1218 CG MET A 215 -4.189 -3.951 5.025 1.00 0.00 C ATOM 1219 SD MET A 215 -5.255 -2.768 5.863 1.00 0.00 S ATOM 1220 CE MET A 215 -4.017 -1.717 6.610 1.00 0.00 C ATOM 0 H MET A 215 -4.364 -5.422 2.808 1.00 0.00 H new ATOM 0 HA MET A 215 -2.717 -6.309 4.916 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.649 -5.506 4.914 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.614 -5.592 6.325 1.00 0.00 H new ATOM 0 HG2 MET A 215 -3.164 -3.823 5.374 1.00 0.00 H new ATOM 0 HG3 MET A 215 -4.190 -3.742 3.955 1.00 0.00 H new ATOM 0 HE1 MET A 215 -4.380 -1.354 7.572 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.099 -2.286 6.760 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.816 -0.869 5.955 1.00 0.00 H new ATOM 1230 N THR A 216 -5.207 -8.275 4.071 1.00 0.00 N ATOM 1231 CA THR A 216 -5.752 -9.621 4.208 1.00 0.00 C ATOM 1232 C THR A 216 -4.843 -10.652 3.529 1.00 0.00 C ATOM 1233 O THR A 216 -4.777 -11.808 3.945 1.00 0.00 O ATOM 1234 CB THR A 216 -7.168 -9.692 3.598 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.970 -8.619 4.117 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.840 -11.025 3.911 1.00 0.00 C ATOM 0 H THR A 216 -5.647 -7.720 3.337 1.00 0.00 H new ATOM 0 HA THR A 216 -5.808 -9.854 5.271 1.00 0.00 H new ATOM 0 HB THR A 216 -7.076 -9.601 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.675 -7.771 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.836 -11.044 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 216 -7.244 -11.839 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.922 -11.147 4.991 1.00 0.00 H new ATOM 1244 N ALA A 217 -4.136 -10.225 2.489 1.00 0.00 N ATOM 1245 CA ALA A 217 -3.196 -11.094 1.789 1.00 0.00 C ATOM 1246 C ALA A 217 -2.008 -11.431 2.685 1.00 0.00 C ATOM 1247 O ALA A 217 -1.407 -12.501 2.573 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.724 -10.436 0.497 1.00 0.00 C ATOM 0 H ALA A 217 -4.196 -9.280 2.111 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.707 -12.023 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -2.023 -11.097 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.581 -10.247 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.230 -9.493 0.729 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.688 -10.508 3.586 1.00 0.00 N ATOM 1255 CA CYS A 218 -0.604 -10.697 4.538 1.00 0.00 C ATOM 1256 C CYS A 218 -1.053 -11.583 5.699 1.00 0.00 C ATOM 1257 O CYS A 218 -0.229 -12.079 6.471 1.00 0.00 O ATOM 1258 CB CYS A 218 -0.122 -9.336 5.052 1.00 0.00 C ATOM 1259 SG CYS A 218 1.191 -9.423 6.292 1.00 0.00 S ATOM 0 H CYS A 218 -2.171 -9.614 3.675 1.00 0.00 H new ATOM 0 HA CYS A 218 0.223 -11.197 4.034 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.233 -8.748 4.206 1.00 0.00 H new ATOM 0 HB3 CYS A 218 -0.971 -8.801 5.478 1.00 0.00 H new ATOM 0 HG CYS A 218 1.120 -10.559 6.920 1.00 0.00 H new ATOM 1472 N THR B 2 -2.190 3.697 -2.239 1.00 0.00 N ATOM 1473 CA THR B 2 -1.796 5.086 -2.405 1.00 0.00 C ATOM 1474 C THR B 2 -2.119 5.824 -1.113 1.00 0.00 C ATOM 1475 O THR B 2 -2.840 5.284 -0.276 1.00 0.00 O ATOM 1476 CB THR B 2 -2.510 5.766 -3.605 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.530 6.658 -3.146 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.147 4.743 -4.533 1.00 0.00 C ATOM 0 HA THR B 2 -0.728 5.124 -2.620 1.00 0.00 H new ATOM 0 HB THR B 2 -1.747 6.319 -4.154 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.968 7.078 -3.916 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.637 5.257 -5.360 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.377 4.078 -4.924 1.00 0.00 H new ATOM 0 HG23 THR B 2 -3.884 4.160 -3.981 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.595 7.026 -0.916 1.00 0.00 N ATOM 1487 CA PHE B 3 -1.915 7.771 0.298 1.00 0.00 C ATOM 1488 C PHE B 3 -3.388 8.176 0.293 1.00 0.00 C ATOM 1489 O PHE B 3 -4.021 8.224 1.343 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.026 9.006 0.460 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.205 9.688 1.789 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.047 8.977 2.966 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.523 11.034 1.861 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.204 9.593 4.191 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.683 11.656 3.085 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.522 10.932 4.253 1.00 0.00 C ATOM 0 H PHE B 3 -0.962 7.498 -1.562 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.724 7.116 1.148 1.00 0.00 H new ATOM 0 HB2 PHE B 3 0.018 8.713 0.346 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.248 9.714 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -0.798 7.927 2.925 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.647 11.603 0.952 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.078 9.025 5.101 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -1.933 12.706 3.130 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.645 11.415 5.211 1.00 0.00 H new ATOM 1526 N ASP B 5 -5.817 6.428 -1.015 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.412 5.175 -0.544 1.00 0.00 C ATOM 1528 C ASP B 5 -6.207 5.003 0.960 1.00 0.00 C ATOM 1529 O ASP B 5 -7.134 4.647 1.688 1.00 0.00 O ATOM 1530 CB ASP B 5 -5.790 4.002 -1.324 1.00 0.00 C ATOM 1531 CG ASP B 5 -5.821 2.679 -0.585 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -6.860 1.990 -0.614 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -4.773 2.306 -0.020 1.00 0.00 O ATOM 0 HA ASP B 5 -7.487 5.197 -0.722 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -6.318 3.889 -2.271 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -4.755 4.248 -1.564 1.00 0.00 H new ATOM 1539 N LEU B 6 -4.995 5.291 1.421 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.654 5.171 2.835 1.00 0.00 C ATOM 1541 C LEU B 6 -5.518 6.087 3.700 1.00 0.00 C ATOM 1542 O LEU B 6 -6.068 5.658 4.718 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.175 5.508 3.057 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.324 4.366 3.606 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.019 3.746 4.797 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.050 3.329 2.528 1.00 0.00 C ATOM 0 H LEU B 6 -4.227 5.612 0.832 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.843 4.139 3.130 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -2.747 5.836 2.109 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.110 6.351 3.745 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.361 4.762 3.929 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.411 2.930 5.189 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.157 4.501 5.571 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -3.991 3.359 4.490 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.442 2.525 2.943 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -2.994 2.921 2.167 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.517 3.797 1.700 1.00 0.00 H new ATOM 1558 N LEU B 7 -5.617 7.347 3.295 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.417 8.328 4.015 1.00 0.00 C ATOM 1560 C LEU B 7 -7.852 7.860 4.167 1.00 0.00 C ATOM 1561 O LEU B 7 -8.361 7.750 5.280 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.413 9.681 3.289 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.208 10.582 3.565 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.214 11.779 2.626 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.221 11.058 5.009 1.00 0.00 C ATOM 0 H LEU B 7 -5.150 7.715 2.466 1.00 0.00 H new ATOM 0 HA LEU B 7 -5.969 8.443 5.002 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.466 9.496 2.216 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.318 10.222 3.565 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.301 10.003 3.393 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.350 12.410 2.835 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.168 11.432 1.594 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.128 12.354 2.775 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.357 11.698 5.189 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.135 11.621 5.198 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.180 10.197 5.676 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.126 5.059 3.764 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.261 3.799 4.474 1.00 0.00 C ATOM 1599 C TYR B 9 -9.417 4.034 5.974 1.00 0.00 C ATOM 1600 O TYR B 9 -10.399 3.608 6.580 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.063 2.882 4.221 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.153 1.591 4.997 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -9.120 0.646 4.687 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.297 1.333 6.060 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -9.230 -0.521 5.411 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.405 0.171 6.793 1.00 0.00 C ATOM 1607 CZ TYR B 9 -8.371 -0.755 6.464 1.00 0.00 C ATOM 1608 OH TYR B 9 -8.495 -1.909 7.202 1.00 0.00 O ATOM 0 HA TYR B 9 -10.158 3.310 4.093 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -7.998 2.659 3.156 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.146 3.404 4.494 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.797 0.828 3.865 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.535 2.054 6.316 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -9.985 -1.249 5.155 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -6.736 -0.013 7.621 1.00 0.00 H new ATOM 0 HH TYR B 9 -9.181 -2.482 6.800 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.442 4.714 6.566 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.464 4.991 7.998 1.00 0.00 C ATOM 1620 C TYR B 10 -9.510 6.038 8.348 1.00 0.00 C ATOM 1621 O TYR B 10 -10.152 5.964 9.397 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.090 5.446 8.488 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.089 4.323 8.631 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -6.111 3.492 9.742 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.119 4.100 7.665 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -5.196 2.469 9.887 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.201 3.077 7.801 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.243 2.266 8.915 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.325 1.250 9.058 1.00 0.00 O ATOM 0 H TYR B 10 -7.627 5.084 6.077 1.00 0.00 H new ATOM 0 HA TYR B 10 -8.728 4.061 8.501 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -6.694 6.186 7.793 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.205 5.942 9.452 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -6.857 3.648 10.507 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.081 4.736 6.793 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.228 1.831 10.758 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.454 2.913 7.038 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.410 0.624 8.309 1.00 0.00 H new