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 -141:sc= -1.84 (180deg=-2.2) USER MOD Set 1.2: B 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 183 ASN : amide:sc= -0.524 X(o=0.65,f=0.57) USER MOD Set 2.2: B 2 THR OG1 : rot 88:sc= 1.18 USER MOD Set 3.1: A 192 GLN : amide:sc= 0.226 X(o=1.5,f=1.1) USER MOD Set 3.2: A 193 ASN : amide:sc= 1.29 K(o=1.5,f=-1.2) USER MOD Set 4.1: A 155 GLN : amide:sc= 0.926 K(o=1,f=-0.62) USER MOD Set 4.2: A 198 CYS SG : rot 130:sc= 0.0843 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot -78:sc= 0.0749 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -177:sc= 1.03 (180deg=0.865) USER MOD Single : A 171 THR OG1 : rot 77:sc= 0.198 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= -0.826 K(o=-0.83,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 171:sc= 1.89 (180deg=1.79) USER MOD Single : A 186 THR OG1 : rot 85:sc= 0.909 USER MOD Single : A 188 THR OG1 : rot 87:sc= 0.675 USER MOD Single : A 195 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.3!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 65:sc= 1.25 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 66:sc= 1.16 USER MOD Single : A 214 MET CE :methyl -128:sc= -2.37 (180deg=-6.78!) USER MOD Single : A 216 THR OG1 : rot 82:sc= 0.952 USER MOD Single : A 218 CYS SG : rot 73:sc= -1.08 USER MOD Single : B 10 TYR OH : rot 100:sc= -0.945 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.663 9.085 4.789 1.00 0.00 N ATOM 171 CA ILE A 150 8.768 7.989 4.341 1.00 0.00 C ATOM 172 C ILE A 150 9.527 6.844 3.646 1.00 0.00 C ATOM 173 O ILE A 150 9.152 5.680 3.778 1.00 0.00 O ATOM 174 CB ILE A 150 7.563 8.462 3.465 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.434 7.430 3.520 1.00 0.00 C ATOM 176 CG2 ILE A 150 7.951 8.693 2.010 1.00 0.00 C ATOM 177 CD1 ILE A 150 5.933 7.145 4.919 1.00 0.00 C ATOM 0 HA ILE A 150 8.344 7.601 5.267 1.00 0.00 H new ATOM 0 HB ILE A 150 7.231 9.414 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.602 7.783 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 150 6.783 6.499 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 150 7.076 9.020 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.724 9.460 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.331 7.765 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.134 6.405 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.752 6.760 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.552 8.064 5.363 1.00 0.00 H new ATOM 189 N LEU A 151 10.605 7.168 2.946 1.00 0.00 N ATOM 190 CA LEU A 151 11.413 6.172 2.252 1.00 0.00 C ATOM 191 C LEU A 151 12.064 5.207 3.238 1.00 0.00 C ATOM 192 O LEU A 151 12.285 4.042 2.922 1.00 0.00 O ATOM 193 CB LEU A 151 12.498 6.862 1.420 1.00 0.00 C ATOM 194 CG LEU A 151 11.993 7.904 0.419 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.157 8.535 -0.327 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.014 7.273 -0.555 1.00 0.00 C ATOM 0 H LEU A 151 10.944 8.124 2.843 1.00 0.00 H new ATOM 0 HA LEU A 151 10.754 5.604 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.200 7.345 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.055 6.099 0.875 1.00 0.00 H new ATOM 0 HG LEU A 151 11.474 8.688 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 151 12.779 9.273 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 151 13.824 9.022 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 151 13.705 7.763 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 151 10.665 8.028 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 151 11.510 6.469 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.164 6.868 -0.006 1.00 0.00 H new ATOM 208 N ASP A 152 12.348 5.693 4.439 1.00 0.00 N ATOM 209 CA ASP A 152 13.025 4.884 5.449 1.00 0.00 C ATOM 210 C ASP A 152 12.027 4.029 6.229 1.00 0.00 C ATOM 211 O ASP A 152 12.408 3.204 7.056 1.00 0.00 O ATOM 212 CB ASP A 152 13.821 5.783 6.402 1.00 0.00 C ATOM 213 CG ASP A 152 14.685 4.995 7.368 1.00 0.00 C ATOM 214 OD1 ASP A 152 14.691 5.322 8.572 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.370 4.047 6.928 1.00 0.00 O ATOM 0 H ASP A 152 12.122 6.641 4.739 1.00 0.00 H new ATOM 0 HA ASP A 152 13.716 4.212 4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 152 14.453 6.453 5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 152 13.130 6.408 6.967 1.00 0.00 H new ATOM 221 N ILE A 153 10.743 4.217 5.955 1.00 0.00 N ATOM 222 CA ILE A 153 9.707 3.441 6.622 1.00 0.00 C ATOM 223 C ILE A 153 9.545 2.090 5.933 1.00 0.00 C ATOM 224 O ILE A 153 8.681 1.907 5.075 1.00 0.00 O ATOM 225 CB ILE A 153 8.353 4.190 6.645 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.515 5.569 7.293 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.296 3.378 7.387 1.00 0.00 C ATOM 228 CD1 ILE A 153 9.019 5.519 8.722 1.00 0.00 C ATOM 0 H ILE A 153 10.395 4.897 5.279 1.00 0.00 H new ATOM 0 HA ILE A 153 10.018 3.290 7.656 1.00 0.00 H new ATOM 0 HB ILE A 153 8.022 4.324 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.206 6.162 6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.554 6.084 7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.353 3.925 7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.158 2.419 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.621 3.210 8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 153 9.108 6.533 9.112 1.00 0.00 H new ATOM 0 HD12 ILE A 153 8.317 4.954 9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.995 5.034 8.747 1.00 0.00 H new ATOM 240 N ARG A 154 10.407 1.159 6.296 1.00 0.00 N ATOM 241 CA ARG A 154 10.395 -0.170 5.712 1.00 0.00 C ATOM 242 C ARG A 154 9.758 -1.164 6.674 1.00 0.00 C ATOM 243 O ARG A 154 9.911 -1.053 7.893 1.00 0.00 O ATOM 244 CB ARG A 154 11.825 -0.600 5.368 1.00 0.00 C ATOM 245 CG ARG A 154 11.926 -2.017 4.836 1.00 0.00 C ATOM 246 CD ARG A 154 13.363 -2.397 4.542 1.00 0.00 C ATOM 247 NE ARG A 154 13.495 -3.808 4.194 1.00 0.00 N ATOM 248 CZ ARG A 154 14.617 -4.351 3.734 1.00 0.00 C ATOM 249 NH1 ARG A 154 15.687 -3.594 3.528 1.00 0.00 N ATOM 250 NH2 ARG A 154 14.676 -5.652 3.485 1.00 0.00 N ATOM 0 H ARG A 154 11.132 1.301 7.000 1.00 0.00 H new ATOM 0 HA ARG A 154 9.803 -0.150 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.233 0.087 4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.446 -0.511 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 154 11.506 -2.711 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 154 11.331 -2.109 3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 154 13.740 -1.785 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 154 13.981 -2.179 5.413 1.00 0.00 H new ATOM 0 HE ARG A 154 12.681 -4.411 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 154 15.649 -2.593 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 154 16.548 -4.013 3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 154 13.858 -6.240 3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 154 15.539 -6.065 3.132 1.00 0.00 H new ATOM 264 N GLN A 155 9.042 -2.125 6.112 1.00 0.00 N ATOM 265 CA GLN A 155 8.386 -3.162 6.892 1.00 0.00 C ATOM 266 C GLN A 155 9.422 -4.113 7.481 1.00 0.00 C ATOM 267 O GLN A 155 10.411 -4.448 6.825 1.00 0.00 O ATOM 268 CB GLN A 155 7.424 -3.940 5.994 1.00 0.00 C ATOM 269 CG GLN A 155 6.539 -4.925 6.738 1.00 0.00 C ATOM 270 CD GLN A 155 5.733 -5.794 5.795 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.400 -5.386 4.684 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.401 -6.994 6.237 1.00 0.00 N ATOM 0 H GLN A 155 8.900 -2.208 5.105 1.00 0.00 H new ATOM 0 HA GLN A 155 7.831 -2.698 7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 155 6.791 -3.232 5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.001 -4.481 5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.158 -5.558 7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 155 5.862 -4.379 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.697 -7.295 7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.849 -7.619 5.650 1.00 0.00 H new ATOM 281 N GLY A 156 9.204 -4.529 8.719 1.00 0.00 N ATOM 282 CA GLY A 156 10.071 -5.512 9.329 1.00 0.00 C ATOM 283 C GLY A 156 9.841 -6.890 8.738 1.00 0.00 C ATOM 284 O GLY A 156 8.712 -7.225 8.380 1.00 0.00 O ATOM 0 H GLY A 156 8.441 -4.202 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.112 -5.221 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 156 9.893 -5.540 10.404 1.00 0.00 H new ATOM 288 N PRO A 157 10.891 -7.716 8.619 1.00 0.00 N ATOM 289 CA PRO A 157 10.796 -9.046 7.995 1.00 0.00 C ATOM 290 C PRO A 157 9.792 -9.956 8.705 1.00 0.00 C ATOM 291 O PRO A 157 9.208 -10.853 8.094 1.00 0.00 O ATOM 292 CB PRO A 157 12.215 -9.613 8.122 1.00 0.00 C ATOM 293 CG PRO A 157 12.878 -8.785 9.171 1.00 0.00 C ATOM 294 CD PRO A 157 12.256 -7.423 9.079 1.00 0.00 C ATOM 0 HA PRO A 157 10.442 -8.981 6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.194 -10.665 8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 157 12.750 -9.550 7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.728 -9.216 10.161 1.00 0.00 H new ATOM 0 HG3 PRO A 157 13.954 -8.734 9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.257 -6.913 10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 157 12.790 -6.782 8.378 1.00 0.00 H new ATOM 302 N LYS A 158 9.599 -9.716 9.995 1.00 0.00 N ATOM 303 CA LYS A 158 8.641 -10.478 10.783 1.00 0.00 C ATOM 304 C LYS A 158 7.484 -9.587 11.224 1.00 0.00 C ATOM 305 O LYS A 158 6.647 -9.989 12.034 1.00 0.00 O ATOM 306 CB LYS A 158 9.323 -11.084 12.010 1.00 0.00 C ATOM 307 CG LYS A 158 9.983 -10.045 12.899 1.00 0.00 C ATOM 308 CD LYS A 158 10.516 -10.655 14.185 1.00 0.00 C ATOM 309 CE LYS A 158 9.390 -11.202 15.050 1.00 0.00 C ATOM 310 NZ LYS A 158 9.898 -11.839 16.290 1.00 0.00 N ATOM 0 H LYS A 158 10.096 -8.996 10.519 1.00 0.00 H new ATOM 0 HA LYS A 158 8.250 -11.283 10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 158 8.585 -11.636 12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 158 10.074 -11.803 11.683 1.00 0.00 H new ATOM 0 HG2 LYS A 158 10.800 -9.570 12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 158 9.263 -9.263 13.139 1.00 0.00 H new ATOM 0 HD2 LYS A 158 11.215 -11.456 13.947 1.00 0.00 H new ATOM 0 HD3 LYS A 158 11.072 -9.902 14.743 1.00 0.00 H new ATOM 0 HE2 LYS A 158 8.709 -10.393 15.312 1.00 0.00 H new ATOM 0 HE3 LYS A 158 8.815 -11.930 14.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 9.098 -12.198 16.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 10.528 -12.628 16.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 10.425 -11.138 16.850 1.00 0.00 H new ATOM 324 N GLU A 159 7.446 -8.379 10.683 1.00 0.00 N ATOM 325 CA GLU A 159 6.459 -7.391 11.077 1.00 0.00 C ATOM 326 C GLU A 159 5.220 -7.488 10.197 1.00 0.00 C ATOM 327 O GLU A 159 5.322 -7.590 8.972 1.00 0.00 O ATOM 328 CB GLU A 159 7.081 -5.998 10.983 1.00 0.00 C ATOM 329 CG GLU A 159 6.119 -4.857 11.259 1.00 0.00 C ATOM 330 CD GLU A 159 6.811 -3.515 11.208 1.00 0.00 C ATOM 331 OE1 GLU A 159 7.213 -3.092 10.105 1.00 0.00 O ATOM 332 OE2 GLU A 159 6.980 -2.889 12.277 1.00 0.00 O ATOM 0 H GLU A 159 8.095 -8.059 9.964 1.00 0.00 H new ATOM 0 HA GLU A 159 6.150 -7.579 12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 159 7.910 -5.936 11.688 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.501 -5.869 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.311 -4.878 10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 159 5.664 -4.994 12.240 1.00 0.00 H new ATOM 340 N PRO A 160 4.034 -7.484 10.821 1.00 0.00 N ATOM 341 CA PRO A 160 2.760 -7.524 10.102 1.00 0.00 C ATOM 342 C PRO A 160 2.540 -6.274 9.255 1.00 0.00 C ATOM 343 O PRO A 160 2.751 -5.147 9.712 1.00 0.00 O ATOM 344 CB PRO A 160 1.714 -7.600 11.219 1.00 0.00 C ATOM 345 CG PRO A 160 2.399 -7.068 12.428 1.00 0.00 C ATOM 346 CD PRO A 160 3.845 -7.444 12.280 1.00 0.00 C ATOM 0 HA PRO A 160 2.714 -8.360 9.404 1.00 0.00 H new ATOM 0 HB2 PRO A 160 0.832 -7.009 10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.378 -8.625 11.375 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.282 -5.987 12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 160 1.975 -7.495 13.337 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.502 -6.713 12.751 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.060 -8.408 12.741 1.00 0.00 H new ATOM 354 N PHE A 161 2.098 -6.495 8.019 1.00 0.00 N ATOM 355 CA PHE A 161 1.855 -5.418 7.060 1.00 0.00 C ATOM 356 C PHE A 161 0.843 -4.414 7.613 1.00 0.00 C ATOM 357 O PHE A 161 0.837 -3.243 7.232 1.00 0.00 O ATOM 358 CB PHE A 161 1.349 -6.017 5.741 1.00 0.00 C ATOM 359 CG PHE A 161 1.203 -5.027 4.616 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.274 -4.741 3.784 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.006 -4.390 4.386 1.00 0.00 C ATOM 362 CE1 PHE A 161 2.141 -3.839 2.744 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.145 -3.490 3.348 1.00 0.00 C ATOM 364 CZ PHE A 161 0.929 -3.213 2.527 1.00 0.00 C ATOM 0 H PHE A 161 1.898 -7.426 7.653 1.00 0.00 H new ATOM 0 HA PHE A 161 2.789 -4.886 6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 161 2.035 -6.804 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.383 -6.489 5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.224 -5.228 3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.850 -4.600 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.983 -3.625 2.103 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.094 -3.003 3.179 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.822 -2.508 1.716 1.00 0.00 H new ATOM 374 N ARG A 162 0.000 -4.883 8.524 1.00 0.00 N ATOM 375 CA ARG A 162 -1.012 -4.043 9.150 1.00 0.00 C ATOM 376 C ARG A 162 -0.356 -2.898 9.922 1.00 0.00 C ATOM 377 O ARG A 162 -0.688 -1.733 9.716 1.00 0.00 O ATOM 378 CB ARG A 162 -1.886 -4.902 10.077 1.00 0.00 C ATOM 379 CG ARG A 162 -3.129 -4.203 10.616 1.00 0.00 C ATOM 380 CD ARG A 162 -2.816 -3.294 11.792 1.00 0.00 C ATOM 381 NE ARG A 162 -4.021 -2.703 12.365 1.00 0.00 N ATOM 382 CZ ARG A 162 -4.333 -2.765 13.659 1.00 0.00 C ATOM 383 NH1 ARG A 162 -3.527 -3.397 14.508 1.00 0.00 N ATOM 384 NH2 ARG A 162 -5.451 -2.201 14.103 1.00 0.00 N ATOM 0 H ARG A 162 -0.002 -5.850 8.848 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.643 -3.603 8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.196 -5.796 9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -1.279 -5.234 10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.588 -3.617 9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -3.860 -4.951 10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.291 -3.863 12.560 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -2.143 -2.501 11.467 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.661 -2.214 11.739 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -2.670 -3.834 14.168 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.766 -3.444 15.499 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.072 -1.719 13.453 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -5.688 -2.250 15.094 1.00 0.00 H new ATOM 398 N ASP A 163 0.585 -3.235 10.794 1.00 0.00 N ATOM 399 CA ASP A 163 1.259 -2.231 11.617 1.00 0.00 C ATOM 400 C ASP A 163 2.195 -1.385 10.759 1.00 0.00 C ATOM 401 O ASP A 163 2.459 -0.219 11.062 1.00 0.00 O ATOM 402 CB ASP A 163 2.038 -2.893 12.755 1.00 0.00 C ATOM 403 CG ASP A 163 2.411 -1.906 13.847 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.628 -1.760 14.812 1.00 0.00 O ATOM 405 OD2 ASP A 163 3.484 -1.279 13.757 1.00 0.00 O ATOM 0 H ASP A 163 0.900 -4.192 10.952 1.00 0.00 H new ATOM 0 HA ASP A 163 0.499 -1.583 12.054 1.00 0.00 H new ATOM 0 HB2 ASP A 163 1.439 -3.696 13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.944 -3.349 12.355 1.00 0.00 H new ATOM 411 N TYR A 164 2.692 -1.988 9.684 1.00 0.00 N ATOM 412 CA TYR A 164 3.524 -1.286 8.718 1.00 0.00 C ATOM 413 C TYR A 164 2.753 -0.116 8.117 1.00 0.00 C ATOM 414 O TYR A 164 3.256 1.005 8.057 1.00 0.00 O ATOM 415 CB TYR A 164 3.979 -2.262 7.627 1.00 0.00 C ATOM 416 CG TYR A 164 4.430 -1.602 6.345 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.655 -0.949 6.259 1.00 0.00 C ATOM 418 CD2 TYR A 164 3.622 -1.631 5.217 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.059 -0.349 5.080 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.018 -1.036 4.040 1.00 0.00 C ATOM 421 CZ TYR A 164 5.235 -0.394 3.976 1.00 0.00 C ATOM 422 OH TYR A 164 5.628 0.197 2.802 1.00 0.00 O ATOM 0 H TYR A 164 2.530 -2.970 9.460 1.00 0.00 H new ATOM 0 HA TYR A 164 4.407 -0.888 9.218 1.00 0.00 H new ATOM 0 HB2 TYR A 164 4.797 -2.867 8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.158 -2.943 7.401 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.300 -0.910 7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 164 2.665 -2.129 5.263 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.014 0.152 5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 164 3.377 -1.073 3.171 1.00 0.00 H new ATOM 0 HH TYR A 164 5.494 1.166 2.863 1.00 0.00 H new ATOM 432 N VAL A 165 1.525 -0.384 7.690 1.00 0.00 N ATOM 433 CA VAL A 165 0.644 0.653 7.167 1.00 0.00 C ATOM 434 C VAL A 165 0.335 1.694 8.237 1.00 0.00 C ATOM 435 O VAL A 165 0.333 2.895 7.962 1.00 0.00 O ATOM 436 CB VAL A 165 -0.670 0.044 6.627 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.802 1.061 6.630 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.452 -0.491 5.223 1.00 0.00 C ATOM 0 H VAL A 165 1.114 -1.318 7.696 1.00 0.00 H new ATOM 0 HA VAL A 165 1.163 1.142 6.343 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.958 -0.774 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.709 0.597 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.977 1.408 7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.532 1.908 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -1.382 -0.919 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -0.137 0.322 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.320 -1.261 5.243 1.00 0.00 H new ATOM 448 N ASP A 166 0.100 1.222 9.455 1.00 0.00 N ATOM 449 CA ASP A 166 -0.233 2.094 10.577 1.00 0.00 C ATOM 450 C ASP A 166 0.794 3.213 10.747 1.00 0.00 C ATOM 451 O ASP A 166 0.435 4.371 10.978 1.00 0.00 O ATOM 452 CB ASP A 166 -0.346 1.276 11.866 1.00 0.00 C ATOM 453 CG ASP A 166 -0.491 2.144 13.098 1.00 0.00 C ATOM 454 OD1 ASP A 166 -1.575 2.725 13.302 1.00 0.00 O ATOM 455 OD2 ASP A 166 0.488 2.255 13.871 1.00 0.00 O ATOM 0 H ASP A 166 0.134 0.231 9.693 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.195 2.559 10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -1.205 0.608 11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.538 0.648 11.971 1.00 0.00 H new ATOM 461 N ARG A 167 2.071 2.871 10.621 1.00 0.00 N ATOM 462 CA ARG A 167 3.135 3.857 10.760 1.00 0.00 C ATOM 463 C ARG A 167 3.392 4.579 9.436 1.00 0.00 C ATOM 464 O ARG A 167 3.617 5.789 9.419 1.00 0.00 O ATOM 465 CB ARG A 167 4.421 3.195 11.277 1.00 0.00 C ATOM 466 CG ARG A 167 5.017 2.164 10.328 1.00 0.00 C ATOM 467 CD ARG A 167 6.179 1.424 10.967 1.00 0.00 C ATOM 468 NE ARG A 167 5.740 0.571 12.068 1.00 0.00 N ATOM 469 CZ ARG A 167 6.417 0.407 13.201 1.00 0.00 C ATOM 470 NH1 ARG A 167 7.543 1.077 13.412 1.00 0.00 N ATOM 471 NH2 ARG A 167 5.951 -0.408 14.133 1.00 0.00 N ATOM 0 H ARG A 167 2.393 1.924 10.424 1.00 0.00 H new ATOM 0 HA ARG A 167 2.813 4.600 11.490 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.164 3.970 11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.210 2.714 12.232 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.247 1.450 10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.356 2.659 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 167 6.681 0.816 10.214 1.00 0.00 H new ATOM 0 HD3 ARG A 167 6.910 2.144 11.334 1.00 0.00 H new ATOM 0 HE ARG A 167 4.858 0.069 11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 167 7.893 1.722 12.703 1.00 0.00 H new ATOM 0 HH12 ARG A 167 8.058 0.947 14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 167 5.075 -0.908 13.981 1.00 0.00 H new ATOM 0 HH22 ARG A 167 6.468 -0.536 15.003 1.00 0.00 H new ATOM 485 N PHE A 168 3.327 3.835 8.331 1.00 0.00 N ATOM 486 CA PHE A 168 3.558 4.392 6.999 1.00 0.00 C ATOM 487 C PHE A 168 2.583 5.533 6.733 1.00 0.00 C ATOM 488 O PHE A 168 2.982 6.626 6.337 1.00 0.00 O ATOM 489 CB PHE A 168 3.390 3.290 5.941 1.00 0.00 C ATOM 490 CG PHE A 168 3.736 3.696 4.528 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.888 4.512 3.795 1.00 0.00 C ATOM 492 CD2 PHE A 168 4.905 3.246 3.928 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.197 4.871 2.499 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.215 3.602 2.626 1.00 0.00 C ATOM 495 CZ PHE A 168 4.359 4.416 1.914 1.00 0.00 C ATOM 0 H PHE A 168 3.114 2.837 8.334 1.00 0.00 H new ATOM 0 HA PHE A 168 4.574 4.783 6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.014 2.442 6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.356 2.945 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.974 4.871 4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.580 2.611 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.527 5.510 1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.125 3.243 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.599 4.697 0.899 1.00 0.00 H new ATOM 505 N TYR A 169 1.305 5.268 6.978 1.00 0.00 N ATOM 506 CA TYR A 169 0.257 6.252 6.752 1.00 0.00 C ATOM 507 C TYR A 169 0.476 7.514 7.590 1.00 0.00 C ATOM 508 O TYR A 169 0.334 8.629 7.087 1.00 0.00 O ATOM 509 CB TYR A 169 -1.111 5.625 7.047 1.00 0.00 C ATOM 510 CG TYR A 169 -2.175 6.614 7.451 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.785 7.427 6.511 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.564 6.735 8.780 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.753 8.333 6.880 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.533 7.641 9.157 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.124 8.439 8.203 1.00 0.00 C ATOM 516 OH TYR A 169 -5.091 9.348 8.573 1.00 0.00 O ATOM 0 H TYR A 169 0.970 4.373 7.335 1.00 0.00 H new ATOM 0 HA TYR A 169 0.291 6.556 5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.449 5.087 6.161 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.996 4.889 7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.497 7.349 5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.100 6.110 9.529 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.221 8.959 6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -3.826 7.724 10.193 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.236 9.295 9.541 1.00 0.00 H new ATOM 526 N LYS A 170 0.832 7.341 8.861 1.00 0.00 N ATOM 527 CA LYS A 170 1.032 8.484 9.748 1.00 0.00 C ATOM 528 C LYS A 170 2.225 9.322 9.304 1.00 0.00 C ATOM 529 O LYS A 170 2.133 10.549 9.237 1.00 0.00 O ATOM 530 CB LYS A 170 1.206 8.041 11.206 1.00 0.00 C ATOM 531 CG LYS A 170 -0.096 7.620 11.871 1.00 0.00 C ATOM 532 CD LYS A 170 0.040 7.558 13.388 1.00 0.00 C ATOM 533 CE LYS A 170 0.839 6.345 13.847 1.00 0.00 C ATOM 534 NZ LYS A 170 0.111 5.073 13.588 1.00 0.00 N ATOM 0 H LYS A 170 0.986 6.431 9.296 1.00 0.00 H new ATOM 0 HA LYS A 170 0.135 9.100 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 170 1.910 7.209 11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.648 8.858 11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -0.885 8.324 11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -0.399 6.644 11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 170 0.526 8.466 13.745 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -0.952 7.529 13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.799 6.326 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 170 1.051 6.432 14.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 0.664 4.275 13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -0.816 5.101 14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -0.025 4.953 12.564 1.00 0.00 H new ATOM 548 N THR A 171 3.334 8.665 8.993 1.00 0.00 N ATOM 549 CA THR A 171 4.518 9.368 8.521 1.00 0.00 C ATOM 550 C THR A 171 4.232 10.073 7.196 1.00 0.00 C ATOM 551 O THR A 171 4.571 11.240 7.019 1.00 0.00 O ATOM 552 CB THR A 171 5.711 8.404 8.356 1.00 0.00 C ATOM 553 OG1 THR A 171 5.992 7.760 9.607 1.00 0.00 O ATOM 554 CG2 THR A 171 6.950 9.142 7.874 1.00 0.00 C ATOM 0 H THR A 171 3.438 7.652 9.059 1.00 0.00 H new ATOM 0 HA THR A 171 4.780 10.114 9.271 1.00 0.00 H new ATOM 0 HB THR A 171 5.443 7.657 7.609 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.328 7.058 9.770 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.775 8.437 7.767 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.744 9.609 6.911 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.221 9.910 8.599 1.00 0.00 H new ATOM 562 N LEU A 172 3.569 9.369 6.289 1.00 0.00 N ATOM 563 CA LEU A 172 3.231 9.919 4.982 1.00 0.00 C ATOM 564 C LEU A 172 2.308 11.127 5.119 1.00 0.00 C ATOM 565 O LEU A 172 2.417 12.100 4.368 1.00 0.00 O ATOM 566 CB LEU A 172 2.565 8.845 4.130 1.00 0.00 C ATOM 567 CG LEU A 172 2.182 9.273 2.718 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.413 9.683 1.922 1.00 0.00 C ATOM 569 CD2 LEU A 172 1.450 8.146 2.021 1.00 0.00 C ATOM 0 H LEU A 172 3.253 8.410 6.435 1.00 0.00 H new ATOM 0 HA LEU A 172 4.150 10.249 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 172 3.238 7.990 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.667 8.503 4.644 1.00 0.00 H new ATOM 0 HG LEU A 172 1.522 10.138 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.114 9.984 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 172 3.906 10.518 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.102 8.841 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 172 1.179 8.457 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.096 7.270 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 172 0.547 7.898 2.579 1.00 0.00 H new ATOM 581 N ARG A 173 1.393 11.057 6.075 1.00 0.00 N ATOM 582 CA ARG A 173 0.512 12.171 6.374 1.00 0.00 C ATOM 583 C ARG A 173 1.331 13.390 6.795 1.00 0.00 C ATOM 584 O ARG A 173 1.020 14.519 6.418 1.00 0.00 O ATOM 585 CB ARG A 173 -0.471 11.773 7.477 1.00 0.00 C ATOM 586 CG ARG A 173 -1.587 12.777 7.696 1.00 0.00 C ATOM 587 CD ARG A 173 -2.610 12.258 8.692 1.00 0.00 C ATOM 588 NE ARG A 173 -3.763 13.150 8.806 1.00 0.00 N ATOM 589 CZ ARG A 173 -4.672 13.079 9.773 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.535 12.210 10.768 1.00 0.00 N ATOM 591 NH2 ARG A 173 -5.713 13.900 9.756 1.00 0.00 N ATOM 0 H ARG A 173 1.243 10.234 6.659 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.054 12.431 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -0.909 10.806 7.229 1.00 0.00 H new ATOM 0 HB3 ARG A 173 0.077 11.645 8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.168 13.716 8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -2.077 12.992 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -2.946 11.268 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.140 12.145 9.669 1.00 0.00 H new ATOM 0 HE ARG A 173 -3.877 13.874 8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -3.726 11.589 10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -5.238 12.164 11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.813 14.581 9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.414 13.850 10.495 1.00 0.00 H new ATOM 605 N ALA A 174 2.412 13.139 7.526 1.00 0.00 N ATOM 606 CA ALA A 174 3.259 14.206 8.043 1.00 0.00 C ATOM 607 C ALA A 174 4.297 14.664 7.017 1.00 0.00 C ATOM 608 O ALA A 174 4.833 15.770 7.128 1.00 0.00 O ATOM 609 CB ALA A 174 3.947 13.753 9.322 1.00 0.00 C ATOM 0 H ALA A 174 2.723 12.200 7.774 1.00 0.00 H new ATOM 0 HA ALA A 174 2.617 15.060 8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.578 14.557 9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.195 13.499 10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.562 12.877 9.114 1.00 0.00 H new ATOM 615 N GLU A 175 4.586 13.811 6.030 1.00 0.00 N ATOM 616 CA GLU A 175 5.545 14.141 4.972 1.00 0.00 C ATOM 617 C GLU A 175 5.195 15.466 4.301 1.00 0.00 C ATOM 618 O GLU A 175 4.022 15.830 4.180 1.00 0.00 O ATOM 619 CB GLU A 175 5.596 13.037 3.911 1.00 0.00 C ATOM 620 CG GLU A 175 6.284 11.761 4.366 1.00 0.00 C ATOM 621 CD GLU A 175 7.725 11.984 4.780 1.00 0.00 C ATOM 622 OE1 GLU A 175 8.127 11.475 5.848 1.00 0.00 O ATOM 623 OE2 GLU A 175 8.461 12.673 4.036 1.00 0.00 O ATOM 0 H GLU A 175 4.168 12.885 5.942 1.00 0.00 H new ATOM 0 HA GLU A 175 6.523 14.230 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.578 12.797 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 175 6.112 13.420 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.732 11.335 5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 175 6.252 11.029 3.559 1.00 0.00 H new ATOM 631 N GLN A 176 6.218 16.176 3.858 1.00 0.00 N ATOM 632 CA GLN A 176 6.035 17.475 3.231 1.00 0.00 C ATOM 633 C GLN A 176 5.918 17.326 1.718 1.00 0.00 C ATOM 634 O GLN A 176 6.921 17.346 1.000 1.00 0.00 O ATOM 635 CB GLN A 176 7.199 18.398 3.592 1.00 0.00 C ATOM 636 CG GLN A 176 7.009 19.834 3.137 1.00 0.00 C ATOM 637 CD GLN A 176 8.155 20.724 3.563 1.00 0.00 C ATOM 638 OE1 GLN A 176 9.137 20.889 2.835 1.00 0.00 O ATOM 639 NE2 GLN A 176 8.046 21.296 4.750 1.00 0.00 N ATOM 0 H GLN A 176 7.190 15.873 3.921 1.00 0.00 H new ATOM 0 HA GLN A 176 5.110 17.917 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 176 7.338 18.385 4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 176 8.113 18.004 3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 176 6.915 19.860 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 176 6.077 20.223 3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 176 7.216 21.133 5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 176 8.792 21.900 5.095 1.00 0.00 H new ATOM 648 N ALA A 177 4.688 17.159 1.252 1.00 0.00 N ATOM 649 CA ALA A 177 4.398 16.996 -0.166 1.00 0.00 C ATOM 650 C ALA A 177 2.915 17.216 -0.413 1.00 0.00 C ATOM 651 O ALA A 177 2.113 17.167 0.524 1.00 0.00 O ATOM 652 CB ALA A 177 4.807 15.606 -0.650 1.00 0.00 C ATOM 0 H ALA A 177 3.861 17.133 1.848 1.00 0.00 H new ATOM 0 HA ALA A 177 4.973 17.734 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.580 15.509 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.877 15.466 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.256 14.849 -0.091 1.00 0.00 H new ATOM 658 N SER A 178 2.551 17.455 -1.665 1.00 0.00 N ATOM 659 CA SER A 178 1.154 17.601 -2.033 1.00 0.00 C ATOM 660 C SER A 178 0.467 16.241 -1.995 1.00 0.00 C ATOM 661 O SER A 178 1.137 15.212 -2.085 1.00 0.00 O ATOM 662 CB SER A 178 1.024 18.221 -3.428 1.00 0.00 C ATOM 663 OG SER A 178 -0.327 18.509 -3.743 1.00 0.00 O ATOM 0 H SER A 178 3.205 17.552 -2.441 1.00 0.00 H new ATOM 0 HA SER A 178 0.671 18.267 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.614 19.137 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 178 1.434 17.537 -4.171 1.00 0.00 H new ATOM 0 HG SER A 178 -0.377 18.905 -4.638 1.00 0.00 H new ATOM 669 N GLN A 179 -0.849 16.222 -1.863 1.00 0.00 N ATOM 670 CA GLN A 179 -1.573 14.961 -1.760 1.00 0.00 C ATOM 671 C GLN A 179 -1.298 14.065 -2.966 1.00 0.00 C ATOM 672 O GLN A 179 -1.017 12.879 -2.810 1.00 0.00 O ATOM 673 CB GLN A 179 -3.075 15.207 -1.611 1.00 0.00 C ATOM 674 CG GLN A 179 -3.452 15.872 -0.297 1.00 0.00 C ATOM 675 CD GLN A 179 -4.951 16.016 -0.116 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.460 15.979 1.007 1.00 0.00 O ATOM 677 NE2 GLN A 179 -5.669 16.191 -1.213 1.00 0.00 N ATOM 0 H GLN A 179 -1.435 17.056 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 179 -1.216 14.447 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.417 15.831 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.601 14.256 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.046 15.288 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -2.989 16.858 -0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.211 16.216 -2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -6.681 16.301 -1.148 1.00 0.00 H new ATOM 686 N GLU A 180 -1.319 14.652 -4.157 1.00 0.00 N ATOM 687 CA GLU A 180 -1.166 13.889 -5.396 1.00 0.00 C ATOM 688 C GLU A 180 0.179 13.171 -5.448 1.00 0.00 C ATOM 689 O GLU A 180 0.233 11.978 -5.753 1.00 0.00 O ATOM 690 CB GLU A 180 -1.310 14.810 -6.604 1.00 0.00 C ATOM 691 CG GLU A 180 -2.632 15.552 -6.648 1.00 0.00 C ATOM 692 CD GLU A 180 -2.754 16.440 -7.865 1.00 0.00 C ATOM 693 OE1 GLU A 180 -3.195 15.948 -8.922 1.00 0.00 O ATOM 694 OE2 GLU A 180 -2.422 17.637 -7.768 1.00 0.00 O ATOM 0 H GLU A 180 -1.441 15.655 -4.294 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.953 13.135 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -0.496 15.535 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.203 14.220 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.450 14.832 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -2.736 16.158 -5.748 1.00 0.00 H new ATOM 702 N VAL A 181 1.260 13.885 -5.143 1.00 0.00 N ATOM 703 CA VAL A 181 2.583 13.272 -5.136 1.00 0.00 C ATOM 704 C VAL A 181 2.647 12.198 -4.052 1.00 0.00 C ATOM 705 O VAL A 181 3.316 11.178 -4.214 1.00 0.00 O ATOM 706 CB VAL A 181 3.721 14.302 -4.912 1.00 0.00 C ATOM 707 CG1 VAL A 181 3.749 14.794 -3.490 1.00 0.00 C ATOM 708 CG2 VAL A 181 5.069 13.715 -5.305 1.00 0.00 C ATOM 0 H VAL A 181 1.246 14.876 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 181 2.736 12.830 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 181 3.519 15.159 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 181 4.559 15.514 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 181 2.799 15.273 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 181 3.909 13.952 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 181 5.851 14.456 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 181 5.272 12.832 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 181 5.051 13.436 -6.359 1.00 0.00 H new ATOM 718 N LYS A 182 1.921 12.426 -2.959 1.00 0.00 N ATOM 719 CA LYS A 182 1.874 11.468 -1.872 1.00 0.00 C ATOM 720 C LYS A 182 1.208 10.177 -2.326 1.00 0.00 C ATOM 721 O LYS A 182 1.612 9.095 -1.915 1.00 0.00 O ATOM 722 CB LYS A 182 1.142 12.034 -0.652 1.00 0.00 C ATOM 723 CG LYS A 182 1.921 13.113 0.078 1.00 0.00 C ATOM 724 CD LYS A 182 1.279 13.461 1.409 1.00 0.00 C ATOM 725 CE LYS A 182 2.101 14.490 2.162 1.00 0.00 C ATOM 726 NZ LYS A 182 1.618 14.689 3.552 1.00 0.00 N ATOM 0 H LYS A 182 1.361 13.265 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 182 2.902 11.256 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.183 12.443 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 182 0.927 11.221 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 182 2.944 12.775 0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 182 1.977 14.006 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 182 0.274 13.847 1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 182 1.177 12.560 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 182 3.144 14.173 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 182 2.067 15.440 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 2.295 15.281 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.690 15.159 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.530 13.767 4.024 1.00 0.00 H new ATOM 740 N ASN A 183 0.190 10.285 -3.177 1.00 0.00 N ATOM 741 CA ASN A 183 -0.449 9.094 -3.727 1.00 0.00 C ATOM 742 C ASN A 183 0.480 8.410 -4.713 1.00 0.00 C ATOM 743 O ASN A 183 0.817 7.243 -4.547 1.00 0.00 O ATOM 744 CB ASN A 183 -1.764 9.404 -4.456 1.00 0.00 C ATOM 745 CG ASN A 183 -2.841 9.993 -3.575 1.00 0.00 C ATOM 746 OD1 ASN A 183 -3.542 9.267 -2.885 1.00 0.00 O ATOM 747 ND2 ASN A 183 -3.018 11.298 -3.631 1.00 0.00 N ATOM 0 H ASN A 183 -0.204 11.170 -3.496 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.669 8.449 -2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.559 10.098 -5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -2.141 8.486 -4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.761 11.736 -3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -2.412 11.870 -4.219 1.00 0.00 H new ATOM 754 N ALA A 184 0.923 9.176 -5.708 1.00 0.00 N ATOM 755 CA ALA A 184 1.677 8.636 -6.834 1.00 0.00 C ATOM 756 C ALA A 184 2.939 7.922 -6.376 1.00 0.00 C ATOM 757 O ALA A 184 3.261 6.836 -6.863 1.00 0.00 O ATOM 758 CB ALA A 184 2.024 9.750 -7.807 1.00 0.00 C ATOM 0 H ALA A 184 0.770 10.183 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 184 1.049 7.900 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.587 9.339 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.107 10.209 -8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 184 2.627 10.502 -7.299 1.00 0.00 H new ATOM 764 N ALA A 185 3.651 8.531 -5.443 1.00 0.00 N ATOM 765 CA ALA A 185 4.855 7.926 -4.901 1.00 0.00 C ATOM 766 C ALA A 185 4.511 6.670 -4.110 1.00 0.00 C ATOM 767 O ALA A 185 5.075 5.604 -4.347 1.00 0.00 O ATOM 768 CB ALA A 185 5.599 8.921 -4.025 1.00 0.00 C ATOM 0 H ALA A 185 3.417 9.441 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 185 5.504 7.643 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.499 8.453 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.876 9.792 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.956 9.232 -3.201 1.00 0.00 H new ATOM 774 N THR A 186 3.550 6.799 -3.207 1.00 0.00 N ATOM 775 CA THR A 186 3.181 5.722 -2.297 1.00 0.00 C ATOM 776 C THR A 186 2.661 4.491 -3.030 1.00 0.00 C ATOM 777 O THR A 186 3.017 3.372 -2.671 1.00 0.00 O ATOM 778 CB THR A 186 2.139 6.213 -1.287 1.00 0.00 C ATOM 779 OG1 THR A 186 2.732 7.224 -0.473 1.00 0.00 O ATOM 780 CG2 THR A 186 1.612 5.086 -0.415 1.00 0.00 C ATOM 0 H THR A 186 3.004 7.652 -3.084 1.00 0.00 H new ATOM 0 HA THR A 186 4.088 5.425 -1.770 1.00 0.00 H new ATOM 0 HB THR A 186 1.289 6.615 -1.838 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.659 8.091 -0.923 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.876 5.481 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.144 4.328 -1.043 1.00 0.00 H new ATOM 0 HG23 THR A 186 2.437 4.639 0.140 1.00 0.00 H new ATOM 788 N GLU A 187 1.844 4.696 -4.062 1.00 0.00 N ATOM 789 CA GLU A 187 1.353 3.587 -4.879 1.00 0.00 C ATOM 790 C GLU A 187 2.513 2.693 -5.289 1.00 0.00 C ATOM 791 O GLU A 187 2.397 1.467 -5.355 1.00 0.00 O ATOM 792 CB GLU A 187 0.669 4.109 -6.141 1.00 0.00 C ATOM 793 CG GLU A 187 -0.554 4.979 -5.886 1.00 0.00 C ATOM 794 CD GLU A 187 -1.314 5.283 -7.161 1.00 0.00 C ATOM 795 OE1 GLU A 187 -2.097 4.419 -7.608 1.00 0.00 O ATOM 796 OE2 GLU A 187 -1.124 6.381 -7.725 1.00 0.00 O ATOM 0 H GLU A 187 1.509 5.615 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 187 0.634 3.021 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 187 1.393 4.683 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 187 0.372 3.259 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -1.216 4.475 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 187 -0.243 5.913 -5.419 1.00 0.00 H new ATOM 804 N THR A 188 3.633 3.339 -5.535 1.00 0.00 N ATOM 805 CA THR A 188 4.829 2.695 -6.000 1.00 0.00 C ATOM 806 C THR A 188 5.664 2.132 -4.846 1.00 0.00 C ATOM 807 O THR A 188 5.914 0.925 -4.767 1.00 0.00 O ATOM 808 CB THR A 188 5.665 3.729 -6.755 1.00 0.00 C ATOM 809 OG1 THR A 188 4.796 4.583 -7.518 1.00 0.00 O ATOM 810 CG2 THR A 188 6.636 3.052 -7.687 1.00 0.00 C ATOM 0 H THR A 188 3.733 4.347 -5.413 1.00 0.00 H new ATOM 0 HA THR A 188 4.544 1.862 -6.642 1.00 0.00 H new ATOM 0 HB THR A 188 6.226 4.318 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 188 4.494 5.328 -6.957 1.00 0.00 H new ATOM 0 HG21 THR A 188 7.221 3.806 -8.214 1.00 0.00 H new ATOM 0 HG22 THR A 188 7.305 2.411 -7.113 1.00 0.00 H new ATOM 0 HG23 THR A 188 6.086 2.449 -8.410 1.00 0.00 H new ATOM 818 N LEU A 189 6.074 3.015 -3.941 1.00 0.00 N ATOM 819 CA LEU A 189 7.075 2.672 -2.941 1.00 0.00 C ATOM 820 C LEU A 189 6.500 1.922 -1.734 1.00 0.00 C ATOM 821 O LEU A 189 7.256 1.360 -0.950 1.00 0.00 O ATOM 822 CB LEU A 189 7.869 3.921 -2.521 1.00 0.00 C ATOM 823 CG LEU A 189 7.042 5.168 -2.234 1.00 0.00 C ATOM 824 CD1 LEU A 189 6.208 4.953 -1.002 1.00 0.00 C ATOM 825 CD2 LEU A 189 7.927 6.392 -2.081 1.00 0.00 C ATOM 0 H LEU A 189 5.728 3.973 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 189 7.763 1.969 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 189 8.447 3.678 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 189 8.584 4.156 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 189 6.381 5.348 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 189 5.619 5.848 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 189 5.540 4.106 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 189 6.860 4.750 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 189 7.308 7.266 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 189 8.621 6.238 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 189 8.489 6.552 -3.001 1.00 0.00 H new ATOM 837 N LEU A 190 5.179 1.911 -1.580 1.00 0.00 N ATOM 838 CA LEU A 190 4.537 1.067 -0.570 1.00 0.00 C ATOM 839 C LEU A 190 4.956 -0.388 -0.771 1.00 0.00 C ATOM 840 O LEU A 190 5.285 -1.096 0.177 1.00 0.00 O ATOM 841 CB LEU A 190 3.011 1.184 -0.668 1.00 0.00 C ATOM 842 CG LEU A 190 2.215 0.426 0.400 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.423 1.050 1.768 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.735 0.405 0.049 1.00 0.00 C ATOM 0 H LEU A 190 4.534 2.472 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 190 4.852 1.402 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.742 2.239 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.700 0.825 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 190 2.579 -0.601 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.849 0.497 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.481 1.015 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.088 2.087 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.186 -0.138 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.361 1.427 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.596 -0.090 -0.912 1.00 0.00 H new ATOM 856 N VAL A 191 4.960 -0.811 -2.030 1.00 0.00 N ATOM 857 CA VAL A 191 5.364 -2.164 -2.387 1.00 0.00 C ATOM 858 C VAL A 191 6.879 -2.314 -2.249 1.00 0.00 C ATOM 859 O VAL A 191 7.378 -3.357 -1.840 1.00 0.00 O ATOM 860 CB VAL A 191 4.936 -2.497 -3.835 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.233 -3.947 -4.180 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.458 -2.192 -4.041 1.00 0.00 C ATOM 0 H VAL A 191 4.686 -0.232 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 191 4.870 -2.859 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 191 5.519 -1.867 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.920 -4.149 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.303 -4.132 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.689 -4.602 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.176 -2.433 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.863 -2.791 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.275 -1.134 -3.854 1.00 0.00 H new ATOM 872 N GLN A 192 7.592 -1.243 -2.578 1.00 0.00 N ATOM 873 CA GLN A 192 9.045 -1.205 -2.507 1.00 0.00 C ATOM 874 C GLN A 192 9.542 -1.345 -1.068 1.00 0.00 C ATOM 875 O GLN A 192 10.496 -2.075 -0.798 1.00 0.00 O ATOM 876 CB GLN A 192 9.514 0.120 -3.100 1.00 0.00 C ATOM 877 CG GLN A 192 10.956 0.465 -2.806 1.00 0.00 C ATOM 878 CD GLN A 192 11.293 1.883 -3.220 1.00 0.00 C ATOM 879 OE1 GLN A 192 11.740 2.126 -4.343 1.00 0.00 O ATOM 880 NE2 GLN A 192 11.045 2.832 -2.325 1.00 0.00 N ATOM 0 H GLN A 192 7.174 -0.372 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 192 9.454 -2.044 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.374 0.089 -4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 192 8.878 0.919 -2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.149 0.342 -1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.610 -0.232 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 192 10.675 2.584 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.224 3.809 -2.555 1.00 0.00 H new ATOM 889 N ASN A 193 8.888 -0.641 -0.155 1.00 0.00 N ATOM 890 CA ASN A 193 9.271 -0.651 1.253 1.00 0.00 C ATOM 891 C ASN A 193 8.789 -1.920 1.943 1.00 0.00 C ATOM 892 O ASN A 193 9.065 -2.147 3.124 1.00 0.00 O ATOM 893 CB ASN A 193 8.712 0.581 1.966 1.00 0.00 C ATOM 894 CG ASN A 193 9.468 1.853 1.632 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.055 1.988 0.555 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.458 2.797 2.557 1.00 0.00 N ATOM 0 H ASN A 193 8.083 -0.051 -0.365 1.00 0.00 H new ATOM 0 HA ASN A 193 10.359 -0.627 1.305 1.00 0.00 H new ATOM 0 HB2 ASN A 193 7.664 0.706 1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 193 8.746 0.417 3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.948 3.677 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.961 2.646 3.435 1.00 0.00 H new ATOM 903 N ALA A 194 8.053 -2.736 1.204 1.00 0.00 N ATOM 904 CA ALA A 194 7.623 -4.028 1.694 1.00 0.00 C ATOM 905 C ALA A 194 8.674 -5.074 1.356 1.00 0.00 C ATOM 906 O ALA A 194 9.253 -5.058 0.269 1.00 0.00 O ATOM 907 CB ALA A 194 6.277 -4.404 1.094 1.00 0.00 C ATOM 0 H ALA A 194 7.742 -2.520 0.257 1.00 0.00 H new ATOM 0 HA ALA A 194 7.506 -3.980 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 194 5.969 -5.378 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.534 -3.656 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.362 -4.448 0.008 1.00 0.00 H new ATOM 913 N ASN A 195 8.920 -5.970 2.296 1.00 0.00 N ATOM 914 CA ASN A 195 9.944 -6.999 2.138 1.00 0.00 C ATOM 915 C ASN A 195 9.602 -7.940 0.989 1.00 0.00 C ATOM 916 O ASN A 195 8.430 -8.206 0.743 1.00 0.00 O ATOM 917 CB ASN A 195 10.112 -7.769 3.441 1.00 0.00 C ATOM 918 CG ASN A 195 10.817 -6.933 4.485 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.753 -6.189 4.183 1.00 0.00 O ATOM 920 ND2 ASN A 195 10.352 -7.018 5.713 1.00 0.00 N ATOM 0 H ASN A 195 8.422 -6.009 3.185 1.00 0.00 H new ATOM 0 HA ASN A 195 10.889 -6.514 1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 195 9.134 -8.073 3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.681 -8.680 3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 195 10.768 -6.456 6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 195 9.576 -7.646 5.922 1.00 0.00 H new ATOM 927 N PRO A 196 10.626 -8.449 0.276 1.00 0.00 N ATOM 928 CA PRO A 196 10.454 -9.192 -0.984 1.00 0.00 C ATOM 929 C PRO A 196 9.366 -10.255 -0.908 1.00 0.00 C ATOM 930 O PRO A 196 8.601 -10.435 -1.855 1.00 0.00 O ATOM 931 CB PRO A 196 11.824 -9.842 -1.224 1.00 0.00 C ATOM 932 CG PRO A 196 12.625 -9.581 0.011 1.00 0.00 C ATOM 933 CD PRO A 196 12.040 -8.355 0.642 1.00 0.00 C ATOM 0 HA PRO A 196 10.137 -8.529 -1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.722 -10.912 -1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.310 -9.416 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.576 -10.430 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.676 -9.429 -0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.179 -8.350 1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.498 -7.444 0.258 1.00 0.00 H new ATOM 941 N ASP A 197 9.298 -10.940 0.224 1.00 0.00 N ATOM 942 CA ASP A 197 8.288 -11.975 0.444 1.00 0.00 C ATOM 943 C ASP A 197 6.884 -11.403 0.288 1.00 0.00 C ATOM 944 O ASP A 197 6.083 -11.900 -0.501 1.00 0.00 O ATOM 945 CB ASP A 197 8.445 -12.590 1.835 1.00 0.00 C ATOM 946 CG ASP A 197 7.416 -13.667 2.109 1.00 0.00 C ATOM 947 OD1 ASP A 197 6.562 -13.475 3.004 1.00 0.00 O ATOM 948 OD2 ASP A 197 7.450 -14.714 1.429 1.00 0.00 O ATOM 0 H ASP A 197 9.932 -10.800 1.011 1.00 0.00 H new ATOM 0 HA ASP A 197 8.434 -12.752 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 197 9.445 -13.013 1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 197 8.357 -11.807 2.588 1.00 0.00 H new ATOM 954 N CYS A 198 6.611 -10.330 1.017 1.00 0.00 N ATOM 955 CA CYS A 198 5.318 -9.666 0.949 1.00 0.00 C ATOM 956 C CYS A 198 5.142 -8.988 -0.408 1.00 0.00 C ATOM 957 O CYS A 198 4.059 -9.014 -0.989 1.00 0.00 O ATOM 958 CB CYS A 198 5.200 -8.637 2.075 1.00 0.00 C ATOM 959 SG CYS A 198 5.540 -9.304 3.722 1.00 0.00 S ATOM 0 H CYS A 198 7.271 -9.900 1.665 1.00 0.00 H new ATOM 0 HA CYS A 198 4.532 -10.412 1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 198 5.890 -7.817 1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 198 4.194 -8.217 2.065 1.00 0.00 H new ATOM 0 HG CYS A 198 6.399 -8.541 4.330 1.00 0.00 H new ATOM 965 N LYS A 199 6.228 -8.407 -0.911 1.00 0.00 N ATOM 966 CA LYS A 199 6.226 -7.725 -2.203 1.00 0.00 C ATOM 967 C LYS A 199 5.845 -8.681 -3.336 1.00 0.00 C ATOM 968 O LYS A 199 5.186 -8.286 -4.300 1.00 0.00 O ATOM 969 CB LYS A 199 7.603 -7.092 -2.450 1.00 0.00 C ATOM 970 CG LYS A 199 7.776 -6.478 -3.832 1.00 0.00 C ATOM 971 CD LYS A 199 8.717 -5.280 -3.799 1.00 0.00 C ATOM 972 CE LYS A 199 10.087 -5.631 -3.236 1.00 0.00 C ATOM 973 NZ LYS A 199 10.909 -6.410 -4.198 1.00 0.00 N ATOM 0 H LYS A 199 7.131 -8.395 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 199 5.473 -6.937 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.774 -6.320 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.370 -7.853 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 199 8.166 -7.229 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.805 -6.168 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 199 8.833 -4.885 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 199 8.272 -4.489 -3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 199 10.614 -4.715 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.964 -6.206 -2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.832 -6.626 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 10.420 -7.298 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.050 -5.853 -5.065 1.00 0.00 H new ATOM 987 N THR A 200 6.243 -9.941 -3.206 1.00 0.00 N ATOM 988 CA THR A 200 5.869 -10.967 -4.169 1.00 0.00 C ATOM 989 C THR A 200 4.354 -11.172 -4.165 1.00 0.00 C ATOM 990 O THR A 200 3.726 -11.321 -5.216 1.00 0.00 O ATOM 991 CB THR A 200 6.579 -12.300 -3.849 1.00 0.00 C ATOM 992 OG1 THR A 200 8.001 -12.103 -3.867 1.00 0.00 O ATOM 993 CG2 THR A 200 6.197 -13.385 -4.847 1.00 0.00 C ATOM 0 H THR A 200 6.827 -10.277 -2.440 1.00 0.00 H new ATOM 0 HA THR A 200 6.181 -10.634 -5.159 1.00 0.00 H new ATOM 0 HB THR A 200 6.262 -12.626 -2.858 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.256 -11.494 -3.143 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.714 -14.311 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 200 5.120 -13.549 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A 200 6.483 -13.073 -5.851 1.00 0.00 H new ATOM 1001 N ILE A 201 3.777 -11.137 -2.974 1.00 0.00 N ATOM 1002 CA ILE A 201 2.344 -11.321 -2.803 1.00 0.00 C ATOM 1003 C ILE A 201 1.572 -10.098 -3.302 1.00 0.00 C ATOM 1004 O ILE A 201 0.515 -10.224 -3.919 1.00 0.00 O ATOM 1005 CB ILE A 201 2.000 -11.578 -1.321 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.762 -12.803 -0.803 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.501 -11.763 -1.142 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.556 -13.070 0.674 1.00 0.00 C ATOM 0 H ILE A 201 4.285 -10.981 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 201 2.050 -12.189 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 201 2.306 -10.709 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.449 -13.680 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.826 -12.665 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.280 -11.943 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.019 -10.864 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.166 -12.615 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.126 -13.952 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.896 -12.210 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.497 -13.241 0.869 1.00 0.00 H new ATOM 1020 N LEU A 202 2.119 -8.914 -3.042 1.00 0.00 N ATOM 1021 CA LEU A 202 1.484 -7.657 -3.437 1.00 0.00 C ATOM 1022 C LEU A 202 1.288 -7.589 -4.948 1.00 0.00 C ATOM 1023 O LEU A 202 0.312 -7.012 -5.435 1.00 0.00 O ATOM 1024 CB LEU A 202 2.329 -6.470 -2.969 1.00 0.00 C ATOM 1025 CG LEU A 202 2.603 -6.426 -1.465 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.444 -5.212 -1.105 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.300 -6.419 -0.683 1.00 0.00 C ATOM 0 H LEU A 202 3.008 -8.797 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 202 0.504 -7.612 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.283 -6.492 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.825 -5.548 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 202 3.162 -7.322 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.626 -5.201 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.396 -5.259 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.914 -4.304 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.517 -6.388 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.714 -5.543 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.733 -7.322 -0.912 1.00 0.00 H new ATOM 1039 N LYS A 203 2.217 -8.188 -5.682 1.00 0.00 N ATOM 1040 CA LYS A 203 2.144 -8.221 -7.138 1.00 0.00 C ATOM 1041 C LYS A 203 0.976 -9.082 -7.614 1.00 0.00 C ATOM 1042 O LYS A 203 0.446 -8.875 -8.708 1.00 0.00 O ATOM 1043 CB LYS A 203 3.453 -8.736 -7.729 1.00 0.00 C ATOM 1044 CG LYS A 203 4.622 -7.786 -7.533 1.00 0.00 C ATOM 1045 CD LYS A 203 5.881 -8.306 -8.205 1.00 0.00 C ATOM 1046 CE LYS A 203 6.382 -9.585 -7.555 1.00 0.00 C ATOM 1047 NZ LYS A 203 7.578 -10.122 -8.251 1.00 0.00 N ATOM 0 H LYS A 203 3.033 -8.659 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 203 1.978 -7.201 -7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.695 -9.696 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.315 -8.915 -8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.369 -6.807 -7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 203 4.807 -7.650 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 203 5.680 -8.490 -9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 203 6.660 -7.545 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 203 6.625 -9.391 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 203 5.589 -10.333 -7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.891 -10.994 -7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.339 -10.330 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 8.343 -9.418 -8.220 1.00 0.00 H new ATOM 1061 N ALA A 204 0.582 -10.048 -6.790 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.530 -10.929 -7.124 1.00 0.00 C ATOM 1063 C ALA A 204 -1.851 -10.166 -7.090 1.00 0.00 C ATOM 1064 O ALA A 204 -2.797 -10.521 -7.795 1.00 0.00 O ATOM 1065 CB ALA A 204 -0.573 -12.121 -6.180 1.00 0.00 C ATOM 0 H ALA A 204 1.016 -10.240 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.378 -11.302 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -1.410 -12.766 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.358 -12.683 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 204 -0.697 -11.770 -5.156 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.910 -9.125 -6.262 1.00 0.00 N ATOM 1072 CA LEU A 205 -3.074 -8.245 -6.226 1.00 0.00 C ATOM 1073 C LEU A 205 -3.105 -7.354 -7.461 1.00 0.00 C ATOM 1074 O LEU A 205 -4.107 -7.285 -8.175 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.070 -7.350 -4.979 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.571 -7.970 -3.670 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -4.831 -8.781 -3.898 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -2.498 -8.807 -3.004 1.00 0.00 C ATOM 0 H LEU A 205 -1.168 -8.872 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.956 -8.885 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.051 -6.999 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.679 -6.472 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 205 -3.815 -7.151 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -5.164 -9.209 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -5.612 -8.135 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -4.624 -9.583 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -2.889 -9.231 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -2.197 -9.613 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -1.635 -8.180 -2.780 1.00 0.00 H new ATOM 1090 N GLY A 206 -1.995 -6.670 -7.703 1.00 0.00 N ATOM 1091 CA GLY A 206 -1.921 -5.739 -8.804 1.00 0.00 C ATOM 1092 C GLY A 206 -2.430 -4.361 -8.416 1.00 0.00 C ATOM 1093 O GLY A 206 -2.709 -4.104 -7.247 1.00 0.00 O ATOM 0 H GLY A 206 -1.141 -6.746 -7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -0.889 -5.662 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -2.506 -6.120 -9.641 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.550 -3.448 -9.388 1.00 0.00 N ATOM 1098 CA PRO A 207 -3.040 -2.088 -9.150 1.00 0.00 C ATOM 1099 C PRO A 207 -4.565 -2.005 -9.137 1.00 0.00 C ATOM 1100 O PRO A 207 -5.143 -0.936 -8.944 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.478 -1.319 -10.341 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.414 -2.322 -11.445 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.191 -3.666 -10.799 1.00 0.00 C ATOM 0 HA PRO A 207 -2.733 -1.703 -8.178 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.118 -0.478 -10.607 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.492 -0.911 -10.119 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.338 -2.320 -12.024 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.605 -2.086 -12.136 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.814 -4.436 -11.255 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.156 -3.991 -10.902 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.208 -3.143 -9.345 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.662 -3.209 -9.413 1.00 0.00 C ATOM 1113 C ALA A 208 -7.257 -3.642 -8.078 1.00 0.00 C ATOM 1114 O ALA A 208 -8.363 -4.179 -8.017 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.084 -4.170 -10.507 1.00 0.00 C ATOM 0 H ALA A 208 -4.742 -4.042 -9.471 1.00 0.00 H new ATOM 0 HA ALA A 208 -7.038 -2.212 -9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.172 -4.215 -10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.695 -3.825 -11.465 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -6.689 -5.163 -10.292 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.512 -3.406 -7.014 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.937 -3.795 -5.679 1.00 0.00 C ATOM 1123 C ALA A 209 -6.732 -2.649 -4.693 1.00 0.00 C ATOM 1124 O ALA A 209 -6.081 -1.654 -5.014 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.176 -5.037 -5.238 1.00 0.00 C ATOM 0 H ALA A 209 -5.603 -2.944 -7.048 1.00 0.00 H new ATOM 0 HA ALA A 209 -8.002 -4.028 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.498 -5.325 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.377 -5.853 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.107 -4.824 -5.228 1.00 0.00 H new ATOM 1131 N THR A 210 -7.280 -2.799 -3.495 1.00 0.00 N ATOM 1132 CA THR A 210 -7.232 -1.744 -2.492 1.00 0.00 C ATOM 1133 C THR A 210 -6.408 -2.202 -1.290 1.00 0.00 C ATOM 1134 O THR A 210 -6.075 -3.379 -1.191 1.00 0.00 O ATOM 1135 CB THR A 210 -8.658 -1.331 -2.042 1.00 0.00 C ATOM 1136 OG1 THR A 210 -8.603 -0.259 -1.089 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.400 -2.512 -1.431 1.00 0.00 C ATOM 0 H THR A 210 -7.765 -3.644 -3.193 1.00 0.00 H new ATOM 0 HA THR A 210 -6.757 -0.871 -2.939 1.00 0.00 H new ATOM 0 HB THR A 210 -9.196 -0.994 -2.928 1.00 0.00 H new ATOM 0 HG1 THR A 210 -8.255 0.548 -1.524 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.397 -2.196 -1.124 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.484 -3.310 -2.169 1.00 0.00 H new ATOM 0 HG23 THR A 210 -8.851 -2.877 -0.563 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.108 -1.278 -0.380 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.190 -1.527 0.734 1.00 0.00 C ATOM 1147 C LEU A 211 -5.508 -2.817 1.490 1.00 0.00 C ATOM 1148 O LEU A 211 -4.605 -3.597 1.799 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.231 -0.353 1.709 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.188 -0.402 2.820 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.787 -0.277 2.241 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.454 0.691 3.838 1.00 0.00 C ATOM 0 H LEU A 211 -6.494 -0.334 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.195 -1.637 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.098 0.571 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.221 -0.311 2.162 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.259 -1.365 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.055 -0.314 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.605 -1.099 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.695 0.671 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -3.702 0.645 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.407 1.664 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.444 0.551 4.272 1.00 0.00 H new ATOM 1164 N GLU A 212 -6.788 -3.039 1.768 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.219 -4.176 2.571 1.00 0.00 C ATOM 1166 C GLU A 212 -6.803 -5.506 1.933 1.00 0.00 C ATOM 1167 O GLU A 212 -6.613 -6.506 2.631 1.00 0.00 O ATOM 1168 CB GLU A 212 -8.734 -4.124 2.766 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.247 -5.110 3.798 1.00 0.00 C ATOM 1170 CD GLU A 212 -10.728 -4.957 4.064 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.095 -4.310 5.070 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -11.535 -5.467 3.261 1.00 0.00 O ATOM 0 H GLU A 212 -7.549 -2.442 1.446 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.728 -4.114 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.019 -3.116 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.222 -4.323 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.046 -6.125 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -8.698 -4.973 4.730 1.00 0.00 H new ATOM 1180 N GLU A 213 -6.626 -5.500 0.614 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.210 -6.684 -0.110 1.00 0.00 C ATOM 1182 C GLU A 213 -4.779 -7.046 0.267 1.00 0.00 C ATOM 1183 O GLU A 213 -4.497 -8.181 0.635 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.314 -6.435 -1.615 1.00 0.00 C ATOM 1185 CG GLU A 213 -7.743 -6.302 -2.115 1.00 0.00 C ATOM 1186 CD GLU A 213 -8.386 -7.643 -2.401 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -8.256 -8.127 -3.544 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -9.026 -8.214 -1.491 1.00 0.00 O ATOM 0 H GLU A 213 -6.767 -4.678 0.027 1.00 0.00 H new ATOM 0 HA GLU A 213 -6.864 -7.515 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -5.766 -5.526 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -5.828 -7.255 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.336 -5.770 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -7.752 -5.698 -3.022 1.00 0.00 H new ATOM 1196 N MET A 214 -3.892 -6.056 0.210 1.00 0.00 N ATOM 1197 CA MET A 214 -2.478 -6.263 0.513 1.00 0.00 C ATOM 1198 C MET A 214 -2.277 -6.645 1.969 1.00 0.00 C ATOM 1199 O MET A 214 -1.436 -7.487 2.289 1.00 0.00 O ATOM 1200 CB MET A 214 -1.655 -5.004 0.216 1.00 0.00 C ATOM 1201 CG MET A 214 -1.643 -4.617 -1.247 1.00 0.00 C ATOM 1202 SD MET A 214 -3.194 -3.880 -1.772 1.00 0.00 S ATOM 1203 CE MET A 214 -3.210 -4.380 -3.482 1.00 0.00 C ATOM 0 H MET A 214 -4.129 -5.097 -0.045 1.00 0.00 H new ATOM 0 HA MET A 214 -2.136 -7.077 -0.125 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.054 -4.174 0.799 1.00 0.00 H new ATOM 0 HB3 MET A 214 -0.630 -5.164 0.549 1.00 0.00 H new ATOM 0 HG2 MET A 214 -0.830 -3.914 -1.427 1.00 0.00 H new ATOM 0 HG3 MET A 214 -1.440 -5.501 -1.852 1.00 0.00 H new ATOM 0 HE1 MET A 214 -3.376 -3.508 -4.115 1.00 0.00 H new ATOM 0 HE2 MET A 214 -2.253 -4.836 -3.737 1.00 0.00 H new ATOM 0 HE3 MET A 214 -4.011 -5.102 -3.643 1.00 0.00 H new ATOM 1213 N MET A 215 -3.050 -6.017 2.846 1.00 0.00 N ATOM 1214 CA MET A 215 -2.932 -6.261 4.276 1.00 0.00 C ATOM 1215 C MET A 215 -3.259 -7.715 4.588 1.00 0.00 C ATOM 1216 O MET A 215 -2.453 -8.427 5.182 1.00 0.00 O ATOM 1217 CB MET A 215 -3.859 -5.326 5.053 1.00 0.00 C ATOM 1218 CG MET A 215 -3.627 -3.855 4.749 1.00 0.00 C ATOM 1219 SD MET A 215 -4.717 -2.767 5.682 1.00 0.00 S ATOM 1220 CE MET A 215 -4.070 -2.982 7.337 1.00 0.00 C ATOM 0 H MET A 215 -3.765 -5.335 2.591 1.00 0.00 H new ATOM 0 HA MET A 215 -1.905 -6.061 4.583 1.00 0.00 H new ATOM 0 HB2 MET A 215 -4.894 -5.578 4.822 1.00 0.00 H new ATOM 0 HB3 MET A 215 -3.721 -5.495 6.121 1.00 0.00 H new ATOM 0 HG2 MET A 215 -2.591 -3.602 4.973 1.00 0.00 H new ATOM 0 HG3 MET A 215 -3.774 -3.682 3.683 1.00 0.00 H new ATOM 0 HE1 MET A 215 -4.895 -3.008 8.049 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.514 -3.918 7.391 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.407 -2.151 7.579 1.00 0.00 H new ATOM 1230 N THR A 216 -4.422 -8.157 4.134 1.00 0.00 N ATOM 1231 CA THR A 216 -4.867 -9.525 4.354 1.00 0.00 C ATOM 1232 C THR A 216 -3.981 -10.511 3.592 1.00 0.00 C ATOM 1233 O THR A 216 -3.764 -11.641 4.038 1.00 0.00 O ATOM 1234 CB THR A 216 -6.334 -9.692 3.904 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.128 -8.620 4.436 1.00 0.00 O ATOM 1236 CG2 THR A 216 -6.905 -11.022 4.369 1.00 0.00 C ATOM 0 H THR A 216 -5.080 -7.583 3.607 1.00 0.00 H new ATOM 0 HA THR A 216 -4.793 -9.737 5.421 1.00 0.00 H new ATOM 0 HB THR A 216 -6.359 -9.669 2.815 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.032 -7.828 3.867 1.00 0.00 H new ATOM 0 HG21 THR A 216 -7.939 -11.110 4.037 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.318 -11.838 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 216 -6.868 -11.073 5.457 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.464 -10.066 2.452 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.588 -10.885 1.624 1.00 0.00 C ATOM 1246 C ALA A 217 -1.314 -11.261 2.373 1.00 0.00 C ATOM 1247 O ALA A 217 -0.946 -12.433 2.447 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.246 -10.152 0.332 1.00 0.00 C ATOM 0 H ALA A 217 -3.639 -9.133 2.078 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.118 -11.805 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.591 -10.775 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.162 -9.940 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -1.740 -9.216 0.568 1.00 0.00 H new ATOM 1254 N CYS A 218 -0.656 -10.264 2.948 1.00 0.00 N ATOM 1255 CA CYS A 218 0.599 -10.485 3.654 1.00 0.00 C ATOM 1256 C CYS A 218 0.359 -11.179 4.991 1.00 0.00 C ATOM 1257 O CYS A 218 1.201 -11.944 5.467 1.00 0.00 O ATOM 1258 CB CYS A 218 1.322 -9.158 3.873 1.00 0.00 C ATOM 1259 SG CYS A 218 1.572 -8.205 2.361 1.00 0.00 S ATOM 0 H CYS A 218 -0.970 -9.294 2.940 1.00 0.00 H new ATOM 0 HA CYS A 218 1.224 -11.134 3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.751 -8.556 4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.291 -9.355 4.332 1.00 0.00 H new ATOM 0 HG CYS A 218 0.439 -7.698 1.975 1.00 0.00 H new ATOM 1472 N THR B 2 -2.736 3.900 -2.465 1.00 0.00 N ATOM 1473 CA THR B 2 -2.370 5.302 -2.560 1.00 0.00 C ATOM 1474 C THR B 2 -2.604 5.954 -1.196 1.00 0.00 C ATOM 1475 O THR B 2 -3.113 5.292 -0.288 1.00 0.00 O ATOM 1476 CB THR B 2 -3.183 6.049 -3.644 1.00 0.00 C ATOM 1477 OG1 THR B 2 -4.284 6.739 -3.049 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.736 5.107 -4.699 1.00 0.00 C ATOM 0 HA THR B 2 -1.321 5.366 -2.849 1.00 0.00 H new ATOM 0 HB THR B 2 -2.496 6.749 -4.120 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.997 7.634 -2.771 1.00 0.00 H new ATOM 0 HG21 THR B 2 -4.299 5.678 -5.438 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.913 4.589 -5.191 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.394 4.377 -4.227 1.00 0.00 H new ATOM 1486 N PHE B 3 -2.250 7.222 -1.033 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.491 7.905 0.235 1.00 0.00 C ATOM 1488 C PHE B 3 -3.988 8.145 0.431 1.00 0.00 C ATOM 1489 O PHE B 3 -4.502 7.999 1.539 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.726 9.232 0.294 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.735 9.870 1.656 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.623 9.092 2.799 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.838 11.244 1.795 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.614 9.670 4.051 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.833 11.829 3.049 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.720 11.039 4.178 1.00 0.00 C ATOM 0 H PHE B 3 -1.802 7.793 -1.750 1.00 0.00 H new ATOM 0 HA PHE B 3 -2.129 7.267 1.041 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.694 9.061 -0.011 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -2.161 9.925 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.542 8.019 2.707 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.923 11.865 0.916 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.524 9.051 4.931 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -1.917 12.901 3.146 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.715 11.493 5.158 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.250 6.257 -0.736 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.740 4.929 -0.380 1.00 0.00 C ATOM 1528 C ASP B 5 -6.503 4.669 1.107 1.00 0.00 C ATOM 1529 O ASP B 5 -7.309 4.032 1.778 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.037 3.862 -1.230 1.00 0.00 C ATOM 1531 CG ASP B 5 -6.663 2.486 -1.103 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -6.064 1.626 -0.431 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -7.720 2.244 -1.718 1.00 0.00 O ATOM 0 HA ASP B 5 -7.811 4.879 -0.578 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -6.058 4.168 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -4.989 3.805 -0.936 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.393 5.198 1.612 1.00 0.00 N ATOM 1540 CA LEU B 6 -5.048 5.084 3.025 1.00 0.00 C ATOM 1541 C LEU B 6 -5.997 5.905 3.898 1.00 0.00 C ATOM 1542 O LEU B 6 -6.557 5.397 4.871 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.610 5.553 3.263 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.651 4.483 3.770 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.242 3.791 4.984 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.335 3.479 2.672 1.00 0.00 C ATOM 0 H LEU B 6 -4.711 5.715 1.057 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.141 4.034 3.301 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.218 5.956 2.329 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.627 6.372 3.982 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.716 4.960 4.063 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.550 3.028 5.340 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.412 4.523 5.773 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.189 3.324 4.712 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.649 2.724 3.056 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.256 2.998 2.343 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.873 3.994 1.830 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.166 7.177 3.551 1.00 0.00 N ATOM 1559 CA LEU B 7 -7.031 8.070 4.315 1.00 0.00 C ATOM 1560 C LEU B 7 -8.459 7.543 4.354 1.00 0.00 C ATOM 1561 O LEU B 7 -9.067 7.485 5.421 1.00 0.00 O ATOM 1562 CB LEU B 7 -7.011 9.488 3.731 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.736 10.297 4.010 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.698 11.550 3.151 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.666 10.686 5.477 1.00 0.00 C ATOM 0 H LEU B 7 -5.716 7.613 2.746 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.646 8.109 5.334 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.149 9.420 2.652 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.864 10.038 4.128 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.878 9.671 3.763 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.787 12.109 3.364 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.714 11.270 2.098 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.565 12.171 3.375 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.757 11.259 5.659 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.534 11.292 5.734 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.657 9.786 6.092 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.371 4.574 3.924 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.357 3.317 4.668 1.00 0.00 C ATOM 1599 C TYR B 9 -9.653 3.577 6.141 1.00 0.00 C ATOM 1600 O TYR B 9 -10.549 2.966 6.725 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.002 2.610 4.508 1.00 0.00 C ATOM 1602 CG TYR B 9 -7.808 1.420 5.425 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -8.428 0.203 5.168 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.001 1.520 6.553 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -8.251 -0.878 6.009 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -6.821 0.443 7.398 1.00 0.00 C ATOM 1607 CZ TYR B 9 -7.444 -0.752 7.122 1.00 0.00 C ATOM 1608 OH TYR B 9 -7.271 -1.824 7.974 1.00 0.00 O ATOM 0 HA TYR B 9 -10.132 2.665 4.265 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -7.898 2.279 3.475 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.205 3.330 4.693 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.058 0.101 4.297 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.507 2.455 6.772 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -8.741 -1.817 5.797 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -6.194 0.538 8.272 1.00 0.00 H new ATOM 0 HH TYR B 9 -6.672 -1.567 8.706 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.894 4.490 6.734 1.00 0.00 N ATOM 1619 CA TYR B 10 -9.099 4.874 8.126 1.00 0.00 C ATOM 1620 C TYR B 10 -10.385 5.680 8.285 1.00 0.00 C ATOM 1621 O TYR B 10 -11.064 5.585 9.311 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.900 5.678 8.639 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.675 4.831 8.909 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -6.510 4.200 10.135 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.688 4.658 7.945 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -5.399 3.420 10.395 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.575 3.878 8.198 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.435 3.263 9.423 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.330 2.486 9.678 1.00 0.00 O ATOM 0 H TYR B 10 -8.128 4.980 6.271 1.00 0.00 H new ATOM 0 HA TYR B 10 -9.192 3.965 8.720 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.647 6.445 7.907 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -8.184 6.194 9.556 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -7.264 4.321 10.899 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.792 5.140 6.984 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.287 2.936 11.354 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.818 3.751 7.438 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.452 1.602 9.274 1.00 0.00 H new