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 155 GLN : amide:sc= 0.99 K(o=1.2,f=0.43) USER MOD Set 1.2: A 198 CYS SG : rot -166:sc= 0.159 USER MOD Set 1.3: A 218 CYS SG : rot -27:sc= 0.0633 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 0:sc= -0.111 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 178 SER OG : rot 180:sc= 0.0067 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 LYS NZ :NH3+ 147:sc= 0.262 (180deg=0.0939) USER MOD Single : A 183 ASN :FLIP amide:sc= -1.39 F(o=-4.4!,f=-1.4) USER MOD Single : A 186 THR OG1 : rot 76:sc= -1.65! USER MOD Single : A 188 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 192 GLN :FLIP amide:sc= -0.138 F(o=-1.9!,f=-0.14) USER MOD Single : A 193 ASN : amide:sc= 1.03 K(o=1,f=-2.4!) USER MOD Single : A 195 ASN : amide:sc= 0.919 K(o=0.92,f=-1.3) USER MOD Single : A 199 LYS NZ :NH3+ 150:sc= 0.089 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 203 LYS NZ :NH3+ 163:sc= -0.0408 (180deg=-0.346) USER MOD Single : A 210 THR OG1 : rot -65:sc= 0.856 USER MOD Single : A 214 MET CE :methyl 151:sc= -5.6! (180deg=-7.47!) USER MOD Single : A 215 MET CE :methyl 180:sc= -0.228 (180deg=-0.228) USER MOD Single : A 216 THR OG1 : rot 72:sc= 0.493 USER MOD Single : B 2 THR OG1 : rot 180:sc= -0.0564 USER MOD Single : B 9 TYR OH : rot 5:sc= 1.26 USER MOD Single : B 10 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 10.623 9.169 5.623 1.00 0.00 N ATOM 171 CA ILE A 150 9.776 8.146 5.022 1.00 0.00 C ATOM 172 C ILE A 150 10.633 7.012 4.453 1.00 0.00 C ATOM 173 O ILE A 150 10.149 5.913 4.188 1.00 0.00 O ATOM 174 CB ILE A 150 8.878 8.748 3.910 1.00 0.00 C ATOM 175 CG1 ILE A 150 7.744 7.787 3.546 1.00 0.00 C ATOM 176 CG2 ILE A 150 9.699 9.094 2.673 1.00 0.00 C ATOM 177 CD1 ILE A 150 6.763 7.559 4.675 1.00 0.00 C ATOM 0 HA ILE A 150 9.129 7.744 5.801 1.00 0.00 H new ATOM 0 HB ILE A 150 8.439 9.668 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 150 7.208 8.180 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 150 8.171 6.830 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 150 9.046 9.514 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 150 10.465 9.823 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 150 10.175 8.192 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.986 6.868 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 150 7.287 7.136 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 150 6.308 8.508 4.959 1.00 0.00 H new ATOM 189 N LEU A 151 11.925 7.288 4.302 1.00 0.00 N ATOM 190 CA LEU A 151 12.868 6.314 3.764 1.00 0.00 C ATOM 191 C LEU A 151 13.131 5.195 4.767 1.00 0.00 C ATOM 192 O LEU A 151 13.424 4.060 4.385 1.00 0.00 O ATOM 193 CB LEU A 151 14.181 7.005 3.395 1.00 0.00 C ATOM 194 CG LEU A 151 14.058 8.107 2.344 1.00 0.00 C ATOM 195 CD1 LEU A 151 15.394 8.801 2.146 1.00 0.00 C ATOM 196 CD2 LEU A 151 13.562 7.527 1.027 1.00 0.00 C ATOM 0 H LEU A 151 12.345 8.185 4.547 1.00 0.00 H new ATOM 0 HA LEU A 151 12.429 5.873 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 151 14.615 7.433 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 151 14.880 6.252 3.030 1.00 0.00 H new ATOM 0 HG LEU A 151 13.334 8.843 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 151 15.290 9.583 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 151 15.717 9.244 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 151 16.136 8.075 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 151 13.479 8.323 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 151 14.266 6.774 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 151 12.585 7.068 1.177 1.00 0.00 H new ATOM 208 N ASP A 152 13.024 5.518 6.053 1.00 0.00 N ATOM 209 CA ASP A 152 13.212 4.526 7.108 1.00 0.00 C ATOM 210 C ASP A 152 11.923 3.753 7.343 1.00 0.00 C ATOM 211 O ASP A 152 11.906 2.744 8.051 1.00 0.00 O ATOM 212 CB ASP A 152 13.672 5.183 8.413 1.00 0.00 C ATOM 213 CG ASP A 152 15.121 5.625 8.368 1.00 0.00 C ATOM 214 OD1 ASP A 152 16.017 4.753 8.434 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.374 6.848 8.277 1.00 0.00 O ATOM 0 H ASP A 152 12.809 6.457 6.389 1.00 0.00 H new ATOM 0 HA ASP A 152 13.990 3.836 6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 152 13.040 6.046 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 152 13.536 4.481 9.236 1.00 0.00 H new ATOM 221 N ILE A 153 10.842 4.234 6.744 1.00 0.00 N ATOM 222 CA ILE A 153 9.557 3.566 6.849 1.00 0.00 C ATOM 223 C ILE A 153 9.470 2.453 5.812 1.00 0.00 C ATOM 224 O ILE A 153 9.092 2.674 4.662 1.00 0.00 O ATOM 225 CB ILE A 153 8.378 4.546 6.673 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.503 5.725 7.649 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.060 3.818 6.889 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.499 5.318 9.109 1.00 0.00 C ATOM 0 H ILE A 153 10.832 5.084 6.181 1.00 0.00 H new ATOM 0 HA ILE A 153 9.483 3.144 7.851 1.00 0.00 H new ATOM 0 HB ILE A 153 8.402 4.940 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.426 6.265 7.435 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.680 6.418 7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.233 4.517 6.763 1.00 0.00 H new ATOM 0 HG22 ILE A 153 6.967 3.011 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.034 3.404 7.897 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.591 6.206 9.734 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.566 4.805 9.341 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.338 4.650 9.303 1.00 0.00 H new ATOM 240 N ARG A 154 9.846 1.262 6.232 1.00 0.00 N ATOM 241 CA ARG A 154 9.913 0.110 5.353 1.00 0.00 C ATOM 242 C ARG A 154 9.473 -1.130 6.109 1.00 0.00 C ATOM 243 O ARG A 154 9.527 -1.162 7.342 1.00 0.00 O ATOM 244 CB ARG A 154 11.342 -0.060 4.831 1.00 0.00 C ATOM 245 CG ARG A 154 12.391 -0.001 5.930 1.00 0.00 C ATOM 246 CD ARG A 154 13.801 -0.084 5.377 1.00 0.00 C ATOM 247 NE ARG A 154 14.797 0.218 6.402 1.00 0.00 N ATOM 248 CZ ARG A 154 16.101 0.002 6.259 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.566 -0.593 5.164 1.00 0.00 N ATOM 250 NH2 ARG A 154 16.941 0.373 7.218 1.00 0.00 N ATOM 0 H ARG A 154 10.115 1.064 7.196 1.00 0.00 H new ATOM 0 HA ARG A 154 9.247 0.259 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 154 11.421 -1.015 4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 154 11.549 0.719 4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 154 12.276 0.926 6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.228 -0.820 6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 154 13.979 -1.083 4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 154 13.909 0.614 4.547 1.00 0.00 H new ATOM 0 HE ARG A 154 14.472 0.619 7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 154 15.921 -0.886 4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 154 17.567 -0.757 5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 154 16.585 0.822 8.062 1.00 0.00 H new ATOM 0 HH22 ARG A 154 17.942 0.209 7.111 1.00 0.00 H new ATOM 264 N GLN A 155 9.022 -2.138 5.384 1.00 0.00 N ATOM 265 CA GLN A 155 8.573 -3.363 6.012 1.00 0.00 C ATOM 266 C GLN A 155 9.779 -4.225 6.347 1.00 0.00 C ATOM 267 O GLN A 155 10.462 -4.717 5.451 1.00 0.00 O ATOM 268 CB GLN A 155 7.620 -4.125 5.092 1.00 0.00 C ATOM 269 CG GLN A 155 6.756 -5.139 5.825 1.00 0.00 C ATOM 270 CD GLN A 155 5.864 -5.936 4.893 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.491 -5.470 3.819 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.490 -7.133 5.313 1.00 0.00 N ATOM 0 H GLN A 155 8.958 -2.131 4.366 1.00 0.00 H new ATOM 0 HA GLN A 155 8.034 -3.116 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 155 6.975 -3.412 4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.200 -4.639 4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.398 -5.824 6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.137 -4.620 6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.821 -7.485 6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.870 -7.704 4.739 1.00 0.00 H new ATOM 281 N GLY A 156 10.052 -4.364 7.636 1.00 0.00 N ATOM 282 CA GLY A 156 11.142 -5.208 8.089 1.00 0.00 C ATOM 283 C GLY A 156 10.935 -6.659 7.695 1.00 0.00 C ATOM 284 O GLY A 156 9.826 -7.039 7.321 1.00 0.00 O ATOM 0 H GLY A 156 9.533 -3.903 8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 156 12.080 -4.847 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 156 11.231 -5.135 9.173 1.00 0.00 H new ATOM 288 N PRO A 157 11.975 -7.502 7.812 1.00 0.00 N ATOM 289 CA PRO A 157 11.968 -8.880 7.292 1.00 0.00 C ATOM 290 C PRO A 157 10.760 -9.692 7.752 1.00 0.00 C ATOM 291 O PRO A 157 10.193 -10.469 6.982 1.00 0.00 O ATOM 292 CB PRO A 157 13.265 -9.490 7.845 1.00 0.00 C ATOM 293 CG PRO A 157 13.740 -8.538 8.893 1.00 0.00 C ATOM 294 CD PRO A 157 13.239 -7.186 8.483 1.00 0.00 C ATOM 0 HA PRO A 157 11.906 -8.887 6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 157 13.085 -10.479 8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 157 14.009 -9.610 7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 157 13.355 -8.815 9.875 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.828 -8.546 8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 157 13.089 -6.532 9.342 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.937 -6.681 7.815 1.00 0.00 H new ATOM 302 N LYS A 158 10.370 -9.514 9.006 1.00 0.00 N ATOM 303 CA LYS A 158 9.199 -10.196 9.540 1.00 0.00 C ATOM 304 C LYS A 158 8.191 -9.182 10.071 1.00 0.00 C ATOM 305 O LYS A 158 7.391 -9.479 10.959 1.00 0.00 O ATOM 306 CB LYS A 158 9.598 -11.184 10.636 1.00 0.00 C ATOM 307 CG LYS A 158 10.338 -10.543 11.795 1.00 0.00 C ATOM 308 CD LYS A 158 10.584 -11.544 12.909 1.00 0.00 C ATOM 309 CE LYS A 158 11.190 -10.881 14.132 1.00 0.00 C ATOM 310 NZ LYS A 158 11.259 -11.819 15.279 1.00 0.00 N ATOM 0 H LYS A 158 10.846 -8.905 9.672 1.00 0.00 H new ATOM 0 HA LYS A 158 8.732 -10.759 8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 158 8.701 -11.674 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 158 10.226 -11.961 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 158 11.290 -10.142 11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 158 9.760 -9.702 12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 158 9.644 -12.023 13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 158 11.250 -12.330 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 158 12.191 -10.521 13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 158 10.595 -10.010 14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 11.678 -11.335 16.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 10.301 -12.143 15.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 11.847 -12.638 15.023 1.00 0.00 H new ATOM 324 N GLU A 159 8.246 -7.984 9.515 1.00 0.00 N ATOM 325 CA GLU A 159 7.336 -6.912 9.894 1.00 0.00 C ATOM 326 C GLU A 159 5.950 -7.165 9.310 1.00 0.00 C ATOM 327 O GLU A 159 5.807 -7.364 8.103 1.00 0.00 O ATOM 328 CB GLU A 159 7.874 -5.580 9.373 1.00 0.00 C ATOM 329 CG GLU A 159 7.098 -4.357 9.832 1.00 0.00 C ATOM 330 CD GLU A 159 7.409 -3.978 11.262 1.00 0.00 C ATOM 331 OE1 GLU A 159 6.471 -3.688 12.024 1.00 0.00 O ATOM 332 OE2 GLU A 159 8.603 -3.945 11.626 1.00 0.00 O ATOM 0 H GLU A 159 8.918 -7.726 8.792 1.00 0.00 H new ATOM 0 HA GLU A 159 7.261 -6.879 10.981 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.912 -5.474 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.874 -5.605 8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 159 7.330 -3.517 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 159 6.030 -4.551 9.735 1.00 0.00 H new ATOM 340 N PRO A 160 4.917 -7.187 10.161 1.00 0.00 N ATOM 341 CA PRO A 160 3.534 -7.307 9.705 1.00 0.00 C ATOM 342 C PRO A 160 3.111 -6.084 8.895 1.00 0.00 C ATOM 343 O PRO A 160 3.367 -4.941 9.287 1.00 0.00 O ATOM 344 CB PRO A 160 2.726 -7.402 11.004 1.00 0.00 C ATOM 345 CG PRO A 160 3.606 -6.816 12.054 1.00 0.00 C ATOM 346 CD PRO A 160 5.015 -7.106 11.627 1.00 0.00 C ATOM 0 HA PRO A 160 3.385 -8.164 9.048 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.788 -6.853 10.925 1.00 0.00 H new ATOM 0 HB3 PRO A 160 2.472 -8.436 11.235 1.00 0.00 H new ATOM 0 HG2 PRO A 160 3.440 -5.743 12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 160 3.396 -7.256 13.029 1.00 0.00 H new ATOM 0 HD2 PRO A 160 5.700 -6.319 11.941 1.00 0.00 H new ATOM 0 HD3 PRO A 160 5.382 -8.038 12.057 1.00 0.00 H new ATOM 354 N PHE A 161 2.460 -6.337 7.765 1.00 0.00 N ATOM 355 CA PHE A 161 2.028 -5.278 6.859 1.00 0.00 C ATOM 356 C PHE A 161 1.051 -4.331 7.555 1.00 0.00 C ATOM 357 O PHE A 161 0.962 -3.151 7.212 1.00 0.00 O ATOM 358 CB PHE A 161 1.387 -5.894 5.611 1.00 0.00 C ATOM 359 CG PHE A 161 1.136 -4.918 4.495 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.154 -4.566 3.622 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.117 -4.361 4.315 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.926 -3.674 2.593 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.353 -3.469 3.286 1.00 0.00 C ATOM 364 CZ PHE A 161 0.669 -3.125 2.426 1.00 0.00 C ATOM 0 H PHE A 161 2.218 -7.277 7.452 1.00 0.00 H new ATOM 0 HA PHE A 161 2.900 -4.696 6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 161 2.032 -6.691 5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.441 -6.355 5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.137 -4.995 3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.920 -4.626 4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.728 -3.406 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.336 -3.042 3.155 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.487 -2.427 1.622 1.00 0.00 H new ATOM 374 N ARG A 162 0.327 -4.861 8.537 1.00 0.00 N ATOM 375 CA ARG A 162 -0.584 -4.061 9.350 1.00 0.00 C ATOM 376 C ARG A 162 0.172 -2.941 10.058 1.00 0.00 C ATOM 377 O ARG A 162 -0.199 -1.770 9.967 1.00 0.00 O ATOM 378 CB ARG A 162 -1.275 -4.944 10.395 1.00 0.00 C ATOM 379 CG ARG A 162 -2.341 -4.214 11.193 1.00 0.00 C ATOM 380 CD ARG A 162 -2.829 -5.045 12.370 1.00 0.00 C ATOM 381 NE ARG A 162 -4.070 -4.516 12.925 1.00 0.00 N ATOM 382 CZ ARG A 162 -4.250 -4.193 14.206 1.00 0.00 C ATOM 383 NH1 ARG A 162 -3.248 -4.276 15.073 1.00 0.00 N ATOM 384 NH2 ARG A 162 -5.436 -3.775 14.617 1.00 0.00 N ATOM 0 H ARG A 162 0.354 -5.849 8.790 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.333 -3.624 8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -1.729 -5.799 9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -0.524 -5.338 11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -1.940 -3.268 11.557 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -3.182 -3.974 10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.984 -6.075 12.049 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -2.063 -5.064 13.145 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.856 -4.384 12.288 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -2.329 -4.589 14.762 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.397 -4.026 16.051 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.208 -3.701 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -5.578 -3.527 15.596 1.00 0.00 H new ATOM 398 N ASP A 163 1.242 -3.318 10.749 1.00 0.00 N ATOM 399 CA ASP A 163 2.055 -2.370 11.504 1.00 0.00 C ATOM 400 C ASP A 163 2.786 -1.423 10.569 1.00 0.00 C ATOM 401 O ASP A 163 3.044 -0.267 10.914 1.00 0.00 O ATOM 402 CB ASP A 163 3.075 -3.110 12.375 1.00 0.00 C ATOM 403 CG ASP A 163 2.447 -3.814 13.560 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.536 -4.643 13.357 1.00 0.00 O ATOM 405 OD2 ASP A 163 2.877 -3.556 14.705 1.00 0.00 O ATOM 0 H ASP A 163 1.569 -4.283 10.802 1.00 0.00 H new ATOM 0 HA ASP A 163 1.387 -1.794 12.143 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.603 -3.842 11.763 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.819 -2.400 12.735 1.00 0.00 H new ATOM 411 N TYR A 164 3.108 -1.918 9.379 1.00 0.00 N ATOM 412 CA TYR A 164 3.822 -1.131 8.390 1.00 0.00 C ATOM 413 C TYR A 164 2.950 0.022 7.904 1.00 0.00 C ATOM 414 O TYR A 164 3.332 1.183 8.028 1.00 0.00 O ATOM 415 CB TYR A 164 4.262 -2.021 7.217 1.00 0.00 C ATOM 416 CG TYR A 164 4.701 -1.246 5.996 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.828 -0.433 6.023 1.00 0.00 C ATOM 418 CD2 TYR A 164 3.968 -1.311 4.822 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.210 0.291 4.909 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.338 -0.590 3.709 1.00 0.00 C ATOM 421 CZ TYR A 164 5.458 0.211 3.755 1.00 0.00 C ATOM 422 OH TYR A 164 5.821 0.938 2.647 1.00 0.00 O ATOM 0 H TYR A 164 2.883 -2.866 9.078 1.00 0.00 H new ATOM 0 HA TYR A 164 4.716 -0.711 8.851 1.00 0.00 H new ATOM 0 HB2 TYR A 164 5.082 -2.660 7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.437 -2.678 6.942 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.414 -0.366 6.928 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.090 -1.939 4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.091 0.915 4.942 1.00 0.00 H new ATOM 0 HE2 TYR A 164 3.753 -0.652 2.804 1.00 0.00 H new ATOM 0 HH TYR A 164 6.629 1.456 2.846 1.00 0.00 H new ATOM 432 N VAL A 165 1.771 -0.306 7.383 1.00 0.00 N ATOM 433 CA VAL A 165 0.844 0.699 6.868 1.00 0.00 C ATOM 434 C VAL A 165 0.449 1.697 7.950 1.00 0.00 C ATOM 435 O VAL A 165 0.364 2.897 7.690 1.00 0.00 O ATOM 436 CB VAL A 165 -0.421 0.037 6.269 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.616 0.982 6.282 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.141 -0.416 4.849 1.00 0.00 C ATOM 0 H VAL A 165 1.433 -1.265 7.306 1.00 0.00 H new ATOM 0 HA VAL A 165 1.362 1.239 6.076 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.671 -0.823 6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.483 0.479 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.837 1.275 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.384 1.870 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -1.035 -0.881 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.137 0.445 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.676 -1.138 4.852 1.00 0.00 H new ATOM 448 N ASP A 166 0.236 1.198 9.161 1.00 0.00 N ATOM 449 CA ASP A 166 -0.215 2.031 10.271 1.00 0.00 C ATOM 450 C ASP A 166 0.732 3.208 10.508 1.00 0.00 C ATOM 451 O ASP A 166 0.293 4.355 10.621 1.00 0.00 O ATOM 452 CB ASP A 166 -0.338 1.193 11.541 1.00 0.00 C ATOM 453 CG ASP A 166 -0.833 1.995 12.726 1.00 0.00 C ATOM 454 OD1 ASP A 166 -2.065 2.092 12.915 1.00 0.00 O ATOM 455 OD2 ASP A 166 0.006 2.516 13.487 1.00 0.00 O ATOM 0 H ASP A 166 0.369 0.216 9.401 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.193 2.435 10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -1.021 0.363 11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.633 0.760 11.781 1.00 0.00 H new ATOM 461 N ARG A 167 2.029 2.930 10.562 1.00 0.00 N ATOM 462 CA ARG A 167 3.008 3.980 10.807 1.00 0.00 C ATOM 463 C ARG A 167 3.396 4.676 9.503 1.00 0.00 C ATOM 464 O ARG A 167 3.797 5.842 9.507 1.00 0.00 O ATOM 465 CB ARG A 167 4.246 3.425 11.523 1.00 0.00 C ATOM 466 CG ARG A 167 5.085 2.458 10.699 1.00 0.00 C ATOM 467 CD ARG A 167 6.207 1.865 11.538 1.00 0.00 C ATOM 468 NE ARG A 167 7.130 1.044 10.751 1.00 0.00 N ATOM 469 CZ ARG A 167 7.263 -0.274 10.901 1.00 0.00 C ATOM 470 NH1 ARG A 167 6.477 -0.932 11.751 1.00 0.00 N ATOM 471 NH2 ARG A 167 8.183 -0.930 10.197 1.00 0.00 N ATOM 0 H ARG A 167 2.423 1.997 10.441 1.00 0.00 H new ATOM 0 HA ARG A 167 2.549 4.721 11.462 1.00 0.00 H new ATOM 0 HB2 ARG A 167 4.876 4.261 11.828 1.00 0.00 H new ATOM 0 HB3 ARG A 167 3.925 2.919 12.433 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.452 1.659 10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.505 2.977 9.837 1.00 0.00 H new ATOM 0 HD2 ARG A 167 6.763 2.672 12.016 1.00 0.00 H new ATOM 0 HD3 ARG A 167 5.777 1.258 12.335 1.00 0.00 H new ATOM 0 HE ARG A 167 7.704 1.508 10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 167 5.772 -0.428 12.288 1.00 0.00 H new ATOM 0 HH12 ARG A 167 6.580 -1.940 11.865 1.00 0.00 H new ATOM 0 HH21 ARG A 167 8.783 -0.424 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 167 8.288 -1.938 10.309 1.00 0.00 H new ATOM 485 N PHE A 168 3.262 3.960 8.393 1.00 0.00 N ATOM 486 CA PHE A 168 3.538 4.517 7.074 1.00 0.00 C ATOM 487 C PHE A 168 2.552 5.633 6.758 1.00 0.00 C ATOM 488 O PHE A 168 2.948 6.739 6.395 1.00 0.00 O ATOM 489 CB PHE A 168 3.458 3.410 6.015 1.00 0.00 C ATOM 490 CG PHE A 168 3.684 3.869 4.600 1.00 0.00 C ATOM 491 CD1 PHE A 168 4.911 4.376 4.204 1.00 0.00 C ATOM 492 CD2 PHE A 168 2.668 3.782 3.665 1.00 0.00 C ATOM 493 CE1 PHE A 168 5.119 4.789 2.902 1.00 0.00 C ATOM 494 CE2 PHE A 168 2.871 4.191 2.362 1.00 0.00 C ATOM 495 CZ PHE A 168 4.098 4.695 1.980 1.00 0.00 C ATOM 0 H PHE A 168 2.962 2.985 8.381 1.00 0.00 H new ATOM 0 HA PHE A 168 4.544 4.936 7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.195 2.644 6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.477 2.939 6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 168 5.715 4.449 4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 168 1.705 3.390 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 168 6.080 5.185 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 168 2.070 4.117 1.642 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.258 5.015 0.961 1.00 0.00 H new ATOM 505 N TYR A 169 1.270 5.341 6.937 1.00 0.00 N ATOM 506 CA TYR A 169 0.210 6.305 6.668 1.00 0.00 C ATOM 507 C TYR A 169 0.360 7.563 7.527 1.00 0.00 C ATOM 508 O TYR A 169 0.259 8.677 7.018 1.00 0.00 O ATOM 509 CB TYR A 169 -1.161 5.654 6.894 1.00 0.00 C ATOM 510 CG TYR A 169 -2.251 6.625 7.285 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.737 7.554 6.378 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.778 6.625 8.571 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.717 8.452 6.737 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.758 7.525 8.940 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.225 8.437 8.018 1.00 0.00 C ATOM 516 OH TYR A 169 -5.197 9.342 8.378 1.00 0.00 O ATOM 0 H TYR A 169 0.937 4.436 7.270 1.00 0.00 H new ATOM 0 HA TYR A 169 0.290 6.613 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.460 5.137 5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -1.067 4.897 7.673 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.341 7.574 5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.415 5.909 9.294 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.087 9.166 6.016 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -4.156 7.514 9.944 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.448 9.197 9.314 1.00 0.00 H new ATOM 526 N LYS A 170 0.603 7.386 8.821 1.00 0.00 N ATOM 527 CA LYS A 170 0.717 8.524 9.729 1.00 0.00 C ATOM 528 C LYS A 170 1.889 9.418 9.345 1.00 0.00 C ATOM 529 O LYS A 170 1.742 10.638 9.245 1.00 0.00 O ATOM 530 CB LYS A 170 0.884 8.064 11.179 1.00 0.00 C ATOM 531 CG LYS A 170 -0.324 7.334 11.741 1.00 0.00 C ATOM 532 CD LYS A 170 -0.256 7.254 13.260 1.00 0.00 C ATOM 533 CE LYS A 170 0.960 6.472 13.737 1.00 0.00 C ATOM 534 NZ LYS A 170 1.311 6.812 15.140 1.00 0.00 N ATOM 0 H LYS A 170 0.724 6.475 9.263 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.208 9.094 9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 170 1.753 7.409 11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.093 8.933 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -1.237 7.849 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -0.373 6.329 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -0.224 8.261 13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -1.162 6.781 13.639 1.00 0.00 H new ATOM 0 HE2 LYS A 170 0.760 5.403 13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 170 1.809 6.685 13.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 2.143 6.262 15.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 1.526 7.827 15.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 0.510 6.585 15.763 1.00 0.00 H new ATOM 548 N THR A 171 3.046 8.808 9.123 1.00 0.00 N ATOM 549 CA THR A 171 4.245 9.554 8.769 1.00 0.00 C ATOM 550 C THR A 171 4.064 10.262 7.427 1.00 0.00 C ATOM 551 O THR A 171 4.497 11.399 7.245 1.00 0.00 O ATOM 552 CB THR A 171 5.470 8.622 8.709 1.00 0.00 C ATOM 553 OG1 THR A 171 5.551 7.861 9.920 1.00 0.00 O ATOM 554 CG2 THR A 171 6.756 9.412 8.521 1.00 0.00 C ATOM 0 H THR A 171 3.179 7.798 9.182 1.00 0.00 H new ATOM 0 HA THR A 171 4.413 10.304 9.542 1.00 0.00 H new ATOM 0 HB THR A 171 5.350 7.956 7.855 1.00 0.00 H new ATOM 0 HG1 THR A 171 4.964 7.079 9.855 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.602 8.726 8.483 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.704 9.976 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.885 10.101 9.356 1.00 0.00 H new ATOM 562 N LEU A 172 3.389 9.592 6.505 1.00 0.00 N ATOM 563 CA LEU A 172 3.132 10.139 5.183 1.00 0.00 C ATOM 564 C LEU A 172 2.100 11.267 5.253 1.00 0.00 C ATOM 565 O LEU A 172 2.145 12.227 4.479 1.00 0.00 O ATOM 566 CB LEU A 172 2.655 9.016 4.269 1.00 0.00 C ATOM 567 CG LEU A 172 2.564 9.361 2.791 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.891 9.903 2.278 1.00 0.00 C ATOM 569 CD2 LEU A 172 2.162 8.126 2.017 1.00 0.00 C ATOM 0 H LEU A 172 3.006 8.658 6.652 1.00 0.00 H new ATOM 0 HA LEU A 172 4.051 10.565 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 172 3.330 8.168 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.672 8.690 4.608 1.00 0.00 H new ATOM 0 HG LEU A 172 1.812 10.138 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.801 10.143 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 172 4.155 10.804 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.668 9.151 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 172 2.095 8.367 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.908 7.345 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 172 1.193 7.774 2.371 1.00 0.00 H new ATOM 581 N ARG A 173 1.168 11.139 6.185 1.00 0.00 N ATOM 582 CA ARG A 173 0.222 12.201 6.485 1.00 0.00 C ATOM 583 C ARG A 173 0.967 13.425 7.024 1.00 0.00 C ATOM 584 O ARG A 173 0.609 14.570 6.731 1.00 0.00 O ATOM 585 CB ARG A 173 -0.804 11.685 7.501 1.00 0.00 C ATOM 586 CG ARG A 173 -1.804 12.724 7.985 1.00 0.00 C ATOM 587 CD ARG A 173 -2.848 12.084 8.886 1.00 0.00 C ATOM 588 NE ARG A 173 -3.646 13.079 9.606 1.00 0.00 N ATOM 589 CZ ARG A 173 -4.346 12.814 10.712 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.446 11.565 11.157 1.00 0.00 N ATOM 591 NH2 ARG A 173 -4.973 13.794 11.348 1.00 0.00 N ATOM 0 H ARG A 173 1.047 10.300 6.752 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.303 12.501 5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -1.352 10.856 7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.270 11.286 8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.283 13.513 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -2.292 13.193 7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.508 11.458 8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.353 11.430 9.604 1.00 0.00 H new ATOM 0 HE ARG A 173 -3.668 14.031 9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -3.987 10.806 10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -4.981 11.366 12.002 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -4.920 14.749 10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -5.508 13.593 12.193 1.00 0.00 H new ATOM 605 N ALA A 174 2.028 13.169 7.785 1.00 0.00 N ATOM 606 CA ALA A 174 2.859 14.228 8.343 1.00 0.00 C ATOM 607 C ALA A 174 3.766 14.837 7.276 1.00 0.00 C ATOM 608 O ALA A 174 4.126 16.015 7.357 1.00 0.00 O ATOM 609 CB ALA A 174 3.688 13.697 9.506 1.00 0.00 C ATOM 0 H ALA A 174 2.333 12.227 8.030 1.00 0.00 H new ATOM 0 HA ALA A 174 2.200 15.013 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.303 14.501 9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.024 13.320 10.284 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.331 12.890 9.156 1.00 0.00 H new ATOM 615 N GLU A 175 4.115 14.036 6.272 1.00 0.00 N ATOM 616 CA GLU A 175 4.936 14.496 5.151 1.00 0.00 C ATOM 617 C GLU A 175 4.338 15.731 4.489 1.00 0.00 C ATOM 618 O GLU A 175 3.155 15.753 4.129 1.00 0.00 O ATOM 619 CB GLU A 175 5.088 13.386 4.109 1.00 0.00 C ATOM 620 CG GLU A 175 6.040 12.279 4.525 1.00 0.00 C ATOM 621 CD GLU A 175 7.477 12.751 4.586 1.00 0.00 C ATOM 622 OE1 GLU A 175 8.272 12.346 3.715 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.809 13.551 5.484 1.00 0.00 O ATOM 0 H GLU A 175 3.840 13.056 6.211 1.00 0.00 H new ATOM 0 HA GLU A 175 5.915 14.759 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.108 12.953 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.441 13.823 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.744 11.896 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.961 11.451 3.820 1.00 0.00 H new ATOM 631 N GLN A 176 5.158 16.758 4.337 1.00 0.00 N ATOM 632 CA GLN A 176 4.732 17.992 3.697 1.00 0.00 C ATOM 633 C GLN A 176 4.978 17.914 2.195 1.00 0.00 C ATOM 634 O GLN A 176 5.785 18.657 1.637 1.00 0.00 O ATOM 635 CB GLN A 176 5.464 19.190 4.300 1.00 0.00 C ATOM 636 CG GLN A 176 5.234 19.346 5.794 1.00 0.00 C ATOM 637 CD GLN A 176 5.881 20.593 6.361 1.00 0.00 C ATOM 638 OE1 GLN A 176 6.000 21.608 5.679 1.00 0.00 O ATOM 639 NE2 GLN A 176 6.307 20.524 7.612 1.00 0.00 N ATOM 0 H GLN A 176 6.129 16.761 4.650 1.00 0.00 H new ATOM 0 HA GLN A 176 3.664 18.125 3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 176 6.533 19.085 4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 176 5.139 20.098 3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 176 4.162 19.377 5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 176 5.628 18.471 6.311 1.00 0.00 H new ATOM 0 HE21 GLN A 176 6.189 19.662 8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 176 6.753 21.333 8.044 1.00 0.00 H new ATOM 648 N ALA A 177 4.290 16.983 1.560 1.00 0.00 N ATOM 649 CA ALA A 177 4.370 16.807 0.124 1.00 0.00 C ATOM 650 C ALA A 177 3.007 17.054 -0.496 1.00 0.00 C ATOM 651 O ALA A 177 1.980 16.827 0.152 1.00 0.00 O ATOM 652 CB ALA A 177 4.856 15.403 -0.202 1.00 0.00 C ATOM 0 H ALA A 177 3.661 16.329 2.026 1.00 0.00 H new ATOM 0 HA ALA A 177 5.081 17.523 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.913 15.280 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.843 15.250 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.160 14.672 0.210 1.00 0.00 H new ATOM 658 N SER A 178 3.002 17.538 -1.730 1.00 0.00 N ATOM 659 CA SER A 178 1.767 17.766 -2.459 1.00 0.00 C ATOM 660 C SER A 178 0.983 16.463 -2.579 1.00 0.00 C ATOM 661 O SER A 178 1.565 15.421 -2.880 1.00 0.00 O ATOM 662 CB SER A 178 2.086 18.328 -3.842 1.00 0.00 C ATOM 663 OG SER A 178 3.057 19.355 -3.749 1.00 0.00 O ATOM 0 H SER A 178 3.846 17.781 -2.248 1.00 0.00 H new ATOM 0 HA SER A 178 1.155 18.487 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 178 2.452 17.531 -4.489 1.00 0.00 H new ATOM 0 HB3 SER A 178 1.178 18.719 -4.300 1.00 0.00 H new ATOM 0 HG SER A 178 3.252 19.703 -4.644 1.00 0.00 H new ATOM 669 N GLN A 179 -0.320 16.526 -2.324 1.00 0.00 N ATOM 670 CA GLN A 179 -1.152 15.332 -2.184 1.00 0.00 C ATOM 671 C GLN A 179 -0.956 14.366 -3.347 1.00 0.00 C ATOM 672 O GLN A 179 -0.684 13.185 -3.139 1.00 0.00 O ATOM 673 CB GLN A 179 -2.624 15.726 -2.074 1.00 0.00 C ATOM 674 CG GLN A 179 -3.532 14.582 -1.660 1.00 0.00 C ATOM 675 CD GLN A 179 -4.976 15.016 -1.500 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.765 14.952 -2.443 1.00 0.00 O ATOM 677 NE2 GLN A 179 -5.325 15.473 -0.308 1.00 0.00 N ATOM 0 H GLN A 179 -0.829 17.402 -2.209 1.00 0.00 H new ATOM 0 HA GLN A 179 -0.844 14.821 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -2.721 16.536 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -2.960 16.115 -3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.475 13.789 -2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.176 14.162 -0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -4.639 15.508 0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -6.280 15.790 -0.143 1.00 0.00 H new ATOM 686 N GLU A 180 -1.062 14.891 -4.558 1.00 0.00 N ATOM 687 CA GLU A 180 -0.941 14.094 -5.774 1.00 0.00 C ATOM 688 C GLU A 180 0.413 13.392 -5.834 1.00 0.00 C ATOM 689 O GLU A 180 0.490 12.182 -6.056 1.00 0.00 O ATOM 690 CB GLU A 180 -1.101 14.990 -7.011 1.00 0.00 C ATOM 691 CG GLU A 180 -2.457 15.679 -7.142 1.00 0.00 C ATOM 692 CD GLU A 180 -2.706 16.748 -6.090 1.00 0.00 C ATOM 693 OE1 GLU A 180 -1.731 17.295 -5.530 1.00 0.00 O ATOM 694 OE2 GLU A 180 -3.887 17.049 -5.825 1.00 0.00 O ATOM 0 H GLU A 180 -1.234 15.882 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.728 13.340 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -0.324 15.754 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -0.930 14.386 -7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -2.530 16.132 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -3.244 14.928 -7.076 1.00 0.00 H new ATOM 702 N VAL A 181 1.476 14.165 -5.635 1.00 0.00 N ATOM 703 CA VAL A 181 2.831 13.630 -5.621 1.00 0.00 C ATOM 704 C VAL A 181 2.968 12.582 -4.524 1.00 0.00 C ATOM 705 O VAL A 181 3.575 11.526 -4.720 1.00 0.00 O ATOM 706 CB VAL A 181 3.875 14.748 -5.401 1.00 0.00 C ATOM 707 CG1 VAL A 181 5.282 14.175 -5.310 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.788 15.782 -6.513 1.00 0.00 C ATOM 0 H VAL A 181 1.423 15.172 -5.480 1.00 0.00 H new ATOM 0 HA VAL A 181 3.018 13.172 -6.592 1.00 0.00 H new ATOM 0 HB VAL A 181 3.652 15.237 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.995 14.985 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 181 5.338 13.478 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 181 5.522 13.652 -6.236 1.00 0.00 H new ATOM 0 HG21 VAL A 181 4.530 16.562 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.980 15.302 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 181 2.792 16.224 -6.522 1.00 0.00 H new ATOM 718 N LYS A 182 2.364 12.875 -3.381 1.00 0.00 N ATOM 719 CA LYS A 182 2.373 11.977 -2.251 1.00 0.00 C ATOM 720 C LYS A 182 1.721 10.649 -2.616 1.00 0.00 C ATOM 721 O LYS A 182 2.266 9.588 -2.319 1.00 0.00 O ATOM 722 CB LYS A 182 1.639 12.627 -1.084 1.00 0.00 C ATOM 723 CG LYS A 182 1.635 11.796 0.177 1.00 0.00 C ATOM 724 CD LYS A 182 0.814 12.459 1.265 1.00 0.00 C ATOM 725 CE LYS A 182 1.408 13.793 1.691 1.00 0.00 C ATOM 726 NZ LYS A 182 0.670 14.387 2.837 1.00 0.00 N ATOM 0 H LYS A 182 1.856 13.744 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 182 3.405 11.777 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 182 2.100 13.592 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 182 0.609 12.824 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 182 1.230 10.807 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 182 2.658 11.653 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -0.205 12.613 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 182 0.753 11.797 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 182 2.454 13.654 1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 182 1.389 14.485 0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.332 14.918 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.066 15.030 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 0.227 13.629 3.395 1.00 0.00 H new ATOM 740 N ASN A 183 0.562 10.716 -3.279 1.00 0.00 N ATOM 741 CA ASN A 183 -0.164 9.510 -3.675 1.00 0.00 C ATOM 742 C ASN A 183 0.714 8.623 -4.539 1.00 0.00 C ATOM 743 O ASN A 183 0.854 7.429 -4.272 1.00 0.00 O ATOM 744 CB ASN A 183 -1.442 9.828 -4.460 1.00 0.00 C ATOM 745 CG ASN A 183 -2.384 10.796 -3.764 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.371 10.812 -2.443 1.00 0.00 O flip ATOM 747 ND2 ASN A 183 -3.120 11.531 -4.417 1.00 0.00 N flip ATOM 0 H ASN A 183 0.110 11.589 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.439 9.000 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.164 10.244 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.975 8.897 -4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.105 11.493 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.746 12.180 -3.940 1.00 0.00 H new ATOM 754 N ALA A 184 1.309 9.226 -5.564 1.00 0.00 N ATOM 755 CA ALA A 184 2.169 8.506 -6.496 1.00 0.00 C ATOM 756 C ALA A 184 3.331 7.850 -5.764 1.00 0.00 C ATOM 757 O ALA A 184 3.663 6.690 -6.015 1.00 0.00 O ATOM 758 CB ALA A 184 2.683 9.445 -7.576 1.00 0.00 C ATOM 0 H ALA A 184 1.210 10.220 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 184 1.579 7.721 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.323 8.893 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.840 9.866 -8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.255 10.251 -7.116 1.00 0.00 H new ATOM 764 N ALA A 185 3.932 8.597 -4.846 1.00 0.00 N ATOM 765 CA ALA A 185 5.021 8.084 -4.031 1.00 0.00 C ATOM 766 C ALA A 185 4.547 6.904 -3.191 1.00 0.00 C ATOM 767 O ALA A 185 5.241 5.896 -3.080 1.00 0.00 O ATOM 768 CB ALA A 185 5.573 9.184 -3.137 1.00 0.00 C ATOM 0 H ALA A 185 3.680 9.565 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 185 5.817 7.740 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.388 8.786 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.945 10.002 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.782 9.553 -2.484 1.00 0.00 H new ATOM 774 N THR A 186 3.351 7.037 -2.628 1.00 0.00 N ATOM 775 CA THR A 186 2.771 5.998 -1.787 1.00 0.00 C ATOM 776 C THR A 186 2.648 4.689 -2.548 1.00 0.00 C ATOM 777 O THR A 186 3.002 3.629 -2.037 1.00 0.00 O ATOM 778 CB THR A 186 1.373 6.396 -1.290 1.00 0.00 C ATOM 779 OG1 THR A 186 1.376 7.738 -0.802 1.00 0.00 O ATOM 780 CG2 THR A 186 0.904 5.455 -0.191 1.00 0.00 C ATOM 0 H THR A 186 2.761 7.861 -2.741 1.00 0.00 H new ATOM 0 HA THR A 186 3.440 5.873 -0.936 1.00 0.00 H new ATOM 0 HB THR A 186 0.686 6.325 -2.133 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.384 8.361 -1.558 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.088 5.755 0.146 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.863 4.436 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.600 5.498 0.646 1.00 0.00 H new ATOM 788 N GLU A 187 2.141 4.779 -3.769 1.00 0.00 N ATOM 789 CA GLU A 187 1.943 3.609 -4.611 1.00 0.00 C ATOM 790 C GLU A 187 3.236 2.819 -4.734 1.00 0.00 C ATOM 791 O GLU A 187 3.265 1.608 -4.518 1.00 0.00 O ATOM 792 CB GLU A 187 1.496 4.034 -6.003 1.00 0.00 C ATOM 793 CG GLU A 187 0.330 5.010 -6.019 1.00 0.00 C ATOM 794 CD GLU A 187 -0.106 5.354 -7.428 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.142 4.827 -7.887 1.00 0.00 O ATOM 796 OE2 GLU A 187 0.600 6.131 -8.100 1.00 0.00 O ATOM 0 H GLU A 187 1.857 5.658 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 187 1.177 2.986 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 187 2.341 4.489 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 187 1.217 3.145 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.510 4.579 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 187 0.614 5.923 -5.495 1.00 0.00 H new ATOM 804 N THR A 188 4.304 3.526 -5.069 1.00 0.00 N ATOM 805 CA THR A 188 5.588 2.908 -5.287 1.00 0.00 C ATOM 806 C THR A 188 6.214 2.433 -3.975 1.00 0.00 C ATOM 807 O THR A 188 6.599 1.273 -3.856 1.00 0.00 O ATOM 808 CB THR A 188 6.534 3.893 -5.989 1.00 0.00 C ATOM 809 OG1 THR A 188 5.794 4.684 -6.931 1.00 0.00 O ATOM 810 CG2 THR A 188 7.625 3.142 -6.720 1.00 0.00 C ATOM 0 H THR A 188 4.298 4.538 -5.195 1.00 0.00 H new ATOM 0 HA THR A 188 5.433 2.035 -5.921 1.00 0.00 H new ATOM 0 HB THR A 188 6.986 4.540 -5.237 1.00 0.00 H new ATOM 0 HG1 THR A 188 6.399 5.313 -7.377 1.00 0.00 H new ATOM 0 HG21 THR A 188 8.288 3.853 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 188 8.196 2.546 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 188 7.178 2.485 -7.466 1.00 0.00 H new ATOM 818 N LEU A 189 6.283 3.328 -2.988 1.00 0.00 N ATOM 819 CA LEU A 189 6.942 3.036 -1.712 1.00 0.00 C ATOM 820 C LEU A 189 6.304 1.842 -1.010 1.00 0.00 C ATOM 821 O LEU A 189 7.006 1.003 -0.450 1.00 0.00 O ATOM 822 CB LEU A 189 6.888 4.254 -0.784 1.00 0.00 C ATOM 823 CG LEU A 189 7.648 5.488 -1.271 1.00 0.00 C ATOM 824 CD1 LEU A 189 7.374 6.668 -0.353 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.142 5.209 -1.341 1.00 0.00 C ATOM 0 H LEU A 189 5.888 4.267 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 189 7.981 2.793 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 189 5.844 4.528 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.285 3.965 0.189 1.00 0.00 H new ATOM 0 HG LEU A 189 7.299 5.733 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 189 7.921 7.541 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 189 6.306 6.885 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 189 7.699 6.425 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.663 6.101 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.508 4.939 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.327 4.387 -2.033 1.00 0.00 H new ATOM 837 N LEU A 190 4.977 1.776 -1.057 1.00 0.00 N ATOM 838 CA LEU A 190 4.223 0.716 -0.393 1.00 0.00 C ATOM 839 C LEU A 190 4.749 -0.661 -0.790 1.00 0.00 C ATOM 840 O LEU A 190 5.071 -1.490 0.061 1.00 0.00 O ATOM 841 CB LEU A 190 2.741 0.826 -0.763 1.00 0.00 C ATOM 842 CG LEU A 190 1.802 -0.083 0.021 1.00 0.00 C ATOM 843 CD1 LEU A 190 1.731 0.362 1.471 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.418 -0.090 -0.611 1.00 0.00 C ATOM 0 H LEU A 190 4.396 2.451 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 190 4.343 0.834 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.424 1.859 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.632 0.604 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 190 2.193 -1.100 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.057 -0.295 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 190 2.725 0.316 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 190 1.359 1.386 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -0.240 -0.744 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.013 0.922 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.488 -0.453 -1.636 1.00 0.00 H new ATOM 856 N VAL A 191 4.840 -0.887 -2.090 1.00 0.00 N ATOM 857 CA VAL A 191 5.298 -2.164 -2.615 1.00 0.00 C ATOM 858 C VAL A 191 6.823 -2.267 -2.555 1.00 0.00 C ATOM 859 O VAL A 191 7.372 -3.316 -2.221 1.00 0.00 O ATOM 860 CB VAL A 191 4.822 -2.367 -4.071 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.200 -3.750 -4.579 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.319 -2.145 -4.178 1.00 0.00 C ATOM 0 H VAL A 191 4.602 -0.200 -2.805 1.00 0.00 H new ATOM 0 HA VAL A 191 4.867 -2.946 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 191 5.324 -1.630 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.854 -3.868 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.283 -3.866 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.734 -4.509 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.002 -2.292 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.800 -2.855 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.078 -1.129 -3.866 1.00 0.00 H new ATOM 872 N GLN A 192 7.494 -1.162 -2.865 1.00 0.00 N ATOM 873 CA GLN A 192 8.948 -1.120 -2.945 1.00 0.00 C ATOM 874 C GLN A 192 9.603 -1.436 -1.601 1.00 0.00 C ATOM 875 O GLN A 192 10.583 -2.180 -1.537 1.00 0.00 O ATOM 876 CB GLN A 192 9.382 0.270 -3.400 1.00 0.00 C ATOM 877 CG GLN A 192 10.846 0.364 -3.757 1.00 0.00 C ATOM 878 CD GLN A 192 11.308 1.791 -3.984 1.00 0.00 C ATOM 879 OE1 GLN A 192 10.738 2.725 -3.239 1.00 0.00 O flip ATOM 880 NE2 GLN A 192 12.191 2.051 -4.802 1.00 0.00 N flip ATOM 0 H GLN A 192 7.043 -0.270 -3.068 1.00 0.00 H new ATOM 0 HA GLN A 192 9.268 -1.879 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 192 8.787 0.561 -4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.164 0.986 -2.608 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.439 -0.082 -2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.033 -0.221 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 192 12.607 1.304 -5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 192 12.507 3.013 -4.923 1.00 0.00 H new ATOM 889 N ASN A 193 9.058 -0.860 -0.538 1.00 0.00 N ATOM 890 CA ASN A 193 9.657 -0.971 0.788 1.00 0.00 C ATOM 891 C ASN A 193 9.244 -2.271 1.469 1.00 0.00 C ATOM 892 O ASN A 193 9.764 -2.618 2.535 1.00 0.00 O ATOM 893 CB ASN A 193 9.261 0.232 1.655 1.00 0.00 C ATOM 894 CG ASN A 193 9.850 1.543 1.153 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.130 1.705 -0.037 1.00 0.00 O ATOM 896 ND2 ASN A 193 10.023 2.500 2.052 1.00 0.00 N ATOM 0 H ASN A 193 8.200 -0.309 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 193 10.740 -0.979 0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.174 0.314 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.591 0.060 2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 193 10.398 3.405 1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 193 9.781 2.332 3.029 1.00 0.00 H new ATOM 903 N ALA A 194 8.299 -2.974 0.859 1.00 0.00 N ATOM 904 CA ALA A 194 7.890 -4.290 1.331 1.00 0.00 C ATOM 905 C ALA A 194 8.931 -5.338 0.944 1.00 0.00 C ATOM 906 O ALA A 194 9.625 -5.194 -0.064 1.00 0.00 O ATOM 907 CB ALA A 194 6.527 -4.651 0.755 1.00 0.00 C ATOM 0 H ALA A 194 7.798 -2.652 0.031 1.00 0.00 H new ATOM 0 HA ALA A 194 7.813 -4.267 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.230 -5.637 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.791 -3.912 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.584 -4.663 -0.333 1.00 0.00 H new ATOM 913 N ASN A 195 9.051 -6.382 1.759 1.00 0.00 N ATOM 914 CA ASN A 195 10.022 -7.450 1.503 1.00 0.00 C ATOM 915 C ASN A 195 9.641 -8.238 0.254 1.00 0.00 C ATOM 916 O ASN A 195 8.466 -8.281 -0.098 1.00 0.00 O ATOM 917 CB ASN A 195 10.123 -8.419 2.687 1.00 0.00 C ATOM 918 CG ASN A 195 10.347 -7.727 4.011 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.476 -7.382 4.364 1.00 0.00 O ATOM 920 ND2 ASN A 195 9.279 -7.571 4.775 1.00 0.00 N ATOM 0 H ASN A 195 8.491 -6.514 2.601 1.00 0.00 H new ATOM 0 HA ASN A 195 10.990 -6.970 1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 195 9.208 -9.008 2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.941 -9.117 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 195 9.370 -7.150 5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.364 -7.872 4.440 1.00 0.00 H new ATOM 927 N PRO A 196 10.610 -8.880 -0.424 1.00 0.00 N ATOM 928 CA PRO A 196 10.365 -9.600 -1.682 1.00 0.00 C ATOM 929 C PRO A 196 9.183 -10.564 -1.586 1.00 0.00 C ATOM 930 O PRO A 196 8.339 -10.623 -2.487 1.00 0.00 O ATOM 931 CB PRO A 196 11.673 -10.368 -1.934 1.00 0.00 C ATOM 932 CG PRO A 196 12.471 -10.236 -0.679 1.00 0.00 C ATOM 933 CD PRO A 196 12.018 -8.966 -0.026 1.00 0.00 C ATOM 0 HA PRO A 196 10.104 -8.915 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.474 -11.415 -2.162 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.212 -9.953 -2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.308 -11.091 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.538 -10.202 -0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.130 -9.006 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.590 -8.106 -0.374 1.00 0.00 H new ATOM 941 N ASP A 197 9.112 -11.287 -0.473 1.00 0.00 N ATOM 942 CA ASP A 197 8.044 -12.249 -0.238 1.00 0.00 C ATOM 943 C ASP A 197 6.677 -11.570 -0.264 1.00 0.00 C ATOM 944 O ASP A 197 5.768 -12.017 -0.963 1.00 0.00 O ATOM 945 CB ASP A 197 8.268 -12.969 1.098 1.00 0.00 C ATOM 946 CG ASP A 197 8.423 -12.023 2.275 1.00 0.00 C ATOM 947 OD1 ASP A 197 9.533 -11.485 2.464 1.00 0.00 O ATOM 948 OD2 ASP A 197 7.440 -11.818 3.020 1.00 0.00 O ATOM 0 H ASP A 197 9.790 -11.223 0.287 1.00 0.00 H new ATOM 0 HA ASP A 197 8.063 -12.986 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 197 7.428 -13.638 1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 197 9.160 -13.591 1.022 1.00 0.00 H new ATOM 954 N CYS A 198 6.550 -10.471 0.468 1.00 0.00 N ATOM 955 CA CYS A 198 5.305 -9.717 0.519 1.00 0.00 C ATOM 956 C CYS A 198 5.052 -9.034 -0.824 1.00 0.00 C ATOM 957 O CYS A 198 3.937 -9.042 -1.343 1.00 0.00 O ATOM 958 CB CYS A 198 5.377 -8.678 1.646 1.00 0.00 C ATOM 959 SG CYS A 198 3.859 -7.732 1.906 1.00 0.00 S ATOM 0 H CYS A 198 7.300 -10.080 1.038 1.00 0.00 H new ATOM 0 HA CYS A 198 4.478 -10.398 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 198 5.634 -9.188 2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 198 6.188 -7.983 1.429 1.00 0.00 H new ATOM 0 HG CYS A 198 4.113 -6.703 2.659 1.00 0.00 H new ATOM 965 N LYS A 199 6.119 -8.476 -1.385 1.00 0.00 N ATOM 966 CA LYS A 199 6.071 -7.764 -2.657 1.00 0.00 C ATOM 967 C LYS A 199 5.488 -8.647 -3.761 1.00 0.00 C ATOM 968 O LYS A 199 4.684 -8.190 -4.575 1.00 0.00 O ATOM 969 CB LYS A 199 7.486 -7.311 -3.028 1.00 0.00 C ATOM 970 CG LYS A 199 7.556 -6.392 -4.236 1.00 0.00 C ATOM 971 CD LYS A 199 8.978 -5.910 -4.483 1.00 0.00 C ATOM 972 CE LYS A 199 9.551 -5.215 -3.255 1.00 0.00 C ATOM 973 NZ LYS A 199 10.933 -4.721 -3.483 1.00 0.00 N ATOM 0 H LYS A 199 7.049 -8.505 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 199 5.421 -6.895 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.926 -6.800 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.097 -8.192 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.190 -6.918 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.901 -5.535 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.609 -6.757 -4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 199 8.989 -5.224 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 199 8.909 -4.378 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.549 -5.908 -2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.099 -3.875 -2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.614 -5.461 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.055 -4.481 -4.488 1.00 0.00 H new ATOM 987 N THR A 200 5.892 -9.912 -3.776 1.00 0.00 N ATOM 988 CA THR A 200 5.399 -10.868 -4.757 1.00 0.00 C ATOM 989 C THR A 200 3.890 -11.061 -4.612 1.00 0.00 C ATOM 990 O THR A 200 3.149 -11.022 -5.598 1.00 0.00 O ATOM 991 CB THR A 200 6.111 -12.231 -4.606 1.00 0.00 C ATOM 992 OG1 THR A 200 7.531 -12.051 -4.691 1.00 0.00 O ATOM 993 CG2 THR A 200 5.660 -13.211 -5.680 1.00 0.00 C ATOM 0 H THR A 200 6.564 -10.300 -3.114 1.00 0.00 H new ATOM 0 HA THR A 200 5.614 -10.466 -5.747 1.00 0.00 H new ATOM 0 HB THR A 200 5.847 -12.642 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.850 -11.583 -3.891 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.179 -14.160 -5.547 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.585 -13.370 -5.599 1.00 0.00 H new ATOM 0 HG23 THR A 200 5.893 -12.805 -6.664 1.00 0.00 H new ATOM 1001 N ILE A 201 3.444 -11.239 -3.373 1.00 0.00 N ATOM 1002 CA ILE A 201 2.030 -11.447 -3.086 1.00 0.00 C ATOM 1003 C ILE A 201 1.217 -10.211 -3.466 1.00 0.00 C ATOM 1004 O ILE A 201 0.119 -10.318 -4.013 1.00 0.00 O ATOM 1005 CB ILE A 201 1.805 -11.777 -1.594 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.675 -12.966 -1.179 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.335 -12.076 -1.328 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.598 -13.290 0.296 1.00 0.00 C ATOM 0 H ILE A 201 4.045 -11.243 -2.549 1.00 0.00 H new ATOM 0 HA ILE A 201 1.695 -12.295 -3.683 1.00 0.00 H new ATOM 0 HB ILE A 201 2.092 -10.909 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.373 -13.843 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.712 -12.756 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.196 -12.306 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.267 -11.206 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.023 -12.930 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.240 -14.143 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.929 -12.428 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.569 -13.533 0.562 1.00 0.00 H new ATOM 1020 N LEU A 202 1.777 -9.037 -3.193 1.00 0.00 N ATOM 1021 CA LEU A 202 1.119 -7.777 -3.520 1.00 0.00 C ATOM 1022 C LEU A 202 0.952 -7.627 -5.031 1.00 0.00 C ATOM 1023 O LEU A 202 -0.072 -7.138 -5.506 1.00 0.00 O ATOM 1024 CB LEU A 202 1.914 -6.595 -2.961 1.00 0.00 C ATOM 1025 CG LEU A 202 2.163 -6.633 -1.449 1.00 0.00 C ATOM 1026 CD1 LEU A 202 2.978 -5.427 -1.009 1.00 0.00 C ATOM 1027 CD2 LEU A 202 0.851 -6.699 -0.685 1.00 0.00 C ATOM 0 H LEU A 202 2.687 -8.932 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 202 0.130 -7.785 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 202 2.877 -6.552 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.383 -5.674 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 202 2.733 -7.534 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.144 -5.473 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 202 3.938 -5.429 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.437 -4.513 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.054 -6.725 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.249 -5.821 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.307 -7.599 -0.973 1.00 0.00 H new ATOM 1039 N LYS A 203 1.958 -8.061 -5.785 1.00 0.00 N ATOM 1040 CA LYS A 203 1.896 -7.999 -7.243 1.00 0.00 C ATOM 1041 C LYS A 203 0.884 -9.001 -7.791 1.00 0.00 C ATOM 1042 O LYS A 203 0.256 -8.758 -8.825 1.00 0.00 O ATOM 1043 CB LYS A 203 3.274 -8.256 -7.855 1.00 0.00 C ATOM 1044 CG LYS A 203 4.256 -7.108 -7.673 1.00 0.00 C ATOM 1045 CD LYS A 203 3.710 -5.816 -8.262 1.00 0.00 C ATOM 1046 CE LYS A 203 4.778 -4.735 -8.351 1.00 0.00 C ATOM 1047 NZ LYS A 203 5.865 -5.105 -9.298 1.00 0.00 N ATOM 0 H LYS A 203 2.821 -8.457 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 203 1.572 -6.996 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.696 -9.156 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.156 -8.454 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.463 -6.968 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.203 -7.357 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 203 3.308 -6.012 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 203 2.883 -5.459 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 203 4.321 -3.799 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 203 5.202 -4.561 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 6.408 -4.255 -9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 6.497 -5.798 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 5.451 -5.521 -10.157 1.00 0.00 H new ATOM 1061 N ALA A 204 0.733 -10.124 -7.097 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.253 -11.130 -7.474 1.00 0.00 C ATOM 1063 C ALA A 204 -1.663 -10.573 -7.317 1.00 0.00 C ATOM 1064 O ALA A 204 -2.572 -10.925 -8.069 1.00 0.00 O ATOM 1065 CB ALA A 204 -0.074 -12.389 -6.638 1.00 0.00 C ATOM 0 H ALA A 204 1.281 -10.360 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.102 -11.392 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.818 -13.130 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.925 -12.794 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 204 -0.201 -12.146 -5.583 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.829 -9.698 -6.333 1.00 0.00 N ATOM 1072 CA LEU A 205 -3.089 -8.992 -6.131 1.00 0.00 C ATOM 1073 C LEU A 205 -3.303 -7.969 -7.239 1.00 0.00 C ATOM 1074 O LEU A 205 -4.353 -7.939 -7.883 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.088 -8.286 -4.775 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.070 -9.202 -3.557 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -2.645 -8.423 -2.328 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -4.443 -9.822 -3.339 1.00 0.00 C ATOM 0 H LEU A 205 -1.102 -9.459 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.900 -9.720 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.219 -7.630 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.971 -7.650 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 205 -2.352 -10.004 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -2.635 -9.086 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -1.647 -8.014 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -3.347 -7.608 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -4.414 -10.473 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -5.177 -9.033 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -4.723 -10.405 -4.217 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.290 -7.145 -7.462 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.371 -6.126 -8.482 1.00 0.00 C ATOM 1092 C GLY A 206 -2.625 -4.753 -7.898 1.00 0.00 C ATOM 1093 O GLY A 206 -3.164 -4.635 -6.798 1.00 0.00 O ATOM 0 H GLY A 206 -1.408 -7.166 -6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.442 -6.110 -9.052 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.170 -6.376 -9.180 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.247 -3.689 -8.619 1.00 0.00 N ATOM 1098 CA PRO A 207 -2.421 -2.311 -8.151 1.00 0.00 C ATOM 1099 C PRO A 207 -3.870 -1.835 -8.252 1.00 0.00 C ATOM 1100 O PRO A 207 -4.195 -0.712 -7.872 1.00 0.00 O ATOM 1101 CB PRO A 207 -1.527 -1.510 -9.096 1.00 0.00 C ATOM 1102 CG PRO A 207 -1.503 -2.304 -10.357 1.00 0.00 C ATOM 1103 CD PRO A 207 -1.609 -3.748 -9.949 1.00 0.00 C ATOM 0 HA PRO A 207 -2.165 -2.201 -7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -1.925 -0.510 -9.265 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -0.525 -1.389 -8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.330 -2.023 -11.009 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -0.583 -2.124 -10.913 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.209 -4.321 -10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -0.630 -4.224 -9.903 1.00 0.00 H new ATOM 1111 N ALA A 208 -4.734 -2.698 -8.768 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.150 -2.383 -8.904 1.00 0.00 C ATOM 1113 C ALA A 208 -6.935 -2.906 -7.706 1.00 0.00 C ATOM 1114 O ALA A 208 -8.163 -2.782 -7.645 1.00 0.00 O ATOM 1115 CB ALA A 208 -6.696 -2.968 -10.198 1.00 0.00 C ATOM 0 H ALA A 208 -4.477 -3.627 -9.101 1.00 0.00 H new ATOM 0 HA ALA A 208 -6.263 -1.299 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -7.755 -2.726 -10.288 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.154 -2.547 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -6.571 -4.051 -10.189 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.218 -3.500 -6.764 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.818 -4.025 -5.547 1.00 0.00 C ATOM 1123 C ALA A 209 -6.783 -2.967 -4.445 1.00 0.00 C ATOM 1124 O ALA A 209 -6.222 -1.887 -4.630 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.087 -5.288 -5.118 1.00 0.00 C ATOM 0 H ALA A 209 -5.208 -3.631 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 209 -7.861 -4.279 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.539 -5.678 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.159 -6.036 -5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.038 -5.056 -4.932 1.00 0.00 H new ATOM 1131 N THR A 210 -7.376 -3.275 -3.299 1.00 0.00 N ATOM 1132 CA THR A 210 -7.519 -2.291 -2.237 1.00 0.00 C ATOM 1133 C THR A 210 -6.527 -2.528 -1.108 1.00 0.00 C ATOM 1134 O THR A 210 -5.993 -3.628 -0.976 1.00 0.00 O ATOM 1135 CB THR A 210 -8.945 -2.299 -1.659 1.00 0.00 C ATOM 1136 OG1 THR A 210 -9.272 -3.611 -1.176 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.956 -1.884 -2.712 1.00 0.00 C ATOM 0 H THR A 210 -7.763 -4.193 -3.083 1.00 0.00 H new ATOM 0 HA THR A 210 -7.314 -1.319 -2.687 1.00 0.00 H new ATOM 0 HB THR A 210 -8.982 -1.586 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 210 -9.298 -4.239 -1.928 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.957 -1.897 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.725 -0.878 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 210 -9.913 -2.579 -3.551 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.295 -1.505 -0.289 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.369 -1.611 0.837 1.00 0.00 C ATOM 1147 C LEU A 211 -5.679 -2.834 1.696 1.00 0.00 C ATOM 1148 O LEU A 211 -4.774 -3.569 2.096 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.449 -0.351 1.693 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.478 -0.301 2.867 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -3.045 -0.204 2.373 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.818 0.865 3.774 1.00 0.00 C ATOM 0 H LEU A 211 -6.737 -0.591 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.361 -1.721 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.268 0.514 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.464 -0.256 2.078 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.573 -1.223 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.368 -0.169 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.812 -1.074 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.926 0.702 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.119 0.892 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.748 1.796 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.833 0.747 4.154 1.00 0.00 H new ATOM 1164 N GLU A 212 -6.966 -3.050 1.949 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.434 -4.173 2.745 1.00 0.00 C ATOM 1166 C GLU A 212 -6.892 -5.490 2.194 1.00 0.00 C ATOM 1167 O GLU A 212 -6.411 -6.339 2.945 1.00 0.00 O ATOM 1168 CB GLU A 212 -8.963 -4.183 2.735 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.586 -5.325 3.512 1.00 0.00 C ATOM 1170 CD GLU A 212 -9.360 -5.218 5.006 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -9.899 -4.280 5.625 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -8.661 -6.080 5.572 1.00 0.00 O ATOM 0 H GLU A 212 -7.714 -2.448 1.605 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.073 -4.065 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.323 -3.240 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.307 -4.232 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -10.657 -5.350 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.173 -6.268 3.154 1.00 0.00 H new ATOM 1180 N GLU A 213 -6.947 -5.636 0.875 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.476 -6.848 0.219 1.00 0.00 C ATOM 1182 C GLU A 213 -4.968 -7.032 0.410 1.00 0.00 C ATOM 1183 O GLU A 213 -4.491 -8.155 0.579 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.849 -6.814 -1.262 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.352 -6.853 -1.486 1.00 0.00 C ATOM 1186 CD GLU A 213 -8.741 -6.629 -2.930 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -8.969 -5.460 -3.305 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -8.836 -7.620 -3.685 1.00 0.00 O ATOM 0 H GLU A 213 -7.314 -4.928 0.239 1.00 0.00 H new ATOM 0 HA GLU A 213 -6.964 -7.707 0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.441 -5.911 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.387 -7.661 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.738 -7.818 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.826 -6.092 -0.866 1.00 0.00 H new ATOM 1196 N MET A 214 -4.223 -5.927 0.409 1.00 0.00 N ATOM 1197 CA MET A 214 -2.779 -5.976 0.652 1.00 0.00 C ATOM 1198 C MET A 214 -2.489 -6.430 2.081 1.00 0.00 C ATOM 1199 O MET A 214 -1.587 -7.233 2.324 1.00 0.00 O ATOM 1200 CB MET A 214 -2.119 -4.605 0.429 1.00 0.00 C ATOM 1201 CG MET A 214 -1.723 -4.291 -1.009 1.00 0.00 C ATOM 1202 SD MET A 214 -3.068 -3.617 -1.998 1.00 0.00 S ATOM 1203 CE MET A 214 -3.801 -5.120 -2.629 1.00 0.00 C ATOM 0 H MET A 214 -4.592 -4.991 0.244 1.00 0.00 H new ATOM 0 HA MET A 214 -2.362 -6.690 -0.059 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.804 -3.831 0.775 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.228 -4.545 1.054 1.00 0.00 H new ATOM 0 HG2 MET A 214 -0.897 -3.580 -1.002 1.00 0.00 H new ATOM 0 HG3 MET A 214 -1.356 -5.201 -1.483 1.00 0.00 H new ATOM 0 HE1 MET A 214 -4.865 -4.960 -2.804 1.00 0.00 H new ATOM 0 HE2 MET A 214 -3.317 -5.395 -3.566 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.669 -5.922 -1.903 1.00 0.00 H new ATOM 1213 N MET A 215 -3.273 -5.912 3.021 1.00 0.00 N ATOM 1214 CA MET A 215 -3.057 -6.179 4.440 1.00 0.00 C ATOM 1215 C MET A 215 -3.364 -7.636 4.779 1.00 0.00 C ATOM 1216 O MET A 215 -2.635 -8.270 5.547 1.00 0.00 O ATOM 1217 CB MET A 215 -3.914 -5.240 5.297 1.00 0.00 C ATOM 1218 CG MET A 215 -3.707 -3.768 4.973 1.00 0.00 C ATOM 1219 SD MET A 215 -4.669 -2.664 6.029 1.00 0.00 S ATOM 1220 CE MET A 215 -3.748 -2.776 7.560 1.00 0.00 C ATOM 0 H MET A 215 -4.067 -5.302 2.825 1.00 0.00 H new ATOM 0 HA MET A 215 -2.006 -5.995 4.661 1.00 0.00 H new ATOM 0 HB2 MET A 215 -4.965 -5.491 5.157 1.00 0.00 H new ATOM 0 HB3 MET A 215 -3.684 -5.409 6.349 1.00 0.00 H new ATOM 0 HG2 MET A 215 -2.649 -3.526 5.074 1.00 0.00 H new ATOM 0 HG3 MET A 215 -3.977 -3.591 3.932 1.00 0.00 H new ATOM 0 HE1 MET A 215 -4.219 -2.147 8.315 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.738 -3.810 7.904 1.00 0.00 H new ATOM 0 HE3 MET A 215 -2.725 -2.439 7.394 1.00 0.00 H new ATOM 1230 N THR A 216 -4.434 -8.161 4.195 1.00 0.00 N ATOM 1231 CA THR A 216 -4.824 -9.553 4.406 1.00 0.00 C ATOM 1232 C THR A 216 -3.802 -10.506 3.778 1.00 0.00 C ATOM 1233 O THR A 216 -3.574 -11.610 4.278 1.00 0.00 O ATOM 1234 CB THR A 216 -6.220 -9.831 3.809 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.166 -8.882 4.317 1.00 0.00 O ATOM 1236 CG2 THR A 216 -6.692 -11.241 4.137 1.00 0.00 C ATOM 0 H THR A 216 -5.050 -7.643 3.569 1.00 0.00 H new ATOM 0 HA THR A 216 -4.858 -9.725 5.482 1.00 0.00 H new ATOM 0 HB THR A 216 -6.146 -9.736 2.726 1.00 0.00 H new ATOM 0 HG1 THR A 216 -6.994 -8.003 3.919 1.00 0.00 H new ATOM 0 HG21 THR A 216 -7.678 -11.405 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 216 -5.989 -11.965 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 216 -6.747 -11.364 5.219 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.174 -10.060 2.697 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.192 -10.868 1.988 1.00 0.00 C ATOM 1246 C ALA A 217 -1.061 -11.303 2.909 1.00 0.00 C ATOM 1247 O ALA A 217 -0.680 -12.474 2.934 1.00 0.00 O ATOM 1248 CB ALA A 217 -1.639 -10.094 0.808 1.00 0.00 C ATOM 0 H ALA A 217 -3.329 -9.137 2.291 1.00 0.00 H new ATOM 0 HA ALA A 217 -2.692 -11.767 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -0.905 -10.706 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -2.451 -9.838 0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -1.162 -9.180 1.163 1.00 0.00 H new ATOM 1254 N CYS A 218 -0.549 -10.363 3.685 1.00 0.00 N ATOM 1255 CA CYS A 218 0.584 -10.630 4.554 1.00 0.00 C ATOM 1256 C CYS A 218 0.134 -11.248 5.880 1.00 0.00 C ATOM 1257 O CYS A 218 0.938 -11.844 6.595 1.00 0.00 O ATOM 1258 CB CYS A 218 1.363 -9.334 4.802 1.00 0.00 C ATOM 1259 SG CYS A 218 2.894 -9.536 5.751 1.00 0.00 S ATOM 0 H CYS A 218 -0.901 -9.407 3.731 1.00 0.00 H new ATOM 0 HA CYS A 218 1.235 -11.350 4.059 1.00 0.00 H new ATOM 0 HB2 CYS A 218 1.606 -8.883 3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 218 0.716 -8.633 5.329 1.00 0.00 H new ATOM 0 HG CYS A 218 2.788 -10.572 6.530 1.00 0.00 H new ATOM 1472 N THR B 2 -1.842 4.037 -2.851 1.00 0.00 N ATOM 1473 CA THR B 2 -1.682 5.499 -2.844 1.00 0.00 C ATOM 1474 C THR B 2 -2.105 6.067 -1.474 1.00 0.00 C ATOM 1475 O THR B 2 -2.619 5.340 -0.618 1.00 0.00 O ATOM 1476 CB THR B 2 -2.426 6.240 -4.007 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.466 7.081 -3.492 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.024 5.288 -5.037 1.00 0.00 C ATOM 0 HA THR B 2 -0.623 5.688 -3.019 1.00 0.00 H new ATOM 0 HB THR B 2 -1.668 6.842 -4.509 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.917 7.535 -4.234 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.525 5.863 -5.816 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.230 4.689 -5.482 1.00 0.00 H new ATOM 0 HG23 THR B 2 -3.745 4.631 -4.550 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.851 7.338 -1.227 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.216 7.926 0.054 1.00 0.00 C ATOM 1488 C PHE B 3 -3.733 8.074 0.168 1.00 0.00 C ATOM 1489 O PHE B 3 -4.293 7.945 1.260 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.531 9.277 0.253 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.673 9.805 1.651 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.187 9.079 2.726 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -2.294 11.018 1.891 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.315 9.552 4.013 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -2.425 11.497 3.181 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.935 10.762 4.242 1.00 0.00 C ATOM 0 H PHE B 3 -1.401 7.977 -1.882 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.874 7.253 0.841 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.472 9.180 0.013 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.952 9.999 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -0.702 8.130 2.553 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -2.680 11.595 1.064 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -0.930 8.976 4.842 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.910 12.445 3.359 1.00 0.00 H new ATOM 0 HZ PHE B 3 -2.037 11.135 5.251 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.267 6.171 -0.858 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.940 4.956 -0.381 1.00 0.00 C ATOM 1528 C ASP B 5 -6.633 4.727 1.091 1.00 0.00 C ATOM 1529 O ASP B 5 -7.477 4.249 1.839 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.519 3.735 -1.210 1.00 0.00 C ATOM 1531 CG ASP B 5 -7.284 2.469 -0.870 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -8.520 2.457 -1.027 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -6.632 1.466 -0.502 1.00 0.00 O ATOM 0 HA ASP B 5 -8.015 5.093 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -6.659 3.960 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -5.454 3.556 -1.061 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.424 5.093 1.500 1.00 0.00 N ATOM 1540 CA LEU B 6 -5.030 5.009 2.900 1.00 0.00 C ATOM 1541 C LEU B 6 -5.978 5.834 3.764 1.00 0.00 C ATOM 1542 O LEU B 6 -6.486 5.363 4.783 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.597 5.520 3.084 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.600 4.497 3.623 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.167 3.836 4.864 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.259 3.466 2.559 1.00 0.00 C ATOM 0 H LEU B 6 -4.698 5.452 0.880 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.078 3.964 3.208 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.233 5.885 2.123 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.618 6.373 3.762 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.676 5.008 3.893 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.453 3.106 5.246 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.355 4.593 5.626 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.101 3.333 4.614 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.547 2.747 2.964 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.166 2.945 2.253 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.819 3.966 1.696 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.216 7.066 3.339 1.00 0.00 N ATOM 1559 CA LEU B 7 -7.123 7.961 4.039 1.00 0.00 C ATOM 1560 C LEU B 7 -8.544 7.411 4.045 1.00 0.00 C ATOM 1561 O LEU B 7 -9.159 7.269 5.105 1.00 0.00 O ATOM 1562 CB LEU B 7 -7.127 9.337 3.377 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.905 10.213 3.674 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.959 11.501 2.869 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.822 10.535 5.161 1.00 0.00 C ATOM 0 H LEU B 7 -5.789 7.470 2.506 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.772 8.046 5.067 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.203 9.202 2.298 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -8.022 9.872 3.695 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.014 9.655 3.385 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.082 12.108 3.095 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.973 11.265 1.805 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.861 12.055 3.129 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.948 11.158 5.350 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.721 11.069 5.468 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.738 9.609 5.730 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.753 4.516 3.419 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.900 3.235 4.100 1.00 0.00 C ATOM 1599 C TYR B 9 -10.141 3.441 5.590 1.00 0.00 C ATOM 1600 O TYR B 9 -11.110 2.928 6.153 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.658 2.361 3.898 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.678 1.094 4.722 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -9.552 0.060 4.415 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.840 0.942 5.819 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -9.586 -1.091 5.174 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.871 -0.204 6.586 1.00 0.00 C ATOM 1607 CZ TYR B 9 -8.745 -1.219 6.259 1.00 0.00 C ATOM 1608 OH TYR B 9 -8.792 -2.357 7.028 1.00 0.00 O ATOM 0 HA TYR B 9 -10.762 2.728 3.666 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.574 2.099 2.843 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.770 2.939 4.154 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -10.216 0.158 3.569 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -7.153 1.734 6.076 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -10.268 -1.889 4.920 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -7.215 -0.306 7.438 1.00 0.00 H new ATOM 0 HH TYR B 9 -9.418 -2.996 6.629 1.00 0.00 H new ATOM 1618 N TYR B 10 -9.247 4.191 6.221 1.00 0.00 N ATOM 1619 CA TYR B 10 -9.342 4.456 7.647 1.00 0.00 C ATOM 1620 C TYR B 10 -10.530 5.356 7.958 1.00 0.00 C ATOM 1621 O TYR B 10 -11.162 5.218 9.007 1.00 0.00 O ATOM 1622 CB TYR B 10 -8.041 5.074 8.162 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.936 4.060 8.360 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -6.903 3.267 9.500 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.932 3.886 7.414 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -5.904 2.333 9.695 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.931 2.952 7.603 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.920 2.179 8.744 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.929 1.246 8.933 1.00 0.00 O ATOM 0 H TYR B 10 -8.446 4.627 5.764 1.00 0.00 H new ATOM 0 HA TYR B 10 -9.500 3.508 8.160 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.705 5.835 7.458 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -8.236 5.579 9.108 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -7.673 3.383 10.248 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.934 4.490 6.518 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.895 1.727 10.589 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -4.159 2.828 6.858 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.845 0.691 8.130 1.00 0.00 H new