USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 183 ASN : amide:sc= -0.434 X(o=-1.3,f=-1.3) USER MOD Set 1.2: B 2 THR OG1 : rot -160:sc= -0.839 USER MOD Set 2.1: A 215 MET CE :methyl -158:sc= -1.67 (180deg=-2.6!) USER MOD Set 2.2: B 9 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 198 CYS SG : rot 131:sc= 0.00587 USER MOD Set 3.2: A 218 CYS SG : rot 135:sc= -1.5! USER MOD Set 4.1: A 192 GLN : amide:sc= 1.01 K(o=1.9,f=0) USER MOD Set 4.2: A 193 ASN : amide:sc= 0.877 K(o=1.9,f=-0.61) USER MOD Single : A 155 GLN : amide:sc= 1.29 K(o=1.3,f=-5.6!) USER MOD Single : A 158 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0245) USER MOD Single : A 164 TYR OH : rot 177:sc= -1.56! USER MOD Single : A 169 TYR OH : rot 180:sc= 0.144 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 171 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 176 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.13) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 LYS NZ :NH3+ -165:sc= 1.05 (180deg=0.858) USER MOD Single : A 186 THR OG1 : rot 104:sc= 1.23 USER MOD Single : A 188 THR OG1 : rot 82:sc= 0.589 USER MOD Single : A 195 ASN : amide:sc= 0.0383 X(o=0.038,f=0) USER MOD Single : A 199 LYS NZ :NH3+ 162:sc= 0.301 (180deg=0.188) USER MOD Single : A 200 THR OG1 : rot 73:sc= 0.302 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 214 MET CE :methyl 174:sc= -0.706 (180deg=-0.874) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 102:sc= -2.06! USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.361 9.519 4.794 1.00 0.00 N ATOM 171 CA ILE A 150 8.711 8.237 4.528 1.00 0.00 C ATOM 172 C ILE A 150 9.703 7.243 3.912 1.00 0.00 C ATOM 173 O ILE A 150 9.469 6.035 3.888 1.00 0.00 O ATOM 174 CB ILE A 150 7.495 8.423 3.587 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.671 7.137 3.493 1.00 0.00 C ATOM 176 CG2 ILE A 150 7.943 8.869 2.201 1.00 0.00 C ATOM 177 CD1 ILE A 150 6.032 6.731 4.802 1.00 0.00 C ATOM 0 HA ILE A 150 8.359 7.836 5.479 1.00 0.00 H new ATOM 0 HB ILE A 150 6.863 9.203 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.891 7.269 2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 150 7.314 6.328 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 150 7.071 8.993 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.474 9.818 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.605 8.116 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.464 5.812 4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.808 6.566 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.363 7.522 5.141 1.00 0.00 H new ATOM 189 N LEU A 151 10.826 7.767 3.442 1.00 0.00 N ATOM 190 CA LEU A 151 11.865 6.955 2.819 1.00 0.00 C ATOM 191 C LEU A 151 12.533 6.028 3.831 1.00 0.00 C ATOM 192 O LEU A 151 13.178 5.049 3.455 1.00 0.00 O ATOM 193 CB LEU A 151 12.918 7.861 2.190 1.00 0.00 C ATOM 194 CG LEU A 151 12.393 8.840 1.140 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.517 9.733 0.638 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.749 8.087 -0.015 1.00 0.00 C ATOM 0 H LEU A 151 11.043 8.763 3.481 1.00 0.00 H new ATOM 0 HA LEU A 151 11.394 6.340 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.405 8.430 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.684 7.236 1.730 1.00 0.00 H new ATOM 0 HG LEU A 151 11.634 9.471 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 151 13.127 10.424 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 151 13.933 10.298 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 151 14.298 9.118 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 151 11.381 8.799 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.487 7.432 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.918 7.489 0.359 1.00 0.00 H new ATOM 208 N ASP A 152 12.394 6.347 5.114 1.00 0.00 N ATOM 209 CA ASP A 152 12.996 5.539 6.170 1.00 0.00 C ATOM 210 C ASP A 152 12.028 4.457 6.623 1.00 0.00 C ATOM 211 O ASP A 152 12.416 3.483 7.272 1.00 0.00 O ATOM 212 CB ASP A 152 13.393 6.414 7.363 1.00 0.00 C ATOM 213 CG ASP A 152 14.118 5.627 8.440 1.00 0.00 C ATOM 214 OD1 ASP A 152 15.321 5.339 8.257 1.00 0.00 O ATOM 215 OD2 ASP A 152 13.494 5.292 9.470 1.00 0.00 O ATOM 0 H ASP A 152 11.871 7.157 5.447 1.00 0.00 H new ATOM 0 HA ASP A 152 13.894 5.069 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 152 14.032 7.227 7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 152 12.500 6.870 7.789 1.00 0.00 H new ATOM 221 N ILE A 153 10.766 4.623 6.254 1.00 0.00 N ATOM 222 CA ILE A 153 9.723 3.704 6.688 1.00 0.00 C ATOM 223 C ILE A 153 9.762 2.423 5.858 1.00 0.00 C ATOM 224 O ILE A 153 8.979 2.233 4.927 1.00 0.00 O ATOM 225 CB ILE A 153 8.320 4.352 6.610 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.312 5.690 7.361 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.259 3.416 7.183 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.670 5.576 8.830 1.00 0.00 C ATOM 0 H ILE A 153 10.440 5.383 5.657 1.00 0.00 H new ATOM 0 HA ILE A 153 9.916 3.457 7.732 1.00 0.00 H new ATOM 0 HB ILE A 153 8.084 4.535 5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.014 6.370 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.322 6.138 7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.281 3.892 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.249 2.486 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.489 3.201 8.226 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.642 6.564 9.289 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.954 4.923 9.329 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.672 5.158 8.929 1.00 0.00 H new ATOM 240 N ARG A 154 10.706 1.561 6.197 1.00 0.00 N ATOM 241 CA ARG A 154 10.850 0.274 5.543 1.00 0.00 C ATOM 242 C ARG A 154 10.346 -0.827 6.461 1.00 0.00 C ATOM 243 O ARG A 154 10.680 -0.857 7.645 1.00 0.00 O ATOM 244 CB ARG A 154 12.313 0.028 5.177 1.00 0.00 C ATOM 245 CG ARG A 154 12.555 -1.319 4.518 1.00 0.00 C ATOM 246 CD ARG A 154 14.029 -1.561 4.267 1.00 0.00 C ATOM 247 NE ARG A 154 14.269 -2.897 3.726 1.00 0.00 N ATOM 248 CZ ARG A 154 15.259 -3.693 4.126 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.091 -3.304 5.084 1.00 0.00 N ATOM 250 NH2 ARG A 154 15.404 -4.891 3.578 1.00 0.00 N ATOM 0 H ARG A 154 11.392 1.734 6.932 1.00 0.00 H new ATOM 0 HA ARG A 154 10.259 0.272 4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.649 0.818 4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.921 0.097 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 154 12.159 -2.112 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.012 -1.365 3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.408 -0.812 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.582 -1.440 5.198 1.00 0.00 H new ATOM 0 HE ARG A 154 13.641 -3.240 2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 154 15.975 -2.389 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 154 16.847 -3.920 5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 154 14.758 -5.201 2.852 1.00 0.00 H new ATOM 0 HH22 ARG A 154 16.161 -5.503 3.882 1.00 0.00 H new ATOM 264 N GLN A 155 9.547 -1.725 5.900 1.00 0.00 N ATOM 265 CA GLN A 155 8.926 -2.804 6.659 1.00 0.00 C ATOM 266 C GLN A 155 9.975 -3.690 7.320 1.00 0.00 C ATOM 267 O GLN A 155 10.943 -4.110 6.678 1.00 0.00 O ATOM 268 CB GLN A 155 8.052 -3.655 5.735 1.00 0.00 C ATOM 269 CG GLN A 155 7.303 -4.767 6.452 1.00 0.00 C ATOM 270 CD GLN A 155 6.621 -5.721 5.493 1.00 0.00 C ATOM 271 OE1 GLN A 155 7.096 -5.943 4.380 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.518 -6.307 5.924 1.00 0.00 N ATOM 0 H GLN A 155 9.311 -1.727 4.908 1.00 0.00 H new ATOM 0 HA GLN A 155 8.312 -2.355 7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 155 7.331 -3.008 5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.679 -4.094 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.999 -5.324 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.557 -4.329 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.158 -6.095 6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 155 5.027 -6.972 5.326 1.00 0.00 H new ATOM 281 N GLY A 156 9.783 -3.964 8.604 1.00 0.00 N ATOM 282 CA GLY A 156 10.649 -4.892 9.297 1.00 0.00 C ATOM 283 C GLY A 156 10.441 -6.306 8.794 1.00 0.00 C ATOM 284 O GLY A 156 9.361 -6.622 8.292 1.00 0.00 O ATOM 0 H GLY A 156 9.042 -3.559 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.689 -4.600 9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.451 -4.850 10.368 1.00 0.00 H new ATOM 288 N PRO A 157 11.446 -7.185 8.917 1.00 0.00 N ATOM 289 CA PRO A 157 11.380 -8.549 8.377 1.00 0.00 C ATOM 290 C PRO A 157 10.179 -9.325 8.912 1.00 0.00 C ATOM 291 O PRO A 157 9.539 -10.090 8.187 1.00 0.00 O ATOM 292 CB PRO A 157 12.690 -9.196 8.851 1.00 0.00 C ATOM 293 CG PRO A 157 13.204 -8.307 9.933 1.00 0.00 C ATOM 294 CD PRO A 157 12.722 -6.926 9.600 1.00 0.00 C ATOM 0 HA PRO A 157 11.263 -8.548 7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.517 -10.206 9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 157 13.407 -9.275 8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.833 -8.625 10.908 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.293 -8.339 9.980 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.586 -6.318 10.494 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.425 -6.396 8.957 1.00 0.00 H new ATOM 302 N LYS A 158 9.868 -9.108 10.183 1.00 0.00 N ATOM 303 CA LYS A 158 8.748 -9.780 10.824 1.00 0.00 C ATOM 304 C LYS A 158 7.652 -8.777 11.167 1.00 0.00 C ATOM 305 O LYS A 158 6.760 -9.064 11.966 1.00 0.00 O ATOM 306 CB LYS A 158 9.213 -10.496 12.094 1.00 0.00 C ATOM 307 CG LYS A 158 10.217 -11.612 11.847 1.00 0.00 C ATOM 308 CD LYS A 158 9.633 -12.710 10.973 1.00 0.00 C ATOM 309 CE LYS A 158 10.556 -13.915 10.893 1.00 0.00 C ATOM 310 NZ LYS A 158 11.871 -13.581 10.286 1.00 0.00 N ATOM 0 H LYS A 158 10.379 -8.469 10.792 1.00 0.00 H new ATOM 0 HA LYS A 158 8.347 -10.517 10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.658 -9.764 12.768 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.343 -10.911 12.603 1.00 0.00 H new ATOM 0 HG2 LYS A 158 11.107 -11.202 11.370 1.00 0.00 H new ATOM 0 HG3 LYS A 158 10.533 -12.035 12.801 1.00 0.00 H new ATOM 0 HD2 LYS A 158 8.667 -13.018 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 158 9.455 -12.321 9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 158 10.712 -14.317 11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 158 10.076 -14.699 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 12.446 -14.444 10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 11.724 -13.175 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 12.365 -12.890 10.886 1.00 0.00 H new ATOM 324 N GLU A 159 7.729 -7.602 10.561 1.00 0.00 N ATOM 325 CA GLU A 159 6.762 -6.547 10.814 1.00 0.00 C ATOM 326 C GLU A 159 5.546 -6.730 9.911 1.00 0.00 C ATOM 327 O GLU A 159 5.669 -6.744 8.686 1.00 0.00 O ATOM 328 CB GLU A 159 7.412 -5.181 10.581 1.00 0.00 C ATOM 329 CG GLU A 159 6.508 -3.998 10.883 1.00 0.00 C ATOM 330 CD GLU A 159 7.239 -2.677 10.756 1.00 0.00 C ATOM 331 OE1 GLU A 159 7.501 -2.243 9.615 1.00 0.00 O ATOM 332 OE2 GLU A 159 7.567 -2.071 11.799 1.00 0.00 O ATOM 0 H GLU A 159 8.455 -7.355 9.888 1.00 0.00 H new ATOM 0 HA GLU A 159 6.431 -6.600 11.851 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.306 -5.107 11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.737 -5.119 9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.658 -4.009 10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 159 6.109 -4.096 11.892 1.00 0.00 H new ATOM 340 N PRO A 160 4.358 -6.896 10.511 1.00 0.00 N ATOM 341 CA PRO A 160 3.119 -7.118 9.766 1.00 0.00 C ATOM 342 C PRO A 160 2.755 -5.913 8.919 1.00 0.00 C ATOM 343 O PRO A 160 3.018 -4.772 9.303 1.00 0.00 O ATOM 344 CB PRO A 160 2.060 -7.325 10.856 1.00 0.00 C ATOM 345 CG PRO A 160 2.820 -7.585 12.107 1.00 0.00 C ATOM 346 CD PRO A 160 4.126 -6.861 11.961 1.00 0.00 C ATOM 0 HA PRO A 160 3.205 -7.960 9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.426 -6.445 10.958 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.406 -8.163 10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.271 -7.226 12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.981 -8.654 12.250 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.066 -5.839 12.336 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.926 -7.356 12.511 1.00 0.00 H new ATOM 354 N PHE A 161 2.141 -6.172 7.771 1.00 0.00 N ATOM 355 CA PHE A 161 1.706 -5.110 6.873 1.00 0.00 C ATOM 356 C PHE A 161 0.698 -4.212 7.586 1.00 0.00 C ATOM 357 O PHE A 161 0.534 -3.044 7.241 1.00 0.00 O ATOM 358 CB PHE A 161 1.091 -5.717 5.608 1.00 0.00 C ATOM 359 CG PHE A 161 0.932 -4.749 4.469 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.032 -4.342 3.733 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.317 -4.258 4.130 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.889 -3.461 2.679 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.466 -3.376 3.078 1.00 0.00 C ATOM 364 CZ PHE A 161 0.639 -2.976 2.352 1.00 0.00 C ATOM 0 H PHE A 161 1.932 -7.114 7.439 1.00 0.00 H new ATOM 0 HA PHE A 161 2.565 -4.505 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 161 1.715 -6.548 5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.114 -6.131 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.013 -4.718 3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -1.184 -4.568 4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.754 -3.152 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.446 -2.999 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.525 -2.285 1.530 1.00 0.00 H new ATOM 374 N ARG A 162 0.048 -4.774 8.600 1.00 0.00 N ATOM 375 CA ARG A 162 -0.885 -4.028 9.430 1.00 0.00 C ATOM 376 C ARG A 162 -0.163 -2.921 10.191 1.00 0.00 C ATOM 377 O ARG A 162 -0.560 -1.756 10.139 1.00 0.00 O ATOM 378 CB ARG A 162 -1.576 -4.963 10.422 1.00 0.00 C ATOM 379 CG ARG A 162 -2.435 -6.036 9.771 1.00 0.00 C ATOM 380 CD ARG A 162 -3.018 -6.978 10.813 1.00 0.00 C ATOM 381 NE ARG A 162 -3.781 -6.263 11.833 1.00 0.00 N ATOM 382 CZ ARG A 162 -4.257 -6.823 12.942 1.00 0.00 C ATOM 383 NH1 ARG A 162 -4.076 -8.119 13.174 1.00 0.00 N ATOM 384 NH2 ARG A 162 -4.919 -6.079 13.816 1.00 0.00 N ATOM 0 H ARG A 162 0.153 -5.753 8.867 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.633 -3.578 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -0.818 -5.445 11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.200 -4.369 11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.242 -5.568 9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.836 -6.603 9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.663 -7.706 10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -2.211 -7.536 11.289 1.00 0.00 H new ATOM 0 HE ARG A 162 -3.961 -5.270 11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.569 -8.692 12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.444 -8.541 14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.060 -5.085 13.636 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -5.287 -6.500 14.669 1.00 0.00 H new ATOM 398 N ASP A 163 0.906 -3.286 10.892 1.00 0.00 N ATOM 399 CA ASP A 163 1.670 -2.318 11.673 1.00 0.00 C ATOM 400 C ASP A 163 2.527 -1.452 10.759 1.00 0.00 C ATOM 401 O ASP A 163 2.814 -0.294 11.065 1.00 0.00 O ATOM 402 CB ASP A 163 2.546 -3.030 12.705 1.00 0.00 C ATOM 403 CG ASP A 163 1.727 -3.783 13.735 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.075 -3.133 14.576 1.00 0.00 O ATOM 405 OD2 ASP A 163 1.732 -5.031 13.708 1.00 0.00 O ATOM 0 H ASP A 163 1.262 -4.241 10.936 1.00 0.00 H new ATOM 0 HA ASP A 163 0.967 -1.675 12.202 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.212 -3.726 12.195 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.176 -2.298 13.210 1.00 0.00 H new ATOM 411 N TYR A 164 2.927 -2.025 9.631 1.00 0.00 N ATOM 412 CA TYR A 164 3.699 -1.308 8.628 1.00 0.00 C ATOM 413 C TYR A 164 2.894 -0.133 8.078 1.00 0.00 C ATOM 414 O TYR A 164 3.374 1.000 8.057 1.00 0.00 O ATOM 415 CB TYR A 164 4.103 -2.274 7.508 1.00 0.00 C ATOM 416 CG TYR A 164 4.782 -1.625 6.320 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.833 -0.730 6.484 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.374 -1.929 5.029 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.455 -0.154 5.390 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.987 -1.358 3.932 1.00 0.00 C ATOM 421 CZ TYR A 164 6.026 -0.472 4.117 1.00 0.00 C ATOM 422 OH TYR A 164 6.644 0.087 3.024 1.00 0.00 O ATOM 0 H TYR A 164 2.726 -2.995 9.388 1.00 0.00 H new ATOM 0 HA TYR A 164 4.603 -0.906 9.085 1.00 0.00 H new ATOM 0 HB2 TYR A 164 4.772 -3.029 7.923 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.212 -2.795 7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.169 -0.481 7.480 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.562 -2.625 4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.271 0.540 5.531 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.654 -1.604 2.934 1.00 0.00 H new ATOM 0 HH TYR A 164 6.252 -0.279 2.204 1.00 0.00 H new ATOM 432 N VAL A 165 1.661 -0.401 7.665 1.00 0.00 N ATOM 433 CA VAL A 165 0.789 0.641 7.137 1.00 0.00 C ATOM 434 C VAL A 165 0.404 1.642 8.221 1.00 0.00 C ATOM 435 O VAL A 165 0.261 2.830 7.939 1.00 0.00 O ATOM 436 CB VAL A 165 -0.479 0.042 6.485 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.564 1.094 6.300 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.124 -0.571 5.146 1.00 0.00 C ATOM 0 H VAL A 165 1.243 -1.331 7.686 1.00 0.00 H new ATOM 0 HA VAL A 165 1.350 1.169 6.366 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.869 -0.727 7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.440 0.637 5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.839 1.508 7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.191 1.892 5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -1.020 -0.992 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.290 0.197 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.614 -1.360 5.291 1.00 0.00 H new ATOM 448 N ASP A 166 0.260 1.166 9.458 1.00 0.00 N ATOM 449 CA ASP A 166 -0.104 2.041 10.575 1.00 0.00 C ATOM 450 C ASP A 166 0.855 3.215 10.666 1.00 0.00 C ATOM 451 O ASP A 166 0.438 4.373 10.724 1.00 0.00 O ATOM 452 CB ASP A 166 -0.093 1.276 11.903 1.00 0.00 C ATOM 453 CG ASP A 166 -0.512 2.147 13.079 1.00 0.00 C ATOM 454 OD1 ASP A 166 -1.707 2.127 13.436 1.00 0.00 O ATOM 455 OD2 ASP A 166 0.353 2.851 13.653 1.00 0.00 O ATOM 0 H ASP A 166 0.389 0.187 9.712 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.113 2.409 10.389 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.764 0.420 11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.907 0.883 12.084 1.00 0.00 H new ATOM 461 N ARG A 167 2.145 2.914 10.627 1.00 0.00 N ATOM 462 CA ARG A 167 3.159 3.947 10.753 1.00 0.00 C ATOM 463 C ARG A 167 3.444 4.615 9.414 1.00 0.00 C ATOM 464 O ARG A 167 3.735 5.808 9.369 1.00 0.00 O ATOM 465 CB ARG A 167 4.442 3.390 11.377 1.00 0.00 C ATOM 466 CG ARG A 167 5.097 2.268 10.594 1.00 0.00 C ATOM 467 CD ARG A 167 6.300 1.737 11.345 1.00 0.00 C ATOM 468 NE ARG A 167 7.073 0.783 10.565 1.00 0.00 N ATOM 469 CZ ARG A 167 8.338 0.979 10.206 1.00 0.00 C ATOM 470 NH1 ARG A 167 8.956 2.120 10.502 1.00 0.00 N ATOM 471 NH2 ARG A 167 8.986 0.024 9.565 1.00 0.00 N ATOM 0 H ARG A 167 2.511 1.969 10.510 1.00 0.00 H new ATOM 0 HA ARG A 167 2.766 4.711 11.424 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.159 4.204 11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.214 3.029 12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.380 1.464 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.403 2.630 9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 167 6.941 2.571 11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 167 5.966 1.261 12.267 1.00 0.00 H new ATOM 0 HE ARG A 167 6.619 -0.084 10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 167 8.459 2.853 11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 167 9.927 2.262 10.223 1.00 0.00 H new ATOM 0 HH21 ARG A 167 8.516 -0.855 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 167 9.957 0.165 9.286 1.00 0.00 H new ATOM 485 N PHE A 168 3.349 3.855 8.329 1.00 0.00 N ATOM 486 CA PHE A 168 3.546 4.404 6.992 1.00 0.00 C ATOM 487 C PHE A 168 2.533 5.525 6.742 1.00 0.00 C ATOM 488 O PHE A 168 2.895 6.642 6.373 1.00 0.00 O ATOM 489 CB PHE A 168 3.392 3.291 5.942 1.00 0.00 C ATOM 490 CG PHE A 168 3.778 3.692 4.543 1.00 0.00 C ATOM 491 CD1 PHE A 168 3.030 4.624 3.849 1.00 0.00 C ATOM 492 CD2 PHE A 168 4.884 3.128 3.920 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.374 4.991 2.569 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.231 3.495 2.630 1.00 0.00 C ATOM 495 CZ PHE A 168 4.473 4.429 1.956 1.00 0.00 C ATOM 0 H PHE A 168 3.137 2.857 8.349 1.00 0.00 H new ATOM 0 HA PHE A 168 4.552 4.817 6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.001 2.439 6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.355 2.955 5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 168 2.165 5.070 4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.479 2.396 4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.780 5.723 2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.093 3.051 2.154 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.740 4.719 0.951 1.00 0.00 H new ATOM 505 N TYR A 169 1.265 5.213 6.985 1.00 0.00 N ATOM 506 CA TYR A 169 0.171 6.154 6.783 1.00 0.00 C ATOM 507 C TYR A 169 0.350 7.425 7.620 1.00 0.00 C ATOM 508 O TYR A 169 0.231 8.536 7.101 1.00 0.00 O ATOM 509 CB TYR A 169 -1.162 5.459 7.108 1.00 0.00 C ATOM 510 CG TYR A 169 -2.145 6.289 7.908 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.829 7.344 7.326 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.393 6.007 9.247 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.732 8.096 8.051 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.294 6.755 9.980 1.00 0.00 C ATOM 515 CZ TYR A 169 -3.960 7.798 9.377 1.00 0.00 C ATOM 516 OH TYR A 169 -4.859 8.548 10.104 1.00 0.00 O ATOM 0 H TYR A 169 0.967 4.300 7.328 1.00 0.00 H new ATOM 0 HA TYR A 169 0.170 6.467 5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.637 5.164 6.172 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.951 4.543 7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.653 7.582 6.287 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -1.872 5.189 9.722 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.257 8.914 7.581 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -3.475 6.523 11.019 1.00 0.00 H new ATOM 0 HH TYR A 169 -4.903 8.206 11.021 1.00 0.00 H new ATOM 526 N LYS A 170 0.651 7.268 8.906 1.00 0.00 N ATOM 527 CA LYS A 170 0.732 8.416 9.805 1.00 0.00 C ATOM 528 C LYS A 170 1.982 9.248 9.539 1.00 0.00 C ATOM 529 O LYS A 170 2.075 10.399 9.962 1.00 0.00 O ATOM 530 CB LYS A 170 0.661 7.976 11.270 1.00 0.00 C ATOM 531 CG LYS A 170 1.782 7.059 11.721 1.00 0.00 C ATOM 532 CD LYS A 170 1.452 6.424 13.065 1.00 0.00 C ATOM 533 CE LYS A 170 2.556 5.496 13.539 1.00 0.00 C ATOM 534 NZ LYS A 170 2.103 4.607 14.641 1.00 0.00 N ATOM 0 H LYS A 170 0.841 6.368 9.346 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.131 9.051 9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 170 0.664 8.865 11.901 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -0.290 7.470 11.436 1.00 0.00 H new ATOM 0 HG2 LYS A 170 1.943 6.280 10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 170 2.711 7.624 11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 170 1.292 7.207 13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 170 0.519 5.866 12.984 1.00 0.00 H new ATOM 0 HE2 LYS A 170 2.903 4.889 12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 170 3.406 6.088 13.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 2.887 3.990 14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 1.796 5.185 15.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 1.308 4.023 14.311 1.00 0.00 H new ATOM 548 N THR A 171 2.932 8.666 8.827 1.00 0.00 N ATOM 549 CA THR A 171 4.106 9.403 8.391 1.00 0.00 C ATOM 550 C THR A 171 3.775 10.231 7.146 1.00 0.00 C ATOM 551 O THR A 171 4.184 11.386 7.034 1.00 0.00 O ATOM 552 CB THR A 171 5.294 8.462 8.102 1.00 0.00 C ATOM 553 OG1 THR A 171 5.562 7.657 9.259 1.00 0.00 O ATOM 554 CG2 THR A 171 6.545 9.247 7.731 1.00 0.00 C ATOM 0 H THR A 171 2.914 7.688 8.539 1.00 0.00 H new ATOM 0 HA THR A 171 4.400 10.070 9.201 1.00 0.00 H new ATOM 0 HB THR A 171 5.026 7.827 7.258 1.00 0.00 H new ATOM 0 HG1 THR A 171 4.990 6.861 9.243 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.364 8.555 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.350 9.842 6.839 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.818 9.907 8.555 1.00 0.00 H new ATOM 562 N LEU A 172 2.995 9.646 6.230 1.00 0.00 N ATOM 563 CA LEU A 172 2.560 10.351 5.018 1.00 0.00 C ATOM 564 C LEU A 172 1.813 11.633 5.363 1.00 0.00 C ATOM 565 O LEU A 172 1.881 12.623 4.634 1.00 0.00 O ATOM 566 CB LEU A 172 1.652 9.471 4.156 1.00 0.00 C ATOM 567 CG LEU A 172 2.332 8.362 3.363 1.00 0.00 C ATOM 568 CD1 LEU A 172 1.327 7.731 2.412 1.00 0.00 C ATOM 569 CD2 LEU A 172 3.534 8.900 2.598 1.00 0.00 C ATOM 0 H LEU A 172 2.652 8.688 6.304 1.00 0.00 H new ATOM 0 HA LEU A 172 3.462 10.596 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 172 0.903 9.016 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.120 10.114 3.455 1.00 0.00 H new ATOM 0 HG LEU A 172 2.695 7.602 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 172 1.812 6.937 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 172 0.498 7.314 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 172 0.949 8.489 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 172 4.003 8.089 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 172 3.207 9.676 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 172 4.254 9.320 3.300 1.00 0.00 H new ATOM 581 N ARG A 173 1.089 11.601 6.475 1.00 0.00 N ATOM 582 CA ARG A 173 0.334 12.758 6.939 1.00 0.00 C ATOM 583 C ARG A 173 1.254 13.932 7.275 1.00 0.00 C ATOM 584 O ARG A 173 0.842 15.089 7.208 1.00 0.00 O ATOM 585 CB ARG A 173 -0.501 12.385 8.161 1.00 0.00 C ATOM 586 CG ARG A 173 -1.682 11.499 7.828 1.00 0.00 C ATOM 587 CD ARG A 173 -2.510 11.174 9.053 1.00 0.00 C ATOM 588 NE ARG A 173 -2.962 12.381 9.742 1.00 0.00 N ATOM 589 CZ ARG A 173 -3.727 12.389 10.831 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.177 11.252 11.353 1.00 0.00 N ATOM 591 NH2 ARG A 173 -4.043 13.549 11.391 1.00 0.00 N ATOM 0 H ARG A 173 1.009 10.780 7.076 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.326 13.070 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 173 0.134 11.876 8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.862 13.296 8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -2.310 11.995 7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -1.325 10.574 7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.374 10.579 8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -1.921 10.564 9.738 1.00 0.00 H new ATOM 0 HE ARG A 173 -2.670 13.281 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -3.937 10.361 10.919 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -4.763 11.271 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -3.700 14.421 10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -4.629 13.570 12.226 1.00 0.00 H new ATOM 605 N ALA A 174 2.498 13.629 7.624 1.00 0.00 N ATOM 606 CA ALA A 174 3.451 14.656 8.022 1.00 0.00 C ATOM 607 C ALA A 174 4.429 14.978 6.897 1.00 0.00 C ATOM 608 O ALA A 174 5.156 15.970 6.965 1.00 0.00 O ATOM 609 CB ALA A 174 4.207 14.218 9.266 1.00 0.00 C ATOM 0 H ALA A 174 2.870 12.679 7.639 1.00 0.00 H new ATOM 0 HA ALA A 174 2.889 15.563 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.916 14.994 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.502 14.051 10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.746 13.294 9.058 1.00 0.00 H new ATOM 615 N GLU A 175 4.439 14.140 5.865 1.00 0.00 N ATOM 616 CA GLU A 175 5.355 14.314 4.744 1.00 0.00 C ATOM 617 C GLU A 175 5.086 15.610 3.992 1.00 0.00 C ATOM 618 O GLU A 175 3.937 16.032 3.837 1.00 0.00 O ATOM 619 CB GLU A 175 5.265 13.131 3.778 1.00 0.00 C ATOM 620 CG GLU A 175 5.912 11.867 4.310 1.00 0.00 C ATOM 621 CD GLU A 175 7.362 12.082 4.699 1.00 0.00 C ATOM 622 OE1 GLU A 175 8.249 11.953 3.824 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.621 12.389 5.876 1.00 0.00 O ATOM 0 H GLU A 175 3.822 13.332 5.782 1.00 0.00 H new ATOM 0 HA GLU A 175 6.362 14.362 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.216 12.929 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.740 13.404 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.354 11.513 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.853 11.085 3.553 1.00 0.00 H new ATOM 631 N GLN A 176 6.159 16.224 3.516 1.00 0.00 N ATOM 632 CA GLN A 176 6.071 17.469 2.777 1.00 0.00 C ATOM 633 C GLN A 176 5.980 17.182 1.289 1.00 0.00 C ATOM 634 O GLN A 176 6.989 17.149 0.581 1.00 0.00 O ATOM 635 CB GLN A 176 7.281 18.352 3.076 1.00 0.00 C ATOM 636 CG GLN A 176 7.424 18.684 4.546 1.00 0.00 C ATOM 637 CD GLN A 176 6.247 19.473 5.082 1.00 0.00 C ATOM 638 OE1 GLN A 176 5.265 18.903 5.558 1.00 0.00 O ATOM 639 NE2 GLN A 176 6.334 20.788 5.004 1.00 0.00 N ATOM 0 H GLN A 176 7.110 15.873 3.632 1.00 0.00 H new ATOM 0 HA GLN A 176 5.172 18.001 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 176 8.185 17.848 2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 176 7.197 19.278 2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 176 7.527 17.760 5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 176 8.340 19.256 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 176 7.166 21.221 4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 176 5.570 21.371 5.345 1.00 0.00 H new ATOM 648 N ALA A 177 4.767 16.955 0.830 1.00 0.00 N ATOM 649 CA ALA A 177 4.511 16.630 -0.564 1.00 0.00 C ATOM 650 C ALA A 177 3.055 16.906 -0.895 1.00 0.00 C ATOM 651 O ALA A 177 2.193 16.843 -0.018 1.00 0.00 O ATOM 652 CB ALA A 177 4.848 15.169 -0.838 1.00 0.00 C ATOM 0 H ALA A 177 3.929 16.990 1.410 1.00 0.00 H new ATOM 0 HA ALA A 177 5.144 17.253 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.651 14.940 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.901 14.991 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.233 14.529 -0.205 1.00 0.00 H new ATOM 658 N SER A 178 2.789 17.230 -2.153 1.00 0.00 N ATOM 659 CA SER A 178 1.428 17.469 -2.607 1.00 0.00 C ATOM 660 C SER A 178 0.628 16.174 -2.548 1.00 0.00 C ATOM 661 O SER A 178 1.215 15.091 -2.611 1.00 0.00 O ATOM 662 CB SER A 178 1.429 18.025 -4.035 1.00 0.00 C ATOM 663 OG SER A 178 0.149 18.517 -4.400 1.00 0.00 O ATOM 0 H SER A 178 3.500 17.333 -2.877 1.00 0.00 H new ATOM 0 HA SER A 178 0.964 18.205 -1.951 1.00 0.00 H new ATOM 0 HB2 SER A 178 2.164 18.825 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 178 1.732 17.243 -4.731 1.00 0.00 H new ATOM 0 HG SER A 178 0.182 18.866 -5.315 1.00 0.00 H new ATOM 669 N GLN A 179 -0.689 16.268 -2.434 1.00 0.00 N ATOM 670 CA GLN A 179 -1.517 15.076 -2.284 1.00 0.00 C ATOM 671 C GLN A 179 -1.290 14.115 -3.448 1.00 0.00 C ATOM 672 O GLN A 179 -1.127 12.912 -3.243 1.00 0.00 O ATOM 673 CB GLN A 179 -2.996 15.452 -2.175 1.00 0.00 C ATOM 674 CG GLN A 179 -3.894 14.278 -1.826 1.00 0.00 C ATOM 675 CD GLN A 179 -5.326 14.694 -1.559 1.00 0.00 C ATOM 676 OE1 GLN A 179 -6.155 14.737 -2.467 1.00 0.00 O ATOM 677 NE2 GLN A 179 -5.624 15.012 -0.310 1.00 0.00 N ATOM 0 H GLN A 179 -1.205 17.148 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 179 -1.226 14.573 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.111 16.226 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.324 15.882 -3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.876 13.557 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.497 13.772 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -4.907 14.963 0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -6.571 15.306 -0.071 1.00 0.00 H new ATOM 686 N GLU A 180 -1.217 14.665 -4.657 1.00 0.00 N ATOM 687 CA GLU A 180 -1.015 13.856 -5.857 1.00 0.00 C ATOM 688 C GLU A 180 0.312 13.103 -5.782 1.00 0.00 C ATOM 689 O GLU A 180 0.403 11.938 -6.179 1.00 0.00 O ATOM 690 CB GLU A 180 -1.047 14.735 -7.111 1.00 0.00 C ATOM 691 CG GLU A 180 -0.030 15.867 -7.087 1.00 0.00 C ATOM 692 CD GLU A 180 0.107 16.562 -8.425 1.00 0.00 C ATOM 693 OE1 GLU A 180 -0.552 17.603 -8.632 1.00 0.00 O ATOM 694 OE2 GLU A 180 0.884 16.077 -9.273 1.00 0.00 O ATOM 0 H GLU A 180 -1.295 15.667 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.826 13.130 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -0.864 14.112 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -2.046 15.157 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -0.323 16.597 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 180 0.940 15.471 -6.787 1.00 0.00 H new ATOM 702 N VAL A 181 1.328 13.771 -5.249 1.00 0.00 N ATOM 703 CA VAL A 181 2.641 13.171 -5.086 1.00 0.00 C ATOM 704 C VAL A 181 2.572 12.073 -4.037 1.00 0.00 C ATOM 705 O VAL A 181 3.129 10.989 -4.216 1.00 0.00 O ATOM 706 CB VAL A 181 3.695 14.217 -4.663 1.00 0.00 C ATOM 707 CG1 VAL A 181 5.079 13.592 -4.596 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.683 15.401 -5.617 1.00 0.00 C ATOM 0 H VAL A 181 1.264 14.735 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 181 2.942 12.755 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 181 3.439 14.577 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.805 14.347 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 181 5.077 12.781 -3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 181 5.348 13.199 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 181 4.432 16.128 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.911 15.057 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 181 2.698 15.867 -5.606 1.00 0.00 H new ATOM 718 N LYS A 182 1.852 12.353 -2.957 1.00 0.00 N ATOM 719 CA LYS A 182 1.672 11.386 -1.885 1.00 0.00 C ATOM 720 C LYS A 182 0.935 10.151 -2.383 1.00 0.00 C ATOM 721 O LYS A 182 1.094 9.067 -1.831 1.00 0.00 O ATOM 722 CB LYS A 182 0.908 11.996 -0.711 1.00 0.00 C ATOM 723 CG LYS A 182 1.665 13.087 0.023 1.00 0.00 C ATOM 724 CD LYS A 182 0.917 13.524 1.270 1.00 0.00 C ATOM 725 CE LYS A 182 1.664 14.607 2.026 1.00 0.00 C ATOM 726 NZ LYS A 182 0.992 14.945 3.308 1.00 0.00 N ATOM 0 H LYS A 182 1.383 13.245 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 182 2.665 11.095 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -0.033 12.406 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 182 0.657 11.205 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 182 2.656 12.726 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 182 1.809 13.942 -0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -0.071 13.891 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 182 0.765 12.664 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 182 2.683 14.275 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 182 1.736 15.501 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.370 15.843 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.032 15.039 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.167 14.190 4.001 1.00 0.00 H new ATOM 740 N ASN A 183 0.105 10.313 -3.406 1.00 0.00 N ATOM 741 CA ASN A 183 -0.585 9.168 -3.976 1.00 0.00 C ATOM 742 C ASN A 183 0.363 8.386 -4.871 1.00 0.00 C ATOM 743 O ASN A 183 0.622 7.211 -4.632 1.00 0.00 O ATOM 744 CB ASN A 183 -1.807 9.573 -4.811 1.00 0.00 C ATOM 745 CG ASN A 183 -2.730 10.573 -4.137 1.00 0.00 C ATOM 746 OD1 ASN A 183 -3.339 11.408 -4.806 1.00 0.00 O ATOM 747 ND2 ASN A 183 -2.858 10.496 -2.823 1.00 0.00 N ATOM 0 H ASN A 183 -0.103 11.208 -3.849 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.927 8.560 -3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.462 9.996 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -2.378 8.677 -5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.477 11.141 -2.332 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -2.338 9.791 -2.300 1.00 0.00 H new ATOM 754 N ALA A 184 0.926 9.075 -5.859 1.00 0.00 N ATOM 755 CA ALA A 184 1.708 8.429 -6.910 1.00 0.00 C ATOM 756 C ALA A 184 2.972 7.774 -6.372 1.00 0.00 C ATOM 757 O ALA A 184 3.270 6.619 -6.694 1.00 0.00 O ATOM 758 CB ALA A 184 2.055 9.436 -7.994 1.00 0.00 C ATOM 0 H ALA A 184 0.855 10.088 -5.954 1.00 0.00 H new ATOM 0 HA ALA A 184 1.092 7.635 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.638 8.945 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.138 9.837 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 184 2.638 10.249 -7.562 1.00 0.00 H new ATOM 764 N ALA A 185 3.712 8.506 -5.549 1.00 0.00 N ATOM 765 CA ALA A 185 4.956 7.999 -4.996 1.00 0.00 C ATOM 766 C ALA A 185 4.690 6.784 -4.117 1.00 0.00 C ATOM 767 O ALA A 185 5.323 5.741 -4.279 1.00 0.00 O ATOM 768 CB ALA A 185 5.672 9.085 -4.207 1.00 0.00 C ATOM 0 H ALA A 185 3.471 9.451 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 185 5.601 7.694 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.602 8.687 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.894 9.926 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 185 5.034 9.422 -3.390 1.00 0.00 H new ATOM 774 N THR A 186 3.727 6.920 -3.216 1.00 0.00 N ATOM 775 CA THR A 186 3.386 5.864 -2.276 1.00 0.00 C ATOM 776 C THR A 186 2.935 4.585 -2.981 1.00 0.00 C ATOM 777 O THR A 186 3.329 3.493 -2.577 1.00 0.00 O ATOM 778 CB THR A 186 2.297 6.343 -1.306 1.00 0.00 C ATOM 779 OG1 THR A 186 2.778 7.465 -0.560 1.00 0.00 O ATOM 780 CG2 THR A 186 1.866 5.241 -0.354 1.00 0.00 C ATOM 0 H THR A 186 3.162 7.763 -3.117 1.00 0.00 H new ATOM 0 HA THR A 186 4.291 5.627 -1.717 1.00 0.00 H new ATOM 0 HB THR A 186 1.427 6.632 -1.896 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.381 8.288 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 186 1.094 5.620 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.470 4.401 -0.925 1.00 0.00 H new ATOM 0 HG23 THR A 186 2.724 4.910 0.231 1.00 0.00 H new ATOM 788 N GLU A 187 2.137 4.715 -4.045 1.00 0.00 N ATOM 789 CA GLU A 187 1.683 3.545 -4.805 1.00 0.00 C ATOM 790 C GLU A 187 2.871 2.698 -5.222 1.00 0.00 C ATOM 791 O GLU A 187 2.788 1.473 -5.312 1.00 0.00 O ATOM 792 CB GLU A 187 0.927 3.971 -6.061 1.00 0.00 C ATOM 793 CG GLU A 187 -0.368 4.722 -5.789 1.00 0.00 C ATOM 794 CD GLU A 187 -1.165 4.969 -7.049 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.990 4.107 -7.409 1.00 0.00 O ATOM 796 OE2 GLU A 187 -0.960 6.017 -7.699 1.00 0.00 O ATOM 0 H GLU A 187 1.794 5.609 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 187 1.019 2.969 -4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 187 1.578 4.601 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 187 0.701 3.084 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.974 4.153 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 187 -0.139 5.676 -5.314 1.00 0.00 H new ATOM 804 N THR A 188 3.972 3.378 -5.453 1.00 0.00 N ATOM 805 CA THR A 188 5.178 2.761 -5.914 1.00 0.00 C ATOM 806 C THR A 188 6.017 2.237 -4.753 1.00 0.00 C ATOM 807 O THR A 188 6.297 1.041 -4.658 1.00 0.00 O ATOM 808 CB THR A 188 6.000 3.790 -6.689 1.00 0.00 C ATOM 809 OG1 THR A 188 5.126 4.653 -7.436 1.00 0.00 O ATOM 810 CG2 THR A 188 6.939 3.091 -7.637 1.00 0.00 C ATOM 0 H THR A 188 4.047 4.387 -5.322 1.00 0.00 H new ATOM 0 HA THR A 188 4.907 1.919 -6.551 1.00 0.00 H new ATOM 0 HB THR A 188 6.577 4.383 -5.980 1.00 0.00 H new ATOM 0 HG1 THR A 188 4.774 5.352 -6.846 1.00 0.00 H new ATOM 0 HG21 THR A 188 7.521 3.832 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 188 7.612 2.446 -7.073 1.00 0.00 H new ATOM 0 HG23 THR A 188 6.364 2.488 -8.340 1.00 0.00 H new ATOM 818 N LEU A 189 6.396 3.138 -3.856 1.00 0.00 N ATOM 819 CA LEU A 189 7.382 2.819 -2.838 1.00 0.00 C ATOM 820 C LEU A 189 6.798 2.045 -1.647 1.00 0.00 C ATOM 821 O LEU A 189 7.549 1.487 -0.850 1.00 0.00 O ATOM 822 CB LEU A 189 8.129 4.088 -2.387 1.00 0.00 C ATOM 823 CG LEU A 189 7.257 5.306 -2.097 1.00 0.00 C ATOM 824 CD1 LEU A 189 6.360 5.023 -0.925 1.00 0.00 C ATOM 825 CD2 LEU A 189 8.105 6.540 -1.836 1.00 0.00 C ATOM 0 H LEU A 189 6.036 4.091 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 189 8.102 2.142 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 189 8.699 3.851 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 189 8.849 4.356 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 189 6.643 5.507 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 189 5.740 5.896 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 189 5.722 4.169 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 189 6.967 4.798 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 189 7.456 7.391 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 189 8.751 6.362 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 189 8.718 6.752 -2.712 1.00 0.00 H new ATOM 837 N LEU A 190 5.469 2.009 -1.527 1.00 0.00 N ATOM 838 CA LEU A 190 4.811 1.219 -0.483 1.00 0.00 C ATOM 839 C LEU A 190 5.228 -0.243 -0.580 1.00 0.00 C ATOM 840 O LEU A 190 5.631 -0.853 0.409 1.00 0.00 O ATOM 841 CB LEU A 190 3.285 1.326 -0.602 1.00 0.00 C ATOM 842 CG LEU A 190 2.478 0.449 0.362 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.687 0.894 1.803 1.00 0.00 C ATOM 844 CD2 LEU A 190 1.001 0.481 -0.002 1.00 0.00 C ATOM 0 H LEU A 190 4.829 2.516 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 190 5.119 1.616 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.999 2.366 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 190 3.000 1.069 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 190 2.834 -0.577 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 190 2.104 0.257 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.744 0.815 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.363 1.929 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.442 -0.147 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.634 1.505 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.868 0.107 -1.017 1.00 0.00 H new ATOM 856 N VAL A 191 5.139 -0.788 -1.783 1.00 0.00 N ATOM 857 CA VAL A 191 5.512 -2.172 -2.028 1.00 0.00 C ATOM 858 C VAL A 191 7.034 -2.312 -2.051 1.00 0.00 C ATOM 859 O VAL A 191 7.582 -3.348 -1.682 1.00 0.00 O ATOM 860 CB VAL A 191 4.919 -2.671 -3.363 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.227 -4.143 -3.580 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.417 -2.425 -3.406 1.00 0.00 C ATOM 0 H VAL A 191 4.810 -0.289 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 191 5.109 -2.782 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 191 5.385 -2.107 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.798 -4.469 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.307 -4.289 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.798 -4.728 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.017 -2.783 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.937 -2.958 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.220 -1.357 -3.309 1.00 0.00 H new ATOM 872 N GLN A 192 7.701 -1.245 -2.476 1.00 0.00 N ATOM 873 CA GLN A 192 9.152 -1.189 -2.527 1.00 0.00 C ATOM 874 C GLN A 192 9.769 -1.418 -1.149 1.00 0.00 C ATOM 875 O GLN A 192 10.633 -2.280 -0.985 1.00 0.00 O ATOM 876 CB GLN A 192 9.572 0.178 -3.053 1.00 0.00 C ATOM 877 CG GLN A 192 11.027 0.505 -2.814 1.00 0.00 C ATOM 878 CD GLN A 192 11.342 1.957 -3.101 1.00 0.00 C ATOM 879 OE1 GLN A 192 11.706 2.315 -4.217 1.00 0.00 O ATOM 880 NE2 GLN A 192 11.194 2.806 -2.095 1.00 0.00 N ATOM 0 H GLN A 192 7.245 -0.391 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 192 9.508 -1.980 -3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.371 0.222 -4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 192 8.956 0.943 -2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.283 0.277 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.649 -0.131 -3.444 1.00 0.00 H new ATOM 0 HE21 GLN A 192 10.889 2.467 -1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.385 3.798 -2.233 1.00 0.00 H new ATOM 889 N ASN A 193 9.314 -0.643 -0.167 1.00 0.00 N ATOM 890 CA ASN A 193 9.889 -0.685 1.176 1.00 0.00 C ATOM 891 C ASN A 193 9.434 -1.930 1.922 1.00 0.00 C ATOM 892 O ASN A 193 9.919 -2.223 3.015 1.00 0.00 O ATOM 893 CB ASN A 193 9.507 0.561 1.979 1.00 0.00 C ATOM 894 CG ASN A 193 9.951 1.858 1.331 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.920 1.895 0.570 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.253 2.937 1.646 1.00 0.00 N ATOM 0 H ASN A 193 8.548 0.022 -0.276 1.00 0.00 H new ATOM 0 HA ASN A 193 10.973 -0.713 1.065 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.425 0.581 2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.947 0.492 2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.510 3.843 1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.457 2.863 2.280 1.00 0.00 H new ATOM 903 N ALA A 194 8.494 -2.654 1.332 1.00 0.00 N ATOM 904 CA ALA A 194 8.037 -3.916 1.888 1.00 0.00 C ATOM 905 C ALA A 194 9.028 -5.021 1.546 1.00 0.00 C ATOM 906 O ALA A 194 9.706 -4.959 0.519 1.00 0.00 O ATOM 907 CB ALA A 194 6.652 -4.260 1.355 1.00 0.00 C ATOM 0 H ALA A 194 8.032 -2.386 0.463 1.00 0.00 H new ATOM 0 HA ALA A 194 7.974 -3.822 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.323 -5.208 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.950 -3.474 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.691 -4.344 0.269 1.00 0.00 H new ATOM 913 N ASN A 195 9.116 -6.020 2.415 1.00 0.00 N ATOM 914 CA ASN A 195 10.026 -7.145 2.206 1.00 0.00 C ATOM 915 C ASN A 195 9.605 -7.950 0.985 1.00 0.00 C ATOM 916 O ASN A 195 8.417 -8.177 0.759 1.00 0.00 O ATOM 917 CB ASN A 195 10.066 -8.042 3.446 1.00 0.00 C ATOM 918 CG ASN A 195 10.889 -7.436 4.567 1.00 0.00 C ATOM 919 OD1 ASN A 195 12.100 -7.648 4.648 1.00 0.00 O ATOM 920 ND2 ASN A 195 10.240 -6.682 5.438 1.00 0.00 N ATOM 0 H ASN A 195 8.568 -6.076 3.274 1.00 0.00 H new ATOM 0 HA ASN A 195 11.027 -6.749 2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 195 9.049 -8.217 3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.482 -9.013 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 195 10.743 -6.251 6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 195 9.236 -6.532 5.334 1.00 0.00 H new ATOM 927 N PRO A 196 10.599 -8.381 0.177 1.00 0.00 N ATOM 928 CA PRO A 196 10.377 -9.069 -1.103 1.00 0.00 C ATOM 929 C PRO A 196 9.481 -10.296 -0.984 1.00 0.00 C ATOM 930 O PRO A 196 8.857 -10.705 -1.960 1.00 0.00 O ATOM 931 CB PRO A 196 11.784 -9.478 -1.563 1.00 0.00 C ATOM 932 CG PRO A 196 12.666 -9.291 -0.377 1.00 0.00 C ATOM 933 CD PRO A 196 12.032 -8.212 0.449 1.00 0.00 C ATOM 0 HA PRO A 196 9.859 -8.416 -1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.799 -10.514 -1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.117 -8.863 -2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.754 -10.216 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.673 -9.007 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.258 -8.331 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.383 -7.222 0.157 1.00 0.00 H new ATOM 941 N ASP A 197 9.431 -10.881 0.206 1.00 0.00 N ATOM 942 CA ASP A 197 8.529 -12.003 0.475 1.00 0.00 C ATOM 943 C ASP A 197 7.078 -11.565 0.288 1.00 0.00 C ATOM 944 O ASP A 197 6.312 -12.188 -0.450 1.00 0.00 O ATOM 945 CB ASP A 197 8.740 -12.521 1.902 1.00 0.00 C ATOM 946 CG ASP A 197 7.870 -13.718 2.230 1.00 0.00 C ATOM 947 OD1 ASP A 197 8.332 -14.865 2.052 1.00 0.00 O ATOM 948 OD2 ASP A 197 6.723 -13.521 2.673 1.00 0.00 O ATOM 0 H ASP A 197 10.003 -10.600 1.003 1.00 0.00 H new ATOM 0 HA ASP A 197 8.750 -12.807 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 197 9.787 -12.793 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 197 8.528 -11.719 2.609 1.00 0.00 H new ATOM 954 N CYS A 198 6.718 -10.480 0.960 1.00 0.00 N ATOM 955 CA CYS A 198 5.383 -9.906 0.855 1.00 0.00 C ATOM 956 C CYS A 198 5.204 -9.206 -0.490 1.00 0.00 C ATOM 957 O CYS A 198 4.114 -9.209 -1.066 1.00 0.00 O ATOM 958 CB CYS A 198 5.141 -8.921 2.004 1.00 0.00 C ATOM 959 SG CYS A 198 3.477 -8.213 2.041 1.00 0.00 S ATOM 0 H CYS A 198 7.340 -9.975 1.591 1.00 0.00 H new ATOM 0 HA CYS A 198 4.652 -10.712 0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 198 5.327 -9.431 2.949 1.00 0.00 H new ATOM 0 HB3 CYS A 198 5.866 -8.111 1.931 1.00 0.00 H new ATOM 0 HG CYS A 198 2.991 -8.309 3.243 1.00 0.00 H new ATOM 965 N LYS A 199 6.287 -8.600 -0.970 1.00 0.00 N ATOM 966 CA LYS A 199 6.295 -7.849 -2.225 1.00 0.00 C ATOM 967 C LYS A 199 5.709 -8.664 -3.380 1.00 0.00 C ATOM 968 O LYS A 199 4.934 -8.141 -4.182 1.00 0.00 O ATOM 969 CB LYS A 199 7.727 -7.420 -2.551 1.00 0.00 C ATOM 970 CG LYS A 199 7.869 -6.643 -3.851 1.00 0.00 C ATOM 971 CD LYS A 199 9.282 -6.099 -4.032 1.00 0.00 C ATOM 972 CE LYS A 199 9.681 -5.186 -2.880 1.00 0.00 C ATOM 973 NZ LYS A 199 10.974 -4.495 -3.130 1.00 0.00 N ATOM 0 H LYS A 199 7.190 -8.616 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 199 5.665 -6.968 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 199 8.105 -6.807 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.357 -8.308 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.618 -7.291 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 199 7.157 -5.818 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.986 -6.928 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 199 9.344 -5.549 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 199 8.899 -4.443 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.756 -5.772 -1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.060 -3.678 -2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.759 -5.154 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.009 -4.170 -4.117 1.00 0.00 H new ATOM 987 N THR A 200 6.076 -9.938 -3.451 1.00 0.00 N ATOM 988 CA THR A 200 5.575 -10.827 -4.492 1.00 0.00 C ATOM 989 C THR A 200 4.046 -10.871 -4.491 1.00 0.00 C ATOM 990 O THR A 200 3.409 -10.741 -5.537 1.00 0.00 O ATOM 991 CB THR A 200 6.130 -12.252 -4.300 1.00 0.00 C ATOM 992 OG1 THR A 200 7.558 -12.202 -4.221 1.00 0.00 O ATOM 993 CG2 THR A 200 5.715 -13.166 -5.442 1.00 0.00 C ATOM 0 H THR A 200 6.722 -10.380 -2.797 1.00 0.00 H new ATOM 0 HA THR A 200 5.913 -10.435 -5.451 1.00 0.00 H new ATOM 0 HB THR A 200 5.719 -12.656 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.825 -11.821 -3.358 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.123 -14.163 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.627 -13.221 -5.487 1.00 0.00 H new ATOM 0 HG23 THR A 200 6.097 -12.770 -6.383 1.00 0.00 H new ATOM 1001 N ILE A 201 3.467 -11.021 -3.306 1.00 0.00 N ATOM 1002 CA ILE A 201 2.020 -11.111 -3.166 1.00 0.00 C ATOM 1003 C ILE A 201 1.358 -9.799 -3.576 1.00 0.00 C ATOM 1004 O ILE A 201 0.342 -9.793 -4.271 1.00 0.00 O ATOM 1005 CB ILE A 201 1.616 -11.452 -1.716 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.320 -12.730 -1.249 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.105 -11.605 -1.607 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.053 -13.076 0.201 1.00 0.00 C ATOM 0 H ILE A 201 3.979 -11.083 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 201 1.680 -11.912 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 201 1.927 -10.632 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 201 1.999 -13.561 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.394 -12.617 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 201 -0.163 -11.845 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.377 -10.672 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 201 -0.228 -12.407 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 201 2.584 -13.992 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.400 -12.263 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 201 0.983 -13.222 0.349 1.00 0.00 H new ATOM 1020 N LEU A 202 1.957 -8.690 -3.156 1.00 0.00 N ATOM 1021 CA LEU A 202 1.417 -7.367 -3.451 1.00 0.00 C ATOM 1022 C LEU A 202 1.402 -7.109 -4.956 1.00 0.00 C ATOM 1023 O LEU A 202 0.442 -6.551 -5.491 1.00 0.00 O ATOM 1024 CB LEU A 202 2.236 -6.287 -2.737 1.00 0.00 C ATOM 1025 CG LEU A 202 2.318 -6.432 -1.215 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.171 -5.323 -0.617 1.00 0.00 C ATOM 1027 CD2 LEU A 202 0.928 -6.427 -0.596 1.00 0.00 C ATOM 0 H LEU A 202 2.818 -8.681 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 202 0.390 -7.329 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.248 -6.294 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.806 -5.313 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 202 2.789 -7.389 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.217 -5.443 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.178 -5.375 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.730 -4.355 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.011 -6.531 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.428 -5.488 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.348 -7.258 -0.997 1.00 0.00 H new ATOM 1039 N LYS A 203 2.458 -7.533 -5.639 1.00 0.00 N ATOM 1040 CA LYS A 203 2.548 -7.360 -7.084 1.00 0.00 C ATOM 1041 C LYS A 203 1.581 -8.293 -7.809 1.00 0.00 C ATOM 1042 O LYS A 203 1.144 -8.001 -8.925 1.00 0.00 O ATOM 1043 CB LYS A 203 3.979 -7.597 -7.571 1.00 0.00 C ATOM 1044 CG LYS A 203 4.961 -6.517 -7.138 1.00 0.00 C ATOM 1045 CD LYS A 203 4.559 -5.145 -7.670 1.00 0.00 C ATOM 1046 CE LYS A 203 5.583 -4.082 -7.296 1.00 0.00 C ATOM 1047 NZ LYS A 203 5.178 -2.727 -7.758 1.00 0.00 N ATOM 0 H LYS A 203 3.262 -7.998 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 203 2.269 -6.332 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 203 4.325 -8.561 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.977 -7.659 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.011 -6.485 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.960 -6.768 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 203 4.458 -5.189 -8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 203 3.583 -4.869 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 203 5.715 -4.071 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 203 6.548 -4.340 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 5.904 -2.035 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 5.077 -2.729 -8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 4.270 -2.469 -7.322 1.00 0.00 H new ATOM 1061 N ALA A 204 1.258 -9.415 -7.179 1.00 0.00 N ATOM 1062 CA ALA A 204 0.313 -10.368 -7.747 1.00 0.00 C ATOM 1063 C ALA A 204 -1.121 -9.863 -7.608 1.00 0.00 C ATOM 1064 O ALA A 204 -1.993 -10.202 -8.410 1.00 0.00 O ATOM 1065 CB ALA A 204 0.464 -11.729 -7.084 1.00 0.00 C ATOM 0 H ALA A 204 1.637 -9.688 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 204 0.535 -10.472 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.250 -12.428 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.477 -12.100 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 204 0.273 -11.636 -6.015 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.359 -9.060 -6.581 1.00 0.00 N ATOM 1072 CA LEU A 205 -2.664 -8.453 -6.366 1.00 0.00 C ATOM 1073 C LEU A 205 -2.941 -7.381 -7.414 1.00 0.00 C ATOM 1074 O LEU A 205 -3.994 -7.378 -8.050 1.00 0.00 O ATOM 1075 CB LEU A 205 -2.740 -7.854 -4.963 1.00 0.00 C ATOM 1076 CG LEU A 205 -2.831 -8.874 -3.833 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -2.333 -8.269 -2.536 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -4.265 -9.346 -3.670 1.00 0.00 C ATOM 0 H LEU A 205 -0.661 -8.813 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.424 -9.228 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -1.860 -7.232 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.608 -7.197 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 205 -2.203 -9.729 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -2.404 -9.009 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -1.294 -7.961 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -2.942 -7.402 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -4.319 -10.074 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -4.904 -8.495 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -4.603 -9.809 -4.597 1.00 0.00 H new ATOM 1090 N GLY A 206 -1.986 -6.483 -7.597 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.117 -5.464 -8.619 1.00 0.00 C ATOM 1092 C GLY A 206 -2.649 -4.148 -8.080 1.00 0.00 C ATOM 1093 O GLY A 206 -3.169 -4.091 -6.963 1.00 0.00 O ATOM 0 H GLY A 206 -1.122 -6.441 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.145 -5.294 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -2.784 -5.826 -9.402 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.545 -3.067 -8.868 1.00 0.00 N ATOM 1098 CA PRO A 207 -2.972 -1.729 -8.448 1.00 0.00 C ATOM 1099 C PRO A 207 -4.490 -1.555 -8.457 1.00 0.00 C ATOM 1100 O PRO A 207 -5.011 -0.578 -7.917 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.326 -0.815 -9.487 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.210 -1.656 -10.709 1.00 0.00 C ATOM 1103 CD PRO A 207 -1.983 -3.064 -10.233 1.00 0.00 C ATOM 0 HA PRO A 207 -2.677 -1.517 -7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -2.936 0.069 -9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.349 -0.464 -9.153 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.115 -1.591 -11.313 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.384 -1.320 -11.335 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.484 -3.789 -10.874 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -0.923 -3.320 -10.230 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.197 -2.503 -9.064 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.650 -2.431 -9.136 1.00 0.00 C ATOM 1113 C ALA A 208 -7.275 -2.920 -7.838 1.00 0.00 C ATOM 1114 O ALA A 208 -8.463 -2.710 -7.584 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.167 -3.233 -10.319 1.00 0.00 C ATOM 0 H ALA A 208 -4.790 -3.325 -9.510 1.00 0.00 H new ATOM 0 HA ALA A 208 -6.936 -1.389 -9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.254 -3.167 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.748 -2.832 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -6.870 -4.276 -10.209 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.467 -3.569 -7.013 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.916 -4.041 -5.714 1.00 0.00 C ATOM 1123 C ALA A 209 -6.876 -2.903 -4.700 1.00 0.00 C ATOM 1124 O ALA A 209 -6.400 -1.808 -5.004 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.053 -5.205 -5.255 1.00 0.00 C ATOM 0 H ALA A 209 -5.492 -3.781 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 209 -7.946 -4.389 -5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.398 -5.551 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.126 -6.019 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.015 -4.881 -5.178 1.00 0.00 H new ATOM 1131 N THR A 210 -7.376 -3.156 -3.502 1.00 0.00 N ATOM 1132 CA THR A 210 -7.421 -2.132 -2.472 1.00 0.00 C ATOM 1133 C THR A 210 -6.407 -2.434 -1.379 1.00 0.00 C ATOM 1134 O THR A 210 -5.874 -3.545 -1.321 1.00 0.00 O ATOM 1135 CB THR A 210 -8.820 -2.032 -1.834 1.00 0.00 C ATOM 1136 OG1 THR A 210 -9.157 -3.279 -1.209 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.872 -1.677 -2.875 1.00 0.00 C ATOM 0 H THR A 210 -7.756 -4.059 -3.219 1.00 0.00 H new ATOM 0 HA THR A 210 -7.183 -1.183 -2.952 1.00 0.00 H new ATOM 0 HB THR A 210 -8.800 -1.240 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 210 -10.046 -3.212 -0.803 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.850 -1.613 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.626 -0.717 -3.328 1.00 0.00 H new ATOM 0 HG23 THR A 210 -9.895 -2.447 -3.646 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.144 -1.464 -0.516 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.275 -1.689 0.632 1.00 0.00 C ATOM 1147 C LEU A 211 -5.830 -2.809 1.500 1.00 0.00 C ATOM 1148 O LEU A 211 -5.087 -3.631 2.026 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.165 -0.425 1.470 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.171 -0.497 2.622 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.743 -0.509 2.102 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.393 0.666 3.560 1.00 0.00 C ATOM 0 H LEU A 211 -6.517 -0.517 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.288 -1.966 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.882 0.401 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.149 -0.189 1.874 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.332 -1.426 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.050 -0.561 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.598 -1.376 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.555 0.401 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -3.680 0.611 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.252 1.602 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.408 0.626 3.956 1.00 0.00 H new ATOM 1164 N GLU A 212 -7.152 -2.838 1.619 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.835 -3.800 2.465 1.00 0.00 C ATOM 1166 C GLU A 212 -7.523 -5.229 2.017 1.00 0.00 C ATOM 1167 O GLU A 212 -7.416 -6.135 2.842 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.339 -3.522 2.431 1.00 0.00 C ATOM 1169 CG GLU A 212 -10.114 -4.184 3.555 1.00 0.00 C ATOM 1170 CD GLU A 212 -11.563 -3.744 3.599 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.820 -2.559 3.895 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -12.459 -4.581 3.358 1.00 0.00 O ATOM 0 H GLU A 212 -7.777 -2.195 1.132 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.482 -3.697 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.500 -2.445 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.740 -3.864 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -10.070 -5.266 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.638 -3.950 4.507 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.346 -5.413 0.708 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.934 -6.706 0.168 1.00 0.00 C ATOM 1182 C GLU A 213 -5.501 -7.007 0.592 1.00 0.00 C ATOM 1183 O GLU A 213 -5.181 -8.121 0.999 1.00 0.00 O ATOM 1184 CB GLU A 213 -7.023 -6.721 -1.363 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.401 -6.393 -1.910 1.00 0.00 C ATOM 1186 CD GLU A 213 -9.477 -7.308 -1.370 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -9.528 -8.485 -1.781 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -10.287 -6.850 -0.540 1.00 0.00 O ATOM 0 H GLU A 213 -7.481 -4.685 0.006 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.608 -7.467 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.305 -6.005 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.726 -7.706 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.649 -5.361 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.382 -6.464 -2.998 1.00 0.00 H new ATOM 1196 N MET A 214 -4.654 -5.982 0.512 1.00 0.00 N ATOM 1197 CA MET A 214 -3.233 -6.101 0.835 1.00 0.00 C ATOM 1198 C MET A 214 -3.038 -6.558 2.277 1.00 0.00 C ATOM 1199 O MET A 214 -2.152 -7.365 2.569 1.00 0.00 O ATOM 1200 CB MET A 214 -2.530 -4.752 0.631 1.00 0.00 C ATOM 1201 CG MET A 214 -2.775 -4.136 -0.733 1.00 0.00 C ATOM 1202 SD MET A 214 -1.990 -5.050 -2.066 1.00 0.00 S ATOM 1203 CE MET A 214 -3.091 -4.663 -3.422 1.00 0.00 C ATOM 0 H MET A 214 -4.934 -5.045 0.221 1.00 0.00 H new ATOM 0 HA MET A 214 -2.798 -6.846 0.168 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.868 -4.057 1.400 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.458 -4.886 0.772 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.848 -4.087 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.404 -3.111 -0.735 1.00 0.00 H new ATOM 0 HE1 MET A 214 -2.684 -5.068 -4.348 1.00 0.00 H new ATOM 0 HE2 MET A 214 -4.070 -5.103 -3.233 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.191 -3.581 -3.512 1.00 0.00 H new ATOM 1213 N MET A 215 -3.874 -6.038 3.168 1.00 0.00 N ATOM 1214 CA MET A 215 -3.794 -6.367 4.588 1.00 0.00 C ATOM 1215 C MET A 215 -3.950 -7.871 4.788 1.00 0.00 C ATOM 1216 O MET A 215 -3.101 -8.524 5.393 1.00 0.00 O ATOM 1217 CB MET A 215 -4.887 -5.635 5.377 1.00 0.00 C ATOM 1218 CG MET A 215 -5.049 -4.167 5.007 1.00 0.00 C ATOM 1219 SD MET A 215 -3.540 -3.206 5.223 1.00 0.00 S ATOM 1220 CE MET A 215 -3.327 -3.314 6.994 1.00 0.00 C ATOM 0 H MET A 215 -4.619 -5.383 2.931 1.00 0.00 H new ATOM 0 HA MET A 215 -2.818 -6.049 4.955 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.837 -6.145 5.218 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.661 -5.707 6.441 1.00 0.00 H new ATOM 0 HG2 MET A 215 -5.372 -4.095 3.968 1.00 0.00 H new ATOM 0 HG3 MET A 215 -5.840 -3.731 5.618 1.00 0.00 H new ATOM 0 HE1 MET A 215 -2.703 -2.488 7.336 1.00 0.00 H new ATOM 0 HE2 MET A 215 -4.300 -3.260 7.482 1.00 0.00 H new ATOM 0 HE3 MET A 215 -2.847 -4.260 7.246 1.00 0.00 H new ATOM 1230 N THR A 216 -5.024 -8.410 4.233 1.00 0.00 N ATOM 1231 CA THR A 216 -5.343 -9.823 4.365 1.00 0.00 C ATOM 1232 C THR A 216 -4.401 -10.682 3.518 1.00 0.00 C ATOM 1233 O THR A 216 -4.194 -11.861 3.803 1.00 0.00 O ATOM 1234 CB THR A 216 -6.808 -10.071 3.953 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.662 -9.195 4.699 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.226 -11.513 4.199 1.00 0.00 C ATOM 0 H THR A 216 -5.698 -7.881 3.679 1.00 0.00 H new ATOM 0 HA THR A 216 -5.211 -10.109 5.409 1.00 0.00 H new ATOM 0 HB THR A 216 -6.897 -9.873 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 216 -8.595 -9.348 4.439 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.264 -11.648 3.896 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.589 -12.181 3.618 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.124 -11.746 5.259 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.841 -10.088 2.471 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.879 -10.779 1.623 1.00 0.00 C ATOM 1246 C ALA A 217 -1.596 -11.086 2.391 1.00 0.00 C ATOM 1247 O ALA A 217 -1.071 -12.198 2.324 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.577 -9.950 0.388 1.00 0.00 C ATOM 0 H ALA A 217 -4.037 -9.128 2.189 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.317 -11.726 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.857 -10.478 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.496 -9.788 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.161 -8.988 0.688 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.097 -10.096 3.123 1.00 0.00 N ATOM 1255 CA CYS A 218 0.084 -10.286 3.953 1.00 0.00 C ATOM 1256 C CYS A 218 -0.251 -11.167 5.152 1.00 0.00 C ATOM 1257 O CYS A 218 0.539 -12.024 5.550 1.00 0.00 O ATOM 1258 CB CYS A 218 0.634 -8.937 4.425 1.00 0.00 C ATOM 1259 SG CYS A 218 2.025 -9.065 5.576 1.00 0.00 S ATOM 0 H CYS A 218 -1.492 -9.156 3.158 1.00 0.00 H new ATOM 0 HA CYS A 218 0.850 -10.780 3.355 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.949 -8.361 3.555 1.00 0.00 H new ATOM 0 HB3 CYS A 218 -0.169 -8.377 4.904 1.00 0.00 H new ATOM 0 HG CYS A 218 2.954 -8.225 5.229 1.00 0.00 H new ATOM 1472 N THR B 2 -2.257 4.251 -2.538 1.00 0.00 N ATOM 1473 CA THR B 2 -2.092 5.695 -2.609 1.00 0.00 C ATOM 1474 C THR B 2 -2.527 6.290 -1.283 1.00 0.00 C ATOM 1475 O THR B 2 -3.341 5.674 -0.602 1.00 0.00 O ATOM 1476 CB THR B 2 -2.896 6.336 -3.770 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.453 7.589 -3.358 1.00 0.00 O ATOM 1478 CG2 THR B 2 -4.012 5.436 -4.265 1.00 0.00 C ATOM 0 HA THR B 2 -1.042 5.909 -2.808 1.00 0.00 H new ATOM 0 HB THR B 2 -2.195 6.488 -4.591 1.00 0.00 H new ATOM 0 HG1 THR B 2 -4.195 7.828 -3.952 1.00 0.00 H new ATOM 0 HG21 THR B 2 -4.545 5.930 -5.077 1.00 0.00 H new ATOM 0 HG22 THR B 2 -3.590 4.498 -4.625 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.704 5.232 -3.448 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.983 7.441 -0.891 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.333 8.041 0.400 1.00 0.00 C ATOM 1488 C PHE B 3 -3.851 8.135 0.570 1.00 0.00 C ATOM 1489 O PHE B 3 -4.366 7.894 1.664 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.695 9.424 0.546 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.803 9.992 1.935 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.654 9.170 3.042 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -2.047 11.339 2.135 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.746 9.681 4.320 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -2.139 11.857 3.416 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.988 11.024 4.509 1.00 0.00 C ATOM 0 H PHE B 3 -1.307 7.973 -1.439 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.942 7.394 1.185 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.643 9.361 0.269 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -2.169 10.110 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.463 8.116 2.902 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -2.167 11.993 1.284 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.628 9.028 5.172 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.328 12.910 3.561 1.00 0.00 H new ATOM 0 HZ PHE B 3 -2.060 11.425 5.509 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.042 6.089 -0.551 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.504 4.731 -0.279 1.00 0.00 C ATOM 1528 C ASP B 5 -6.423 4.376 1.208 1.00 0.00 C ATOM 1529 O ASP B 5 -7.430 3.995 1.803 1.00 0.00 O ATOM 1530 CB ASP B 5 -5.698 3.743 -1.141 1.00 0.00 C ATOM 1531 CG ASP B 5 -5.600 2.354 -0.558 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -4.548 2.060 0.043 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -6.528 1.545 -0.743 1.00 0.00 O ATOM 0 HA ASP B 5 -7.559 4.664 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -6.157 3.680 -2.128 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -4.692 4.138 -1.282 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.248 4.519 1.821 1.00 0.00 N ATOM 1540 CA LEU B 6 -5.119 4.181 3.236 1.00 0.00 C ATOM 1541 C LEU B 6 -5.897 5.163 4.121 1.00 0.00 C ATOM 1542 O LEU B 6 -6.380 4.783 5.186 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.662 3.952 3.719 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.601 5.038 3.521 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -2.256 5.231 2.066 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -3.019 6.338 4.173 1.00 0.00 C ATOM 0 H LEU B 6 -4.395 4.857 1.375 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.584 3.201 3.345 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.707 3.736 4.786 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.297 3.051 3.226 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.693 4.697 4.018 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -1.500 6.010 1.972 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -1.868 4.298 1.657 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -3.150 5.524 1.516 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -2.245 7.089 4.015 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.954 6.682 3.732 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -3.159 6.180 5.242 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.016 6.421 3.688 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.835 7.394 4.408 1.00 0.00 C ATOM 1560 C LEU B 7 -8.278 6.919 4.483 1.00 0.00 C ATOM 1561 O LEU B 7 -8.842 6.813 5.570 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.793 8.767 3.736 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.525 9.592 3.984 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.638 10.955 3.322 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.267 9.757 5.473 1.00 0.00 C ATOM 0 H LEU B 7 -5.560 6.785 2.851 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.424 7.485 5.413 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.909 8.628 2.661 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.652 9.344 4.078 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.684 9.055 3.545 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.729 11.527 3.509 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.773 10.828 2.248 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.494 11.490 3.734 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.362 10.346 5.622 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.112 10.267 5.934 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.141 8.776 5.931 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.271 4.083 4.028 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.209 2.823 4.758 1.00 0.00 C ATOM 1599 C TYR B 9 -9.339 3.054 6.263 1.00 0.00 C ATOM 1600 O TYR B 9 -10.143 2.406 6.931 1.00 0.00 O ATOM 1601 CB TYR B 9 -7.893 2.097 4.439 1.00 0.00 C ATOM 1602 CG TYR B 9 -7.557 0.976 5.398 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -8.238 -0.233 5.359 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -6.562 1.142 6.352 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -7.935 -1.249 6.246 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -6.256 0.132 7.244 1.00 0.00 C ATOM 1607 CZ TYR B 9 -6.944 -1.061 7.187 1.00 0.00 C ATOM 1608 OH TYR B 9 -6.645 -2.065 8.082 1.00 0.00 O ATOM 0 HA TYR B 9 -10.045 2.200 4.441 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -7.950 1.692 3.429 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.080 2.822 4.446 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.016 -0.382 4.625 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.019 2.074 6.398 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -8.471 -2.185 6.202 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -5.481 0.277 7.982 1.00 0.00 H new ATOM 0 HH TYR B 9 -5.923 -1.770 8.675 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.526 3.955 6.795 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.560 4.272 8.216 1.00 0.00 C ATOM 1620 C TYR B 10 -9.803 5.069 8.588 1.00 0.00 C ATOM 1621 O TYR B 10 -10.528 4.713 9.520 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.300 5.031 8.629 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.100 4.133 8.807 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -5.895 3.468 10.004 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.179 3.943 7.783 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -4.811 2.636 10.182 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.090 3.112 7.954 1.00 0.00 C ATOM 1628 CZ TYR B 10 -3.911 2.462 9.158 1.00 0.00 C ATOM 1629 OH TYR B 10 -2.837 1.625 9.338 1.00 0.00 O ATOM 0 H TYR B 10 -7.833 4.481 6.263 1.00 0.00 H new ATOM 0 HA TYR B 10 -8.597 3.327 8.759 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.074 5.785 7.875 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.492 5.561 9.562 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -6.598 3.604 10.813 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.317 4.453 6.841 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -4.669 2.123 11.122 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.382 2.971 7.150 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.010 0.770 8.892 1.00 0.00 H new