USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 215 MET CE :methyl -126:sc= -0.87 (180deg=-1.06) USER MOD Set 1.2: B 10 TYR OH : rot 30:sc= -0.0033 USER MOD Set 2.1: A 155 GLN : amide:sc= 0.852 K(o=2,f=0.73) USER MOD Set 2.2: A 195 ASN : amide:sc= 1.13 K(o=2,f=-3.2!) USER MOD Set 2.3: A 198 CYS SG : rot -100:sc= -0.0116 USER MOD Single : A 158 LYS NZ :NH3+ 167:sc= -0.033 (180deg=-0.213) USER MOD Single : A 164 TYR OH : rot 173:sc= -1.97! USER MOD Single : A 169 TYR OH : rot 180:sc= 0.0564 USER MOD Single : A 170 LYS NZ :NH3+ 162:sc= -0.72 (180deg=-1.47) USER MOD Single : A 171 THR OG1 : rot 95:sc= 1.22 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 USER MOD Single : A 179 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 182 LYS NZ :NH3+ 176:sc= 1.36 (180deg=1.29) USER MOD Single : A 183 ASN : amide:sc= -6.61! C(o=-6.6!,f=-9.1!) USER MOD Single : A 186 THR OG1 : rot 77:sc= -0.285 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0.00463 USER MOD Single : A 192 GLN :FLIP amide:sc= -0.258 F(o=-2.1,f=-0.26) USER MOD Single : A 193 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 203 LYS NZ :NH3+ -162:sc= -0.0376 (180deg=-0.413) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 214 MET CE :methyl 145:sc= -0.672 (180deg=-3.71!) USER MOD Single : A 216 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 218 CYS SG : rot -35:sc=-0.00523 USER MOD Single : B 2 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 10.281 8.936 4.712 1.00 0.00 N ATOM 171 CA ILE A 150 9.373 8.055 3.952 1.00 0.00 C ATOM 172 C ILE A 150 10.121 6.951 3.185 1.00 0.00 C ATOM 173 O ILE A 150 9.519 5.968 2.754 1.00 0.00 O ATOM 174 CB ILE A 150 8.417 8.835 2.999 1.00 0.00 C ATOM 175 CG1 ILE A 150 7.106 8.063 2.819 1.00 0.00 C ATOM 176 CG2 ILE A 150 9.052 9.088 1.639 1.00 0.00 C ATOM 177 CD1 ILE A 150 6.326 7.874 4.106 1.00 0.00 C ATOM 0 HA ILE A 150 8.753 7.573 4.708 1.00 0.00 H new ATOM 0 HB ILE A 150 8.215 9.802 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 150 6.480 8.591 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 150 7.327 7.085 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 150 8.352 9.634 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 150 9.961 9.676 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 150 9.298 8.136 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.411 7.319 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.933 7.319 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 150 6.073 8.848 4.524 1.00 0.00 H new ATOM 189 N LEU A 151 11.431 7.105 3.040 1.00 0.00 N ATOM 190 CA LEU A 151 12.254 6.104 2.377 1.00 0.00 C ATOM 191 C LEU A 151 12.711 5.054 3.379 1.00 0.00 C ATOM 192 O LEU A 151 12.923 3.893 3.031 1.00 0.00 O ATOM 193 CB LEU A 151 13.472 6.765 1.723 1.00 0.00 C ATOM 194 CG LEU A 151 13.151 7.814 0.656 1.00 0.00 C ATOM 195 CD1 LEU A 151 14.432 8.446 0.130 1.00 0.00 C ATOM 196 CD2 LEU A 151 12.355 7.191 -0.482 1.00 0.00 C ATOM 0 H LEU A 151 11.948 7.918 3.375 1.00 0.00 H new ATOM 0 HA LEU A 151 11.657 5.621 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 151 14.072 7.235 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 151 14.088 5.988 1.271 1.00 0.00 H new ATOM 0 HG LEU A 151 12.543 8.596 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 151 14.186 9.190 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 151 14.964 8.927 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 151 15.064 7.675 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 151 12.136 7.951 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.937 6.390 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 151 11.421 6.785 -0.093 1.00 0.00 H new ATOM 208 N ASP A 152 12.858 5.476 4.632 1.00 0.00 N ATOM 209 CA ASP A 152 13.288 4.578 5.698 1.00 0.00 C ATOM 210 C ASP A 152 12.106 3.813 6.275 1.00 0.00 C ATOM 211 O ASP A 152 12.278 2.925 7.115 1.00 0.00 O ATOM 212 CB ASP A 152 14.004 5.347 6.815 1.00 0.00 C ATOM 213 CG ASP A 152 15.373 5.843 6.400 1.00 0.00 C ATOM 214 OD1 ASP A 152 16.298 5.012 6.278 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.533 7.066 6.197 1.00 0.00 O ATOM 0 H ASP A 152 12.685 6.435 4.933 1.00 0.00 H new ATOM 0 HA ASP A 152 13.989 3.866 5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 152 13.391 6.196 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 152 14.105 4.701 7.687 1.00 0.00 H new ATOM 221 N ILE A 153 10.906 4.159 5.825 1.00 0.00 N ATOM 222 CA ILE A 153 9.703 3.467 6.265 1.00 0.00 C ATOM 223 C ILE A 153 9.592 2.126 5.547 1.00 0.00 C ATOM 224 O ILE A 153 8.881 1.989 4.553 1.00 0.00 O ATOM 225 CB ILE A 153 8.425 4.307 6.013 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.552 5.690 6.663 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.188 3.588 6.547 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.697 5.646 8.168 1.00 0.00 C ATOM 0 H ILE A 153 10.741 4.913 5.158 1.00 0.00 H new ATOM 0 HA ILE A 153 9.785 3.308 7.340 1.00 0.00 H new ATOM 0 HB ILE A 153 8.313 4.434 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.415 6.203 6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.673 6.283 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.304 4.197 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.081 2.627 6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.296 3.427 7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.781 6.661 8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.822 5.163 8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.592 5.082 8.431 1.00 0.00 H new ATOM 240 N ARG A 154 10.331 1.154 6.052 1.00 0.00 N ATOM 241 CA ARG A 154 10.355 -0.177 5.476 1.00 0.00 C ATOM 242 C ARG A 154 9.587 -1.149 6.362 1.00 0.00 C ATOM 243 O ARG A 154 9.419 -0.913 7.560 1.00 0.00 O ATOM 244 CB ARG A 154 11.806 -0.653 5.323 1.00 0.00 C ATOM 245 CG ARG A 154 11.921 -2.090 4.847 1.00 0.00 C ATOM 246 CD ARG A 154 13.316 -2.648 5.029 1.00 0.00 C ATOM 247 NE ARG A 154 13.313 -4.109 5.011 1.00 0.00 N ATOM 248 CZ ARG A 154 14.395 -4.860 5.190 1.00 0.00 C ATOM 249 NH1 ARG A 154 15.581 -4.286 5.365 1.00 0.00 N ATOM 250 NH2 ARG A 154 14.285 -6.182 5.200 1.00 0.00 N ATOM 0 H ARG A 154 10.929 1.265 6.870 1.00 0.00 H new ATOM 0 HA ARG A 154 9.881 -0.143 4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.322 -0.002 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.316 -0.553 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 154 11.211 -2.709 5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 154 11.645 -2.144 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 154 13.965 -2.274 4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 154 13.730 -2.295 5.974 1.00 0.00 H new ATOM 0 HE ARG A 154 12.424 -4.583 4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 154 15.661 -3.269 5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 154 16.411 -4.862 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 154 13.372 -6.619 5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 154 15.113 -6.762 5.337 1.00 0.00 H new ATOM 264 N GLN A 155 9.110 -2.228 5.762 1.00 0.00 N ATOM 265 CA GLN A 155 8.498 -3.314 6.505 1.00 0.00 C ATOM 266 C GLN A 155 9.581 -4.288 6.951 1.00 0.00 C ATOM 267 O GLN A 155 10.412 -4.706 6.144 1.00 0.00 O ATOM 268 CB GLN A 155 7.478 -4.040 5.624 1.00 0.00 C ATOM 269 CG GLN A 155 6.624 -5.044 6.378 1.00 0.00 C ATOM 270 CD GLN A 155 5.761 -5.875 5.450 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.390 -5.434 4.364 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.421 -7.078 5.878 1.00 0.00 N ATOM 0 H GLN A 155 9.136 -2.374 4.753 1.00 0.00 H new ATOM 0 HA GLN A 155 7.985 -2.912 7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 155 6.827 -3.303 5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.006 -4.556 4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.269 -5.703 6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 155 5.987 -4.516 7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.749 -7.408 6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.830 -7.677 5.301 1.00 0.00 H new ATOM 281 N GLY A 156 9.590 -4.623 8.234 1.00 0.00 N ATOM 282 CA GLY A 156 10.554 -5.580 8.745 1.00 0.00 C ATOM 283 C GLY A 156 10.321 -6.973 8.188 1.00 0.00 C ATOM 284 O GLY A 156 9.212 -7.280 7.748 1.00 0.00 O ATOM 0 H GLY A 156 8.947 -4.249 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.562 -5.251 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.494 -5.610 9.833 1.00 0.00 H new ATOM 288 N PRO A 157 11.347 -7.840 8.207 1.00 0.00 N ATOM 289 CA PRO A 157 11.273 -9.192 7.632 1.00 0.00 C ATOM 290 C PRO A 157 10.083 -9.999 8.155 1.00 0.00 C ATOM 291 O PRO A 157 9.393 -10.672 7.387 1.00 0.00 O ATOM 292 CB PRO A 157 12.595 -9.848 8.060 1.00 0.00 C ATOM 293 CG PRO A 157 13.171 -8.951 9.105 1.00 0.00 C ATOM 294 CD PRO A 157 12.662 -7.573 8.797 1.00 0.00 C ATOM 0 HA PRO A 157 11.131 -9.154 6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.425 -10.850 8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 157 13.274 -9.949 7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.863 -9.266 10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.260 -8.978 9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.586 -6.959 9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.317 -7.045 8.104 1.00 0.00 H new ATOM 302 N LYS A 158 9.837 -9.927 9.459 1.00 0.00 N ATOM 303 CA LYS A 158 8.707 -10.627 10.058 1.00 0.00 C ATOM 304 C LYS A 158 7.717 -9.625 10.633 1.00 0.00 C ATOM 305 O LYS A 158 6.920 -9.953 11.510 1.00 0.00 O ATOM 306 CB LYS A 158 9.165 -11.594 11.155 1.00 0.00 C ATOM 307 CG LYS A 158 10.093 -12.691 10.662 1.00 0.00 C ATOM 308 CD LYS A 158 10.209 -13.819 11.674 1.00 0.00 C ATOM 309 CE LYS A 158 8.883 -14.546 11.858 1.00 0.00 C ATOM 310 NZ LYS A 158 8.441 -15.229 10.611 1.00 0.00 N ATOM 0 H LYS A 158 10.403 -9.393 10.119 1.00 0.00 H new ATOM 0 HA LYS A 158 8.222 -11.209 9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.671 -11.028 11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.287 -12.052 11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.721 -13.086 9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 158 11.081 -12.273 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.970 -14.527 11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 158 10.540 -13.417 12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 158 8.980 -15.280 12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 158 8.120 -13.833 12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 7.664 -15.884 10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 8.112 -14.520 9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 9.238 -15.760 10.205 1.00 0.00 H new ATOM 324 N GLU A 159 7.772 -8.403 10.132 1.00 0.00 N ATOM 325 CA GLU A 159 6.917 -7.339 10.618 1.00 0.00 C ATOM 326 C GLU A 159 5.619 -7.281 9.815 1.00 0.00 C ATOM 327 O GLU A 159 5.629 -7.423 8.590 1.00 0.00 O ATOM 328 CB GLU A 159 7.681 -6.023 10.536 1.00 0.00 C ATOM 329 CG GLU A 159 6.885 -4.799 10.933 1.00 0.00 C ATOM 330 CD GLU A 159 7.783 -3.642 11.288 1.00 0.00 C ATOM 331 OE1 GLU A 159 7.819 -3.259 12.474 1.00 0.00 O ATOM 332 OE2 GLU A 159 8.475 -3.122 10.388 1.00 0.00 O ATOM 0 H GLU A 159 8.406 -8.124 9.383 1.00 0.00 H new ATOM 0 HA GLU A 159 6.643 -7.529 11.656 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.561 -6.090 11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 159 8.039 -5.890 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 159 6.227 -4.511 10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 159 6.248 -5.039 11.784 1.00 0.00 H new ATOM 340 N PRO A 160 4.483 -7.095 10.509 1.00 0.00 N ATOM 341 CA PRO A 160 3.157 -7.047 9.884 1.00 0.00 C ATOM 342 C PRO A 160 3.007 -5.891 8.903 1.00 0.00 C ATOM 343 O PRO A 160 3.258 -4.734 9.244 1.00 0.00 O ATOM 344 CB PRO A 160 2.196 -6.842 11.062 1.00 0.00 C ATOM 345 CG PRO A 160 2.966 -7.218 12.277 1.00 0.00 C ATOM 346 CD PRO A 160 4.405 -6.922 11.968 1.00 0.00 C ATOM 0 HA PRO A 160 2.969 -7.951 9.305 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.858 -5.807 11.117 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.306 -7.462 10.954 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.629 -6.649 13.143 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.828 -8.273 12.515 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.681 -5.911 12.268 1.00 0.00 H new ATOM 0 HD3 PRO A 160 5.077 -7.604 12.490 1.00 0.00 H new ATOM 354 N PHE A 161 2.577 -6.218 7.688 1.00 0.00 N ATOM 355 CA PHE A 161 2.258 -5.212 6.679 1.00 0.00 C ATOM 356 C PHE A 161 1.137 -4.307 7.186 1.00 0.00 C ATOM 357 O PHE A 161 1.019 -3.151 6.781 1.00 0.00 O ATOM 358 CB PHE A 161 1.848 -5.902 5.372 1.00 0.00 C ATOM 359 CG PHE A 161 1.462 -4.961 4.261 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.429 -4.343 3.486 1.00 0.00 C ATOM 361 CD2 PHE A 161 0.128 -4.705 3.988 1.00 0.00 C ATOM 362 CE1 PHE A 161 2.072 -3.487 2.461 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.234 -3.850 2.967 1.00 0.00 C ATOM 364 CZ PHE A 161 0.738 -3.240 2.201 1.00 0.00 C ATOM 0 H PHE A 161 2.441 -7.180 7.376 1.00 0.00 H new ATOM 0 HA PHE A 161 3.138 -4.598 6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 161 2.674 -6.526 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 161 1.009 -6.567 5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.474 -4.532 3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.638 -5.181 4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.836 -3.011 1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.278 -3.658 2.768 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.457 -2.572 1.401 1.00 0.00 H new ATOM 374 N ARG A 162 0.330 -4.847 8.094 1.00 0.00 N ATOM 375 CA ARG A 162 -0.750 -4.098 8.721 1.00 0.00 C ATOM 376 C ARG A 162 -0.182 -2.918 9.509 1.00 0.00 C ATOM 377 O ARG A 162 -0.603 -1.777 9.325 1.00 0.00 O ATOM 378 CB ARG A 162 -1.550 -5.026 9.642 1.00 0.00 C ATOM 379 CG ARG A 162 -2.881 -4.457 10.108 1.00 0.00 C ATOM 380 CD ARG A 162 -3.611 -5.453 10.993 1.00 0.00 C ATOM 381 NE ARG A 162 -4.977 -5.030 11.304 1.00 0.00 N ATOM 382 CZ ARG A 162 -5.797 -5.704 12.108 1.00 0.00 C ATOM 383 NH1 ARG A 162 -5.376 -6.809 12.710 1.00 0.00 N ATOM 384 NH2 ARG A 162 -7.032 -5.270 12.315 1.00 0.00 N ATOM 0 H ARG A 162 0.407 -5.812 8.414 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.414 -3.707 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -1.733 -5.965 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -0.943 -5.261 10.517 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -2.714 -3.530 10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -3.499 -4.209 9.245 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.639 -6.423 10.497 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.055 -5.585 11.921 1.00 0.00 H new ATOM 0 HE ARG A 162 -5.321 -4.168 10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.424 -7.142 12.557 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.004 -7.325 13.326 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -7.356 -4.418 11.858 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -7.658 -5.788 12.931 1.00 0.00 H new ATOM 398 N ASP A 163 0.804 -3.200 10.360 1.00 0.00 N ATOM 399 CA ASP A 163 1.446 -2.156 11.157 1.00 0.00 C ATOM 400 C ASP A 163 2.354 -1.301 10.276 1.00 0.00 C ATOM 401 O ASP A 163 2.549 -0.113 10.532 1.00 0.00 O ATOM 402 CB ASP A 163 2.248 -2.773 12.307 1.00 0.00 C ATOM 403 CG ASP A 163 2.791 -1.729 13.267 1.00 0.00 C ATOM 404 OD1 ASP A 163 4.021 -1.503 13.282 1.00 0.00 O ATOM 405 OD2 ASP A 163 1.989 -1.137 14.025 1.00 0.00 O ATOM 0 H ASP A 163 1.174 -4.138 10.515 1.00 0.00 H new ATOM 0 HA ASP A 163 0.670 -1.519 11.582 1.00 0.00 H new ATOM 0 HB2 ASP A 163 1.613 -3.470 12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.077 -3.351 11.898 1.00 0.00 H new ATOM 411 N TYR A 164 2.890 -1.912 9.222 1.00 0.00 N ATOM 412 CA TYR A 164 3.726 -1.204 8.262 1.00 0.00 C ATOM 413 C TYR A 164 2.928 -0.095 7.584 1.00 0.00 C ATOM 414 O TYR A 164 3.369 1.054 7.525 1.00 0.00 O ATOM 415 CB TYR A 164 4.283 -2.185 7.226 1.00 0.00 C ATOM 416 CG TYR A 164 4.882 -1.527 6.003 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.954 -0.650 6.110 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.371 -1.789 4.740 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.496 -0.052 4.988 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.909 -1.196 3.615 1.00 0.00 C ATOM 421 CZ TYR A 164 5.970 -0.327 3.744 1.00 0.00 C ATOM 422 OH TYR A 164 6.509 0.264 2.628 1.00 0.00 O ATOM 0 H TYR A 164 2.758 -2.901 9.013 1.00 0.00 H new ATOM 0 HA TYR A 164 4.564 -0.748 8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 164 5.045 -2.803 7.701 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.482 -2.853 6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.369 -0.433 7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.538 -2.468 4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.329 0.629 5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.500 -1.412 2.639 1.00 0.00 H new ATOM 0 HH TYR A 164 6.105 -0.125 1.824 1.00 0.00 H new ATOM 432 N VAL A 165 1.748 -0.449 7.088 1.00 0.00 N ATOM 433 CA VAL A 165 0.847 0.516 6.475 1.00 0.00 C ATOM 434 C VAL A 165 0.409 1.566 7.484 1.00 0.00 C ATOM 435 O VAL A 165 0.322 2.749 7.156 1.00 0.00 O ATOM 436 CB VAL A 165 -0.386 -0.191 5.866 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.604 0.719 5.832 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.066 -0.679 4.464 1.00 0.00 C ATOM 0 H VAL A 165 1.392 -1.405 7.100 1.00 0.00 H new ATOM 0 HA VAL A 165 1.389 1.015 5.672 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.626 -1.041 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.447 0.182 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.855 1.028 6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.384 1.599 5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.940 -1.176 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.206 0.170 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.766 -1.382 4.504 1.00 0.00 H new ATOM 448 N ASP A 166 0.147 1.132 8.711 1.00 0.00 N ATOM 449 CA ASP A 166 -0.251 2.044 9.778 1.00 0.00 C ATOM 450 C ASP A 166 0.791 3.144 9.959 1.00 0.00 C ATOM 451 O ASP A 166 0.460 4.330 9.987 1.00 0.00 O ATOM 452 CB ASP A 166 -0.444 1.280 11.090 1.00 0.00 C ATOM 453 CG ASP A 166 -0.864 2.178 12.239 1.00 0.00 C ATOM 454 OD1 ASP A 166 -2.084 2.310 12.483 1.00 0.00 O ATOM 455 OD2 ASP A 166 0.021 2.747 12.910 1.00 0.00 O ATOM 0 H ASP A 166 0.203 0.153 8.993 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.198 2.505 9.499 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -1.198 0.506 10.946 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.486 0.775 11.351 1.00 0.00 H new ATOM 461 N ARG A 167 2.058 2.748 10.041 1.00 0.00 N ATOM 462 CA ARG A 167 3.138 3.710 10.195 1.00 0.00 C ATOM 463 C ARG A 167 3.343 4.501 8.917 1.00 0.00 C ATOM 464 O ARG A 167 3.498 5.717 8.956 1.00 0.00 O ATOM 465 CB ARG A 167 4.449 3.021 10.562 1.00 0.00 C ATOM 466 CG ARG A 167 4.384 2.195 11.830 1.00 0.00 C ATOM 467 CD ARG A 167 5.768 1.734 12.250 1.00 0.00 C ATOM 468 NE ARG A 167 6.504 1.120 11.143 1.00 0.00 N ATOM 469 CZ ARG A 167 7.059 -0.088 11.207 1.00 0.00 C ATOM 470 NH1 ARG A 167 6.907 -0.821 12.302 1.00 0.00 N ATOM 471 NH2 ARG A 167 7.749 -0.569 10.176 1.00 0.00 N ATOM 0 H ARG A 167 2.358 1.774 10.003 1.00 0.00 H new ATOM 0 HA ARG A 167 2.851 4.384 11.002 1.00 0.00 H new ATOM 0 HB2 ARG A 167 4.750 2.376 9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 167 5.225 3.778 10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 167 3.935 2.784 12.629 1.00 0.00 H new ATOM 0 HG3 ARG A 167 3.741 1.329 11.672 1.00 0.00 H new ATOM 0 HD2 ARG A 167 6.332 2.585 12.632 1.00 0.00 H new ATOM 0 HD3 ARG A 167 5.679 1.018 13.067 1.00 0.00 H new ATOM 0 HE ARG A 167 6.596 1.647 10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 167 6.368 -0.458 13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 167 7.329 -1.748 12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 167 7.856 -0.011 9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 167 8.171 -1.496 10.233 1.00 0.00 H new ATOM 485 N PHE A 168 3.350 3.799 7.786 1.00 0.00 N ATOM 486 CA PHE A 168 3.555 4.433 6.490 1.00 0.00 C ATOM 487 C PHE A 168 2.535 5.546 6.284 1.00 0.00 C ATOM 488 O PHE A 168 2.896 6.681 5.984 1.00 0.00 O ATOM 489 CB PHE A 168 3.446 3.395 5.364 1.00 0.00 C ATOM 490 CG PHE A 168 3.759 3.939 3.999 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.774 4.561 3.246 1.00 0.00 C ATOM 492 CD2 PHE A 168 5.035 3.831 3.468 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.057 5.064 1.994 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.322 4.333 2.214 1.00 0.00 C ATOM 495 CZ PHE A 168 4.331 4.952 1.475 1.00 0.00 C ATOM 0 H PHE A 168 3.216 2.789 7.743 1.00 0.00 H new ATOM 0 HA PHE A 168 4.555 4.865 6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.124 2.569 5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.436 2.985 5.358 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.775 4.652 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.813 3.349 4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.281 5.546 1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.320 4.242 1.811 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.553 5.347 0.495 1.00 0.00 H new ATOM 505 N TYR A 169 1.267 5.208 6.476 1.00 0.00 N ATOM 506 CA TYR A 169 0.178 6.165 6.338 1.00 0.00 C ATOM 507 C TYR A 169 0.350 7.350 7.291 1.00 0.00 C ATOM 508 O TYR A 169 0.305 8.503 6.862 1.00 0.00 O ATOM 509 CB TYR A 169 -1.156 5.450 6.575 1.00 0.00 C ATOM 510 CG TYR A 169 -2.240 6.300 7.203 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.745 7.421 6.556 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.755 5.975 8.452 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.731 8.192 7.140 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.739 6.741 9.040 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.225 7.849 8.381 1.00 0.00 C ATOM 516 OH TYR A 169 -5.202 8.617 8.968 1.00 0.00 O ATOM 0 H TYR A 169 0.965 4.267 6.731 1.00 0.00 H new ATOM 0 HA TYR A 169 0.190 6.570 5.326 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.521 5.071 5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.978 4.586 7.215 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.362 7.693 5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.378 5.107 8.972 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.114 9.061 6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -4.127 6.474 10.012 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.438 8.236 9.839 1.00 0.00 H new ATOM 526 N LYS A 170 0.550 7.071 8.576 1.00 0.00 N ATOM 527 CA LYS A 170 0.680 8.133 9.573 1.00 0.00 C ATOM 528 C LYS A 170 1.900 9.006 9.293 1.00 0.00 C ATOM 529 O LYS A 170 1.837 10.229 9.432 1.00 0.00 O ATOM 530 CB LYS A 170 0.755 7.552 10.988 1.00 0.00 C ATOM 531 CG LYS A 170 -0.561 6.964 11.479 1.00 0.00 C ATOM 532 CD LYS A 170 -1.632 8.032 11.674 1.00 0.00 C ATOM 533 CE LYS A 170 -1.608 8.636 13.076 1.00 0.00 C ATOM 534 NZ LYS A 170 -0.347 9.366 13.373 1.00 0.00 N ATOM 0 H LYS A 170 0.625 6.126 8.951 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.210 8.758 9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 170 1.521 6.777 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.072 8.335 11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -0.916 6.223 10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -0.395 6.442 12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -1.489 8.824 10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -2.613 7.596 11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -2.451 9.318 13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -1.743 7.842 13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -0.495 9.998 14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 0.405 8.683 13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -0.068 9.928 12.544 1.00 0.00 H new ATOM 548 N THR A 171 2.998 8.380 8.892 1.00 0.00 N ATOM 549 CA THR A 171 4.201 9.112 8.536 1.00 0.00 C ATOM 550 C THR A 171 3.937 9.993 7.325 1.00 0.00 C ATOM 551 O THR A 171 4.122 11.205 7.373 1.00 0.00 O ATOM 552 CB THR A 171 5.373 8.158 8.224 1.00 0.00 C ATOM 553 OG1 THR A 171 5.596 7.280 9.334 1.00 0.00 O ATOM 554 CG2 THR A 171 6.646 8.935 7.928 1.00 0.00 C ATOM 0 H THR A 171 3.078 7.367 8.806 1.00 0.00 H new ATOM 0 HA THR A 171 4.476 9.729 9.392 1.00 0.00 H new ATOM 0 HB THR A 171 5.110 7.575 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.120 6.436 9.185 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.456 8.238 7.712 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.485 9.583 7.066 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.911 9.542 8.794 1.00 0.00 H new ATOM 562 N LEU A 172 3.448 9.367 6.264 1.00 0.00 N ATOM 563 CA LEU A 172 3.205 10.039 4.995 1.00 0.00 C ATOM 564 C LEU A 172 2.187 11.171 5.145 1.00 0.00 C ATOM 565 O LEU A 172 2.266 12.190 4.453 1.00 0.00 O ATOM 566 CB LEU A 172 2.720 9.009 3.977 1.00 0.00 C ATOM 567 CG LEU A 172 2.461 9.537 2.574 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.710 10.189 2.004 1.00 0.00 C ATOM 569 CD2 LEU A 172 2.006 8.404 1.684 1.00 0.00 C ATOM 0 H LEU A 172 3.208 8.376 6.259 1.00 0.00 H new ATOM 0 HA LEU A 172 4.135 10.490 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 172 3.460 8.212 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.800 8.561 4.352 1.00 0.00 H new ATOM 0 HG LEU A 172 1.678 10.294 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.501 10.559 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 172 4.010 11.020 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.515 9.456 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 172 1.821 8.783 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.780 7.638 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 172 1.088 7.973 2.084 1.00 0.00 H new ATOM 581 N ARG A 173 1.235 10.989 6.047 1.00 0.00 N ATOM 582 CA ARG A 173 0.246 12.017 6.349 1.00 0.00 C ATOM 583 C ARG A 173 0.926 13.262 6.916 1.00 0.00 C ATOM 584 O ARG A 173 0.467 14.385 6.702 1.00 0.00 O ATOM 585 CB ARG A 173 -0.785 11.461 7.339 1.00 0.00 C ATOM 586 CG ARG A 173 -1.926 12.411 7.658 1.00 0.00 C ATOM 587 CD ARG A 173 -2.997 11.719 8.489 1.00 0.00 C ATOM 588 NE ARG A 173 -4.021 12.647 8.958 1.00 0.00 N ATOM 589 CZ ARG A 173 -4.965 12.335 9.844 1.00 0.00 C ATOM 590 NH1 ARG A 173 -5.068 11.096 10.314 1.00 0.00 N ATOM 591 NH2 ARG A 173 -5.817 13.262 10.249 1.00 0.00 N ATOM 0 H ARG A 173 1.125 10.131 6.588 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.266 12.304 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -1.200 10.538 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.276 11.200 8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.543 13.276 8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -2.364 12.783 6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.466 10.935 7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.531 11.233 9.346 1.00 0.00 H new ATOM 0 HE ARG A 173 -4.013 13.596 8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -4.421 10.375 9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -5.794 10.867 10.992 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.750 14.212 9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.542 13.027 10.927 1.00 0.00 H new ATOM 605 N ALA A 174 2.042 13.059 7.604 1.00 0.00 N ATOM 606 CA ALA A 174 2.762 14.152 8.247 1.00 0.00 C ATOM 607 C ALA A 174 3.954 14.614 7.407 1.00 0.00 C ATOM 608 O ALA A 174 4.587 15.624 7.720 1.00 0.00 O ATOM 609 CB ALA A 174 3.231 13.724 9.631 1.00 0.00 C ATOM 0 H ALA A 174 2.471 12.142 7.732 1.00 0.00 H new ATOM 0 HA ALA A 174 2.076 14.994 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 174 3.768 14.546 10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 174 2.368 13.456 10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 174 3.893 12.863 9.541 1.00 0.00 H new ATOM 615 N GLU A 175 4.261 13.872 6.347 1.00 0.00 N ATOM 616 CA GLU A 175 5.406 14.189 5.498 1.00 0.00 C ATOM 617 C GLU A 175 5.187 15.479 4.716 1.00 0.00 C ATOM 618 O GLU A 175 4.079 15.759 4.241 1.00 0.00 O ATOM 619 CB GLU A 175 5.710 13.037 4.535 1.00 0.00 C ATOM 620 CG GLU A 175 6.259 11.799 5.224 1.00 0.00 C ATOM 621 CD GLU A 175 7.485 12.102 6.062 1.00 0.00 C ATOM 622 OE1 GLU A 175 8.587 12.208 5.488 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.347 12.260 7.296 1.00 0.00 O ATOM 0 H GLU A 175 3.734 13.049 6.055 1.00 0.00 H new ATOM 0 HA GLU A 175 6.263 14.333 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.798 12.771 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 175 6.429 13.377 3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.486 11.366 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 175 6.511 11.050 4.473 1.00 0.00 H new ATOM 631 N GLN A 176 6.262 16.245 4.577 1.00 0.00 N ATOM 632 CA GLN A 176 6.217 17.546 3.925 1.00 0.00 C ATOM 633 C GLN A 176 6.171 17.398 2.405 1.00 0.00 C ATOM 634 O GLN A 176 7.208 17.348 1.741 1.00 0.00 O ATOM 635 CB GLN A 176 7.435 18.375 4.352 1.00 0.00 C ATOM 636 CG GLN A 176 7.519 19.750 3.701 1.00 0.00 C ATOM 637 CD GLN A 176 8.741 20.530 4.147 1.00 0.00 C ATOM 638 OE1 GLN A 176 9.771 19.952 4.499 1.00 0.00 O ATOM 639 NE2 GLN A 176 8.644 21.848 4.128 1.00 0.00 N ATOM 0 H GLN A 176 7.188 15.981 4.913 1.00 0.00 H new ATOM 0 HA GLN A 176 5.307 18.061 4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 176 7.413 18.500 5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 176 8.341 17.817 4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 176 7.541 19.635 2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 176 6.621 20.318 3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 176 7.775 22.291 3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 176 9.438 22.422 4.411 1.00 0.00 H new ATOM 648 N ALA A 177 4.960 17.314 1.873 1.00 0.00 N ATOM 649 CA ALA A 177 4.737 17.220 0.436 1.00 0.00 C ATOM 650 C ALA A 177 3.260 17.396 0.132 1.00 0.00 C ATOM 651 O ALA A 177 2.410 17.056 0.958 1.00 0.00 O ATOM 652 CB ALA A 177 5.227 15.881 -0.103 1.00 0.00 C ATOM 0 H ALA A 177 4.103 17.309 2.426 1.00 0.00 H new ATOM 0 HA ALA A 177 5.303 18.012 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 177 5.050 15.834 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 177 6.294 15.778 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.688 15.071 0.389 1.00 0.00 H new ATOM 658 N SER A 178 2.955 17.944 -1.037 1.00 0.00 N ATOM 659 CA SER A 178 1.577 18.092 -1.475 1.00 0.00 C ATOM 660 C SER A 178 0.910 16.726 -1.627 1.00 0.00 C ATOM 661 O SER A 178 1.520 15.790 -2.150 1.00 0.00 O ATOM 662 CB SER A 178 1.521 18.870 -2.791 1.00 0.00 C ATOM 663 OG SER A 178 2.113 20.150 -2.644 1.00 0.00 O ATOM 0 H SER A 178 3.647 18.294 -1.699 1.00 0.00 H new ATOM 0 HA SER A 178 1.030 18.653 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 178 2.039 18.312 -3.571 1.00 0.00 H new ATOM 0 HB3 SER A 178 0.485 18.978 -3.111 1.00 0.00 H new ATOM 0 HG SER A 178 2.069 20.631 -3.497 1.00 0.00 H new ATOM 669 N GLN A 179 -0.331 16.626 -1.161 1.00 0.00 N ATOM 670 CA GLN A 179 -1.035 15.348 -1.051 1.00 0.00 C ATOM 671 C GLN A 179 -0.964 14.521 -2.336 1.00 0.00 C ATOM 672 O GLN A 179 -0.482 13.389 -2.321 1.00 0.00 O ATOM 673 CB GLN A 179 -2.496 15.588 -0.668 1.00 0.00 C ATOM 674 CG GLN A 179 -3.298 14.310 -0.491 1.00 0.00 C ATOM 675 CD GLN A 179 -4.722 14.579 -0.051 1.00 0.00 C ATOM 676 OE1 GLN A 179 -4.996 15.558 0.644 1.00 0.00 O ATOM 677 NE2 GLN A 179 -5.637 13.716 -0.461 1.00 0.00 N ATOM 0 H GLN A 179 -0.879 17.427 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 179 -0.534 14.774 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -2.530 16.159 0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -2.968 16.200 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.309 13.758 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -2.807 13.675 0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.365 12.919 -1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -6.615 13.848 -0.202 1.00 0.00 H new ATOM 686 N GLU A 180 -1.418 15.100 -3.444 1.00 0.00 N ATOM 687 CA GLU A 180 -1.478 14.389 -4.721 1.00 0.00 C ATOM 688 C GLU A 180 -0.096 13.909 -5.158 1.00 0.00 C ATOM 689 O GLU A 180 0.042 12.840 -5.754 1.00 0.00 O ATOM 690 CB GLU A 180 -2.094 15.285 -5.796 1.00 0.00 C ATOM 691 CG GLU A 180 -3.502 15.753 -5.455 1.00 0.00 C ATOM 692 CD GLU A 180 -4.453 14.603 -5.188 1.00 0.00 C ATOM 693 OE1 GLU A 180 -4.944 13.993 -6.160 1.00 0.00 O ATOM 694 OE2 GLU A 180 -4.725 14.311 -4.004 1.00 0.00 O ATOM 0 H GLU A 180 -1.751 16.063 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 180 -2.108 13.510 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -1.455 16.156 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -2.118 14.743 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.463 16.398 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -3.889 16.356 -6.277 1.00 0.00 H new ATOM 702 N VAL A 181 0.925 14.694 -4.838 1.00 0.00 N ATOM 703 CA VAL A 181 2.298 14.326 -5.152 1.00 0.00 C ATOM 704 C VAL A 181 2.717 13.119 -4.320 1.00 0.00 C ATOM 705 O VAL A 181 3.423 12.230 -4.800 1.00 0.00 O ATOM 706 CB VAL A 181 3.274 15.491 -4.885 1.00 0.00 C ATOM 707 CG1 VAL A 181 4.703 15.087 -5.217 1.00 0.00 C ATOM 708 CG2 VAL A 181 2.866 16.722 -5.678 1.00 0.00 C ATOM 0 H VAL A 181 0.827 15.590 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 181 2.339 14.081 -6.213 1.00 0.00 H new ATOM 0 HB VAL A 181 3.230 15.736 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.373 15.924 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 181 4.994 14.237 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 181 4.768 14.810 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.566 17.533 -5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 181 2.877 16.489 -6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 181 1.862 17.028 -5.384 1.00 0.00 H new ATOM 718 N LYS A 182 2.256 13.090 -3.075 1.00 0.00 N ATOM 719 CA LYS A 182 2.568 11.996 -2.174 1.00 0.00 C ATOM 720 C LYS A 182 1.871 10.709 -2.610 1.00 0.00 C ATOM 721 O LYS A 182 2.443 9.628 -2.494 1.00 0.00 O ATOM 722 CB LYS A 182 2.188 12.345 -0.735 1.00 0.00 C ATOM 723 CG LYS A 182 3.083 13.411 -0.134 1.00 0.00 C ATOM 724 CD LYS A 182 2.878 13.567 1.366 1.00 0.00 C ATOM 725 CE LYS A 182 1.546 14.209 1.690 1.00 0.00 C ATOM 726 NZ LYS A 182 1.389 14.442 3.151 1.00 0.00 N ATOM 0 H LYS A 182 1.664 13.815 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 182 3.645 11.833 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 182 1.154 12.689 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 182 2.240 11.445 -0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 182 4.125 13.159 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 182 2.887 14.364 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 182 2.935 12.589 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 182 3.683 14.173 1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 182 1.460 15.157 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.738 13.570 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 0.495 14.944 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 1.378 13.529 3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 2.183 15.016 3.498 1.00 0.00 H new ATOM 740 N ASN A 183 0.642 10.830 -3.119 1.00 0.00 N ATOM 741 CA ASN A 183 -0.112 9.657 -3.577 1.00 0.00 C ATOM 742 C ASN A 183 0.670 8.913 -4.644 1.00 0.00 C ATOM 743 O ASN A 183 0.824 7.695 -4.573 1.00 0.00 O ATOM 744 CB ASN A 183 -1.488 10.016 -4.162 1.00 0.00 C ATOM 745 CG ASN A 183 -2.300 10.984 -3.317 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.174 11.029 -2.101 1.00 0.00 O ATOM 747 ND2 ASN A 183 -3.152 11.762 -3.967 1.00 0.00 N ATOM 0 H ASN A 183 0.151 11.718 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.265 9.036 -2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.346 10.449 -5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -2.063 9.099 -4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.730 12.427 -3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.230 11.697 -4.982 1.00 0.00 H new ATOM 754 N ALA A 184 1.170 9.661 -5.625 1.00 0.00 N ATOM 755 CA ALA A 184 1.919 9.084 -6.735 1.00 0.00 C ATOM 756 C ALA A 184 3.170 8.368 -6.239 1.00 0.00 C ATOM 757 O ALA A 184 3.539 7.311 -6.747 1.00 0.00 O ATOM 758 CB ALA A 184 2.290 10.167 -7.733 1.00 0.00 C ATOM 0 H ALA A 184 1.068 10.675 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 184 1.285 8.348 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.849 9.725 -8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.383 10.633 -8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 184 2.905 10.921 -7.240 1.00 0.00 H new ATOM 764 N ALA A 185 3.811 8.950 -5.237 1.00 0.00 N ATOM 765 CA ALA A 185 4.987 8.349 -4.631 1.00 0.00 C ATOM 766 C ALA A 185 4.609 7.086 -3.864 1.00 0.00 C ATOM 767 O ALA A 185 5.359 6.115 -3.834 1.00 0.00 O ATOM 768 CB ALA A 185 5.663 9.349 -3.708 1.00 0.00 C ATOM 0 H ALA A 185 3.534 9.841 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 185 5.685 8.071 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.544 8.891 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.963 10.227 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.968 9.647 -2.923 1.00 0.00 H new ATOM 774 N THR A 186 3.427 7.104 -3.265 1.00 0.00 N ATOM 775 CA THR A 186 2.949 5.985 -2.466 1.00 0.00 C ATOM 776 C THR A 186 2.780 4.734 -3.308 1.00 0.00 C ATOM 777 O THR A 186 3.106 3.629 -2.870 1.00 0.00 O ATOM 778 CB THR A 186 1.600 6.314 -1.813 1.00 0.00 C ATOM 779 OG1 THR A 186 1.694 7.533 -1.081 1.00 0.00 O ATOM 780 CG2 THR A 186 1.153 5.191 -0.888 1.00 0.00 C ATOM 0 H THR A 186 2.777 7.888 -3.318 1.00 0.00 H new ATOM 0 HA THR A 186 3.700 5.805 -1.697 1.00 0.00 H new ATOM 0 HB THR A 186 0.859 6.424 -2.605 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.677 8.290 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.194 5.450 -0.438 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.049 4.269 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.896 5.049 -0.103 1.00 0.00 H new ATOM 788 N GLU A 187 2.276 4.922 -4.518 1.00 0.00 N ATOM 789 CA GLU A 187 1.976 3.818 -5.414 1.00 0.00 C ATOM 790 C GLU A 187 3.218 2.958 -5.662 1.00 0.00 C ATOM 791 O GLU A 187 3.113 1.752 -5.898 1.00 0.00 O ATOM 792 CB GLU A 187 1.427 4.363 -6.730 1.00 0.00 C ATOM 793 CG GLU A 187 0.241 5.301 -6.549 1.00 0.00 C ATOM 794 CD GLU A 187 -0.390 5.710 -7.865 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.367 5.054 -8.286 1.00 0.00 O ATOM 796 OE2 GLU A 187 0.091 6.675 -8.493 1.00 0.00 O ATOM 0 H GLU A 187 2.064 5.842 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 187 1.223 3.183 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 187 2.222 4.892 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 187 1.127 3.528 -7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.510 4.814 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 187 0.567 6.193 -6.015 1.00 0.00 H new ATOM 804 N THR A 188 4.391 3.582 -5.608 1.00 0.00 N ATOM 805 CA THR A 188 5.647 2.864 -5.759 1.00 0.00 C ATOM 806 C THR A 188 6.254 2.504 -4.399 1.00 0.00 C ATOM 807 O THR A 188 6.543 1.338 -4.131 1.00 0.00 O ATOM 808 CB THR A 188 6.658 3.692 -6.574 1.00 0.00 C ATOM 809 OG1 THR A 188 6.726 5.026 -6.055 1.00 0.00 O ATOM 810 CG2 THR A 188 6.266 3.740 -8.039 1.00 0.00 C ATOM 0 H THR A 188 4.495 4.586 -5.460 1.00 0.00 H new ATOM 0 HA THR A 188 5.428 1.941 -6.295 1.00 0.00 H new ATOM 0 HB THR A 188 7.634 3.214 -6.491 1.00 0.00 H new ATOM 0 HG1 THR A 188 7.372 5.547 -6.576 1.00 0.00 H new ATOM 0 HG21 THR A 188 6.996 4.331 -8.592 1.00 0.00 H new ATOM 0 HG22 THR A 188 6.239 2.727 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 188 5.281 4.196 -8.137 1.00 0.00 H new ATOM 818 N LEU A 189 6.412 3.515 -3.541 1.00 0.00 N ATOM 819 CA LEU A 189 7.091 3.362 -2.249 1.00 0.00 C ATOM 820 C LEU A 189 6.495 2.246 -1.399 1.00 0.00 C ATOM 821 O LEU A 189 7.233 1.468 -0.796 1.00 0.00 O ATOM 822 CB LEU A 189 7.038 4.673 -1.462 1.00 0.00 C ATOM 823 CG LEU A 189 7.817 5.836 -2.072 1.00 0.00 C ATOM 824 CD1 LEU A 189 7.577 7.107 -1.273 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.303 5.518 -2.122 1.00 0.00 C ATOM 0 H LEU A 189 6.074 4.461 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 189 8.124 3.096 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 189 5.995 4.972 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.420 4.490 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 189 7.464 5.990 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.138 7.928 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 189 6.514 7.347 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 189 7.907 6.958 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.841 6.359 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.671 5.339 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.464 4.628 -2.730 1.00 0.00 H new ATOM 837 N LEU A 190 5.167 2.171 -1.357 1.00 0.00 N ATOM 838 CA LEU A 190 4.478 1.194 -0.519 1.00 0.00 C ATOM 839 C LEU A 190 4.965 -0.221 -0.812 1.00 0.00 C ATOM 840 O LEU A 190 5.287 -0.979 0.101 1.00 0.00 O ATOM 841 CB LEU A 190 2.966 1.282 -0.734 1.00 0.00 C ATOM 842 CG LEU A 190 2.129 0.309 0.098 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.366 0.534 1.583 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.651 0.459 -0.234 1.00 0.00 C ATOM 0 H LEU A 190 4.546 2.776 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 190 4.704 1.425 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.642 2.298 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.755 1.107 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 190 2.437 -0.707 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.762 -0.168 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.420 0.377 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.086 1.554 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.070 -0.241 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.331 1.478 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.492 0.248 -1.291 1.00 0.00 H new ATOM 856 N VAL A 191 5.022 -0.561 -2.090 1.00 0.00 N ATOM 857 CA VAL A 191 5.460 -1.884 -2.506 1.00 0.00 C ATOM 858 C VAL A 191 6.985 -1.986 -2.481 1.00 0.00 C ATOM 859 O VAL A 191 7.545 -3.040 -2.181 1.00 0.00 O ATOM 860 CB VAL A 191 4.941 -2.223 -3.923 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.310 -3.647 -4.315 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.435 -2.012 -4.001 1.00 0.00 C ATOM 0 H VAL A 191 4.770 0.061 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 191 5.044 -2.602 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 191 5.421 -1.549 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 191 4.933 -3.858 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.394 -3.758 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.868 -4.346 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.085 -2.255 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.939 -2.659 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.201 -0.971 -3.777 1.00 0.00 H new ATOM 872 N GLN A 192 7.646 -0.876 -2.782 1.00 0.00 N ATOM 873 CA GLN A 192 9.094 -0.840 -2.889 1.00 0.00 C ATOM 874 C GLN A 192 9.773 -1.139 -1.554 1.00 0.00 C ATOM 875 O GLN A 192 10.782 -1.846 -1.512 1.00 0.00 O ATOM 876 CB GLN A 192 9.538 0.531 -3.391 1.00 0.00 C ATOM 877 CG GLN A 192 10.973 0.555 -3.869 1.00 0.00 C ATOM 878 CD GLN A 192 11.444 1.935 -4.287 1.00 0.00 C ATOM 879 OE1 GLN A 192 10.953 2.965 -3.617 1.00 0.00 O flip ATOM 880 NE2 GLN A 192 12.259 2.074 -5.198 1.00 0.00 N flip ATOM 0 H GLN A 192 7.193 0.021 -2.958 1.00 0.00 H new ATOM 0 HA GLN A 192 9.393 -1.614 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 192 8.885 0.841 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.416 1.261 -2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.620 0.184 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.079 -0.128 -4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 192 12.616 1.256 -5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 192 12.578 3.007 -5.459 1.00 0.00 H new ATOM 889 N ASN A 193 9.221 -0.604 -0.471 1.00 0.00 N ATOM 890 CA ASN A 193 9.831 -0.762 0.849 1.00 0.00 C ATOM 891 C ASN A 193 9.384 -2.059 1.519 1.00 0.00 C ATOM 892 O ASN A 193 9.719 -2.321 2.675 1.00 0.00 O ATOM 893 CB ASN A 193 9.499 0.424 1.758 1.00 0.00 C ATOM 894 CG ASN A 193 9.952 1.761 1.202 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.898 1.842 0.416 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.286 2.826 1.621 1.00 0.00 N ATOM 0 H ASN A 193 8.358 -0.060 -0.477 1.00 0.00 H new ATOM 0 HA ASN A 193 10.910 -0.801 0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.422 0.455 1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.966 0.267 2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.551 3.755 1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.508 2.718 2.272 1.00 0.00 H new ATOM 903 N ALA A 194 8.621 -2.864 0.798 1.00 0.00 N ATOM 904 CA ALA A 194 8.206 -4.165 1.300 1.00 0.00 C ATOM 905 C ALA A 194 9.260 -5.219 0.981 1.00 0.00 C ATOM 906 O ALA A 194 9.927 -5.154 -0.053 1.00 0.00 O ATOM 907 CB ALA A 194 6.865 -4.557 0.699 1.00 0.00 C ATOM 0 H ALA A 194 8.276 -2.641 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 194 8.098 -4.102 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.566 -5.532 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 194 6.114 -3.815 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.953 -4.605 -0.386 1.00 0.00 H new ATOM 913 N ASN A 195 9.412 -6.186 1.880 1.00 0.00 N ATOM 914 CA ASN A 195 10.367 -7.278 1.688 1.00 0.00 C ATOM 915 C ASN A 195 9.986 -8.097 0.461 1.00 0.00 C ATOM 916 O ASN A 195 8.807 -8.172 0.134 1.00 0.00 O ATOM 917 CB ASN A 195 10.405 -8.195 2.915 1.00 0.00 C ATOM 918 CG ASN A 195 10.639 -7.446 4.210 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.780 -7.180 4.592 1.00 0.00 O ATOM 920 ND2 ASN A 195 9.560 -7.120 4.905 1.00 0.00 N ATOM 0 H ASN A 195 8.886 -6.238 2.752 1.00 0.00 H new ATOM 0 HA ASN A 195 11.355 -6.840 1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 195 9.464 -8.740 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 195 11.194 -8.936 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 195 9.655 -6.629 5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.634 -7.360 4.551 1.00 0.00 H new ATOM 927 N PRO A 196 10.958 -8.728 -0.221 1.00 0.00 N ATOM 928 CA PRO A 196 10.722 -9.455 -1.480 1.00 0.00 C ATOM 929 C PRO A 196 9.506 -10.373 -1.406 1.00 0.00 C ATOM 930 O PRO A 196 8.664 -10.392 -2.310 1.00 0.00 O ATOM 931 CB PRO A 196 12.006 -10.278 -1.679 1.00 0.00 C ATOM 932 CG PRO A 196 12.803 -10.106 -0.426 1.00 0.00 C ATOM 933 CD PRO A 196 12.367 -8.802 0.172 1.00 0.00 C ATOM 0 HA PRO A 196 10.512 -8.771 -2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.773 -11.329 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.564 -9.928 -2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.625 -10.930 0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.871 -10.097 -0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.487 -8.792 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.942 -7.963 -0.220 1.00 0.00 H new ATOM 941 N ASP A 197 9.413 -11.107 -0.306 1.00 0.00 N ATOM 942 CA ASP A 197 8.298 -12.022 -0.070 1.00 0.00 C ATOM 943 C ASP A 197 6.966 -11.273 -0.030 1.00 0.00 C ATOM 944 O ASP A 197 6.026 -11.622 -0.746 1.00 0.00 O ATOM 945 CB ASP A 197 8.509 -12.787 1.240 1.00 0.00 C ATOM 946 CG ASP A 197 7.286 -13.582 1.658 1.00 0.00 C ATOM 947 OD1 ASP A 197 6.889 -14.510 0.922 1.00 0.00 O ATOM 948 OD2 ASP A 197 6.726 -13.285 2.734 1.00 0.00 O ATOM 0 H ASP A 197 10.102 -11.088 0.446 1.00 0.00 H new ATOM 0 HA ASP A 197 8.264 -12.731 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 197 9.356 -13.464 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 197 8.766 -12.082 2.030 1.00 0.00 H new ATOM 954 N CYS A 198 6.904 -10.227 0.785 1.00 0.00 N ATOM 955 CA CYS A 198 5.690 -9.435 0.928 1.00 0.00 C ATOM 956 C CYS A 198 5.378 -8.706 -0.375 1.00 0.00 C ATOM 957 O CYS A 198 4.226 -8.614 -0.786 1.00 0.00 O ATOM 958 CB CYS A 198 5.865 -8.432 2.068 1.00 0.00 C ATOM 959 SG CYS A 198 6.503 -9.175 3.587 1.00 0.00 S ATOM 0 H CYS A 198 7.684 -9.907 1.359 1.00 0.00 H new ATOM 0 HA CYS A 198 4.856 -10.097 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 198 6.544 -7.642 1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 198 4.905 -7.961 2.278 1.00 0.00 H new ATOM 0 HG CYS A 198 5.522 -9.381 4.415 1.00 0.00 H new ATOM 965 N LYS A 199 6.429 -8.216 -1.023 1.00 0.00 N ATOM 966 CA LYS A 199 6.316 -7.529 -2.302 1.00 0.00 C ATOM 967 C LYS A 199 5.667 -8.438 -3.341 1.00 0.00 C ATOM 968 O LYS A 199 4.824 -8.003 -4.123 1.00 0.00 O ATOM 969 CB LYS A 199 7.706 -7.090 -2.769 1.00 0.00 C ATOM 970 CG LYS A 199 7.714 -6.292 -4.062 1.00 0.00 C ATOM 971 CD LYS A 199 9.123 -5.845 -4.420 1.00 0.00 C ATOM 972 CE LYS A 199 9.721 -4.975 -3.327 1.00 0.00 C ATOM 973 NZ LYS A 199 11.119 -4.582 -3.632 1.00 0.00 N ATOM 0 H LYS A 199 7.385 -8.285 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 199 5.685 -6.649 -2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 199 8.166 -6.490 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.328 -7.976 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.305 -6.899 -4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 199 7.068 -5.420 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.755 -6.719 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 199 9.104 -5.291 -5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 199 9.112 -4.080 -3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.694 -5.513 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.489 -3.990 -2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.707 -5.435 -3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.142 -4.046 -4.523 1.00 0.00 H new ATOM 987 N THR A 200 6.063 -9.707 -3.330 1.00 0.00 N ATOM 988 CA THR A 200 5.476 -10.706 -4.212 1.00 0.00 C ATOM 989 C THR A 200 3.978 -10.841 -3.945 1.00 0.00 C ATOM 990 O THR A 200 3.171 -10.892 -4.872 1.00 0.00 O ATOM 991 CB THR A 200 6.166 -12.077 -4.028 1.00 0.00 C ATOM 992 OG1 THR A 200 7.572 -11.955 -4.296 1.00 0.00 O ATOM 993 CG2 THR A 200 5.559 -13.128 -4.951 1.00 0.00 C ATOM 0 H THR A 200 6.793 -10.068 -2.715 1.00 0.00 H new ATOM 0 HA THR A 200 5.626 -10.376 -5.240 1.00 0.00 H new ATOM 0 HB THR A 200 6.014 -12.397 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.017 -11.540 -3.528 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.065 -14.082 -4.799 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.498 -13.240 -4.727 1.00 0.00 H new ATOM 0 HG23 THR A 200 5.680 -12.815 -5.988 1.00 0.00 H new ATOM 1001 N ILE A 201 3.613 -10.868 -2.670 1.00 0.00 N ATOM 1002 CA ILE A 201 2.215 -10.974 -2.272 1.00 0.00 C ATOM 1003 C ILE A 201 1.439 -9.725 -2.689 1.00 0.00 C ATOM 1004 O ILE A 201 0.305 -9.812 -3.157 1.00 0.00 O ATOM 1005 CB ILE A 201 2.089 -11.174 -0.745 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.839 -12.438 -0.315 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.627 -11.249 -0.327 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.845 -12.669 1.184 1.00 0.00 C ATOM 0 H ILE A 201 4.269 -10.818 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 201 1.792 -11.843 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 201 2.537 -10.315 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.387 -13.301 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.869 -12.375 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.564 -11.390 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 201 0.122 -10.323 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 201 0.147 -12.088 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.395 -13.583 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 201 3.324 -11.825 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.820 -12.765 1.541 1.00 0.00 H new ATOM 1020 N LEU A 202 2.066 -8.569 -2.525 1.00 0.00 N ATOM 1021 CA LEU A 202 1.447 -7.297 -2.882 1.00 0.00 C ATOM 1022 C LEU A 202 1.207 -7.212 -4.386 1.00 0.00 C ATOM 1023 O LEU A 202 0.150 -6.768 -4.833 1.00 0.00 O ATOM 1024 CB LEU A 202 2.330 -6.135 -2.425 1.00 0.00 C ATOM 1025 CG LEU A 202 2.598 -6.085 -0.919 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.542 -4.943 -0.579 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.292 -5.951 -0.152 1.00 0.00 C ATOM 0 H LEU A 202 3.009 -8.484 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 202 0.483 -7.233 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.285 -6.195 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.860 -5.199 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 202 3.076 -7.019 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.719 -4.925 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.488 -5.086 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 202 3.096 -3.998 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.500 -5.917 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.786 -5.034 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.653 -6.806 -0.370 1.00 0.00 H new ATOM 1039 N LYS A 203 2.188 -7.651 -5.164 1.00 0.00 N ATOM 1040 CA LYS A 203 2.068 -7.648 -6.615 1.00 0.00 C ATOM 1041 C LYS A 203 1.096 -8.726 -7.080 1.00 0.00 C ATOM 1042 O LYS A 203 0.480 -8.598 -8.136 1.00 0.00 O ATOM 1043 CB LYS A 203 3.436 -7.828 -7.281 1.00 0.00 C ATOM 1044 CG LYS A 203 4.334 -6.612 -7.145 1.00 0.00 C ATOM 1045 CD LYS A 203 5.627 -6.785 -7.920 1.00 0.00 C ATOM 1046 CE LYS A 203 6.446 -5.505 -7.926 1.00 0.00 C ATOM 1047 NZ LYS A 203 5.721 -4.375 -8.574 1.00 0.00 N ATOM 0 H LYS A 203 3.075 -8.013 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 203 1.672 -6.678 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.936 -8.691 -6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.291 -8.048 -8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 203 3.808 -5.728 -7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 203 4.560 -6.441 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.213 -7.591 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.402 -7.079 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 203 6.698 -5.232 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.386 -5.680 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 6.399 -3.629 -8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 5.241 -4.717 -9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 5.017 -3.989 -7.913 1.00 0.00 H new ATOM 1061 N ALA A 204 0.963 -9.785 -6.285 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.001 -10.842 -6.570 1.00 0.00 C ATOM 1063 C ALA A 204 -1.425 -10.290 -6.565 1.00 0.00 C ATOM 1064 O ALA A 204 -2.288 -10.774 -7.297 1.00 0.00 O ATOM 1065 CB ALA A 204 0.133 -11.974 -5.564 1.00 0.00 C ATOM 0 H ALA A 204 1.512 -9.933 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 204 0.211 -11.236 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.594 -12.753 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.139 -12.390 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 204 -0.049 -11.592 -4.560 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.664 -9.275 -5.734 1.00 0.00 N ATOM 1072 CA LEU A 205 -2.952 -8.589 -5.715 1.00 0.00 C ATOM 1073 C LEU A 205 -3.180 -7.865 -7.033 1.00 0.00 C ATOM 1074 O LEU A 205 -4.193 -8.068 -7.708 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.029 -7.575 -4.563 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.665 -8.070 -3.262 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -5.030 -8.679 -3.529 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -2.763 -9.059 -2.550 1.00 0.00 C ATOM 0 H LEU A 205 -0.983 -8.912 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.725 -9.343 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.018 -7.233 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.590 -6.707 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 205 -3.796 -7.209 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -5.464 -9.024 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -5.682 -7.929 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -4.925 -9.522 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -3.243 -9.392 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -2.583 -9.918 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -1.814 -8.579 -2.311 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.218 -7.033 -7.398 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.321 -6.269 -8.617 1.00 0.00 C ATOM 1092 C GLY A 206 -2.931 -4.901 -8.380 1.00 0.00 C ATOM 1093 O GLY A 206 -3.317 -4.578 -7.256 1.00 0.00 O ATOM 0 H GLY A 206 -1.363 -6.874 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.331 -6.153 -9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -2.928 -6.817 -9.338 1.00 0.00 H new ATOM 1097 N PRO A 207 -3.031 -4.068 -9.421 1.00 0.00 N ATOM 1098 CA PRO A 207 -3.576 -2.718 -9.301 1.00 0.00 C ATOM 1099 C PRO A 207 -5.104 -2.697 -9.249 1.00 0.00 C ATOM 1100 O PRO A 207 -5.710 -1.640 -9.077 1.00 0.00 O ATOM 1101 CB PRO A 207 -3.072 -2.027 -10.565 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.926 -3.119 -11.566 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.602 -4.374 -10.796 1.00 0.00 C ATOM 0 HA PRO A 207 -3.263 -2.235 -8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.776 -1.268 -10.908 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -2.122 -1.524 -10.388 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.845 -3.243 -12.139 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -2.134 -2.887 -12.279 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -3.133 -5.237 -11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.538 -4.606 -10.840 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.725 -3.861 -9.403 1.00 0.00 N ATOM 1112 CA ALA A 208 -7.178 -3.957 -9.371 1.00 0.00 C ATOM 1113 C ALA A 208 -7.669 -4.299 -7.969 1.00 0.00 C ATOM 1114 O ALA A 208 -8.855 -4.571 -7.762 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.667 -4.989 -10.377 1.00 0.00 C ATOM 0 H ALA A 208 -5.245 -4.749 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 208 -7.589 -2.986 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.755 -5.047 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -7.354 -4.697 -11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -7.243 -5.963 -10.134 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.755 -4.277 -7.010 1.00 0.00 N ATOM 1122 CA ALA A 209 -7.085 -4.584 -5.624 1.00 0.00 C ATOM 1123 C ALA A 209 -7.014 -3.330 -4.762 1.00 0.00 C ATOM 1124 O ALA A 209 -6.456 -2.313 -5.174 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.142 -5.647 -5.084 1.00 0.00 C ATOM 0 H ALA A 209 -5.773 -4.049 -7.167 1.00 0.00 H new ATOM 0 HA ALA A 209 -8.105 -4.966 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.398 -5.868 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.235 -6.553 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.116 -5.283 -5.134 1.00 0.00 H new ATOM 1131 N THR A 210 -7.576 -3.404 -3.566 1.00 0.00 N ATOM 1132 CA THR A 210 -7.555 -2.278 -2.650 1.00 0.00 C ATOM 1133 C THR A 210 -6.637 -2.586 -1.471 1.00 0.00 C ATOM 1134 O THR A 210 -6.189 -3.726 -1.315 1.00 0.00 O ATOM 1135 CB THR A 210 -8.979 -1.927 -2.149 1.00 0.00 C ATOM 1136 OG1 THR A 210 -8.953 -0.751 -1.327 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.580 -3.082 -1.362 1.00 0.00 C ATOM 0 H THR A 210 -8.052 -4.232 -3.208 1.00 0.00 H new ATOM 0 HA THR A 210 -7.172 -1.410 -3.187 1.00 0.00 H new ATOM 0 HB THR A 210 -9.598 -1.737 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 210 -9.861 -0.545 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.579 -2.810 -1.022 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.642 -3.964 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 210 -8.950 -3.301 -0.500 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.362 -1.578 -0.651 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.446 -1.717 0.475 1.00 0.00 C ATOM 1147 C LEU A 211 -5.799 -2.929 1.340 1.00 0.00 C ATOM 1148 O LEU A 211 -4.932 -3.738 1.674 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.485 -0.448 1.324 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.502 -0.408 2.489 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -3.068 -0.398 1.984 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.778 0.804 3.357 1.00 0.00 C ATOM 0 H LEU A 211 -6.765 -0.646 -0.747 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.442 -1.869 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.290 0.407 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.494 -0.326 1.718 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.636 -1.306 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.384 -0.369 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.882 -1.298 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.908 0.481 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.072 0.826 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.667 1.711 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.794 0.748 3.747 1.00 0.00 H new ATOM 1164 N GLU A 212 -7.080 -3.064 1.661 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.550 -4.103 2.564 1.00 0.00 C ATOM 1166 C GLU A 212 -7.204 -5.507 2.059 1.00 0.00 C ATOM 1167 O GLU A 212 -6.956 -6.412 2.859 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.059 -3.968 2.760 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.625 -4.889 3.823 1.00 0.00 C ATOM 1170 CD GLU A 212 -11.108 -4.678 4.043 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.473 -3.771 4.817 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -11.915 -5.414 3.439 1.00 0.00 O ATOM 0 H GLU A 212 -7.818 -2.458 1.303 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.041 -3.971 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.290 -2.937 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.558 -4.172 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.448 -5.925 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.095 -4.725 4.761 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.154 -5.685 0.739 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.918 -7.002 0.167 1.00 0.00 C ATOM 1182 C GLU A 213 -5.489 -7.448 0.442 1.00 0.00 C ATOM 1183 O GLU A 213 -5.254 -8.534 0.964 1.00 0.00 O ATOM 1184 CB GLU A 213 -7.167 -6.990 -1.340 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.590 -6.635 -1.727 1.00 0.00 C ATOM 1186 CD GLU A 213 -9.622 -7.518 -1.056 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -10.394 -6.996 -0.223 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -9.676 -8.727 -1.365 1.00 0.00 O ATOM 0 H GLU A 213 -7.273 -4.938 0.054 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.611 -7.702 0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.486 -6.277 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.925 -7.972 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.784 -5.595 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.698 -6.716 -2.809 1.00 0.00 H new ATOM 1196 N MET A 214 -4.545 -6.579 0.116 1.00 0.00 N ATOM 1197 CA MET A 214 -3.127 -6.873 0.303 1.00 0.00 C ATOM 1198 C MET A 214 -2.756 -6.938 1.780 1.00 0.00 C ATOM 1199 O MET A 214 -1.889 -7.720 2.171 1.00 0.00 O ATOM 1200 CB MET A 214 -2.260 -5.862 -0.450 1.00 0.00 C ATOM 1201 CG MET A 214 -2.660 -4.412 -0.239 1.00 0.00 C ATOM 1202 SD MET A 214 -2.369 -3.412 -1.708 1.00 0.00 S ATOM 1203 CE MET A 214 -3.284 -4.378 -2.909 1.00 0.00 C ATOM 0 H MET A 214 -4.734 -5.659 -0.282 1.00 0.00 H new ATOM 0 HA MET A 214 -2.933 -7.860 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 214 -1.223 -5.989 -0.140 1.00 0.00 H new ATOM 0 HB3 MET A 214 -2.304 -6.087 -1.516 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.715 -4.362 0.030 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.098 -3.999 0.598 1.00 0.00 H new ATOM 0 HE1 MET A 214 -3.745 -3.711 -3.637 1.00 0.00 H new ATOM 0 HE2 MET A 214 -2.605 -5.060 -3.421 1.00 0.00 H new ATOM 0 HE3 MET A 214 -4.059 -4.951 -2.400 1.00 0.00 H new ATOM 1213 N MET A 215 -3.417 -6.130 2.604 1.00 0.00 N ATOM 1214 CA MET A 215 -3.196 -6.184 4.044 1.00 0.00 C ATOM 1215 C MET A 215 -3.581 -7.557 4.578 1.00 0.00 C ATOM 1216 O MET A 215 -2.816 -8.185 5.309 1.00 0.00 O ATOM 1217 CB MET A 215 -3.993 -5.098 4.767 1.00 0.00 C ATOM 1218 CG MET A 215 -3.596 -3.684 4.379 1.00 0.00 C ATOM 1219 SD MET A 215 -4.542 -2.432 5.265 1.00 0.00 S ATOM 1220 CE MET A 215 -3.923 -2.655 6.930 1.00 0.00 C ATOM 0 H MET A 215 -4.103 -5.437 2.303 1.00 0.00 H new ATOM 0 HA MET A 215 -2.137 -6.007 4.232 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.053 -5.238 4.557 1.00 0.00 H new ATOM 0 HB3 MET A 215 -3.862 -5.220 5.842 1.00 0.00 H new ATOM 0 HG2 MET A 215 -2.534 -3.541 4.579 1.00 0.00 H new ATOM 0 HG3 MET A 215 -3.739 -3.551 3.307 1.00 0.00 H new ATOM 0 HE1 MET A 215 -4.759 -2.816 7.611 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.260 -3.520 6.959 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.372 -1.765 7.236 1.00 0.00 H new ATOM 1230 N THR A 216 -4.759 -8.026 4.178 1.00 0.00 N ATOM 1231 CA THR A 216 -5.249 -9.337 4.582 1.00 0.00 C ATOM 1232 C THR A 216 -4.444 -10.449 3.905 1.00 0.00 C ATOM 1233 O THR A 216 -4.280 -11.540 4.451 1.00 0.00 O ATOM 1234 CB THR A 216 -6.743 -9.489 4.230 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.473 -8.349 4.703 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.324 -10.750 4.845 1.00 0.00 C ATOM 0 H THR A 216 -5.396 -7.512 3.569 1.00 0.00 H new ATOM 0 HA THR A 216 -5.128 -9.422 5.662 1.00 0.00 H new ATOM 0 HB THR A 216 -6.830 -9.560 3.146 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.417 -7.627 4.042 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.378 -10.831 4.580 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.787 -11.620 4.467 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.225 -10.705 5.930 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.929 -10.156 2.718 1.00 0.00 N ATOM 1245 CA ALA A 217 -3.110 -11.106 1.974 1.00 0.00 C ATOM 1246 C ALA A 217 -1.805 -11.404 2.707 1.00 0.00 C ATOM 1247 O ALA A 217 -1.239 -12.490 2.578 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.825 -10.573 0.576 1.00 0.00 C ATOM 0 H ALA A 217 -4.065 -9.262 2.247 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.667 -12.039 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -2.213 -11.291 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.765 -10.421 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.293 -9.625 0.650 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.337 -10.436 3.487 1.00 0.00 N ATOM 1255 CA CYS A 218 -0.109 -10.595 4.251 1.00 0.00 C ATOM 1256 C CYS A 218 -0.413 -11.155 5.644 1.00 0.00 C ATOM 1257 O CYS A 218 0.486 -11.320 6.469 1.00 0.00 O ATOM 1258 CB CYS A 218 0.625 -9.253 4.358 1.00 0.00 C ATOM 1259 SG CYS A 218 2.244 -9.353 5.159 1.00 0.00 S ATOM 0 H CYS A 218 -1.792 -9.531 3.606 1.00 0.00 H new ATOM 0 HA CYS A 218 0.536 -11.303 3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.753 -8.841 3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 218 0.000 -8.554 4.913 1.00 0.00 H new ATOM 0 HG CYS A 218 2.210 -10.255 6.094 1.00 0.00 H new ATOM 1472 N THR B 2 -1.797 4.067 -3.154 1.00 0.00 N ATOM 1473 CA THR B 2 -1.644 5.527 -3.097 1.00 0.00 C ATOM 1474 C THR B 2 -2.042 6.044 -1.700 1.00 0.00 C ATOM 1475 O THR B 2 -2.541 5.285 -0.860 1.00 0.00 O ATOM 1476 CB THR B 2 -2.404 6.310 -4.224 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.445 7.129 -3.672 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.011 5.397 -5.282 1.00 0.00 C ATOM 0 HA THR B 2 -0.588 5.726 -3.283 1.00 0.00 H new ATOM 0 HB THR B 2 -1.650 6.932 -4.706 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.902 7.608 -4.395 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.522 6.000 -6.033 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.221 4.817 -5.759 1.00 0.00 H new ATOM 0 HG23 THR B 2 -3.725 4.720 -4.812 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.778 7.303 -1.419 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.097 7.860 -0.114 1.00 0.00 C ATOM 1488 C PHE B 3 -3.612 8.004 0.056 1.00 0.00 C ATOM 1489 O PHE B 3 -4.137 7.814 1.155 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.385 9.204 0.065 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.503 9.793 1.439 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.148 9.057 2.557 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.957 11.090 1.611 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.245 9.602 3.821 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -2.055 11.641 2.874 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.699 10.897 3.978 1.00 0.00 C ATOM 0 H PHE B 3 -1.346 7.959 -2.070 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.744 7.179 0.660 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.329 9.075 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.789 9.914 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -0.791 8.045 2.438 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -2.237 11.677 0.749 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -0.967 9.017 4.685 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.410 12.654 2.996 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.775 11.327 4.966 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.219 6.130 -0.984 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.895 4.893 -0.560 1.00 0.00 C ATOM 1528 C ASP B 5 -6.570 4.588 0.893 1.00 0.00 C ATOM 1529 O ASP B 5 -7.400 4.069 1.631 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.490 3.714 -1.457 1.00 0.00 C ATOM 1531 CG ASP B 5 -7.235 2.425 -1.155 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -8.484 2.432 -1.162 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -6.563 1.388 -0.965 1.00 0.00 O ATOM 0 HA ASP B 5 -7.971 5.040 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -6.663 3.986 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -5.420 3.538 -1.347 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.349 4.929 1.290 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.921 4.793 2.675 1.00 0.00 C ATOM 1541 C LEU B 6 -5.842 5.581 3.592 1.00 0.00 C ATOM 1542 O LEU B 6 -6.337 5.070 4.600 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.480 5.298 2.842 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.464 4.246 3.273 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -2.957 3.540 4.519 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.212 3.250 2.151 1.00 0.00 C ATOM 0 H LEU B 6 -4.635 5.304 0.666 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.964 3.737 2.943 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.152 5.729 1.896 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.478 6.103 3.577 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.519 4.739 3.499 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.228 2.789 4.824 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.087 4.266 5.321 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -3.911 3.056 4.310 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.484 2.508 2.480 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.146 2.752 1.890 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.825 3.776 1.278 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.065 6.832 3.227 1.00 0.00 N ATOM 1559 CA LEU B 7 -6.905 7.726 3.995 1.00 0.00 C ATOM 1560 C LEU B 7 -8.338 7.231 4.042 1.00 0.00 C ATOM 1561 O LEU B 7 -8.911 7.072 5.115 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.873 9.114 3.363 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.625 9.958 3.657 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.893 10.943 4.785 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -4.444 9.084 4.024 1.00 0.00 C ATOM 0 H LEU B 7 -5.667 7.254 2.388 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.522 7.764 5.015 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.965 9.002 2.283 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.749 9.666 3.702 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.385 10.508 2.747 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.995 11.530 4.976 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.708 11.608 4.501 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.168 10.397 5.687 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.576 9.711 4.226 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -4.685 8.501 4.913 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.220 8.410 3.197 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.546 4.456 3.527 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.663 3.187 4.223 1.00 0.00 C ATOM 1599 C TYR B 9 -9.847 3.414 5.721 1.00 0.00 C ATOM 1600 O TYR B 9 -10.829 2.961 6.309 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.427 2.319 3.972 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.449 1.008 4.725 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -9.302 -0.018 4.348 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.630 0.808 5.829 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -9.338 -1.209 5.046 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.662 -0.380 6.534 1.00 0.00 C ATOM 1607 CZ TYR B 9 -8.517 -1.385 6.137 1.00 0.00 C ATOM 1608 OH TYR B 9 -8.559 -2.565 6.840 1.00 0.00 O ATOM 0 HA TYR B 9 -10.539 2.667 3.837 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.347 2.115 2.904 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.536 2.878 4.257 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.949 0.117 3.494 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.958 1.593 6.141 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -10.007 -1.999 4.737 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -7.020 -0.520 7.391 1.00 0.00 H new ATOM 0 HH TYR B 9 -7.917 -2.528 7.580 1.00 0.00 H new ATOM 1618 N TYR B 10 -8.901 4.124 6.325 1.00 0.00 N ATOM 1619 CA TYR B 10 -8.927 4.378 7.760 1.00 0.00 C ATOM 1620 C TYR B 10 -10.007 5.385 8.152 1.00 0.00 C ATOM 1621 O TYR B 10 -10.728 5.185 9.130 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.555 4.857 8.240 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.527 3.750 8.308 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -6.559 2.824 9.343 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.529 3.626 7.347 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -5.628 1.808 9.421 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.592 2.611 7.420 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.648 1.705 8.459 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.721 0.691 8.538 1.00 0.00 O ATOM 0 H TYR B 10 -8.103 4.535 5.840 1.00 0.00 H new ATOM 0 HA TYR B 10 -9.172 3.435 8.249 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.195 5.637 7.570 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.660 5.308 9.227 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -7.326 2.900 10.100 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.485 4.333 6.532 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.668 1.097 10.233 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.821 2.528 6.668 1.00 0.00 H new ATOM 0 HH TYR B 10 -4.125 -0.088 8.975 1.00 0.00 H new