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 155 GLN : amide:sc= 1.06 X(o=3.4,f=3.8) USER MOD Set 1.2: A 198 CYS SG : rot 42:sc= 1.37 USER MOD Set 1.3: A 218 CYS SG : rot 100:sc= 1.02 USER MOD Set 2.1: A 183 ASN :FLIP amide:sc= -0.675 F(o=-6.7!,f=-3.1) USER MOD Set 2.2: B 2 THR OG1 : rot -160:sc= -2.39! USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot -76:sc= 1.24 USER MOD Single : A 169 TYR OH : rot 180:sc= 0.37 USER MOD Single : A 170 LYS NZ :NH3+ -121:sc= 0.802 (180deg=0.193) USER MOD Single : A 171 THR OG1 : rot -150:sc= 0 USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN :FLIP amide:sc=-0.000371 F(o=-1.1,f=-0.00037) USER MOD Single : A 182 LYS NZ :NH3+ 177:sc= 0.989 (180deg=0.984) USER MOD Single : A 186 THR OG1 : rot 89:sc= 1.18 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN :FLIP amide:sc= -0.1 F(o=-1.7!,f=-0.1) USER MOD Single : A 193 ASN : amide:sc= -0.363 K(o=-0.36,f=-0.89) USER MOD Single : A 195 ASN : amide:sc= 0.939 K(o=0.94,f=-0.48) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 51:sc= 1.3 USER MOD Single : A 214 MET CE :methyl -132:sc= -1.07 (180deg=-6.54!) USER MOD Single : A 215 MET CE :methyl -172:sc= -1.2 (180deg=-1.45) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 180:sc= -0.312 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.381 9.631 4.691 1.00 0.00 N ATOM 171 CA ILE A 150 8.634 8.387 4.503 1.00 0.00 C ATOM 172 C ILE A 150 9.511 7.301 3.864 1.00 0.00 C ATOM 173 O ILE A 150 9.223 6.109 3.964 1.00 0.00 O ATOM 174 CB ILE A 150 7.368 8.626 3.637 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.516 7.358 3.539 1.00 0.00 C ATOM 176 CG2 ILE A 150 7.746 9.118 2.247 1.00 0.00 C ATOM 177 CD1 ILE A 150 5.923 6.917 4.862 1.00 0.00 C ATOM 0 HA ILE A 150 8.324 8.041 5.489 1.00 0.00 H new ATOM 0 HB ILE A 150 6.774 9.397 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.708 7.528 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 150 7.128 6.550 3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 150 6.842 9.278 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.296 10.056 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.371 8.373 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.333 6.013 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.726 6.714 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.283 7.707 5.255 1.00 0.00 H new ATOM 189 N LEU A 151 10.605 7.721 3.238 1.00 0.00 N ATOM 190 CA LEU A 151 11.533 6.792 2.596 1.00 0.00 C ATOM 191 C LEU A 151 12.229 5.908 3.631 1.00 0.00 C ATOM 192 O LEU A 151 12.759 4.847 3.301 1.00 0.00 O ATOM 193 CB LEU A 151 12.591 7.549 1.783 1.00 0.00 C ATOM 194 CG LEU A 151 12.096 8.264 0.517 1.00 0.00 C ATOM 195 CD1 LEU A 151 11.292 9.510 0.862 1.00 0.00 C ATOM 196 CD2 LEU A 151 13.272 8.620 -0.380 1.00 0.00 C ATOM 0 H LEU A 151 10.873 8.702 3.160 1.00 0.00 H new ATOM 0 HA LEU A 151 10.949 6.162 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.057 8.289 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.370 6.843 1.494 1.00 0.00 H new ATOM 0 HG LEU A 151 11.437 7.582 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 151 10.957 9.992 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 151 10.426 9.230 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 151 11.917 10.201 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 151 12.908 9.126 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 151 13.953 9.279 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.799 7.710 -0.668 1.00 0.00 H new ATOM 208 N ASP A 152 12.230 6.354 4.882 1.00 0.00 N ATOM 209 CA ASP A 152 12.863 5.608 5.963 1.00 0.00 C ATOM 210 C ASP A 152 11.896 4.564 6.521 1.00 0.00 C ATOM 211 O ASP A 152 12.285 3.663 7.268 1.00 0.00 O ATOM 212 CB ASP A 152 13.316 6.568 7.068 1.00 0.00 C ATOM 213 CG ASP A 152 14.054 5.873 8.196 1.00 0.00 C ATOM 214 OD1 ASP A 152 13.493 5.770 9.305 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.206 5.431 7.985 1.00 0.00 O ATOM 0 H ASP A 152 11.798 7.231 5.173 1.00 0.00 H new ATOM 0 HA ASP A 152 13.739 5.091 5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 152 13.963 7.331 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 152 12.445 7.082 7.474 1.00 0.00 H new ATOM 221 N ILE A 153 10.635 4.675 6.126 1.00 0.00 N ATOM 222 CA ILE A 153 9.607 3.755 6.593 1.00 0.00 C ATOM 223 C ILE A 153 9.532 2.541 5.674 1.00 0.00 C ATOM 224 O ILE A 153 9.071 2.634 4.535 1.00 0.00 O ATOM 225 CB ILE A 153 8.223 4.440 6.673 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.283 5.667 7.591 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.165 3.463 7.164 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.671 5.351 9.018 1.00 0.00 C ATOM 0 H ILE A 153 10.299 5.393 5.484 1.00 0.00 H new ATOM 0 HA ILE A 153 9.882 3.434 7.598 1.00 0.00 H new ATOM 0 HB ILE A 153 7.948 4.769 5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 153 8.998 6.380 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.309 6.156 7.590 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.199 3.966 7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.101 2.620 6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.436 3.101 8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.691 6.271 9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.944 4.663 9.449 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.659 4.891 9.033 1.00 0.00 H new ATOM 240 N ARG A 154 9.999 1.405 6.173 1.00 0.00 N ATOM 241 CA ARG A 154 10.044 0.182 5.387 1.00 0.00 C ATOM 242 C ARG A 154 9.674 -1.021 6.249 1.00 0.00 C ATOM 243 O ARG A 154 9.857 -1.002 7.468 1.00 0.00 O ATOM 244 CB ARG A 154 11.436 0.011 4.770 1.00 0.00 C ATOM 245 CG ARG A 154 12.568 0.049 5.780 1.00 0.00 C ATOM 246 CD ARG A 154 13.914 0.220 5.096 1.00 0.00 C ATOM 247 NE ARG A 154 14.021 1.506 4.402 1.00 0.00 N ATOM 248 CZ ARG A 154 15.154 2.201 4.292 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.283 1.719 4.799 1.00 0.00 N ATOM 250 NH2 ARG A 154 15.159 3.374 3.662 1.00 0.00 N ATOM 0 H ARG A 154 10.354 1.306 7.124 1.00 0.00 H new ATOM 0 HA ARG A 154 9.315 0.250 4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 154 11.471 -0.938 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 154 11.594 0.798 4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 154 12.407 0.869 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.569 -0.872 6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.709 0.142 5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.063 -0.590 4.382 1.00 0.00 H new ATOM 0 HE ARG A 154 13.178 1.893 3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 154 16.284 0.816 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 154 17.149 2.252 4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 154 14.296 3.742 3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 154 16.026 3.904 3.579 1.00 0.00 H new ATOM 264 N GLN A 155 9.146 -2.058 5.609 1.00 0.00 N ATOM 265 CA GLN A 155 8.630 -3.228 6.312 1.00 0.00 C ATOM 266 C GLN A 155 9.758 -4.185 6.679 1.00 0.00 C ATOM 267 O GLN A 155 10.558 -4.567 5.826 1.00 0.00 O ATOM 268 CB GLN A 155 7.609 -3.949 5.426 1.00 0.00 C ATOM 269 CG GLN A 155 6.798 -5.014 6.151 1.00 0.00 C ATOM 270 CD GLN A 155 5.894 -5.795 5.217 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.461 -5.293 4.179 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.588 -7.027 5.586 1.00 0.00 N ATOM 0 H GLN A 155 9.063 -2.112 4.594 1.00 0.00 H new ATOM 0 HA GLN A 155 8.150 -2.895 7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 155 6.926 -3.212 5.004 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.133 -4.413 4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.477 -5.703 6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.193 -4.541 6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.966 -7.408 6.453 1.00 0.00 H new ATOM 0 HE22 GLN A 155 4.974 -7.596 5.004 1.00 0.00 H new ATOM 281 N GLY A 156 9.812 -4.565 7.949 1.00 0.00 N ATOM 282 CA GLY A 156 10.817 -5.504 8.403 1.00 0.00 C ATOM 283 C GLY A 156 10.455 -6.930 8.041 1.00 0.00 C ATOM 284 O GLY A 156 9.301 -7.203 7.708 1.00 0.00 O ATOM 0 H GLY A 156 9.175 -4.238 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.780 -5.249 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.931 -5.421 9.484 1.00 0.00 H new ATOM 288 N PRO A 157 11.422 -7.862 8.108 1.00 0.00 N ATOM 289 CA PRO A 157 11.223 -9.261 7.701 1.00 0.00 C ATOM 290 C PRO A 157 10.042 -9.934 8.403 1.00 0.00 C ATOM 291 O PRO A 157 9.223 -10.593 7.760 1.00 0.00 O ATOM 292 CB PRO A 157 12.541 -9.952 8.089 1.00 0.00 C ATOM 293 CG PRO A 157 13.255 -8.993 8.984 1.00 0.00 C ATOM 294 CD PRO A 157 12.795 -7.624 8.579 1.00 0.00 C ATOM 0 HA PRO A 157 10.986 -9.328 6.639 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.352 -10.896 8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 157 13.137 -10.181 7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 157 13.021 -9.189 10.030 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.335 -9.089 8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.819 -6.926 9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.424 -7.203 7.794 1.00 0.00 H new ATOM 302 N LYS A 158 9.946 -9.753 9.714 1.00 0.00 N ATOM 303 CA LYS A 158 8.894 -10.396 10.491 1.00 0.00 C ATOM 304 C LYS A 158 7.774 -9.411 10.804 1.00 0.00 C ATOM 305 O LYS A 158 6.855 -9.717 11.569 1.00 0.00 O ATOM 306 CB LYS A 158 9.460 -10.996 11.783 1.00 0.00 C ATOM 307 CG LYS A 158 10.233 -10.001 12.626 1.00 0.00 C ATOM 308 CD LYS A 158 10.729 -10.622 13.921 1.00 0.00 C ATOM 309 CE LYS A 158 9.576 -10.981 14.845 1.00 0.00 C ATOM 310 NZ LYS A 158 10.051 -11.599 16.109 1.00 0.00 N ATOM 0 H LYS A 158 10.580 -9.169 10.259 1.00 0.00 H new ATOM 0 HA LYS A 158 8.479 -11.206 9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 158 8.640 -11.402 12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 158 10.114 -11.831 11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 158 11.082 -9.624 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 158 9.597 -9.146 12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 158 11.310 -11.517 13.697 1.00 0.00 H new ATOM 0 HD3 LYS A 158 11.398 -9.926 14.426 1.00 0.00 H new ATOM 0 HE2 LYS A 158 9.001 -10.084 15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 158 8.903 -11.670 14.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 9.235 -11.829 16.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 10.578 -12.469 15.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 10.673 -10.932 16.609 1.00 0.00 H new ATOM 324 N GLU A 159 7.853 -8.235 10.201 1.00 0.00 N ATOM 325 CA GLU A 159 6.845 -7.204 10.381 1.00 0.00 C ATOM 326 C GLU A 159 5.640 -7.481 9.489 1.00 0.00 C ATOM 327 O GLU A 159 5.772 -7.543 8.267 1.00 0.00 O ATOM 328 CB GLU A 159 7.436 -5.836 10.033 1.00 0.00 C ATOM 329 CG GLU A 159 6.475 -4.678 10.239 1.00 0.00 C ATOM 330 CD GLU A 159 6.303 -4.325 11.699 1.00 0.00 C ATOM 331 OE1 GLU A 159 6.944 -3.359 12.151 1.00 0.00 O ATOM 332 OE2 GLU A 159 5.537 -5.011 12.405 1.00 0.00 O ATOM 0 H GLU A 159 8.614 -7.970 9.576 1.00 0.00 H new ATOM 0 HA GLU A 159 6.523 -7.207 11.422 1.00 0.00 H new ATOM 0 HB2 GLU A 159 8.325 -5.670 10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.760 -5.845 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 159 6.840 -3.805 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 159 5.505 -4.934 9.813 1.00 0.00 H new ATOM 340 N PRO A 160 4.453 -7.674 10.082 1.00 0.00 N ATOM 341 CA PRO A 160 3.212 -7.824 9.322 1.00 0.00 C ATOM 342 C PRO A 160 2.866 -6.549 8.561 1.00 0.00 C ATOM 343 O PRO A 160 3.024 -5.437 9.072 1.00 0.00 O ATOM 344 CB PRO A 160 2.153 -8.108 10.392 1.00 0.00 C ATOM 345 CG PRO A 160 2.741 -7.611 11.667 1.00 0.00 C ATOM 346 CD PRO A 160 4.229 -7.774 11.535 1.00 0.00 C ATOM 0 HA PRO A 160 3.285 -8.611 8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 160 1.217 -7.597 10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.929 -9.173 10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.477 -6.567 11.836 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.361 -8.177 12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.768 -6.999 12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.565 -8.733 11.929 1.00 0.00 H new ATOM 354 N PHE A 161 2.387 -6.729 7.336 1.00 0.00 N ATOM 355 CA PHE A 161 2.051 -5.618 6.453 1.00 0.00 C ATOM 356 C PHE A 161 0.987 -4.719 7.080 1.00 0.00 C ATOM 357 O PHE A 161 0.957 -3.516 6.832 1.00 0.00 O ATOM 358 CB PHE A 161 1.563 -6.163 5.108 1.00 0.00 C ATOM 359 CG PHE A 161 1.195 -5.106 4.109 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.174 -4.475 3.358 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.128 -4.743 3.919 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.841 -3.503 2.435 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.469 -3.771 2.999 1.00 0.00 C ATOM 364 CZ PHE A 161 0.517 -3.150 2.255 1.00 0.00 C ATOM 0 H PHE A 161 2.221 -7.648 6.927 1.00 0.00 H new ATOM 0 HA PHE A 161 2.945 -5.015 6.296 1.00 0.00 H new ATOM 0 HB2 PHE A 161 2.342 -6.794 4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.696 -6.800 5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.210 -4.747 3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.902 -5.226 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.614 -3.020 1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.504 -3.496 2.861 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.253 -2.390 1.534 1.00 0.00 H new ATOM 374 N ARG A 162 0.132 -5.311 7.910 1.00 0.00 N ATOM 375 CA ARG A 162 -0.926 -4.564 8.578 1.00 0.00 C ATOM 376 C ARG A 162 -0.321 -3.528 9.529 1.00 0.00 C ATOM 377 O ARG A 162 -0.864 -2.439 9.707 1.00 0.00 O ATOM 378 CB ARG A 162 -1.859 -5.528 9.340 1.00 0.00 C ATOM 379 CG ARG A 162 -1.322 -6.003 10.686 1.00 0.00 C ATOM 380 CD ARG A 162 -1.853 -5.144 11.827 1.00 0.00 C ATOM 381 NE ARG A 162 -0.947 -5.103 12.977 1.00 0.00 N ATOM 382 CZ ARG A 162 -1.353 -5.143 14.246 1.00 0.00 C ATOM 383 NH1 ARG A 162 -2.632 -5.350 14.531 1.00 0.00 N ATOM 384 NH2 ARG A 162 -0.472 -4.973 15.227 1.00 0.00 N ATOM 0 H ARG A 162 0.152 -6.306 8.135 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.516 -4.038 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.817 -5.034 9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.050 -6.399 8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -1.607 -7.043 10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -0.233 -5.968 10.678 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.019 -4.129 11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -2.821 -5.531 12.147 1.00 0.00 H new ATOM 0 HE ARG A 162 0.055 -5.040 12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.308 -5.479 13.778 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.940 -5.380 15.503 1.00 0.00 H new ATOM 0 HH21 ARG A 162 0.511 -4.813 15.007 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -0.779 -5.003 16.199 1.00 0.00 H new ATOM 398 N ASP A 163 0.819 -3.875 10.116 1.00 0.00 N ATOM 399 CA ASP A 163 1.478 -3.020 11.096 1.00 0.00 C ATOM 400 C ASP A 163 2.292 -1.954 10.377 1.00 0.00 C ATOM 401 O ASP A 163 2.403 -0.811 10.826 1.00 0.00 O ATOM 402 CB ASP A 163 2.393 -3.867 11.982 1.00 0.00 C ATOM 403 CG ASP A 163 2.483 -3.353 13.402 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.883 -3.987 14.297 1.00 0.00 O ATOM 405 OD2 ASP A 163 3.159 -2.332 13.639 1.00 0.00 O ATOM 0 H ASP A 163 1.309 -4.750 9.928 1.00 0.00 H new ATOM 0 HA ASP A 163 0.727 -2.535 11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.027 -4.894 11.996 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.392 -3.890 11.546 1.00 0.00 H new ATOM 411 N TYR A 164 2.844 -2.357 9.240 1.00 0.00 N ATOM 412 CA TYR A 164 3.647 -1.486 8.399 1.00 0.00 C ATOM 413 C TYR A 164 2.814 -0.320 7.873 1.00 0.00 C ATOM 414 O TYR A 164 3.230 0.834 7.963 1.00 0.00 O ATOM 415 CB TYR A 164 4.237 -2.317 7.253 1.00 0.00 C ATOM 416 CG TYR A 164 4.647 -1.533 6.024 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.824 -0.795 5.993 1.00 0.00 C ATOM 418 CD2 TYR A 164 3.855 -1.552 4.885 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.196 -0.097 4.856 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.217 -0.857 3.750 1.00 0.00 C ATOM 421 CZ TYR A 164 5.387 -0.133 3.737 1.00 0.00 C ATOM 422 OH TYR A 164 5.749 0.554 2.602 1.00 0.00 O ATOM 0 H TYR A 164 2.745 -3.304 8.875 1.00 0.00 H new ATOM 0 HA TYR A 164 4.460 -1.056 8.984 1.00 0.00 H new ATOM 0 HB2 TYR A 164 5.109 -2.854 7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.504 -3.067 6.956 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.457 -0.765 6.867 1.00 0.00 H new ATOM 0 HD2 TYR A 164 2.938 -2.122 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.114 0.472 4.844 1.00 0.00 H new ATOM 0 HE2 TYR A 164 3.585 -0.881 2.875 1.00 0.00 H new ATOM 0 HH TYR A 164 5.579 1.511 2.730 1.00 0.00 H new ATOM 432 N VAL A 165 1.634 -0.629 7.350 1.00 0.00 N ATOM 433 CA VAL A 165 0.733 0.389 6.817 1.00 0.00 C ATOM 434 C VAL A 165 0.304 1.380 7.890 1.00 0.00 C ATOM 435 O VAL A 165 0.250 2.584 7.638 1.00 0.00 O ATOM 436 CB VAL A 165 -0.512 -0.258 6.172 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.691 0.701 6.129 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.180 -0.722 4.771 1.00 0.00 C ATOM 0 H VAL A 165 1.276 -1.582 7.283 1.00 0.00 H new ATOM 0 HA VAL A 165 1.285 0.935 6.052 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.799 -1.110 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.546 0.206 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.951 1.004 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.423 1.581 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -1.062 -1.178 4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.135 0.131 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.626 -1.454 4.812 1.00 0.00 H new ATOM 448 N ASP A 166 0.019 0.876 9.084 1.00 0.00 N ATOM 449 CA ASP A 166 -0.450 1.724 10.176 1.00 0.00 C ATOM 450 C ASP A 166 0.522 2.872 10.426 1.00 0.00 C ATOM 451 O ASP A 166 0.109 4.025 10.555 1.00 0.00 O ATOM 452 CB ASP A 166 -0.637 0.911 11.459 1.00 0.00 C ATOM 453 CG ASP A 166 -1.232 1.738 12.585 1.00 0.00 C ATOM 454 OD1 ASP A 166 -2.433 1.569 12.886 1.00 0.00 O ATOM 455 OD2 ASP A 166 -0.505 2.565 13.179 1.00 0.00 O ATOM 0 H ASP A 166 0.104 -0.112 9.322 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.415 2.138 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -1.286 0.059 11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.326 0.510 11.776 1.00 0.00 H new ATOM 461 N ARG A 167 1.812 2.557 10.470 1.00 0.00 N ATOM 462 CA ARG A 167 2.833 3.570 10.722 1.00 0.00 C ATOM 463 C ARG A 167 3.147 4.348 9.449 1.00 0.00 C ATOM 464 O ARG A 167 3.361 5.559 9.488 1.00 0.00 O ATOM 465 CB ARG A 167 4.112 2.933 11.264 1.00 0.00 C ATOM 466 CG ARG A 167 3.893 2.073 12.496 1.00 0.00 C ATOM 467 CD ARG A 167 5.212 1.671 13.136 1.00 0.00 C ATOM 468 NE ARG A 167 6.140 1.067 12.182 1.00 0.00 N ATOM 469 CZ ARG A 167 6.351 -0.240 12.077 1.00 0.00 C ATOM 470 NH1 ARG A 167 5.623 -1.095 12.778 1.00 0.00 N ATOM 471 NH2 ARG A 167 7.286 -0.696 11.260 1.00 0.00 N ATOM 0 H ARG A 167 2.175 1.613 10.335 1.00 0.00 H new ATOM 0 HA ARG A 167 2.439 4.258 11.470 1.00 0.00 H new ATOM 0 HB2 ARG A 167 4.563 2.323 10.482 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.826 3.721 11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 167 3.288 2.619 13.220 1.00 0.00 H new ATOM 0 HG3 ARG A 167 3.333 1.179 12.222 1.00 0.00 H new ATOM 0 HD2 ARG A 167 5.677 2.550 13.583 1.00 0.00 H new ATOM 0 HD3 ARG A 167 5.019 0.966 13.945 1.00 0.00 H new ATOM 0 HE ARG A 167 6.657 1.687 11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 167 4.894 -0.751 13.404 1.00 0.00 H new ATOM 0 HH12 ARG A 167 5.791 -2.097 12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 167 7.845 -0.044 10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 167 7.448 -1.700 11.180 1.00 0.00 H new ATOM 485 N PHE A 168 3.165 3.641 8.325 1.00 0.00 N ATOM 486 CA PHE A 168 3.424 4.249 7.024 1.00 0.00 C ATOM 487 C PHE A 168 2.429 5.378 6.765 1.00 0.00 C ATOM 488 O PHE A 168 2.811 6.497 6.415 1.00 0.00 O ATOM 489 CB PHE A 168 3.317 3.175 5.933 1.00 0.00 C ATOM 490 CG PHE A 168 3.679 3.641 4.552 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.781 4.371 3.798 1.00 0.00 C ATOM 492 CD2 PHE A 168 4.913 3.336 4.001 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.103 4.791 2.525 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.241 3.754 2.725 1.00 0.00 C ATOM 495 CZ PHE A 168 4.334 4.484 1.987 1.00 0.00 C ATOM 0 H PHE A 168 3.001 2.635 8.289 1.00 0.00 H new ATOM 0 HA PHE A 168 4.429 4.671 7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 168 3.964 2.340 6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.296 2.794 5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.814 4.616 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.627 2.765 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.390 5.361 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.206 3.509 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.587 4.814 0.990 1.00 0.00 H new ATOM 505 N TYR A 169 1.153 5.068 6.958 1.00 0.00 N ATOM 506 CA TYR A 169 0.076 6.037 6.793 1.00 0.00 C ATOM 507 C TYR A 169 0.274 7.262 7.695 1.00 0.00 C ATOM 508 O TYR A 169 -0.012 8.391 7.290 1.00 0.00 O ATOM 509 CB TYR A 169 -1.265 5.352 7.080 1.00 0.00 C ATOM 510 CG TYR A 169 -2.325 6.259 7.658 1.00 0.00 C ATOM 511 CD1 TYR A 169 -3.035 7.138 6.852 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.614 6.229 9.015 1.00 0.00 C ATOM 513 CE1 TYR A 169 -4.000 7.970 7.389 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.576 7.053 9.558 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.267 7.920 8.743 1.00 0.00 C ATOM 516 OH TYR A 169 -5.217 8.750 9.288 1.00 0.00 O ATOM 0 H TYR A 169 0.835 4.139 7.233 1.00 0.00 H new ATOM 0 HA TYR A 169 0.084 6.399 5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.642 4.919 6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -1.095 4.527 7.772 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.831 7.173 5.792 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.075 5.548 9.657 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.542 8.655 6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -3.786 7.018 10.617 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.281 8.586 10.252 1.00 0.00 H new ATOM 526 N LYS A 170 0.772 7.039 8.909 1.00 0.00 N ATOM 527 CA LYS A 170 0.992 8.131 9.855 1.00 0.00 C ATOM 528 C LYS A 170 2.013 9.119 9.302 1.00 0.00 C ATOM 529 O LYS A 170 1.785 10.330 9.298 1.00 0.00 O ATOM 530 CB LYS A 170 1.493 7.601 11.203 1.00 0.00 C ATOM 531 CG LYS A 170 0.557 6.625 11.896 1.00 0.00 C ATOM 532 CD LYS A 170 -0.796 7.241 12.187 1.00 0.00 C ATOM 533 CE LYS A 170 -1.673 6.297 12.998 1.00 0.00 C ATOM 534 NZ LYS A 170 -1.886 4.992 12.309 1.00 0.00 N ATOM 0 H LYS A 170 1.030 6.117 9.260 1.00 0.00 H new ATOM 0 HA LYS A 170 0.036 8.634 10.002 1.00 0.00 H new ATOM 0 HB2 LYS A 170 2.455 7.112 11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.668 8.447 11.867 1.00 0.00 H new ATOM 0 HG2 LYS A 170 0.426 5.743 11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 170 1.010 6.289 12.829 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -0.662 8.175 12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -1.294 7.488 11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -1.212 6.121 13.970 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -2.638 6.770 13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -2.904 4.842 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -1.397 5.000 11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -1.506 4.223 12.897 1.00 0.00 H new ATOM 548 N THR A 171 3.137 8.589 8.834 1.00 0.00 N ATOM 549 CA THR A 171 4.217 9.411 8.313 1.00 0.00 C ATOM 550 C THR A 171 3.777 10.178 7.066 1.00 0.00 C ATOM 551 O THR A 171 4.122 11.347 6.900 1.00 0.00 O ATOM 552 CB THR A 171 5.453 8.550 7.990 1.00 0.00 C ATOM 553 OG1 THR A 171 5.773 7.733 9.123 1.00 0.00 O ATOM 554 CG2 THR A 171 6.653 9.422 7.641 1.00 0.00 C ATOM 0 H THR A 171 3.322 7.586 8.806 1.00 0.00 H new ATOM 0 HA THR A 171 4.482 10.132 9.086 1.00 0.00 H new ATOM 0 HB THR A 171 5.220 7.924 7.129 1.00 0.00 H new ATOM 0 HG1 THR A 171 6.738 7.565 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.511 8.788 7.418 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.417 10.034 6.770 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.890 10.069 8.485 1.00 0.00 H new ATOM 562 N LEU A 172 2.986 9.529 6.211 1.00 0.00 N ATOM 563 CA LEU A 172 2.477 10.167 4.995 1.00 0.00 C ATOM 564 C LEU A 172 1.747 11.469 5.307 1.00 0.00 C ATOM 565 O LEU A 172 1.804 12.428 4.533 1.00 0.00 O ATOM 566 CB LEU A 172 1.529 9.235 4.242 1.00 0.00 C ATOM 567 CG LEU A 172 2.183 8.152 3.402 1.00 0.00 C ATOM 568 CD1 LEU A 172 1.123 7.451 2.580 1.00 0.00 C ATOM 569 CD2 LEU A 172 3.259 8.741 2.499 1.00 0.00 C ATOM 0 H LEU A 172 2.684 8.563 6.337 1.00 0.00 H new ATOM 0 HA LEU A 172 3.343 10.388 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 172 0.871 8.756 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 172 0.899 9.840 3.591 1.00 0.00 H new ATOM 0 HG LEU A 172 2.664 7.431 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 172 1.588 6.672 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 172 0.385 7.002 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 172 0.632 8.173 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 172 3.713 7.946 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.811 9.479 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 172 4.024 9.221 3.110 1.00 0.00 H new ATOM 581 N ARG A 173 1.060 11.503 6.438 1.00 0.00 N ATOM 582 CA ARG A 173 0.312 12.686 6.834 1.00 0.00 C ATOM 583 C ARG A 173 1.254 13.819 7.241 1.00 0.00 C ATOM 584 O ARG A 173 0.910 14.991 7.119 1.00 0.00 O ATOM 585 CB ARG A 173 -0.648 12.361 7.979 1.00 0.00 C ATOM 586 CG ARG A 173 -1.768 11.426 7.571 1.00 0.00 C ATOM 587 CD ARG A 173 -2.714 11.139 8.718 1.00 0.00 C ATOM 588 NE ARG A 173 -3.397 12.347 9.176 1.00 0.00 N ATOM 589 CZ ARG A 173 -4.367 12.358 10.089 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.830 11.224 10.594 1.00 0.00 N ATOM 591 NH2 ARG A 173 -4.898 13.510 10.469 1.00 0.00 N ATOM 0 H ARG A 173 1.005 10.726 7.097 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.270 13.016 5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -0.087 11.910 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -1.077 13.288 8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -2.325 11.866 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -1.344 10.490 7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.452 10.401 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.158 10.700 9.546 1.00 0.00 H new ATOM 0 HE ARG A 173 -3.113 13.239 8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -4.444 10.332 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -5.573 11.243 11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -4.564 14.384 10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -5.641 13.523 11.168 1.00 0.00 H new ATOM 605 N ALA A 174 2.449 13.462 7.693 1.00 0.00 N ATOM 606 CA ALA A 174 3.419 14.447 8.166 1.00 0.00 C ATOM 607 C ALA A 174 4.353 14.897 7.045 1.00 0.00 C ATOM 608 O ALA A 174 4.937 15.980 7.114 1.00 0.00 O ATOM 609 CB ALA A 174 4.224 13.878 9.325 1.00 0.00 C ATOM 0 H ALA A 174 2.772 12.496 7.743 1.00 0.00 H new ATOM 0 HA ALA A 174 2.866 15.321 8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.943 14.622 9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.551 13.619 10.143 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.755 12.985 8.995 1.00 0.00 H new ATOM 615 N GLU A 175 4.496 14.052 6.023 1.00 0.00 N ATOM 616 CA GLU A 175 5.344 14.362 4.871 1.00 0.00 C ATOM 617 C GLU A 175 4.956 15.693 4.242 1.00 0.00 C ATOM 618 O GLU A 175 3.793 15.922 3.906 1.00 0.00 O ATOM 619 CB GLU A 175 5.266 13.249 3.820 1.00 0.00 C ATOM 620 CG GLU A 175 5.846 11.923 4.285 1.00 0.00 C ATOM 621 CD GLU A 175 7.278 12.056 4.769 1.00 0.00 C ATOM 622 OE1 GLU A 175 7.485 12.273 5.979 1.00 0.00 O ATOM 623 OE2 GLU A 175 8.203 11.948 3.934 1.00 0.00 O ATOM 0 H GLU A 175 4.034 13.144 5.970 1.00 0.00 H new ATOM 0 HA GLU A 175 6.370 14.436 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.223 13.100 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.795 13.572 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.229 11.522 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.807 11.205 3.466 1.00 0.00 H new ATOM 631 N GLN A 176 5.941 16.567 4.084 1.00 0.00 N ATOM 632 CA GLN A 176 5.713 17.894 3.534 1.00 0.00 C ATOM 633 C GLN A 176 5.761 17.870 2.010 1.00 0.00 C ATOM 634 O GLN A 176 6.658 18.436 1.389 1.00 0.00 O ATOM 635 CB GLN A 176 6.741 18.879 4.093 1.00 0.00 C ATOM 636 CG GLN A 176 6.603 19.095 5.588 1.00 0.00 C ATOM 637 CD GLN A 176 7.661 20.020 6.153 1.00 0.00 C ATOM 638 OE1 GLN A 176 8.160 20.911 5.468 1.00 0.00 O ATOM 639 NE2 GLN A 176 8.005 19.816 7.413 1.00 0.00 N ATOM 0 H GLN A 176 6.912 16.377 4.331 1.00 0.00 H new ATOM 0 HA GLN A 176 4.717 18.223 3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 176 7.744 18.511 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 176 6.635 19.836 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 176 5.617 19.508 5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 176 6.662 18.132 6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 176 7.566 19.065 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 176 8.709 20.409 7.852 1.00 0.00 H new ATOM 648 N ALA A 177 4.784 17.202 1.417 1.00 0.00 N ATOM 649 CA ALA A 177 4.685 17.108 -0.030 1.00 0.00 C ATOM 650 C ALA A 177 3.255 17.372 -0.480 1.00 0.00 C ATOM 651 O ALA A 177 2.333 17.378 0.337 1.00 0.00 O ATOM 652 CB ALA A 177 5.145 15.737 -0.506 1.00 0.00 C ATOM 0 H ALA A 177 4.043 16.714 1.921 1.00 0.00 H new ATOM 0 HA ALA A 177 5.334 17.864 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 177 5.065 15.683 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 177 6.182 15.578 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.518 14.967 -0.057 1.00 0.00 H new ATOM 658 N SER A 178 3.079 17.591 -1.776 1.00 0.00 N ATOM 659 CA SER A 178 1.756 17.810 -2.343 1.00 0.00 C ATOM 660 C SER A 178 0.952 16.511 -2.308 1.00 0.00 C ATOM 661 O SER A 178 1.535 15.432 -2.427 1.00 0.00 O ATOM 662 CB SER A 178 1.887 18.319 -3.778 1.00 0.00 C ATOM 663 OG SER A 178 2.838 19.371 -3.854 1.00 0.00 O ATOM 0 H SER A 178 3.839 17.622 -2.456 1.00 0.00 H new ATOM 0 HA SER A 178 1.230 18.560 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 178 2.189 17.501 -4.433 1.00 0.00 H new ATOM 0 HB3 SER A 178 0.919 18.671 -4.134 1.00 0.00 H new ATOM 0 HG SER A 178 2.909 19.682 -4.781 1.00 0.00 H new ATOM 669 N GLN A 179 -0.364 16.605 -2.134 1.00 0.00 N ATOM 670 CA GLN A 179 -1.193 15.418 -1.926 1.00 0.00 C ATOM 671 C GLN A 179 -1.011 14.389 -3.043 1.00 0.00 C ATOM 672 O GLN A 179 -0.731 13.219 -2.767 1.00 0.00 O ATOM 673 CB GLN A 179 -2.670 15.795 -1.796 1.00 0.00 C ATOM 674 CG GLN A 179 -3.569 14.596 -1.532 1.00 0.00 C ATOM 675 CD GLN A 179 -5.012 14.973 -1.261 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.223 16.118 -0.634 1.00 0.00 O flip ATOM 677 NE2 GLN A 179 -5.931 14.223 -1.595 1.00 0.00 N flip ATOM 0 H GLN A 179 -0.878 17.486 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 179 -0.862 14.962 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -2.786 16.514 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -2.995 16.291 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.531 13.927 -2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.180 14.041 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.726 13.348 -2.077 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -6.897 14.477 -1.389 1.00 0.00 H new ATOM 686 N GLU A 180 -1.147 14.826 -4.293 1.00 0.00 N ATOM 687 CA GLU A 180 -1.010 13.925 -5.440 1.00 0.00 C ATOM 688 C GLU A 180 0.371 13.274 -5.454 1.00 0.00 C ATOM 689 O GLU A 180 0.511 12.091 -5.770 1.00 0.00 O ATOM 690 CB GLU A 180 -1.255 14.677 -6.756 1.00 0.00 C ATOM 691 CG GLU A 180 -0.221 15.755 -7.053 1.00 0.00 C ATOM 692 CD GLU A 180 -0.485 16.483 -8.352 1.00 0.00 C ATOM 693 OE1 GLU A 180 -0.097 15.967 -9.422 1.00 0.00 O ATOM 694 OE2 GLU A 180 -1.073 17.583 -8.308 1.00 0.00 O ATOM 0 H GLU A 180 -1.351 15.795 -4.539 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.762 13.142 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -1.264 13.960 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -2.244 15.135 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -0.209 16.475 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 180 0.769 15.301 -7.092 1.00 0.00 H new ATOM 702 N VAL A 181 1.383 14.051 -5.078 1.00 0.00 N ATOM 703 CA VAL A 181 2.749 13.556 -5.010 1.00 0.00 C ATOM 704 C VAL A 181 2.860 12.478 -3.937 1.00 0.00 C ATOM 705 O VAL A 181 3.540 11.471 -4.124 1.00 0.00 O ATOM 706 CB VAL A 181 3.749 14.695 -4.713 1.00 0.00 C ATOM 707 CG1 VAL A 181 5.176 14.170 -4.648 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.631 15.792 -5.760 1.00 0.00 C ATOM 0 H VAL A 181 1.279 15.031 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 181 3.000 13.131 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 181 3.502 15.115 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.858 14.994 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 181 5.254 13.424 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 181 5.440 13.715 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 181 4.342 16.587 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.847 15.379 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 181 2.619 16.197 -5.750 1.00 0.00 H new ATOM 718 N LYS A 182 2.165 12.690 -2.822 1.00 0.00 N ATOM 719 CA LYS A 182 2.111 11.697 -1.753 1.00 0.00 C ATOM 720 C LYS A 182 1.547 10.385 -2.276 1.00 0.00 C ATOM 721 O LYS A 182 2.093 9.319 -2.005 1.00 0.00 O ATOM 722 CB LYS A 182 1.249 12.175 -0.581 1.00 0.00 C ATOM 723 CG LYS A 182 1.789 13.391 0.149 1.00 0.00 C ATOM 724 CD LYS A 182 1.017 13.632 1.434 1.00 0.00 C ATOM 725 CE LYS A 182 1.505 14.869 2.158 1.00 0.00 C ATOM 726 NZ LYS A 182 0.937 14.961 3.527 1.00 0.00 N ATOM 0 H LYS A 182 1.632 13.540 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 182 3.131 11.550 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.250 12.405 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.144 11.357 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 182 2.845 13.246 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 182 1.718 14.268 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -0.044 13.738 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 182 1.118 12.765 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 182 2.593 14.852 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 182 1.230 15.757 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.332 15.792 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.097 15.053 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.178 14.102 4.061 1.00 0.00 H new ATOM 740 N ASN A 183 0.460 10.466 -3.041 1.00 0.00 N ATOM 741 CA ASN A 183 -0.201 9.262 -3.539 1.00 0.00 C ATOM 742 C ASN A 183 0.718 8.525 -4.501 1.00 0.00 C ATOM 743 O ASN A 183 0.897 7.312 -4.394 1.00 0.00 O ATOM 744 CB ASN A 183 -1.539 9.569 -4.240 1.00 0.00 C ATOM 745 CG ASN A 183 -2.605 10.187 -3.334 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.196 10.906 -2.302 1.00 0.00 O flip ATOM 747 ND2 ASN A 183 -3.799 10.011 -3.566 1.00 0.00 N flip ATOM 0 H ASN A 183 0.023 11.342 -3.327 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.420 8.637 -2.673 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.351 10.247 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.932 8.645 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -4.085 9.452 -4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -4.504 10.424 -2.955 1.00 0.00 H new ATOM 754 N ALA A 184 1.317 9.274 -5.421 1.00 0.00 N ATOM 755 CA ALA A 184 2.222 8.709 -6.413 1.00 0.00 C ATOM 756 C ALA A 184 3.453 8.091 -5.752 1.00 0.00 C ATOM 757 O ALA A 184 3.903 7.014 -6.144 1.00 0.00 O ATOM 758 CB ALA A 184 2.630 9.783 -7.412 1.00 0.00 C ATOM 0 H ALA A 184 1.190 10.283 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 184 1.699 7.912 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.307 9.354 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.743 10.169 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.133 10.595 -6.888 1.00 0.00 H new ATOM 764 N ALA A 185 3.989 8.774 -4.748 1.00 0.00 N ATOM 765 CA ALA A 185 5.143 8.271 -4.014 1.00 0.00 C ATOM 766 C ALA A 185 4.779 7.007 -3.249 1.00 0.00 C ATOM 767 O ALA A 185 5.540 6.039 -3.229 1.00 0.00 O ATOM 768 CB ALA A 185 5.675 9.329 -3.062 1.00 0.00 C ATOM 0 H ALA A 185 3.643 9.677 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 185 5.926 8.029 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.536 8.934 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.975 10.211 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.896 9.602 -2.350 1.00 0.00 H new ATOM 774 N THR A 186 3.605 7.017 -2.634 1.00 0.00 N ATOM 775 CA THR A 186 3.119 5.864 -1.893 1.00 0.00 C ATOM 776 C THR A 186 2.997 4.650 -2.803 1.00 0.00 C ATOM 777 O THR A 186 3.373 3.549 -2.426 1.00 0.00 O ATOM 778 CB THR A 186 1.747 6.146 -1.251 1.00 0.00 C ATOM 779 OG1 THR A 186 1.831 7.293 -0.401 1.00 0.00 O ATOM 780 CG2 THR A 186 1.260 4.948 -0.447 1.00 0.00 C ATOM 0 H THR A 186 2.970 7.815 -2.634 1.00 0.00 H new ATOM 0 HA THR A 186 3.845 5.661 -1.105 1.00 0.00 H new ATOM 0 HB THR A 186 1.033 6.336 -2.052 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.646 8.101 -0.923 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.290 5.176 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.166 4.083 -1.104 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.976 4.726 0.345 1.00 0.00 H new ATOM 788 N GLU A 187 2.495 4.871 -4.011 1.00 0.00 N ATOM 789 CA GLU A 187 2.251 3.792 -4.958 1.00 0.00 C ATOM 790 C GLU A 187 3.523 3.012 -5.287 1.00 0.00 C ATOM 791 O GLU A 187 3.459 1.826 -5.607 1.00 0.00 O ATOM 792 CB GLU A 187 1.607 4.350 -6.225 1.00 0.00 C ATOM 793 CG GLU A 187 0.129 4.648 -6.041 1.00 0.00 C ATOM 794 CD GLU A 187 -0.700 3.384 -6.000 1.00 0.00 C ATOM 795 OE1 GLU A 187 -0.458 2.543 -5.104 1.00 0.00 O ATOM 796 OE2 GLU A 187 -1.594 3.229 -6.854 1.00 0.00 O ATOM 0 H GLU A 187 2.247 5.797 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 187 1.565 3.086 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 187 2.125 5.263 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 187 1.732 3.635 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.016 5.208 -5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 187 -0.218 5.283 -6.856 1.00 0.00 H new ATOM 804 N THR A 188 4.673 3.666 -5.192 1.00 0.00 N ATOM 805 CA THR A 188 5.940 2.984 -5.403 1.00 0.00 C ATOM 806 C THR A 188 6.522 2.496 -4.078 1.00 0.00 C ATOM 807 O THR A 188 6.888 1.330 -3.945 1.00 0.00 O ATOM 808 CB THR A 188 6.963 3.888 -6.122 1.00 0.00 C ATOM 809 OG1 THR A 188 7.072 5.150 -5.448 1.00 0.00 O ATOM 810 CG2 THR A 188 6.558 4.118 -7.569 1.00 0.00 C ATOM 0 H THR A 188 4.754 4.659 -4.972 1.00 0.00 H new ATOM 0 HA THR A 188 5.738 2.124 -6.042 1.00 0.00 H new ATOM 0 HB THR A 188 7.929 3.384 -6.104 1.00 0.00 H new ATOM 0 HG1 THR A 188 7.725 5.714 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 188 7.294 4.758 -8.056 1.00 0.00 H new ATOM 0 HG22 THR A 188 6.508 3.162 -8.089 1.00 0.00 H new ATOM 0 HG23 THR A 188 5.581 4.600 -7.601 1.00 0.00 H new ATOM 818 N LEU A 189 6.577 3.389 -3.093 1.00 0.00 N ATOM 819 CA LEU A 189 7.172 3.081 -1.790 1.00 0.00 C ATOM 820 C LEU A 189 6.457 1.924 -1.096 1.00 0.00 C ATOM 821 O LEU A 189 7.094 1.105 -0.436 1.00 0.00 O ATOM 822 CB LEU A 189 7.139 4.317 -0.889 1.00 0.00 C ATOM 823 CG LEU A 189 7.982 5.499 -1.371 1.00 0.00 C ATOM 824 CD1 LEU A 189 7.746 6.714 -0.488 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.457 5.130 -1.388 1.00 0.00 C ATOM 0 H LEU A 189 6.215 4.339 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 189 8.205 2.781 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 189 6.105 4.646 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.480 4.030 0.106 1.00 0.00 H new ATOM 0 HG LEU A 189 7.679 5.748 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.353 7.546 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 189 6.693 6.991 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 189 8.023 6.477 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 189 10.041 5.983 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.775 4.856 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.613 4.287 -2.061 1.00 0.00 H new ATOM 837 N LEU A 190 5.141 1.864 -1.261 1.00 0.00 N ATOM 838 CA LEU A 190 4.319 0.815 -0.658 1.00 0.00 C ATOM 839 C LEU A 190 4.839 -0.559 -1.074 1.00 0.00 C ATOM 840 O LEU A 190 4.976 -1.464 -0.254 1.00 0.00 O ATOM 841 CB LEU A 190 2.858 1.013 -1.107 1.00 0.00 C ATOM 842 CG LEU A 190 1.759 0.324 -0.283 1.00 0.00 C ATOM 843 CD1 LEU A 190 1.644 -1.150 -0.631 1.00 0.00 C ATOM 844 CD2 LEU A 190 2.011 0.504 1.205 1.00 0.00 C ATOM 0 H LEU A 190 4.612 2.538 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 190 4.370 0.875 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.651 2.083 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.773 0.665 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 190 0.811 0.799 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 190 0.857 -1.606 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 190 1.400 -1.256 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.592 -1.647 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 190 1.222 0.009 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 190 2.974 0.066 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 190 2.018 1.567 1.447 1.00 0.00 H new ATOM 856 N VAL A 191 5.132 -0.696 -2.358 1.00 0.00 N ATOM 857 CA VAL A 191 5.642 -1.945 -2.902 1.00 0.00 C ATOM 858 C VAL A 191 7.147 -2.092 -2.650 1.00 0.00 C ATOM 859 O VAL A 191 7.619 -3.149 -2.231 1.00 0.00 O ATOM 860 CB VAL A 191 5.359 -2.035 -4.416 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.787 -3.383 -4.969 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.887 -1.784 -4.700 1.00 0.00 C ATOM 0 H VAL A 191 5.024 0.048 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 191 5.126 -2.758 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 191 5.944 -1.263 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.577 -3.421 -6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.856 -3.521 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 191 5.236 -4.176 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.707 -1.852 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 191 3.284 -2.531 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.613 -0.789 -4.348 1.00 0.00 H new ATOM 872 N GLN A 192 7.889 -1.013 -2.898 1.00 0.00 N ATOM 873 CA GLN A 192 9.353 -1.032 -2.827 1.00 0.00 C ATOM 874 C GLN A 192 9.861 -1.296 -1.411 1.00 0.00 C ATOM 875 O GLN A 192 10.834 -2.026 -1.222 1.00 0.00 O ATOM 876 CB GLN A 192 9.932 0.291 -3.341 1.00 0.00 C ATOM 877 CG GLN A 192 9.737 0.508 -4.834 1.00 0.00 C ATOM 878 CD GLN A 192 10.137 1.903 -5.278 1.00 0.00 C ATOM 879 OE1 GLN A 192 9.963 2.881 -4.399 1.00 0.00 O flip ATOM 880 NE2 GLN A 192 10.591 2.103 -6.406 1.00 0.00 N flip ATOM 0 H GLN A 192 7.497 -0.106 -3.152 1.00 0.00 H new ATOM 0 HA GLN A 192 9.689 -1.852 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.467 1.115 -2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 192 10.998 0.323 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 192 10.325 -0.227 -5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 192 8.691 0.335 -5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 192 10.710 1.324 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 192 10.848 3.048 -6.692 1.00 0.00 H new ATOM 889 N ASN A 193 9.198 -0.714 -0.420 1.00 0.00 N ATOM 890 CA ASN A 193 9.653 -0.820 0.964 1.00 0.00 C ATOM 891 C ASN A 193 9.074 -2.056 1.638 1.00 0.00 C ATOM 892 O ASN A 193 9.088 -2.169 2.864 1.00 0.00 O ATOM 893 CB ASN A 193 9.279 0.432 1.767 1.00 0.00 C ATOM 894 CG ASN A 193 9.958 1.689 1.258 1.00 0.00 C ATOM 895 OD1 ASN A 193 11.026 1.634 0.649 1.00 0.00 O ATOM 896 ND2 ASN A 193 9.354 2.837 1.527 1.00 0.00 N ATOM 0 H ASN A 193 8.347 -0.166 -0.546 1.00 0.00 H new ATOM 0 HA ASN A 193 10.739 -0.909 0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.198 0.570 1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.547 0.279 2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.774 3.717 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.469 2.841 2.034 1.00 0.00 H new ATOM 903 N ALA A 194 8.565 -2.974 0.833 1.00 0.00 N ATOM 904 CA ALA A 194 8.036 -4.227 1.335 1.00 0.00 C ATOM 905 C ALA A 194 9.022 -5.357 1.064 1.00 0.00 C ATOM 906 O ALA A 194 9.777 -5.307 0.089 1.00 0.00 O ATOM 907 CB ALA A 194 6.692 -4.526 0.689 1.00 0.00 C ATOM 0 H ALA A 194 8.508 -2.871 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 194 7.891 -4.143 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.305 -5.469 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.991 -3.724 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.816 -4.599 -0.392 1.00 0.00 H new ATOM 913 N ASN A 195 9.023 -6.364 1.936 1.00 0.00 N ATOM 914 CA ASN A 195 9.896 -7.527 1.769 1.00 0.00 C ATOM 915 C ASN A 195 9.564 -8.261 0.476 1.00 0.00 C ATOM 916 O ASN A 195 8.422 -8.205 0.028 1.00 0.00 O ATOM 917 CB ASN A 195 9.763 -8.508 2.945 1.00 0.00 C ATOM 918 CG ASN A 195 10.112 -7.889 4.279 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.282 -7.808 4.648 1.00 0.00 O ATOM 920 ND2 ASN A 195 9.096 -7.499 5.029 1.00 0.00 N ATOM 0 H ASN A 195 8.430 -6.399 2.765 1.00 0.00 H new ATOM 0 HA ASN A 195 10.921 -7.157 1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 195 8.740 -8.884 2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.412 -9.366 2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 195 9.266 -7.111 5.957 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.142 -7.586 4.680 1.00 0.00 H new ATOM 927 N PRO A 196 10.535 -8.961 -0.136 1.00 0.00 N ATOM 928 CA PRO A 196 10.332 -9.643 -1.421 1.00 0.00 C ATOM 929 C PRO A 196 9.082 -10.519 -1.419 1.00 0.00 C ATOM 930 O PRO A 196 8.294 -10.502 -2.370 1.00 0.00 O ATOM 931 CB PRO A 196 11.593 -10.504 -1.586 1.00 0.00 C ATOM 932 CG PRO A 196 12.297 -10.455 -0.271 1.00 0.00 C ATOM 933 CD PRO A 196 11.897 -9.158 0.368 1.00 0.00 C ATOM 0 HA PRO A 196 10.183 -8.933 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.334 -11.529 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.228 -10.118 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.013 -11.301 0.355 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.377 -10.506 -0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.922 -9.217 1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.559 -8.342 0.078 1.00 0.00 H new ATOM 941 N ASP A 197 8.900 -11.265 -0.331 1.00 0.00 N ATOM 942 CA ASP A 197 7.739 -12.126 -0.162 1.00 0.00 C ATOM 943 C ASP A 197 6.458 -11.310 -0.231 1.00 0.00 C ATOM 944 O ASP A 197 5.570 -11.592 -1.034 1.00 0.00 O ATOM 945 CB ASP A 197 7.802 -12.820 1.196 1.00 0.00 C ATOM 946 CG ASP A 197 9.161 -13.409 1.497 1.00 0.00 C ATOM 947 OD1 ASP A 197 9.346 -14.626 1.303 1.00 0.00 O ATOM 948 OD2 ASP A 197 10.052 -12.651 1.931 1.00 0.00 O ATOM 0 H ASP A 197 9.552 -11.287 0.453 1.00 0.00 H new ATOM 0 HA ASP A 197 7.743 -12.866 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 197 7.542 -12.104 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 197 7.054 -13.612 1.228 1.00 0.00 H new ATOM 954 N CYS A 198 6.394 -10.279 0.606 1.00 0.00 N ATOM 955 CA CYS A 198 5.225 -9.416 0.688 1.00 0.00 C ATOM 956 C CYS A 198 4.989 -8.723 -0.647 1.00 0.00 C ATOM 957 O CYS A 198 3.869 -8.683 -1.145 1.00 0.00 O ATOM 958 CB CYS A 198 5.426 -8.385 1.806 1.00 0.00 C ATOM 959 SG CYS A 198 4.055 -7.231 2.030 1.00 0.00 S ATOM 0 H CYS A 198 7.148 -10.021 1.243 1.00 0.00 H new ATOM 0 HA CYS A 198 4.346 -10.018 0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 198 5.593 -8.915 2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 198 6.331 -7.815 1.597 1.00 0.00 H new ATOM 0 HG CYS A 198 2.928 -7.873 1.939 1.00 0.00 H new ATOM 965 N LYS A 199 6.070 -8.219 -1.233 1.00 0.00 N ATOM 966 CA LYS A 199 6.023 -7.514 -2.510 1.00 0.00 C ATOM 967 C LYS A 199 5.421 -8.395 -3.600 1.00 0.00 C ATOM 968 O LYS A 199 4.605 -7.943 -4.407 1.00 0.00 O ATOM 969 CB LYS A 199 7.436 -7.100 -2.905 1.00 0.00 C ATOM 970 CG LYS A 199 7.504 -6.233 -4.145 1.00 0.00 C ATOM 971 CD LYS A 199 8.941 -5.943 -4.533 1.00 0.00 C ATOM 972 CE LYS A 199 9.723 -5.346 -3.374 1.00 0.00 C ATOM 973 NZ LYS A 199 11.150 -5.139 -3.723 1.00 0.00 N ATOM 0 H LYS A 199 7.007 -8.288 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 199 5.392 -6.632 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.891 -6.562 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.033 -7.997 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.996 -6.733 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.977 -5.296 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.423 -6.864 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 199 8.959 -5.255 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 199 9.277 -4.394 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.652 -6.006 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.651 -4.731 -2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.582 -6.051 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 11.219 -4.490 -4.532 1.00 0.00 H new ATOM 987 N THR A 200 5.824 -9.654 -3.605 1.00 0.00 N ATOM 988 CA THR A 200 5.317 -10.613 -4.570 1.00 0.00 C ATOM 989 C THR A 200 3.823 -10.857 -4.354 1.00 0.00 C ATOM 990 O THR A 200 3.070 -11.042 -5.308 1.00 0.00 O ATOM 991 CB THR A 200 6.088 -11.942 -4.463 1.00 0.00 C ATOM 992 OG1 THR A 200 7.485 -11.708 -4.688 1.00 0.00 O ATOM 993 CG2 THR A 200 5.569 -12.968 -5.461 1.00 0.00 C ATOM 0 H THR A 200 6.504 -10.037 -2.948 1.00 0.00 H new ATOM 0 HA THR A 200 5.462 -10.200 -5.568 1.00 0.00 H new ATOM 0 HB THR A 200 5.937 -12.342 -3.460 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.907 -11.419 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.135 -13.894 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.515 -13.164 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 200 5.685 -12.582 -6.474 1.00 0.00 H new ATOM 1001 N ILE A 201 3.399 -10.842 -3.100 1.00 0.00 N ATOM 1002 CA ILE A 201 1.989 -10.990 -2.780 1.00 0.00 C ATOM 1003 C ILE A 201 1.224 -9.730 -3.183 1.00 0.00 C ATOM 1004 O ILE A 201 0.108 -9.807 -3.693 1.00 0.00 O ATOM 1005 CB ILE A 201 1.778 -11.285 -1.281 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.511 -12.573 -0.895 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.294 -11.397 -0.960 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.454 -12.887 0.584 1.00 0.00 C ATOM 0 H ILE A 201 4.009 -10.729 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 201 1.604 -11.840 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 201 2.188 -10.459 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.080 -13.406 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.554 -12.492 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.166 -11.605 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.204 -10.460 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 201 -0.144 -12.206 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 201 2.995 -13.813 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.912 -12.073 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.415 -13.001 0.892 1.00 0.00 H new ATOM 1020 N LEU A 202 1.847 -8.575 -2.977 1.00 0.00 N ATOM 1021 CA LEU A 202 1.258 -7.297 -3.367 1.00 0.00 C ATOM 1022 C LEU A 202 0.968 -7.278 -4.863 1.00 0.00 C ATOM 1023 O LEU A 202 -0.128 -6.913 -5.293 1.00 0.00 O ATOM 1024 CB LEU A 202 2.198 -6.140 -3.007 1.00 0.00 C ATOM 1025 CG LEU A 202 2.592 -6.050 -1.533 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.612 -4.944 -1.322 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.372 -5.823 -0.658 1.00 0.00 C ATOM 0 H LEU A 202 2.765 -8.497 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 202 0.321 -7.174 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.106 -6.233 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.721 -5.203 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 202 3.044 -6.999 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.881 -4.894 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.503 -5.153 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 202 3.185 -3.991 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.679 -5.763 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.885 -4.892 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.675 -6.651 -0.784 1.00 0.00 H new ATOM 1039 N LYS A 203 1.953 -7.694 -5.654 1.00 0.00 N ATOM 1040 CA LYS A 203 1.799 -7.730 -7.101 1.00 0.00 C ATOM 1041 C LYS A 203 0.825 -8.834 -7.513 1.00 0.00 C ATOM 1042 O LYS A 203 0.189 -8.754 -8.569 1.00 0.00 O ATOM 1043 CB LYS A 203 3.158 -7.907 -7.794 1.00 0.00 C ATOM 1044 CG LYS A 203 3.745 -9.305 -7.705 1.00 0.00 C ATOM 1045 CD LYS A 203 5.031 -9.404 -8.507 1.00 0.00 C ATOM 1046 CE LYS A 203 5.644 -10.790 -8.419 1.00 0.00 C ATOM 1047 NZ LYS A 203 6.834 -10.926 -9.301 1.00 0.00 N ATOM 0 H LYS A 203 2.863 -8.009 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 203 1.383 -6.775 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.051 -7.640 -8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.866 -7.203 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 203 3.941 -9.556 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 203 3.023 -10.032 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 203 4.829 -9.162 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.745 -8.667 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 203 5.931 -10.995 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 203 4.899 -11.535 -8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.224 -11.886 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 6.556 -10.755 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 7.556 -10.232 -9.020 1.00 0.00 H new ATOM 1061 N ALA A 204 0.714 -9.865 -6.676 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.221 -10.958 -6.917 1.00 0.00 C ATOM 1063 C ALA A 204 -1.662 -10.465 -6.849 1.00 0.00 C ATOM 1064 O ALA A 204 -2.528 -10.965 -7.569 1.00 0.00 O ATOM 1065 CB ALA A 204 0.002 -12.087 -5.921 1.00 0.00 C ATOM 0 H ALA A 204 1.263 -9.964 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.038 -11.342 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.706 -12.892 -6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.019 -12.466 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 204 -0.147 -11.713 -4.908 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.917 -9.485 -5.981 1.00 0.00 N ATOM 1072 CA LEU A 205 -3.225 -8.839 -5.929 1.00 0.00 C ATOM 1073 C LEU A 205 -3.499 -8.098 -7.230 1.00 0.00 C ATOM 1074 O LEU A 205 -4.551 -8.259 -7.845 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.321 -7.841 -4.767 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.828 -8.383 -3.425 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -5.058 -9.251 -3.616 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -2.742 -9.139 -2.683 1.00 0.00 C ATOM 0 H LEU A 205 -1.239 -9.125 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.965 -9.625 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.332 -7.411 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.977 -7.026 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 205 -4.110 -7.526 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -5.396 -9.622 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -5.851 -8.662 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -4.812 -10.094 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -3.137 -9.508 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -2.405 -9.980 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -1.902 -8.472 -2.489 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.531 -7.294 -7.646 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.678 -6.520 -8.859 1.00 0.00 C ATOM 1092 C GLY A 206 -2.899 -5.051 -8.572 1.00 0.00 C ATOM 1093 O GLY A 206 -3.266 -4.685 -7.455 1.00 0.00 O ATOM 0 H GLY A 206 -1.643 -7.164 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.787 -6.639 -9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.518 -6.907 -9.436 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.688 -4.181 -9.570 1.00 0.00 N ATOM 1098 CA PRO A 207 -2.860 -2.735 -9.406 1.00 0.00 C ATOM 1099 C PRO A 207 -4.329 -2.313 -9.421 1.00 0.00 C ATOM 1100 O PRO A 207 -4.650 -1.135 -9.269 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.127 -2.164 -10.618 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.240 -3.219 -11.662 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.251 -4.536 -10.935 1.00 0.00 C ATOM 0 HA PRO A 207 -2.479 -2.382 -8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -2.579 -1.229 -10.950 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.084 -1.949 -10.384 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.151 -3.091 -12.247 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.404 -3.167 -12.359 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.934 -5.245 -11.402 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.264 -4.999 -10.931 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.209 -3.288 -9.604 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.644 -3.034 -9.650 1.00 0.00 C ATOM 1113 C ALA A 208 -7.317 -3.457 -8.350 1.00 0.00 C ATOM 1114 O ALA A 208 -8.540 -3.603 -8.282 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.267 -3.764 -10.827 1.00 0.00 C ATOM 0 H ALA A 208 -4.953 -4.268 -9.724 1.00 0.00 H new ATOM 0 HA ALA A 208 -6.796 -1.962 -9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.339 -3.567 -10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.813 -3.414 -11.754 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -7.097 -4.836 -10.722 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.511 -3.662 -7.322 1.00 0.00 N ATOM 1122 CA ALA A 209 -7.015 -4.079 -6.023 1.00 0.00 C ATOM 1123 C ALA A 209 -7.032 -2.906 -5.045 1.00 0.00 C ATOM 1124 O ALA A 209 -6.691 -1.781 -5.408 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.168 -5.217 -5.478 1.00 0.00 C ATOM 0 H ALA A 209 -5.498 -3.546 -7.362 1.00 0.00 H new ATOM 0 HA ALA A 209 -8.040 -4.430 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.552 -5.523 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.207 -6.062 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.136 -4.884 -5.372 1.00 0.00 H new ATOM 1131 N THR A 210 -7.426 -3.175 -3.807 1.00 0.00 N ATOM 1132 CA THR A 210 -7.513 -2.142 -2.786 1.00 0.00 C ATOM 1133 C THR A 210 -6.628 -2.510 -1.600 1.00 0.00 C ATOM 1134 O THR A 210 -6.323 -3.690 -1.419 1.00 0.00 O ATOM 1135 CB THR A 210 -8.980 -1.929 -2.321 1.00 0.00 C ATOM 1136 OG1 THR A 210 -9.049 -1.007 -1.226 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.618 -3.246 -1.907 1.00 0.00 C ATOM 0 H THR A 210 -7.692 -4.106 -3.486 1.00 0.00 H new ATOM 0 HA THR A 210 -7.163 -1.205 -3.218 1.00 0.00 H new ATOM 0 HB THR A 210 -9.528 -1.516 -3.168 1.00 0.00 H new ATOM 0 HG1 THR A 210 -8.559 -0.190 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.644 -3.068 -1.586 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.616 -3.933 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 210 -9.051 -3.682 -1.085 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.215 -1.523 -0.808 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.302 -1.748 0.320 1.00 0.00 C ATOM 1147 C LEU A 211 -5.771 -2.910 1.193 1.00 0.00 C ATOM 1148 O LEU A 211 -4.971 -3.743 1.632 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.216 -0.478 1.164 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.346 -0.572 2.409 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.873 -0.534 2.042 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.693 0.551 3.361 1.00 0.00 C ATOM 0 H LEU A 211 -6.499 -0.550 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.320 -2.000 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.835 0.328 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.224 -0.196 1.468 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.540 -1.524 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.270 -0.603 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.640 -1.373 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.650 0.401 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.068 0.480 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.520 1.509 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.742 0.474 3.647 1.00 0.00 H new ATOM 1164 N GLU A 212 -7.079 -2.970 1.395 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.721 -3.983 2.223 1.00 0.00 C ATOM 1166 C GLU A 212 -7.326 -5.402 1.807 1.00 0.00 C ATOM 1167 O GLU A 212 -7.246 -6.304 2.646 1.00 0.00 O ATOM 1168 CB GLU A 212 -9.229 -3.802 2.104 1.00 0.00 C ATOM 1169 CG GLU A 212 -10.054 -4.858 2.805 1.00 0.00 C ATOM 1170 CD GLU A 212 -11.526 -4.692 2.508 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -12.328 -4.601 3.457 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -11.885 -4.616 1.314 1.00 0.00 O ATOM 0 H GLU A 212 -7.735 -2.307 0.982 1.00 0.00 H new ATOM 0 HA GLU A 212 -7.394 -3.856 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.496 -2.825 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.497 -3.794 1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.726 -5.848 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -9.889 -4.797 3.881 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.059 -5.591 0.520 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.691 -6.895 0.003 1.00 0.00 C ATOM 1182 C GLU A 213 -5.355 -7.328 0.594 1.00 0.00 C ATOM 1183 O GLU A 213 -5.226 -8.425 1.138 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.596 -6.850 -1.521 1.00 0.00 C ATOM 1185 CG GLU A 213 -7.900 -6.477 -2.211 1.00 0.00 C ATOM 1186 CD GLU A 213 -8.965 -7.542 -2.063 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -8.865 -8.584 -2.740 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -9.914 -7.347 -1.276 1.00 0.00 O ATOM 0 H GLU A 213 -7.092 -4.853 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.458 -7.616 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -5.827 -6.131 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.271 -7.825 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.270 -5.539 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -7.709 -6.304 -3.270 1.00 0.00 H new ATOM 1196 N MET A 214 -4.378 -6.432 0.513 1.00 0.00 N ATOM 1197 CA MET A 214 -3.028 -6.713 0.988 1.00 0.00 C ATOM 1198 C MET A 214 -2.988 -6.831 2.505 1.00 0.00 C ATOM 1199 O MET A 214 -2.208 -7.608 3.048 1.00 0.00 O ATOM 1200 CB MET A 214 -2.047 -5.629 0.530 1.00 0.00 C ATOM 1201 CG MET A 214 -2.004 -5.436 -0.975 1.00 0.00 C ATOM 1202 SD MET A 214 -3.368 -4.430 -1.581 1.00 0.00 S ATOM 1203 CE MET A 214 -3.331 -4.862 -3.312 1.00 0.00 C ATOM 0 H MET A 214 -4.497 -5.498 0.120 1.00 0.00 H new ATOM 0 HA MET A 214 -2.727 -7.668 0.556 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.319 -4.684 1.000 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.048 -5.884 0.883 1.00 0.00 H new ATOM 0 HG2 MET A 214 -1.060 -4.966 -1.251 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.030 -6.410 -1.464 1.00 0.00 H new ATOM 0 HE1 MET A 214 -3.371 -3.955 -3.914 1.00 0.00 H new ATOM 0 HE2 MET A 214 -2.411 -5.403 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 214 -4.188 -5.493 -3.548 1.00 0.00 H new ATOM 1213 N MET A 215 -3.829 -6.054 3.183 1.00 0.00 N ATOM 1214 CA MET A 215 -3.889 -6.078 4.646 1.00 0.00 C ATOM 1215 C MET A 215 -4.145 -7.496 5.151 1.00 0.00 C ATOM 1216 O MET A 215 -3.585 -7.922 6.161 1.00 0.00 O ATOM 1217 CB MET A 215 -4.984 -5.136 5.157 1.00 0.00 C ATOM 1218 CG MET A 215 -4.812 -3.692 4.709 1.00 0.00 C ATOM 1219 SD MET A 215 -3.279 -2.946 5.296 1.00 0.00 S ATOM 1220 CE MET A 215 -3.604 -2.832 7.052 1.00 0.00 C ATOM 0 H MET A 215 -4.478 -5.400 2.746 1.00 0.00 H new ATOM 0 HA MET A 215 -2.927 -5.738 5.029 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.952 -5.500 4.814 1.00 0.00 H new ATOM 0 HB3 MET A 215 -4.999 -5.169 6.246 1.00 0.00 H new ATOM 0 HG2 MET A 215 -4.835 -3.651 3.620 1.00 0.00 H new ATOM 0 HG3 MET A 215 -5.656 -3.104 5.068 1.00 0.00 H new ATOM 0 HE1 MET A 215 -2.809 -2.262 7.533 1.00 0.00 H new ATOM 0 HE2 MET A 215 -4.558 -2.331 7.214 1.00 0.00 H new ATOM 0 HE3 MET A 215 -3.643 -3.833 7.481 1.00 0.00 H new ATOM 1230 N THR A 216 -4.995 -8.220 4.435 1.00 0.00 N ATOM 1231 CA THR A 216 -5.273 -9.612 4.750 1.00 0.00 C ATOM 1232 C THR A 216 -4.244 -10.539 4.092 1.00 0.00 C ATOM 1233 O THR A 216 -3.774 -11.497 4.706 1.00 0.00 O ATOM 1234 CB THR A 216 -6.698 -9.994 4.296 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.654 -9.142 4.942 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.016 -11.449 4.616 1.00 0.00 C ATOM 0 H THR A 216 -5.506 -7.862 3.628 1.00 0.00 H new ATOM 0 HA THR A 216 -5.203 -9.733 5.831 1.00 0.00 H new ATOM 0 HB THR A 216 -6.752 -9.865 3.215 1.00 0.00 H new ATOM 0 HG1 THR A 216 -8.558 -9.385 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.027 -11.682 4.282 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.306 -12.098 4.103 1.00 0.00 H new ATOM 0 HG23 THR A 216 -6.943 -11.609 5.692 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.880 -10.225 2.853 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.975 -11.061 2.071 1.00 0.00 C ATOM 1246 C ALA A 217 -1.594 -11.179 2.718 1.00 0.00 C ATOM 1247 O ALA A 217 -0.999 -12.255 2.735 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.845 -10.507 0.658 1.00 0.00 C ATOM 0 H ALA A 217 -4.201 -9.389 2.365 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.404 -12.062 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -2.168 -11.137 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.825 -10.495 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.449 -9.492 0.700 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.097 -10.077 3.259 1.00 0.00 N ATOM 1255 CA CYS A 218 0.252 -10.033 3.805 1.00 0.00 C ATOM 1256 C CYS A 218 0.238 -9.938 5.331 1.00 0.00 C ATOM 1257 O CYS A 218 1.204 -9.477 5.945 1.00 0.00 O ATOM 1258 CB CYS A 218 1.015 -8.851 3.212 1.00 0.00 C ATOM 1259 SG CYS A 218 1.086 -8.851 1.406 1.00 0.00 S ATOM 0 H CYS A 218 -1.609 -9.198 3.332 1.00 0.00 H new ATOM 0 HA CYS A 218 0.754 -10.962 3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.547 -7.925 3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.032 -8.854 3.605 1.00 0.00 H new ATOM 0 HG CYS A 218 0.192 -8.032 0.937 1.00 0.00 H new ATOM 1472 N THR B 2 -1.432 3.822 -2.907 1.00 0.00 N ATOM 1473 CA THR B 2 -1.597 5.276 -2.713 1.00 0.00 C ATOM 1474 C THR B 2 -2.122 5.685 -1.317 1.00 0.00 C ATOM 1475 O THR B 2 -2.596 4.874 -0.523 1.00 0.00 O ATOM 1476 CB THR B 2 -2.406 5.976 -3.863 1.00 0.00 C ATOM 1477 OG1 THR B 2 -2.958 7.211 -3.417 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.533 5.140 -4.424 1.00 0.00 C ATOM 0 HA THR B 2 -0.576 5.654 -2.767 1.00 0.00 H new ATOM 0 HB THR B 2 -1.677 6.131 -4.658 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.696 7.472 -4.007 1.00 0.00 H new ATOM 0 HG21 THR B 2 -4.041 5.696 -5.212 1.00 0.00 H new ATOM 0 HG22 THR B 2 -3.130 4.214 -4.834 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.243 4.906 -3.630 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.957 6.962 -1.011 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.406 7.544 0.245 1.00 0.00 C ATOM 1488 C PHE B 3 -3.933 7.614 0.270 1.00 0.00 C ATOM 1489 O PHE B 3 -4.551 7.508 1.325 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.802 8.946 0.377 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.863 9.537 1.754 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -2.044 8.735 2.867 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.712 10.900 1.929 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -2.076 9.286 4.134 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.738 11.457 3.193 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.919 10.650 4.298 1.00 0.00 C ATOM 0 H PHE B 3 -1.503 7.631 -1.633 1.00 0.00 H new ATOM 0 HA PHE B 3 -2.080 6.927 1.082 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.760 8.907 0.061 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -2.319 9.614 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -2.161 7.668 2.744 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.572 11.537 1.068 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -2.224 8.652 4.996 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -1.617 12.523 3.316 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.938 11.082 5.287 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.277 5.543 -0.720 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.913 4.351 -0.155 1.00 0.00 C ATOM 1528 C ASP B 5 -6.756 4.376 1.358 1.00 0.00 C ATOM 1529 O ASP B 5 -7.708 4.146 2.099 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.282 3.072 -0.737 1.00 0.00 C ATOM 1531 CG ASP B 5 -7.109 1.811 -0.494 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -7.516 1.564 0.656 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -7.321 1.035 -1.460 1.00 0.00 O ATOM 0 HA ASP B 5 -7.972 4.351 -0.413 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -6.143 3.203 -1.810 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -5.292 2.936 -0.301 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.549 4.719 1.795 1.00 0.00 N ATOM 1540 CA LEU B 6 -5.226 4.816 3.212 1.00 0.00 C ATOM 1541 C LEU B 6 -6.162 5.769 3.943 1.00 0.00 C ATOM 1542 O LEU B 6 -6.773 5.407 4.952 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.779 5.289 3.392 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.802 4.211 3.841 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.345 3.542 5.089 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.567 3.200 2.727 1.00 0.00 C ATOM 0 H LEU B 6 -4.768 4.937 1.176 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.349 3.822 3.642 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.428 5.706 2.448 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.765 6.098 4.122 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.838 4.664 4.073 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.652 2.768 5.418 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.461 4.284 5.879 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.313 3.092 4.869 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.866 2.439 3.069 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.512 2.729 2.458 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -2.154 3.708 1.856 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.269 6.985 3.434 1.00 0.00 N ATOM 1559 CA LEU B 7 -7.076 8.008 4.075 1.00 0.00 C ATOM 1560 C LEU B 7 -8.543 7.606 4.140 1.00 0.00 C ATOM 1561 O LEU B 7 -9.169 7.700 5.197 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.939 9.343 3.336 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.613 10.076 3.550 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.524 11.289 2.637 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.473 10.502 5.005 1.00 0.00 C ATOM 0 H LEU B 7 -5.806 7.288 2.577 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.708 8.120 5.095 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.068 9.163 2.269 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.752 9.998 3.649 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.798 9.395 3.305 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.575 11.799 2.802 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.588 10.967 1.597 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.346 11.971 2.857 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.525 11.022 5.142 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.294 11.168 5.270 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.500 9.621 5.646 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.861 4.668 3.832 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.974 3.486 4.679 1.00 0.00 C ATOM 1599 C TYR B 9 -10.064 3.870 6.153 1.00 0.00 C ATOM 1600 O TYR B 9 -10.953 3.408 6.870 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.781 2.555 4.442 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.711 1.380 5.389 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -9.571 0.299 5.255 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.773 1.351 6.412 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -9.503 -0.776 6.121 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.696 0.284 7.280 1.00 0.00 C ATOM 1607 CZ TYR B 9 -8.560 -0.778 7.131 1.00 0.00 C ATOM 1608 OH TYR B 9 -8.485 -1.842 7.998 1.00 0.00 O ATOM 0 HA TYR B 9 -10.893 2.963 4.413 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.825 2.180 3.419 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.861 3.133 4.530 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -10.304 0.298 4.462 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -7.091 2.180 6.530 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -10.182 -1.608 6.009 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -6.962 0.280 8.073 1.00 0.00 H new ATOM 0 HH TYR B 9 -7.768 -1.685 8.647 1.00 0.00 H new ATOM 1618 N TYR B 10 -9.138 4.705 6.604 1.00 0.00 N ATOM 1619 CA TYR B 10 -9.133 5.156 7.990 1.00 0.00 C ATOM 1620 C TYR B 10 -10.292 6.099 8.268 1.00 0.00 C ATOM 1621 O TYR B 10 -10.827 6.122 9.376 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.808 5.828 8.341 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.738 4.849 8.760 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -5.905 4.249 7.827 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -6.561 4.526 10.099 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -4.925 3.355 8.217 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -5.586 3.635 10.497 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.771 3.052 9.553 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.797 2.165 9.948 1.00 0.00 O ATOM 0 H TYR B 10 -8.382 5.083 6.033 1.00 0.00 H new ATOM 0 HA TYR B 10 -9.253 4.275 8.621 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.456 6.395 7.479 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -7.973 6.543 9.147 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -6.024 4.484 6.780 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -7.199 4.981 10.843 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -4.284 2.897 7.479 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -5.463 3.396 11.543 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.822 2.064 10.922 1.00 0.00 H new