USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 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 Single : A 14 THR OG1 : rot 180:sc= -0.954 USER MOD Single : A 16 THR OG1 : rot 180:sc= -2.46! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.752! F(o=-1.7,f=-0.75!) USER MOD Single : A 23 MET CE :methyl -117:sc= -0.704 (180deg=-3.46!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.414 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.271 F(o=-1.4,f=-0.27) USER MOD Single : A 65 SER OG : rot -150:sc= -0.557 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.991 F(o=-5.1!,f=-0.99) USER MOD Single : A 83 MET CE :methyl -129:sc= -9.9! (180deg=-14.3!) USER MOD Single : A 84 THR OG1 : rot 28:sc= 0.249! USER MOD Single : A 86 THR OG1 : rot 106:sc= -3.52! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 65:sc= 1.05 USER MOD Single : A 91 THR OG1 : rot 140:sc= -1.76! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -5.356 -5.067 -7.031 1.00 0.00 N ATOM 154 CA GLU A 11 -4.457 -4.844 -8.150 1.00 0.00 C ATOM 155 C GLU A 11 -3.514 -3.676 -7.846 1.00 0.00 C ATOM 156 O GLU A 11 -3.268 -3.357 -6.685 1.00 0.00 O ATOM 157 CB GLU A 11 -5.237 -4.595 -9.441 1.00 0.00 C ATOM 158 CG GLU A 11 -4.696 -5.459 -10.582 1.00 0.00 C ATOM 159 CD GLU A 11 -4.970 -6.943 -10.326 1.00 0.00 C ATOM 160 OE1 GLU A 11 -6.131 -7.254 -9.981 1.00 0.00 O ATOM 161 OE2 GLU A 11 -4.012 -7.732 -10.479 1.00 0.00 O ATOM 0 HA GLU A 11 -3.859 -5.744 -8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.292 -4.816 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.170 -3.542 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.159 -5.157 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.623 -5.297 -10.688 1.00 0.00 H new ATOM 168 N ILE A 12 -3.011 -3.071 -8.913 1.00 0.00 N ATOM 169 CA ILE A 12 -2.100 -1.946 -8.776 1.00 0.00 C ATOM 170 C ILE A 12 -2.909 -0.657 -8.631 1.00 0.00 C ATOM 171 O ILE A 12 -3.650 -0.278 -9.537 1.00 0.00 O ATOM 172 CB ILE A 12 -1.103 -1.919 -9.936 1.00 0.00 C ATOM 173 CG1 ILE A 12 -0.039 -0.843 -9.719 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.825 -1.752 -11.275 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.276 -1.226 -10.403 1.00 0.00 C ATOM 0 H ILE A 12 -3.217 -3.338 -9.876 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.499 -2.050 -7.873 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.587 -2.879 -9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.394 0.109 -10.113 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.130 -0.703 -8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.094 -1.736 -12.083 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.512 -2.585 -11.424 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.384 -0.816 -11.273 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.016 -0.444 -10.233 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.641 -2.166 -9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.109 -1.341 -11.474 1.00 0.00 H new ATOM 187 N ILE A 13 -2.741 -0.018 -7.483 1.00 0.00 N ATOM 188 CA ILE A 13 -3.447 1.224 -7.207 1.00 0.00 C ATOM 189 C ILE A 13 -2.429 2.351 -7.010 1.00 0.00 C ATOM 190 O ILE A 13 -1.308 2.110 -6.565 1.00 0.00 O ATOM 191 CB ILE A 13 -4.402 1.045 -6.025 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.926 -0.391 -5.955 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.539 2.068 -6.080 1.00 0.00 C ATOM 194 CD1 ILE A 13 -4.125 -1.218 -4.948 1.00 0.00 C ATOM 0 H ILE A 13 -2.127 -0.336 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.073 1.503 -8.054 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.846 1.229 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.978 -0.385 -5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.865 -0.853 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.204 1.919 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.124 3.075 -6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.100 1.939 -7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.518 -2.234 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.078 -1.243 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.208 -0.767 -3.959 1.00 0.00 H new ATOM 206 N THR A 14 -2.858 3.557 -7.352 1.00 0.00 N ATOM 207 CA THR A 14 -2.000 4.721 -7.219 1.00 0.00 C ATOM 208 C THR A 14 -2.710 5.819 -6.424 1.00 0.00 C ATOM 209 O THR A 14 -3.880 6.110 -6.669 1.00 0.00 O ATOM 210 CB THR A 14 -1.580 5.163 -8.623 1.00 0.00 C ATOM 211 OG1 THR A 14 -0.662 6.227 -8.392 1.00 0.00 O ATOM 212 CG2 THR A 14 -2.725 5.817 -9.397 1.00 0.00 C ATOM 0 H THR A 14 -3.789 3.753 -7.721 1.00 0.00 H new ATOM 0 HA THR A 14 -1.098 4.485 -6.654 1.00 0.00 H new ATOM 0 HB THR A 14 -1.212 4.302 -9.180 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.338 6.572 -9.250 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.374 6.112 -10.386 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.546 5.108 -9.500 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.072 6.698 -8.858 1.00 0.00 H new ATOM 220 N VAL A 15 -1.971 6.399 -5.489 1.00 0.00 N ATOM 221 CA VAL A 15 -2.516 7.458 -4.656 1.00 0.00 C ATOM 222 C VAL A 15 -1.643 8.708 -4.794 1.00 0.00 C ATOM 223 O VAL A 15 -0.469 8.613 -5.144 1.00 0.00 O ATOM 224 CB VAL A 15 -2.644 6.975 -3.210 1.00 0.00 C ATOM 225 CG1 VAL A 15 -1.268 6.707 -2.599 1.00 0.00 C ATOM 226 CG2 VAL A 15 -3.435 7.973 -2.366 1.00 0.00 C ATOM 0 H VAL A 15 -1.001 6.156 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.521 7.724 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.196 6.035 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.387 6.365 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.755 5.940 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.680 7.625 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.511 7.605 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.925 8.936 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.435 8.091 -2.784 1.00 0.00 H new ATOM 236 N THR A 16 -2.251 9.850 -4.510 1.00 0.00 N ATOM 237 CA THR A 16 -1.546 11.116 -4.597 1.00 0.00 C ATOM 238 C THR A 16 -1.876 11.995 -3.389 1.00 0.00 C ATOM 239 O THR A 16 -3.020 12.036 -2.941 1.00 0.00 O ATOM 240 CB THR A 16 -1.902 11.765 -5.936 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.753 10.713 -6.884 1.00 0.00 O ATOM 242 CG2 THR A 16 -0.873 12.808 -6.374 1.00 0.00 C ATOM 0 H THR A 16 -3.226 9.924 -4.219 1.00 0.00 H new ATOM 0 HA THR A 16 -0.466 10.970 -4.567 1.00 0.00 H new ATOM 0 HB THR A 16 -2.884 12.232 -5.861 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.966 11.047 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.174 13.237 -7.330 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.813 13.597 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.103 12.334 -6.480 1.00 0.00 H new ATOM 250 N LEU A 17 -0.851 12.676 -2.896 1.00 0.00 N ATOM 251 CA LEU A 17 -1.017 13.551 -1.748 1.00 0.00 C ATOM 252 C LEU A 17 -2.075 14.608 -2.068 1.00 0.00 C ATOM 253 O LEU A 17 -1.747 15.701 -2.529 1.00 0.00 O ATOM 254 CB LEU A 17 0.329 14.138 -1.322 1.00 0.00 C ATOM 255 CG LEU A 17 1.130 13.315 -0.310 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.429 14.134 0.948 1.00 0.00 C ATOM 257 CD2 LEU A 17 0.415 12.003 0.018 1.00 0.00 C ATOM 0 H LEU A 17 0.097 12.639 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.378 12.987 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.941 14.276 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.154 15.127 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 17 2.088 13.056 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.999 13.526 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.009 15.017 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.492 14.443 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.005 11.437 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.566 12.219 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.295 11.416 -0.893 1.00 0.00 H new ATOM 269 N LYS A 18 -3.324 14.247 -1.810 1.00 0.00 N ATOM 270 CA LYS A 18 -4.432 15.151 -2.065 1.00 0.00 C ATOM 271 C LYS A 18 -4.454 16.239 -0.989 1.00 0.00 C ATOM 272 O LYS A 18 -4.335 17.425 -1.298 1.00 0.00 O ATOM 273 CB LYS A 18 -5.743 14.372 -2.178 1.00 0.00 C ATOM 274 CG LYS A 18 -6.893 15.292 -2.598 1.00 0.00 C ATOM 275 CD LYS A 18 -7.317 15.016 -4.042 1.00 0.00 C ATOM 276 CE LYS A 18 -8.780 14.572 -4.107 1.00 0.00 C ATOM 277 NZ LYS A 18 -9.469 15.219 -5.246 1.00 0.00 N ATOM 0 H LYS A 18 -3.593 13.341 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.302 15.653 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.631 13.568 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.977 13.905 -1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.743 15.145 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.586 16.333 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.178 15.914 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.679 14.243 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.833 13.488 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.285 14.828 -3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.460 14.906 -5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.435 16.252 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.996 14.954 -6.134 1.00 0.00 H new ATOM 291 N LYS A 19 -4.608 15.799 0.251 1.00 0.00 N ATOM 292 CA LYS A 19 -4.649 16.719 1.374 1.00 0.00 C ATOM 293 C LYS A 19 -3.222 17.125 1.745 1.00 0.00 C ATOM 294 O LYS A 19 -3.018 17.992 2.593 1.00 0.00 O ATOM 295 CB LYS A 19 -5.436 16.113 2.536 1.00 0.00 C ATOM 296 CG LYS A 19 -6.317 17.167 3.210 1.00 0.00 C ATOM 297 CD LYS A 19 -7.637 17.343 2.455 1.00 0.00 C ATOM 298 CE LYS A 19 -7.958 18.825 2.249 1.00 0.00 C ATOM 299 NZ LYS A 19 -9.044 19.252 3.157 1.00 0.00 N ATOM 0 H LYS A 19 -4.706 14.815 0.503 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.181 17.630 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.056 15.294 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.746 15.690 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.519 16.872 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.787 18.118 3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.577 16.843 1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.444 16.866 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.066 19.425 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.252 18.999 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.249 20.260 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.899 18.692 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.750 19.105 4.144 1.00 0.00 H new ATOM 313 N GLN A 20 -2.266 16.481 1.090 1.00 0.00 N ATOM 314 CA GLN A 20 -0.864 16.764 1.341 1.00 0.00 C ATOM 315 C GLN A 20 -0.560 16.658 2.836 1.00 0.00 C ATOM 316 O GLN A 20 0.177 17.477 3.383 1.00 0.00 O ATOM 317 CB GLN A 20 -0.478 18.143 0.800 1.00 0.00 C ATOM 318 CG GLN A 20 0.288 18.020 -0.519 1.00 0.00 C ATOM 319 CD GLN A 20 0.946 19.348 -0.897 1.00 0.00 C ATOM 320 OE1 GLN A 20 0.693 20.386 -0.308 1.00 0.00 O ATOM 321 NE2 GLN A 20 1.801 19.259 -1.910 1.00 0.00 N ATOM 0 H GLN A 20 -2.436 15.764 0.385 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.264 16.022 0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.376 18.743 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.135 18.667 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.049 17.245 -0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.393 17.709 -1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.967 18.359 -2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.291 20.091 -2.238 1.00 0.00 H new ATOM 330 N ASN A 21 -1.141 15.640 3.454 1.00 0.00 N ATOM 331 CA ASN A 21 -0.942 15.416 4.877 1.00 0.00 C ATOM 332 C ASN A 21 0.089 14.303 5.073 1.00 0.00 C ATOM 333 O ASN A 21 -0.183 13.312 5.753 1.00 0.00 O ATOM 334 CB ASN A 21 -2.244 14.981 5.553 1.00 0.00 C ATOM 335 CG ASN A 21 -2.084 14.943 7.075 1.00 0.00 C ATOM 336 OD1 ASN A 21 -2.676 15.951 7.706 1.00 0.00 O flip ATOM 337 ND2 ASN A 21 -1.463 14.056 7.638 1.00 0.00 N flip ATOM 0 H ASN A 21 -1.749 14.961 2.996 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.600 16.350 5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.045 15.670 5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.536 13.996 5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.032 13.310 7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.375 14.061 8.654 1.00 0.00 H new ATOM 344 N GLY A 22 1.249 14.499 4.464 1.00 0.00 N ATOM 345 CA GLY A 22 2.321 13.523 4.563 1.00 0.00 C ATOM 346 C GLY A 22 1.953 12.228 3.835 1.00 0.00 C ATOM 347 O GLY A 22 2.642 11.822 2.901 1.00 0.00 O ATOM 0 H GLY A 22 1.470 15.320 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.235 13.937 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.527 13.309 5.612 1.00 0.00 H new ATOM 351 N MET A 23 0.869 11.619 4.291 1.00 0.00 N ATOM 352 CA MET A 23 0.403 10.378 3.694 1.00 0.00 C ATOM 353 C MET A 23 -0.658 9.712 4.574 1.00 0.00 C ATOM 354 O MET A 23 -1.834 9.681 4.216 1.00 0.00 O ATOM 355 CB MET A 23 1.584 9.425 3.508 1.00 0.00 C ATOM 356 CG MET A 23 1.777 9.073 2.030 1.00 0.00 C ATOM 357 SD MET A 23 3.408 9.561 1.495 1.00 0.00 S ATOM 358 CE MET A 23 4.309 8.057 1.838 1.00 0.00 C ATOM 0 H MET A 23 0.300 11.961 5.066 1.00 0.00 H new ATOM 0 HA MET A 23 -0.045 10.607 2.727 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.492 9.885 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.416 8.515 4.083 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.642 8.002 1.882 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.022 9.576 1.426 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.070 8.253 2.594 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.620 7.296 2.205 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.787 7.703 0.925 1.00 0.00 H new ATOM 368 N GLY A 24 -0.204 9.197 5.706 1.00 0.00 N ATOM 369 CA GLY A 24 -1.098 8.534 6.639 1.00 0.00 C ATOM 370 C GLY A 24 -1.501 7.151 6.122 1.00 0.00 C ATOM 371 O GLY A 24 -2.630 6.958 5.669 1.00 0.00 O ATOM 0 H GLY A 24 0.773 9.225 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.610 8.436 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.989 9.144 6.791 1.00 0.00 H new ATOM 375 N LEU A 25 -0.560 6.224 6.207 1.00 0.00 N ATOM 376 CA LEU A 25 -0.803 4.865 5.755 1.00 0.00 C ATOM 377 C LEU A 25 -0.146 3.883 6.726 1.00 0.00 C ATOM 378 O LEU A 25 0.746 4.257 7.484 1.00 0.00 O ATOM 379 CB LEU A 25 -0.345 4.693 4.303 1.00 0.00 C ATOM 380 CG LEU A 25 -1.387 5.012 3.230 1.00 0.00 C ATOM 381 CD1 LEU A 25 -0.762 4.985 1.834 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.589 4.070 3.336 1.00 0.00 C ATOM 0 H LEU A 25 0.374 6.387 6.583 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.871 4.649 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.524 5.331 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.015 3.663 4.166 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.754 6.024 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.524 5.215 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.035 5.726 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.351 3.995 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.315 4.318 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.257 3.040 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.052 4.180 4.317 1.00 0.00 H new ATOM 394 N SER A 26 -0.615 2.645 6.671 1.00 0.00 N ATOM 395 CA SER A 26 -0.084 1.605 7.537 1.00 0.00 C ATOM 396 C SER A 26 -0.037 0.272 6.788 1.00 0.00 C ATOM 397 O SER A 26 -1.077 -0.314 6.493 1.00 0.00 O ATOM 398 CB SER A 26 -0.922 1.470 8.811 1.00 0.00 C ATOM 399 OG SER A 26 -0.120 1.152 9.945 1.00 0.00 O ATOM 0 H SER A 26 -1.356 2.339 6.041 1.00 0.00 H new ATOM 0 HA SER A 26 0.928 1.885 7.828 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.456 2.402 8.994 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.674 0.694 8.670 1.00 0.00 H new ATOM 0 HG SER A 26 -0.690 1.076 10.738 1.00 0.00 H new ATOM 405 N ILE A 27 1.179 -0.166 6.501 1.00 0.00 N ATOM 406 CA ILE A 27 1.375 -1.420 5.792 1.00 0.00 C ATOM 407 C ILE A 27 2.405 -2.268 6.540 1.00 0.00 C ATOM 408 O ILE A 27 3.083 -1.777 7.440 1.00 0.00 O ATOM 409 CB ILE A 27 1.741 -1.156 4.329 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.257 -1.189 4.129 1.00 0.00 C ATOM 411 CG2 ILE A 27 1.125 0.157 3.838 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.659 -0.432 2.861 1.00 0.00 C ATOM 0 H ILE A 27 2.039 0.324 6.746 1.00 0.00 H new ATOM 0 HA ILE A 27 0.448 -1.993 5.767 1.00 0.00 H new ATOM 0 HB ILE A 27 1.319 -1.956 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.751 -0.746 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.596 -2.223 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.400 0.321 2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.040 0.104 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.496 0.983 4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.742 -0.471 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.182 -0.893 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.340 0.607 2.941 1.00 0.00 H new ATOM 424 N VAL A 28 2.490 -3.529 6.139 1.00 0.00 N ATOM 425 CA VAL A 28 3.426 -4.450 6.760 1.00 0.00 C ATOM 426 C VAL A 28 3.843 -5.510 5.737 1.00 0.00 C ATOM 427 O VAL A 28 3.029 -5.954 4.929 1.00 0.00 O ATOM 428 CB VAL A 28 2.807 -5.050 8.024 1.00 0.00 C ATOM 429 CG1 VAL A 28 1.315 -5.320 7.831 1.00 0.00 C ATOM 430 CG2 VAL A 28 3.546 -6.322 8.445 1.00 0.00 C ATOM 0 H VAL A 28 1.926 -3.934 5.392 1.00 0.00 H new ATOM 0 HA VAL A 28 4.329 -3.926 7.073 1.00 0.00 H new ATOM 0 HB VAL A 28 2.912 -4.320 8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.901 -5.746 8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.803 -4.386 7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.176 -6.021 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.086 -6.729 9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.488 -7.059 7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.591 -6.086 8.646 1.00 0.00 H new ATOM 440 N ALA A 29 5.112 -5.886 5.809 1.00 0.00 N ATOM 441 CA ALA A 29 5.647 -6.885 4.900 1.00 0.00 C ATOM 442 C ALA A 29 6.427 -7.929 5.702 1.00 0.00 C ATOM 443 O ALA A 29 7.284 -7.584 6.513 1.00 0.00 O ATOM 444 CB ALA A 29 6.512 -6.200 3.839 1.00 0.00 C ATOM 0 H ALA A 29 5.784 -5.517 6.482 1.00 0.00 H new ATOM 0 HA ALA A 29 4.841 -7.402 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.913 -6.950 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.905 -5.488 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.334 -5.674 4.324 1.00 0.00 H new ATOM 450 N ALA A 30 6.101 -9.189 5.445 1.00 0.00 N ATOM 451 CA ALA A 30 6.758 -10.287 6.132 1.00 0.00 C ATOM 452 C ALA A 30 7.642 -11.048 5.141 1.00 0.00 C ATOM 453 O ALA A 30 7.391 -11.025 3.937 1.00 0.00 O ATOM 454 CB ALA A 30 5.707 -11.186 6.784 1.00 0.00 C ATOM 0 H ALA A 30 5.390 -9.472 4.770 1.00 0.00 H new ATOM 0 HA ALA A 30 7.402 -9.910 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.202 -12.009 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.126 -10.606 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.043 -11.584 6.017 1.00 0.00 H new ATOM 576 N GLY A 39 5.219 -11.679 2.036 1.00 0.00 N ATOM 577 CA GLY A 39 4.215 -10.877 1.360 1.00 0.00 C ATOM 578 C GLY A 39 3.926 -9.590 2.136 1.00 0.00 C ATOM 579 O GLY A 39 4.180 -9.515 3.337 1.00 0.00 O ATOM 0 HA2 GLY A 39 4.558 -10.631 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.297 -11.454 1.251 1.00 0.00 H new ATOM 583 N ILE A 40 3.399 -8.609 1.418 1.00 0.00 N ATOM 584 CA ILE A 40 3.074 -7.329 2.024 1.00 0.00 C ATOM 585 C ILE A 40 1.567 -7.258 2.276 1.00 0.00 C ATOM 586 O ILE A 40 0.804 -8.058 1.732 1.00 0.00 O ATOM 587 CB ILE A 40 3.609 -6.180 1.169 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.860 -6.606 0.400 1.00 0.00 C ATOM 589 CG2 ILE A 40 3.856 -4.934 2.021 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.292 -5.521 -0.590 1.00 0.00 C ATOM 0 H ILE A 40 3.189 -8.675 0.422 1.00 0.00 H new ATOM 0 HA ILE A 40 3.565 -7.230 2.992 1.00 0.00 H new ATOM 0 HB ILE A 40 2.851 -5.920 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.671 -6.808 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.663 -7.535 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.236 -4.131 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.921 -4.619 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.587 -5.163 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.184 -5.850 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.489 -5.339 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.512 -4.601 -0.048 1.00 0.00 H new ATOM 602 N TYR A 41 1.181 -6.295 3.099 1.00 0.00 N ATOM 603 CA TYR A 41 -0.222 -6.108 3.430 1.00 0.00 C ATOM 604 C TYR A 41 -0.486 -4.684 3.918 1.00 0.00 C ATOM 605 O TYR A 41 0.448 -3.907 4.115 1.00 0.00 O ATOM 606 CB TYR A 41 -0.521 -7.088 4.566 1.00 0.00 C ATOM 607 CG TYR A 41 -0.099 -8.529 4.273 1.00 0.00 C ATOM 608 CD1 TYR A 41 -0.863 -9.317 3.434 1.00 0.00 C ATOM 609 CD2 TYR A 41 1.047 -9.042 4.846 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.465 -10.672 3.159 1.00 0.00 C ATOM 611 CE2 TYR A 41 1.445 -10.399 4.570 1.00 0.00 C ATOM 612 CZ TYR A 41 0.669 -11.147 3.741 1.00 0.00 C ATOM 613 OH TYR A 41 1.045 -12.428 3.479 1.00 0.00 O ATOM 0 H TYR A 41 1.816 -5.635 3.547 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.849 -6.279 2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.013 -6.748 5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.590 -7.069 4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.759 -8.916 2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.645 -8.426 5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.054 -11.298 2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.340 -10.813 5.012 1.00 0.00 H new ATOM 0 HH TYR A 41 1.874 -12.631 3.961 1.00 0.00 H new ATOM 623 N VAL A 42 -1.763 -4.382 4.101 1.00 0.00 N ATOM 624 CA VAL A 42 -2.162 -3.063 4.564 1.00 0.00 C ATOM 625 C VAL A 42 -2.745 -3.176 5.974 1.00 0.00 C ATOM 626 O VAL A 42 -3.755 -3.846 6.180 1.00 0.00 O ATOM 627 CB VAL A 42 -3.133 -2.430 3.565 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.764 -1.160 4.142 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.440 -2.141 2.232 1.00 0.00 C ATOM 0 H VAL A 42 -2.535 -5.028 3.937 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.298 -2.401 4.622 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.933 -3.146 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.450 -0.730 3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.311 -1.407 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.981 -0.438 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.153 -1.692 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.610 -1.453 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.062 -3.072 1.809 1.00 0.00 H new ATOM 639 N LYS A 43 -2.080 -2.511 6.909 1.00 0.00 N ATOM 640 CA LYS A 43 -2.520 -2.529 8.294 1.00 0.00 C ATOM 641 C LYS A 43 -3.750 -1.634 8.445 1.00 0.00 C ATOM 642 O LYS A 43 -4.728 -2.021 9.082 1.00 0.00 O ATOM 643 CB LYS A 43 -1.365 -2.153 9.224 1.00 0.00 C ATOM 644 CG LYS A 43 -1.840 -2.067 10.677 1.00 0.00 C ATOM 645 CD LYS A 43 -2.293 -3.436 11.188 1.00 0.00 C ATOM 646 CE LYS A 43 -1.519 -3.836 12.445 1.00 0.00 C ATOM 647 NZ LYS A 43 -2.430 -4.428 13.449 1.00 0.00 N ATOM 0 H LYS A 43 -1.241 -1.957 6.734 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.822 -3.534 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.570 -2.893 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.943 -1.196 8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.033 -1.689 11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.663 -1.356 10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.361 -3.411 11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.144 -4.186 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.739 -4.552 12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.022 -2.962 12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.888 -4.694 14.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.159 -3.733 13.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.884 -5.274 13.049 1.00 0.00 H new ATOM 661 N SER A 44 -3.661 -0.454 7.849 1.00 0.00 N ATOM 662 CA SER A 44 -4.756 0.499 7.911 1.00 0.00 C ATOM 663 C SER A 44 -4.242 1.907 7.601 1.00 0.00 C ATOM 664 O SER A 44 -3.036 2.118 7.478 1.00 0.00 O ATOM 665 CB SER A 44 -5.435 0.472 9.282 1.00 0.00 C ATOM 666 OG SER A 44 -4.492 0.335 10.342 1.00 0.00 O ATOM 0 H SER A 44 -2.848 -0.136 7.321 1.00 0.00 H new ATOM 0 HA SER A 44 -5.497 0.216 7.164 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.007 1.389 9.422 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.145 -0.354 9.319 1.00 0.00 H new ATOM 0 HG SER A 44 -4.964 0.323 11.201 1.00 0.00 H new ATOM 672 N VAL A 45 -5.182 2.833 7.481 1.00 0.00 N ATOM 673 CA VAL A 45 -4.839 4.214 7.188 1.00 0.00 C ATOM 674 C VAL A 45 -4.772 5.007 8.495 1.00 0.00 C ATOM 675 O VAL A 45 -5.546 4.756 9.419 1.00 0.00 O ATOM 676 CB VAL A 45 -5.837 4.798 6.186 1.00 0.00 C ATOM 677 CG1 VAL A 45 -6.012 3.870 4.982 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.182 5.090 6.855 1.00 0.00 C ATOM 0 H VAL A 45 -6.181 2.654 7.581 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.856 4.273 6.721 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.433 5.743 5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.726 4.309 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.052 3.737 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.382 2.902 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.872 5.504 6.120 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.595 4.166 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.038 5.808 7.662 1.00 0.00 H new ATOM 688 N VAL A 46 -3.840 5.947 8.532 1.00 0.00 N ATOM 689 CA VAL A 46 -3.662 6.779 9.709 1.00 0.00 C ATOM 690 C VAL A 46 -5.014 7.355 10.132 1.00 0.00 C ATOM 691 O VAL A 46 -5.250 7.586 11.317 1.00 0.00 O ATOM 692 CB VAL A 46 -2.612 7.857 9.434 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.844 9.087 10.315 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.195 7.308 9.624 1.00 0.00 C ATOM 0 H VAL A 46 -3.199 6.151 7.765 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.288 6.185 10.543 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.715 8.164 8.393 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.084 9.838 10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.831 9.501 10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.782 8.800 11.365 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.469 8.096 9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.075 6.958 10.649 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.031 6.479 8.936 1.00 0.00 H new ATOM 704 N LYS A 47 -5.866 7.568 9.141 1.00 0.00 N ATOM 705 CA LYS A 47 -7.188 8.112 9.395 1.00 0.00 C ATOM 706 C LYS A 47 -7.118 9.641 9.385 1.00 0.00 C ATOM 707 O LYS A 47 -8.087 10.313 9.735 1.00 0.00 O ATOM 708 CB LYS A 47 -7.767 7.532 10.687 1.00 0.00 C ATOM 709 CG LYS A 47 -9.293 7.646 10.704 1.00 0.00 C ATOM 710 CD LYS A 47 -9.933 6.552 9.848 1.00 0.00 C ATOM 711 CE LYS A 47 -11.426 6.821 9.640 1.00 0.00 C ATOM 712 NZ LYS A 47 -11.893 6.207 8.377 1.00 0.00 N ATOM 0 H LYS A 47 -5.666 7.373 8.160 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.878 7.819 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.476 6.486 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.350 8.059 11.545 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.656 7.570 11.729 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.592 8.626 10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.431 6.501 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.798 5.583 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.994 6.419 10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.608 7.895 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.907 6.399 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.363 6.610 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.737 5.179 8.412 1.00 0.00 H new ATOM 726 N GLY A 48 -5.962 10.145 8.978 1.00 0.00 N ATOM 727 CA GLY A 48 -5.752 11.581 8.918 1.00 0.00 C ATOM 728 C GLY A 48 -4.630 11.931 7.937 1.00 0.00 C ATOM 729 O GLY A 48 -3.838 12.837 8.192 1.00 0.00 O ATOM 0 H GLY A 48 -5.161 9.584 8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.674 12.075 8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.503 11.957 9.910 1.00 0.00 H new ATOM 733 N GLY A 49 -4.599 11.192 6.837 1.00 0.00 N ATOM 734 CA GLY A 49 -3.587 11.412 5.817 1.00 0.00 C ATOM 735 C GLY A 49 -4.229 11.608 4.442 1.00 0.00 C ATOM 736 O GLY A 49 -5.445 11.495 4.299 1.00 0.00 O ATOM 0 H GLY A 49 -5.258 10.441 6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.992 12.289 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.905 10.562 5.786 1.00 0.00 H new ATOM 740 N ALA A 50 -3.382 11.896 3.465 1.00 0.00 N ATOM 741 CA ALA A 50 -3.851 12.107 2.106 1.00 0.00 C ATOM 742 C ALA A 50 -4.438 10.803 1.565 1.00 0.00 C ATOM 743 O ALA A 50 -5.652 10.682 1.410 1.00 0.00 O ATOM 744 CB ALA A 50 -2.700 12.631 1.244 1.00 0.00 C ATOM 0 H ALA A 50 -2.374 11.988 3.587 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.641 12.857 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.052 12.789 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.339 13.574 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.889 11.903 1.239 1.00 0.00 H new ATOM 750 N ALA A 51 -3.548 9.860 1.292 1.00 0.00 N ATOM 751 CA ALA A 51 -3.961 8.568 0.772 1.00 0.00 C ATOM 752 C ALA A 51 -4.973 7.936 1.730 1.00 0.00 C ATOM 753 O ALA A 51 -5.896 7.248 1.299 1.00 0.00 O ATOM 754 CB ALA A 51 -2.731 7.685 0.557 1.00 0.00 C ATOM 0 H ALA A 51 -2.542 9.965 1.421 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.451 8.684 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.042 6.716 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.059 8.164 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.213 7.545 1.506 1.00 0.00 H new ATOM 760 N ASP A 52 -4.765 8.194 3.013 1.00 0.00 N ATOM 761 CA ASP A 52 -5.647 7.661 4.037 1.00 0.00 C ATOM 762 C ASP A 52 -7.096 8.003 3.685 1.00 0.00 C ATOM 763 O ASP A 52 -7.944 7.115 3.606 1.00 0.00 O ATOM 764 CB ASP A 52 -5.336 8.271 5.404 1.00 0.00 C ATOM 765 CG ASP A 52 -6.562 8.605 6.258 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.365 7.676 6.487 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.669 9.784 6.659 1.00 0.00 O ATOM 0 H ASP A 52 -3.998 8.766 3.367 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.498 6.582 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.703 7.578 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.757 9.182 5.255 1.00 0.00 H new ATOM 772 N VAL A 53 -7.333 9.289 3.483 1.00 0.00 N ATOM 773 CA VAL A 53 -8.666 9.759 3.141 1.00 0.00 C ATOM 774 C VAL A 53 -8.911 9.544 1.646 1.00 0.00 C ATOM 775 O VAL A 53 -9.701 8.685 1.259 1.00 0.00 O ATOM 776 CB VAL A 53 -8.833 11.218 3.570 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.228 11.736 3.222 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.541 11.387 5.063 1.00 0.00 C ATOM 0 H VAL A 53 -6.626 10.021 3.549 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.422 9.187 3.680 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.108 11.815 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.320 12.775 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.383 11.669 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.978 11.134 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.667 12.433 5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.231 10.772 5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.517 11.077 5.271 1.00 0.00 H new ATOM 788 N ASP A 54 -8.216 10.338 0.846 1.00 0.00 N ATOM 789 CA ASP A 54 -8.345 10.247 -0.599 1.00 0.00 C ATOM 790 C ASP A 54 -8.291 8.777 -1.018 1.00 0.00 C ATOM 791 O ASP A 54 -9.246 8.256 -1.595 1.00 0.00 O ATOM 792 CB ASP A 54 -7.204 10.982 -1.304 1.00 0.00 C ATOM 793 CG ASP A 54 -7.145 10.781 -2.820 1.00 0.00 C ATOM 794 OD1 ASP A 54 -7.880 11.514 -3.518 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.367 9.902 -3.246 1.00 0.00 O ATOM 0 H ASP A 54 -7.560 11.049 1.171 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.294 10.703 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.296 12.048 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.259 10.654 -0.872 1.00 0.00 H new ATOM 800 N GLY A 55 -7.166 8.148 -0.713 1.00 0.00 N ATOM 801 CA GLY A 55 -6.975 6.748 -1.051 1.00 0.00 C ATOM 802 C GLY A 55 -8.098 5.885 -0.472 1.00 0.00 C ATOM 803 O GLY A 55 -8.779 5.173 -1.207 1.00 0.00 O ATOM 0 H GLY A 55 -6.377 8.583 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.945 6.633 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.014 6.406 -0.667 1.00 0.00 H new ATOM 807 N ARG A 56 -8.256 5.979 0.840 1.00 0.00 N ATOM 808 CA ARG A 56 -9.284 5.217 1.526 1.00 0.00 C ATOM 809 C ARG A 56 -9.127 3.724 1.227 1.00 0.00 C ATOM 810 O ARG A 56 -10.109 3.036 0.955 1.00 0.00 O ATOM 811 CB ARG A 56 -10.682 5.671 1.101 1.00 0.00 C ATOM 812 CG ARG A 56 -11.745 5.161 2.078 1.00 0.00 C ATOM 813 CD ARG A 56 -11.903 6.116 3.263 1.00 0.00 C ATOM 814 NE ARG A 56 -13.338 6.375 3.515 1.00 0.00 N ATOM 815 CZ ARG A 56 -13.796 7.327 4.340 1.00 0.00 C ATOM 816 NH1 ARG A 56 -12.935 8.116 4.996 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.115 7.491 4.508 1.00 0.00 N ATOM 0 H ARG A 56 -7.689 6.572 1.446 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.167 5.391 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.717 6.760 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.898 5.303 0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.699 5.056 1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.467 4.171 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.441 5.686 4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.386 7.053 3.057 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.021 5.793 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.931 7.992 4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.284 8.840 5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.771 6.891 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.463 8.216 5.136 1.00 0.00 H new ATOM 831 N LEU A 57 -7.884 3.269 1.286 1.00 0.00 N ATOM 832 CA LEU A 57 -7.586 1.871 1.023 1.00 0.00 C ATOM 833 C LEU A 57 -8.118 1.016 2.177 1.00 0.00 C ATOM 834 O LEU A 57 -8.256 1.499 3.299 1.00 0.00 O ATOM 835 CB LEU A 57 -6.091 1.683 0.757 1.00 0.00 C ATOM 836 CG LEU A 57 -5.557 2.309 -0.532 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.056 2.585 -0.426 1.00 0.00 C ATOM 838 CD2 LEU A 57 -5.895 1.439 -1.745 1.00 0.00 C ATOM 0 H LEU A 57 -7.072 3.843 1.512 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.092 1.537 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.537 2.101 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.877 0.614 0.734 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.052 3.269 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.701 3.030 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.870 3.272 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.526 1.650 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.504 1.907 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.445 0.454 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.977 1.336 -1.829 1.00 0.00 H new ATOM 850 N ALA A 58 -8.400 -0.238 1.860 1.00 0.00 N ATOM 851 CA ALA A 58 -8.913 -1.166 2.854 1.00 0.00 C ATOM 852 C ALA A 58 -7.761 -1.648 3.737 1.00 0.00 C ATOM 853 O ALA A 58 -6.615 -1.703 3.293 1.00 0.00 O ATOM 854 CB ALA A 58 -9.634 -2.319 2.156 1.00 0.00 C ATOM 0 H ALA A 58 -8.283 -0.634 0.928 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.640 -0.672 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.018 -3.014 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.462 -1.926 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.937 -2.840 1.500 1.00 0.00 H new ATOM 860 N ALA A 59 -8.104 -1.982 4.974 1.00 0.00 N ATOM 861 CA ALA A 59 -7.112 -2.457 5.922 1.00 0.00 C ATOM 862 C ALA A 59 -7.164 -3.985 5.987 1.00 0.00 C ATOM 863 O ALA A 59 -8.164 -4.559 6.417 1.00 0.00 O ATOM 864 CB ALA A 59 -7.359 -1.809 7.287 1.00 0.00 C ATOM 0 H ALA A 59 -9.055 -1.933 5.340 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.110 -2.174 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.615 -2.165 7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.283 -0.726 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.355 -2.074 7.641 1.00 0.00 H new ATOM 870 N GLY A 60 -6.075 -4.602 5.551 1.00 0.00 N ATOM 871 CA GLY A 60 -5.985 -6.052 5.553 1.00 0.00 C ATOM 872 C GLY A 60 -5.694 -6.584 4.147 1.00 0.00 C ATOM 873 O GLY A 60 -5.748 -7.791 3.914 1.00 0.00 O ATOM 0 H GLY A 60 -5.248 -4.124 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.198 -6.370 6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.918 -6.478 5.921 1.00 0.00 H new ATOM 877 N ASP A 61 -5.393 -5.658 3.248 1.00 0.00 N ATOM 878 CA ASP A 61 -5.096 -6.019 1.874 1.00 0.00 C ATOM 879 C ASP A 61 -3.696 -6.635 1.804 1.00 0.00 C ATOM 880 O ASP A 61 -2.936 -6.567 2.767 1.00 0.00 O ATOM 881 CB ASP A 61 -5.116 -4.790 0.963 1.00 0.00 C ATOM 882 CG ASP A 61 -6.240 -3.793 1.250 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.018 -4.069 2.189 1.00 0.00 O ATOM 884 OD2 ASP A 61 -6.297 -2.776 0.523 1.00 0.00 O ATOM 0 H ASP A 61 -5.349 -4.658 3.446 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.855 -6.727 1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.160 -4.274 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.202 -5.124 -0.071 1.00 0.00 H new ATOM 889 N GLN A 62 -3.399 -7.224 0.654 1.00 0.00 N ATOM 890 CA GLN A 62 -2.105 -7.850 0.447 1.00 0.00 C ATOM 891 C GLN A 62 -1.317 -7.098 -0.628 1.00 0.00 C ATOM 892 O GLN A 62 -1.673 -7.134 -1.804 1.00 0.00 O ATOM 893 CB GLN A 62 -2.263 -9.326 0.077 1.00 0.00 C ATOM 894 CG GLN A 62 -0.901 -9.984 -0.151 1.00 0.00 C ATOM 895 CD GLN A 62 -0.999 -11.099 -1.195 1.00 0.00 C ATOM 896 OE1 GLN A 62 -0.936 -10.672 -2.453 1.00 0.00 O flip ATOM 897 NE2 GLN A 62 -1.126 -12.271 -0.879 1.00 0.00 N flip ATOM 0 H GLN A 62 -4.033 -7.280 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.546 -7.801 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.795 -9.849 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.869 -9.416 -0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.182 -9.234 -0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.528 -10.392 0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.168 -12.532 0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.190 -12.990 -1.600 1.00 0.00 H new ATOM 906 N LEU A 63 -0.260 -6.434 -0.184 1.00 0.00 N ATOM 907 CA LEU A 63 0.582 -5.673 -1.093 1.00 0.00 C ATOM 908 C LEU A 63 1.724 -6.564 -1.587 1.00 0.00 C ATOM 909 O LEU A 63 2.060 -7.560 -0.949 1.00 0.00 O ATOM 910 CB LEU A 63 1.053 -4.379 -0.430 1.00 0.00 C ATOM 911 CG LEU A 63 2.164 -3.617 -1.159 1.00 0.00 C ATOM 912 CD1 LEU A 63 1.577 -2.619 -2.159 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.110 -2.943 -0.163 1.00 0.00 C ATOM 0 H LEU A 63 0.033 -6.407 0.793 1.00 0.00 H new ATOM 0 HA LEU A 63 0.015 -5.364 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.195 -3.716 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.401 -4.615 0.576 1.00 0.00 H new ATOM 0 HG LEU A 63 2.755 -4.334 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.386 -2.091 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.977 -3.153 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.949 -1.901 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.890 -2.409 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.549 -2.239 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.566 -3.700 0.475 1.00 0.00 H new ATOM 925 N LEU A 64 2.289 -6.171 -2.719 1.00 0.00 N ATOM 926 CA LEU A 64 3.387 -6.921 -3.305 1.00 0.00 C ATOM 927 C LEU A 64 4.314 -5.959 -4.053 1.00 0.00 C ATOM 928 O LEU A 64 5.518 -6.196 -4.145 1.00 0.00 O ATOM 929 CB LEU A 64 2.854 -8.061 -4.176 1.00 0.00 C ATOM 930 CG LEU A 64 3.297 -9.470 -3.781 1.00 0.00 C ATOM 931 CD1 LEU A 64 3.927 -9.476 -2.386 1.00 0.00 C ATOM 932 CD2 LEU A 64 2.136 -10.460 -3.889 1.00 0.00 C ATOM 0 H LEU A 64 2.008 -5.344 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 64 3.981 -7.397 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.765 -8.026 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.163 -7.880 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 64 4.065 -9.796 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.233 -10.490 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.798 -8.821 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.199 -9.121 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.478 -11.455 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.329 -10.149 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.772 -10.483 -4.916 1.00 0.00 H new ATOM 944 N SER A 65 3.720 -4.893 -4.568 1.00 0.00 N ATOM 945 CA SER A 65 4.476 -3.895 -5.304 1.00 0.00 C ATOM 946 C SER A 65 4.460 -2.565 -4.548 1.00 0.00 C ATOM 947 O SER A 65 3.469 -2.227 -3.900 1.00 0.00 O ATOM 948 CB SER A 65 3.916 -3.710 -6.714 1.00 0.00 C ATOM 949 OG SER A 65 3.368 -4.918 -7.235 1.00 0.00 O ATOM 0 H SER A 65 2.722 -4.699 -4.490 1.00 0.00 H new ATOM 0 HA SER A 65 5.505 -4.243 -5.394 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.145 -2.939 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.708 -3.357 -7.375 1.00 0.00 H new ATOM 0 HG SER A 65 3.461 -4.925 -8.211 1.00 0.00 H new ATOM 955 N VAL A 66 5.567 -1.845 -4.655 1.00 0.00 N ATOM 956 CA VAL A 66 5.692 -0.560 -3.991 1.00 0.00 C ATOM 957 C VAL A 66 5.943 0.528 -5.037 1.00 0.00 C ATOM 958 O VAL A 66 6.390 0.237 -6.147 1.00 0.00 O ATOM 959 CB VAL A 66 6.787 -0.629 -2.922 1.00 0.00 C ATOM 960 CG1 VAL A 66 7.971 0.267 -3.295 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.232 -0.259 -1.545 1.00 0.00 C ATOM 0 H VAL A 66 6.386 -2.128 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 66 4.767 -0.304 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 66 7.146 -1.657 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.735 0.201 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.389 -0.060 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.632 1.299 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.029 -0.316 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.835 0.756 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.436 -0.953 -1.275 1.00 0.00 H new ATOM 971 N ASP A 67 5.649 1.758 -4.646 1.00 0.00 N ATOM 972 CA ASP A 67 5.837 2.893 -5.537 1.00 0.00 C ATOM 973 C ASP A 67 7.334 3.151 -5.714 1.00 0.00 C ATOM 974 O ASP A 67 8.018 3.539 -4.768 1.00 0.00 O ATOM 975 CB ASP A 67 5.204 4.159 -4.958 1.00 0.00 C ATOM 976 CG ASP A 67 6.128 5.377 -4.903 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.577 5.799 -5.990 1.00 0.00 O ATOM 978 OD2 ASP A 67 6.366 5.858 -3.773 1.00 0.00 O ATOM 0 H ASP A 67 5.282 1.996 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 67 5.363 2.657 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.327 4.414 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.852 3.943 -3.949 1.00 0.00 H new ATOM 983 N GLY A 68 7.801 2.927 -6.935 1.00 0.00 N ATOM 984 CA GLY A 68 9.204 3.131 -7.249 1.00 0.00 C ATOM 985 C GLY A 68 9.903 1.799 -7.531 1.00 0.00 C ATOM 986 O GLY A 68 10.999 1.774 -8.088 1.00 0.00 O ATOM 0 H GLY A 68 7.231 2.606 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.295 3.784 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.697 3.635 -6.418 1.00 0.00 H new ATOM 990 N ARG A 69 9.237 0.724 -7.135 1.00 0.00 N ATOM 991 CA ARG A 69 9.782 -0.608 -7.337 1.00 0.00 C ATOM 992 C ARG A 69 8.649 -1.627 -7.484 1.00 0.00 C ATOM 993 O ARG A 69 7.921 -1.893 -6.530 1.00 0.00 O ATOM 994 CB ARG A 69 10.681 -1.021 -6.170 1.00 0.00 C ATOM 995 CG ARG A 69 11.791 0.008 -5.944 1.00 0.00 C ATOM 996 CD ARG A 69 12.683 -0.398 -4.770 1.00 0.00 C ATOM 997 NE ARG A 69 14.015 -0.811 -5.265 1.00 0.00 N ATOM 998 CZ ARG A 69 14.845 -0.009 -5.946 1.00 0.00 C ATOM 999 NH1 ARG A 69 14.486 1.255 -6.214 1.00 0.00 N ATOM 1000 NH2 ARG A 69 16.035 -0.468 -6.355 1.00 0.00 N ATOM 0 H ARG A 69 8.326 0.748 -6.676 1.00 0.00 H new ATOM 0 HA ARG A 69 10.379 -0.586 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.084 -1.122 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.121 -1.998 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.393 0.103 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.351 0.986 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.787 0.436 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.221 -1.217 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 69 14.320 -1.766 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.581 1.606 -5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.118 1.866 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.310 -1.428 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.666 0.143 -6.873 1.00 0.00 H new ATOM 1014 N SER A 70 8.535 -2.169 -8.688 1.00 0.00 N ATOM 1015 CA SER A 70 7.504 -3.152 -8.973 1.00 0.00 C ATOM 1016 C SER A 70 7.829 -4.470 -8.267 1.00 0.00 C ATOM 1017 O SER A 70 7.974 -5.506 -8.914 1.00 0.00 O ATOM 1018 CB SER A 70 7.357 -3.378 -10.478 1.00 0.00 C ATOM 1019 OG SER A 70 7.028 -2.176 -11.170 1.00 0.00 O ATOM 0 H SER A 70 9.140 -1.945 -9.478 1.00 0.00 H new ATOM 0 HA SER A 70 6.555 -2.770 -8.597 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.288 -3.782 -10.876 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.583 -4.124 -10.658 1.00 0.00 H new ATOM 0 HG SER A 70 6.945 -2.363 -12.128 1.00 0.00 H new ATOM 1025 N LEU A 71 7.932 -4.389 -6.948 1.00 0.00 N ATOM 1026 CA LEU A 71 8.237 -5.563 -6.148 1.00 0.00 C ATOM 1027 C LEU A 71 7.520 -6.777 -6.737 1.00 0.00 C ATOM 1028 O LEU A 71 8.161 -7.712 -7.214 1.00 0.00 O ATOM 1029 CB LEU A 71 7.910 -5.307 -4.675 1.00 0.00 C ATOM 1030 CG LEU A 71 8.948 -4.512 -3.884 1.00 0.00 C ATOM 1031 CD1 LEU A 71 8.994 -3.054 -4.350 1.00 0.00 C ATOM 1032 CD2 LEU A 71 8.695 -4.625 -2.379 1.00 0.00 C ATOM 0 H LEU A 71 7.810 -3.529 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 71 9.305 -5.779 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.959 -4.777 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.767 -6.269 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 71 9.930 -4.944 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.741 -2.510 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.258 -3.018 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.016 -2.594 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.448 -4.050 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.704 -4.234 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.753 -5.671 -2.078 1.00 0.00 H new ATOM 1044 N VAL A 72 6.196 -6.726 -6.685 1.00 0.00 N ATOM 1045 CA VAL A 72 5.383 -7.810 -7.208 1.00 0.00 C ATOM 1046 C VAL A 72 5.499 -9.021 -6.280 1.00 0.00 C ATOM 1047 O VAL A 72 4.777 -10.004 -6.445 1.00 0.00 O ATOM 1048 CB VAL A 72 5.789 -8.121 -8.649 1.00 0.00 C ATOM 1049 CG1 VAL A 72 4.860 -9.167 -9.269 1.00 0.00 C ATOM 1050 CG2 VAL A 72 5.821 -6.847 -9.496 1.00 0.00 C ATOM 0 H VAL A 72 5.667 -5.950 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 72 4.333 -7.520 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 72 6.796 -8.538 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.172 -9.369 -10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.908 -10.087 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.837 -8.791 -9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.113 -7.096 -10.516 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.832 -6.390 -9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.542 -6.147 -9.073 1.00 0.00 H new ATOM 1060 N GLY A 73 6.410 -8.911 -5.326 1.00 0.00 N ATOM 1061 CA GLY A 73 6.630 -9.984 -4.371 1.00 0.00 C ATOM 1062 C GLY A 73 7.918 -9.758 -3.577 1.00 0.00 C ATOM 1063 O GLY A 73 8.763 -10.648 -3.492 1.00 0.00 O ATOM 0 H GLY A 73 7.006 -8.094 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.783 -10.046 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.685 -10.937 -4.897 1.00 0.00 H new ATOM 1067 N LEU A 74 8.027 -8.564 -3.017 1.00 0.00 N ATOM 1068 CA LEU A 74 9.198 -8.208 -2.232 1.00 0.00 C ATOM 1069 C LEU A 74 8.751 -7.613 -0.896 1.00 0.00 C ATOM 1070 O LEU A 74 7.569 -7.328 -0.703 1.00 0.00 O ATOM 1071 CB LEU A 74 10.123 -7.291 -3.035 1.00 0.00 C ATOM 1072 CG LEU A 74 11.206 -7.987 -3.861 1.00 0.00 C ATOM 1073 CD1 LEU A 74 12.174 -6.968 -4.464 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.933 -9.047 -3.033 1.00 0.00 C ATOM 0 H LEU A 74 7.324 -7.829 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 74 9.787 -9.096 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.511 -6.690 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.608 -6.602 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 74 10.723 -8.504 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.934 -7.489 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.626 -6.284 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.653 -6.404 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.697 -9.526 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.402 -8.575 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.218 -9.797 -2.693 1.00 0.00 H new ATOM 1086 N SER A 75 9.717 -7.442 -0.007 1.00 0.00 N ATOM 1087 CA SER A 75 9.437 -6.886 1.307 1.00 0.00 C ATOM 1088 C SER A 75 9.371 -5.360 1.225 1.00 0.00 C ATOM 1089 O SER A 75 9.847 -4.766 0.259 1.00 0.00 O ATOM 1090 CB SER A 75 10.495 -7.317 2.323 1.00 0.00 C ATOM 1091 OG SER A 75 11.218 -8.467 1.890 1.00 0.00 O ATOM 0 H SER A 75 10.696 -7.679 -0.170 1.00 0.00 H new ATOM 0 HA SER A 75 8.473 -7.268 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.190 -6.495 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.014 -7.530 3.278 1.00 0.00 H new ATOM 0 HG SER A 75 11.885 -8.708 2.567 1.00 0.00 H new ATOM 1097 N GLN A 76 8.775 -4.770 2.251 1.00 0.00 N ATOM 1098 CA GLN A 76 8.640 -3.324 2.308 1.00 0.00 C ATOM 1099 C GLN A 76 9.925 -2.692 2.846 1.00 0.00 C ATOM 1100 O GLN A 76 10.094 -1.476 2.786 1.00 0.00 O ATOM 1101 CB GLN A 76 7.433 -2.920 3.156 1.00 0.00 C ATOM 1102 CG GLN A 76 7.809 -2.828 4.636 1.00 0.00 C ATOM 1103 CD GLN A 76 6.650 -2.267 5.463 1.00 0.00 C ATOM 1104 OE1 GLN A 76 5.476 -2.838 5.206 1.00 0.00 O flip ATOM 1105 NE2 GLN A 76 6.811 -1.376 6.280 1.00 0.00 N flip ATOM 0 H GLN A 76 8.380 -5.267 3.049 1.00 0.00 H new ATOM 0 HA GLN A 76 8.472 -2.953 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.049 -1.959 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.632 -3.648 3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.081 -3.816 5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.686 -2.191 4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.740 -0.982 6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.017 -1.025 6.815 1.00 0.00 H new ATOM 1114 N GLU A 77 10.797 -3.547 3.359 1.00 0.00 N ATOM 1115 CA GLU A 77 12.063 -3.086 3.906 1.00 0.00 C ATOM 1116 C GLU A 77 12.649 -1.980 3.029 1.00 0.00 C ATOM 1117 O GLU A 77 12.830 -0.850 3.482 1.00 0.00 O ATOM 1118 CB GLU A 77 13.049 -4.244 4.060 1.00 0.00 C ATOM 1119 CG GLU A 77 12.463 -5.349 4.944 1.00 0.00 C ATOM 1120 CD GLU A 77 13.570 -6.102 5.685 1.00 0.00 C ATOM 1121 OE1 GLU A 77 14.229 -5.456 6.529 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.732 -7.306 5.393 1.00 0.00 O ATOM 0 H GLU A 77 10.653 -4.556 3.408 1.00 0.00 H new ATOM 0 HA GLU A 77 11.879 -2.676 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.295 -4.650 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.979 -3.879 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.769 -4.915 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.892 -6.046 4.331 1.00 0.00 H new ATOM 1129 N ARG A 78 12.933 -2.341 1.786 1.00 0.00 N ATOM 1130 CA ARG A 78 13.496 -1.393 0.839 1.00 0.00 C ATOM 1131 C ARG A 78 12.388 -0.541 0.219 1.00 0.00 C ATOM 1132 O ARG A 78 12.498 0.683 0.163 1.00 0.00 O ATOM 1133 CB ARG A 78 14.260 -2.114 -0.273 1.00 0.00 C ATOM 1134 CG ARG A 78 14.908 -3.398 0.248 1.00 0.00 C ATOM 1135 CD ARG A 78 14.181 -4.634 -0.285 1.00 0.00 C ATOM 1136 NE ARG A 78 15.088 -5.803 -0.264 1.00 0.00 N ATOM 1137 CZ ARG A 78 14.944 -6.880 -1.047 1.00 0.00 C ATOM 1138 NH1 ARG A 78 13.926 -6.944 -1.918 1.00 0.00 N ATOM 1139 NH2 ARG A 78 15.817 -7.892 -0.963 1.00 0.00 N ATOM 0 H ARG A 78 12.783 -3.278 1.412 1.00 0.00 H new ATOM 0 HA ARG A 78 14.189 -0.752 1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.580 -2.352 -1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 78 15.027 -1.454 -0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.955 -3.429 -0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.890 -3.403 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.299 -4.837 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.833 -4.451 -1.302 1.00 0.00 H new ATOM 0 HE ARG A 78 15.872 -5.788 0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.262 -6.173 -1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.816 -7.764 -2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.592 -7.843 -0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.706 -8.712 -1.560 1.00 0.00 H new ATOM 1153 N ALA A 79 11.345 -1.222 -0.233 1.00 0.00 N ATOM 1154 CA ALA A 79 10.218 -0.542 -0.850 1.00 0.00 C ATOM 1155 C ALA A 79 9.741 0.582 0.072 1.00 0.00 C ATOM 1156 O ALA A 79 9.946 1.759 -0.221 1.00 0.00 O ATOM 1157 CB ALA A 79 9.112 -1.556 -1.150 1.00 0.00 C ATOM 0 H ALA A 79 11.256 -2.237 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 79 10.514 -0.091 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.267 -1.046 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.492 -2.319 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.788 -2.026 -0.222 1.00 0.00 H new ATOM 1163 N ALA A 80 9.113 0.181 1.168 1.00 0.00 N ATOM 1164 CA ALA A 80 8.606 1.139 2.134 1.00 0.00 C ATOM 1165 C ALA A 80 9.443 2.419 2.064 1.00 0.00 C ATOM 1166 O ALA A 80 8.930 3.483 1.723 1.00 0.00 O ATOM 1167 CB ALA A 80 8.614 0.513 3.530 1.00 0.00 C ATOM 0 H ALA A 80 8.944 -0.796 1.408 1.00 0.00 H new ATOM 0 HA ALA A 80 7.575 1.406 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.233 1.233 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.982 -0.375 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.633 0.234 3.798 1.00 0.00 H new ATOM 1173 N GLU A 81 10.718 2.273 2.393 1.00 0.00 N ATOM 1174 CA GLU A 81 11.631 3.402 2.372 1.00 0.00 C ATOM 1175 C GLU A 81 11.402 4.247 1.118 1.00 0.00 C ATOM 1176 O GLU A 81 10.909 5.370 1.202 1.00 0.00 O ATOM 1177 CB GLU A 81 13.084 2.934 2.462 1.00 0.00 C ATOM 1178 CG GLU A 81 14.031 4.118 2.671 1.00 0.00 C ATOM 1179 CD GLU A 81 14.900 3.912 3.913 1.00 0.00 C ATOM 1180 OE1 GLU A 81 15.412 2.782 4.068 1.00 0.00 O ATOM 1181 OE2 GLU A 81 15.034 4.889 4.680 1.00 0.00 O ATOM 0 H GLU A 81 11.140 1.389 2.676 1.00 0.00 H new ATOM 0 HA GLU A 81 11.430 4.023 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.192 2.228 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.356 2.403 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.667 4.239 1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.453 5.036 2.775 1.00 0.00 H new ATOM 1188 N LEU A 82 11.773 3.672 -0.018 1.00 0.00 N ATOM 1189 CA LEU A 82 11.613 4.358 -1.290 1.00 0.00 C ATOM 1190 C LEU A 82 10.135 4.690 -1.504 1.00 0.00 C ATOM 1191 O LEU A 82 9.792 5.459 -2.399 1.00 0.00 O ATOM 1192 CB LEU A 82 12.229 3.535 -2.422 1.00 0.00 C ATOM 1193 CG LEU A 82 12.657 4.318 -3.666 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.469 5.055 -4.286 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.815 5.267 -3.342 1.00 0.00 C ATOM 0 H LEU A 82 12.183 2.740 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 82 12.154 5.304 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.100 3.010 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.509 2.775 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 82 13.018 3.608 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.801 5.603 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.703 4.334 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.055 5.754 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.101 5.812 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.502 5.974 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.667 4.691 -2.980 1.00 0.00 H new ATOM 1207 N MET A 83 9.300 4.095 -0.665 1.00 0.00 N ATOM 1208 CA MET A 83 7.867 4.319 -0.751 1.00 0.00 C ATOM 1209 C MET A 83 7.412 5.362 0.272 1.00 0.00 C ATOM 1210 O MET A 83 6.280 5.840 0.215 1.00 0.00 O ATOM 1211 CB MET A 83 7.128 3.002 -0.500 1.00 0.00 C ATOM 1212 CG MET A 83 6.064 2.758 -1.571 1.00 0.00 C ATOM 1213 SD MET A 83 4.472 2.503 -0.803 1.00 0.00 S ATOM 1214 CE MET A 83 4.969 1.583 0.643 1.00 0.00 C ATOM 0 H MET A 83 9.588 3.458 0.078 1.00 0.00 H new ATOM 0 HA MET A 83 7.636 4.692 -1.749 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.840 2.177 -0.495 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.660 3.025 0.484 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.017 3.610 -2.250 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.332 1.887 -2.170 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.367 0.678 0.723 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.022 1.313 0.558 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.822 2.196 1.532 1.00 0.00 H new ATOM 1224 N THR A 84 8.318 5.684 1.183 1.00 0.00 N ATOM 1225 CA THR A 84 8.026 6.662 2.216 1.00 0.00 C ATOM 1226 C THR A 84 8.241 8.081 1.684 1.00 0.00 C ATOM 1227 O THR A 84 7.333 8.912 1.731 1.00 0.00 O ATOM 1228 CB THR A 84 8.886 6.335 3.437 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.605 4.962 3.701 1.00 0.00 O ATOM 1230 CG2 THR A 84 8.415 7.059 4.699 1.00 0.00 C ATOM 0 H THR A 84 9.255 5.284 1.227 1.00 0.00 H new ATOM 0 HA THR A 84 6.979 6.616 2.517 1.00 0.00 H new ATOM 0 HB THR A 84 9.922 6.602 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.358 4.512 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.061 6.791 5.535 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.459 8.136 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.389 6.767 4.925 1.00 0.00 H new ATOM 1238 N ARG A 85 9.448 8.316 1.192 1.00 0.00 N ATOM 1239 CA ARG A 85 9.796 9.622 0.652 1.00 0.00 C ATOM 1240 C ARG A 85 9.006 9.892 -0.629 1.00 0.00 C ATOM 1241 O ARG A 85 9.590 10.114 -1.689 1.00 0.00 O ATOM 1242 CB ARG A 85 11.293 9.711 0.349 1.00 0.00 C ATOM 1243 CG ARG A 85 11.802 11.143 0.524 1.00 0.00 C ATOM 1244 CD ARG A 85 13.319 11.164 0.725 1.00 0.00 C ATOM 1245 NE ARG A 85 13.834 12.538 0.530 1.00 0.00 N ATOM 1246 CZ ARG A 85 14.055 13.097 -0.667 1.00 0.00 C ATOM 1247 NH1 ARG A 85 13.808 12.401 -1.785 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.527 14.348 -0.746 1.00 0.00 N ATOM 0 H ARG A 85 10.198 7.626 1.155 1.00 0.00 H new ATOM 0 HA ARG A 85 9.544 10.371 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.842 9.042 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.482 9.376 -0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.539 11.736 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.311 11.605 1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.567 10.812 1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.797 10.484 0.021 1.00 0.00 H new ATOM 0 HE ARG A 85 14.033 13.095 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.452 11.447 -1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.976 12.825 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.718 14.876 0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.695 14.773 -1.658 1.00 0.00 H new ATOM 1262 N THR A 86 7.687 9.867 -0.490 1.00 0.00 N ATOM 1263 CA THR A 86 6.811 10.107 -1.624 1.00 0.00 C ATOM 1264 C THR A 86 6.559 11.607 -1.795 1.00 0.00 C ATOM 1265 O THR A 86 6.813 12.166 -2.859 1.00 0.00 O ATOM 1266 CB THR A 86 5.532 9.295 -1.413 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.833 8.021 -1.973 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.366 9.810 -2.262 1.00 0.00 C ATOM 0 H THR A 86 7.205 9.684 0.390 1.00 0.00 H new ATOM 0 HA THR A 86 7.271 9.779 -2.556 1.00 0.00 H new ATOM 0 HB THR A 86 5.254 9.322 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.982 7.374 -1.252 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.482 9.200 -2.075 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.154 10.846 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.631 9.751 -3.318 1.00 0.00 H new ATOM 1276 N SER A 87 6.061 12.215 -0.729 1.00 0.00 N ATOM 1277 CA SER A 87 5.771 13.639 -0.746 1.00 0.00 C ATOM 1278 C SER A 87 5.475 14.095 -2.176 1.00 0.00 C ATOM 1279 O SER A 87 6.283 14.792 -2.789 1.00 0.00 O ATOM 1280 CB SER A 87 6.932 14.445 -0.160 1.00 0.00 C ATOM 1281 OG SER A 87 6.667 14.872 1.173 1.00 0.00 O ATOM 0 H SER A 87 5.851 11.748 0.153 1.00 0.00 H new ATOM 0 HA SER A 87 4.893 13.817 -0.126 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.837 13.838 -0.173 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.123 15.315 -0.788 1.00 0.00 H new ATOM 0 HG SER A 87 7.433 15.382 1.512 1.00 0.00 H new ATOM 1287 N SER A 88 4.317 13.683 -2.667 1.00 0.00 N ATOM 1288 CA SER A 88 3.904 14.042 -4.014 1.00 0.00 C ATOM 1289 C SER A 88 2.880 13.030 -4.534 1.00 0.00 C ATOM 1290 O SER A 88 1.718 13.372 -4.746 1.00 0.00 O ATOM 1291 CB SER A 88 5.107 14.113 -4.957 1.00 0.00 C ATOM 1292 OG SER A 88 5.655 15.427 -5.024 1.00 0.00 O ATOM 0 H SER A 88 3.650 13.104 -2.157 1.00 0.00 H new ATOM 0 HA SER A 88 3.444 15.030 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.874 13.417 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.805 13.795 -5.955 1.00 0.00 H new ATOM 0 HG SER A 88 6.022 15.673 -4.149 1.00 0.00 H new ATOM 1298 N VAL A 89 3.350 11.806 -4.724 1.00 0.00 N ATOM 1299 CA VAL A 89 2.490 10.743 -5.214 1.00 0.00 C ATOM 1300 C VAL A 89 3.043 9.392 -4.756 1.00 0.00 C ATOM 1301 O VAL A 89 4.252 9.166 -4.801 1.00 0.00 O ATOM 1302 CB VAL A 89 2.346 10.845 -6.735 1.00 0.00 C ATOM 1303 CG1 VAL A 89 3.353 9.933 -7.442 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.917 10.529 -7.174 1.00 0.00 C ATOM 0 H VAL A 89 4.315 11.527 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 89 1.487 10.842 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 89 2.563 11.873 -7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.231 10.023 -8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.366 10.226 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.180 8.899 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.843 10.609 -8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.657 9.516 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.229 11.236 -6.711 1.00 0.00 H new ATOM 1314 N VAL A 90 2.134 8.529 -4.327 1.00 0.00 N ATOM 1315 CA VAL A 90 2.516 7.209 -3.860 1.00 0.00 C ATOM 1316 C VAL A 90 1.822 6.149 -4.719 1.00 0.00 C ATOM 1317 O VAL A 90 0.853 6.447 -5.415 1.00 0.00 O ATOM 1318 CB VAL A 90 2.201 7.068 -2.370 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.483 6.892 -1.554 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.389 8.263 -1.866 1.00 0.00 C ATOM 0 H VAL A 90 1.133 8.719 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 90 3.591 7.064 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 90 1.594 6.172 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.232 6.794 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.006 5.996 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.126 7.761 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.178 8.138 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.959 9.180 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.451 8.324 -2.417 1.00 0.00 H new ATOM 1330 N THR A 91 2.345 4.935 -4.642 1.00 0.00 N ATOM 1331 CA THR A 91 1.788 3.829 -5.404 1.00 0.00 C ATOM 1332 C THR A 91 2.028 2.505 -4.675 1.00 0.00 C ATOM 1333 O THR A 91 3.121 2.262 -4.168 1.00 0.00 O ATOM 1334 CB THR A 91 2.395 3.870 -6.808 1.00 0.00 C ATOM 1335 OG1 THR A 91 2.865 5.209 -6.944 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.339 3.733 -7.906 1.00 0.00 C ATOM 0 H THR A 91 3.149 4.692 -4.063 1.00 0.00 H new ATOM 0 HA THR A 91 0.706 3.919 -5.500 1.00 0.00 H new ATOM 0 HB THR A 91 3.130 3.071 -6.909 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.731 5.207 -7.404 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.823 3.768 -8.882 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.818 2.782 -7.793 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.623 4.551 -7.826 1.00 0.00 H new ATOM 1344 N LEU A 92 0.990 1.684 -4.649 1.00 0.00 N ATOM 1345 CA LEU A 92 1.073 0.392 -3.992 1.00 0.00 C ATOM 1346 C LEU A 92 0.124 -0.589 -4.684 1.00 0.00 C ATOM 1347 O LEU A 92 -1.015 -0.247 -4.989 1.00 0.00 O ATOM 1348 CB LEU A 92 0.821 0.536 -2.491 1.00 0.00 C ATOM 1349 CG LEU A 92 1.884 1.303 -1.702 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.516 2.784 -1.582 1.00 0.00 C ATOM 1351 CD2 LEU A 92 2.123 0.661 -0.335 1.00 0.00 C ATOM 0 H LEU A 92 0.085 1.889 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 92 2.079 -0.018 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.138 1.035 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.727 -0.461 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 92 2.823 1.247 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.288 3.306 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.437 3.221 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.561 2.881 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.883 1.226 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.195 0.665 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.462 -0.366 -0.470 1.00 0.00 H new ATOM 1363 N GLU A 93 0.633 -1.793 -4.911 1.00 0.00 N ATOM 1364 CA GLU A 93 -0.156 -2.826 -5.560 1.00 0.00 C ATOM 1365 C GLU A 93 -0.662 -3.836 -4.528 1.00 0.00 C ATOM 1366 O GLU A 93 0.114 -4.624 -3.991 1.00 0.00 O ATOM 1367 CB GLU A 93 0.653 -3.523 -6.657 1.00 0.00 C ATOM 1368 CG GLU A 93 -0.214 -4.523 -7.426 1.00 0.00 C ATOM 1369 CD GLU A 93 0.507 -5.862 -7.587 1.00 0.00 C ATOM 1370 OE1 GLU A 93 1.252 -5.989 -8.582 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.298 -6.730 -6.712 1.00 0.00 O ATOM 0 H GLU A 93 1.580 -2.075 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.019 -2.355 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.055 -2.780 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.504 -4.040 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.156 -4.674 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.460 -4.118 -8.408 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.963 -3.777 -4.280 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.583 -4.676 -3.322 1.00 0.00 C ATOM 1380 C VAL A 94 -3.269 -5.819 -4.071 1.00 0.00 C ATOM 1381 O VAL A 94 -3.460 -5.744 -5.284 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.540 -3.895 -2.416 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.909 -2.579 -1.958 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.877 -3.647 -3.116 1.00 0.00 C ATOM 0 H VAL A 94 -2.604 -3.121 -4.726 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.829 -5.120 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.733 -4.501 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.609 -2.044 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.994 -2.788 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.673 -1.966 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.538 -3.091 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.710 -3.071 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.337 -4.602 -3.370 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.621 -6.851 -3.317 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.282 -8.009 -3.896 1.00 0.00 C ATOM 1396 C ALA A 95 -5.172 -8.664 -2.839 1.00 0.00 C ATOM 1397 O ALA A 95 -4.985 -8.444 -1.642 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.231 -8.972 -4.452 1.00 0.00 C ATOM 0 H ALA A 95 -3.461 -6.909 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.922 -7.710 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.727 -9.840 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.645 -8.467 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.572 -9.296 -3.647 1.00 0.00 H new