USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 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 21 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 MET CE :methyl -127:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= 0.225 (180deg=0.00195) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 43 MET CE :methyl 180:sc= -0.975 (180deg=-0.975) USER MOD Single : A 45 MET CE :methyl 163:sc=-0.00127 (180deg=-0.304) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -1.55 K(o=-1.5,f=-5.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -109:sc= 0.256 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -135:sc= -0.0474 (180deg=-0.409) USER MOD Single : A 67 TYR OH : rot 30:sc= -0.0345 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc=-0.00433 X(o=-0.0043,f=-0.0034) USER MOD Single : A 76 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.04) USER MOD Single : A 77 THR OG1 : rot -120:sc= 0.849 USER MOD ----------------------------------------------------------------- ATOM 174 N GLY A 16 1.418 9.353 2.681 1.00 0.00 N ATOM 175 CA GLY A 16 0.901 8.005 2.517 1.00 0.00 C ATOM 176 C GLY A 16 1.926 6.965 2.972 1.00 0.00 C ATOM 177 O GLY A 16 3.126 7.235 2.984 1.00 0.00 O ATOM 0 HA2 GLY A 16 -0.017 7.892 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.645 7.835 1.471 1.00 0.00 H new ATOM 181 N PRO A 17 1.403 5.766 3.345 1.00 0.00 N ATOM 182 CA PRO A 17 2.259 4.684 3.799 1.00 0.00 C ATOM 183 C PRO A 17 2.995 4.037 2.624 1.00 0.00 C ATOM 184 O PRO A 17 2.591 4.193 1.472 1.00 0.00 O ATOM 185 CB PRO A 17 1.329 3.722 4.520 1.00 0.00 C ATOM 186 CG PRO A 17 -0.074 4.063 4.044 1.00 0.00 C ATOM 187 CD PRO A 17 -0.013 5.411 3.343 1.00 0.00 C ATOM 0 HA PRO A 17 3.051 5.026 4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.580 2.687 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.413 3.834 5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.444 3.295 3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.764 4.102 4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.404 5.347 2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.609 6.158 3.868 1.00 0.00 H new ATOM 195 N LEU A 18 4.061 3.323 2.955 1.00 0.00 N ATOM 196 CA LEU A 18 4.856 2.651 1.942 1.00 0.00 C ATOM 197 C LEU A 18 4.861 1.147 2.218 1.00 0.00 C ATOM 198 O LEU A 18 5.218 0.714 3.313 1.00 0.00 O ATOM 199 CB LEU A 18 6.255 3.267 1.864 1.00 0.00 C ATOM 200 CG LEU A 18 6.342 4.657 1.231 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.796 5.118 1.118 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.623 4.691 -0.119 1.00 0.00 C ATOM 0 H LEU A 18 4.393 3.195 3.911 1.00 0.00 H new ATOM 0 HA LEU A 18 4.415 2.792 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.662 3.323 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.897 2.591 1.299 1.00 0.00 H new ATOM 0 HG LEU A 18 5.831 5.363 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.829 6.109 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.243 5.158 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.353 4.416 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.700 5.690 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.083 3.970 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.572 4.437 0.022 1.00 0.00 H new ATOM 214 N ALA A 19 4.461 0.390 1.206 1.00 0.00 N ATOM 215 CA ALA A 19 4.415 -1.057 1.326 1.00 0.00 C ATOM 216 C ALA A 19 5.688 -1.548 2.018 1.00 0.00 C ATOM 217 O ALA A 19 6.773 -1.020 1.777 1.00 0.00 O ATOM 218 CB ALA A 19 4.227 -1.679 -0.059 1.00 0.00 C ATOM 0 H ALA A 19 4.166 0.752 0.299 1.00 0.00 H new ATOM 0 HA ALA A 19 3.567 -1.364 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.193 -2.765 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.294 -1.321 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.060 -1.395 -0.702 1.00 0.00 H new ATOM 224 N PRO A 20 5.509 -2.579 2.886 1.00 0.00 N ATOM 225 CA PRO A 20 6.631 -3.147 3.615 1.00 0.00 C ATOM 226 C PRO A 20 7.492 -4.021 2.700 1.00 0.00 C ATOM 227 O PRO A 20 8.701 -3.817 2.599 1.00 0.00 O ATOM 228 CB PRO A 20 6.003 -3.925 4.760 1.00 0.00 C ATOM 229 CG PRO A 20 4.553 -4.149 4.366 1.00 0.00 C ATOM 230 CD PRO A 20 4.240 -3.229 3.197 1.00 0.00 C ATOM 0 HA PRO A 20 7.314 -2.387 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.516 -4.874 4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.072 -3.368 5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.390 -5.190 4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.892 -3.937 5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.863 -3.790 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.476 -2.499 3.462 1.00 0.00 H new ATOM 238 N MET A 21 6.836 -4.976 2.058 1.00 0.00 N ATOM 239 CA MET A 21 7.527 -5.882 1.156 1.00 0.00 C ATOM 240 C MET A 21 6.636 -6.261 -0.029 1.00 0.00 C ATOM 241 O MET A 21 5.445 -5.952 -0.039 1.00 0.00 O ATOM 242 CB MET A 21 7.933 -7.147 1.914 1.00 0.00 C ATOM 243 CG MET A 21 8.905 -7.993 1.088 1.00 0.00 C ATOM 244 SD MET A 21 9.940 -8.964 2.170 1.00 0.00 S ATOM 245 CE MET A 21 9.880 -10.537 1.327 1.00 0.00 C ATOM 0 H MET A 21 5.833 -5.142 2.144 1.00 0.00 H new ATOM 0 HA MET A 21 8.414 -5.377 0.773 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.397 -6.874 2.862 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.046 -7.734 2.151 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.350 -8.649 0.417 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.522 -7.347 0.464 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.535 -11.246 1.833 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.858 -10.916 1.337 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.210 -10.410 0.296 1.00 0.00 H new ATOM 255 N THR A 22 7.247 -6.925 -0.999 1.00 0.00 N ATOM 256 CA THR A 22 6.523 -7.349 -2.186 1.00 0.00 C ATOM 257 C THR A 22 5.358 -8.262 -1.802 1.00 0.00 C ATOM 258 O THR A 22 5.545 -9.247 -1.089 1.00 0.00 O ATOM 259 CB THR A 22 7.523 -8.007 -3.139 1.00 0.00 C ATOM 260 OG1 THR A 22 8.530 -7.016 -3.325 1.00 0.00 O ATOM 261 CG2 THR A 22 6.945 -8.219 -4.540 1.00 0.00 C ATOM 0 H THR A 22 8.235 -7.180 -0.988 1.00 0.00 H new ATOM 0 HA THR A 22 6.073 -6.500 -2.700 1.00 0.00 H new ATOM 0 HB THR A 22 7.838 -8.966 -2.728 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.220 -7.360 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.695 -8.689 -5.176 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.068 -8.863 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.660 -7.257 -4.965 1.00 0.00 H new ATOM 269 N GLY A 23 4.180 -7.904 -2.293 1.00 0.00 N ATOM 270 CA GLY A 23 2.984 -8.679 -2.010 1.00 0.00 C ATOM 271 C GLY A 23 1.810 -8.209 -2.871 1.00 0.00 C ATOM 272 O GLY A 23 1.938 -7.250 -3.631 1.00 0.00 O ATOM 0 H GLY A 23 4.029 -7.087 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.178 -9.735 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.727 -8.585 -0.955 1.00 0.00 H new ATOM 276 N THR A 24 0.694 -8.907 -2.724 1.00 0.00 N ATOM 277 CA THR A 24 -0.502 -8.574 -3.480 1.00 0.00 C ATOM 278 C THR A 24 -1.603 -8.075 -2.542 1.00 0.00 C ATOM 279 O THR A 24 -1.715 -8.538 -1.408 1.00 0.00 O ATOM 280 CB THR A 24 -0.907 -9.806 -4.291 1.00 0.00 C ATOM 281 OG1 THR A 24 0.137 -9.948 -5.251 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.160 -9.564 -5.136 1.00 0.00 C ATOM 0 H THR A 24 0.592 -9.702 -2.093 1.00 0.00 H new ATOM 0 HA THR A 24 -0.315 -7.756 -4.176 1.00 0.00 H new ATOM 0 HB THR A 24 -1.080 -10.644 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.045 -10.726 -5.819 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.404 -10.469 -5.692 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.993 -9.302 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.976 -8.748 -5.835 1.00 0.00 H new ATOM 290 N ILE A 25 -2.389 -7.136 -3.050 1.00 0.00 N ATOM 291 CA ILE A 25 -3.477 -6.569 -2.272 1.00 0.00 C ATOM 292 C ILE A 25 -4.649 -7.553 -2.251 1.00 0.00 C ATOM 293 O ILE A 25 -5.230 -7.855 -3.292 1.00 0.00 O ATOM 294 CB ILE A 25 -3.848 -5.183 -2.801 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.595 -4.351 -3.087 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.804 -4.468 -1.844 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.773 -4.144 -1.813 1.00 0.00 C ATOM 0 H ILE A 25 -2.293 -6.754 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.168 -6.418 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.374 -5.309 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.986 -4.851 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.882 -3.384 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.052 -3.485 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.716 -5.055 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.327 -4.354 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.888 -3.550 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.377 -3.622 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.467 -5.112 -1.416 1.00 0.00 H new ATOM 309 N GLU A 26 -4.961 -8.025 -1.053 1.00 0.00 N ATOM 310 CA GLU A 26 -6.053 -8.968 -0.882 1.00 0.00 C ATOM 311 C GLU A 26 -7.348 -8.226 -0.544 1.00 0.00 C ATOM 312 O GLU A 26 -8.388 -8.476 -1.151 1.00 0.00 O ATOM 313 CB GLU A 26 -5.719 -10.005 0.193 1.00 0.00 C ATOM 314 CG GLU A 26 -6.815 -11.068 0.289 1.00 0.00 C ATOM 315 CD GLU A 26 -7.027 -11.760 -1.059 1.00 0.00 C ATOM 316 OE1 GLU A 26 -6.044 -12.351 -1.555 1.00 0.00 O ATOM 317 OE2 GLU A 26 -8.168 -11.682 -1.564 1.00 0.00 O ATOM 0 H GLU A 26 -4.477 -7.772 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.197 -9.501 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.766 -10.480 -0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.602 -9.510 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.544 -11.807 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.747 -10.606 0.615 1.00 0.00 H new ATOM 324 N LYS A 27 -7.242 -7.328 0.424 1.00 0.00 N ATOM 325 CA LYS A 27 -8.391 -6.547 0.850 1.00 0.00 C ATOM 326 C LYS A 27 -7.983 -5.079 0.986 1.00 0.00 C ATOM 327 O LYS A 27 -6.827 -4.777 1.276 1.00 0.00 O ATOM 328 CB LYS A 27 -8.997 -7.138 2.125 1.00 0.00 C ATOM 329 CG LYS A 27 -9.985 -8.258 1.795 1.00 0.00 C ATOM 330 CD LYS A 27 -11.384 -7.696 1.534 1.00 0.00 C ATOM 331 CE LYS A 27 -11.815 -7.948 0.088 1.00 0.00 C ATOM 332 NZ LYS A 27 -12.486 -6.752 -0.468 1.00 0.00 N ATOM 0 H LYS A 27 -6.378 -7.124 0.926 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.180 -6.590 0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.203 -7.525 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.505 -6.354 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.640 -8.806 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.023 -8.969 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.098 -8.158 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.394 -6.625 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.945 -8.199 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.490 -8.803 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.226 -6.642 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.517 -6.864 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.187 -5.908 0.062 1.00 0.00 H new ATOM 346 N VAL A 28 -8.955 -4.205 0.769 1.00 0.00 N ATOM 347 CA VAL A 28 -8.712 -2.776 0.863 1.00 0.00 C ATOM 348 C VAL A 28 -9.811 -2.131 1.711 1.00 0.00 C ATOM 349 O VAL A 28 -10.926 -1.925 1.235 1.00 0.00 O ATOM 350 CB VAL A 28 -8.604 -2.170 -0.537 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.621 -0.641 -0.476 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.353 -2.676 -1.259 1.00 0.00 C ATOM 0 H VAL A 28 -9.913 -4.460 0.528 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.762 -2.582 1.360 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.474 -2.492 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.543 -0.236 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.553 -0.305 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.779 -0.291 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.300 -2.230 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.466 -2.398 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.400 -3.761 -1.351 1.00 0.00 H new ATOM 362 N PHE A 29 -9.457 -1.830 2.952 1.00 0.00 N ATOM 363 CA PHE A 29 -10.399 -1.212 3.869 1.00 0.00 C ATOM 364 C PHE A 29 -10.196 0.303 3.926 1.00 0.00 C ATOM 365 O PHE A 29 -10.089 0.879 5.007 1.00 0.00 O ATOM 366 CB PHE A 29 -10.126 -1.803 5.254 1.00 0.00 C ATOM 367 CG PHE A 29 -10.214 -3.329 5.308 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.297 -3.967 4.788 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.209 -4.049 5.876 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.378 -5.384 4.838 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.290 -5.466 5.926 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.373 -6.103 5.406 1.00 0.00 C ATOM 0 H PHE A 29 -8.531 -2.003 3.343 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.420 -1.402 3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.132 -1.495 5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.839 -1.383 5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.095 -3.396 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.349 -3.543 6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.238 -5.891 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.492 -6.037 6.377 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.435 -7.181 5.444 1.00 0.00 H new ATOM 382 N VAL A 30 -10.150 0.906 2.747 1.00 0.00 N ATOM 383 CA VAL A 30 -9.962 2.343 2.648 1.00 0.00 C ATOM 384 C VAL A 30 -10.751 2.875 1.450 1.00 0.00 C ATOM 385 O VAL A 30 -11.473 2.125 0.795 1.00 0.00 O ATOM 386 CB VAL A 30 -8.470 2.672 2.574 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.752 2.256 3.860 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.824 2.019 1.350 1.00 0.00 C ATOM 0 H VAL A 30 -10.240 0.425 1.852 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.347 2.840 3.538 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.371 3.752 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.693 2.501 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.185 2.788 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.866 1.182 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.763 2.269 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.940 0.937 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.308 2.385 0.444 1.00 0.00 H new ATOM 398 N LYS A 31 -10.587 4.166 1.200 1.00 0.00 N ATOM 399 CA LYS A 31 -11.275 4.807 0.092 1.00 0.00 C ATOM 400 C LYS A 31 -10.963 6.305 0.101 1.00 0.00 C ATOM 401 O LYS A 31 -10.439 6.827 1.084 1.00 0.00 O ATOM 402 CB LYS A 31 -12.771 4.490 0.135 1.00 0.00 C ATOM 403 CG LYS A 31 -13.343 4.734 1.534 1.00 0.00 C ATOM 404 CD LYS A 31 -14.079 6.073 1.600 1.00 0.00 C ATOM 405 CE LYS A 31 -15.391 6.017 0.816 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.506 6.550 1.631 1.00 0.00 N ATOM 0 H LYS A 31 -9.988 4.785 1.746 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.916 4.412 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.299 5.109 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.935 3.452 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.026 3.926 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.537 4.722 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.283 6.329 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.444 6.861 1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.297 6.594 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.604 4.988 0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.389 6.504 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.606 5.982 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.308 7.538 1.886 1.00 0.00 H new ATOM 420 N ALA A 32 -11.298 6.954 -1.004 1.00 0.00 N ATOM 421 CA ALA A 32 -11.060 8.381 -1.136 1.00 0.00 C ATOM 422 C ALA A 32 -12.046 9.142 -0.248 1.00 0.00 C ATOM 423 O ALA A 32 -13.199 8.737 -0.106 1.00 0.00 O ATOM 424 CB ALA A 32 -11.169 8.783 -2.608 1.00 0.00 C ATOM 0 H ALA A 32 -11.733 6.517 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.054 8.635 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.990 9.854 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.427 8.236 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.167 8.546 -2.977 1.00 0.00 H new ATOM 430 N GLY A 33 -11.558 10.232 0.326 1.00 0.00 N ATOM 431 CA GLY A 33 -12.383 11.053 1.196 1.00 0.00 C ATOM 432 C GLY A 33 -12.838 10.264 2.425 1.00 0.00 C ATOM 433 O GLY A 33 -13.862 10.583 3.028 1.00 0.00 O ATOM 0 H GLY A 33 -10.602 10.566 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.822 11.933 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.254 11.411 0.646 1.00 0.00 H new ATOM 437 N ASP A 34 -12.055 9.250 2.761 1.00 0.00 N ATOM 438 CA ASP A 34 -12.364 8.413 3.908 1.00 0.00 C ATOM 439 C ASP A 34 -11.628 8.948 5.138 1.00 0.00 C ATOM 440 O ASP A 34 -10.772 9.823 5.021 1.00 0.00 O ATOM 441 CB ASP A 34 -11.910 6.970 3.676 1.00 0.00 C ATOM 442 CG ASP A 34 -12.667 5.916 4.486 1.00 0.00 C ATOM 443 OD1 ASP A 34 -13.849 6.178 4.795 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.045 4.872 4.779 1.00 0.00 O ATOM 0 H ASP A 34 -11.206 8.989 2.259 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.444 8.432 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.016 6.738 2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.849 6.896 3.914 1.00 0.00 H new ATOM 449 N LYS A 35 -11.989 8.399 6.289 1.00 0.00 N ATOM 450 CA LYS A 35 -11.373 8.810 7.539 1.00 0.00 C ATOM 451 C LYS A 35 -10.827 7.578 8.263 1.00 0.00 C ATOM 452 O LYS A 35 -11.526 6.576 8.403 1.00 0.00 O ATOM 453 CB LYS A 35 -12.357 9.631 8.376 1.00 0.00 C ATOM 454 CG LYS A 35 -13.007 10.731 7.536 1.00 0.00 C ATOM 455 CD LYS A 35 -12.099 11.959 7.443 1.00 0.00 C ATOM 456 CE LYS A 35 -12.901 13.208 7.071 1.00 0.00 C ATOM 457 NZ LYS A 35 -12.605 14.313 8.009 1.00 0.00 N ATOM 0 H LYS A 35 -12.700 7.673 6.382 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.526 9.469 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.128 8.977 8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.836 10.076 9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.217 10.353 6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.963 11.014 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.596 12.117 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.323 11.786 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.659 13.513 6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.967 12.982 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.158 15.153 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.858 14.025 8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.591 14.539 7.970 1.00 0.00 H new ATOM 471 N VAL A 36 -9.583 7.693 8.704 1.00 0.00 N ATOM 472 CA VAL A 36 -8.936 6.601 9.411 1.00 0.00 C ATOM 473 C VAL A 36 -8.201 7.154 10.633 1.00 0.00 C ATOM 474 O VAL A 36 -7.848 8.332 10.669 1.00 0.00 O ATOM 475 CB VAL A 36 -8.017 5.833 8.458 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.820 5.180 7.331 1.00 0.00 C ATOM 477 CG2 VAL A 36 -6.925 6.745 7.896 1.00 0.00 C ATOM 0 H VAL A 36 -9.006 8.526 8.585 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.677 5.888 9.773 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.531 5.040 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.144 4.641 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.543 4.484 7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.346 5.950 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.286 6.175 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.384 7.569 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.325 7.142 8.715 1.00 0.00 H new ATOM 487 N LYS A 37 -7.992 6.278 11.605 1.00 0.00 N ATOM 488 CA LYS A 37 -7.305 6.665 12.826 1.00 0.00 C ATOM 489 C LYS A 37 -5.927 6.002 12.862 1.00 0.00 C ATOM 490 O LYS A 37 -5.795 4.818 12.555 1.00 0.00 O ATOM 491 CB LYS A 37 -8.170 6.352 14.049 1.00 0.00 C ATOM 492 CG LYS A 37 -9.653 6.573 13.742 1.00 0.00 C ATOM 493 CD LYS A 37 -10.236 5.386 12.973 1.00 0.00 C ATOM 494 CE LYS A 37 -11.599 4.983 13.539 1.00 0.00 C ATOM 495 NZ LYS A 37 -12.679 5.769 12.900 1.00 0.00 N ATOM 0 H LYS A 37 -8.286 5.302 11.572 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.142 7.743 12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.009 5.319 14.358 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.869 6.985 14.884 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.204 6.714 14.672 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.775 7.485 13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.338 5.645 11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.551 4.540 13.028 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.768 3.919 13.373 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.614 5.143 14.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.597 5.483 13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.525 6.782 13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.675 5.595 11.875 1.00 0.00 H new ATOM 509 N ALA A 38 -4.934 6.794 13.240 1.00 0.00 N ATOM 510 CA ALA A 38 -3.570 6.299 13.320 1.00 0.00 C ATOM 511 C ALA A 38 -3.581 4.880 13.893 1.00 0.00 C ATOM 512 O ALA A 38 -3.908 4.681 15.062 1.00 0.00 O ATOM 513 CB ALA A 38 -2.727 7.260 14.159 1.00 0.00 C ATOM 0 H ALA A 38 -5.047 7.775 13.494 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.119 6.251 12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.704 6.889 14.219 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.729 8.246 13.694 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.147 7.331 15.162 1.00 0.00 H new ATOM 519 N GLY A 39 -3.218 3.930 13.043 1.00 0.00 N ATOM 520 CA GLY A 39 -3.182 2.536 13.450 1.00 0.00 C ATOM 521 C GLY A 39 -4.446 1.800 13.000 1.00 0.00 C ATOM 522 O GLY A 39 -4.899 0.873 13.669 1.00 0.00 O ATOM 0 H GLY A 39 -2.946 4.099 12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.304 2.052 13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.086 2.472 14.534 1.00 0.00 H new ATOM 526 N ASP A 40 -4.978 2.241 11.870 1.00 0.00 N ATOM 527 CA ASP A 40 -6.180 1.636 11.323 1.00 0.00 C ATOM 528 C ASP A 40 -5.796 0.683 10.189 1.00 0.00 C ATOM 529 O ASP A 40 -4.793 0.894 9.510 1.00 0.00 O ATOM 530 CB ASP A 40 -7.120 2.699 10.749 1.00 0.00 C ATOM 531 CG ASP A 40 -8.369 2.978 11.588 1.00 0.00 C ATOM 532 OD1 ASP A 40 -8.321 2.668 12.798 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.343 3.496 11.000 1.00 0.00 O ATOM 0 H ASP A 40 -4.599 3.010 11.318 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.686 1.104 12.129 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.564 3.629 10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.432 2.387 9.752 1.00 0.00 H new ATOM 538 N SER A 41 -6.615 -0.345 10.020 1.00 0.00 N ATOM 539 CA SER A 41 -6.373 -1.331 8.980 1.00 0.00 C ATOM 540 C SER A 41 -6.751 -0.754 7.614 1.00 0.00 C ATOM 541 O SER A 41 -7.925 -0.731 7.249 1.00 0.00 O ATOM 542 CB SER A 41 -7.157 -2.617 9.248 1.00 0.00 C ATOM 543 OG SER A 41 -8.428 -2.355 9.836 1.00 0.00 O ATOM 0 H SER A 41 -7.446 -0.516 10.585 1.00 0.00 H new ATOM 0 HA SER A 41 -5.311 -1.577 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.295 -3.159 8.312 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.579 -3.263 9.908 1.00 0.00 H new ATOM 0 HG SER A 41 -8.898 -3.201 9.990 1.00 0.00 H new ATOM 549 N LEU A 42 -5.733 -0.302 6.897 1.00 0.00 N ATOM 550 CA LEU A 42 -5.943 0.273 5.579 1.00 0.00 C ATOM 551 C LEU A 42 -6.310 -0.839 4.595 1.00 0.00 C ATOM 552 O LEU A 42 -7.442 -0.901 4.117 1.00 0.00 O ATOM 553 CB LEU A 42 -4.725 1.095 5.153 1.00 0.00 C ATOM 554 CG LEU A 42 -4.333 2.246 6.082 1.00 0.00 C ATOM 555 CD1 LEU A 42 -2.964 2.814 5.703 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.416 3.326 6.104 1.00 0.00 C ATOM 0 H LEU A 42 -4.760 -0.322 7.204 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.779 0.972 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.872 0.423 5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.917 1.504 4.161 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.249 1.854 7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.709 3.631 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.211 2.030 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.995 3.187 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.112 4.132 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.556 3.721 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.352 2.895 6.458 1.00 0.00 H new ATOM 568 N MET A 43 -5.332 -1.689 4.320 1.00 0.00 N ATOM 569 CA MET A 43 -5.538 -2.795 3.401 1.00 0.00 C ATOM 570 C MET A 43 -4.820 -4.055 3.890 1.00 0.00 C ATOM 571 O MET A 43 -4.121 -4.023 4.901 1.00 0.00 O ATOM 572 CB MET A 43 -5.012 -2.413 2.016 1.00 0.00 C ATOM 573 CG MET A 43 -5.785 -1.223 1.445 1.00 0.00 C ATOM 574 SD MET A 43 -4.711 0.197 1.317 1.00 0.00 S ATOM 575 CE MET A 43 -4.218 0.059 -0.393 1.00 0.00 C ATOM 0 H MET A 43 -4.394 -1.634 4.718 1.00 0.00 H new ATOM 0 HA MET A 43 -6.606 -3.005 3.349 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.952 -2.166 2.081 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.099 -3.265 1.342 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.186 -1.476 0.463 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.635 -0.990 2.086 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.540 0.875 -0.643 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.713 -0.894 -0.550 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.100 0.112 -1.031 1.00 0.00 H new ATOM 585 N VAL A 44 -5.019 -5.136 3.149 1.00 0.00 N ATOM 586 CA VAL A 44 -4.400 -6.404 3.495 1.00 0.00 C ATOM 587 C VAL A 44 -3.624 -6.934 2.287 1.00 0.00 C ATOM 588 O VAL A 44 -4.191 -7.110 1.210 1.00 0.00 O ATOM 589 CB VAL A 44 -5.461 -7.383 4.001 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.876 -8.788 4.167 1.00 0.00 C ATOM 591 CG2 VAL A 44 -6.082 -6.890 5.309 1.00 0.00 C ATOM 0 H VAL A 44 -5.600 -5.159 2.311 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.686 -6.272 4.308 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.252 -7.436 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.651 -9.464 4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.503 -9.143 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.057 -8.759 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.833 -7.604 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.305 -6.794 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.551 -5.920 5.146 1.00 0.00 H new ATOM 601 N MET A 45 -2.340 -7.174 2.507 1.00 0.00 N ATOM 602 CA MET A 45 -1.481 -7.680 1.450 1.00 0.00 C ATOM 603 C MET A 45 -1.146 -9.156 1.676 1.00 0.00 C ATOM 604 O MET A 45 -1.412 -9.700 2.746 1.00 0.00 O ATOM 605 CB MET A 45 -0.188 -6.863 1.407 1.00 0.00 C ATOM 606 CG MET A 45 -0.385 -5.565 0.622 1.00 0.00 C ATOM 607 SD MET A 45 1.124 -4.612 0.630 1.00 0.00 S ATOM 608 CE MET A 45 2.065 -5.511 -0.591 1.00 0.00 C ATOM 0 H MET A 45 -1.873 -7.027 3.402 1.00 0.00 H new ATOM 0 HA MET A 45 -2.010 -7.588 0.502 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.135 -6.633 2.422 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.604 -7.454 0.947 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.677 -5.791 -0.404 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.195 -4.983 1.063 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.898 -4.897 -0.933 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.449 -6.431 -0.150 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.423 -5.755 -1.438 1.00 0.00 H new ATOM 618 N ILE A 46 -0.568 -9.762 0.649 1.00 0.00 N ATOM 619 CA ILE A 46 -0.193 -11.164 0.722 1.00 0.00 C ATOM 620 C ILE A 46 1.261 -11.323 0.275 1.00 0.00 C ATOM 621 O ILE A 46 1.548 -11.344 -0.921 1.00 0.00 O ATOM 622 CB ILE A 46 -1.179 -12.023 -0.073 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.594 -11.902 0.495 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.709 -13.478 -0.138 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.703 -12.606 1.849 1.00 0.00 C ATOM 0 H ILE A 46 -0.350 -9.308 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.251 -11.521 1.750 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.211 -11.649 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.857 -10.850 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.309 -12.337 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.427 -14.067 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.266 -13.524 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.630 -13.880 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.719 -12.505 2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.463 -13.663 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.004 -12.153 2.552 1.00 0.00 H new ATOM 637 N ALA A 47 2.141 -11.430 1.260 1.00 0.00 N ATOM 638 CA ALA A 47 3.559 -11.586 0.983 1.00 0.00 C ATOM 639 C ALA A 47 4.100 -12.779 1.774 1.00 0.00 C ATOM 640 O ALA A 47 3.438 -13.277 2.684 1.00 0.00 O ATOM 641 CB ALA A 47 4.291 -10.285 1.317 1.00 0.00 C ATOM 0 H ALA A 47 1.899 -11.412 2.251 1.00 0.00 H new ATOM 0 HA ALA A 47 3.723 -11.790 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.355 -10.402 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.889 -9.475 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.151 -10.049 2.372 1.00 0.00 H new ATOM 647 N MET A 48 5.297 -13.203 1.398 1.00 0.00 N ATOM 648 CA MET A 48 5.935 -14.328 2.061 1.00 0.00 C ATOM 649 C MET A 48 4.997 -15.536 2.115 1.00 0.00 C ATOM 650 O MET A 48 5.185 -16.437 2.931 1.00 0.00 O ATOM 651 CB MET A 48 6.331 -13.926 3.483 1.00 0.00 C ATOM 652 CG MET A 48 7.690 -13.222 3.495 1.00 0.00 C ATOM 653 SD MET A 48 8.993 -14.406 3.200 1.00 0.00 S ATOM 654 CE MET A 48 10.410 -13.432 3.680 1.00 0.00 C ATOM 0 H MET A 48 5.842 -12.788 0.643 1.00 0.00 H new ATOM 0 HA MET A 48 6.822 -14.605 1.492 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.572 -13.266 3.903 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.370 -14.811 4.118 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.713 -12.445 2.731 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.845 -12.729 4.455 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.144 -13.436 2.874 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.096 -12.407 3.880 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.856 -13.857 4.579 1.00 0.00 H new ATOM 664 N LYS A 49 4.007 -15.516 1.234 1.00 0.00 N ATOM 665 CA LYS A 49 3.040 -16.599 1.171 1.00 0.00 C ATOM 666 C LYS A 49 2.124 -16.531 2.395 1.00 0.00 C ATOM 667 O LYS A 49 1.452 -17.506 2.726 1.00 0.00 O ATOM 668 CB LYS A 49 3.751 -17.944 1.009 1.00 0.00 C ATOM 669 CG LYS A 49 3.616 -18.466 -0.423 1.00 0.00 C ATOM 670 CD LYS A 49 2.420 -19.412 -0.551 1.00 0.00 C ATOM 671 CE LYS A 49 2.449 -20.156 -1.888 1.00 0.00 C ATOM 672 NZ LYS A 49 1.893 -21.519 -1.735 1.00 0.00 N ATOM 0 H LYS A 49 3.854 -14.767 0.558 1.00 0.00 H new ATOM 0 HA LYS A 49 2.406 -16.492 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.806 -17.835 1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.329 -18.669 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.497 -17.628 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.529 -18.987 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.431 -20.130 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.493 -18.845 -0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.874 -19.603 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.473 -20.214 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.920 -22.010 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.459 -22.049 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.909 -21.457 -1.404 1.00 0.00 H new ATOM 686 N MET A 50 2.127 -15.369 3.032 1.00 0.00 N ATOM 687 CA MET A 50 1.305 -15.161 4.212 1.00 0.00 C ATOM 688 C MET A 50 0.445 -13.905 4.066 1.00 0.00 C ATOM 689 O MET A 50 0.498 -13.227 3.041 1.00 0.00 O ATOM 690 CB MET A 50 2.204 -15.025 5.443 1.00 0.00 C ATOM 691 CG MET A 50 2.161 -16.294 6.297 1.00 0.00 C ATOM 692 SD MET A 50 0.675 -16.315 7.285 1.00 0.00 S ATOM 693 CE MET A 50 0.450 -18.076 7.470 1.00 0.00 C ATOM 0 H MET A 50 2.685 -14.562 2.753 1.00 0.00 H new ATOM 0 HA MET A 50 0.644 -16.020 4.328 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.229 -14.828 5.129 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.884 -14.170 6.039 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.194 -17.175 5.656 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.038 -16.337 6.943 1.00 0.00 H new ATOM 0 HE1 MET A 50 -0.442 -18.268 8.067 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.335 -18.533 6.487 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.320 -18.503 7.969 1.00 0.00 H new ATOM 703 N GLU A 51 -0.329 -13.632 5.107 1.00 0.00 N ATOM 704 CA GLU A 51 -1.199 -12.468 5.107 1.00 0.00 C ATOM 705 C GLU A 51 -0.722 -11.449 6.144 1.00 0.00 C ATOM 706 O GLU A 51 -0.328 -11.819 7.248 1.00 0.00 O ATOM 707 CB GLU A 51 -2.653 -12.872 5.364 1.00 0.00 C ATOM 708 CG GLU A 51 -3.432 -11.728 6.016 1.00 0.00 C ATOM 709 CD GLU A 51 -4.895 -12.119 6.238 1.00 0.00 C ATOM 710 OE1 GLU A 51 -5.134 -12.918 7.169 1.00 0.00 O ATOM 711 OE2 GLU A 51 -5.741 -11.608 5.472 1.00 0.00 O ATOM 0 H GLU A 51 -0.372 -14.197 5.955 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.153 -12.003 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.128 -13.151 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.682 -13.750 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.973 -11.467 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.380 -10.841 5.384 1.00 0.00 H new ATOM 718 N HIS A 52 -0.774 -10.185 5.750 1.00 0.00 N ATOM 719 CA HIS A 52 -0.352 -9.109 6.631 1.00 0.00 C ATOM 720 C HIS A 52 -1.388 -7.983 6.599 1.00 0.00 C ATOM 721 O HIS A 52 -2.177 -7.887 5.660 1.00 0.00 O ATOM 722 CB HIS A 52 1.055 -8.630 6.269 1.00 0.00 C ATOM 723 CG HIS A 52 1.937 -9.705 5.679 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.269 -10.861 6.364 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.550 -9.787 4.464 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.048 -11.599 5.586 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.221 -10.931 4.409 1.00 0.00 N ATOM 0 H HIS A 52 -1.102 -9.882 4.833 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.296 -9.475 7.656 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.976 -7.808 5.557 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.534 -8.232 7.164 1.00 0.00 H new ATOM 0 HD1 HIS A 52 1.966 -11.104 7.307 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.498 -9.047 3.679 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.471 -12.560 5.839 1.00 0.00 H new ATOM 735 N THR A 53 -1.352 -7.159 7.636 1.00 0.00 N ATOM 736 CA THR A 53 -2.278 -6.044 7.738 1.00 0.00 C ATOM 737 C THR A 53 -1.512 -4.722 7.824 1.00 0.00 C ATOM 738 O THR A 53 -0.913 -4.413 8.853 1.00 0.00 O ATOM 739 CB THR A 53 -3.191 -6.296 8.940 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.713 -7.602 8.711 1.00 0.00 O ATOM 741 CG2 THR A 53 -4.427 -5.395 8.935 1.00 0.00 C ATOM 0 H THR A 53 -0.696 -7.241 8.413 1.00 0.00 H new ATOM 0 HA THR A 53 -2.902 -5.965 6.848 1.00 0.00 H new ATOM 0 HB THR A 53 -2.630 -6.138 9.861 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.315 -7.847 9.445 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.041 -5.614 9.809 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.116 -4.351 8.963 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.006 -5.577 8.030 1.00 0.00 H new ATOM 749 N ILE A 54 -1.557 -3.977 6.729 1.00 0.00 N ATOM 750 CA ILE A 54 -0.875 -2.696 6.667 1.00 0.00 C ATOM 751 C ILE A 54 -1.628 -1.681 7.530 1.00 0.00 C ATOM 752 O ILE A 54 -2.786 -1.366 7.257 1.00 0.00 O ATOM 753 CB ILE A 54 -0.696 -2.254 5.213 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.451 -3.016 4.546 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.507 -0.739 5.120 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.016 -4.430 4.156 1.00 0.00 C ATOM 0 H ILE A 54 -2.055 -4.236 5.878 1.00 0.00 H new ATOM 0 HA ILE A 54 0.132 -2.780 7.077 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.607 -2.499 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.784 -2.476 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.302 -3.068 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.382 -0.451 4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.382 -0.237 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.378 -0.447 5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.850 -4.950 3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.293 -4.975 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.819 -4.374 3.458 1.00 0.00 H new ATOM 768 N LYS A 55 -0.940 -1.196 8.553 1.00 0.00 N ATOM 769 CA LYS A 55 -1.529 -0.223 9.457 1.00 0.00 C ATOM 770 C LYS A 55 -1.207 1.188 8.961 1.00 0.00 C ATOM 771 O LYS A 55 -0.223 1.391 8.250 1.00 0.00 O ATOM 772 CB LYS A 55 -1.078 -0.486 10.895 1.00 0.00 C ATOM 773 CG LYS A 55 -1.672 -1.793 11.425 1.00 0.00 C ATOM 774 CD LYS A 55 -2.873 -1.520 12.334 1.00 0.00 C ATOM 775 CE LYS A 55 -3.731 -2.776 12.500 1.00 0.00 C ATOM 776 NZ LYS A 55 -3.719 -3.229 13.909 1.00 0.00 N ATOM 0 H LYS A 55 0.020 -1.459 8.776 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.615 -0.319 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.010 -0.534 10.936 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.385 0.342 11.534 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.979 -2.422 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.911 -2.345 11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.525 -1.181 13.310 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.477 -0.716 11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.754 -2.569 12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.355 -3.569 11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.306 -4.082 14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.743 -3.446 14.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.099 -2.477 14.519 1.00 0.00 H new ATOM 790 N SER A 56 -2.055 2.127 9.354 1.00 0.00 N ATOM 791 CA SER A 56 -1.873 3.513 8.958 1.00 0.00 C ATOM 792 C SER A 56 -0.707 4.130 9.733 1.00 0.00 C ATOM 793 O SER A 56 -0.530 3.855 10.919 1.00 0.00 O ATOM 794 CB SER A 56 -3.150 4.324 9.187 1.00 0.00 C ATOM 795 OG SER A 56 -3.264 5.411 8.273 1.00 0.00 O ATOM 0 H SER A 56 -2.870 1.955 9.943 1.00 0.00 H new ATOM 0 HA SER A 56 -1.646 3.537 7.892 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.017 3.671 9.084 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.158 4.706 10.208 1.00 0.00 H new ATOM 0 HG SER A 56 -3.119 6.255 8.749 1.00 0.00 H new ATOM 801 N PRO A 57 0.079 4.975 9.013 1.00 0.00 N ATOM 802 CA PRO A 57 1.223 5.633 9.620 1.00 0.00 C ATOM 803 C PRO A 57 0.776 6.775 10.536 1.00 0.00 C ATOM 804 O PRO A 57 1.461 7.103 11.504 1.00 0.00 O ATOM 805 CB PRO A 57 2.071 6.107 8.451 1.00 0.00 C ATOM 806 CG PRO A 57 1.149 6.110 7.242 1.00 0.00 C ATOM 807 CD PRO A 57 -0.100 5.324 7.607 1.00 0.00 C ATOM 0 HA PRO A 57 1.796 4.968 10.267 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.473 7.103 8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.922 5.445 8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.889 7.131 6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.645 5.660 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.000 5.920 7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.202 4.433 6.988 1.00 0.00 H new ATOM 815 N LYS A 58 -0.369 7.348 10.198 1.00 0.00 N ATOM 816 CA LYS A 58 -0.915 8.446 10.978 1.00 0.00 C ATOM 817 C LYS A 58 -2.369 8.684 10.567 1.00 0.00 C ATOM 818 O LYS A 58 -2.838 8.124 9.577 1.00 0.00 O ATOM 819 CB LYS A 58 -0.029 9.686 10.851 1.00 0.00 C ATOM 820 CG LYS A 58 -0.083 10.256 9.432 1.00 0.00 C ATOM 821 CD LYS A 58 1.142 11.125 9.143 1.00 0.00 C ATOM 822 CE LYS A 58 0.781 12.294 8.224 1.00 0.00 C ATOM 823 NZ LYS A 58 2.005 12.948 7.712 1.00 0.00 N ATOM 0 H LYS A 58 -0.934 7.073 9.395 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.920 8.194 12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.354 10.444 11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.000 9.430 11.105 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.133 9.441 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.990 10.847 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.551 11.506 10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.920 10.520 8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.177 11.936 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.175 13.018 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.742 13.739 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.567 13.307 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.568 12.258 7.175 1.00 0.00 H new ATOM 837 N ASP A 59 -3.043 9.517 11.347 1.00 0.00 N ATOM 838 CA ASP A 59 -4.434 9.836 11.076 1.00 0.00 C ATOM 839 C ASP A 59 -4.507 10.843 9.926 1.00 0.00 C ATOM 840 O ASP A 59 -3.639 11.705 9.795 1.00 0.00 O ATOM 841 CB ASP A 59 -5.103 10.466 12.299 1.00 0.00 C ATOM 842 CG ASP A 59 -4.223 11.437 13.090 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.342 10.937 13.822 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.451 12.657 12.943 1.00 0.00 O ATOM 0 H ASP A 59 -2.651 9.981 12.167 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.949 8.910 10.821 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.998 10.995 11.972 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.429 9.669 12.967 1.00 0.00 H new ATOM 849 N GLY A 60 -5.551 10.702 9.123 1.00 0.00 N ATOM 850 CA GLY A 60 -5.749 11.588 7.989 1.00 0.00 C ATOM 851 C GLY A 60 -6.926 11.124 7.129 1.00 0.00 C ATOM 852 O GLY A 60 -7.496 10.061 7.372 1.00 0.00 O ATOM 0 H GLY A 60 -6.269 9.987 9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.931 12.603 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.842 11.619 7.385 1.00 0.00 H new ATOM 856 N THR A 61 -7.255 11.943 6.141 1.00 0.00 N ATOM 857 CA THR A 61 -8.353 11.629 5.243 1.00 0.00 C ATOM 858 C THR A 61 -7.821 11.044 3.934 1.00 0.00 C ATOM 859 O THR A 61 -7.236 11.759 3.122 1.00 0.00 O ATOM 860 CB THR A 61 -9.182 12.901 5.048 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.676 13.197 6.351 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.444 12.656 4.218 1.00 0.00 C ATOM 0 H THR A 61 -6.780 12.824 5.943 1.00 0.00 H new ATOM 0 HA THR A 61 -9.002 10.862 5.665 1.00 0.00 H new ATOM 0 HB THR A 61 -8.570 13.662 4.563 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.223 14.009 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.995 13.590 4.110 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.165 12.283 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.072 11.920 4.720 1.00 0.00 H new ATOM 870 N VAL A 62 -8.044 9.748 3.769 1.00 0.00 N ATOM 871 CA VAL A 62 -7.594 9.058 2.572 1.00 0.00 C ATOM 872 C VAL A 62 -8.013 9.860 1.338 1.00 0.00 C ATOM 873 O VAL A 62 -9.169 9.805 0.921 1.00 0.00 O ATOM 874 CB VAL A 62 -8.128 7.624 2.562 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.848 6.944 1.221 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.544 6.814 3.721 1.00 0.00 C ATOM 0 H VAL A 62 -8.530 9.158 4.444 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.506 8.986 2.559 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.209 7.668 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.238 5.926 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.334 7.503 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.773 6.917 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.940 5.799 3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.458 6.783 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.818 7.282 4.666 1.00 0.00 H new ATOM 886 N LYS A 63 -7.051 10.587 0.789 1.00 0.00 N ATOM 887 CA LYS A 63 -7.305 11.400 -0.388 1.00 0.00 C ATOM 888 C LYS A 63 -7.803 10.503 -1.524 1.00 0.00 C ATOM 889 O LYS A 63 -8.929 10.659 -1.995 1.00 0.00 O ATOM 890 CB LYS A 63 -6.066 12.220 -0.751 1.00 0.00 C ATOM 891 CG LYS A 63 -6.345 13.135 -1.946 1.00 0.00 C ATOM 892 CD LYS A 63 -5.258 14.202 -2.084 1.00 0.00 C ATOM 893 CE LYS A 63 -4.895 14.428 -3.553 1.00 0.00 C ATOM 894 NZ LYS A 63 -5.287 15.790 -3.981 1.00 0.00 N ATOM 0 H LYS A 63 -6.094 10.630 1.138 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.092 12.127 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.758 12.819 0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.239 11.551 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.395 12.542 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.316 13.614 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.603 15.137 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.371 13.896 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.823 14.291 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.396 13.687 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.033 15.926 -4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.314 15.908 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.790 16.494 -3.399 1.00 0.00 H new ATOM 908 N LYS A 64 -6.941 9.583 -1.930 1.00 0.00 N ATOM 909 CA LYS A 64 -7.279 8.661 -3.001 1.00 0.00 C ATOM 910 C LYS A 64 -6.380 7.426 -2.908 1.00 0.00 C ATOM 911 O LYS A 64 -5.215 7.530 -2.527 1.00 0.00 O ATOM 912 CB LYS A 64 -7.215 9.368 -4.356 1.00 0.00 C ATOM 913 CG LYS A 64 -7.208 8.355 -5.503 1.00 0.00 C ATOM 914 CD LYS A 64 -5.791 8.146 -6.041 1.00 0.00 C ATOM 915 CE LYS A 64 -5.737 8.389 -7.551 1.00 0.00 C ATOM 916 NZ LYS A 64 -5.086 9.686 -7.844 1.00 0.00 N ATOM 0 H LYS A 64 -6.009 9.456 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.307 8.315 -2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.069 10.037 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.318 9.986 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.613 7.404 -5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.858 8.704 -6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.102 8.823 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.460 7.131 -5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.188 7.582 -8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.746 8.380 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.638 10.197 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.039 10.255 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.124 9.519 -8.201 1.00 0.00 H new ATOM 930 N VAL A 65 -6.955 6.287 -3.264 1.00 0.00 N ATOM 931 CA VAL A 65 -6.220 5.034 -3.226 1.00 0.00 C ATOM 932 C VAL A 65 -5.565 4.790 -4.587 1.00 0.00 C ATOM 933 O VAL A 65 -6.165 5.062 -5.626 1.00 0.00 O ATOM 934 CB VAL A 65 -7.147 3.896 -2.795 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.373 2.585 -2.644 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.886 4.249 -1.503 1.00 0.00 C ATOM 0 H VAL A 65 -7.921 6.205 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.422 5.082 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.892 3.757 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.056 1.793 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.916 2.321 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.595 2.706 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.538 3.423 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.163 4.430 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.485 5.146 -1.660 1.00 0.00 H new ATOM 946 N PHE A 66 -4.344 4.279 -4.538 1.00 0.00 N ATOM 947 CA PHE A 66 -3.602 3.996 -5.754 1.00 0.00 C ATOM 948 C PHE A 66 -3.664 2.506 -6.100 1.00 0.00 C ATOM 949 O PHE A 66 -3.760 2.141 -7.270 1.00 0.00 O ATOM 950 CB PHE A 66 -2.146 4.385 -5.491 1.00 0.00 C ATOM 951 CG PHE A 66 -1.903 5.895 -5.448 1.00 0.00 C ATOM 952 CD1 PHE A 66 -2.459 6.700 -6.393 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.132 6.433 -4.465 1.00 0.00 C ATOM 954 CE1 PHE A 66 -2.234 8.101 -6.354 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.908 7.834 -4.426 1.00 0.00 C ATOM 956 CZ PHE A 66 -1.463 8.639 -5.371 1.00 0.00 C ATOM 0 H PHE A 66 -3.850 4.054 -3.675 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.028 4.554 -6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.830 3.949 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.518 3.948 -6.268 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.072 6.273 -7.173 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.690 5.794 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.675 8.740 -7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.296 8.261 -3.645 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.292 9.705 -5.341 1.00 0.00 H new ATOM 966 N TYR A 67 -3.607 1.687 -5.060 1.00 0.00 N ATOM 967 CA TYR A 67 -3.656 0.246 -5.239 1.00 0.00 C ATOM 968 C TYR A 67 -5.019 -0.312 -4.824 1.00 0.00 C ATOM 969 O TYR A 67 -5.662 0.219 -3.920 1.00 0.00 O ATOM 970 CB TYR A 67 -2.580 -0.330 -4.316 1.00 0.00 C ATOM 971 CG TYR A 67 -1.174 -0.323 -4.920 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.410 0.826 -4.877 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.670 -1.465 -5.507 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.913 0.832 -5.445 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.653 -1.459 -6.075 1.00 0.00 C ATOM 976 CZ TYR A 67 1.379 -0.310 -6.016 1.00 0.00 C ATOM 977 OH TYR A 67 2.629 -0.304 -6.553 1.00 0.00 O ATOM 0 H TYR A 67 -3.527 1.994 -4.091 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.495 -0.017 -6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.568 0.241 -3.388 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.848 -1.354 -4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.805 1.720 -4.417 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.268 -2.364 -5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.521 1.724 -5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.060 -2.346 -6.537 1.00 0.00 H new ATOM 0 HH TYR A 67 3.191 0.333 -6.065 1.00 0.00 H new ATOM 987 N ARG A 68 -5.419 -1.376 -5.504 1.00 0.00 N ATOM 988 CA ARG A 68 -6.694 -2.012 -5.217 1.00 0.00 C ATOM 989 C ARG A 68 -6.516 -3.527 -5.096 1.00 0.00 C ATOM 990 O ARG A 68 -5.413 -4.042 -5.272 1.00 0.00 O ATOM 991 CB ARG A 68 -7.718 -1.711 -6.313 1.00 0.00 C ATOM 992 CG ARG A 68 -7.982 -0.208 -6.420 1.00 0.00 C ATOM 993 CD ARG A 68 -9.262 0.069 -7.212 1.00 0.00 C ATOM 994 NE ARG A 68 -9.531 1.524 -7.244 1.00 0.00 N ATOM 995 CZ ARG A 68 -10.199 2.186 -6.289 1.00 0.00 C ATOM 996 NH1 ARG A 68 -10.669 1.527 -5.221 1.00 0.00 N ATOM 997 NH2 ARG A 68 -10.397 3.506 -6.402 1.00 0.00 N ATOM 0 H ARG A 68 -4.883 -1.814 -6.253 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.061 -1.610 -4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.355 -2.089 -7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.650 -2.233 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.067 0.222 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.137 0.280 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.161 -0.313 -8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.102 -0.455 -6.756 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.186 2.056 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.518 0.522 -5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.177 2.031 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.039 4.008 -7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.905 4.010 -5.675 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.618 -4.197 -4.796 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.598 -5.643 -4.649 1.00 0.00 C ATOM 1013 C GLU A 69 -7.050 -6.298 -5.919 1.00 0.00 C ATOM 1014 O GLU A 69 -7.507 -6.002 -7.021 1.00 0.00 O ATOM 1015 CB GLU A 69 -8.991 -6.180 -4.314 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.589 -5.441 -3.114 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.062 -5.106 -3.356 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.853 -6.068 -3.463 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.364 -3.895 -3.428 1.00 0.00 O ATOM 0 H GLU A 69 -8.531 -3.766 -4.651 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.938 -5.895 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.646 -6.068 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.931 -7.246 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.494 -6.056 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.029 -4.524 -2.931 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.077 -7.175 -5.720 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.461 -7.874 -6.835 1.00 0.00 C ATOM 1028 C GLY A 70 -4.400 -7.003 -7.511 1.00 0.00 C ATOM 1029 O GLY A 70 -4.135 -7.153 -8.702 1.00 0.00 O ATOM 0 H GLY A 70 -5.700 -7.417 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.006 -8.799 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.225 -8.152 -7.561 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.823 -6.110 -6.720 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.797 -5.214 -7.226 1.00 0.00 C ATOM 1035 C ALA A 71 -1.425 -5.700 -6.756 1.00 0.00 C ATOM 1036 O ALA A 71 -1.294 -6.235 -5.656 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.097 -3.785 -6.770 1.00 0.00 C ATOM 0 H ALA A 71 -4.047 -5.988 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.791 -5.214 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.327 -3.113 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.069 -3.477 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.108 -3.745 -5.681 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.435 -5.496 -7.614 1.00 0.00 N ATOM 1044 CA GLN A 72 0.923 -5.907 -7.300 1.00 0.00 C ATOM 1045 C GLN A 72 1.774 -4.690 -6.930 1.00 0.00 C ATOM 1046 O GLN A 72 2.078 -3.859 -7.784 1.00 0.00 O ATOM 1047 CB GLN A 72 1.546 -6.678 -8.466 1.00 0.00 C ATOM 1048 CG GLN A 72 3.068 -6.747 -8.326 1.00 0.00 C ATOM 1049 CD GLN A 72 3.602 -8.095 -8.817 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.917 -8.280 -9.981 1.00 0.00 O ATOM 1051 NE2 GLN A 72 3.687 -9.021 -7.866 1.00 0.00 N ATOM 0 H GLN A 72 -0.547 -5.052 -8.525 1.00 0.00 H new ATOM 0 HA GLN A 72 0.890 -6.577 -6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.134 -7.687 -8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.285 -6.194 -9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.527 -5.940 -8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.348 -6.598 -7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.406 -8.799 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.033 -9.954 -8.092 1.00 0.00 H new ATOM 1060 N ALA A 73 2.133 -4.624 -5.657 1.00 0.00 N ATOM 1061 CA ALA A 73 2.942 -3.523 -5.164 1.00 0.00 C ATOM 1062 C ALA A 73 4.386 -3.997 -4.984 1.00 0.00 C ATOM 1063 O ALA A 73 4.651 -5.198 -4.968 1.00 0.00 O ATOM 1064 CB ALA A 73 2.338 -2.988 -3.864 1.00 0.00 C ATOM 0 H ALA A 73 1.878 -5.315 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 73 2.951 -2.702 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.945 -2.162 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.323 -2.637 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.315 -3.783 -3.119 1.00 0.00 H new ATOM 1070 N ASN A 74 5.281 -3.029 -4.855 1.00 0.00 N ATOM 1071 CA ASN A 74 6.691 -3.332 -4.677 1.00 0.00 C ATOM 1072 C ASN A 74 7.136 -2.873 -3.287 1.00 0.00 C ATOM 1073 O ASN A 74 6.404 -2.161 -2.601 1.00 0.00 O ATOM 1074 CB ASN A 74 7.546 -2.600 -5.713 1.00 0.00 C ATOM 1075 CG ASN A 74 8.164 -3.585 -6.708 1.00 0.00 C ATOM 1076 OD1 ASN A 74 7.484 -4.369 -7.349 1.00 0.00 O ATOM 1077 ND2 ASN A 74 9.488 -3.500 -6.800 1.00 0.00 N ATOM 0 H ASN A 74 5.057 -2.034 -4.870 1.00 0.00 H new ATOM 0 HA ASN A 74 6.822 -4.408 -4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.934 -1.874 -6.247 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.336 -2.042 -5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.995 -4.114 -7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.996 -2.820 -6.234 1.00 0.00 H new ATOM 1084 N ARG A 75 8.333 -3.300 -2.913 1.00 0.00 N ATOM 1085 CA ARG A 75 8.884 -2.941 -1.617 1.00 0.00 C ATOM 1086 C ARG A 75 9.123 -1.432 -1.541 1.00 0.00 C ATOM 1087 O ARG A 75 9.986 -0.901 -2.238 1.00 0.00 O ATOM 1088 CB ARG A 75 10.202 -3.673 -1.358 1.00 0.00 C ATOM 1089 CG ARG A 75 10.049 -5.178 -1.590 1.00 0.00 C ATOM 1090 CD ARG A 75 11.337 -5.922 -1.233 1.00 0.00 C ATOM 1091 NE ARG A 75 12.359 -5.697 -2.280 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.501 -6.392 -2.377 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.774 -7.358 -1.490 1.00 0.00 N ATOM 1094 NH2 ARG A 75 14.369 -6.119 -3.360 1.00 0.00 N ATOM 0 H ARG A 75 8.937 -3.891 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 75 8.162 -3.236 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.977 -3.277 -2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.528 -3.491 -0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.225 -5.560 -0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.794 -5.365 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.710 -5.577 -0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.135 -6.989 -1.134 1.00 0.00 H new ATOM 0 HE ARG A 75 12.183 -4.967 -2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.113 -7.564 -0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.643 -7.887 -1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.161 -5.383 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.238 -6.648 -3.434 1.00 0.00 H new ATOM 1108 N HIS A 76 8.343 -0.784 -0.689 1.00 0.00 N ATOM 1109 CA HIS A 76 8.460 0.654 -0.512 1.00 0.00 C ATOM 1110 C HIS A 76 7.746 1.371 -1.660 1.00 0.00 C ATOM 1111 O HIS A 76 8.382 2.054 -2.461 1.00 0.00 O ATOM 1112 CB HIS A 76 9.926 1.068 -0.375 1.00 0.00 C ATOM 1113 CG HIS A 76 10.234 1.830 0.891 1.00 0.00 C ATOM 1114 ND1 HIS A 76 11.113 2.898 0.929 1.00 0.00 N ATOM 1115 CD2 HIS A 76 9.770 1.668 2.164 1.00 0.00 C ATOM 1116 CE1 HIS A 76 11.169 3.350 2.173 1.00 0.00 C ATOM 1117 NE2 HIS A 76 10.336 2.586 2.937 1.00 0.00 N ATOM 0 H HIS A 76 7.627 -1.228 -0.113 1.00 0.00 H new ATOM 0 HA HIS A 76 7.972 0.951 0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.550 0.175 -0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.201 1.682 -1.232 1.00 0.00 H new ATOM 0 HD2 HIS A 76 9.062 0.919 2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.769 4.178 2.521 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.175 2.701 3.938 1.00 0.00 H new ATOM 1125 N THR A 77 6.434 1.191 -1.703 1.00 0.00 N ATOM 1126 CA THR A 77 5.627 1.812 -2.739 1.00 0.00 C ATOM 1127 C THR A 77 4.399 2.488 -2.125 1.00 0.00 C ATOM 1128 O THR A 77 3.947 2.102 -1.048 1.00 0.00 O ATOM 1129 CB THR A 77 5.277 0.740 -3.772 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.849 -0.371 -2.989 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.508 0.219 -4.516 1.00 0.00 C ATOM 0 H THR A 77 5.910 0.624 -1.037 1.00 0.00 H new ATOM 0 HA THR A 77 6.177 2.605 -3.246 1.00 0.00 H new ATOM 0 HB THR A 77 4.565 1.147 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.428 -1.141 -3.170 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.203 -0.540 -5.237 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.993 1.043 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.206 -0.218 -3.802 1.00 0.00 H new ATOM 1139 N PRO A 78 3.881 3.512 -2.855 1.00 0.00 N ATOM 1140 CA PRO A 78 2.715 4.245 -2.394 1.00 0.00 C ATOM 1141 C PRO A 78 1.440 3.421 -2.582 1.00 0.00 C ATOM 1142 O PRO A 78 1.099 3.044 -3.702 1.00 0.00 O ATOM 1143 CB PRO A 78 2.714 5.533 -3.203 1.00 0.00 C ATOM 1144 CG PRO A 78 3.605 5.269 -4.406 1.00 0.00 C ATOM 1145 CD PRO A 78 4.391 3.997 -4.135 1.00 0.00 C ATOM 0 HA PRO A 78 2.749 4.461 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.704 5.797 -3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.093 6.366 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.004 5.161 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.281 6.108 -4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.240 3.262 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.462 4.196 -4.085 1.00 0.00 H new ATOM 1153 N LEU A 79 0.769 3.166 -1.468 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.461 2.393 -1.495 1.00 0.00 C ATOM 1155 C LEU A 79 -1.658 3.346 -1.475 1.00 0.00 C ATOM 1156 O LEU A 79 -2.496 3.315 -2.375 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.474 1.366 -0.361 1.00 0.00 C ATOM 1158 CG LEU A 79 0.707 0.394 -0.324 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.822 -0.277 1.047 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.611 -0.630 -1.456 1.00 0.00 C ATOM 0 H LEU A 79 1.054 3.481 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.528 1.816 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.508 1.902 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.394 0.786 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 79 1.623 0.964 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.669 -0.963 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.972 0.484 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.093 -0.830 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.463 -1.308 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.313 -1.199 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.615 -0.113 -2.416 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.699 4.171 -0.439 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.779 5.132 -0.290 1.00 0.00 C ATOM 1174 C VAL A 80 -2.189 6.533 -0.118 1.00 0.00 C ATOM 1175 O VAL A 80 -1.068 6.684 0.366 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.689 4.720 0.869 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.599 3.558 0.466 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.869 4.368 2.112 1.00 0.00 C ATOM 0 H VAL A 80 -1.002 4.194 0.305 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.402 5.149 -1.185 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.323 5.572 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.235 3.285 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.222 3.859 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.989 2.701 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.540 4.079 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.199 3.540 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.283 5.235 2.419 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.970 7.523 -0.524 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.539 8.907 -0.421 1.00 0.00 C ATOM 1190 C GLU A 81 -3.357 9.640 0.644 1.00 0.00 C ATOM 1191 O GLU A 81 -4.470 9.228 0.970 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.641 9.615 -1.774 1.00 0.00 C ATOM 1193 CG GLU A 81 -2.000 11.002 -1.716 1.00 0.00 C ATOM 1194 CD GLU A 81 -1.409 11.390 -3.073 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -0.250 10.993 -3.322 1.00 0.00 O ATOM 1196 OE2 GLU A 81 -2.129 12.074 -3.831 1.00 0.00 O ATOM 0 H GLU A 81 -3.899 7.394 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.492 8.919 -0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.150 9.015 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.688 9.706 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.745 11.739 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.217 11.013 -0.958 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.774 10.713 1.157 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.435 11.507 2.179 1.00 0.00 C ATOM 1205 C PHE A 82 -3.777 12.903 1.653 1.00 0.00 C ATOM 1206 O PHE A 82 -3.103 13.417 0.762 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.454 11.641 3.346 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.393 10.409 4.251 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.541 9.789 4.635 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.190 9.934 4.672 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.483 8.646 5.476 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.132 8.791 5.512 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.280 8.171 5.896 1.00 0.00 C ATOM 0 H PHE A 82 -1.851 11.051 0.884 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.364 11.024 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.458 11.838 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.735 12.507 3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.496 10.166 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.279 10.427 4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.394 8.154 5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.177 8.414 5.846 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.236 7.301 6.535 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.825 13.476 2.227 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.265 14.802 1.827 1.00 0.00 C ATOM 1225 C GLU A 83 -4.245 15.854 2.268 1.00 0.00 C ATOM 1226 O GLU A 83 -3.391 15.582 3.110 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.652 15.113 2.392 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.751 14.655 1.430 1.00 0.00 C ATOM 1229 CD GLU A 83 -8.089 15.755 0.421 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -7.946 16.937 0.801 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.483 15.389 -0.707 1.00 0.00 O ATOM 0 H GLU A 83 -5.382 13.046 2.966 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.338 14.827 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.776 14.617 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.744 16.184 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.426 13.759 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.644 14.387 1.994 1.00 0.00 H new