USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 449 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 12 MET CE :methyl -140:sc= -0.0977 (180deg=-0.293) USER MOD Set 1.2: A 20 GLN : amide:sc= -0.0744 X(o=-0.17,f=-0.25) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00289 USER MOD Single : A 22 HIS : no HD1:sc= -3.17 X(o=-3.2,f=-3.6!) USER MOD Single : A 25 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.19) USER MOD Single : A 30 ASN : amide:sc= 0.621 K(o=0.62,f=-0.12) USER MOD Single : A 32 LYS NZ :NH3+ -138:sc= -0.757 (180deg=-2.38!) USER MOD Single : A 33 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 SER OG : rot -109:sc= 0.385 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 41 GLN : amide:sc= -0.702 X(o=-0.7,f=-0.68) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= 0.357 (180deg=0.0165) USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0.0044 (180deg=0.00195) USER MOD Single : A 57 TYR OH : rot -13:sc= 0.021 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -0.953 1.466 -8.563 1.00 0.00 N ATOM 130 CA PRO A 11 -1.523 2.112 -7.377 1.00 0.00 C ATOM 131 C PRO A 11 -1.368 3.629 -7.412 1.00 0.00 C ATOM 132 O PRO A 11 -0.994 4.200 -8.436 1.00 0.00 O ATOM 133 CB PRO A 11 -0.710 1.518 -6.224 1.00 0.00 C ATOM 134 CG PRO A 11 0.586 1.119 -6.840 1.00 0.00 C ATOM 135 CD PRO A 11 0.263 0.698 -8.247 1.00 0.00 C ATOM 0 HA PRO A 11 -2.596 1.938 -7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.562 2.247 -5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.218 0.661 -5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.293 1.949 -6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.047 0.303 -6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.076 0.933 -8.933 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.089 -0.376 -8.315 1.00 0.00 H new ATOM 143 N MET A 12 -1.658 4.275 -6.287 1.00 0.00 N ATOM 144 CA MET A 12 -1.548 5.726 -6.190 1.00 0.00 C ATOM 145 C MET A 12 -0.117 6.182 -6.456 1.00 0.00 C ATOM 146 O MET A 12 0.821 5.731 -5.798 1.00 0.00 O ATOM 147 CB MET A 12 -1.998 6.201 -4.807 1.00 0.00 C ATOM 148 CG MET A 12 -3.433 5.825 -4.473 1.00 0.00 C ATOM 149 SD MET A 12 -3.873 6.212 -2.767 1.00 0.00 S ATOM 150 CE MET A 12 -4.275 7.952 -2.908 1.00 0.00 C ATOM 0 H MET A 12 -1.971 3.817 -5.431 1.00 0.00 H new ATOM 0 HA MET A 12 -2.197 6.166 -6.947 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.335 5.777 -4.053 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.893 7.284 -4.752 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.109 6.352 -5.147 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.575 4.759 -4.648 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.889 8.486 -2.040 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.824 8.357 -3.814 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.357 8.073 -2.956 1.00 0.00 H new ATOM 160 N SER A 13 0.043 7.078 -7.425 1.00 0.00 N ATOM 161 CA SER A 13 1.360 7.592 -7.780 1.00 0.00 C ATOM 162 C SER A 13 1.593 8.966 -7.160 1.00 0.00 C ATOM 163 O SER A 13 0.694 9.544 -6.550 1.00 0.00 O ATOM 164 CB SER A 13 1.505 7.675 -9.301 1.00 0.00 C ATOM 165 OG SER A 13 1.573 6.383 -9.879 1.00 0.00 O ATOM 0 H SER A 13 -0.723 7.463 -7.978 1.00 0.00 H new ATOM 0 HA SER A 13 2.109 6.904 -7.387 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.660 8.220 -9.721 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.404 8.237 -9.553 1.00 0.00 H new ATOM 0 HG SER A 13 1.664 6.464 -10.851 1.00 0.00 H new ATOM 171 N ALA A 14 2.807 9.483 -7.320 1.00 0.00 N ATOM 172 CA ALA A 14 3.159 10.789 -6.778 1.00 0.00 C ATOM 173 C ALA A 14 2.182 11.861 -7.250 1.00 0.00 C ATOM 174 O ALA A 14 2.133 12.958 -6.694 1.00 0.00 O ATOM 175 CB ALA A 14 4.581 11.159 -7.172 1.00 0.00 C ATOM 0 H ALA A 14 3.563 9.017 -7.821 1.00 0.00 H new ATOM 0 HA ALA A 14 3.098 10.731 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.830 12.137 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.273 10.413 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.661 11.192 -8.259 1.00 0.00 H new ATOM 181 N SER A 15 1.405 11.535 -8.278 1.00 0.00 N ATOM 182 CA SER A 15 0.432 12.472 -8.827 1.00 0.00 C ATOM 183 C SER A 15 -0.920 12.317 -8.138 1.00 0.00 C ATOM 184 O SER A 15 -1.551 13.302 -7.756 1.00 0.00 O ATOM 185 CB SER A 15 0.277 12.254 -10.334 1.00 0.00 C ATOM 186 OG SER A 15 0.041 10.888 -10.630 1.00 0.00 O ATOM 0 H SER A 15 1.430 10.630 -8.747 1.00 0.00 H new ATOM 0 HA SER A 15 0.797 13.483 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.549 12.859 -10.709 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.177 12.590 -10.848 1.00 0.00 H new ATOM 0 HG SER A 15 -0.056 10.775 -11.599 1.00 0.00 H new ATOM 192 N ALA A 16 -1.359 11.072 -7.983 1.00 0.00 N ATOM 193 CA ALA A 16 -2.635 10.787 -7.338 1.00 0.00 C ATOM 194 C ALA A 16 -2.642 11.276 -5.893 1.00 0.00 C ATOM 195 O ALA A 16 -3.592 11.923 -5.450 1.00 0.00 O ATOM 196 CB ALA A 16 -2.932 9.296 -7.393 1.00 0.00 C ATOM 0 H ALA A 16 -0.850 10.245 -8.295 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.415 11.323 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.888 9.097 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.979 8.972 -8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.143 8.749 -6.878 1.00 0.00 H new ATOM 202 N LEU A 17 -1.577 10.964 -5.163 1.00 0.00 N ATOM 203 CA LEU A 17 -1.460 11.372 -3.767 1.00 0.00 C ATOM 204 C LEU A 17 -1.662 12.877 -3.621 1.00 0.00 C ATOM 205 O LEU A 17 -2.465 13.329 -2.805 1.00 0.00 O ATOM 206 CB LEU A 17 -0.092 10.973 -3.212 1.00 0.00 C ATOM 207 CG LEU A 17 0.186 9.472 -3.127 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.677 9.213 -2.975 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.585 8.851 -1.971 1.00 0.00 C ATOM 0 H LEU A 17 -0.782 10.430 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.238 10.863 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.678 11.430 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.011 11.398 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.150 9.007 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.856 8.139 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.207 9.622 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.038 9.691 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.375 7.782 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.280 9.321 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.653 9.005 -2.122 1.00 0.00 H new ATOM 221 N PHE A 18 -0.928 13.647 -4.418 1.00 0.00 N ATOM 222 CA PHE A 18 -1.028 15.101 -4.378 1.00 0.00 C ATOM 223 C PHE A 18 -2.472 15.554 -4.575 1.00 0.00 C ATOM 224 O PHE A 18 -2.883 16.595 -4.064 1.00 0.00 O ATOM 225 CB PHE A 18 -0.135 15.724 -5.453 1.00 0.00 C ATOM 226 CG PHE A 18 -0.274 17.216 -5.557 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.348 17.780 -6.226 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.670 18.055 -4.987 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.479 19.153 -6.324 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.544 19.428 -5.081 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.531 19.978 -5.751 1.00 0.00 C ATOM 0 H PHE A 18 -0.258 13.288 -5.099 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.692 15.436 -3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.905 15.478 -5.238 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.375 15.277 -6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.092 17.140 -6.676 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.514 17.631 -4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.321 19.580 -6.848 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.286 20.071 -4.631 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.630 21.051 -5.827 1.00 0.00 H new ATOM 241 N VAL A 19 -3.237 14.763 -5.320 1.00 0.00 N ATOM 242 CA VAL A 19 -4.635 15.080 -5.585 1.00 0.00 C ATOM 243 C VAL A 19 -5.506 14.783 -4.370 1.00 0.00 C ATOM 244 O VAL A 19 -6.345 15.595 -3.983 1.00 0.00 O ATOM 245 CB VAL A 19 -5.171 14.289 -6.793 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.657 14.551 -6.987 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.391 14.643 -8.050 1.00 0.00 C ATOM 0 H VAL A 19 -2.912 13.898 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.680 16.146 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.037 13.225 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.018 13.984 -7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.200 14.243 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.819 15.615 -7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.783 14.075 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.492 15.709 -8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.339 14.399 -7.906 1.00 0.00 H new ATOM 257 N GLN A 20 -5.299 13.613 -3.773 1.00 0.00 N ATOM 258 CA GLN A 20 -6.067 13.208 -2.601 1.00 0.00 C ATOM 259 C GLN A 20 -5.664 14.025 -1.378 1.00 0.00 C ATOM 260 O GLN A 20 -6.399 14.089 -0.392 1.00 0.00 O ATOM 261 CB GLN A 20 -5.865 11.718 -2.323 1.00 0.00 C ATOM 262 CG GLN A 20 -6.434 11.266 -0.988 1.00 0.00 C ATOM 263 CD GLN A 20 -6.093 9.824 -0.666 1.00 0.00 C ATOM 264 OE1 GLN A 20 -6.794 8.901 -1.081 1.00 0.00 O ATOM 265 NE2 GLN A 20 -5.011 9.623 0.077 1.00 0.00 N ATOM 0 H GLN A 20 -4.607 12.930 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.121 13.392 -2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.332 11.141 -3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.799 11.493 -2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.051 11.911 -0.197 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.517 11.385 -1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.459 10.418 0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.732 8.674 0.325 1.00 0.00 H new ATOM 274 N ASP A 21 -4.492 14.648 -1.448 1.00 0.00 N ATOM 275 CA ASP A 21 -3.992 15.462 -0.347 1.00 0.00 C ATOM 276 C ASP A 21 -4.702 16.811 -0.301 1.00 0.00 C ATOM 277 O ASP A 21 -5.210 17.222 0.743 1.00 0.00 O ATOM 278 CB ASP A 21 -2.483 15.671 -0.484 1.00 0.00 C ATOM 279 CG ASP A 21 -1.692 14.423 -0.143 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.055 13.740 0.838 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.710 14.129 -0.856 1.00 0.00 O ATOM 0 H ASP A 21 -3.871 14.604 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.195 14.933 0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.253 15.976 -1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.171 16.485 0.170 1.00 0.00 H new ATOM 286 N HIS A 22 -4.733 17.497 -1.439 1.00 0.00 N ATOM 287 CA HIS A 22 -5.382 18.800 -1.529 1.00 0.00 C ATOM 288 C HIS A 22 -6.847 18.652 -1.926 1.00 0.00 C ATOM 289 O HIS A 22 -7.639 19.582 -1.771 1.00 0.00 O ATOM 290 CB HIS A 22 -4.654 19.686 -2.541 1.00 0.00 C ATOM 291 CG HIS A 22 -3.168 19.712 -2.356 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.559 20.223 -1.229 1.00 0.00 N ATOM 293 CD2 HIS A 22 -2.168 19.284 -3.161 1.00 0.00 C ATOM 294 CE1 HIS A 22 -1.249 20.111 -1.351 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.985 19.543 -2.514 1.00 0.00 N ATOM 0 H HIS A 22 -4.316 17.172 -2.312 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.337 19.270 -0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.880 19.335 -3.548 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.039 20.703 -2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.280 18.824 -4.132 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.517 20.430 -0.623 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.054 19.331 -2.873 1.00 0.00 H new ATOM 304 N ARG A 23 -7.201 17.478 -2.438 1.00 0.00 N ATOM 305 CA ARG A 23 -8.571 17.209 -2.858 1.00 0.00 C ATOM 306 C ARG A 23 -9.569 17.801 -1.868 1.00 0.00 C ATOM 307 O ARG A 23 -10.396 18.646 -2.212 1.00 0.00 O ATOM 308 CB ARG A 23 -8.800 15.702 -2.991 1.00 0.00 C ATOM 309 CG ARG A 23 -10.214 15.268 -2.642 1.00 0.00 C ATOM 310 CD ARG A 23 -10.383 13.763 -2.776 1.00 0.00 C ATOM 311 NE ARG A 23 -9.825 13.046 -1.632 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.480 12.856 -0.493 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.711 13.326 -0.345 1.00 0.00 N ATOM 314 NH2 ARG A 23 -9.905 12.193 0.502 1.00 0.00 N ATOM 0 H ARG A 23 -6.558 16.698 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.726 17.680 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.578 15.398 -4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.098 15.178 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.448 15.572 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.923 15.775 -3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.442 13.524 -2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.895 13.423 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.880 12.671 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.158 13.835 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.211 13.178 0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.959 11.829 0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.409 12.048 1.377 1.00 0.00 H new ATOM 328 N PRO A 24 -9.493 17.347 -0.608 1.00 0.00 N ATOM 329 CA PRO A 24 -10.383 17.818 0.458 1.00 0.00 C ATOM 330 C PRO A 24 -10.096 19.261 0.857 1.00 0.00 C ATOM 331 O PRO A 24 -11.015 20.031 1.137 1.00 0.00 O ATOM 332 CB PRO A 24 -10.075 16.871 1.621 1.00 0.00 C ATOM 333 CG PRO A 24 -8.684 16.400 1.368 1.00 0.00 C ATOM 334 CD PRO A 24 -8.532 16.340 -0.127 1.00 0.00 C ATOM 0 HA PRO A 24 -11.428 17.811 0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.151 17.384 2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.776 16.037 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.955 17.081 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.516 15.421 1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.514 16.576 -0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.762 15.348 -0.515 1.00 0.00 H new ATOM 342 N GLN A 25 -8.817 19.621 0.880 1.00 0.00 N ATOM 343 CA GLN A 25 -8.411 20.973 1.245 1.00 0.00 C ATOM 344 C GLN A 25 -9.102 22.006 0.361 1.00 0.00 C ATOM 345 O GLN A 25 -9.462 23.090 0.820 1.00 0.00 O ATOM 346 CB GLN A 25 -6.893 21.121 1.132 1.00 0.00 C ATOM 347 CG GLN A 25 -6.353 22.380 1.791 1.00 0.00 C ATOM 348 CD GLN A 25 -6.635 22.425 3.280 1.00 0.00 C ATOM 349 OE1 GLN A 25 -5.959 21.767 4.072 1.00 0.00 O ATOM 350 NE2 GLN A 25 -7.636 23.205 3.669 1.00 0.00 N ATOM 0 H GLN A 25 -8.044 18.996 0.650 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.710 21.148 2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.417 20.251 1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.614 21.124 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.277 22.439 1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.797 23.254 1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.170 23.733 2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.872 23.277 4.659 1.00 0.00 H new ATOM 359 N PHE A 26 -9.282 21.664 -0.910 1.00 0.00 N ATOM 360 CA PHE A 26 -9.929 22.562 -1.860 1.00 0.00 C ATOM 361 C PHE A 26 -11.380 22.819 -1.464 1.00 0.00 C ATOM 362 O PHE A 26 -11.794 23.965 -1.287 1.00 0.00 O ATOM 363 CB PHE A 26 -9.869 21.975 -3.272 1.00 0.00 C ATOM 364 CG PHE A 26 -9.961 23.010 -4.356 1.00 0.00 C ATOM 365 CD1 PHE A 26 -8.819 23.620 -4.848 1.00 0.00 C ATOM 366 CD2 PHE A 26 -11.190 23.374 -4.882 1.00 0.00 C ATOM 367 CE1 PHE A 26 -8.900 24.573 -5.846 1.00 0.00 C ATOM 368 CE2 PHE A 26 -11.277 24.326 -5.880 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.131 24.927 -6.362 1.00 0.00 C ATOM 0 H PHE A 26 -8.989 20.771 -1.307 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.394 23.512 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.937 21.422 -3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.682 21.259 -3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.854 23.348 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -12.090 22.909 -4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.002 25.040 -6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.241 24.600 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.197 25.672 -7.141 1.00 0.00 H new ATOM 379 N LEU A 27 -12.149 21.744 -1.328 1.00 0.00 N ATOM 380 CA LEU A 27 -13.555 21.851 -0.954 1.00 0.00 C ATOM 381 C LEU A 27 -13.711 22.591 0.370 1.00 0.00 C ATOM 382 O LEU A 27 -14.419 23.595 0.452 1.00 0.00 O ATOM 383 CB LEU A 27 -14.183 20.460 -0.852 1.00 0.00 C ATOM 384 CG LEU A 27 -14.643 19.833 -2.169 1.00 0.00 C ATOM 385 CD1 LEU A 27 -15.789 20.632 -2.769 1.00 0.00 C ATOM 386 CD2 LEU A 27 -13.483 19.742 -3.150 1.00 0.00 C ATOM 0 H LEU A 27 -11.822 20.788 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.070 22.419 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.460 19.790 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.040 20.519 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.999 18.824 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.103 20.171 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.627 20.645 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.460 21.653 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.829 19.293 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.096 20.741 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.692 19.126 -2.722 1.00 0.00 H new ATOM 398 N ILE A 28 -13.044 22.089 1.404 1.00 0.00 N ATOM 399 CA ILE A 28 -13.106 22.705 2.724 1.00 0.00 C ATOM 400 C ILE A 28 -13.212 24.222 2.619 1.00 0.00 C ATOM 401 O ILE A 28 -14.069 24.840 3.249 1.00 0.00 O ATOM 402 CB ILE A 28 -11.872 22.345 3.572 1.00 0.00 C ATOM 403 CG1 ILE A 28 -11.929 20.876 3.997 1.00 0.00 C ATOM 404 CG2 ILE A 28 -11.785 23.251 4.791 1.00 0.00 C ATOM 405 CD1 ILE A 28 -10.691 20.411 4.732 1.00 0.00 C ATOM 0 H ILE A 28 -12.455 21.258 1.353 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.999 22.314 3.212 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.978 22.495 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.799 20.724 4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.071 20.255 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.908 22.984 5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.703 24.289 4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.681 23.130 5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.801 19.361 5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.819 20.530 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.559 21.006 5.635 1.00 0.00 H new ATOM 417 N GLU A 29 -12.335 24.817 1.816 1.00 0.00 N ATOM 418 CA GLU A 29 -12.330 26.263 1.627 1.00 0.00 C ATOM 419 C GLU A 29 -13.346 26.676 0.565 1.00 0.00 C ATOM 420 O GLU A 29 -13.883 27.781 0.603 1.00 0.00 O ATOM 421 CB GLU A 29 -10.934 26.743 1.227 1.00 0.00 C ATOM 422 CG GLU A 29 -9.886 26.536 2.308 1.00 0.00 C ATOM 423 CD GLU A 29 -8.470 26.628 1.774 1.00 0.00 C ATOM 424 OE1 GLU A 29 -8.296 27.121 0.639 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.537 26.207 2.489 1.00 0.00 O ATOM 0 H GLU A 29 -11.619 24.320 1.286 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.609 26.728 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.622 26.216 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.981 27.803 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.024 27.282 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.033 25.560 2.769 1.00 0.00 H new ATOM 432 N ASN A 30 -13.602 25.778 -0.381 1.00 0.00 N ATOM 433 CA ASN A 30 -14.551 26.049 -1.454 1.00 0.00 C ATOM 434 C ASN A 30 -15.508 24.876 -1.643 1.00 0.00 C ATOM 435 O ASN A 30 -15.339 24.042 -2.534 1.00 0.00 O ATOM 436 CB ASN A 30 -13.808 26.331 -2.762 1.00 0.00 C ATOM 437 CG ASN A 30 -12.531 27.119 -2.542 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.551 28.348 -2.471 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.412 26.413 -2.435 1.00 0.00 N ATOM 0 H ASN A 30 -13.166 24.857 -0.426 1.00 0.00 H new ATOM 0 HA ASN A 30 -15.132 26.929 -1.177 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.570 25.387 -3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.462 26.884 -3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.521 26.888 -2.288 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.443 25.396 -2.500 1.00 0.00 H new ATOM 446 N PRO A 31 -16.538 24.808 -0.786 1.00 0.00 N ATOM 447 CA PRO A 31 -17.542 23.742 -0.839 1.00 0.00 C ATOM 448 C PRO A 31 -18.443 23.854 -2.065 1.00 0.00 C ATOM 449 O PRO A 31 -19.043 22.871 -2.499 1.00 0.00 O ATOM 450 CB PRO A 31 -18.354 23.956 0.442 1.00 0.00 C ATOM 451 CG PRO A 31 -18.184 25.401 0.761 1.00 0.00 C ATOM 452 CD PRO A 31 -16.800 25.767 0.300 1.00 0.00 C ATOM 0 HA PRO A 31 -17.085 22.755 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.404 23.705 0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.988 23.326 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.937 26.004 0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.300 25.581 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.753 26.797 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.070 25.673 1.104 1.00 0.00 H new ATOM 460 N LYS A 32 -18.532 25.059 -2.619 1.00 0.00 N ATOM 461 CA LYS A 32 -19.358 25.300 -3.796 1.00 0.00 C ATOM 462 C LYS A 32 -18.848 24.501 -4.991 1.00 0.00 C ATOM 463 O LYS A 32 -19.633 24.010 -5.804 1.00 0.00 O ATOM 464 CB LYS A 32 -19.374 26.792 -4.136 1.00 0.00 C ATOM 465 CG LYS A 32 -20.494 27.559 -3.455 1.00 0.00 C ATOM 466 CD LYS A 32 -20.068 28.072 -2.089 1.00 0.00 C ATOM 467 CE LYS A 32 -19.241 29.343 -2.205 1.00 0.00 C ATOM 468 NZ LYS A 32 -17.789 29.049 -2.360 1.00 0.00 N ATOM 0 H LYS A 32 -18.042 25.883 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.373 24.974 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -18.418 27.231 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -19.469 26.909 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.795 28.398 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.365 26.913 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.951 28.265 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.488 27.305 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.587 29.924 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.394 29.958 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.237 29.707 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.598 28.072 -2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.516 29.162 -3.357 1.00 0.00 H new ATOM 482 N THR A 33 -17.529 24.372 -5.092 1.00 0.00 N ATOM 483 CA THR A 33 -16.915 23.632 -6.188 1.00 0.00 C ATOM 484 C THR A 33 -17.313 22.161 -6.149 1.00 0.00 C ATOM 485 O THR A 33 -17.240 21.516 -5.103 1.00 0.00 O ATOM 486 CB THR A 33 -15.378 23.738 -6.145 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.979 25.109 -6.250 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.749 22.933 -7.272 1.00 0.00 C ATOM 0 H THR A 33 -16.865 24.770 -4.428 1.00 0.00 H new ATOM 0 HA THR A 33 -17.277 24.079 -7.114 1.00 0.00 H new ATOM 0 HB THR A 33 -15.034 23.332 -5.194 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.136 25.242 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.664 23.023 -7.222 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.031 21.885 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.100 23.314 -8.231 1.00 0.00 H new ATOM 496 N SER A 34 -17.733 21.636 -7.295 1.00 0.00 N ATOM 497 CA SER A 34 -18.146 20.241 -7.392 1.00 0.00 C ATOM 498 C SER A 34 -16.943 19.310 -7.278 1.00 0.00 C ATOM 499 O SER A 34 -15.795 19.743 -7.382 1.00 0.00 O ATOM 500 CB SER A 34 -18.875 19.993 -8.714 1.00 0.00 C ATOM 501 OG SER A 34 -17.967 19.980 -9.802 1.00 0.00 O ATOM 0 H SER A 34 -17.796 22.156 -8.170 1.00 0.00 H new ATOM 0 HA SER A 34 -18.826 20.031 -6.566 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.406 19.042 -8.668 1.00 0.00 H new ATOM 0 HB3 SER A 34 -19.624 20.769 -8.871 1.00 0.00 H new ATOM 0 HG SER A 34 -18.091 20.789 -10.341 1.00 0.00 H new ATOM 507 N LEU A 35 -17.215 18.027 -7.063 1.00 0.00 N ATOM 508 CA LEU A 35 -16.156 17.032 -6.935 1.00 0.00 C ATOM 509 C LEU A 35 -15.195 17.103 -8.117 1.00 0.00 C ATOM 510 O LEU A 35 -13.985 17.232 -7.939 1.00 0.00 O ATOM 511 CB LEU A 35 -16.756 15.629 -6.835 1.00 0.00 C ATOM 512 CG LEU A 35 -15.935 14.601 -6.057 1.00 0.00 C ATOM 513 CD1 LEU A 35 -14.719 14.169 -6.862 1.00 0.00 C ATOM 514 CD2 LEU A 35 -15.510 15.166 -4.709 1.00 0.00 C ATOM 0 H LEU A 35 -18.159 17.652 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.598 17.248 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.738 15.708 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.913 15.250 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.559 13.725 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.147 13.437 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.045 13.723 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.093 15.037 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.927 14.420 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.904 16.059 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.395 15.425 -4.128 1.00 0.00 H new ATOM 526 N GLU A 36 -15.745 17.020 -9.325 1.00 0.00 N ATOM 527 CA GLU A 36 -14.936 17.077 -10.537 1.00 0.00 C ATOM 528 C GLU A 36 -14.213 18.417 -10.647 1.00 0.00 C ATOM 529 O GLU A 36 -12.985 18.479 -10.582 1.00 0.00 O ATOM 530 CB GLU A 36 -15.812 16.855 -11.772 1.00 0.00 C ATOM 531 CG GLU A 36 -16.327 15.431 -11.905 1.00 0.00 C ATOM 532 CD GLU A 36 -15.224 14.398 -11.777 1.00 0.00 C ATOM 533 OE1 GLU A 36 -14.527 14.146 -12.781 1.00 0.00 O ATOM 534 OE2 GLU A 36 -15.060 13.841 -10.671 1.00 0.00 O ATOM 0 H GLU A 36 -16.746 16.913 -9.490 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.189 16.285 -10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.661 17.537 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.240 17.110 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.081 15.248 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.818 15.315 -12.871 1.00 0.00 H new ATOM 541 N ASP A 37 -14.984 19.486 -10.815 1.00 0.00 N ATOM 542 CA ASP A 37 -14.418 20.825 -10.933 1.00 0.00 C ATOM 543 C ASP A 37 -13.179 20.971 -10.056 1.00 0.00 C ATOM 544 O ASP A 37 -12.096 21.292 -10.544 1.00 0.00 O ATOM 545 CB ASP A 37 -15.459 21.877 -10.547 1.00 0.00 C ATOM 546 CG ASP A 37 -16.335 22.282 -11.716 1.00 0.00 C ATOM 547 OD1 ASP A 37 -17.324 21.571 -11.990 1.00 0.00 O ATOM 548 OD2 ASP A 37 -16.032 23.310 -12.355 1.00 0.00 O ATOM 0 H ASP A 37 -16.002 19.451 -10.872 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.125 20.979 -11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.086 21.486 -9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.952 22.758 -10.154 1.00 0.00 H new ATOM 553 N ALA A 38 -13.346 20.733 -8.759 1.00 0.00 N ATOM 554 CA ALA A 38 -12.241 20.838 -7.815 1.00 0.00 C ATOM 555 C ALA A 38 -10.990 20.155 -8.356 1.00 0.00 C ATOM 556 O ALA A 38 -9.945 20.787 -8.519 1.00 0.00 O ATOM 557 CB ALA A 38 -12.635 20.236 -6.474 1.00 0.00 C ATOM 0 H ALA A 38 -14.236 20.466 -8.338 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.014 21.895 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.801 20.321 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.497 20.770 -6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.890 19.185 -6.608 1.00 0.00 H new ATOM 563 N THR A 39 -11.101 18.860 -8.634 1.00 0.00 N ATOM 564 CA THR A 39 -9.978 18.090 -9.156 1.00 0.00 C ATOM 565 C THR A 39 -9.417 18.727 -10.422 1.00 0.00 C ATOM 566 O THR A 39 -8.225 19.028 -10.502 1.00 0.00 O ATOM 567 CB THR A 39 -10.387 16.637 -9.463 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.420 16.219 -8.564 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.193 15.702 -9.343 1.00 0.00 C ATOM 0 H THR A 39 -11.958 18.322 -8.506 1.00 0.00 H new ATOM 0 HA THR A 39 -9.210 18.087 -8.383 1.00 0.00 H new ATOM 0 HB THR A 39 -10.759 16.596 -10.487 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.676 15.295 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.506 14.682 -9.564 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.421 16.006 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.796 15.748 -8.329 1.00 0.00 H new ATOM 577 N LEU A 40 -10.282 18.930 -11.410 1.00 0.00 N ATOM 578 CA LEU A 40 -9.872 19.532 -12.674 1.00 0.00 C ATOM 579 C LEU A 40 -8.821 20.615 -12.446 1.00 0.00 C ATOM 580 O LEU A 40 -7.886 20.760 -13.233 1.00 0.00 O ATOM 581 CB LEU A 40 -11.083 20.125 -13.396 1.00 0.00 C ATOM 582 CG LEU A 40 -12.064 19.118 -13.999 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.377 19.799 -14.353 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.457 18.453 -15.226 1.00 0.00 C ATOM 0 H LEU A 40 -11.271 18.687 -11.360 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.434 18.751 -13.295 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.627 20.756 -12.693 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.723 20.774 -14.194 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.268 18.347 -13.256 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.063 19.067 -14.781 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.819 20.228 -13.453 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.192 20.591 -15.079 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.168 17.740 -15.642 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.224 19.212 -15.973 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.543 17.931 -14.942 1.00 0.00 H new ATOM 596 N GLN A 41 -8.982 21.369 -11.364 1.00 0.00 N ATOM 597 CA GLN A 41 -8.047 22.437 -11.032 1.00 0.00 C ATOM 598 C GLN A 41 -6.747 21.868 -10.473 1.00 0.00 C ATOM 599 O GLN A 41 -5.658 22.328 -10.818 1.00 0.00 O ATOM 600 CB GLN A 41 -8.674 23.398 -10.020 1.00 0.00 C ATOM 601 CG GLN A 41 -9.432 24.549 -10.663 1.00 0.00 C ATOM 602 CD GLN A 41 -10.000 25.515 -9.642 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.310 26.424 -9.179 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.265 25.324 -9.286 1.00 0.00 N ATOM 0 H GLN A 41 -9.751 21.260 -10.703 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.820 22.983 -11.947 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.354 22.841 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.889 23.803 -9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.765 25.088 -11.336 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.244 24.150 -11.271 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.800 24.558 -9.695 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.702 25.943 -8.603 1.00 0.00 H new ATOM 613 N ILE A 42 -6.869 20.867 -9.608 1.00 0.00 N ATOM 614 CA ILE A 42 -5.704 20.235 -9.002 1.00 0.00 C ATOM 615 C ILE A 42 -4.812 19.596 -10.061 1.00 0.00 C ATOM 616 O ILE A 42 -3.606 19.836 -10.098 1.00 0.00 O ATOM 617 CB ILE A 42 -6.115 19.162 -7.977 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.098 19.746 -6.961 1.00 0.00 C ATOM 619 CG2 ILE A 42 -4.887 18.604 -7.273 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.540 18.754 -5.908 1.00 0.00 C ATOM 0 H ILE A 42 -7.763 20.476 -9.311 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.149 21.021 -8.490 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.609 18.347 -8.505 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.635 20.602 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.976 20.118 -7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.194 17.847 -6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.219 18.155 -8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.367 19.410 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.236 19.237 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.032 17.909 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.671 18.400 -5.354 1.00 0.00 H new ATOM 632 N GLU A 43 -5.415 18.781 -10.922 1.00 0.00 N ATOM 633 CA GLU A 43 -4.675 18.108 -11.982 1.00 0.00 C ATOM 634 C GLU A 43 -3.784 19.093 -12.734 1.00 0.00 C ATOM 635 O GLU A 43 -2.584 18.867 -12.887 1.00 0.00 O ATOM 636 CB GLU A 43 -5.640 17.430 -12.957 1.00 0.00 C ATOM 637 CG GLU A 43 -6.115 16.064 -12.493 1.00 0.00 C ATOM 638 CD GLU A 43 -6.816 15.286 -13.589 1.00 0.00 C ATOM 639 OE1 GLU A 43 -6.305 15.274 -14.729 1.00 0.00 O ATOM 640 OE2 GLU A 43 -7.877 14.689 -13.307 1.00 0.00 O ATOM 0 H GLU A 43 -6.413 18.572 -10.906 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.041 17.349 -11.522 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.506 18.075 -13.105 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.151 17.325 -13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.261 15.489 -12.134 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.794 16.187 -11.649 1.00 0.00 H new ATOM 647 N GLU A 44 -4.381 20.186 -13.199 1.00 0.00 N ATOM 648 CA GLU A 44 -3.641 21.204 -13.936 1.00 0.00 C ATOM 649 C GLU A 44 -2.667 21.938 -13.019 1.00 0.00 C ATOM 650 O GLU A 44 -1.684 22.521 -13.479 1.00 0.00 O ATOM 651 CB GLU A 44 -4.607 22.203 -14.576 1.00 0.00 C ATOM 652 CG GLU A 44 -5.446 22.970 -13.569 1.00 0.00 C ATOM 653 CD GLU A 44 -6.153 24.163 -14.185 1.00 0.00 C ATOM 654 OE1 GLU A 44 -5.502 24.911 -14.944 1.00 0.00 O ATOM 655 OE2 GLU A 44 -7.356 24.347 -13.907 1.00 0.00 O ATOM 0 H GLU A 44 -5.373 20.389 -13.079 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.070 20.707 -14.720 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.037 22.912 -15.177 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.270 21.669 -15.257 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.186 22.299 -13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.807 23.312 -12.755 1.00 0.00 H new ATOM 662 N LEU A 45 -2.946 21.905 -11.721 1.00 0.00 N ATOM 663 CA LEU A 45 -2.095 22.567 -10.738 1.00 0.00 C ATOM 664 C LEU A 45 -0.897 21.694 -10.379 1.00 0.00 C ATOM 665 O LEU A 45 0.099 22.179 -9.841 1.00 0.00 O ATOM 666 CB LEU A 45 -2.897 22.895 -9.478 1.00 0.00 C ATOM 667 CG LEU A 45 -2.094 23.012 -8.182 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.190 24.235 -8.222 1.00 0.00 C ATOM 669 CD2 LEU A 45 -3.026 23.074 -6.981 1.00 0.00 C ATOM 0 H LEU A 45 -3.755 21.427 -11.324 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.727 23.494 -11.178 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.424 23.835 -9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.655 22.124 -9.343 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.467 22.126 -8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.627 24.302 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.498 24.149 -9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.797 25.132 -8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.437 23.157 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.679 23.942 -7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.630 22.168 -6.942 1.00 0.00 H new ATOM 681 N TRP A 46 -0.999 20.404 -10.681 1.00 0.00 N ATOM 682 CA TRP A 46 0.077 19.464 -10.392 1.00 0.00 C ATOM 683 C TRP A 46 1.018 19.330 -11.584 1.00 0.00 C ATOM 684 O TRP A 46 2.184 18.965 -11.430 1.00 0.00 O ATOM 685 CB TRP A 46 -0.499 18.095 -10.025 1.00 0.00 C ATOM 686 CG TRP A 46 0.505 16.986 -10.109 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.686 16.122 -11.151 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.464 16.621 -9.111 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.700 15.241 -10.861 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.195 15.527 -9.616 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.779 17.113 -7.842 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.218 14.919 -8.893 1.00 0.00 C ATOM 693 CZ3 TRP A 46 2.794 16.507 -7.126 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.504 15.420 -7.653 1.00 0.00 C ATOM 0 H TRP A 46 -1.816 19.986 -11.126 1.00 0.00 H new ATOM 0 HA TRP A 46 0.646 19.850 -9.546 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.899 18.137 -9.012 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.334 17.870 -10.689 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.116 16.130 -12.068 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.030 14.495 -11.473 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.239 17.952 -7.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.766 14.081 -9.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.044 16.878 -6.143 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.292 14.969 -7.069 1.00 0.00 H new ATOM 705 N LYS A 47 0.505 19.627 -12.773 1.00 0.00 N ATOM 706 CA LYS A 47 1.300 19.542 -13.993 1.00 0.00 C ATOM 707 C LYS A 47 2.177 20.779 -14.159 1.00 0.00 C ATOM 708 O LYS A 47 3.015 20.843 -15.059 1.00 0.00 O ATOM 709 CB LYS A 47 0.388 19.383 -15.211 1.00 0.00 C ATOM 710 CG LYS A 47 -0.100 17.961 -15.425 1.00 0.00 C ATOM 711 CD LYS A 47 -1.353 17.924 -16.283 1.00 0.00 C ATOM 712 CE LYS A 47 -1.029 18.147 -17.752 1.00 0.00 C ATOM 713 NZ LYS A 47 -0.480 16.919 -18.392 1.00 0.00 N ATOM 0 H LYS A 47 -0.458 19.929 -12.918 1.00 0.00 H new ATOM 0 HA LYS A 47 1.947 18.668 -13.915 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.474 20.040 -15.097 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.924 19.712 -16.101 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.685 17.374 -15.901 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.305 17.497 -14.460 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.851 16.962 -16.161 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.051 18.689 -15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.930 18.459 -18.279 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.308 18.959 -17.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.272 17.112 -19.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.394 16.635 -17.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.178 16.151 -18.326 1.00 0.00 H new ATOM 727 N THR A 48 1.980 21.760 -13.283 1.00 0.00 N ATOM 728 CA THR A 48 2.753 22.995 -13.333 1.00 0.00 C ATOM 729 C THR A 48 3.922 22.951 -12.356 1.00 0.00 C ATOM 730 O THR A 48 4.939 23.616 -12.559 1.00 0.00 O ATOM 731 CB THR A 48 1.876 24.220 -13.011 1.00 0.00 C ATOM 732 OG1 THR A 48 1.349 24.110 -11.684 1.00 0.00 O ATOM 733 CG2 THR A 48 0.732 24.343 -14.007 1.00 0.00 C ATOM 0 H THR A 48 1.292 21.723 -12.531 1.00 0.00 H new ATOM 0 HA THR A 48 3.135 23.088 -14.350 1.00 0.00 H new ATOM 0 HB THR A 48 2.497 25.113 -13.082 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.794 24.893 -11.486 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.126 25.215 -13.760 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.136 24.455 -15.013 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.113 23.447 -13.963 1.00 0.00 H new ATOM 741 N LEU A 49 3.773 22.163 -11.297 1.00 0.00 N ATOM 742 CA LEU A 49 4.819 22.032 -10.288 1.00 0.00 C ATOM 743 C LEU A 49 6.182 21.826 -10.940 1.00 0.00 C ATOM 744 O LEU A 49 6.276 21.591 -12.145 1.00 0.00 O ATOM 745 CB LEU A 49 4.507 20.863 -9.351 1.00 0.00 C ATOM 746 CG LEU A 49 3.522 21.155 -8.219 1.00 0.00 C ATOM 747 CD1 LEU A 49 3.498 20.006 -7.223 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.881 22.460 -7.523 1.00 0.00 C ATOM 0 H LEU A 49 2.939 21.605 -11.115 1.00 0.00 H new ATOM 0 HA LEU A 49 4.850 22.955 -9.710 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.111 20.041 -9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.442 20.516 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 49 2.525 21.258 -8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.791 20.232 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.192 19.091 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.493 19.871 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.169 22.652 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.886 22.386 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.845 23.278 -8.243 1.00 0.00 H new ATOM 760 N SER A 50 7.237 21.914 -10.136 1.00 0.00 N ATOM 761 CA SER A 50 8.595 21.739 -10.635 1.00 0.00 C ATOM 762 C SER A 50 9.123 20.348 -10.298 1.00 0.00 C ATOM 763 O SER A 50 8.728 19.748 -9.299 1.00 0.00 O ATOM 764 CB SER A 50 9.520 22.804 -10.043 1.00 0.00 C ATOM 765 OG SER A 50 10.589 23.099 -10.925 1.00 0.00 O ATOM 0 H SER A 50 7.177 22.106 -9.136 1.00 0.00 H new ATOM 0 HA SER A 50 8.573 21.848 -11.719 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.951 23.711 -9.840 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.917 22.456 -9.089 1.00 0.00 H new ATOM 0 HG SER A 50 11.164 23.783 -10.524 1.00 0.00 H new ATOM 771 N GLU A 51 10.018 19.841 -11.140 1.00 0.00 N ATOM 772 CA GLU A 51 10.599 18.520 -10.932 1.00 0.00 C ATOM 773 C GLU A 51 10.879 18.275 -9.452 1.00 0.00 C ATOM 774 O GLU A 51 10.218 17.458 -8.813 1.00 0.00 O ATOM 775 CB GLU A 51 11.892 18.375 -11.738 1.00 0.00 C ATOM 776 CG GLU A 51 12.220 16.938 -12.109 1.00 0.00 C ATOM 777 CD GLU A 51 13.551 16.810 -12.825 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.548 17.377 -12.332 1.00 0.00 O ATOM 779 OE2 GLU A 51 13.594 16.141 -13.879 1.00 0.00 O ATOM 0 H GLU A 51 10.356 20.325 -11.972 1.00 0.00 H new ATOM 0 HA GLU A 51 9.880 17.777 -11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.810 18.967 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.718 18.790 -11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.237 16.328 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.429 16.542 -12.746 1.00 0.00 H new ATOM 786 N GLU A 52 11.863 18.990 -8.916 1.00 0.00 N ATOM 787 CA GLU A 52 12.231 18.849 -7.512 1.00 0.00 C ATOM 788 C GLU A 52 10.990 18.691 -6.637 1.00 0.00 C ATOM 789 O GLU A 52 10.959 17.858 -5.732 1.00 0.00 O ATOM 790 CB GLU A 52 13.043 20.061 -7.050 1.00 0.00 C ATOM 791 CG GLU A 52 12.376 21.392 -7.356 1.00 0.00 C ATOM 792 CD GLU A 52 13.355 22.551 -7.346 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.840 22.910 -6.253 1.00 0.00 O ATOM 794 OE2 GLU A 52 13.636 23.098 -8.434 1.00 0.00 O ATOM 0 H GLU A 52 12.419 19.672 -9.432 1.00 0.00 H new ATOM 0 HA GLU A 52 12.842 17.952 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.212 19.987 -5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.022 20.036 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.894 21.337 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.591 21.578 -6.623 1.00 0.00 H new ATOM 801 N GLU A 53 9.971 19.498 -6.916 1.00 0.00 N ATOM 802 CA GLU A 53 8.729 19.449 -6.154 1.00 0.00 C ATOM 803 C GLU A 53 8.139 18.041 -6.165 1.00 0.00 C ATOM 804 O GLU A 53 7.852 17.467 -5.115 1.00 0.00 O ATOM 805 CB GLU A 53 7.715 20.443 -6.723 1.00 0.00 C ATOM 806 CG GLU A 53 6.741 20.980 -5.688 1.00 0.00 C ATOM 807 CD GLU A 53 7.409 21.883 -4.671 1.00 0.00 C ATOM 808 OE1 GLU A 53 7.610 23.077 -4.978 1.00 0.00 O ATOM 809 OE2 GLU A 53 7.731 21.397 -3.567 1.00 0.00 O ATOM 0 H GLU A 53 9.981 20.192 -7.663 1.00 0.00 H new ATOM 0 HA GLU A 53 8.955 19.722 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.251 21.279 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.153 19.958 -7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.948 21.532 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.269 20.144 -5.171 1.00 0.00 H new ATOM 816 N LYS A 54 7.959 17.491 -7.361 1.00 0.00 N ATOM 817 CA LYS A 54 7.404 16.152 -7.513 1.00 0.00 C ATOM 818 C LYS A 54 8.322 15.108 -6.884 1.00 0.00 C ATOM 819 O LYS A 54 7.866 14.217 -6.167 1.00 0.00 O ATOM 820 CB LYS A 54 7.189 15.831 -8.993 1.00 0.00 C ATOM 821 CG LYS A 54 6.198 16.756 -9.678 1.00 0.00 C ATOM 822 CD LYS A 54 6.506 16.905 -11.159 1.00 0.00 C ATOM 823 CE LYS A 54 5.277 17.340 -11.943 1.00 0.00 C ATOM 824 NZ LYS A 54 4.433 16.179 -12.339 1.00 0.00 N ATOM 0 H LYS A 54 8.190 17.953 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 54 6.444 16.124 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.146 15.889 -9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.838 14.803 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.188 16.366 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.223 17.735 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.303 17.636 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.873 15.957 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.686 18.029 -11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.589 17.884 -12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.982 16.374 -13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.027 15.329 -12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.699 16.022 -11.619 1.00 0.00 H new ATOM 838 N LEU A 55 9.617 15.226 -7.155 1.00 0.00 N ATOM 839 CA LEU A 55 10.600 14.294 -6.615 1.00 0.00 C ATOM 840 C LEU A 55 10.260 13.917 -5.176 1.00 0.00 C ATOM 841 O LEU A 55 10.472 12.780 -4.754 1.00 0.00 O ATOM 842 CB LEU A 55 12.001 14.906 -6.675 1.00 0.00 C ATOM 843 CG LEU A 55 12.789 14.654 -7.961 1.00 0.00 C ATOM 844 CD1 LEU A 55 13.578 13.358 -7.859 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.853 14.617 -9.161 1.00 0.00 C ATOM 0 H LEU A 55 10.011 15.958 -7.746 1.00 0.00 H new ATOM 0 HA LEU A 55 10.579 13.390 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.912 15.983 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.580 14.520 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 55 13.493 15.474 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.132 13.196 -8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.276 13.422 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.892 12.526 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.431 14.437 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.125 13.817 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.333 15.571 -9.246 1.00 0.00 H new ATOM 857 N LYS A 56 9.727 14.877 -4.429 1.00 0.00 N ATOM 858 CA LYS A 56 9.353 14.647 -3.039 1.00 0.00 C ATOM 859 C LYS A 56 8.251 13.596 -2.939 1.00 0.00 C ATOM 860 O LYS A 56 8.314 12.695 -2.103 1.00 0.00 O ATOM 861 CB LYS A 56 8.887 15.953 -2.391 1.00 0.00 C ATOM 862 CG LYS A 56 10.009 16.741 -1.737 1.00 0.00 C ATOM 863 CD LYS A 56 10.886 17.426 -2.772 1.00 0.00 C ATOM 864 CE LYS A 56 12.036 16.531 -3.208 1.00 0.00 C ATOM 865 NZ LYS A 56 13.220 17.322 -3.643 1.00 0.00 N ATOM 0 H LYS A 56 9.544 15.823 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 56 10.231 14.279 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.411 16.575 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.128 15.727 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.587 17.488 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.618 16.072 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.284 17.695 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.282 18.354 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.319 15.876 -2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.707 15.890 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.020 16.681 -3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.991 17.838 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.477 18.000 -2.898 1.00 0.00 H new ATOM 879 N TYR A 57 7.245 13.718 -3.797 1.00 0.00 N ATOM 880 CA TYR A 57 6.129 12.780 -3.804 1.00 0.00 C ATOM 881 C TYR A 57 6.547 11.441 -4.404 1.00 0.00 C ATOM 882 O TYR A 57 6.042 10.389 -4.013 1.00 0.00 O ATOM 883 CB TYR A 57 4.953 13.359 -4.593 1.00 0.00 C ATOM 884 CG TYR A 57 4.017 14.200 -3.755 1.00 0.00 C ATOM 885 CD1 TYR A 57 3.011 13.611 -2.999 1.00 0.00 C ATOM 886 CD2 TYR A 57 4.139 15.583 -3.718 1.00 0.00 C ATOM 887 CE1 TYR A 57 2.153 14.375 -2.232 1.00 0.00 C ATOM 888 CE2 TYR A 57 3.286 16.356 -2.953 1.00 0.00 C ATOM 889 CZ TYR A 57 2.295 15.747 -2.213 1.00 0.00 C ATOM 890 OH TYR A 57 1.443 16.512 -1.449 1.00 0.00 O ATOM 0 H TYR A 57 7.179 14.457 -4.497 1.00 0.00 H new ATOM 0 HA TYR A 57 5.820 12.615 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.339 13.966 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.390 12.541 -5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.898 12.537 -3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.914 16.063 -4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.376 13.901 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.395 17.430 -2.935 1.00 0.00 H new ATOM 0 HH TYR A 57 0.687 15.963 -1.153 1.00 0.00 H new ATOM 900 N GLU A 58 7.475 11.489 -5.354 1.00 0.00 N ATOM 901 CA GLU A 58 7.962 10.280 -6.008 1.00 0.00 C ATOM 902 C GLU A 58 8.537 9.303 -4.986 1.00 0.00 C ATOM 903 O GLU A 58 8.252 8.107 -5.029 1.00 0.00 O ATOM 904 CB GLU A 58 9.027 10.630 -7.050 1.00 0.00 C ATOM 905 CG GLU A 58 8.451 11.140 -8.360 1.00 0.00 C ATOM 906 CD GLU A 58 7.634 10.089 -9.087 1.00 0.00 C ATOM 907 OE1 GLU A 58 7.832 8.888 -8.811 1.00 0.00 O ATOM 908 OE2 GLU A 58 6.796 10.470 -9.931 1.00 0.00 O ATOM 0 H GLU A 58 7.905 12.352 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 58 7.119 9.803 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.693 11.387 -6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.633 9.746 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.824 12.010 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.264 11.473 -9.005 1.00 0.00 H new ATOM 915 N GLU A 59 9.347 9.823 -4.070 1.00 0.00 N ATOM 916 CA GLU A 59 9.963 8.996 -3.038 1.00 0.00 C ATOM 917 C GLU A 59 8.910 8.452 -2.077 1.00 0.00 C ATOM 918 O GLU A 59 9.145 7.470 -1.372 1.00 0.00 O ATOM 919 CB GLU A 59 11.008 9.802 -2.264 1.00 0.00 C ATOM 920 CG GLU A 59 12.262 10.104 -3.068 1.00 0.00 C ATOM 921 CD GLU A 59 13.021 11.303 -2.535 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.369 12.245 -2.037 1.00 0.00 O ATOM 923 OE2 GLU A 59 14.267 11.301 -2.616 1.00 0.00 O ATOM 0 H GLU A 59 9.592 10.812 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 59 10.453 8.154 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.561 10.741 -1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.287 9.252 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.915 9.231 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.988 10.285 -4.107 1.00 0.00 H new ATOM 930 N LYS A 60 7.748 9.096 -2.055 1.00 0.00 N ATOM 931 CA LYS A 60 6.658 8.678 -1.182 1.00 0.00 C ATOM 932 C LYS A 60 5.849 7.555 -1.822 1.00 0.00 C ATOM 933 O LYS A 60 5.108 6.845 -1.141 1.00 0.00 O ATOM 934 CB LYS A 60 5.744 9.865 -0.869 1.00 0.00 C ATOM 935 CG LYS A 60 6.352 10.862 0.103 1.00 0.00 C ATOM 936 CD LYS A 60 5.515 12.126 0.201 1.00 0.00 C ATOM 937 CE LYS A 60 4.342 11.947 1.151 1.00 0.00 C ATOM 938 NZ LYS A 60 3.918 13.238 1.760 1.00 0.00 N ATOM 0 H LYS A 60 7.537 9.910 -2.632 1.00 0.00 H new ATOM 0 HA LYS A 60 7.091 8.306 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.500 10.379 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.807 9.492 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.438 10.404 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.361 11.117 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.139 12.951 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.145 12.396 -0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.503 11.507 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.617 11.247 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.116 13.073 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.711 13.646 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.631 13.898 1.009 1.00 0.00 H new ATOM 952 N ALA A 61 5.997 7.397 -3.133 1.00 0.00 N ATOM 953 CA ALA A 61 5.283 6.358 -3.863 1.00 0.00 C ATOM 954 C ALA A 61 6.069 5.051 -3.868 1.00 0.00 C ATOM 955 O ALA A 61 5.530 3.988 -3.562 1.00 0.00 O ATOM 956 CB ALA A 61 5.001 6.812 -5.288 1.00 0.00 C ATOM 0 H ALA A 61 6.606 7.976 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 61 4.335 6.179 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.467 6.026 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.391 7.715 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.942 7.021 -5.796 1.00 0.00 H new ATOM 962 N THR A 62 7.349 5.137 -4.220 1.00 0.00 N ATOM 963 CA THR A 62 8.209 3.962 -4.267 1.00 0.00 C ATOM 964 C THR A 62 8.092 3.144 -2.986 1.00 0.00 C ATOM 965 O THR A 62 8.181 1.916 -3.011 1.00 0.00 O ATOM 966 CB THR A 62 9.684 4.353 -4.479 1.00 0.00 C ATOM 967 OG1 THR A 62 10.517 3.192 -4.389 1.00 0.00 O ATOM 968 CG2 THR A 62 10.125 5.381 -3.449 1.00 0.00 C ATOM 0 H THR A 62 7.812 6.009 -4.477 1.00 0.00 H new ATOM 0 HA THR A 62 7.875 3.360 -5.112 1.00 0.00 H new ATOM 0 HB THR A 62 9.781 4.793 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.453 3.449 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.170 5.641 -3.619 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.509 6.275 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.013 4.964 -2.448 1.00 0.00 H new ATOM 976 N LYS A 63 7.892 3.831 -1.867 1.00 0.00 N ATOM 977 CA LYS A 63 7.760 3.168 -0.575 1.00 0.00 C ATOM 978 C LYS A 63 6.547 2.243 -0.558 1.00 0.00 C ATOM 979 O LYS A 63 6.559 1.199 0.093 1.00 0.00 O ATOM 980 CB LYS A 63 7.639 4.205 0.544 1.00 0.00 C ATOM 981 CG LYS A 63 7.305 3.603 1.898 1.00 0.00 C ATOM 982 CD LYS A 63 8.532 2.995 2.556 1.00 0.00 C ATOM 983 CE LYS A 63 8.168 2.250 3.832 1.00 0.00 C ATOM 984 NZ LYS A 63 9.237 1.298 4.242 1.00 0.00 N ATOM 0 H LYS A 63 7.818 4.848 -1.828 1.00 0.00 H new ATOM 0 HA LYS A 63 8.655 2.568 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.577 4.755 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.868 4.927 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.887 4.373 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.539 2.837 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.018 2.311 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.251 3.782 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.993 2.967 4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.235 1.706 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.951 0.810 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.387 0.598 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.121 1.820 4.410 1.00 0.00 H new ATOM 998 N ASP A 64 5.502 2.633 -1.280 1.00 0.00 N ATOM 999 CA ASP A 64 4.282 1.838 -1.350 1.00 0.00 C ATOM 1000 C ASP A 64 4.144 1.174 -2.717 1.00 0.00 C ATOM 1001 O ASP A 64 3.148 0.505 -2.996 1.00 0.00 O ATOM 1002 CB ASP A 64 3.060 2.714 -1.070 1.00 0.00 C ATOM 1003 CG ASP A 64 1.901 1.924 -0.494 1.00 0.00 C ATOM 1004 OD1 ASP A 64 1.948 1.594 0.709 1.00 0.00 O ATOM 1005 OD2 ASP A 64 0.947 1.635 -1.247 1.00 0.00 O ATOM 0 H ASP A 64 5.476 3.495 -1.825 1.00 0.00 H new ATOM 0 HA ASP A 64 4.342 1.058 -0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.337 3.507 -0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.743 3.197 -1.994 1.00 0.00 H new ATOM 1010 N LEU A 65 5.149 1.364 -3.565 1.00 0.00 N ATOM 1011 CA LEU A 65 5.140 0.784 -4.903 1.00 0.00 C ATOM 1012 C LEU A 65 5.682 -0.642 -4.883 1.00 0.00 C ATOM 1013 O LEU A 65 5.786 -1.291 -5.923 1.00 0.00 O ATOM 1014 CB LEU A 65 5.970 1.643 -5.859 1.00 0.00 C ATOM 1015 CG LEU A 65 5.660 1.483 -7.347 1.00 0.00 C ATOM 1016 CD1 LEU A 65 4.515 2.398 -7.755 1.00 0.00 C ATOM 1017 CD2 LEU A 65 6.898 1.769 -8.184 1.00 0.00 C ATOM 0 H LEU A 65 5.980 1.915 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 65 4.108 0.756 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.829 2.690 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.023 1.412 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 65 5.356 0.452 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.308 2.271 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.625 2.145 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.791 3.435 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.658 1.650 -9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.233 2.790 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.691 1.072 -7.911 1.00 0.00 H new