USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 17 GLN : amide:sc= 0.0179 K(o=0.031,f=-1.2) USER MOD Set 1.2: A 84 SER OG : rot -99:sc= 0.0134 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 25 SER OG : rot -29:sc= 0.06 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 28 ASN : amide:sc= -4.13 K(o=-4.1,f=-5.5!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0518 K(o=-0.052,f=-0.82) USER MOD Single : A 45 GLN : amide:sc= -0.525 X(o=-0.53,f=-0.82) USER MOD Single : A 46 THR OG1 : rot 68:sc= 0.221 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 96:sc= 1.2 USER MOD Single : A 51 TYR OH : rot 0:sc= -1.29! USER MOD Single : A 53 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.00027) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -99:sc= -0.87! USER MOD Single : A 59 MET CE :methyl -136:sc= -7.51! (180deg=-10.3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0388 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N ILE A 13 -11.789 -8.458 11.622 1.00 0.00 N ATOM 152 CA ILE A 13 -11.486 -7.132 11.097 1.00 0.00 C ATOM 153 C ILE A 13 -10.063 -6.714 11.448 1.00 0.00 C ATOM 154 O ILE A 13 -9.478 -7.211 12.410 1.00 0.00 O ATOM 155 CB ILE A 13 -12.468 -6.075 11.637 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.909 -6.569 11.499 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.281 -4.756 10.903 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.922 -5.675 12.181 1.00 0.00 C ATOM 0 HA ILE A 13 -11.588 -7.191 10.013 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.260 -5.912 12.695 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.158 -6.646 10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.982 -7.573 11.918 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.982 -4.019 11.295 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.261 -4.400 11.048 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.466 -4.902 9.839 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.922 -6.086 12.042 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.698 -5.618 13.246 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.877 -4.676 11.746 1.00 0.00 H new ATOM 170 N ALA A 14 -9.511 -5.796 10.661 1.00 0.00 N ATOM 171 CA ALA A 14 -8.157 -5.307 10.891 1.00 0.00 C ATOM 172 C ALA A 14 -8.113 -3.783 10.874 1.00 0.00 C ATOM 173 O ALA A 14 -8.776 -3.142 10.059 1.00 0.00 O ATOM 174 CB ALA A 14 -7.207 -5.875 9.847 1.00 0.00 C ATOM 0 H ALA A 14 -9.981 -5.376 9.859 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.839 -5.643 11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.199 -5.502 10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.208 -6.963 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.532 -5.567 8.853 1.00 0.00 H new ATOM 180 N ARG A 15 -7.329 -3.208 11.781 1.00 0.00 N ATOM 181 CA ARG A 15 -7.201 -1.759 11.871 1.00 0.00 C ATOM 182 C ARG A 15 -5.888 -1.289 11.250 1.00 0.00 C ATOM 183 O ARG A 15 -4.831 -1.371 11.875 1.00 0.00 O ATOM 184 CB ARG A 15 -7.276 -1.309 13.331 1.00 0.00 C ATOM 185 CG ARG A 15 -8.687 -0.989 13.798 1.00 0.00 C ATOM 186 CD ARG A 15 -8.693 -0.436 15.214 1.00 0.00 C ATOM 187 NE ARG A 15 -10.049 -0.246 15.722 1.00 0.00 N ATOM 188 CZ ARG A 15 -10.353 -0.220 17.015 1.00 0.00 C ATOM 189 NH1 ARG A 15 -9.402 -0.369 17.926 1.00 0.00 N ATOM 190 NH2 ARG A 15 -11.611 -0.043 17.399 1.00 0.00 N ATOM 0 H ARG A 15 -6.773 -3.724 12.463 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.026 -1.312 11.317 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.861 -2.092 13.966 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.650 -0.427 13.463 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.140 -0.264 13.121 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.299 -1.890 13.756 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.152 -1.117 15.871 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.162 0.516 15.234 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.804 -0.127 15.047 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.434 -0.504 17.635 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.638 -0.349 18.918 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.346 0.073 16.701 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.843 -0.023 18.392 1.00 0.00 H new ATOM 204 N ILE A 16 -5.965 -0.798 10.018 1.00 0.00 N ATOM 205 CA ILE A 16 -4.784 -0.316 9.314 1.00 0.00 C ATOM 206 C ILE A 16 -4.765 1.208 9.251 1.00 0.00 C ATOM 207 O ILE A 16 -5.528 1.817 8.501 1.00 0.00 O ATOM 208 CB ILE A 16 -4.713 -0.878 7.882 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.024 -2.376 7.883 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.342 -0.616 7.277 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.030 -3.199 8.672 1.00 0.00 C ATOM 0 H ILE A 16 -6.833 -0.724 9.487 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.918 -0.665 9.876 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.460 -0.371 7.271 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.021 -2.532 8.296 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.045 -2.735 6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.308 -1.019 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.157 0.458 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.577 -1.099 7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.313 -4.251 8.629 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.034 -3.073 8.246 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.025 -2.867 9.710 1.00 0.00 H new ATOM 223 N GLN A 17 -3.888 1.817 10.043 1.00 0.00 N ATOM 224 CA GLN A 17 -3.770 3.270 10.077 1.00 0.00 C ATOM 225 C GLN A 17 -2.890 3.770 8.936 1.00 0.00 C ATOM 226 O GLN A 17 -1.829 3.209 8.664 1.00 0.00 O ATOM 227 CB GLN A 17 -3.194 3.725 11.418 1.00 0.00 C ATOM 228 CG GLN A 17 -3.233 5.231 11.618 1.00 0.00 C ATOM 229 CD GLN A 17 -2.543 5.669 12.894 1.00 0.00 C ATOM 230 OE1 GLN A 17 -1.917 4.863 13.584 1.00 0.00 O ATOM 231 NE2 GLN A 17 -2.652 6.953 13.217 1.00 0.00 N ATOM 0 H GLN A 17 -3.249 1.327 10.669 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.767 3.694 9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.750 3.245 12.224 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.162 3.383 11.495 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.758 5.719 10.767 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.271 5.564 11.638 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.180 7.587 12.617 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.208 7.305 14.065 1.00 0.00 H new ATOM 240 N PHE A 18 -3.339 4.830 8.271 1.00 0.00 N ATOM 241 CA PHE A 18 -2.593 5.406 7.158 1.00 0.00 C ATOM 242 C PHE A 18 -2.165 6.836 7.472 1.00 0.00 C ATOM 243 O PHE A 18 -3.000 7.735 7.583 1.00 0.00 O ATOM 244 CB PHE A 18 -3.439 5.383 5.883 1.00 0.00 C ATOM 245 CG PHE A 18 -3.818 3.999 5.439 1.00 0.00 C ATOM 246 CD1 PHE A 18 -4.807 3.291 6.102 1.00 0.00 C ATOM 247 CD2 PHE A 18 -3.184 3.406 4.359 1.00 0.00 C ATOM 248 CE1 PHE A 18 -5.158 2.017 5.696 1.00 0.00 C ATOM 249 CE2 PHE A 18 -3.531 2.133 3.948 1.00 0.00 C ATOM 250 CZ PHE A 18 -4.518 1.437 4.619 1.00 0.00 C ATOM 0 H PHE A 18 -4.215 5.307 8.484 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.698 4.804 7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.346 5.964 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.887 5.875 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.310 3.740 6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.410 3.945 3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.932 1.476 6.221 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.031 1.683 3.103 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.788 0.441 4.301 1.00 0.00 H new ATOM 260 N ARG A 19 -0.860 7.039 7.615 1.00 0.00 N ATOM 261 CA ARG A 19 -0.320 8.359 7.918 1.00 0.00 C ATOM 262 C ARG A 19 0.108 9.078 6.642 1.00 0.00 C ATOM 263 O ARG A 19 0.705 8.476 5.748 1.00 0.00 O ATOM 264 CB ARG A 19 0.869 8.240 8.873 1.00 0.00 C ATOM 265 CG ARG A 19 0.477 7.841 10.287 1.00 0.00 C ATOM 266 CD ARG A 19 1.443 8.410 11.314 1.00 0.00 C ATOM 267 NE ARG A 19 1.122 9.793 11.659 1.00 0.00 N ATOM 268 CZ ARG A 19 1.875 10.546 12.453 1.00 0.00 C ATOM 269 NH1 ARG A 19 2.987 10.052 12.981 1.00 0.00 N ATOM 270 NH2 ARG A 19 1.518 11.795 12.719 1.00 0.00 N ATOM 0 H ARG A 19 -0.156 6.306 7.526 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.105 8.944 8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.569 7.504 8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.394 9.194 8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.532 8.195 10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.457 6.754 10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.418 7.796 12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.459 8.360 10.923 1.00 0.00 H new ATOM 0 HE ARG A 19 0.273 10.203 11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.265 9.092 12.778 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.564 10.632 13.590 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.664 12.179 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.097 12.372 13.329 1.00 0.00 H new ATOM 284 N LEU A 20 -0.200 10.367 6.564 1.00 0.00 N ATOM 285 CA LEU A 20 0.152 11.169 5.397 1.00 0.00 C ATOM 286 C LEU A 20 1.251 12.171 5.737 1.00 0.00 C ATOM 287 O LEU A 20 1.430 12.566 6.889 1.00 0.00 O ATOM 288 CB LEU A 20 -1.080 11.905 4.868 1.00 0.00 C ATOM 289 CG LEU A 20 -2.115 11.045 4.142 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.322 11.882 3.747 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.497 10.387 2.917 1.00 0.00 C ATOM 0 H LEU A 20 -0.693 10.880 7.295 1.00 0.00 H new ATOM 0 HA LEU A 20 0.525 10.497 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.571 12.399 5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.746 12.688 4.188 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.449 10.261 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.048 11.253 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.779 12.306 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.005 12.688 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.248 9.779 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.135 11.156 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.665 9.754 3.225 1.00 0.00 H new ATOM 303 N PRO A 21 2.003 12.595 4.710 1.00 0.00 N ATOM 304 CA PRO A 21 3.095 13.559 4.875 1.00 0.00 C ATOM 305 C PRO A 21 2.588 14.958 5.209 1.00 0.00 C ATOM 306 O PRO A 21 3.371 15.900 5.330 1.00 0.00 O ATOM 307 CB PRO A 21 3.784 13.552 3.508 1.00 0.00 C ATOM 308 CG PRO A 21 2.724 13.123 2.552 1.00 0.00 C ATOM 309 CD PRO A 21 1.846 12.167 3.311 1.00 0.00 C ATOM 0 HA PRO A 21 3.754 13.291 5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.170 14.539 3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.631 12.866 3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.152 13.979 2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.159 12.642 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.808 12.231 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.161 11.133 3.169 1.00 0.00 H new ATOM 317 N ASP A 22 1.274 15.086 5.356 1.00 0.00 N ATOM 318 CA ASP A 22 0.663 16.371 5.678 1.00 0.00 C ATOM 319 C ASP A 22 -0.095 16.296 7.000 1.00 0.00 C ATOM 320 O ASP A 22 -1.025 17.066 7.239 1.00 0.00 O ATOM 321 CB ASP A 22 -0.284 16.804 4.557 1.00 0.00 C ATOM 322 CG ASP A 22 -0.597 18.286 4.604 1.00 0.00 C ATOM 323 OD1 ASP A 22 -0.554 18.867 5.709 1.00 0.00 O ATOM 324 OD2 ASP A 22 -0.884 18.866 3.537 1.00 0.00 O ATOM 0 H ASP A 22 0.612 14.317 5.257 1.00 0.00 H new ATOM 0 HA ASP A 22 1.459 17.110 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.163 16.560 3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.212 16.237 4.630 1.00 0.00 H new ATOM 329 N GLY A 23 0.309 15.362 7.856 1.00 0.00 N ATOM 330 CA GLY A 23 -0.343 15.203 9.143 1.00 0.00 C ATOM 331 C GLY A 23 -1.592 14.348 9.058 1.00 0.00 C ATOM 332 O GLY A 23 -1.695 13.320 9.727 1.00 0.00 O ATOM 0 H GLY A 23 1.076 14.713 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.356 14.751 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.604 16.185 9.538 1.00 0.00 H new ATOM 336 N SER A 24 -2.544 14.774 8.234 1.00 0.00 N ATOM 337 CA SER A 24 -3.795 14.043 8.069 1.00 0.00 C ATOM 338 C SER A 24 -3.544 12.539 8.032 1.00 0.00 C ATOM 339 O SER A 24 -2.449 12.089 7.696 1.00 0.00 O ATOM 340 CB SER A 24 -4.503 14.485 6.786 1.00 0.00 C ATOM 341 OG SER A 24 -3.593 14.562 5.702 1.00 0.00 O ATOM 0 H SER A 24 -2.473 15.621 7.670 1.00 0.00 H new ATOM 0 HA SER A 24 -4.434 14.267 8.924 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.300 13.782 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.971 15.457 6.942 1.00 0.00 H new ATOM 0 HG SER A 24 -4.070 14.845 4.894 1.00 0.00 H new ATOM 347 N SER A 25 -4.568 11.766 8.380 1.00 0.00 N ATOM 348 CA SER A 25 -4.459 10.311 8.391 1.00 0.00 C ATOM 349 C SER A 25 -5.840 9.663 8.410 1.00 0.00 C ATOM 350 O SER A 25 -6.756 10.146 9.075 1.00 0.00 O ATOM 351 CB SER A 25 -3.649 9.849 9.604 1.00 0.00 C ATOM 352 OG SER A 25 -2.464 10.612 9.748 1.00 0.00 O ATOM 0 H SER A 25 -5.482 12.123 8.658 1.00 0.00 H new ATOM 0 HA SER A 25 -3.945 10.002 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.255 9.940 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.395 8.795 9.495 1.00 0.00 H new ATOM 0 HG SER A 25 -2.165 10.921 8.867 1.00 0.00 H new ATOM 358 N PHE A 26 -5.981 8.565 7.674 1.00 0.00 N ATOM 359 CA PHE A 26 -7.249 7.850 7.604 1.00 0.00 C ATOM 360 C PHE A 26 -7.050 6.361 7.871 1.00 0.00 C ATOM 361 O PHE A 26 -6.086 5.757 7.398 1.00 0.00 O ATOM 362 CB PHE A 26 -7.898 8.052 6.233 1.00 0.00 C ATOM 363 CG PHE A 26 -6.982 7.739 5.085 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.095 8.691 4.609 1.00 0.00 C ATOM 365 CD2 PHE A 26 -7.007 6.492 4.481 1.00 0.00 C ATOM 366 CE1 PHE A 26 -5.252 8.406 3.552 1.00 0.00 C ATOM 367 CE2 PHE A 26 -6.165 6.200 3.424 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.286 7.159 2.960 1.00 0.00 C ATOM 0 H PHE A 26 -5.232 8.152 7.118 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.908 8.254 8.373 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.784 7.421 6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.235 9.085 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.062 9.667 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.693 5.739 4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.567 9.158 3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.195 5.224 2.962 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.626 6.934 2.135 1.00 0.00 H new ATOM 378 N THR A 27 -7.967 5.774 8.633 1.00 0.00 N ATOM 379 CA THR A 27 -7.892 4.357 8.965 1.00 0.00 C ATOM 380 C THR A 27 -9.125 3.610 8.470 1.00 0.00 C ATOM 381 O THR A 27 -10.237 3.850 8.937 1.00 0.00 O ATOM 382 CB THR A 27 -7.752 4.142 10.484 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.659 4.917 10.989 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.528 2.672 10.804 1.00 0.00 C ATOM 0 H THR A 27 -8.771 6.258 9.032 1.00 0.00 H new ATOM 0 HA THR A 27 -7.007 3.963 8.466 1.00 0.00 H new ATOM 0 HB THR A 27 -8.677 4.464 10.961 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.577 4.776 11.955 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.432 2.545 11.882 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.375 2.088 10.444 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.616 2.328 10.316 1.00 0.00 H new ATOM 392 N ASN A 28 -8.920 2.702 7.521 1.00 0.00 N ATOM 393 CA ASN A 28 -10.016 1.919 6.962 1.00 0.00 C ATOM 394 C ASN A 28 -10.208 0.620 7.738 1.00 0.00 C ATOM 395 O ASN A 28 -9.550 0.390 8.752 1.00 0.00 O ATOM 396 CB ASN A 28 -9.750 1.611 5.487 1.00 0.00 C ATOM 397 CG ASN A 28 -11.031 1.440 4.692 1.00 0.00 C ATOM 398 OD1 ASN A 28 -12.117 1.778 5.163 1.00 0.00 O ATOM 399 ND2 ASN A 28 -10.908 0.911 3.480 1.00 0.00 N ATOM 0 H ASN A 28 -8.005 2.490 7.123 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.929 2.508 7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.160 2.417 5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.154 0.702 5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.734 0.770 2.899 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.987 0.646 3.130 1.00 0.00 H new ATOM 406 N GLN A 29 -11.111 -0.225 7.252 1.00 0.00 N ATOM 407 CA GLN A 29 -11.389 -1.501 7.901 1.00 0.00 C ATOM 408 C GLN A 29 -11.273 -2.653 6.908 1.00 0.00 C ATOM 409 O GLN A 29 -12.050 -2.748 5.958 1.00 0.00 O ATOM 410 CB GLN A 29 -12.786 -1.488 8.523 1.00 0.00 C ATOM 411 CG GLN A 29 -12.820 -0.917 9.931 1.00 0.00 C ATOM 412 CD GLN A 29 -14.215 -0.508 10.362 1.00 0.00 C ATOM 413 OE1 GLN A 29 -14.768 0.473 9.865 1.00 0.00 O ATOM 414 NE2 GLN A 29 -14.792 -1.261 11.291 1.00 0.00 N ATOM 0 H GLN A 29 -11.662 -0.050 6.412 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.650 -1.648 8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.452 -0.905 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.175 -2.506 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.431 -1.658 10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.159 -0.052 9.984 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.297 -2.065 11.676 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.731 -1.035 11.620 1.00 0.00 H new ATOM 423 N PHE A 30 -10.296 -3.526 7.134 1.00 0.00 N ATOM 424 CA PHE A 30 -10.077 -4.671 6.258 1.00 0.00 C ATOM 425 C PHE A 30 -10.081 -5.973 7.054 1.00 0.00 C ATOM 426 O PHE A 30 -9.726 -6.011 8.232 1.00 0.00 O ATOM 427 CB PHE A 30 -8.751 -4.521 5.510 1.00 0.00 C ATOM 428 CG PHE A 30 -8.573 -3.175 4.868 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.195 -2.878 3.666 1.00 0.00 C ATOM 430 CD2 PHE A 30 -7.784 -2.206 5.466 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.035 -1.640 3.073 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.620 -0.966 4.878 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.245 -0.683 3.679 1.00 0.00 C ATOM 0 H PHE A 30 -9.644 -3.462 7.916 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.892 -4.705 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.929 -4.694 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.687 -5.292 4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.812 -3.623 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.291 -2.422 6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.527 -1.421 2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.004 -0.219 5.356 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.116 0.284 3.217 1.00 0.00 H new ATOM 443 N PRO A 31 -10.491 -7.067 6.395 1.00 0.00 N ATOM 444 CA PRO A 31 -10.552 -8.391 7.021 1.00 0.00 C ATOM 445 C PRO A 31 -9.166 -8.962 7.304 1.00 0.00 C ATOM 446 O PRO A 31 -8.314 -9.018 6.417 1.00 0.00 O ATOM 447 CB PRO A 31 -11.278 -9.244 5.978 1.00 0.00 C ATOM 448 CG PRO A 31 -11.009 -8.565 4.679 1.00 0.00 C ATOM 449 CD PRO A 31 -10.928 -7.096 4.989 1.00 0.00 C ATOM 0 HA PRO A 31 -11.051 -8.361 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.904 -10.268 5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.347 -9.296 6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.079 -8.922 4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.803 -8.769 3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.218 -6.586 4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.892 -6.604 4.858 1.00 0.00 H new ATOM 457 N SER A 32 -8.948 -9.386 8.545 1.00 0.00 N ATOM 458 CA SER A 32 -7.664 -9.950 8.946 1.00 0.00 C ATOM 459 C SER A 32 -7.064 -10.788 7.821 1.00 0.00 C ATOM 460 O SER A 32 -5.845 -10.865 7.673 1.00 0.00 O ATOM 461 CB SER A 32 -7.830 -10.806 10.202 1.00 0.00 C ATOM 462 OG SER A 32 -8.326 -12.094 9.880 1.00 0.00 O ATOM 0 H SER A 32 -9.644 -9.350 9.290 1.00 0.00 H new ATOM 0 HA SER A 32 -6.985 -9.126 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.871 -10.899 10.712 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.512 -10.313 10.894 1.00 0.00 H new ATOM 0 HG SER A 32 -8.422 -12.622 10.700 1.00 0.00 H new ATOM 468 N ASP A 33 -7.930 -11.413 7.031 1.00 0.00 N ATOM 469 CA ASP A 33 -7.488 -12.244 5.918 1.00 0.00 C ATOM 470 C ASP A 33 -6.919 -11.387 4.791 1.00 0.00 C ATOM 471 O ASP A 33 -5.865 -11.695 4.236 1.00 0.00 O ATOM 472 CB ASP A 33 -8.648 -13.092 5.394 1.00 0.00 C ATOM 473 CG ASP A 33 -9.975 -12.364 5.465 1.00 0.00 C ATOM 474 OD1 ASP A 33 -10.627 -12.421 6.528 1.00 0.00 O ATOM 475 OD2 ASP A 33 -10.363 -11.738 4.456 1.00 0.00 O ATOM 0 H ASP A 33 -8.943 -11.360 7.141 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.700 -12.904 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.448 -13.377 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.711 -14.014 5.973 1.00 0.00 H new ATOM 480 N ALA A 34 -7.624 -10.311 4.460 1.00 0.00 N ATOM 481 CA ALA A 34 -7.189 -9.409 3.400 1.00 0.00 C ATOM 482 C ALA A 34 -5.684 -9.173 3.464 1.00 0.00 C ATOM 483 O ALA A 34 -5.137 -8.776 4.494 1.00 0.00 O ATOM 484 CB ALA A 34 -7.937 -8.088 3.492 1.00 0.00 C ATOM 0 H ALA A 34 -8.499 -10.042 4.910 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.416 -9.877 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.602 -7.424 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.007 -8.268 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.738 -7.624 4.458 1.00 0.00 H new ATOM 490 N PRO A 35 -4.997 -9.422 2.340 1.00 0.00 N ATOM 491 CA PRO A 35 -3.545 -9.243 2.243 1.00 0.00 C ATOM 492 C PRO A 35 -3.138 -7.774 2.283 1.00 0.00 C ATOM 493 O PRO A 35 -3.866 -6.904 1.804 1.00 0.00 O ATOM 494 CB PRO A 35 -3.202 -9.857 0.884 1.00 0.00 C ATOM 495 CG PRO A 35 -4.458 -9.747 0.090 1.00 0.00 C ATOM 496 CD PRO A 35 -5.584 -9.897 1.076 1.00 0.00 C ATOM 0 HA PRO A 35 -3.020 -9.705 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.382 -9.323 0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.888 -10.896 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.513 -8.787 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.504 -10.521 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.452 -9.304 0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.917 -10.932 1.152 1.00 0.00 H new ATOM 504 N LEU A 36 -1.971 -7.504 2.857 1.00 0.00 N ATOM 505 CA LEU A 36 -1.466 -6.139 2.958 1.00 0.00 C ATOM 506 C LEU A 36 -1.877 -5.314 1.743 1.00 0.00 C ATOM 507 O LEU A 36 -2.373 -4.197 1.878 1.00 0.00 O ATOM 508 CB LEU A 36 0.058 -6.146 3.093 1.00 0.00 C ATOM 509 CG LEU A 36 0.683 -4.895 3.710 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.182 -4.866 3.455 1.00 0.00 C ATOM 511 CD2 LEU A 36 0.022 -3.640 3.158 1.00 0.00 C ATOM 0 H LEU A 36 -1.357 -8.212 3.260 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.901 -5.683 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.345 -7.007 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.490 -6.293 2.103 1.00 0.00 H new ATOM 0 HG LEU A 36 0.519 -4.924 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.610 -3.968 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.644 -5.748 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.368 -4.861 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.480 -2.759 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.154 -3.605 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.042 -3.656 3.393 1.00 0.00 H new ATOM 523 N GLU A 37 -1.668 -5.875 0.556 1.00 0.00 N ATOM 524 CA GLU A 37 -2.019 -5.191 -0.684 1.00 0.00 C ATOM 525 C GLU A 37 -3.361 -4.477 -0.550 1.00 0.00 C ATOM 526 O GLU A 37 -3.466 -3.279 -0.810 1.00 0.00 O ATOM 527 CB GLU A 37 -2.072 -6.187 -1.844 1.00 0.00 C ATOM 528 CG GLU A 37 -2.347 -5.539 -3.191 1.00 0.00 C ATOM 529 CD GLU A 37 -3.828 -5.453 -3.504 1.00 0.00 C ATOM 530 OE1 GLU A 37 -4.642 -5.571 -2.565 1.00 0.00 O ATOM 531 OE2 GLU A 37 -4.173 -5.268 -4.690 1.00 0.00 O ATOM 0 H GLU A 37 -1.258 -6.800 0.427 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.250 -4.446 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.124 -6.723 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.846 -6.927 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.918 -4.537 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.846 -6.109 -3.974 1.00 0.00 H new ATOM 538 N GLU A 38 -4.384 -5.223 -0.145 1.00 0.00 N ATOM 539 CA GLU A 38 -5.719 -4.662 0.021 1.00 0.00 C ATOM 540 C GLU A 38 -5.645 -3.224 0.528 1.00 0.00 C ATOM 541 O GLU A 38 -6.234 -2.317 -0.059 1.00 0.00 O ATOM 542 CB GLU A 38 -6.538 -5.515 0.992 1.00 0.00 C ATOM 543 CG GLU A 38 -7.168 -6.737 0.346 1.00 0.00 C ATOM 544 CD GLU A 38 -8.009 -6.388 -0.866 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.523 -5.252 -0.925 1.00 0.00 O ATOM 546 OE2 GLU A 38 -8.152 -7.252 -1.757 1.00 0.00 O ATOM 0 H GLU A 38 -4.314 -6.217 0.074 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.209 -4.662 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.894 -5.838 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.324 -4.899 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.383 -7.433 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.790 -7.251 1.079 1.00 0.00 H new ATOM 553 N ALA A 39 -4.919 -3.025 1.623 1.00 0.00 N ATOM 554 CA ALA A 39 -4.767 -1.699 2.209 1.00 0.00 C ATOM 555 C ALA A 39 -4.172 -0.720 1.203 1.00 0.00 C ATOM 556 O ALA A 39 -4.644 0.409 1.067 1.00 0.00 O ATOM 557 CB ALA A 39 -3.899 -1.770 3.456 1.00 0.00 C ATOM 0 H ALA A 39 -4.427 -3.766 2.122 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.756 -1.336 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.794 -0.773 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.365 -2.431 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.915 -2.158 3.193 1.00 0.00 H new ATOM 563 N ARG A 40 -3.133 -1.159 0.500 1.00 0.00 N ATOM 564 CA ARG A 40 -2.472 -0.320 -0.492 1.00 0.00 C ATOM 565 C ARG A 40 -3.472 0.189 -1.526 1.00 0.00 C ATOM 566 O ARG A 40 -3.432 1.354 -1.920 1.00 0.00 O ATOM 567 CB ARG A 40 -1.354 -1.099 -1.188 1.00 0.00 C ATOM 568 CG ARG A 40 -0.454 -0.232 -2.053 1.00 0.00 C ATOM 569 CD ARG A 40 0.727 -1.022 -2.593 1.00 0.00 C ATOM 570 NE ARG A 40 1.803 -0.149 -3.056 1.00 0.00 N ATOM 571 CZ ARG A 40 1.842 0.391 -4.269 1.00 0.00 C ATOM 572 NH1 ARG A 40 0.869 0.149 -5.137 1.00 0.00 N ATOM 573 NH2 ARG A 40 2.855 1.175 -4.615 1.00 0.00 N ATOM 0 H ARG A 40 -2.731 -2.091 0.599 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.040 0.538 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.747 -1.598 -0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.797 -1.879 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.030 0.177 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.091 0.614 -1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.107 -1.684 -1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.394 -1.655 -3.416 1.00 0.00 H new ATOM 0 HE ARG A 40 2.567 0.057 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.089 -0.453 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.901 0.565 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.605 1.363 -3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.884 1.589 -5.547 1.00 0.00 H new ATOM 587 N GLN A 41 -4.366 -0.693 -1.961 1.00 0.00 N ATOM 588 CA GLN A 41 -5.375 -0.333 -2.950 1.00 0.00 C ATOM 589 C GLN A 41 -6.260 0.798 -2.438 1.00 0.00 C ATOM 590 O GLN A 41 -6.391 1.839 -3.082 1.00 0.00 O ATOM 591 CB GLN A 41 -6.233 -1.550 -3.301 1.00 0.00 C ATOM 592 CG GLN A 41 -5.609 -2.451 -4.355 1.00 0.00 C ATOM 593 CD GLN A 41 -5.690 -1.861 -5.749 1.00 0.00 C ATOM 594 OE1 GLN A 41 -6.673 -1.209 -6.104 1.00 0.00 O ATOM 595 NE2 GLN A 41 -4.654 -2.086 -6.548 1.00 0.00 N ATOM 0 H GLN A 41 -4.412 -1.661 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.861 0.011 -3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.411 -2.132 -2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.205 -1.208 -3.656 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.564 -2.631 -4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.111 -3.418 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.860 -2.632 -6.212 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.652 -1.713 -7.497 1.00 0.00 H new ATOM 604 N PHE A 42 -6.868 0.587 -1.275 1.00 0.00 N ATOM 605 CA PHE A 42 -7.743 1.588 -0.676 1.00 0.00 C ATOM 606 C PHE A 42 -7.050 2.946 -0.611 1.00 0.00 C ATOM 607 O PHE A 42 -7.514 3.920 -1.203 1.00 0.00 O ATOM 608 CB PHE A 42 -8.167 1.151 0.727 1.00 0.00 C ATOM 609 CG PHE A 42 -9.075 2.133 1.412 1.00 0.00 C ATOM 610 CD1 PHE A 42 -10.367 2.335 0.957 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.634 2.853 2.511 1.00 0.00 C ATOM 612 CE1 PHE A 42 -11.205 3.238 1.585 1.00 0.00 C ATOM 613 CE2 PHE A 42 -9.468 3.757 3.143 1.00 0.00 C ATOM 614 CZ PHE A 42 -10.754 3.950 2.678 1.00 0.00 C ATOM 0 H PHE A 42 -6.771 -0.269 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.630 1.682 -1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.671 0.187 0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.276 1.004 1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.724 1.781 0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.629 2.707 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.211 3.386 1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.114 4.312 3.999 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.406 4.657 3.169 1.00 0.00 H new ATOM 624 N ALA A 43 -5.938 3.002 0.114 1.00 0.00 N ATOM 625 CA ALA A 43 -5.180 4.239 0.256 1.00 0.00 C ATOM 626 C ALA A 43 -4.970 4.913 -1.095 1.00 0.00 C ATOM 627 O ALA A 43 -5.119 6.127 -1.224 1.00 0.00 O ATOM 628 CB ALA A 43 -3.841 3.964 0.925 1.00 0.00 C ATOM 0 H ALA A 43 -5.542 2.205 0.612 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.755 4.918 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.286 4.897 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.009 3.535 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.268 3.264 0.318 1.00 0.00 H new ATOM 634 N ALA A 44 -4.622 4.116 -2.101 1.00 0.00 N ATOM 635 CA ALA A 44 -4.392 4.636 -3.443 1.00 0.00 C ATOM 636 C ALA A 44 -5.628 5.357 -3.971 1.00 0.00 C ATOM 637 O ALA A 44 -5.519 6.386 -4.637 1.00 0.00 O ATOM 638 CB ALA A 44 -3.994 3.509 -4.384 1.00 0.00 C ATOM 0 H ALA A 44 -4.493 3.108 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.576 5.357 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.825 3.911 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.079 3.039 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.792 2.768 -4.422 1.00 0.00 H new ATOM 644 N GLN A 45 -6.801 4.809 -3.670 1.00 0.00 N ATOM 645 CA GLN A 45 -8.057 5.400 -4.116 1.00 0.00 C ATOM 646 C GLN A 45 -8.425 6.607 -3.259 1.00 0.00 C ATOM 647 O GLN A 45 -8.991 7.583 -3.752 1.00 0.00 O ATOM 648 CB GLN A 45 -9.179 4.362 -4.067 1.00 0.00 C ATOM 649 CG GLN A 45 -9.334 3.572 -5.356 1.00 0.00 C ATOM 650 CD GLN A 45 -9.352 4.459 -6.586 1.00 0.00 C ATOM 651 OE1 GLN A 45 -8.326 4.656 -7.238 1.00 0.00 O ATOM 652 NE2 GLN A 45 -10.521 4.999 -6.910 1.00 0.00 N ATOM 0 H GLN A 45 -6.908 3.957 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.927 5.735 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.987 3.670 -3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.119 4.866 -3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.515 2.857 -5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.258 2.995 -5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.346 4.809 -6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.594 5.604 -7.728 1.00 0.00 H new ATOM 661 N THR A 46 -8.102 6.533 -1.972 1.00 0.00 N ATOM 662 CA THR A 46 -8.400 7.618 -1.045 1.00 0.00 C ATOM 663 C THR A 46 -7.719 8.912 -1.476 1.00 0.00 C ATOM 664 O THR A 46 -8.328 9.982 -1.457 1.00 0.00 O ATOM 665 CB THR A 46 -7.956 7.270 0.388 1.00 0.00 C ATOM 666 OG1 THR A 46 -8.561 6.040 0.804 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.337 8.380 1.357 1.00 0.00 C ATOM 0 H THR A 46 -7.634 5.733 -1.547 1.00 0.00 H new ATOM 0 HA THR A 46 -9.481 7.758 -1.059 1.00 0.00 H new ATOM 0 HB THR A 46 -6.871 7.161 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.189 5.299 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.013 8.112 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.852 9.309 1.055 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.419 8.516 1.348 1.00 0.00 H new ATOM 675 N VAL A 47 -6.452 8.807 -1.865 1.00 0.00 N ATOM 676 CA VAL A 47 -5.689 9.969 -2.303 1.00 0.00 C ATOM 677 C VAL A 47 -5.643 10.055 -3.825 1.00 0.00 C ATOM 678 O VAL A 47 -5.544 11.142 -4.393 1.00 0.00 O ATOM 679 CB VAL A 47 -4.249 9.933 -1.758 1.00 0.00 C ATOM 680 CG1 VAL A 47 -4.254 9.850 -0.239 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.481 8.766 -2.361 1.00 0.00 C ATOM 0 H VAL A 47 -5.933 7.929 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.197 10.848 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.747 10.857 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.228 9.826 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.765 10.721 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.773 8.944 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.465 8.755 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.980 7.831 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.447 8.874 -3.445 1.00 0.00 H new ATOM 691 N GLY A 48 -5.715 8.901 -4.480 1.00 0.00 N ATOM 692 CA GLY A 48 -5.680 8.867 -5.930 1.00 0.00 C ATOM 693 C GLY A 48 -4.385 9.418 -6.492 1.00 0.00 C ATOM 694 O GLY A 48 -3.339 9.340 -5.849 1.00 0.00 O ATOM 0 H GLY A 48 -5.797 7.988 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.812 7.840 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.517 9.443 -6.324 1.00 0.00 H new ATOM 698 N ASN A 49 -4.453 9.975 -7.697 1.00 0.00 N ATOM 699 CA ASN A 49 -3.275 10.539 -8.346 1.00 0.00 C ATOM 700 C ASN A 49 -2.614 11.587 -7.457 1.00 0.00 C ATOM 701 O ASN A 49 -1.415 11.848 -7.571 1.00 0.00 O ATOM 702 CB ASN A 49 -3.658 11.162 -9.690 1.00 0.00 C ATOM 703 CG ASN A 49 -4.111 10.125 -10.700 1.00 0.00 C ATOM 704 OD1 ASN A 49 -3.349 9.235 -11.078 1.00 0.00 O ATOM 705 ND2 ASN A 49 -5.359 10.235 -11.142 1.00 0.00 N ATOM 0 H ASN A 49 -5.311 10.048 -8.244 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.563 9.732 -8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.456 11.888 -9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.804 11.707 -10.091 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.720 9.566 -11.822 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.956 10.989 -10.801 1.00 0.00 H new ATOM 712 N THR A 50 -3.402 12.187 -6.570 1.00 0.00 N ATOM 713 CA THR A 50 -2.894 13.207 -5.662 1.00 0.00 C ATOM 714 C THR A 50 -1.446 12.927 -5.276 1.00 0.00 C ATOM 715 O THR A 50 -0.615 13.835 -5.248 1.00 0.00 O ATOM 716 CB THR A 50 -3.747 13.295 -4.382 1.00 0.00 C ATOM 717 OG1 THR A 50 -5.090 13.662 -4.713 1.00 0.00 O ATOM 718 CG2 THR A 50 -3.162 14.309 -3.411 1.00 0.00 C ATOM 0 H THR A 50 -4.396 11.983 -6.462 1.00 0.00 H new ATOM 0 HA THR A 50 -2.949 14.158 -6.192 1.00 0.00 H new ATOM 0 HB THR A 50 -3.747 12.316 -3.903 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.643 12.856 -4.778 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.781 14.354 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.150 14.010 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.135 15.291 -3.883 1.00 0.00 H new ATOM 726 N TYR A 51 -1.150 11.666 -4.981 1.00 0.00 N ATOM 727 CA TYR A 51 0.198 11.268 -4.595 1.00 0.00 C ATOM 728 C TYR A 51 0.898 10.536 -5.736 1.00 0.00 C ATOM 729 O TYR A 51 2.108 10.657 -5.917 1.00 0.00 O ATOM 730 CB TYR A 51 0.153 10.375 -3.353 1.00 0.00 C ATOM 731 CG TYR A 51 -0.275 11.104 -2.099 1.00 0.00 C ATOM 732 CD1 TYR A 51 -1.443 11.856 -2.073 1.00 0.00 C ATOM 733 CD2 TYR A 51 0.489 11.039 -0.940 1.00 0.00 C ATOM 734 CE1 TYR A 51 -1.837 12.523 -0.929 1.00 0.00 C ATOM 735 CE2 TYR A 51 0.102 11.702 0.208 1.00 0.00 C ATOM 736 CZ TYR A 51 -1.062 12.443 0.208 1.00 0.00 C ATOM 737 OH TYR A 51 -1.452 13.106 1.350 1.00 0.00 O ATOM 0 H TYR A 51 -1.826 10.902 -5.002 1.00 0.00 H new ATOM 0 HA TYR A 51 0.764 12.171 -4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.534 9.548 -3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.140 9.941 -3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.053 11.920 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.401 10.460 -0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.747 13.104 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.707 11.641 1.101 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.293 13.581 1.182 1.00 0.00 H new ATOM 747 N GLY A 52 0.124 9.775 -6.505 1.00 0.00 N ATOM 748 CA GLY A 52 0.685 9.034 -7.619 1.00 0.00 C ATOM 749 C GLY A 52 1.124 7.638 -7.225 1.00 0.00 C ATOM 750 O GLY A 52 0.326 6.846 -6.727 1.00 0.00 O ATOM 0 H GLY A 52 -0.881 9.659 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.055 8.967 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.538 9.580 -8.021 1.00 0.00 H new ATOM 754 N ASN A 53 2.399 7.335 -7.451 1.00 0.00 N ATOM 755 CA ASN A 53 2.942 6.023 -7.118 1.00 0.00 C ATOM 756 C ASN A 53 3.639 6.052 -5.761 1.00 0.00 C ATOM 757 O ASN A 53 4.859 6.194 -5.680 1.00 0.00 O ATOM 758 CB ASN A 53 3.925 5.566 -8.198 1.00 0.00 C ATOM 759 CG ASN A 53 4.492 4.187 -7.918 1.00 0.00 C ATOM 760 OD1 ASN A 53 3.826 3.174 -8.134 1.00 0.00 O ATOM 761 ND2 ASN A 53 5.728 4.144 -7.434 1.00 0.00 N ATOM 0 H ASN A 53 3.074 7.979 -7.863 1.00 0.00 H new ATOM 0 HA ASN A 53 2.114 5.316 -7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.421 5.559 -9.165 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.742 6.284 -8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.163 3.245 -7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.242 5.010 -7.271 1.00 0.00 H new ATOM 768 N PHE A 54 2.855 5.914 -4.696 1.00 0.00 N ATOM 769 CA PHE A 54 3.396 5.925 -3.342 1.00 0.00 C ATOM 770 C PHE A 54 3.588 4.503 -2.822 1.00 0.00 C ATOM 771 O PHE A 54 3.099 3.542 -3.416 1.00 0.00 O ATOM 772 CB PHE A 54 2.469 6.702 -2.406 1.00 0.00 C ATOM 773 CG PHE A 54 1.112 6.078 -2.252 1.00 0.00 C ATOM 774 CD1 PHE A 54 0.967 4.845 -1.637 1.00 0.00 C ATOM 775 CD2 PHE A 54 -0.020 6.724 -2.723 1.00 0.00 C ATOM 776 CE1 PHE A 54 -0.280 4.267 -1.494 1.00 0.00 C ATOM 777 CE2 PHE A 54 -1.270 6.152 -2.583 1.00 0.00 C ATOM 778 CZ PHE A 54 -1.401 4.921 -1.968 1.00 0.00 C ATOM 0 H PHE A 54 1.843 5.793 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 54 4.368 6.417 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.938 6.779 -1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.352 7.718 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.840 4.329 -1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.076 7.686 -3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.378 3.305 -1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.144 6.666 -2.954 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.377 4.472 -1.858 1.00 0.00 H new ATOM 788 N SER A 55 4.303 4.378 -1.709 1.00 0.00 N ATOM 789 CA SER A 55 4.563 3.074 -1.110 1.00 0.00 C ATOM 790 C SER A 55 4.063 3.028 0.331 1.00 0.00 C ATOM 791 O SER A 55 3.542 4.015 0.851 1.00 0.00 O ATOM 792 CB SER A 55 6.060 2.760 -1.152 1.00 0.00 C ATOM 793 OG SER A 55 6.415 2.132 -2.372 1.00 0.00 O ATOM 0 H SER A 55 4.713 5.164 -1.204 1.00 0.00 H new ATOM 0 HA SER A 55 4.024 2.323 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.631 3.681 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.323 2.112 -0.316 1.00 0.00 H new ATOM 0 HG SER A 55 7.377 1.943 -2.375 1.00 0.00 H new ATOM 799 N LEU A 56 4.224 1.875 0.970 1.00 0.00 N ATOM 800 CA LEU A 56 3.790 1.698 2.351 1.00 0.00 C ATOM 801 C LEU A 56 4.916 1.129 3.208 1.00 0.00 C ATOM 802 O LEU A 56 5.613 0.201 2.798 1.00 0.00 O ATOM 803 CB LEU A 56 2.573 0.773 2.409 1.00 0.00 C ATOM 804 CG LEU A 56 1.313 1.275 1.702 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.263 0.178 1.638 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.761 2.505 2.407 1.00 0.00 C ATOM 0 H LEU A 56 4.652 1.048 0.554 1.00 0.00 H new ATOM 0 HA LEU A 56 3.516 2.676 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.851 -0.187 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.330 0.591 3.456 1.00 0.00 H new ATOM 0 HG LEU A 56 1.578 1.554 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.626 0.554 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.661 -0.675 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.000 -0.133 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.135 2.849 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.512 2.252 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.511 3.296 2.399 1.00 0.00 H new ATOM 818 N ALA A 57 5.087 1.691 4.400 1.00 0.00 N ATOM 819 CA ALA A 57 6.126 1.237 5.316 1.00 0.00 C ATOM 820 C ALA A 57 5.646 1.298 6.763 1.00 0.00 C ATOM 821 O ALA A 57 4.632 1.927 7.066 1.00 0.00 O ATOM 822 CB ALA A 57 7.386 2.072 5.141 1.00 0.00 C ATOM 0 H ALA A 57 4.520 2.461 4.754 1.00 0.00 H new ATOM 0 HA ALA A 57 6.356 0.198 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.153 1.722 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.747 1.975 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.161 3.118 5.349 1.00 0.00 H new ATOM 828 N THR A 58 6.382 0.639 7.653 1.00 0.00 N ATOM 829 CA THR A 58 6.030 0.617 9.068 1.00 0.00 C ATOM 830 C THR A 58 6.434 1.916 9.755 1.00 0.00 C ATOM 831 O THR A 58 6.987 2.817 9.125 1.00 0.00 O ATOM 832 CB THR A 58 6.700 -0.565 9.794 1.00 0.00 C ATOM 833 OG1 THR A 58 8.103 -0.586 9.505 1.00 0.00 O ATOM 834 CG2 THR A 58 6.071 -1.885 9.374 1.00 0.00 C ATOM 0 H THR A 58 7.225 0.114 7.419 1.00 0.00 H new ATOM 0 HA THR A 58 4.948 0.502 9.123 1.00 0.00 H new ATOM 0 HB THR A 58 6.552 -0.435 10.866 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.282 -1.243 8.800 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.561 -2.705 9.900 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.010 -1.877 9.622 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.192 -2.020 8.299 1.00 0.00 H new ATOM 842 N MET A 59 6.155 2.005 11.052 1.00 0.00 N ATOM 843 CA MET A 59 6.492 3.195 11.825 1.00 0.00 C ATOM 844 C MET A 59 7.576 2.886 12.852 1.00 0.00 C ATOM 845 O MET A 59 8.565 3.612 12.963 1.00 0.00 O ATOM 846 CB MET A 59 5.248 3.742 12.528 1.00 0.00 C ATOM 847 CG MET A 59 4.385 4.622 11.638 1.00 0.00 C ATOM 848 SD MET A 59 3.356 3.668 10.506 1.00 0.00 S ATOM 849 CE MET A 59 2.185 4.917 9.979 1.00 0.00 C ATOM 0 H MET A 59 5.697 1.268 11.589 1.00 0.00 H new ATOM 0 HA MET A 59 6.872 3.950 11.137 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.649 2.907 12.890 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.557 4.315 13.402 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.748 5.249 12.262 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.026 5.291 11.064 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.179 4.497 9.982 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.226 5.765 10.662 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.436 5.250 8.972 1.00 0.00 H new ATOM 859 N PHE A 60 7.385 1.806 13.602 1.00 0.00 N ATOM 860 CA PHE A 60 8.346 1.403 14.622 1.00 0.00 C ATOM 861 C PHE A 60 9.600 0.813 13.984 1.00 0.00 C ATOM 862 O PHE A 60 10.684 1.395 14.032 1.00 0.00 O ATOM 863 CB PHE A 60 7.716 0.382 15.572 1.00 0.00 C ATOM 864 CG PHE A 60 7.168 0.993 16.830 1.00 0.00 C ATOM 865 CD1 PHE A 60 8.009 1.314 17.884 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.812 1.247 16.959 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.508 1.876 19.043 1.00 0.00 C ATOM 868 CE2 PHE A 60 5.305 1.810 18.115 1.00 0.00 C ATOM 869 CZ PHE A 60 6.154 2.124 19.159 1.00 0.00 C ATOM 0 H PHE A 60 6.573 1.194 13.523 1.00 0.00 H new ATOM 0 HA PHE A 60 8.630 2.290 15.189 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.913 -0.140 15.051 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.463 -0.366 15.836 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.068 1.123 17.799 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.143 1.002 16.147 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.174 2.121 19.857 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.246 2.004 18.202 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.760 2.562 20.064 1.00 0.00 H new ATOM 879 N PRO A 61 9.451 -0.371 13.371 1.00 0.00 N ATOM 880 CA PRO A 61 10.560 -1.066 12.711 1.00 0.00 C ATOM 881 C PRO A 61 11.017 -0.355 11.441 1.00 0.00 C ATOM 882 O PRO A 61 12.040 -0.709 10.854 1.00 0.00 O ATOM 883 CB PRO A 61 9.969 -2.437 12.373 1.00 0.00 C ATOM 884 CG PRO A 61 8.501 -2.203 12.277 1.00 0.00 C ATOM 885 CD PRO A 61 8.188 -1.121 13.274 1.00 0.00 C ATOM 0 HA PRO A 61 11.446 -1.113 13.345 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.371 -2.821 11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.203 -3.170 13.145 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.220 -1.898 11.269 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.945 -3.113 12.502 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.369 -0.487 12.935 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.892 -1.536 14.238 1.00 0.00 H new ATOM 893 N ARG A 62 10.252 0.648 11.023 1.00 0.00 N ATOM 894 CA ARG A 62 10.579 1.408 9.822 1.00 0.00 C ATOM 895 C ARG A 62 11.258 0.520 8.785 1.00 0.00 C ATOM 896 O ARG A 62 12.355 0.824 8.315 1.00 0.00 O ATOM 897 CB ARG A 62 11.486 2.589 10.171 1.00 0.00 C ATOM 898 CG ARG A 62 10.727 3.862 10.509 1.00 0.00 C ATOM 899 CD ARG A 62 9.878 4.331 9.338 1.00 0.00 C ATOM 900 NE ARG A 62 9.545 5.750 9.438 1.00 0.00 N ATOM 901 CZ ARG A 62 9.234 6.507 8.391 1.00 0.00 C ATOM 902 NH1 ARG A 62 9.214 5.984 7.173 1.00 0.00 N ATOM 903 NH2 ARG A 62 8.943 7.790 8.562 1.00 0.00 N ATOM 0 H ARG A 62 9.402 0.953 11.498 1.00 0.00 H new ATOM 0 HA ARG A 62 9.649 1.786 9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.115 2.315 11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.152 2.785 9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.089 3.688 11.376 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.433 4.645 10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.413 4.149 8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.960 3.745 9.298 1.00 0.00 H new ATOM 0 HE ARG A 62 9.552 6.183 10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.438 4.998 7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.975 6.568 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.958 8.196 9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.704 8.370 7.758 1.00 0.00 H new ATOM 917 N ARG A 63 10.600 -0.580 8.432 1.00 0.00 N ATOM 918 CA ARG A 63 11.141 -1.513 7.452 1.00 0.00 C ATOM 919 C ARG A 63 10.251 -1.580 6.215 1.00 0.00 C ATOM 920 O ARG A 63 9.091 -1.985 6.295 1.00 0.00 O ATOM 921 CB ARG A 63 11.283 -2.907 8.067 1.00 0.00 C ATOM 922 CG ARG A 63 12.420 -3.722 7.473 1.00 0.00 C ATOM 923 CD ARG A 63 12.590 -5.050 8.195 1.00 0.00 C ATOM 924 NE ARG A 63 11.467 -5.952 7.952 1.00 0.00 N ATOM 925 CZ ARG A 63 11.493 -7.250 8.233 1.00 0.00 C ATOM 926 NH1 ARG A 63 12.578 -7.795 8.764 1.00 0.00 N ATOM 927 NH2 ARG A 63 10.431 -8.005 7.983 1.00 0.00 N ATOM 0 H ARG A 63 9.691 -0.846 8.811 1.00 0.00 H new ATOM 0 HA ARG A 63 12.125 -1.154 7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.442 -2.807 9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.348 -3.451 7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.225 -3.904 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.347 -3.153 7.533 1.00 0.00 H new ATOM 0 HD2 ARG A 63 13.514 -5.525 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.686 -4.871 9.266 1.00 0.00 H new ATOM 0 HE ARG A 63 10.616 -5.564 7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.396 -7.217 8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.595 -8.792 8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.594 -7.589 7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.452 -9.002 8.199 1.00 0.00 H new ATOM 941 N GLU A 64 10.801 -1.179 5.073 1.00 0.00 N ATOM 942 CA GLU A 64 10.055 -1.192 3.820 1.00 0.00 C ATOM 943 C GLU A 64 9.581 -2.603 3.484 1.00 0.00 C ATOM 944 O GLU A 64 10.389 -3.499 3.237 1.00 0.00 O ATOM 945 CB GLU A 64 10.919 -0.647 2.681 1.00 0.00 C ATOM 946 CG GLU A 64 10.116 -0.006 1.561 1.00 0.00 C ATOM 947 CD GLU A 64 10.893 0.080 0.262 1.00 0.00 C ATOM 948 OE1 GLU A 64 11.217 -0.983 -0.308 1.00 0.00 O ATOM 949 OE2 GLU A 64 11.176 1.211 -0.186 1.00 0.00 O ATOM 0 H GLU A 64 11.760 -0.841 4.990 1.00 0.00 H new ATOM 0 HA GLU A 64 9.180 -0.553 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.615 0.088 3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.517 -1.460 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.204 -0.581 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.811 0.995 1.865 1.00 0.00 H new ATOM 956 N PHE A 65 8.266 -2.793 3.477 1.00 0.00 N ATOM 957 CA PHE A 65 7.684 -4.095 3.173 1.00 0.00 C ATOM 958 C PHE A 65 8.275 -4.669 1.888 1.00 0.00 C ATOM 959 O PHE A 65 8.990 -3.981 1.158 1.00 0.00 O ATOM 960 CB PHE A 65 6.164 -3.979 3.040 1.00 0.00 C ATOM 961 CG PHE A 65 5.467 -3.713 4.344 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.127 -4.757 5.189 1.00 0.00 C ATOM 963 CD2 PHE A 65 5.153 -2.418 4.725 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.485 -4.514 6.388 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.511 -2.169 5.924 1.00 0.00 C ATOM 966 CZ PHE A 65 4.178 -3.219 6.757 1.00 0.00 C ATOM 0 H PHE A 65 7.583 -2.062 3.678 1.00 0.00 H new ATOM 0 HA PHE A 65 7.920 -4.771 3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.929 -3.176 2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.773 -4.901 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.366 -5.772 4.907 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.413 -1.594 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.223 -5.337 7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.270 -1.155 6.209 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.678 -3.028 7.695 1.00 0.00 H new ATOM 976 N THR A 66 7.972 -5.935 1.618 1.00 0.00 N ATOM 977 CA THR A 66 8.474 -6.603 0.424 1.00 0.00 C ATOM 978 C THR A 66 7.332 -7.183 -0.402 1.00 0.00 C ATOM 979 O THR A 66 6.296 -7.570 0.139 1.00 0.00 O ATOM 980 CB THR A 66 9.458 -7.732 0.783 1.00 0.00 C ATOM 981 OG1 THR A 66 9.606 -8.625 -0.326 1.00 0.00 O ATOM 982 CG2 THR A 66 8.973 -8.504 2.001 1.00 0.00 C ATOM 0 H THR A 66 7.381 -6.518 2.211 1.00 0.00 H new ATOM 0 HA THR A 66 8.998 -5.849 -0.164 1.00 0.00 H new ATOM 0 HB THR A 66 10.423 -7.282 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.235 -9.339 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.684 -9.296 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.890 -7.827 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.998 -8.942 1.789 1.00 0.00 H new ATOM 990 N ARG A 67 7.528 -7.241 -1.716 1.00 0.00 N ATOM 991 CA ARG A 67 6.513 -7.774 -2.617 1.00 0.00 C ATOM 992 C ARG A 67 5.846 -9.008 -2.015 1.00 0.00 C ATOM 993 O ARG A 67 4.635 -9.192 -2.138 1.00 0.00 O ATOM 994 CB ARG A 67 7.136 -8.127 -3.969 1.00 0.00 C ATOM 995 CG ARG A 67 8.217 -9.192 -3.882 1.00 0.00 C ATOM 996 CD ARG A 67 8.739 -9.569 -5.260 1.00 0.00 C ATOM 997 NE ARG A 67 10.078 -10.148 -5.198 1.00 0.00 N ATOM 998 CZ ARG A 67 11.163 -9.456 -4.866 1.00 0.00 C ATOM 999 NH1 ARG A 67 11.067 -8.168 -4.568 1.00 0.00 N ATOM 1000 NH2 ARG A 67 12.347 -10.054 -4.832 1.00 0.00 N ATOM 0 H ARG A 67 8.380 -6.926 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 67 5.753 -7.006 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.351 -8.472 -4.642 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.561 -7.225 -4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.040 -8.828 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.818 -10.078 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.057 -10.282 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.756 -8.684 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 67 10.187 -11.137 -5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.158 -7.705 -4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.902 -7.640 -4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.425 -11.045 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.180 -9.523 -4.577 1.00 0.00 H new ATOM 1014 N GLU A 68 6.644 -9.849 -1.365 1.00 0.00 N ATOM 1015 CA GLU A 68 6.130 -11.065 -0.746 1.00 0.00 C ATOM 1016 C GLU A 68 5.135 -10.732 0.361 1.00 0.00 C ATOM 1017 O GLU A 68 4.108 -11.397 0.508 1.00 0.00 O ATOM 1018 CB GLU A 68 7.280 -11.900 -0.179 1.00 0.00 C ATOM 1019 CG GLU A 68 8.147 -12.546 -1.247 1.00 0.00 C ATOM 1020 CD GLU A 68 9.056 -13.623 -0.688 1.00 0.00 C ATOM 1021 OE1 GLU A 68 10.119 -13.272 -0.134 1.00 0.00 O ATOM 1022 OE2 GLU A 68 8.706 -14.816 -0.804 1.00 0.00 O ATOM 0 H GLU A 68 7.648 -9.711 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 68 5.614 -11.643 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.905 -11.264 0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.870 -12.679 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.507 -12.979 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.753 -11.780 -1.731 1.00 0.00 H new ATOM 1029 N ASP A 69 5.446 -9.701 1.138 1.00 0.00 N ATOM 1030 CA ASP A 69 4.579 -9.279 2.233 1.00 0.00 C ATOM 1031 C ASP A 69 3.171 -8.981 1.727 1.00 0.00 C ATOM 1032 O ASP A 69 2.183 -9.301 2.387 1.00 0.00 O ATOM 1033 CB ASP A 69 5.159 -8.043 2.923 1.00 0.00 C ATOM 1034 CG ASP A 69 6.329 -8.380 3.827 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.951 -9.442 3.619 1.00 0.00 O ATOM 1036 OD2 ASP A 69 6.621 -7.583 4.742 1.00 0.00 O ATOM 0 H ASP A 69 6.292 -9.141 1.030 1.00 0.00 H new ATOM 0 HA ASP A 69 4.521 -10.095 2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.482 -7.327 2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.379 -7.558 3.509 1.00 0.00 H new ATOM 1041 N TYR A 70 3.088 -8.366 0.552 1.00 0.00 N ATOM 1042 CA TYR A 70 1.801 -8.021 -0.040 1.00 0.00 C ATOM 1043 C TYR A 70 1.004 -9.277 -0.381 1.00 0.00 C ATOM 1044 O TYR A 70 -0.225 -9.250 -0.440 1.00 0.00 O ATOM 1045 CB TYR A 70 2.006 -7.176 -1.299 1.00 0.00 C ATOM 1046 CG TYR A 70 2.353 -5.734 -1.010 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.566 -4.966 -0.160 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.467 -5.137 -1.588 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.879 -3.647 0.107 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.788 -3.819 -1.326 1.00 0.00 C ATOM 1051 CZ TYR A 70 2.991 -3.079 -0.478 1.00 0.00 C ATOM 1052 OH TYR A 70 3.307 -1.765 -0.216 1.00 0.00 O ATOM 0 H TYR A 70 3.896 -8.096 -0.009 1.00 0.00 H new ATOM 0 HA TYR A 70 1.237 -7.442 0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.801 -7.619 -1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.098 -7.209 -1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.694 -5.408 0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.093 -5.713 -2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.256 -3.064 0.770 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.658 -3.371 -1.783 1.00 0.00 H new ATOM 0 HH TYR A 70 4.120 -1.520 -0.706 1.00 0.00 H new ATOM 1062 N LYS A 71 1.714 -10.378 -0.604 1.00 0.00 N ATOM 1063 CA LYS A 71 1.076 -11.646 -0.937 1.00 0.00 C ATOM 1064 C LYS A 71 0.536 -12.328 0.315 1.00 0.00 C ATOM 1065 O LYS A 71 -0.454 -13.058 0.258 1.00 0.00 O ATOM 1066 CB LYS A 71 2.070 -12.569 -1.645 1.00 0.00 C ATOM 1067 CG LYS A 71 2.826 -11.896 -2.777 1.00 0.00 C ATOM 1068 CD LYS A 71 1.878 -11.303 -3.806 1.00 0.00 C ATOM 1069 CE LYS A 71 1.515 -9.865 -3.467 1.00 0.00 C ATOM 1070 NZ LYS A 71 1.134 -9.089 -4.679 1.00 0.00 N ATOM 0 H LYS A 71 2.732 -10.417 -0.560 1.00 0.00 H new ATOM 0 HA LYS A 71 0.240 -11.440 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.786 -12.946 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.534 -13.432 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.464 -11.110 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.481 -12.621 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.341 -11.340 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.971 -11.906 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.689 -9.857 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.361 -9.382 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.894 -8.115 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.931 -9.075 -5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.311 -9.535 -5.132 1.00 0.00 H new ATOM 1084 N ARG A 72 1.190 -12.084 1.446 1.00 0.00 N ATOM 1085 CA ARG A 72 0.774 -12.675 2.712 1.00 0.00 C ATOM 1086 C ARG A 72 -0.428 -11.933 3.290 1.00 0.00 C ATOM 1087 O ARG A 72 -0.704 -10.794 2.915 1.00 0.00 O ATOM 1088 CB ARG A 72 1.930 -12.653 3.714 1.00 0.00 C ATOM 1089 CG ARG A 72 3.183 -13.354 3.214 1.00 0.00 C ATOM 1090 CD ARG A 72 4.436 -12.786 3.863 1.00 0.00 C ATOM 1091 NE ARG A 72 4.778 -13.486 5.098 1.00 0.00 N ATOM 1092 CZ ARG A 72 5.475 -14.617 5.133 1.00 0.00 C ATOM 1093 NH1 ARG A 72 5.901 -15.172 4.007 1.00 0.00 N ATOM 1094 NH2 ARG A 72 5.746 -15.194 6.296 1.00 0.00 N ATOM 0 H ARG A 72 2.010 -11.481 1.511 1.00 0.00 H new ATOM 0 HA ARG A 72 0.485 -13.709 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.174 -11.618 3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.605 -13.125 4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.114 -14.421 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.253 -13.248 2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.270 -12.856 3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.286 -11.728 4.076 1.00 0.00 H new ATOM 0 HE ARG A 72 4.465 -13.085 5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.694 -14.731 3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.436 -16.040 4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.419 -14.770 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.281 -16.062 6.322 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.138 -12.588 4.203 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.311 -11.991 4.830 1.00 0.00 C ATOM 1110 C ARG A 73 -1.901 -10.986 5.903 1.00 0.00 C ATOM 1111 O ARG A 73 -0.814 -11.080 6.475 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.194 -13.078 5.446 1.00 0.00 C ATOM 1113 CG ARG A 73 -3.644 -14.134 4.449 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.738 -15.017 5.029 1.00 0.00 C ATOM 1115 NE ARG A 73 -5.197 -16.019 4.072 1.00 0.00 N ATOM 1116 CZ ARG A 73 -4.493 -17.097 3.742 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -3.305 -17.310 4.289 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -4.979 -17.964 2.862 1.00 0.00 N ATOM 0 H ARG A 73 -0.922 -13.531 4.525 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.876 -11.465 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.648 -13.563 6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.073 -12.612 5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.008 -13.649 3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.792 -14.750 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.366 -15.515 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.580 -14.397 5.336 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.108 -15.885 3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.928 -16.646 4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.767 -18.138 4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.893 -17.803 2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.438 -18.791 2.609 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.777 -10.024 6.170 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.507 -9.000 7.173 1.00 0.00 C ATOM 1134 C LEU A 74 -2.206 -9.632 8.528 1.00 0.00 C ATOM 1135 O LEU A 74 -1.117 -9.459 9.077 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.700 -8.050 7.295 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.790 -6.947 6.239 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.233 -6.505 6.051 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.915 -5.765 6.627 1.00 0.00 C ATOM 0 H LEU A 74 -3.681 -9.932 5.706 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.632 -8.435 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.615 -8.641 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.667 -7.582 8.279 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.427 -7.347 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.278 -5.720 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.834 -7.354 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.623 -6.123 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.991 -4.990 5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.247 -5.365 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.878 -6.091 6.710 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.176 -10.366 9.062 1.00 0.00 N ATOM 1152 CA LEU A 75 -3.014 -11.026 10.353 1.00 0.00 C ATOM 1153 C LEU A 75 -1.682 -11.767 10.422 1.00 0.00 C ATOM 1154 O LEU A 75 -1.038 -11.810 11.470 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.166 -12.002 10.597 1.00 0.00 C ATOM 1156 CG LEU A 75 -3.986 -13.410 10.029 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -5.101 -14.326 10.509 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.942 -13.370 8.509 1.00 0.00 C ATOM 0 H LEU A 75 -4.083 -10.519 8.621 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.024 -10.260 11.129 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.325 -12.083 11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.074 -11.574 10.172 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.037 -13.808 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.956 -15.324 10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.085 -14.379 11.598 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.063 -13.932 10.179 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.813 -14.381 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.874 -12.952 8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.107 -12.749 8.185 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.275 -12.347 9.298 1.00 0.00 N ATOM 1171 CA ASP A 76 -0.018 -13.084 9.230 1.00 0.00 C ATOM 1172 C ASP A 76 1.170 -12.154 9.461 1.00 0.00 C ATOM 1173 O ASP A 76 2.186 -12.557 10.029 1.00 0.00 O ATOM 1174 CB ASP A 76 0.118 -13.778 7.874 1.00 0.00 C ATOM 1175 CG ASP A 76 -0.464 -15.178 7.880 1.00 0.00 C ATOM 1176 OD1 ASP A 76 0.202 -16.095 8.404 1.00 0.00 O ATOM 1177 OD2 ASP A 76 -1.586 -15.357 7.360 1.00 0.00 O ATOM 0 H ASP A 76 -1.797 -12.321 8.422 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.024 -13.839 10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.384 -13.182 7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.171 -13.827 7.598 1.00 0.00 H new ATOM 1182 N LEU A 77 1.035 -10.910 9.016 1.00 0.00 N ATOM 1183 CA LEU A 77 2.098 -9.923 9.172 1.00 0.00 C ATOM 1184 C LEU A 77 1.977 -9.200 10.510 1.00 0.00 C ATOM 1185 O LEU A 77 2.575 -8.144 10.712 1.00 0.00 O ATOM 1186 CB LEU A 77 2.053 -8.910 8.027 1.00 0.00 C ATOM 1187 CG LEU A 77 2.280 -9.472 6.623 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.538 -8.641 5.588 1.00 0.00 C ATOM 1189 CD2 LEU A 77 3.767 -9.523 6.304 1.00 0.00 C ATOM 0 H LEU A 77 0.201 -10.561 8.545 1.00 0.00 H new ATOM 0 HA LEU A 77 3.053 -10.447 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.082 -8.414 8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.806 -8.145 8.216 1.00 0.00 H new ATOM 0 HG LEU A 77 1.887 -10.488 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.712 -9.056 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.470 -8.657 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.900 -7.613 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.910 -9.925 5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.185 -8.517 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.273 -10.163 7.027 1.00 0.00 H new ATOM 1201 N GLU A 78 1.201 -9.779 11.421 1.00 0.00 N ATOM 1202 CA GLU A 78 1.004 -9.190 12.741 1.00 0.00 C ATOM 1203 C GLU A 78 0.253 -7.866 12.639 1.00 0.00 C ATOM 1204 O GLU A 78 0.491 -6.942 13.418 1.00 0.00 O ATOM 1205 CB GLU A 78 2.351 -8.973 13.433 1.00 0.00 C ATOM 1206 CG GLU A 78 3.212 -10.223 13.496 1.00 0.00 C ATOM 1207 CD GLU A 78 4.674 -9.913 13.750 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.175 -8.916 13.189 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.318 -10.666 14.510 1.00 0.00 O ATOM 0 H GLU A 78 0.699 -10.654 11.270 1.00 0.00 H new ATOM 0 HA GLU A 78 0.406 -9.882 13.334 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.898 -8.191 12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.175 -8.612 14.446 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.841 -10.876 14.286 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.118 -10.772 12.559 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.655 -7.781 11.673 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.442 -6.570 11.467 1.00 0.00 C ATOM 1218 C LEU A 79 -2.929 -6.847 11.665 1.00 0.00 C ATOM 1219 O LEU A 79 -3.779 -6.109 11.167 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.198 -6.011 10.064 1.00 0.00 C ATOM 1221 CG LEU A 79 0.242 -6.083 9.555 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.363 -5.405 8.199 1.00 0.00 C ATOM 1223 CD2 LEU A 79 1.195 -5.448 10.557 1.00 0.00 C ATOM 0 H LEU A 79 -0.865 -8.536 11.020 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.127 -5.832 12.205 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.837 -6.549 9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.516 -4.968 10.049 1.00 0.00 H new ATOM 0 HG LEU A 79 0.514 -7.132 9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.395 -5.466 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.290 -5.904 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.072 -4.358 8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.215 -5.509 10.178 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.924 -4.403 10.705 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.129 -5.977 11.508 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.235 -7.913 12.396 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.619 -8.285 12.664 1.00 0.00 C ATOM 1237 C ALA A 80 -5.318 -7.226 13.510 1.00 0.00 C ATOM 1238 O ALA A 80 -6.312 -6.626 13.099 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.678 -9.639 13.355 1.00 0.00 C ATOM 0 H ALA A 80 -2.543 -8.535 12.814 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.142 -8.354 11.710 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.717 -9.904 13.549 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.225 -10.395 12.714 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.134 -9.590 14.298 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.789 -6.990 14.719 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.348 -6.002 15.648 1.00 0.00 C ATOM 1247 C PRO A 81 -5.136 -4.571 15.168 1.00 0.00 C ATOM 1248 O PRO A 81 -5.963 -4.022 14.440 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.569 -6.253 16.942 1.00 0.00 C ATOM 1250 CG PRO A 81 -3.282 -6.858 16.499 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.606 -7.668 15.274 1.00 0.00 C ATOM 0 HA PRO A 81 -6.427 -6.108 15.756 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.402 -5.326 17.490 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.113 -6.923 17.608 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.545 -6.087 16.274 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.856 -7.486 17.281 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.777 -7.674 14.566 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.819 -8.707 15.524 1.00 0.00 H new ATOM 1259 N SER A 82 -4.024 -3.971 15.581 1.00 0.00 N ATOM 1260 CA SER A 82 -3.706 -2.601 15.195 1.00 0.00 C ATOM 1261 C SER A 82 -2.449 -2.558 14.331 1.00 0.00 C ATOM 1262 O SER A 82 -1.486 -3.283 14.579 1.00 0.00 O ATOM 1263 CB SER A 82 -3.513 -1.731 16.438 1.00 0.00 C ATOM 1264 OG SER A 82 -2.302 -2.049 17.101 1.00 0.00 O ATOM 0 H SER A 82 -3.328 -4.412 16.183 1.00 0.00 H new ATOM 0 HA SER A 82 -4.540 -2.211 14.612 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.509 -0.679 16.152 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.352 -1.873 17.119 1.00 0.00 H new ATOM 0 HG SER A 82 -2.202 -1.478 17.891 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.467 -1.702 13.314 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.330 -1.562 12.414 1.00 0.00 C ATOM 1272 C ALA A 83 -1.198 -0.127 11.915 1.00 0.00 C ATOM 1273 O ALA A 83 -2.178 0.615 11.865 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.465 -2.520 11.240 1.00 0.00 C ATOM 0 H ALA A 83 -3.257 -1.095 13.093 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.426 -1.811 12.970 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.609 -2.404 10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.502 -3.545 11.609 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.381 -2.298 10.693 1.00 0.00 H new ATOM 1280 N SER A 84 0.020 0.257 11.547 1.00 0.00 N ATOM 1281 CA SER A 84 0.281 1.606 11.057 1.00 0.00 C ATOM 1282 C SER A 84 1.209 1.573 9.846 1.00 0.00 C ATOM 1283 O SER A 84 2.350 1.119 9.936 1.00 0.00 O ATOM 1284 CB SER A 84 0.897 2.464 12.163 1.00 0.00 C ATOM 1285 OG SER A 84 0.185 2.316 13.379 1.00 0.00 O ATOM 0 H SER A 84 0.842 -0.347 11.579 1.00 0.00 H new ATOM 0 HA SER A 84 -0.669 2.046 10.754 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.939 2.179 12.311 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.893 3.511 11.860 1.00 0.00 H new ATOM 0 HG SER A 84 -0.428 3.072 13.494 1.00 0.00 H new ATOM 1291 N VAL A 85 0.712 2.059 8.713 1.00 0.00 N ATOM 1292 CA VAL A 85 1.495 2.088 7.484 1.00 0.00 C ATOM 1293 C VAL A 85 1.678 3.516 6.982 1.00 0.00 C ATOM 1294 O VAL A 85 0.713 4.183 6.610 1.00 0.00 O ATOM 1295 CB VAL A 85 0.833 1.247 6.377 1.00 0.00 C ATOM 1296 CG1 VAL A 85 1.074 -0.236 6.615 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.657 1.547 6.299 1.00 0.00 C ATOM 0 H VAL A 85 -0.230 2.438 8.621 1.00 0.00 H new ATOM 0 HA VAL A 85 2.470 1.662 7.720 1.00 0.00 H new ATOM 0 HB VAL A 85 1.286 1.515 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.599 -0.814 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.146 -0.435 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.651 -0.524 7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.109 0.944 5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.127 1.308 7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.804 2.604 6.076 1.00 0.00 H new ATOM 1307 N VAL A 86 2.924 3.979 6.974 1.00 0.00 N ATOM 1308 CA VAL A 86 3.235 5.327 6.515 1.00 0.00 C ATOM 1309 C VAL A 86 3.196 5.414 4.994 1.00 0.00 C ATOM 1310 O VAL A 86 3.827 4.615 4.300 1.00 0.00 O ATOM 1311 CB VAL A 86 4.621 5.782 7.009 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.507 6.475 8.359 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.573 4.599 7.087 1.00 0.00 C ATOM 0 H VAL A 86 3.734 3.440 7.280 1.00 0.00 H new ATOM 0 HA VAL A 86 2.474 5.986 6.932 1.00 0.00 H new ATOM 0 HB VAL A 86 5.025 6.498 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.496 6.789 8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.861 7.348 8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.082 5.785 9.088 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.548 4.939 7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.176 3.858 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.679 4.151 6.099 1.00 0.00 H new ATOM 1323 N LEU A 87 2.453 6.388 4.481 1.00 0.00 N ATOM 1324 CA LEU A 87 2.332 6.580 3.040 1.00 0.00 C ATOM 1325 C LEU A 87 3.497 7.404 2.500 1.00 0.00 C ATOM 1326 O LEU A 87 3.718 8.538 2.926 1.00 0.00 O ATOM 1327 CB LEU A 87 1.008 7.269 2.707 1.00 0.00 C ATOM 1328 CG LEU A 87 0.598 7.260 1.234 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.917 7.249 1.101 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.190 8.459 0.508 1.00 0.00 C ATOM 0 H LEU A 87 1.925 7.057 5.041 1.00 0.00 H new ATOM 0 HA LEU A 87 2.354 5.599 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.218 6.792 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.067 8.305 3.041 1.00 0.00 H new ATOM 0 HG LEU A 87 0.989 6.352 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.190 7.243 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.318 6.358 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.331 8.138 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.888 8.436 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.830 9.378 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.277 8.423 0.572 1.00 0.00 H new ATOM 1342 N LEU A 88 4.237 6.827 1.561 1.00 0.00 N ATOM 1343 CA LEU A 88 5.379 7.508 0.960 1.00 0.00 C ATOM 1344 C LEU A 88 5.103 7.850 -0.500 1.00 0.00 C ATOM 1345 O LEU A 88 5.117 6.987 -1.379 1.00 0.00 O ATOM 1346 CB LEU A 88 6.631 6.636 1.064 1.00 0.00 C ATOM 1347 CG LEU A 88 7.044 6.220 2.476 1.00 0.00 C ATOM 1348 CD1 LEU A 88 7.861 4.937 2.437 1.00 0.00 C ATOM 1349 CD2 LEU A 88 7.829 7.334 3.152 1.00 0.00 C ATOM 0 H LEU A 88 4.067 5.889 1.199 1.00 0.00 H new ATOM 0 HA LEU A 88 5.545 8.437 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.471 5.734 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.462 7.173 0.607 1.00 0.00 H new ATOM 0 HG LEU A 88 6.141 6.034 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.146 4.656 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.265 4.139 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.758 5.095 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.115 7.020 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.725 7.552 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.210 8.229 3.214 1.00 0.00 H new ATOM 1361 N PRO A 89 4.847 9.139 -0.769 1.00 0.00 N ATOM 1362 CA PRO A 89 4.566 9.625 -2.123 1.00 0.00 C ATOM 1363 C PRO A 89 5.797 9.580 -3.022 1.00 0.00 C ATOM 1364 O PRO A 89 6.921 9.770 -2.561 1.00 0.00 O ATOM 1365 CB PRO A 89 4.123 11.072 -1.895 1.00 0.00 C ATOM 1366 CG PRO A 89 4.765 11.468 -0.611 1.00 0.00 C ATOM 1367 CD PRO A 89 4.814 10.221 0.229 1.00 0.00 C ATOM 0 HA PRO A 89 3.821 9.012 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.443 11.717 -2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.037 11.149 -1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.766 11.864 -0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.193 12.251 -0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.695 10.203 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.944 10.141 0.880 1.00 0.00 H new ATOM 1375 N ALA A 90 5.575 9.328 -4.308 1.00 0.00 N ATOM 1376 CA ALA A 90 6.666 9.261 -5.272 1.00 0.00 C ATOM 1377 C ALA A 90 6.954 10.633 -5.873 1.00 0.00 C ATOM 1378 O ALA A 90 6.537 10.932 -6.991 1.00 0.00 O ATOM 1379 CB ALA A 90 6.339 8.260 -6.371 1.00 0.00 C ATOM 0 H ALA A 90 4.650 9.167 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 90 7.561 8.928 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.163 8.220 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.191 7.273 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.429 8.569 -6.885 1.00 0.00 H new