USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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: A1807 GLN : amide:sc= 1.06 K(o=0.67,f=-1.9) USER MOD Set 1.2: A1850 CYS SG : rot -166:sc= -0.395 USER MOD Single : A1787 SER OG : rot 180:sc= -0.0052 USER MOD Single : A1793 MET CE :methyl -157:sc= -0.0928 (180deg=-0.978) USER MOD Single : A1795 TYR OH : rot 180:sc= 0 USER MOD Single : A1800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1806 THR OG1 : rot -54:sc= 0.662 USER MOD Single : A1811 TYR OH : rot 180:sc= 0 USER MOD Single : A1812 SER OG : rot 180:sc= 0 USER MOD Single : A1815 SER OG : rot 180:sc= 0 USER MOD Single : A1822 SER OG : rot 180:sc= 0 USER MOD Single : A1829 LYS NZ :NH3+ 175:sc= 2.15 (180deg=2.08) USER MOD Single : A1831 ASN : amide:sc= 1.75 K(o=1.8,f=-4!) USER MOD Single : A1832 GLN : amide:sc= 0.79 K(o=0.79,f=-5.5!) USER MOD Single : A1834 SER OG : rot 180:sc= 0 USER MOD Single : A1837 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A1838 MET CE :methyl -164:sc= 0 (180deg=-0.207) USER MOD Single : A1842 MET CE :methyl -109:sc= 0 (180deg=-0.216) USER MOD Single : A1844 SER OG : rot 180:sc= 0 USER MOD Single : A1849 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD Single : A1851 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1858 THR OG1 : rot -74:sc= 0.934 USER MOD Single : A1859 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 226 N LEU A1786 9.681 15.303 -33.507 1.00 0.00 N ATOM 227 CA LEU A1786 9.309 13.891 -33.292 1.00 0.00 C ATOM 228 C LEU A1786 9.739 13.404 -31.897 1.00 0.00 C ATOM 229 O LEU A1786 10.631 13.985 -31.275 1.00 0.00 O ATOM 230 CB LEU A1786 9.967 13.031 -34.399 1.00 0.00 C ATOM 231 CG LEU A1786 9.388 13.223 -35.817 1.00 0.00 C ATOM 232 CD1 LEU A1786 10.342 12.619 -36.854 1.00 0.00 C ATOM 233 CD2 LEU A1786 8.032 12.535 -35.967 1.00 0.00 C ATOM 0 HA LEU A1786 8.225 13.795 -33.344 1.00 0.00 H new ATOM 0 HB2 LEU A1786 11.033 13.257 -34.426 1.00 0.00 H new ATOM 0 HB3 LEU A1786 9.871 11.980 -34.125 1.00 0.00 H new ATOM 0 HG LEU A1786 9.266 14.294 -35.976 1.00 0.00 H new ATOM 0 HD11 LEU A1786 9.928 12.757 -37.853 1.00 0.00 H new ATOM 0 HD12 LEU A1786 11.310 13.115 -36.790 1.00 0.00 H new ATOM 0 HD13 LEU A1786 10.467 11.554 -36.657 1.00 0.00 H new ATOM 0 HD21 LEU A1786 7.655 12.691 -36.978 1.00 0.00 H new ATOM 0 HD22 LEU A1786 8.144 11.467 -35.782 1.00 0.00 H new ATOM 0 HD23 LEU A1786 7.329 12.956 -35.248 1.00 0.00 H new ATOM 245 N SER A1787 9.122 12.324 -31.414 1.00 0.00 N ATOM 246 CA SER A1787 9.394 11.677 -30.119 1.00 0.00 C ATOM 247 C SER A1787 9.279 10.143 -30.205 1.00 0.00 C ATOM 248 O SER A1787 8.894 9.585 -31.233 1.00 0.00 O ATOM 249 CB SER A1787 8.435 12.257 -29.068 1.00 0.00 C ATOM 250 OG SER A1787 8.827 11.896 -27.751 1.00 0.00 O ATOM 0 H SER A1787 8.384 11.851 -31.936 1.00 0.00 H new ATOM 0 HA SER A1787 10.423 11.885 -29.827 1.00 0.00 H new ATOM 0 HB2 SER A1787 8.410 13.343 -29.157 1.00 0.00 H new ATOM 0 HB3 SER A1787 7.424 11.898 -29.259 1.00 0.00 H new ATOM 0 HG SER A1787 8.198 12.281 -27.105 1.00 0.00 H new ATOM 256 N GLU A1788 9.614 9.442 -29.117 1.00 0.00 N ATOM 257 CA GLU A1788 9.542 7.976 -28.982 1.00 0.00 C ATOM 258 C GLU A1788 8.137 7.427 -29.312 1.00 0.00 C ATOM 259 O GLU A1788 8.006 6.354 -29.899 1.00 0.00 O ATOM 260 CB GLU A1788 9.958 7.600 -27.547 1.00 0.00 C ATOM 261 CG GLU A1788 10.203 6.101 -27.314 1.00 0.00 C ATOM 262 CD GLU A1788 11.513 5.619 -27.982 1.00 0.00 C ATOM 263 OE1 GLU A1788 12.586 5.689 -27.333 1.00 0.00 O ATOM 264 OE2 GLU A1788 11.477 5.159 -29.148 1.00 0.00 O ATOM 0 H GLU A1788 9.957 9.895 -28.270 1.00 0.00 H new ATOM 0 HA GLU A1788 10.222 7.521 -29.702 1.00 0.00 H new ATOM 0 HB2 GLU A1788 10.867 8.145 -27.294 1.00 0.00 H new ATOM 0 HB3 GLU A1788 9.182 7.937 -26.860 1.00 0.00 H new ATOM 0 HG2 GLU A1788 10.247 5.903 -26.243 1.00 0.00 H new ATOM 0 HG3 GLU A1788 9.363 5.530 -27.709 1.00 0.00 H new ATOM 271 N ASP A1789 7.083 8.183 -28.979 1.00 0.00 N ATOM 272 CA ASP A1789 5.675 7.862 -29.258 1.00 0.00 C ATOM 273 C ASP A1789 5.362 7.727 -30.763 1.00 0.00 C ATOM 274 O ASP A1789 4.550 6.888 -31.144 1.00 0.00 O ATOM 275 CB ASP A1789 4.802 8.952 -28.622 1.00 0.00 C ATOM 276 CG ASP A1789 3.300 8.642 -28.733 1.00 0.00 C ATOM 277 OD1 ASP A1789 2.816 7.731 -28.018 1.00 0.00 O ATOM 278 OD2 ASP A1789 2.590 9.332 -29.506 1.00 0.00 O ATOM 0 H ASP A1789 7.191 9.071 -28.488 1.00 0.00 H new ATOM 0 HA ASP A1789 5.459 6.884 -28.827 1.00 0.00 H new ATOM 0 HB2 ASP A1789 5.071 9.061 -27.571 1.00 0.00 H new ATOM 0 HB3 ASP A1789 5.009 9.907 -29.105 1.00 0.00 H new ATOM 283 N ASP A1790 6.026 8.504 -31.631 1.00 0.00 N ATOM 284 CA ASP A1790 5.861 8.415 -33.090 1.00 0.00 C ATOM 285 C ASP A1790 6.440 7.108 -33.653 1.00 0.00 C ATOM 286 O ASP A1790 5.803 6.438 -34.467 1.00 0.00 O ATOM 287 CB ASP A1790 6.509 9.623 -33.786 1.00 0.00 C ATOM 288 CG ASP A1790 5.891 10.950 -33.319 1.00 0.00 C ATOM 289 OD1 ASP A1790 4.737 11.249 -33.703 1.00 0.00 O ATOM 290 OD2 ASP A1790 6.563 11.696 -32.569 1.00 0.00 O ATOM 0 H ASP A1790 6.696 9.216 -31.340 1.00 0.00 H new ATOM 0 HA ASP A1790 4.790 8.420 -33.293 1.00 0.00 H new ATOM 0 HB2 ASP A1790 7.580 9.629 -33.582 1.00 0.00 H new ATOM 0 HB3 ASP A1790 6.391 9.527 -34.865 1.00 0.00 H new ATOM 295 N PHE A1791 7.642 6.721 -33.201 1.00 0.00 N ATOM 296 CA PHE A1791 8.282 5.456 -33.569 1.00 0.00 C ATOM 297 C PHE A1791 7.515 4.244 -33.015 1.00 0.00 C ATOM 298 O PHE A1791 7.289 3.273 -33.738 1.00 0.00 O ATOM 299 CB PHE A1791 9.744 5.471 -33.092 1.00 0.00 C ATOM 300 CG PHE A1791 10.565 6.598 -33.701 1.00 0.00 C ATOM 301 CD1 PHE A1791 10.876 6.568 -35.075 1.00 0.00 C ATOM 302 CD2 PHE A1791 10.984 7.685 -32.915 1.00 0.00 C ATOM 303 CE1 PHE A1791 11.594 7.627 -35.658 1.00 0.00 C ATOM 304 CE2 PHE A1791 11.699 8.745 -33.497 1.00 0.00 C ATOM 305 CZ PHE A1791 12.004 8.717 -34.872 1.00 0.00 C ATOM 0 H PHE A1791 8.201 7.287 -32.562 1.00 0.00 H new ATOM 0 HA PHE A1791 8.265 5.356 -34.654 1.00 0.00 H new ATOM 0 HB2 PHE A1791 9.764 5.563 -32.006 1.00 0.00 H new ATOM 0 HB3 PHE A1791 10.209 4.517 -33.340 1.00 0.00 H new ATOM 0 HD1 PHE A1791 10.563 5.731 -35.681 1.00 0.00 H new ATOM 0 HD2 PHE A1791 10.755 7.706 -31.860 1.00 0.00 H new ATOM 0 HE1 PHE A1791 11.831 7.603 -36.711 1.00 0.00 H new ATOM 0 HE2 PHE A1791 12.015 9.581 -32.891 1.00 0.00 H new ATOM 0 HZ PHE A1791 12.552 9.532 -35.321 1.00 0.00 H new ATOM 315 N ASP A1792 7.054 4.307 -31.762 1.00 0.00 N ATOM 316 CA ASP A1792 6.172 3.290 -31.166 1.00 0.00 C ATOM 317 C ASP A1792 4.878 3.097 -31.988 1.00 0.00 C ATOM 318 O ASP A1792 4.531 1.962 -32.320 1.00 0.00 O ATOM 319 CB ASP A1792 5.854 3.662 -29.714 1.00 0.00 C ATOM 320 CG ASP A1792 5.006 2.581 -29.026 1.00 0.00 C ATOM 321 OD1 ASP A1792 5.561 1.510 -28.681 1.00 0.00 O ATOM 322 OD2 ASP A1792 3.791 2.801 -28.815 1.00 0.00 O ATOM 0 H ASP A1792 7.282 5.070 -31.125 1.00 0.00 H new ATOM 0 HA ASP A1792 6.698 2.336 -31.179 1.00 0.00 H new ATOM 0 HB2 ASP A1792 6.783 3.802 -29.162 1.00 0.00 H new ATOM 0 HB3 ASP A1792 5.322 4.613 -29.690 1.00 0.00 H new ATOM 327 N MET A1793 4.211 4.192 -32.378 1.00 0.00 N ATOM 328 CA MET A1793 3.050 4.190 -33.273 1.00 0.00 C ATOM 329 C MET A1793 3.368 3.569 -34.645 1.00 0.00 C ATOM 330 O MET A1793 2.610 2.715 -35.114 1.00 0.00 O ATOM 331 CB MET A1793 2.494 5.620 -33.371 1.00 0.00 C ATOM 332 CG MET A1793 1.349 5.810 -34.373 1.00 0.00 C ATOM 333 SD MET A1793 1.837 6.253 -36.069 1.00 0.00 S ATOM 334 CE MET A1793 2.618 7.870 -35.810 1.00 0.00 C ATOM 0 H MET A1793 4.473 5.128 -32.070 1.00 0.00 H new ATOM 0 HA MET A1793 2.275 3.548 -32.854 1.00 0.00 H new ATOM 0 HB2 MET A1793 2.146 5.925 -32.384 1.00 0.00 H new ATOM 0 HB3 MET A1793 3.309 6.291 -33.643 1.00 0.00 H new ATOM 0 HG2 MET A1793 0.770 4.887 -34.412 1.00 0.00 H new ATOM 0 HG3 MET A1793 0.685 6.587 -33.993 1.00 0.00 H new ATOM 0 HE1 MET A1793 2.596 8.438 -36.740 1.00 0.00 H new ATOM 0 HE2 MET A1793 2.076 8.416 -35.038 1.00 0.00 H new ATOM 0 HE3 MET A1793 3.652 7.728 -35.496 1.00 0.00 H new ATOM 344 N PHE A1794 4.499 3.926 -35.267 1.00 0.00 N ATOM 345 CA PHE A1794 4.956 3.306 -36.519 1.00 0.00 C ATOM 346 C PHE A1794 5.037 1.776 -36.397 1.00 0.00 C ATOM 347 O PHE A1794 4.417 1.066 -37.192 1.00 0.00 O ATOM 348 CB PHE A1794 6.283 3.929 -36.984 1.00 0.00 C ATOM 349 CG PHE A1794 6.752 3.479 -38.362 1.00 0.00 C ATOM 350 CD1 PHE A1794 7.494 2.291 -38.503 1.00 0.00 C ATOM 351 CD2 PHE A1794 6.493 4.273 -39.498 1.00 0.00 C ATOM 352 CE1 PHE A1794 7.970 1.900 -39.768 1.00 0.00 C ATOM 353 CE2 PHE A1794 6.985 3.890 -40.759 1.00 0.00 C ATOM 354 CZ PHE A1794 7.723 2.703 -40.898 1.00 0.00 C ATOM 0 H PHE A1794 5.123 4.653 -34.917 1.00 0.00 H new ATOM 0 HA PHE A1794 4.214 3.513 -37.290 1.00 0.00 H new ATOM 0 HB2 PHE A1794 6.177 5.014 -36.988 1.00 0.00 H new ATOM 0 HB3 PHE A1794 7.057 3.687 -36.255 1.00 0.00 H new ATOM 0 HD1 PHE A1794 7.698 1.678 -37.638 1.00 0.00 H new ATOM 0 HD2 PHE A1794 5.914 5.179 -39.400 1.00 0.00 H new ATOM 0 HE1 PHE A1794 8.527 0.981 -39.873 1.00 0.00 H new ATOM 0 HE2 PHE A1794 6.795 4.510 -41.622 1.00 0.00 H new ATOM 0 HZ PHE A1794 8.099 2.408 -41.866 1.00 0.00 H new ATOM 364 N TYR A1795 5.748 1.247 -35.394 1.00 0.00 N ATOM 365 CA TYR A1795 5.881 -0.202 -35.183 1.00 0.00 C ATOM 366 C TYR A1795 4.560 -0.899 -34.801 1.00 0.00 C ATOM 367 O TYR A1795 4.299 -2.010 -35.270 1.00 0.00 O ATOM 368 CB TYR A1795 6.968 -0.492 -34.136 1.00 0.00 C ATOM 369 CG TYR A1795 8.364 -0.001 -34.501 1.00 0.00 C ATOM 370 CD1 TYR A1795 8.946 -0.357 -35.738 1.00 0.00 C ATOM 371 CD2 TYR A1795 9.093 0.794 -33.594 1.00 0.00 C ATOM 372 CE1 TYR A1795 10.235 0.109 -36.076 1.00 0.00 C ATOM 373 CE2 TYR A1795 10.378 1.258 -33.925 1.00 0.00 C ATOM 374 CZ TYR A1795 10.953 0.923 -35.171 1.00 0.00 C ATOM 375 OH TYR A1795 12.200 1.375 -35.483 1.00 0.00 O ATOM 0 H TYR A1795 6.248 1.810 -34.705 1.00 0.00 H new ATOM 0 HA TYR A1795 6.175 -0.624 -36.144 1.00 0.00 H new ATOM 0 HB2 TYR A1795 6.673 -0.033 -33.192 1.00 0.00 H new ATOM 0 HB3 TYR A1795 7.011 -1.568 -33.967 1.00 0.00 H new ATOM 0 HD1 TYR A1795 8.403 -0.987 -36.427 1.00 0.00 H new ATOM 0 HD2 TYR A1795 8.661 1.049 -32.637 1.00 0.00 H new ATOM 0 HE1 TYR A1795 10.673 -0.157 -37.027 1.00 0.00 H new ATOM 0 HE2 TYR A1795 10.926 1.872 -33.226 1.00 0.00 H new ATOM 0 HH TYR A1795 12.544 1.921 -34.746 1.00 0.00 H new ATOM 385 N GLU A1796 3.700 -0.263 -34.002 1.00 0.00 N ATOM 386 CA GLU A1796 2.380 -0.796 -33.618 1.00 0.00 C ATOM 387 C GLU A1796 1.429 -0.962 -34.820 1.00 0.00 C ATOM 388 O GLU A1796 0.617 -1.894 -34.847 1.00 0.00 O ATOM 389 CB GLU A1796 1.761 0.111 -32.537 1.00 0.00 C ATOM 390 CG GLU A1796 0.428 -0.420 -31.995 1.00 0.00 C ATOM 391 CD GLU A1796 -0.051 0.387 -30.778 1.00 0.00 C ATOM 392 OE1 GLU A1796 -0.655 1.474 -30.961 1.00 0.00 O ATOM 393 OE2 GLU A1796 0.135 -0.073 -29.622 1.00 0.00 O ATOM 0 H GLU A1796 3.899 0.651 -33.595 1.00 0.00 H new ATOM 0 HA GLU A1796 2.527 -1.798 -33.215 1.00 0.00 H new ATOM 0 HB2 GLU A1796 2.466 0.215 -31.712 1.00 0.00 H new ATOM 0 HB3 GLU A1796 1.606 1.107 -32.952 1.00 0.00 H new ATOM 0 HG2 GLU A1796 -0.327 -0.378 -32.780 1.00 0.00 H new ATOM 0 HG3 GLU A1796 0.540 -1.468 -31.716 1.00 0.00 H new ATOM 400 N ILE A1797 1.538 -0.094 -35.831 1.00 0.00 N ATOM 401 CA ILE A1797 0.810 -0.204 -37.098 1.00 0.00 C ATOM 402 C ILE A1797 1.528 -1.147 -38.084 1.00 0.00 C ATOM 403 O ILE A1797 0.865 -1.906 -38.786 1.00 0.00 O ATOM 404 CB ILE A1797 0.560 1.212 -37.672 1.00 0.00 C ATOM 405 CG1 ILE A1797 -0.291 2.101 -36.728 1.00 0.00 C ATOM 406 CG2 ILE A1797 -0.112 1.163 -39.052 1.00 0.00 C ATOM 407 CD1 ILE A1797 -1.687 1.572 -36.376 1.00 0.00 C ATOM 0 H ILE A1797 2.148 0.722 -35.790 1.00 0.00 H new ATOM 0 HA ILE A1797 -0.163 -0.663 -36.921 1.00 0.00 H new ATOM 0 HB ILE A1797 1.549 1.660 -37.769 1.00 0.00 H new ATOM 0 HG12 ILE A1797 0.264 2.246 -35.801 1.00 0.00 H new ATOM 0 HG13 ILE A1797 -0.403 3.082 -37.190 1.00 0.00 H new ATOM 0 HG21 ILE A1797 -0.269 2.178 -39.417 1.00 0.00 H new ATOM 0 HG22 ILE A1797 0.528 0.622 -39.749 1.00 0.00 H new ATOM 0 HG23 ILE A1797 -1.073 0.654 -38.971 1.00 0.00 H new ATOM 0 HD11 ILE A1797 -2.186 2.277 -35.712 1.00 0.00 H new ATOM 0 HD12 ILE A1797 -2.273 1.456 -37.288 1.00 0.00 H new ATOM 0 HD13 ILE A1797 -1.595 0.607 -35.878 1.00 0.00 H new ATOM 419 N TRP A1798 2.867 -1.163 -38.116 1.00 0.00 N ATOM 420 CA TRP A1798 3.690 -2.013 -38.992 1.00 0.00 C ATOM 421 C TRP A1798 3.336 -3.507 -38.902 1.00 0.00 C ATOM 422 O TRP A1798 3.134 -4.170 -39.921 1.00 0.00 O ATOM 423 CB TRP A1798 5.181 -1.802 -38.686 1.00 0.00 C ATOM 424 CG TRP A1798 6.112 -2.621 -39.526 1.00 0.00 C ATOM 425 CD1 TRP A1798 6.657 -3.811 -39.181 1.00 0.00 C ATOM 426 CD2 TRP A1798 6.552 -2.365 -40.893 1.00 0.00 C ATOM 427 NE1 TRP A1798 7.385 -4.317 -40.243 1.00 0.00 N ATOM 428 CE2 TRP A1798 7.330 -3.475 -41.331 1.00 0.00 C ATOM 429 CE3 TRP A1798 6.352 -1.315 -41.819 1.00 0.00 C ATOM 430 CZ2 TRP A1798 7.846 -3.561 -42.632 1.00 0.00 C ATOM 431 CZ3 TRP A1798 6.902 -1.375 -43.109 1.00 0.00 C ATOM 432 CH2 TRP A1798 7.654 -2.492 -43.517 1.00 0.00 C ATOM 0 H TRP A1798 3.429 -0.564 -37.512 1.00 0.00 H new ATOM 0 HA TRP A1798 3.473 -1.705 -40.015 1.00 0.00 H new ATOM 0 HB2 TRP A1798 5.421 -0.748 -38.824 1.00 0.00 H new ATOM 0 HB3 TRP A1798 5.360 -2.035 -37.636 1.00 0.00 H new ATOM 0 HD1 TRP A1798 6.541 -4.293 -38.221 1.00 0.00 H new ATOM 0 HE1 TRP A1798 7.896 -5.199 -40.223 1.00 0.00 H new ATOM 0 HE3 TRP A1798 5.767 -0.454 -41.529 1.00 0.00 H new ATOM 0 HZ2 TRP A1798 8.385 -4.442 -42.948 1.00 0.00 H new ATOM 0 HZ3 TRP A1798 6.746 -0.556 -43.795 1.00 0.00 H new ATOM 0 HH2 TRP A1798 8.081 -2.525 -44.508 1.00 0.00 H new ATOM 443 N GLU A1799 3.200 -4.047 -37.688 1.00 0.00 N ATOM 444 CA GLU A1799 2.886 -5.467 -37.449 1.00 0.00 C ATOM 445 C GLU A1799 1.526 -5.926 -38.017 1.00 0.00 C ATOM 446 O GLU A1799 1.300 -7.128 -38.177 1.00 0.00 O ATOM 447 CB GLU A1799 2.986 -5.792 -35.947 1.00 0.00 C ATOM 448 CG GLU A1799 1.989 -5.012 -35.075 1.00 0.00 C ATOM 449 CD GLU A1799 2.066 -5.463 -33.607 1.00 0.00 C ATOM 450 OE1 GLU A1799 2.887 -4.915 -32.832 1.00 0.00 O ATOM 451 OE2 GLU A1799 1.304 -6.379 -33.202 1.00 0.00 O ATOM 0 H GLU A1799 3.305 -3.507 -36.829 1.00 0.00 H new ATOM 0 HA GLU A1799 3.636 -6.033 -38.002 1.00 0.00 H new ATOM 0 HB2 GLU A1799 2.821 -6.860 -35.804 1.00 0.00 H new ATOM 0 HB3 GLU A1799 3.999 -5.577 -35.605 1.00 0.00 H new ATOM 0 HG2 GLU A1799 2.200 -3.945 -35.142 1.00 0.00 H new ATOM 0 HG3 GLU A1799 0.977 -5.161 -35.452 1.00 0.00 H new ATOM 458 N LYS A1800 0.627 -4.992 -38.374 1.00 0.00 N ATOM 459 CA LYS A1800 -0.653 -5.277 -39.051 1.00 0.00 C ATOM 460 C LYS A1800 -0.475 -5.661 -40.529 1.00 0.00 C ATOM 461 O LYS A1800 -1.344 -6.327 -41.094 1.00 0.00 O ATOM 462 CB LYS A1800 -1.608 -4.074 -38.915 1.00 0.00 C ATOM 463 CG LYS A1800 -1.818 -3.647 -37.455 1.00 0.00 C ATOM 464 CD LYS A1800 -2.878 -2.550 -37.331 1.00 0.00 C ATOM 465 CE LYS A1800 -3.034 -2.156 -35.858 1.00 0.00 C ATOM 466 NZ LYS A1800 -4.165 -1.211 -35.670 1.00 0.00 N ATOM 0 H LYS A1800 0.772 -3.998 -38.197 1.00 0.00 H new ATOM 0 HA LYS A1800 -1.089 -6.144 -38.554 1.00 0.00 H new ATOM 0 HB2 LYS A1800 -1.209 -3.233 -39.482 1.00 0.00 H new ATOM 0 HB3 LYS A1800 -2.571 -4.328 -39.357 1.00 0.00 H new ATOM 0 HG2 LYS A1800 -2.119 -4.511 -36.863 1.00 0.00 H new ATOM 0 HG3 LYS A1800 -0.875 -3.290 -37.041 1.00 0.00 H new ATOM 0 HD2 LYS A1800 -2.589 -1.681 -37.922 1.00 0.00 H new ATOM 0 HD3 LYS A1800 -3.830 -2.903 -37.727 1.00 0.00 H new ATOM 0 HE2 LYS A1800 -3.199 -3.049 -35.256 1.00 0.00 H new ATOM 0 HE3 LYS A1800 -2.111 -1.698 -35.502 1.00 0.00 H new ATOM 0 HZ1 LYS A1800 -4.246 -0.962 -34.663 1.00 0.00 H new ATOM 0 HZ2 LYS A1800 -3.994 -0.349 -36.227 1.00 0.00 H new ATOM 0 HZ3 LYS A1800 -5.048 -1.659 -35.988 1.00 0.00 H new ATOM 480 N PHE A1801 0.655 -5.285 -41.138 1.00 0.00 N ATOM 481 CA PHE A1801 1.023 -5.540 -42.541 1.00 0.00 C ATOM 482 C PHE A1801 2.237 -6.474 -42.691 1.00 0.00 C ATOM 483 O PHE A1801 2.375 -7.151 -43.711 1.00 0.00 O ATOM 484 CB PHE A1801 1.271 -4.189 -43.229 1.00 0.00 C ATOM 485 CG PHE A1801 0.091 -3.242 -43.136 1.00 0.00 C ATOM 486 CD1 PHE A1801 -0.939 -3.294 -44.094 1.00 0.00 C ATOM 487 CD2 PHE A1801 -0.016 -2.348 -42.057 1.00 0.00 C ATOM 488 CE1 PHE A1801 -2.057 -2.450 -43.978 1.00 0.00 C ATOM 489 CE2 PHE A1801 -1.142 -1.517 -41.928 1.00 0.00 C ATOM 490 CZ PHE A1801 -2.158 -1.562 -42.894 1.00 0.00 C ATOM 0 H PHE A1801 1.379 -4.766 -40.641 1.00 0.00 H new ATOM 0 HA PHE A1801 0.197 -6.065 -43.021 1.00 0.00 H new ATOM 0 HB2 PHE A1801 2.144 -3.715 -42.780 1.00 0.00 H new ATOM 0 HB3 PHE A1801 1.507 -4.362 -44.279 1.00 0.00 H new ATOM 0 HD1 PHE A1801 -0.870 -3.985 -44.921 1.00 0.00 H new ATOM 0 HD2 PHE A1801 0.773 -2.299 -41.321 1.00 0.00 H new ATOM 0 HE1 PHE A1801 -2.839 -2.484 -44.722 1.00 0.00 H new ATOM 0 HE2 PHE A1801 -1.225 -0.845 -41.087 1.00 0.00 H new ATOM 0 HZ PHE A1801 -3.018 -0.914 -42.805 1.00 0.00 H new ATOM 500 N ASP A1802 3.079 -6.572 -41.656 1.00 0.00 N ATOM 501 CA ASP A1802 4.180 -7.536 -41.517 1.00 0.00 C ATOM 502 C ASP A1802 4.039 -8.335 -40.196 1.00 0.00 C ATOM 503 O ASP A1802 4.861 -8.184 -39.283 1.00 0.00 O ATOM 504 CB ASP A1802 5.509 -6.767 -41.627 1.00 0.00 C ATOM 505 CG ASP A1802 6.758 -7.649 -41.483 1.00 0.00 C ATOM 506 OD1 ASP A1802 6.720 -8.847 -41.857 1.00 0.00 O ATOM 507 OD2 ASP A1802 7.797 -7.132 -40.994 1.00 0.00 O ATOM 0 H ASP A1802 3.008 -5.950 -40.851 1.00 0.00 H new ATOM 0 HA ASP A1802 4.153 -8.279 -42.314 1.00 0.00 H new ATOM 0 HB2 ASP A1802 5.544 -6.260 -42.591 1.00 0.00 H new ATOM 0 HB3 ASP A1802 5.533 -5.993 -40.860 1.00 0.00 H new ATOM 512 N PRO A1803 3.009 -9.198 -40.060 1.00 0.00 N ATOM 513 CA PRO A1803 2.831 -10.046 -38.882 1.00 0.00 C ATOM 514 C PRO A1803 3.896 -11.153 -38.781 1.00 0.00 C ATOM 515 O PRO A1803 4.145 -11.694 -37.700 1.00 0.00 O ATOM 516 CB PRO A1803 1.418 -10.627 -39.022 1.00 0.00 C ATOM 517 CG PRO A1803 1.217 -10.704 -40.535 1.00 0.00 C ATOM 518 CD PRO A1803 1.944 -9.453 -41.028 1.00 0.00 C ATOM 0 HA PRO A1803 2.950 -9.473 -37.962 1.00 0.00 H new ATOM 0 HB2 PRO A1803 1.339 -11.609 -38.555 1.00 0.00 H new ATOM 0 HB3 PRO A1803 0.672 -9.988 -38.549 1.00 0.00 H new ATOM 0 HG2 PRO A1803 1.644 -11.614 -40.956 1.00 0.00 H new ATOM 0 HG3 PRO A1803 0.161 -10.693 -40.805 1.00 0.00 H new ATOM 0 HD2 PRO A1803 2.353 -9.608 -42.026 1.00 0.00 H new ATOM 0 HD3 PRO A1803 1.262 -8.605 -41.091 1.00 0.00 H new ATOM 526 N GLU A1804 4.556 -11.471 -39.897 1.00 0.00 N ATOM 527 CA GLU A1804 5.709 -12.379 -39.999 1.00 0.00 C ATOM 528 C GLU A1804 7.025 -11.754 -39.493 1.00 0.00 C ATOM 529 O GLU A1804 8.026 -12.462 -39.350 1.00 0.00 O ATOM 530 CB GLU A1804 5.857 -12.832 -41.461 1.00 0.00 C ATOM 531 CG GLU A1804 4.659 -13.648 -41.960 1.00 0.00 C ATOM 532 CD GLU A1804 4.917 -14.198 -43.374 1.00 0.00 C ATOM 533 OE1 GLU A1804 4.578 -13.509 -44.370 1.00 0.00 O ATOM 534 OE2 GLU A1804 5.449 -15.326 -43.505 1.00 0.00 O ATOM 0 H GLU A1804 4.290 -11.084 -40.802 1.00 0.00 H new ATOM 0 HA GLU A1804 5.515 -13.233 -39.350 1.00 0.00 H new ATOM 0 HB2 GLU A1804 5.982 -11.955 -42.096 1.00 0.00 H new ATOM 0 HB3 GLU A1804 6.763 -13.430 -41.560 1.00 0.00 H new ATOM 0 HG2 GLU A1804 4.466 -14.473 -41.275 1.00 0.00 H new ATOM 0 HG3 GLU A1804 3.766 -13.023 -41.966 1.00 0.00 H new ATOM 541 N ALA A1805 7.043 -10.448 -39.187 1.00 0.00 N ATOM 542 CA ALA A1805 8.193 -9.666 -38.722 1.00 0.00 C ATOM 543 C ALA A1805 9.433 -9.739 -39.649 1.00 0.00 C ATOM 544 O ALA A1805 10.570 -9.581 -39.198 1.00 0.00 O ATOM 545 CB ALA A1805 8.477 -10.016 -37.249 1.00 0.00 C ATOM 0 H ALA A1805 6.202 -9.877 -39.263 1.00 0.00 H new ATOM 0 HA ALA A1805 7.931 -8.609 -38.776 1.00 0.00 H new ATOM 0 HB1 ALA A1805 9.331 -9.438 -36.896 1.00 0.00 H new ATOM 0 HB2 ALA A1805 7.603 -9.778 -36.643 1.00 0.00 H new ATOM 0 HB3 ALA A1805 8.698 -11.080 -37.164 1.00 0.00 H new ATOM 551 N THR A1806 9.223 -9.967 -40.951 1.00 0.00 N ATOM 552 CA THR A1806 10.276 -10.064 -41.983 1.00 0.00 C ATOM 553 C THR A1806 11.067 -8.772 -42.201 1.00 0.00 C ATOM 554 O THR A1806 12.157 -8.824 -42.778 1.00 0.00 O ATOM 555 CB THR A1806 9.703 -10.466 -43.356 1.00 0.00 C ATOM 556 OG1 THR A1806 8.786 -9.501 -43.819 1.00 0.00 O ATOM 557 CG2 THR A1806 9.015 -11.827 -43.332 1.00 0.00 C ATOM 0 H THR A1806 8.286 -10.094 -41.333 1.00 0.00 H new ATOM 0 HA THR A1806 10.945 -10.829 -41.588 1.00 0.00 H new ATOM 0 HB THR A1806 10.556 -10.528 -44.032 1.00 0.00 H new ATOM 0 HG1 THR A1806 8.101 -9.347 -43.136 1.00 0.00 H new ATOM 0 HG21 THR A1806 8.631 -12.058 -44.326 1.00 0.00 H new ATOM 0 HG22 THR A1806 9.732 -12.592 -43.033 1.00 0.00 H new ATOM 0 HG23 THR A1806 8.190 -11.805 -42.620 1.00 0.00 H new ATOM 565 N GLN A1807 10.542 -7.628 -41.747 1.00 0.00 N ATOM 566 CA GLN A1807 11.039 -6.255 -41.951 1.00 0.00 C ATOM 567 C GLN A1807 10.757 -5.706 -43.368 1.00 0.00 C ATOM 568 O GLN A1807 11.306 -4.669 -43.746 1.00 0.00 O ATOM 569 CB GLN A1807 12.513 -6.081 -41.511 1.00 0.00 C ATOM 570 CG GLN A1807 12.825 -6.622 -40.103 1.00 0.00 C ATOM 571 CD GLN A1807 11.919 -6.046 -39.018 1.00 0.00 C ATOM 572 OE1 GLN A1807 11.944 -4.857 -38.711 1.00 0.00 O ATOM 573 NE2 GLN A1807 11.098 -6.846 -38.371 1.00 0.00 N ATOM 0 H GLN A1807 9.692 -7.635 -41.183 1.00 0.00 H new ATOM 0 HA GLN A1807 10.452 -5.626 -41.281 1.00 0.00 H new ATOM 0 HB2 GLN A1807 13.157 -6.586 -42.232 1.00 0.00 H new ATOM 0 HB3 GLN A1807 12.767 -5.021 -41.544 1.00 0.00 H new ATOM 0 HG2 GLN A1807 12.727 -7.708 -40.109 1.00 0.00 H new ATOM 0 HG3 GLN A1807 13.863 -6.397 -39.857 1.00 0.00 H new ATOM 0 HE21 GLN A1807 11.059 -7.837 -38.608 1.00 0.00 H new ATOM 0 HE22 GLN A1807 10.500 -6.475 -37.633 1.00 0.00 H new ATOM 582 N PHE A1808 9.856 -6.343 -44.139 1.00 0.00 N ATOM 583 CA PHE A1808 9.397 -5.851 -45.447 1.00 0.00 C ATOM 584 C PHE A1808 7.861 -5.885 -45.582 1.00 0.00 C ATOM 585 O PHE A1808 7.195 -6.685 -44.918 1.00 0.00 O ATOM 586 CB PHE A1808 10.029 -6.676 -46.583 1.00 0.00 C ATOM 587 CG PHE A1808 11.543 -6.820 -46.544 1.00 0.00 C ATOM 588 CD1 PHE A1808 12.369 -5.878 -47.186 1.00 0.00 C ATOM 589 CD2 PHE A1808 12.129 -7.902 -45.864 1.00 0.00 C ATOM 590 CE1 PHE A1808 13.772 -6.015 -47.133 1.00 0.00 C ATOM 591 CE2 PHE A1808 13.530 -8.034 -45.805 1.00 0.00 C ATOM 592 CZ PHE A1808 14.352 -7.090 -46.440 1.00 0.00 C ATOM 0 H PHE A1808 9.422 -7.225 -43.866 1.00 0.00 H new ATOM 0 HA PHE A1808 9.716 -4.811 -45.521 1.00 0.00 H new ATOM 0 HB2 PHE A1808 9.589 -7.673 -46.568 1.00 0.00 H new ATOM 0 HB3 PHE A1808 9.752 -6.220 -47.533 1.00 0.00 H new ATOM 0 HD1 PHE A1808 11.928 -5.049 -47.720 1.00 0.00 H new ATOM 0 HD2 PHE A1808 11.500 -8.637 -45.383 1.00 0.00 H new ATOM 0 HE1 PHE A1808 14.402 -5.291 -47.627 1.00 0.00 H new ATOM 0 HE2 PHE A1808 13.972 -8.862 -45.271 1.00 0.00 H new ATOM 0 HZ PHE A1808 15.426 -7.190 -46.396 1.00 0.00 H new ATOM 602 N ILE A1809 7.311 -5.073 -46.491 1.00 0.00 N ATOM 603 CA ILE A1809 5.927 -5.164 -46.997 1.00 0.00 C ATOM 604 C ILE A1809 5.872 -4.996 -48.520 1.00 0.00 C ATOM 605 O ILE A1809 6.822 -4.515 -49.136 1.00 0.00 O ATOM 606 CB ILE A1809 4.969 -4.156 -46.305 1.00 0.00 C ATOM 607 CG1 ILE A1809 5.397 -2.687 -46.528 1.00 0.00 C ATOM 608 CG2 ILE A1809 4.793 -4.512 -44.822 1.00 0.00 C ATOM 609 CD1 ILE A1809 4.439 -1.676 -45.892 1.00 0.00 C ATOM 0 H ILE A1809 7.832 -4.305 -46.913 1.00 0.00 H new ATOM 0 HA ILE A1809 5.579 -6.166 -46.746 1.00 0.00 H new ATOM 0 HB ILE A1809 3.991 -4.243 -46.778 1.00 0.00 H new ATOM 0 HG12 ILE A1809 6.396 -2.540 -46.117 1.00 0.00 H new ATOM 0 HG13 ILE A1809 5.462 -2.493 -47.599 1.00 0.00 H new ATOM 0 HG21 ILE A1809 4.119 -3.795 -44.353 1.00 0.00 H new ATOM 0 HG22 ILE A1809 4.374 -5.514 -44.736 1.00 0.00 H new ATOM 0 HG23 ILE A1809 5.761 -4.479 -44.323 1.00 0.00 H new ATOM 0 HD11 ILE A1809 4.797 -0.665 -46.085 1.00 0.00 H new ATOM 0 HD12 ILE A1809 3.444 -1.797 -46.321 1.00 0.00 H new ATOM 0 HD13 ILE A1809 4.393 -1.845 -44.816 1.00 0.00 H new ATOM 621 N GLU A1810 4.756 -5.396 -49.132 1.00 0.00 N ATOM 622 CA GLU A1810 4.481 -5.247 -50.571 1.00 0.00 C ATOM 623 C GLU A1810 3.962 -3.833 -50.890 1.00 0.00 C ATOM 624 O GLU A1810 3.205 -3.247 -50.109 1.00 0.00 O ATOM 625 CB GLU A1810 3.419 -6.272 -51.016 1.00 0.00 C ATOM 626 CG GLU A1810 3.723 -7.717 -50.581 1.00 0.00 C ATOM 627 CD GLU A1810 2.731 -8.717 -51.214 1.00 0.00 C ATOM 628 OE1 GLU A1810 1.620 -8.909 -50.658 1.00 0.00 O ATOM 629 OE2 GLU A1810 3.071 -9.347 -52.249 1.00 0.00 O ATOM 0 H GLU A1810 3.992 -5.847 -48.629 1.00 0.00 H new ATOM 0 HA GLU A1810 5.415 -5.417 -51.107 1.00 0.00 H new ATOM 0 HB2 GLU A1810 2.451 -5.977 -50.610 1.00 0.00 H new ATOM 0 HB3 GLU A1810 3.332 -6.241 -52.102 1.00 0.00 H new ATOM 0 HG2 GLU A1810 4.741 -7.979 -50.871 1.00 0.00 H new ATOM 0 HG3 GLU A1810 3.672 -7.790 -49.495 1.00 0.00 H new ATOM 636 N TYR A1811 4.288 -3.291 -52.069 1.00 0.00 N ATOM 637 CA TYR A1811 3.801 -1.966 -52.499 1.00 0.00 C ATOM 638 C TYR A1811 2.265 -1.869 -52.560 1.00 0.00 C ATOM 639 O TYR A1811 1.690 -0.817 -52.275 1.00 0.00 O ATOM 640 CB TYR A1811 4.422 -1.592 -53.855 1.00 0.00 C ATOM 641 CG TYR A1811 4.430 -0.098 -54.113 1.00 0.00 C ATOM 642 CD1 TYR A1811 5.274 0.730 -53.343 1.00 0.00 C ATOM 643 CD2 TYR A1811 3.617 0.464 -55.115 1.00 0.00 C ATOM 644 CE1 TYR A1811 5.299 2.118 -53.569 1.00 0.00 C ATOM 645 CE2 TYR A1811 3.630 1.857 -55.340 1.00 0.00 C ATOM 646 CZ TYR A1811 4.480 2.685 -54.569 1.00 0.00 C ATOM 647 OH TYR A1811 4.517 4.027 -54.797 1.00 0.00 O ATOM 0 H TYR A1811 4.892 -3.751 -52.751 1.00 0.00 H new ATOM 0 HA TYR A1811 4.119 -1.252 -51.739 1.00 0.00 H new ATOM 0 HB2 TYR A1811 5.445 -1.967 -53.896 1.00 0.00 H new ATOM 0 HB3 TYR A1811 3.868 -2.089 -54.651 1.00 0.00 H new ATOM 0 HD1 TYR A1811 5.902 0.297 -52.579 1.00 0.00 H new ATOM 0 HD2 TYR A1811 2.982 -0.172 -55.713 1.00 0.00 H new ATOM 0 HE1 TYR A1811 5.945 2.750 -52.977 1.00 0.00 H new ATOM 0 HE2 TYR A1811 2.994 2.290 -56.098 1.00 0.00 H new ATOM 0 HH TYR A1811 3.894 4.254 -55.519 1.00 0.00 H new ATOM 657 N SER A1812 1.597 -2.984 -52.863 1.00 0.00 N ATOM 658 CA SER A1812 0.136 -3.145 -52.899 1.00 0.00 C ATOM 659 C SER A1812 -0.564 -2.998 -51.537 1.00 0.00 C ATOM 660 O SER A1812 -1.782 -2.800 -51.506 1.00 0.00 O ATOM 661 CB SER A1812 -0.210 -4.507 -53.510 1.00 0.00 C ATOM 662 OG SER A1812 0.421 -5.545 -52.779 1.00 0.00 O ATOM 0 H SER A1812 2.084 -3.847 -53.103 1.00 0.00 H new ATOM 0 HA SER A1812 -0.239 -2.325 -53.512 1.00 0.00 H new ATOM 0 HB2 SER A1812 -1.290 -4.653 -53.504 1.00 0.00 H new ATOM 0 HB3 SER A1812 0.110 -4.539 -54.551 1.00 0.00 H new ATOM 0 HG SER A1812 0.192 -6.411 -53.177 1.00 0.00 H new ATOM 668 N VAL A1813 0.183 -3.043 -50.421 1.00 0.00 N ATOM 669 CA VAL A1813 -0.326 -2.766 -49.061 1.00 0.00 C ATOM 670 C VAL A1813 0.378 -1.589 -48.374 1.00 0.00 C ATOM 671 O VAL A1813 -0.153 -1.038 -47.407 1.00 0.00 O ATOM 672 CB VAL A1813 -0.314 -4.013 -48.155 1.00 0.00 C ATOM 673 CG1 VAL A1813 -1.158 -5.144 -48.758 1.00 0.00 C ATOM 674 CG2 VAL A1813 1.091 -4.539 -47.843 1.00 0.00 C ATOM 0 H VAL A1813 1.176 -3.277 -50.436 1.00 0.00 H new ATOM 0 HA VAL A1813 -1.365 -2.473 -49.209 1.00 0.00 H new ATOM 0 HB VAL A1813 -0.750 -3.684 -47.212 1.00 0.00 H new ATOM 0 HG11 VAL A1813 -1.131 -6.010 -48.097 1.00 0.00 H new ATOM 0 HG12 VAL A1813 -2.188 -4.808 -48.873 1.00 0.00 H new ATOM 0 HG13 VAL A1813 -0.755 -5.419 -49.733 1.00 0.00 H new ATOM 0 HG21 VAL A1813 1.017 -5.417 -47.201 1.00 0.00 H new ATOM 0 HG22 VAL A1813 1.593 -4.810 -48.772 1.00 0.00 H new ATOM 0 HG23 VAL A1813 1.665 -3.765 -47.334 1.00 0.00 H new ATOM 684 N LEU A1814 1.523 -1.121 -48.892 1.00 0.00 N ATOM 685 CA LEU A1814 2.228 0.066 -48.398 1.00 0.00 C ATOM 686 C LEU A1814 1.346 1.323 -48.439 1.00 0.00 C ATOM 687 O LEU A1814 1.347 2.106 -47.492 1.00 0.00 O ATOM 688 CB LEU A1814 3.540 0.232 -49.187 1.00 0.00 C ATOM 689 CG LEU A1814 4.519 1.238 -48.550 1.00 0.00 C ATOM 690 CD1 LEU A1814 5.950 0.869 -48.931 1.00 0.00 C ATOM 691 CD2 LEU A1814 4.321 2.681 -49.016 1.00 0.00 C ATOM 0 H LEU A1814 1.992 -1.567 -49.681 1.00 0.00 H new ATOM 0 HA LEU A1814 2.472 -0.074 -47.345 1.00 0.00 H new ATOM 0 HB2 LEU A1814 4.031 -0.738 -49.269 1.00 0.00 H new ATOM 0 HB3 LEU A1814 3.306 0.557 -50.201 1.00 0.00 H new ATOM 0 HG LEU A1814 4.327 1.184 -47.478 1.00 0.00 H new ATOM 0 HD11 LEU A1814 6.642 1.581 -48.480 1.00 0.00 H new ATOM 0 HD12 LEU A1814 6.175 -0.134 -48.570 1.00 0.00 H new ATOM 0 HD13 LEU A1814 6.056 0.897 -50.015 1.00 0.00 H new ATOM 0 HD21 LEU A1814 5.048 3.326 -48.522 1.00 0.00 H new ATOM 0 HD22 LEU A1814 4.461 2.737 -50.096 1.00 0.00 H new ATOM 0 HD23 LEU A1814 3.313 3.010 -48.763 1.00 0.00 H new ATOM 703 N SER A1815 0.548 1.502 -49.495 1.00 0.00 N ATOM 704 CA SER A1815 -0.438 2.588 -49.610 1.00 0.00 C ATOM 705 C SER A1815 -1.556 2.545 -48.557 1.00 0.00 C ATOM 706 O SER A1815 -2.071 3.595 -48.167 1.00 0.00 O ATOM 707 CB SER A1815 -1.033 2.599 -51.025 1.00 0.00 C ATOM 708 OG SER A1815 -1.590 1.334 -51.351 1.00 0.00 O ATOM 0 H SER A1815 0.567 0.888 -50.309 1.00 0.00 H new ATOM 0 HA SER A1815 0.105 3.513 -49.417 1.00 0.00 H new ATOM 0 HB2 SER A1815 -1.802 3.368 -51.094 1.00 0.00 H new ATOM 0 HB3 SER A1815 -0.259 2.857 -51.747 1.00 0.00 H new ATOM 0 HG SER A1815 -1.965 1.365 -52.256 1.00 0.00 H new ATOM 714 N ASP A1816 -1.907 1.369 -48.033 1.00 0.00 N ATOM 715 CA ASP A1816 -2.846 1.231 -46.912 1.00 0.00 C ATOM 716 C ASP A1816 -2.160 1.379 -45.543 1.00 0.00 C ATOM 717 O ASP A1816 -2.731 1.996 -44.642 1.00 0.00 O ATOM 718 CB ASP A1816 -3.588 -0.106 -47.026 1.00 0.00 C ATOM 719 CG ASP A1816 -4.846 -0.128 -46.136 1.00 0.00 C ATOM 720 OD1 ASP A1816 -5.698 0.781 -46.277 1.00 0.00 O ATOM 721 OD2 ASP A1816 -5.006 -1.069 -45.320 1.00 0.00 O ATOM 0 H ASP A1816 -1.547 0.478 -48.375 1.00 0.00 H new ATOM 0 HA ASP A1816 -3.566 2.047 -46.975 1.00 0.00 H new ATOM 0 HB2 ASP A1816 -3.872 -0.279 -48.064 1.00 0.00 H new ATOM 0 HB3 ASP A1816 -2.922 -0.919 -46.738 1.00 0.00 H new ATOM 726 N PHE A1817 -0.911 0.918 -45.401 1.00 0.00 N ATOM 727 CA PHE A1817 -0.044 1.173 -44.244 1.00 0.00 C ATOM 728 C PHE A1817 0.189 2.678 -44.037 1.00 0.00 C ATOM 729 O PHE A1817 -0.012 3.196 -42.936 1.00 0.00 O ATOM 730 CB PHE A1817 1.277 0.411 -44.408 1.00 0.00 C ATOM 731 CG PHE A1817 2.352 0.835 -43.430 1.00 0.00 C ATOM 732 CD1 PHE A1817 2.217 0.534 -42.063 1.00 0.00 C ATOM 733 CD2 PHE A1817 3.447 1.611 -43.867 1.00 0.00 C ATOM 734 CE1 PHE A1817 3.166 0.996 -41.135 1.00 0.00 C ATOM 735 CE2 PHE A1817 4.397 2.074 -42.939 1.00 0.00 C ATOM 736 CZ PHE A1817 4.251 1.768 -41.575 1.00 0.00 C ATOM 0 H PHE A1817 -0.462 0.339 -46.111 1.00 0.00 H new ATOM 0 HA PHE A1817 -0.543 0.808 -43.346 1.00 0.00 H new ATOM 0 HB2 PHE A1817 1.088 -0.656 -44.286 1.00 0.00 H new ATOM 0 HB3 PHE A1817 1.645 0.555 -45.424 1.00 0.00 H new ATOM 0 HD1 PHE A1817 1.378 -0.056 -41.724 1.00 0.00 H new ATOM 0 HD2 PHE A1817 3.555 1.849 -44.915 1.00 0.00 H new ATOM 0 HE1 PHE A1817 3.060 0.757 -40.087 1.00 0.00 H new ATOM 0 HE2 PHE A1817 5.237 2.664 -43.274 1.00 0.00 H new ATOM 0 HZ PHE A1817 4.978 2.129 -40.862 1.00 0.00 H new ATOM 746 N ALA A1818 0.540 3.400 -45.104 1.00 0.00 N ATOM 747 CA ALA A1818 0.699 4.854 -45.131 1.00 0.00 C ATOM 748 C ALA A1818 -0.545 5.620 -44.636 1.00 0.00 C ATOM 749 O ALA A1818 -0.425 6.699 -44.055 1.00 0.00 O ATOM 750 CB ALA A1818 1.067 5.263 -46.561 1.00 0.00 C ATOM 0 H ALA A1818 0.729 2.969 -46.009 1.00 0.00 H new ATOM 0 HA ALA A1818 1.492 5.125 -44.433 1.00 0.00 H new ATOM 0 HB1 ALA A1818 1.192 6.345 -46.609 1.00 0.00 H new ATOM 0 HB2 ALA A1818 1.999 4.777 -46.850 1.00 0.00 H new ATOM 0 HB3 ALA A1818 0.273 4.959 -47.242 1.00 0.00 H new ATOM 756 N ASP A1819 -1.739 5.047 -44.826 1.00 0.00 N ATOM 757 CA ASP A1819 -3.032 5.580 -44.393 1.00 0.00 C ATOM 758 C ASP A1819 -3.514 5.034 -43.023 1.00 0.00 C ATOM 759 O ASP A1819 -4.508 5.511 -42.480 1.00 0.00 O ATOM 760 CB ASP A1819 -4.061 5.305 -45.493 1.00 0.00 C ATOM 761 CG ASP A1819 -5.396 6.025 -45.260 1.00 0.00 C ATOM 762 OD1 ASP A1819 -5.392 7.274 -45.130 1.00 0.00 O ATOM 763 OD2 ASP A1819 -6.445 5.338 -45.252 1.00 0.00 O ATOM 0 H ASP A1819 -1.832 4.154 -45.310 1.00 0.00 H new ATOM 0 HA ASP A1819 -2.913 6.652 -44.236 1.00 0.00 H new ATOM 0 HB2 ASP A1819 -3.650 5.616 -46.453 1.00 0.00 H new ATOM 0 HB3 ASP A1819 -4.240 4.232 -45.555 1.00 0.00 H new ATOM 768 N ALA A1820 -2.823 4.047 -42.434 1.00 0.00 N ATOM 769 CA ALA A1820 -3.200 3.418 -41.163 1.00 0.00 C ATOM 770 C ALA A1820 -2.543 4.087 -39.939 1.00 0.00 C ATOM 771 O ALA A1820 -2.998 3.916 -38.801 1.00 0.00 O ATOM 772 CB ALA A1820 -2.854 1.928 -41.246 1.00 0.00 C ATOM 0 H ALA A1820 -1.971 3.657 -42.837 1.00 0.00 H new ATOM 0 HA ALA A1820 -4.272 3.548 -41.014 1.00 0.00 H new ATOM 0 HB1 ALA A1820 -3.126 1.439 -40.311 1.00 0.00 H new ATOM 0 HB2 ALA A1820 -3.406 1.472 -42.068 1.00 0.00 H new ATOM 0 HB3 ALA A1820 -1.784 1.812 -41.418 1.00 0.00 H new ATOM 778 N LEU A1821 -1.474 4.851 -40.168 1.00 0.00 N ATOM 779 CA LEU A1821 -0.707 5.602 -39.166 1.00 0.00 C ATOM 780 C LEU A1821 -1.489 6.810 -38.614 1.00 0.00 C ATOM 781 O LEU A1821 -2.447 7.297 -39.230 1.00 0.00 O ATOM 782 CB LEU A1821 0.604 6.065 -39.824 1.00 0.00 C ATOM 783 CG LEU A1821 1.536 4.898 -40.206 1.00 0.00 C ATOM 784 CD1 LEU A1821 2.331 5.256 -41.457 1.00 0.00 C ATOM 785 CD2 LEU A1821 2.506 4.546 -39.086 1.00 0.00 C ATOM 0 H LEU A1821 -1.097 4.971 -41.108 1.00 0.00 H new ATOM 0 HA LEU A1821 -0.506 4.952 -38.314 1.00 0.00 H new ATOM 0 HB2 LEU A1821 0.370 6.643 -40.718 1.00 0.00 H new ATOM 0 HB3 LEU A1821 1.130 6.733 -39.142 1.00 0.00 H new ATOM 0 HG LEU A1821 0.904 4.030 -40.392 1.00 0.00 H new ATOM 0 HD11 LEU A1821 2.987 4.427 -41.721 1.00 0.00 H new ATOM 0 HD12 LEU A1821 1.645 5.452 -42.281 1.00 0.00 H new ATOM 0 HD13 LEU A1821 2.930 6.146 -41.265 1.00 0.00 H new ATOM 0 HD21 LEU A1821 3.142 3.719 -39.402 1.00 0.00 H new ATOM 0 HD22 LEU A1821 3.126 5.413 -38.856 1.00 0.00 H new ATOM 0 HD23 LEU A1821 1.946 4.254 -38.198 1.00 0.00 H new ATOM 797 N SER A1822 -1.029 7.347 -37.487 1.00 0.00 N ATOM 798 CA SER A1822 -1.412 8.681 -37.005 1.00 0.00 C ATOM 799 C SER A1822 -0.541 9.760 -37.663 1.00 0.00 C ATOM 800 O SER A1822 0.574 9.500 -38.119 1.00 0.00 O ATOM 801 CB SER A1822 -1.259 8.773 -35.477 1.00 0.00 C ATOM 802 OG SER A1822 -2.087 7.818 -34.829 1.00 0.00 O ATOM 0 H SER A1822 -0.372 6.867 -36.872 1.00 0.00 H new ATOM 0 HA SER A1822 -2.456 8.844 -37.271 1.00 0.00 H new ATOM 0 HB2 SER A1822 -0.218 8.606 -35.200 1.00 0.00 H new ATOM 0 HB3 SER A1822 -1.521 9.776 -35.140 1.00 0.00 H new ATOM 0 HG SER A1822 -1.974 7.892 -33.858 1.00 0.00 H new ATOM 808 N GLU A1823 -1.016 11.004 -37.696 1.00 0.00 N ATOM 809 CA GLU A1823 -0.187 12.162 -38.054 1.00 0.00 C ATOM 810 C GLU A1823 0.991 12.322 -37.062 1.00 0.00 C ATOM 811 O GLU A1823 0.839 11.986 -35.881 1.00 0.00 O ATOM 812 CB GLU A1823 -1.047 13.437 -38.075 1.00 0.00 C ATOM 813 CG GLU A1823 -2.069 13.433 -39.215 1.00 0.00 C ATOM 814 CD GLU A1823 -2.916 14.719 -39.202 1.00 0.00 C ATOM 815 OE1 GLU A1823 -3.952 14.763 -38.492 1.00 0.00 O ATOM 816 OE2 GLU A1823 -2.564 15.698 -39.910 1.00 0.00 O ATOM 0 H GLU A1823 -1.983 11.241 -37.476 1.00 0.00 H new ATOM 0 HA GLU A1823 0.227 11.998 -39.049 1.00 0.00 H new ATOM 0 HB2 GLU A1823 -1.569 13.536 -37.123 1.00 0.00 H new ATOM 0 HB3 GLU A1823 -0.399 14.308 -38.175 1.00 0.00 H new ATOM 0 HG2 GLU A1823 -1.553 13.343 -40.171 1.00 0.00 H new ATOM 0 HG3 GLU A1823 -2.720 12.564 -39.121 1.00 0.00 H new ATOM 823 N PRO A1824 2.154 12.861 -37.484 1.00 0.00 N ATOM 824 CA PRO A1824 2.477 13.356 -38.832 1.00 0.00 C ATOM 825 C PRO A1824 2.979 12.290 -39.834 1.00 0.00 C ATOM 826 O PRO A1824 3.133 12.596 -41.017 1.00 0.00 O ATOM 827 CB PRO A1824 3.576 14.395 -38.575 1.00 0.00 C ATOM 828 CG PRO A1824 4.354 13.797 -37.402 1.00 0.00 C ATOM 829 CD PRO A1824 3.245 13.166 -36.565 1.00 0.00 C ATOM 0 HA PRO A1824 1.575 13.738 -39.310 1.00 0.00 H new ATOM 0 HB2 PRO A1824 4.211 14.535 -39.450 1.00 0.00 H new ATOM 0 HB3 PRO A1824 3.158 15.370 -38.326 1.00 0.00 H new ATOM 0 HG2 PRO A1824 5.084 13.059 -37.733 1.00 0.00 H new ATOM 0 HG3 PRO A1824 4.900 14.559 -36.846 1.00 0.00 H new ATOM 0 HD2 PRO A1824 3.599 12.262 -36.070 1.00 0.00 H new ATOM 0 HD3 PRO A1824 2.914 13.849 -35.783 1.00 0.00 H new ATOM 837 N LEU A1825 3.233 11.045 -39.404 1.00 0.00 N ATOM 838 CA LEU A1825 3.746 9.976 -40.284 1.00 0.00 C ATOM 839 C LEU A1825 2.712 9.496 -41.327 1.00 0.00 C ATOM 840 O LEU A1825 3.086 9.028 -42.400 1.00 0.00 O ATOM 841 CB LEU A1825 4.279 8.787 -39.456 1.00 0.00 C ATOM 842 CG LEU A1825 5.357 9.136 -38.407 1.00 0.00 C ATOM 843 CD1 LEU A1825 5.895 7.860 -37.761 1.00 0.00 C ATOM 844 CD2 LEU A1825 6.550 9.900 -38.996 1.00 0.00 C ATOM 0 H LEU A1825 3.090 10.748 -38.439 1.00 0.00 H new ATOM 0 HA LEU A1825 4.571 10.414 -40.846 1.00 0.00 H new ATOM 0 HB2 LEU A1825 3.439 8.317 -38.945 1.00 0.00 H new ATOM 0 HB3 LEU A1825 4.690 8.046 -40.141 1.00 0.00 H new ATOM 0 HG LEU A1825 4.865 9.778 -37.677 1.00 0.00 H new ATOM 0 HD11 LEU A1825 6.654 8.118 -37.023 1.00 0.00 H new ATOM 0 HD12 LEU A1825 5.079 7.328 -37.271 1.00 0.00 H new ATOM 0 HD13 LEU A1825 6.336 7.222 -38.527 1.00 0.00 H new ATOM 0 HD21 LEU A1825 7.270 10.114 -38.207 1.00 0.00 H new ATOM 0 HD22 LEU A1825 7.026 9.294 -39.767 1.00 0.00 H new ATOM 0 HD23 LEU A1825 6.203 10.836 -39.434 1.00 0.00 H new ATOM 856 N ARG A1826 1.416 9.671 -41.033 1.00 0.00 N ATOM 857 CA ARG A1826 0.260 9.510 -41.936 1.00 0.00 C ATOM 858 C ARG A1826 0.430 10.246 -43.268 1.00 0.00 C ATOM 859 O ARG A1826 0.652 11.457 -43.289 1.00 0.00 O ATOM 860 CB ARG A1826 -0.977 10.013 -41.160 1.00 0.00 C ATOM 861 CG ARG A1826 -2.321 10.044 -41.905 1.00 0.00 C ATOM 862 CD ARG A1826 -2.726 8.649 -42.406 1.00 0.00 C ATOM 863 NE ARG A1826 -4.134 8.578 -42.845 1.00 0.00 N ATOM 864 CZ ARG A1826 -5.214 8.470 -42.092 1.00 0.00 C ATOM 865 NH1 ARG A1826 -5.183 8.522 -40.791 1.00 0.00 N ATOM 866 NH2 ARG A1826 -6.362 8.283 -42.673 1.00 0.00 N ATOM 0 H ARG A1826 1.124 9.947 -40.096 1.00 0.00 H new ATOM 0 HA ARG A1826 0.153 8.462 -42.216 1.00 0.00 H new ATOM 0 HB2 ARG A1826 -1.097 9.386 -40.277 1.00 0.00 H new ATOM 0 HB3 ARG A1826 -0.765 11.022 -40.808 1.00 0.00 H new ATOM 0 HG2 ARG A1826 -3.095 10.432 -41.243 1.00 0.00 H new ATOM 0 HG3 ARG A1826 -2.253 10.729 -42.750 1.00 0.00 H new ATOM 0 HD2 ARG A1826 -2.078 8.365 -43.235 1.00 0.00 H new ATOM 0 HD3 ARG A1826 -2.562 7.922 -41.610 1.00 0.00 H new ATOM 0 HE ARG A1826 -4.292 8.617 -43.852 1.00 0.00 H new ATOM 0 HH11 ARG A1826 -4.295 8.652 -40.307 1.00 0.00 H new ATOM 0 HH12 ARG A1826 -6.047 8.433 -40.256 1.00 0.00 H new ATOM 0 HH21 ARG A1826 -6.415 8.223 -43.690 1.00 0.00 H new ATOM 0 HH22 ARG A1826 -7.209 8.197 -42.112 1.00 0.00 H new ATOM 880 N ILE A1827 0.231 9.522 -44.371 1.00 0.00 N ATOM 881 CA ILE A1827 0.002 10.065 -45.720 1.00 0.00 C ATOM 882 C ILE A1827 -1.405 9.638 -46.153 1.00 0.00 C ATOM 883 O ILE A1827 -1.604 8.528 -46.653 1.00 0.00 O ATOM 884 CB ILE A1827 1.097 9.656 -46.735 1.00 0.00 C ATOM 885 CG1 ILE A1827 2.540 9.869 -46.214 1.00 0.00 C ATOM 886 CG2 ILE A1827 0.925 10.454 -48.036 1.00 0.00 C ATOM 887 CD1 ILE A1827 3.160 8.574 -45.687 1.00 0.00 C ATOM 0 H ILE A1827 0.224 8.502 -44.353 1.00 0.00 H new ATOM 0 HA ILE A1827 0.068 11.153 -45.694 1.00 0.00 H new ATOM 0 HB ILE A1827 0.967 8.587 -46.903 1.00 0.00 H new ATOM 0 HG12 ILE A1827 3.160 10.266 -47.018 1.00 0.00 H new ATOM 0 HG13 ILE A1827 2.531 10.615 -45.420 1.00 0.00 H new ATOM 0 HG21 ILE A1827 1.698 10.162 -48.747 1.00 0.00 H new ATOM 0 HG22 ILE A1827 -0.057 10.247 -48.463 1.00 0.00 H new ATOM 0 HG23 ILE A1827 1.011 11.520 -47.823 1.00 0.00 H new ATOM 0 HD11 ILE A1827 4.171 8.773 -45.333 1.00 0.00 H new ATOM 0 HD12 ILE A1827 2.556 8.190 -44.865 1.00 0.00 H new ATOM 0 HD13 ILE A1827 3.195 7.835 -46.488 1.00 0.00 H new ATOM 899 N ALA A1828 -2.405 10.475 -45.876 1.00 0.00 N ATOM 900 CA ALA A1828 -3.816 10.155 -46.125 1.00 0.00 C ATOM 901 C ALA A1828 -4.136 9.951 -47.623 1.00 0.00 C ATOM 902 O ALA A1828 -3.573 10.627 -48.493 1.00 0.00 O ATOM 903 CB ALA A1828 -4.678 11.256 -45.505 1.00 0.00 C ATOM 0 H ALA A1828 -2.261 11.400 -45.470 1.00 0.00 H new ATOM 0 HA ALA A1828 -4.042 9.197 -45.656 1.00 0.00 H new ATOM 0 HB1 ALA A1828 -5.731 11.036 -45.680 1.00 0.00 H new ATOM 0 HB2 ALA A1828 -4.491 11.304 -44.432 1.00 0.00 H new ATOM 0 HB3 ALA A1828 -4.427 12.214 -45.960 1.00 0.00 H new ATOM 909 N LYS A1829 -5.068 9.037 -47.932 1.00 0.00 N ATOM 910 CA LYS A1829 -5.514 8.733 -49.306 1.00 0.00 C ATOM 911 C LYS A1829 -6.189 9.948 -49.998 1.00 0.00 C ATOM 912 O LYS A1829 -6.847 10.742 -49.312 1.00 0.00 O ATOM 913 CB LYS A1829 -6.483 7.538 -49.282 1.00 0.00 C ATOM 914 CG LYS A1829 -5.782 6.207 -48.964 1.00 0.00 C ATOM 915 CD LYS A1829 -6.810 5.130 -48.600 1.00 0.00 C ATOM 916 CE LYS A1829 -6.123 3.831 -48.164 1.00 0.00 C ATOM 917 NZ LYS A1829 -6.869 3.185 -47.055 1.00 0.00 N ATOM 0 H LYS A1829 -5.543 8.477 -47.224 1.00 0.00 H new ATOM 0 HA LYS A1829 -4.627 8.486 -49.889 1.00 0.00 H new ATOM 0 HB2 LYS A1829 -7.259 7.721 -48.539 1.00 0.00 H new ATOM 0 HB3 LYS A1829 -6.980 7.460 -50.249 1.00 0.00 H new ATOM 0 HG2 LYS A1829 -5.197 5.883 -49.825 1.00 0.00 H new ATOM 0 HG3 LYS A1829 -5.084 6.345 -48.138 1.00 0.00 H new ATOM 0 HD2 LYS A1829 -7.451 5.493 -47.796 1.00 0.00 H new ATOM 0 HD3 LYS A1829 -7.454 4.934 -49.457 1.00 0.00 H new ATOM 0 HE2 LYS A1829 -6.057 3.147 -49.011 1.00 0.00 H new ATOM 0 HE3 LYS A1829 -5.102 4.043 -47.846 1.00 0.00 H new ATOM 0 HZ1 LYS A1829 -6.435 2.266 -46.833 1.00 0.00 H new ATOM 0 HZ2 LYS A1829 -6.837 3.795 -46.213 1.00 0.00 H new ATOM 0 HZ3 LYS A1829 -7.859 3.040 -47.340 1.00 0.00 H new ATOM 931 N PRO A1830 -6.094 10.073 -51.341 1.00 0.00 N ATOM 932 CA PRO A1830 -5.260 9.280 -52.249 1.00 0.00 C ATOM 933 C PRO A1830 -3.762 9.604 -52.071 1.00 0.00 C ATOM 934 O PRO A1830 -3.361 10.773 -52.104 1.00 0.00 O ATOM 935 CB PRO A1830 -5.754 9.638 -53.658 1.00 0.00 C ATOM 936 CG PRO A1830 -6.262 11.069 -53.511 1.00 0.00 C ATOM 937 CD PRO A1830 -6.817 11.096 -52.089 1.00 0.00 C ATOM 0 HA PRO A1830 -5.347 8.212 -52.050 1.00 0.00 H new ATOM 0 HB2 PRO A1830 -4.951 9.572 -54.393 1.00 0.00 H new ATOM 0 HB3 PRO A1830 -6.545 8.964 -53.988 1.00 0.00 H new ATOM 0 HG2 PRO A1830 -5.461 11.797 -53.645 1.00 0.00 H new ATOM 0 HG3 PRO A1830 -7.031 11.301 -54.248 1.00 0.00 H new ATOM 0 HD2 PRO A1830 -6.677 12.078 -51.637 1.00 0.00 H new ATOM 0 HD3 PRO A1830 -7.888 10.893 -52.087 1.00 0.00 H new ATOM 945 N ASN A1831 -2.939 8.566 -51.868 1.00 0.00 N ATOM 946 CA ASN A1831 -1.502 8.671 -51.564 1.00 0.00 C ATOM 947 C ASN A1831 -0.582 7.961 -52.575 1.00 0.00 C ATOM 948 O ASN A1831 0.637 8.080 -52.462 1.00 0.00 O ATOM 949 CB ASN A1831 -1.233 8.206 -50.121 1.00 0.00 C ATOM 950 CG ASN A1831 -1.640 6.767 -49.836 1.00 0.00 C ATOM 951 OD1 ASN A1831 -1.738 5.923 -50.715 1.00 0.00 O ATOM 952 ND2 ASN A1831 -1.881 6.434 -48.591 1.00 0.00 N ATOM 0 H ASN A1831 -3.263 7.600 -51.912 1.00 0.00 H new ATOM 0 HA ASN A1831 -1.244 9.726 -51.658 1.00 0.00 H new ATOM 0 HB2 ASN A1831 -0.170 8.319 -49.909 1.00 0.00 H new ATOM 0 HB3 ASN A1831 -1.767 8.864 -49.435 1.00 0.00 H new ATOM 0 HD21 ASN A1831 -2.148 5.477 -48.362 1.00 0.00 H new ATOM 0 HD22 ASN A1831 -1.801 7.132 -47.852 1.00 0.00 H new ATOM 959 N GLN A1832 -1.114 7.282 -53.594 1.00 0.00 N ATOM 960 CA GLN A1832 -0.303 6.652 -54.644 1.00 0.00 C ATOM 961 C GLN A1832 0.649 7.650 -55.337 1.00 0.00 C ATOM 962 O GLN A1832 1.817 7.332 -55.540 1.00 0.00 O ATOM 963 CB GLN A1832 -1.187 5.881 -55.652 1.00 0.00 C ATOM 964 CG GLN A1832 -2.368 6.659 -56.274 1.00 0.00 C ATOM 965 CD GLN A1832 -3.676 6.495 -55.487 1.00 0.00 C ATOM 966 OE1 GLN A1832 -3.829 6.969 -54.370 1.00 0.00 O ATOM 967 NE2 GLN A1832 -4.663 5.820 -56.033 1.00 0.00 N ATOM 0 H GLN A1832 -2.118 7.152 -53.716 1.00 0.00 H new ATOM 0 HA GLN A1832 0.340 5.920 -54.155 1.00 0.00 H new ATOM 0 HB2 GLN A1832 -0.550 5.525 -56.461 1.00 0.00 H new ATOM 0 HB3 GLN A1832 -1.586 5.000 -55.150 1.00 0.00 H new ATOM 0 HG2 GLN A1832 -2.112 7.717 -56.325 1.00 0.00 H new ATOM 0 HG3 GLN A1832 -2.521 6.318 -57.298 1.00 0.00 H new ATOM 0 HE21 GLN A1832 -4.552 5.418 -56.964 1.00 0.00 H new ATOM 0 HE22 GLN A1832 -5.540 5.698 -55.526 1.00 0.00 H new ATOM 976 N ILE A1833 0.191 8.877 -55.620 1.00 0.00 N ATOM 977 CA ILE A1833 1.019 9.954 -56.197 1.00 0.00 C ATOM 978 C ILE A1833 2.066 10.443 -55.183 1.00 0.00 C ATOM 979 O ILE A1833 3.231 10.627 -55.526 1.00 0.00 O ATOM 980 CB ILE A1833 0.133 11.123 -56.695 1.00 0.00 C ATOM 981 CG1 ILE A1833 -1.008 10.679 -57.637 1.00 0.00 C ATOM 982 CG2 ILE A1833 0.987 12.212 -57.364 1.00 0.00 C ATOM 983 CD1 ILE A1833 -0.567 9.883 -58.873 1.00 0.00 C ATOM 0 H ILE A1833 -0.776 9.157 -55.454 1.00 0.00 H new ATOM 0 HA ILE A1833 1.552 9.549 -57.057 1.00 0.00 H new ATOM 0 HB ILE A1833 -0.345 11.533 -55.805 1.00 0.00 H new ATOM 0 HG12 ILE A1833 -1.712 10.073 -57.067 1.00 0.00 H new ATOM 0 HG13 ILE A1833 -1.548 11.566 -57.970 1.00 0.00 H new ATOM 0 HG21 ILE A1833 0.342 13.022 -57.705 1.00 0.00 H new ATOM 0 HG22 ILE A1833 1.709 12.601 -56.646 1.00 0.00 H new ATOM 0 HG23 ILE A1833 1.517 11.787 -58.216 1.00 0.00 H new ATOM 0 HD11 ILE A1833 -1.442 9.620 -59.467 1.00 0.00 H new ATOM 0 HD12 ILE A1833 0.111 10.490 -59.474 1.00 0.00 H new ATOM 0 HD13 ILE A1833 -0.056 8.973 -58.557 1.00 0.00 H new ATOM 995 N SER A1834 1.672 10.609 -53.919 1.00 0.00 N ATOM 996 CA SER A1834 2.548 10.983 -52.797 1.00 0.00 C ATOM 997 C SER A1834 3.709 9.994 -52.606 1.00 0.00 C ATOM 998 O SER A1834 4.853 10.407 -52.416 1.00 0.00 O ATOM 999 CB SER A1834 1.724 11.095 -51.505 1.00 0.00 C ATOM 1000 OG SER A1834 0.644 11.993 -51.698 1.00 0.00 O ATOM 0 H SER A1834 0.701 10.483 -53.634 1.00 0.00 H new ATOM 0 HA SER A1834 2.989 11.951 -53.035 1.00 0.00 H new ATOM 0 HB2 SER A1834 1.346 10.114 -51.218 1.00 0.00 H new ATOM 0 HB3 SER A1834 2.357 11.444 -50.689 1.00 0.00 H new ATOM 0 HG SER A1834 0.122 12.059 -50.871 1.00 0.00 H new ATOM 1006 N LEU A1835 3.425 8.693 -52.693 1.00 0.00 N ATOM 1007 CA LEU A1835 4.393 7.597 -52.604 1.00 0.00 C ATOM 1008 C LEU A1835 5.280 7.476 -53.858 1.00 0.00 C ATOM 1009 O LEU A1835 6.480 7.233 -53.733 1.00 0.00 O ATOM 1010 CB LEU A1835 3.628 6.287 -52.341 1.00 0.00 C ATOM 1011 CG LEU A1835 2.904 6.247 -50.981 1.00 0.00 C ATOM 1012 CD1 LEU A1835 1.924 5.078 -50.940 1.00 0.00 C ATOM 1013 CD2 LEU A1835 3.879 6.093 -49.809 1.00 0.00 C ATOM 0 H LEU A1835 2.471 8.359 -52.834 1.00 0.00 H new ATOM 0 HA LEU A1835 5.074 7.809 -51.780 1.00 0.00 H new ATOM 0 HB2 LEU A1835 2.896 6.140 -53.135 1.00 0.00 H new ATOM 0 HB3 LEU A1835 4.328 5.453 -52.393 1.00 0.00 H new ATOM 0 HG LEU A1835 2.380 7.197 -50.879 1.00 0.00 H new ATOM 0 HD11 LEU A1835 1.419 5.060 -49.974 1.00 0.00 H new ATOM 0 HD12 LEU A1835 1.186 5.194 -51.734 1.00 0.00 H new ATOM 0 HD13 LEU A1835 2.466 4.143 -51.083 1.00 0.00 H new ATOM 0 HD21 LEU A1835 3.322 6.070 -48.873 1.00 0.00 H new ATOM 0 HD22 LEU A1835 4.439 5.164 -49.921 1.00 0.00 H new ATOM 0 HD23 LEU A1835 4.571 6.935 -49.798 1.00 0.00 H new ATOM 1025 N ILE A1836 4.745 7.714 -55.065 1.00 0.00 N ATOM 1026 CA ILE A1836 5.519 7.818 -56.322 1.00 0.00 C ATOM 1027 C ILE A1836 6.554 8.959 -56.268 1.00 0.00 C ATOM 1028 O ILE A1836 7.647 8.823 -56.821 1.00 0.00 O ATOM 1029 CB ILE A1836 4.551 7.935 -57.531 1.00 0.00 C ATOM 1030 CG1 ILE A1836 3.937 6.547 -57.823 1.00 0.00 C ATOM 1031 CG2 ILE A1836 5.229 8.474 -58.807 1.00 0.00 C ATOM 1032 CD1 ILE A1836 2.690 6.590 -58.721 1.00 0.00 C ATOM 0 H ILE A1836 3.743 7.843 -55.203 1.00 0.00 H new ATOM 0 HA ILE A1836 6.101 6.905 -56.452 1.00 0.00 H new ATOM 0 HB ILE A1836 3.781 8.656 -57.256 1.00 0.00 H new ATOM 0 HG12 ILE A1836 4.692 5.920 -58.297 1.00 0.00 H new ATOM 0 HG13 ILE A1836 3.675 6.071 -56.878 1.00 0.00 H new ATOM 0 HG21 ILE A1836 4.496 8.530 -59.612 1.00 0.00 H new ATOM 0 HG22 ILE A1836 5.632 9.468 -58.613 1.00 0.00 H new ATOM 0 HG23 ILE A1836 6.038 7.805 -59.099 1.00 0.00 H new ATOM 0 HD11 ILE A1836 2.320 5.577 -58.878 1.00 0.00 H new ATOM 0 HD12 ILE A1836 1.916 7.189 -58.241 1.00 0.00 H new ATOM 0 HD13 ILE A1836 2.949 7.035 -59.682 1.00 0.00 H new ATOM 1044 N ASN A1837 6.245 10.061 -55.571 1.00 0.00 N ATOM 1045 CA ASN A1837 7.161 11.184 -55.343 1.00 0.00 C ATOM 1046 C ASN A1837 8.271 10.905 -54.303 1.00 0.00 C ATOM 1047 O ASN A1837 9.221 11.688 -54.214 1.00 0.00 O ATOM 1048 CB ASN A1837 6.339 12.439 -54.980 1.00 0.00 C ATOM 1049 CG ASN A1837 5.822 13.153 -56.217 1.00 0.00 C ATOM 1050 OD1 ASN A1837 6.446 14.070 -56.735 1.00 0.00 O ATOM 1051 ND2 ASN A1837 4.681 12.764 -56.742 1.00 0.00 N ATOM 0 H ASN A1837 5.330 10.198 -55.141 1.00 0.00 H new ATOM 0 HA ASN A1837 7.704 11.348 -56.274 1.00 0.00 H new ATOM 0 HB2 ASN A1837 5.498 12.152 -54.348 1.00 0.00 H new ATOM 0 HB3 ASN A1837 6.957 13.122 -54.398 1.00 0.00 H new ATOM 0 HD21 ASN A1837 4.320 13.226 -57.577 1.00 0.00 H new ATOM 0 HD22 ASN A1837 4.157 12.000 -56.315 1.00 0.00 H new ATOM 1058 N MET A1838 8.203 9.806 -53.539 1.00 0.00 N ATOM 1059 CA MET A1838 9.287 9.333 -52.659 1.00 0.00 C ATOM 1060 C MET A1838 10.358 8.538 -53.434 1.00 0.00 C ATOM 1061 O MET A1838 10.244 8.310 -54.641 1.00 0.00 O ATOM 1062 CB MET A1838 8.720 8.478 -51.509 1.00 0.00 C ATOM 1063 CG MET A1838 7.690 9.218 -50.651 1.00 0.00 C ATOM 1064 SD MET A1838 7.115 8.253 -49.224 1.00 0.00 S ATOM 1065 CE MET A1838 5.825 9.372 -48.613 1.00 0.00 C ATOM 0 H MET A1838 7.378 9.207 -53.513 1.00 0.00 H new ATOM 0 HA MET A1838 9.770 10.217 -52.242 1.00 0.00 H new ATOM 0 HB2 MET A1838 8.259 7.582 -51.925 1.00 0.00 H new ATOM 0 HB3 MET A1838 9.541 8.147 -50.873 1.00 0.00 H new ATOM 0 HG2 MET A1838 8.127 10.152 -50.297 1.00 0.00 H new ATOM 0 HG3 MET A1838 6.833 9.482 -51.271 1.00 0.00 H new ATOM 0 HE1 MET A1838 5.555 9.094 -47.594 1.00 0.00 H new ATOM 0 HE2 MET A1838 6.197 10.396 -48.624 1.00 0.00 H new ATOM 0 HE3 MET A1838 4.946 9.299 -49.254 1.00 0.00 H new ATOM 1075 N ASP A1839 11.398 8.081 -52.730 1.00 0.00 N ATOM 1076 CA ASP A1839 12.526 7.288 -53.252 1.00 0.00 C ATOM 1077 C ASP A1839 12.567 5.850 -52.667 1.00 0.00 C ATOM 1078 O ASP A1839 13.631 5.245 -52.512 1.00 0.00 O ATOM 1079 CB ASP A1839 13.826 8.078 -53.027 1.00 0.00 C ATOM 1080 CG ASP A1839 15.033 7.524 -53.816 1.00 0.00 C ATOM 1081 OD1 ASP A1839 14.892 7.237 -55.034 1.00 0.00 O ATOM 1082 OD2 ASP A1839 16.146 7.417 -53.244 1.00 0.00 O ATOM 0 H ASP A1839 11.485 8.261 -51.730 1.00 0.00 H new ATOM 0 HA ASP A1839 12.396 7.135 -54.323 1.00 0.00 H new ATOM 0 HB2 ASP A1839 13.663 9.117 -53.312 1.00 0.00 H new ATOM 0 HB3 ASP A1839 14.065 8.073 -51.963 1.00 0.00 H new ATOM 1087 N LEU A1840 11.398 5.316 -52.284 1.00 0.00 N ATOM 1088 CA LEU A1840 11.204 4.009 -51.629 1.00 0.00 C ATOM 1089 C LEU A1840 11.873 2.852 -52.412 1.00 0.00 C ATOM 1090 O LEU A1840 11.498 2.607 -53.567 1.00 0.00 O ATOM 1091 CB LEU A1840 9.696 3.746 -51.454 1.00 0.00 C ATOM 1092 CG LEU A1840 8.975 4.690 -50.471 1.00 0.00 C ATOM 1093 CD1 LEU A1840 7.470 4.423 -50.504 1.00 0.00 C ATOM 1094 CD2 LEU A1840 9.463 4.519 -49.034 1.00 0.00 C ATOM 0 H LEU A1840 10.516 5.807 -52.429 1.00 0.00 H new ATOM 0 HA LEU A1840 11.689 4.046 -50.653 1.00 0.00 H new ATOM 0 HB2 LEU A1840 9.214 3.825 -52.428 1.00 0.00 H new ATOM 0 HB3 LEU A1840 9.560 2.720 -51.113 1.00 0.00 H new ATOM 0 HG LEU A1840 9.198 5.708 -50.790 1.00 0.00 H new ATOM 0 HD11 LEU A1840 6.966 5.093 -49.807 1.00 0.00 H new ATOM 0 HD12 LEU A1840 7.092 4.596 -51.512 1.00 0.00 H new ATOM 0 HD13 LEU A1840 7.277 3.389 -50.217 1.00 0.00 H new ATOM 0 HD21 LEU A1840 8.924 5.207 -48.382 1.00 0.00 H new ATOM 0 HD22 LEU A1840 9.284 3.494 -48.708 1.00 0.00 H new ATOM 0 HD23 LEU A1840 10.530 4.734 -48.984 1.00 0.00 H new ATOM 1106 N PRO A1841 12.859 2.136 -51.834 1.00 0.00 N ATOM 1107 CA PRO A1841 13.623 1.091 -52.518 1.00 0.00 C ATOM 1108 C PRO A1841 12.813 -0.203 -52.698 1.00 0.00 C ATOM 1109 O PRO A1841 12.579 -0.943 -51.740 1.00 0.00 O ATOM 1110 CB PRO A1841 14.878 0.880 -51.664 1.00 0.00 C ATOM 1111 CG PRO A1841 14.405 1.223 -50.255 1.00 0.00 C ATOM 1112 CD PRO A1841 13.378 2.329 -50.488 1.00 0.00 C ATOM 0 HA PRO A1841 13.881 1.389 -53.534 1.00 0.00 H new ATOM 0 HB2 PRO A1841 15.240 -0.146 -51.728 1.00 0.00 H new ATOM 0 HB3 PRO A1841 15.695 1.527 -51.983 1.00 0.00 H new ATOM 0 HG2 PRO A1841 13.961 0.360 -49.759 1.00 0.00 H new ATOM 0 HG3 PRO A1841 15.228 1.564 -49.626 1.00 0.00 H new ATOM 0 HD2 PRO A1841 12.576 2.275 -49.752 1.00 0.00 H new ATOM 0 HD3 PRO A1841 13.837 3.312 -50.387 1.00 0.00 H new ATOM 1120 N MET A1842 12.396 -0.497 -53.935 1.00 0.00 N ATOM 1121 CA MET A1842 11.828 -1.798 -54.316 1.00 0.00 C ATOM 1122 C MET A1842 12.934 -2.869 -54.379 1.00 0.00 C ATOM 1123 O MET A1842 13.630 -3.004 -55.389 1.00 0.00 O ATOM 1124 CB MET A1842 11.037 -1.676 -55.630 1.00 0.00 C ATOM 1125 CG MET A1842 9.740 -0.887 -55.418 1.00 0.00 C ATOM 1126 SD MET A1842 8.729 -0.698 -56.907 1.00 0.00 S ATOM 1127 CE MET A1842 7.296 0.139 -56.185 1.00 0.00 C ATOM 0 H MET A1842 12.443 0.167 -54.708 1.00 0.00 H new ATOM 0 HA MET A1842 11.120 -2.121 -53.553 1.00 0.00 H new ATOM 0 HB2 MET A1842 11.650 -1.180 -56.383 1.00 0.00 H new ATOM 0 HB3 MET A1842 10.804 -2.670 -56.012 1.00 0.00 H new ATOM 0 HG2 MET A1842 9.147 -1.386 -54.651 1.00 0.00 H new ATOM 0 HG3 MET A1842 9.989 0.102 -55.035 1.00 0.00 H new ATOM 0 HE1 MET A1842 6.446 -0.544 -56.168 1.00 0.00 H new ATOM 0 HE2 MET A1842 7.531 0.451 -55.168 1.00 0.00 H new ATOM 0 HE3 MET A1842 7.046 1.014 -56.784 1.00 0.00 H new ATOM 1137 N VAL A1843 13.154 -3.585 -53.274 1.00 0.00 N ATOM 1138 CA VAL A1843 14.372 -4.387 -53.002 1.00 0.00 C ATOM 1139 C VAL A1843 14.585 -5.586 -53.943 1.00 0.00 C ATOM 1140 O VAL A1843 15.730 -5.912 -54.276 1.00 0.00 O ATOM 1141 CB VAL A1843 14.441 -4.850 -51.525 1.00 0.00 C ATOM 1142 CG1 VAL A1843 14.365 -3.658 -50.570 1.00 0.00 C ATOM 1143 CG2 VAL A1843 13.366 -5.868 -51.117 1.00 0.00 C ATOM 0 H VAL A1843 12.475 -3.631 -52.514 1.00 0.00 H new ATOM 0 HA VAL A1843 15.191 -3.697 -53.205 1.00 0.00 H new ATOM 0 HB VAL A1843 15.404 -5.354 -51.448 1.00 0.00 H new ATOM 0 HG11 VAL A1843 14.416 -4.013 -49.541 1.00 0.00 H new ATOM 0 HG12 VAL A1843 15.199 -2.984 -50.763 1.00 0.00 H new ATOM 0 HG13 VAL A1843 13.426 -3.127 -50.725 1.00 0.00 H new ATOM 0 HG21 VAL A1843 13.495 -6.132 -50.067 1.00 0.00 H new ATOM 0 HG22 VAL A1843 12.378 -5.432 -51.263 1.00 0.00 H new ATOM 0 HG23 VAL A1843 13.461 -6.764 -51.731 1.00 0.00 H new ATOM 1153 N SER A1844 13.494 -6.216 -54.399 1.00 0.00 N ATOM 1154 CA SER A1844 13.500 -7.434 -55.237 1.00 0.00 C ATOM 1155 C SER A1844 12.472 -7.405 -56.380 1.00 0.00 C ATOM 1156 O SER A1844 12.329 -8.387 -57.111 1.00 0.00 O ATOM 1157 CB SER A1844 13.267 -8.682 -54.365 1.00 0.00 C ATOM 1158 OG SER A1844 14.285 -8.825 -53.387 1.00 0.00 O ATOM 0 H SER A1844 12.551 -5.886 -54.191 1.00 0.00 H new ATOM 0 HA SER A1844 14.485 -7.473 -55.703 1.00 0.00 H new ATOM 0 HB2 SER A1844 12.296 -8.610 -53.875 1.00 0.00 H new ATOM 0 HB3 SER A1844 13.239 -9.570 -54.997 1.00 0.00 H new ATOM 0 HG SER A1844 14.110 -9.624 -52.847 1.00 0.00 H new ATOM 1164 N GLY A1845 11.737 -6.297 -56.541 1.00 0.00 N ATOM 1165 CA GLY A1845 10.698 -6.111 -57.564 1.00 0.00 C ATOM 1166 C GLY A1845 9.601 -5.148 -57.106 1.00 0.00 C ATOM 1167 O GLY A1845 9.381 -4.111 -57.735 1.00 0.00 O ATOM 0 H GLY A1845 11.852 -5.478 -55.944 1.00 0.00 H new ATOM 0 HA2 GLY A1845 11.154 -5.731 -58.478 1.00 0.00 H new ATOM 0 HA3 GLY A1845 10.253 -7.076 -57.807 1.00 0.00 H new ATOM 1171 N ASP A1846 8.921 -5.484 -56.007 1.00 0.00 N ATOM 1172 CA ASP A1846 7.795 -4.718 -55.437 1.00 0.00 C ATOM 1173 C ASP A1846 7.678 -4.787 -53.892 1.00 0.00 C ATOM 1174 O ASP A1846 6.653 -4.383 -53.339 1.00 0.00 O ATOM 1175 CB ASP A1846 6.482 -5.137 -56.133 1.00 0.00 C ATOM 1176 CG ASP A1846 5.910 -6.481 -55.652 1.00 0.00 C ATOM 1177 OD1 ASP A1846 6.692 -7.379 -55.264 1.00 0.00 O ATOM 1178 OD2 ASP A1846 4.668 -6.650 -55.664 1.00 0.00 O ATOM 0 H ASP A1846 9.141 -6.322 -55.468 1.00 0.00 H new ATOM 0 HA ASP A1846 8.000 -3.667 -55.638 1.00 0.00 H new ATOM 0 HB2 ASP A1846 5.735 -4.359 -55.972 1.00 0.00 H new ATOM 0 HB3 ASP A1846 6.656 -5.194 -57.207 1.00 0.00 H new ATOM 1183 N ARG A1847 8.705 -5.277 -53.179 1.00 0.00 N ATOM 1184 CA ARG A1847 8.799 -5.215 -51.703 1.00 0.00 C ATOM 1185 C ARG A1847 9.715 -4.081 -51.230 1.00 0.00 C ATOM 1186 O ARG A1847 10.656 -3.724 -51.932 1.00 0.00 O ATOM 1187 CB ARG A1847 9.324 -6.545 -51.123 1.00 0.00 C ATOM 1188 CG ARG A1847 8.338 -7.723 -51.192 1.00 0.00 C ATOM 1189 CD ARG A1847 8.439 -8.560 -52.477 1.00 0.00 C ATOM 1190 NE ARG A1847 7.599 -9.772 -52.355 1.00 0.00 N ATOM 1191 CZ ARG A1847 6.295 -9.840 -52.568 1.00 0.00 C ATOM 1192 NH1 ARG A1847 5.646 -8.962 -53.265 1.00 0.00 N ATOM 1193 NH2 ARG A1847 5.572 -10.788 -52.051 1.00 0.00 N ATOM 0 H ARG A1847 9.507 -5.734 -53.613 1.00 0.00 H new ATOM 0 HA ARG A1847 7.788 -5.026 -51.342 1.00 0.00 H new ATOM 0 HB2 ARG A1847 10.234 -6.822 -51.656 1.00 0.00 H new ATOM 0 HB3 ARG A1847 9.601 -6.384 -50.081 1.00 0.00 H new ATOM 0 HG2 ARG A1847 8.508 -8.374 -50.334 1.00 0.00 H new ATOM 0 HG3 ARG A1847 7.323 -7.337 -51.103 1.00 0.00 H new ATOM 0 HD2 ARG A1847 8.116 -7.968 -53.333 1.00 0.00 H new ATOM 0 HD3 ARG A1847 9.476 -8.842 -52.657 1.00 0.00 H new ATOM 0 HE ARG A1847 8.069 -10.635 -52.081 1.00 0.00 H new ATOM 0 HH11 ARG A1847 6.141 -8.172 -53.679 1.00 0.00 H new ATOM 0 HH12 ARG A1847 4.640 -9.060 -53.400 1.00 0.00 H new ATOM 0 HH21 ARG A1847 6.008 -11.501 -51.466 1.00 0.00 H new ATOM 0 HH22 ARG A1847 4.568 -10.819 -52.230 1.00 0.00 H new ATOM 1207 N ILE A1848 9.456 -3.540 -50.037 1.00 0.00 N ATOM 1208 CA ILE A1848 10.105 -2.329 -49.497 1.00 0.00 C ATOM 1209 C ILE A1848 10.413 -2.514 -47.996 1.00 0.00 C ATOM 1210 O ILE A1848 9.571 -3.004 -47.240 1.00 0.00 O ATOM 1211 CB ILE A1848 9.228 -1.075 -49.741 1.00 0.00 C ATOM 1212 CG1 ILE A1848 8.701 -0.934 -51.191 1.00 0.00 C ATOM 1213 CG2 ILE A1848 10.035 0.197 -49.426 1.00 0.00 C ATOM 1214 CD1 ILE A1848 7.366 -1.650 -51.449 1.00 0.00 C ATOM 0 H ILE A1848 8.770 -3.939 -49.397 1.00 0.00 H new ATOM 0 HA ILE A1848 11.048 -2.176 -50.022 1.00 0.00 H new ATOM 0 HB ILE A1848 8.368 -1.199 -49.083 1.00 0.00 H new ATOM 0 HG12 ILE A1848 8.583 0.125 -51.421 1.00 0.00 H new ATOM 0 HG13 ILE A1848 9.450 -1.328 -51.878 1.00 0.00 H new ATOM 0 HG21 ILE A1848 9.413 1.075 -49.600 1.00 0.00 H new ATOM 0 HG22 ILE A1848 10.352 0.178 -48.383 1.00 0.00 H new ATOM 0 HG23 ILE A1848 10.912 0.241 -50.072 1.00 0.00 H new ATOM 0 HD11 ILE A1848 7.068 -1.502 -52.487 1.00 0.00 H new ATOM 0 HD12 ILE A1848 7.481 -2.716 -51.253 1.00 0.00 H new ATOM 0 HD13 ILE A1848 6.600 -1.241 -50.790 1.00 0.00 H new ATOM 1226 N HIS A1849 11.632 -2.161 -47.585 1.00 0.00 N ATOM 1227 CA HIS A1849 12.203 -2.358 -46.241 1.00 0.00 C ATOM 1228 C HIS A1849 11.715 -1.322 -45.208 1.00 0.00 C ATOM 1229 O HIS A1849 11.634 -0.126 -45.501 1.00 0.00 O ATOM 1230 CB HIS A1849 13.729 -2.284 -46.397 1.00 0.00 C ATOM 1231 CG HIS A1849 14.503 -2.458 -45.115 1.00 0.00 C ATOM 1232 ND1 HIS A1849 15.427 -1.566 -44.624 1.00 0.00 N ATOM 1233 CD2 HIS A1849 14.457 -3.527 -44.259 1.00 0.00 C ATOM 1234 CE1 HIS A1849 15.940 -2.086 -43.498 1.00 0.00 C ATOM 1235 NE2 HIS A1849 15.376 -3.277 -43.230 1.00 0.00 N ATOM 0 H HIS A1849 12.290 -1.702 -48.215 1.00 0.00 H new ATOM 0 HA HIS A1849 11.876 -3.322 -45.852 1.00 0.00 H new ATOM 0 HB2 HIS A1849 14.046 -3.051 -47.104 1.00 0.00 H new ATOM 0 HB3 HIS A1849 13.989 -1.320 -46.835 1.00 0.00 H new ATOM 0 HD1 HIS A1849 15.678 -0.669 -45.041 1.00 0.00 H new ATOM 0 HD2 HIS A1849 13.829 -4.400 -44.358 1.00 0.00 H new ATOM 0 HE1 HIS A1849 16.699 -1.614 -42.892 1.00 0.00 H new ATOM 1243 N CYS A1850 11.443 -1.756 -43.971 1.00 0.00 N ATOM 1244 CA CYS A1850 10.848 -0.957 -42.890 1.00 0.00 C ATOM 1245 C CYS A1850 11.584 0.362 -42.582 1.00 0.00 C ATOM 1246 O CYS A1850 10.953 1.416 -42.488 1.00 0.00 O ATOM 1247 CB CYS A1850 10.688 -1.834 -41.636 1.00 0.00 C ATOM 1248 SG CYS A1850 12.286 -2.312 -40.914 1.00 0.00 S ATOM 0 H CYS A1850 11.640 -2.714 -43.683 1.00 0.00 H new ATOM 0 HA CYS A1850 9.869 -0.632 -43.242 1.00 0.00 H new ATOM 0 HB2 CYS A1850 10.103 -1.294 -40.891 1.00 0.00 H new ATOM 0 HB3 CYS A1850 10.126 -2.732 -41.893 1.00 0.00 H new ATOM 0 HG CYS A1850 12.105 -3.274 -40.059 1.00 0.00 H new ATOM 1254 N MET A1851 12.918 0.322 -42.445 1.00 0.00 N ATOM 1255 CA MET A1851 13.717 1.495 -42.077 1.00 0.00 C ATOM 1256 C MET A1851 13.740 2.558 -43.186 1.00 0.00 C ATOM 1257 O MET A1851 13.685 3.753 -42.901 1.00 0.00 O ATOM 1258 CB MET A1851 15.146 1.056 -41.707 1.00 0.00 C ATOM 1259 CG MET A1851 15.997 2.214 -41.170 1.00 0.00 C ATOM 1260 SD MET A1851 15.366 3.003 -39.656 1.00 0.00 S ATOM 1261 CE MET A1851 15.941 4.706 -39.905 1.00 0.00 C ATOM 0 H MET A1851 13.470 -0.524 -42.586 1.00 0.00 H new ATOM 0 HA MET A1851 13.246 1.960 -41.211 1.00 0.00 H new ATOM 0 HB2 MET A1851 15.097 0.267 -40.956 1.00 0.00 H new ATOM 0 HB3 MET A1851 15.631 0.630 -42.586 1.00 0.00 H new ATOM 0 HG2 MET A1851 17.004 1.844 -40.975 1.00 0.00 H new ATOM 0 HG3 MET A1851 16.081 2.973 -41.948 1.00 0.00 H new ATOM 0 HE1 MET A1851 15.633 5.321 -39.059 1.00 0.00 H new ATOM 0 HE2 MET A1851 17.028 4.715 -39.984 1.00 0.00 H new ATOM 0 HE3 MET A1851 15.507 5.106 -40.821 1.00 0.00 H new ATOM 1271 N ASP A1852 13.784 2.148 -44.454 1.00 0.00 N ATOM 1272 CA ASP A1852 13.782 3.060 -45.599 1.00 0.00 C ATOM 1273 C ASP A1852 12.410 3.735 -45.802 1.00 0.00 C ATOM 1274 O ASP A1852 12.346 4.904 -46.197 1.00 0.00 O ATOM 1275 CB ASP A1852 14.221 2.296 -46.852 1.00 0.00 C ATOM 1276 CG ASP A1852 15.681 1.830 -46.727 1.00 0.00 C ATOM 1277 OD1 ASP A1852 15.918 0.721 -46.194 1.00 0.00 O ATOM 1278 OD2 ASP A1852 16.595 2.574 -47.153 1.00 0.00 O ATOM 0 H ASP A1852 13.822 1.164 -44.718 1.00 0.00 H new ATOM 0 HA ASP A1852 14.490 3.865 -45.402 1.00 0.00 H new ATOM 0 HB2 ASP A1852 13.572 1.434 -47.003 1.00 0.00 H new ATOM 0 HB3 ASP A1852 14.113 2.934 -47.729 1.00 0.00 H new ATOM 1283 N ILE A1853 11.318 3.040 -45.451 1.00 0.00 N ATOM 1284 CA ILE A1853 9.967 3.616 -45.352 1.00 0.00 C ATOM 1285 C ILE A1853 9.912 4.648 -44.218 1.00 0.00 C ATOM 1286 O ILE A1853 9.501 5.784 -44.454 1.00 0.00 O ATOM 1287 CB ILE A1853 8.896 2.510 -45.171 1.00 0.00 C ATOM 1288 CG1 ILE A1853 8.891 1.541 -46.375 1.00 0.00 C ATOM 1289 CG2 ILE A1853 7.503 3.139 -45.030 1.00 0.00 C ATOM 1290 CD1 ILE A1853 8.184 0.215 -46.088 1.00 0.00 C ATOM 0 H ILE A1853 11.348 2.046 -45.224 1.00 0.00 H new ATOM 0 HA ILE A1853 9.740 4.128 -46.287 1.00 0.00 H new ATOM 0 HB ILE A1853 9.143 1.952 -44.268 1.00 0.00 H new ATOM 0 HG12 ILE A1853 8.405 2.027 -47.221 1.00 0.00 H new ATOM 0 HG13 ILE A1853 9.920 1.338 -46.672 1.00 0.00 H new ATOM 0 HG21 ILE A1853 6.760 2.352 -44.904 1.00 0.00 H new ATOM 0 HG22 ILE A1853 7.487 3.796 -44.161 1.00 0.00 H new ATOM 0 HG23 ILE A1853 7.272 3.716 -45.926 1.00 0.00 H new ATOM 0 HD11 ILE A1853 8.219 -0.416 -46.976 1.00 0.00 H new ATOM 0 HD12 ILE A1853 8.684 -0.293 -45.263 1.00 0.00 H new ATOM 0 HD13 ILE A1853 7.145 0.407 -45.820 1.00 0.00 H new ATOM 1302 N LEU A1854 10.370 4.287 -43.012 1.00 0.00 N ATOM 1303 CA LEU A1854 10.465 5.197 -41.865 1.00 0.00 C ATOM 1304 C LEU A1854 11.288 6.456 -42.187 1.00 0.00 C ATOM 1305 O LEU A1854 10.849 7.568 -41.891 1.00 0.00 O ATOM 1306 CB LEU A1854 11.029 4.421 -40.656 1.00 0.00 C ATOM 1307 CG LEU A1854 11.163 5.250 -39.367 1.00 0.00 C ATOM 1308 CD1 LEU A1854 9.818 5.749 -38.837 1.00 0.00 C ATOM 1309 CD2 LEU A1854 11.816 4.396 -38.276 1.00 0.00 C ATOM 0 H LEU A1854 10.689 3.341 -42.804 1.00 0.00 H new ATOM 0 HA LEU A1854 9.468 5.560 -41.617 1.00 0.00 H new ATOM 0 HB2 LEU A1854 10.383 3.566 -40.457 1.00 0.00 H new ATOM 0 HB3 LEU A1854 12.009 4.025 -40.921 1.00 0.00 H new ATOM 0 HG LEU A1854 11.772 6.119 -39.616 1.00 0.00 H new ATOM 0 HD11 LEU A1854 9.977 6.327 -37.927 1.00 0.00 H new ATOM 0 HD12 LEU A1854 9.342 6.379 -39.588 1.00 0.00 H new ATOM 0 HD13 LEU A1854 9.175 4.897 -38.618 1.00 0.00 H new ATOM 0 HD21 LEU A1854 11.911 4.983 -37.363 1.00 0.00 H new ATOM 0 HD22 LEU A1854 11.198 3.520 -38.081 1.00 0.00 H new ATOM 0 HD23 LEU A1854 12.804 4.077 -38.607 1.00 0.00 H new ATOM 1321 N PHE A1855 12.449 6.301 -42.831 1.00 0.00 N ATOM 1322 CA PHE A1855 13.304 7.385 -43.328 1.00 0.00 C ATOM 1323 C PHE A1855 12.516 8.325 -44.258 1.00 0.00 C ATOM 1324 O PHE A1855 12.439 9.524 -43.996 1.00 0.00 O ATOM 1325 CB PHE A1855 14.534 6.764 -44.014 1.00 0.00 C ATOM 1326 CG PHE A1855 15.625 7.721 -44.460 1.00 0.00 C ATOM 1327 CD1 PHE A1855 15.498 8.441 -45.665 1.00 0.00 C ATOM 1328 CD2 PHE A1855 16.806 7.836 -43.702 1.00 0.00 C ATOM 1329 CE1 PHE A1855 16.549 9.266 -46.107 1.00 0.00 C ATOM 1330 CE2 PHE A1855 17.861 8.647 -44.157 1.00 0.00 C ATOM 1331 CZ PHE A1855 17.737 9.360 -45.363 1.00 0.00 C ATOM 0 H PHE A1855 12.835 5.378 -43.029 1.00 0.00 H new ATOM 0 HA PHE A1855 13.648 8.004 -42.500 1.00 0.00 H new ATOM 0 HB2 PHE A1855 14.976 6.041 -43.329 1.00 0.00 H new ATOM 0 HB3 PHE A1855 14.192 6.208 -44.887 1.00 0.00 H new ATOM 0 HD1 PHE A1855 14.594 8.360 -46.250 1.00 0.00 H new ATOM 0 HD2 PHE A1855 16.902 7.300 -42.769 1.00 0.00 H new ATOM 0 HE1 PHE A1855 16.442 9.829 -47.022 1.00 0.00 H new ATOM 0 HE2 PHE A1855 18.770 8.723 -43.578 1.00 0.00 H new ATOM 0 HZ PHE A1855 18.551 9.977 -45.715 1.00 0.00 H new ATOM 1341 N ALA A1856 11.884 7.804 -45.314 1.00 0.00 N ATOM 1342 CA ALA A1856 11.063 8.608 -46.222 1.00 0.00 C ATOM 1343 C ALA A1856 9.906 9.336 -45.504 1.00 0.00 C ATOM 1344 O ALA A1856 9.669 10.523 -45.744 1.00 0.00 O ATOM 1345 CB ALA A1856 10.549 7.703 -47.353 1.00 0.00 C ATOM 0 H ALA A1856 11.927 6.816 -45.562 1.00 0.00 H new ATOM 0 HA ALA A1856 11.685 9.401 -46.637 1.00 0.00 H new ATOM 0 HB1 ALA A1856 9.935 8.289 -48.037 1.00 0.00 H new ATOM 0 HB2 ALA A1856 11.396 7.281 -47.895 1.00 0.00 H new ATOM 0 HB3 ALA A1856 9.951 6.896 -46.930 1.00 0.00 H new ATOM 1351 N PHE A1857 9.197 8.649 -44.601 1.00 0.00 N ATOM 1352 CA PHE A1857 8.040 9.196 -43.882 1.00 0.00 C ATOM 1353 C PHE A1857 8.431 10.289 -42.868 1.00 0.00 C ATOM 1354 O PHE A1857 7.710 11.283 -42.761 1.00 0.00 O ATOM 1355 CB PHE A1857 7.240 8.060 -43.218 1.00 0.00 C ATOM 1356 CG PHE A1857 6.410 7.142 -44.124 1.00 0.00 C ATOM 1357 CD1 PHE A1857 6.592 7.078 -45.525 1.00 0.00 C ATOM 1358 CD2 PHE A1857 5.425 6.326 -43.523 1.00 0.00 C ATOM 1359 CE1 PHE A1857 5.813 6.206 -46.307 1.00 0.00 C ATOM 1360 CE2 PHE A1857 4.653 5.451 -44.307 1.00 0.00 C ATOM 1361 CZ PHE A1857 4.847 5.387 -45.695 1.00 0.00 C ATOM 0 H PHE A1857 9.413 7.685 -44.346 1.00 0.00 H new ATOM 0 HA PHE A1857 7.401 9.687 -44.616 1.00 0.00 H new ATOM 0 HB2 PHE A1857 7.942 7.437 -42.663 1.00 0.00 H new ATOM 0 HB3 PHE A1857 6.566 8.508 -42.488 1.00 0.00 H new ATOM 0 HD1 PHE A1857 7.335 7.703 -45.998 1.00 0.00 H new ATOM 0 HD2 PHE A1857 5.265 6.375 -42.456 1.00 0.00 H new ATOM 0 HE1 PHE A1857 5.957 6.165 -47.377 1.00 0.00 H new ATOM 0 HE2 PHE A1857 3.907 4.825 -43.839 1.00 0.00 H new ATOM 0 HZ PHE A1857 4.255 4.710 -46.293 1.00 0.00 H new ATOM 1371 N THR A1858 9.552 10.145 -42.153 1.00 0.00 N ATOM 1372 CA THR A1858 10.052 11.140 -41.172 1.00 0.00 C ATOM 1373 C THR A1858 10.732 12.353 -41.808 1.00 0.00 C ATOM 1374 O THR A1858 10.610 13.458 -41.278 1.00 0.00 O ATOM 1375 CB THR A1858 11.032 10.534 -40.152 1.00 0.00 C ATOM 1376 OG1 THR A1858 12.095 9.863 -40.790 1.00 0.00 O ATOM 1377 CG2 THR A1858 10.352 9.550 -39.199 1.00 0.00 C ATOM 0 H THR A1858 10.153 9.325 -42.234 1.00 0.00 H new ATOM 0 HA THR A1858 9.144 11.470 -40.667 1.00 0.00 H new ATOM 0 HB THR A1858 11.413 11.379 -39.579 1.00 0.00 H new ATOM 0 HG1 THR A1858 11.774 9.011 -41.152 1.00 0.00 H new ATOM 0 HG21 THR A1858 11.088 9.152 -38.501 1.00 0.00 H new ATOM 0 HG22 THR A1858 9.567 10.064 -38.645 1.00 0.00 H new ATOM 0 HG23 THR A1858 9.916 8.732 -39.772 1.00 0.00 H new ATOM 1385 N LYS A1859 11.406 12.200 -42.954 1.00 0.00 N ATOM 1386 CA LYS A1859 12.079 13.297 -43.685 1.00 0.00 C ATOM 1387 C LYS A1859 11.122 14.403 -44.139 1.00 0.00 C ATOM 1388 O LYS A1859 11.521 15.570 -44.168 1.00 0.00 O ATOM 1389 CB LYS A1859 12.886 12.713 -44.865 1.00 0.00 C ATOM 1390 CG LYS A1859 14.354 12.361 -44.547 1.00 0.00 C ATOM 1391 CD LYS A1859 14.664 11.864 -43.117 1.00 0.00 C ATOM 1392 CE LYS A1859 16.074 11.290 -42.961 1.00 0.00 C ATOM 1393 NZ LYS A1859 17.129 12.290 -43.252 1.00 0.00 N ATOM 0 H LYS A1859 11.505 11.295 -43.414 1.00 0.00 H new ATOM 0 HA LYS A1859 12.762 13.784 -42.990 1.00 0.00 H new ATOM 0 HB2 LYS A1859 12.382 11.814 -45.219 1.00 0.00 H new ATOM 0 HB3 LYS A1859 12.871 13.431 -45.685 1.00 0.00 H new ATOM 0 HG2 LYS A1859 14.678 11.593 -45.250 1.00 0.00 H new ATOM 0 HG3 LYS A1859 14.963 13.245 -44.738 1.00 0.00 H new ATOM 0 HD2 LYS A1859 14.538 12.691 -42.418 1.00 0.00 H new ATOM 0 HD3 LYS A1859 13.937 11.100 -42.841 1.00 0.00 H new ATOM 0 HE2 LYS A1859 16.201 10.918 -41.944 1.00 0.00 H new ATOM 0 HE3 LYS A1859 16.192 10.437 -43.630 1.00 0.00 H new ATOM 0 HZ1 LYS A1859 18.065 11.852 -43.132 1.00 0.00 H new ATOM 0 HZ2 LYS A1859 17.027 12.627 -44.230 1.00 0.00 H new ATOM 0 HZ3 LYS A1859 17.036 13.093 -42.598 1.00 0.00 H new ATOM 1407 N ARG A1860 9.847 14.070 -44.384 1.00 0.00 N ATOM 1408 CA ARG A1860 8.722 15.020 -44.520 1.00 0.00 C ATOM 1409 C ARG A1860 8.618 15.947 -43.302 1.00 0.00 C ATOM 1410 O ARG A1860 8.676 17.169 -43.427 1.00 0.00 O ATOM 1411 CB ARG A1860 7.400 14.248 -44.665 1.00 0.00 C ATOM 1412 CG ARG A1860 7.258 13.443 -45.966 1.00 0.00 C ATOM 1413 CD ARG A1860 6.194 12.336 -45.828 1.00 0.00 C ATOM 1414 NE ARG A1860 4.880 12.831 -45.370 1.00 0.00 N ATOM 1415 CZ ARG A1860 4.365 12.756 -44.150 1.00 0.00 C ATOM 1416 NH1 ARG A1860 4.995 12.257 -43.132 1.00 0.00 N ATOM 1417 NH2 ARG A1860 3.168 13.206 -43.906 1.00 0.00 N ATOM 0 H ARG A1860 9.555 13.099 -44.498 1.00 0.00 H new ATOM 0 HA ARG A1860 8.909 15.625 -45.407 1.00 0.00 H new ATOM 0 HB2 ARG A1860 7.300 13.566 -43.821 1.00 0.00 H new ATOM 0 HB3 ARG A1860 6.574 14.956 -44.602 1.00 0.00 H new ATOM 0 HG2 ARG A1860 6.985 14.112 -46.782 1.00 0.00 H new ATOM 0 HG3 ARG A1860 8.218 12.997 -46.227 1.00 0.00 H new ATOM 0 HD2 ARG A1860 6.070 11.841 -46.791 1.00 0.00 H new ATOM 0 HD3 ARG A1860 6.554 11.584 -45.126 1.00 0.00 H new ATOM 0 HE ARG A1860 4.300 13.284 -46.076 1.00 0.00 H new ATOM 0 HH11 ARG A1860 5.941 11.894 -43.246 1.00 0.00 H new ATOM 0 HH12 ARG A1860 4.544 12.228 -42.218 1.00 0.00 H new ATOM 0 HH21 ARG A1860 2.616 13.621 -44.657 1.00 0.00 H new ATOM 0 HH22 ARG A1860 2.782 13.143 -42.964 1.00 0.00 H new ATOM 1431 N VAL A1861 8.470 15.354 -42.117 1.00 0.00 N ATOM 1432 CA VAL A1861 8.268 16.013 -40.813 1.00 0.00 C ATOM 1433 C VAL A1861 9.480 16.864 -40.414 1.00 0.00 C ATOM 1434 O VAL A1861 9.334 17.984 -39.929 1.00 0.00 O ATOM 1435 CB VAL A1861 7.978 14.975 -39.706 1.00 0.00 C ATOM 1436 CG1 VAL A1861 7.343 15.659 -38.490 1.00 0.00 C ATOM 1437 CG2 VAL A1861 7.040 13.852 -40.171 1.00 0.00 C ATOM 0 H VAL A1861 8.488 14.338 -42.030 1.00 0.00 H new ATOM 0 HA VAL A1861 7.405 16.671 -40.921 1.00 0.00 H new ATOM 0 HB VAL A1861 8.939 14.531 -39.447 1.00 0.00 H new ATOM 0 HG11 VAL A1861 7.144 14.916 -37.718 1.00 0.00 H new ATOM 0 HG12 VAL A1861 8.025 16.414 -38.100 1.00 0.00 H new ATOM 0 HG13 VAL A1861 6.408 16.134 -38.787 1.00 0.00 H new ATOM 0 HG21 VAL A1861 6.874 13.154 -39.351 1.00 0.00 H new ATOM 0 HG22 VAL A1861 6.087 14.280 -40.483 1.00 0.00 H new ATOM 0 HG23 VAL A1861 7.493 13.324 -41.010 1.00 0.00 H new