USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 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 Single : A1787 SER OG : rot 180:sc=-0.00582 USER MOD Single : A1793 MET CE :methyl -120:sc= 0 (180deg=-0.13) USER MOD Single : A1795 TYR OH : rot -3:sc= 0.0677 USER MOD Single : A1800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1806 THR OG1 : rot -26:sc= 0.0823 USER MOD Single : A1807 GLN : amide:sc= 0.787 K(o=0.79,f=-0.0051) USER MOD Single : A1811 TYR OH : rot 30: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+ -172:sc= 1.24 (180deg=1.07) USER MOD Single : A1831 ASN : amide:sc= 1.88 K(o=1.9,f=-3.5!) USER MOD Single : A1832 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1834 SER OG : rot 180:sc= 0 USER MOD Single : A1837 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A1838 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1842 MET CE :methyl -123:sc= 0 (180deg=-0.0926) USER MOD Single : A1844 SER OG : rot 180:sc= 0.528 USER MOD Single : A1849 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.5!) USER MOD Single : A1850 CYS SG : rot 87:sc= 0.249 USER MOD Single : A1851 MET CE :methyl -172:sc= -0.0349 (180deg=-0.149) USER MOD Single : A1858 THR OG1 : rot -71:sc= 0.822 USER MOD Single : A1859 LYS NZ :NH3+ -113:sc= 0.0685 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 226 N LEU A1786 9.274 15.313 -33.580 1.00 0.00 N ATOM 227 CA LEU A1786 8.929 13.913 -33.295 1.00 0.00 C ATOM 228 C LEU A1786 9.414 13.478 -31.902 1.00 0.00 C ATOM 229 O LEU A1786 10.305 14.096 -31.314 1.00 0.00 O ATOM 230 CB LEU A1786 9.540 13.014 -34.388 1.00 0.00 C ATOM 231 CG LEU A1786 8.941 13.188 -35.800 1.00 0.00 C ATOM 232 CD1 LEU A1786 9.818 12.468 -36.821 1.00 0.00 C ATOM 233 CD2 LEU A1786 7.531 12.598 -35.892 1.00 0.00 C ATOM 0 HA LEU A1786 7.844 13.814 -33.298 1.00 0.00 H new ATOM 0 HB2 LEU A1786 10.611 13.210 -34.439 1.00 0.00 H new ATOM 0 HB3 LEU A1786 9.421 11.973 -34.087 1.00 0.00 H new ATOM 0 HG LEU A1786 8.895 14.258 -36.005 1.00 0.00 H new ATOM 0 HD11 LEU A1786 9.393 12.592 -37.817 1.00 0.00 H new ATOM 0 HD12 LEU A1786 10.823 12.890 -36.800 1.00 0.00 H new ATOM 0 HD13 LEU A1786 9.865 11.407 -36.576 1.00 0.00 H new ATOM 0 HD21 LEU A1786 7.142 12.740 -36.901 1.00 0.00 H new ATOM 0 HD22 LEU A1786 7.567 11.533 -35.663 1.00 0.00 H new ATOM 0 HD23 LEU A1786 6.879 13.101 -35.178 1.00 0.00 H new ATOM 245 N SER A1787 8.848 12.379 -31.398 1.00 0.00 N ATOM 246 CA SER A1787 9.172 11.745 -30.115 1.00 0.00 C ATOM 247 C SER A1787 9.155 10.209 -30.218 1.00 0.00 C ATOM 248 O SER A1787 8.792 9.639 -31.250 1.00 0.00 O ATOM 249 CB SER A1787 8.176 12.242 -29.054 1.00 0.00 C ATOM 250 OG SER A1787 8.593 11.896 -27.747 1.00 0.00 O ATOM 0 H SER A1787 8.113 11.880 -31.899 1.00 0.00 H new ATOM 0 HA SER A1787 10.185 12.024 -29.826 1.00 0.00 H new ATOM 0 HB2 SER A1787 8.073 13.325 -29.129 1.00 0.00 H new ATOM 0 HB3 SER A1787 7.193 11.814 -29.248 1.00 0.00 H new ATOM 0 HG SER A1787 7.939 12.228 -27.097 1.00 0.00 H new ATOM 256 N GLU A1788 9.531 9.515 -29.143 1.00 0.00 N ATOM 257 CA GLU A1788 9.544 8.044 -29.042 1.00 0.00 C ATOM 258 C GLU A1788 8.170 7.412 -29.348 1.00 0.00 C ATOM 259 O GLU A1788 8.095 6.349 -29.971 1.00 0.00 O ATOM 260 CB GLU A1788 10.043 7.650 -27.638 1.00 0.00 C ATOM 261 CG GLU A1788 10.256 6.142 -27.475 1.00 0.00 C ATOM 262 CD GLU A1788 10.840 5.818 -26.084 1.00 0.00 C ATOM 263 OE1 GLU A1788 10.063 5.641 -25.113 1.00 0.00 O ATOM 264 OE2 GLU A1788 12.087 5.740 -25.944 1.00 0.00 O ATOM 0 H GLU A1788 9.846 9.971 -28.287 1.00 0.00 H new ATOM 0 HA GLU A1788 10.222 7.653 -29.801 1.00 0.00 H new ATOM 0 HB2 GLU A1788 10.981 8.167 -27.434 1.00 0.00 H new ATOM 0 HB3 GLU A1788 9.323 7.991 -26.894 1.00 0.00 H new ATOM 0 HG2 GLU A1788 9.308 5.620 -27.607 1.00 0.00 H new ATOM 0 HG3 GLU A1788 10.930 5.779 -28.251 1.00 0.00 H new ATOM 271 N ASP A1789 7.084 8.086 -28.963 1.00 0.00 N ATOM 272 CA ASP A1789 5.697 7.671 -29.217 1.00 0.00 C ATOM 273 C ASP A1789 5.350 7.540 -30.716 1.00 0.00 C ATOM 274 O ASP A1789 4.570 6.665 -31.085 1.00 0.00 O ATOM 275 CB ASP A1789 4.763 8.671 -28.524 1.00 0.00 C ATOM 276 CG ASP A1789 3.290 8.245 -28.613 1.00 0.00 C ATOM 277 OD1 ASP A1789 2.898 7.276 -27.918 1.00 0.00 O ATOM 278 OD2 ASP A1789 2.504 8.915 -29.328 1.00 0.00 O ATOM 0 H ASP A1789 7.145 8.965 -28.449 1.00 0.00 H new ATOM 0 HA ASP A1789 5.567 6.669 -28.809 1.00 0.00 H new ATOM 0 HB2 ASP A1789 5.049 8.767 -27.477 1.00 0.00 H new ATOM 0 HB3 ASP A1789 4.884 9.654 -28.979 1.00 0.00 H new ATOM 283 N ASP A1790 5.944 8.360 -31.592 1.00 0.00 N ATOM 284 CA ASP A1790 5.732 8.295 -33.043 1.00 0.00 C ATOM 285 C ASP A1790 6.367 7.037 -33.658 1.00 0.00 C ATOM 286 O ASP A1790 5.797 6.402 -34.545 1.00 0.00 O ATOM 287 CB ASP A1790 6.296 9.553 -33.719 1.00 0.00 C ATOM 288 CG ASP A1790 5.622 10.840 -33.210 1.00 0.00 C ATOM 289 OD1 ASP A1790 4.433 11.072 -33.532 1.00 0.00 O ATOM 290 OD2 ASP A1790 6.288 11.626 -32.493 1.00 0.00 O ATOM 0 H ASP A1790 6.592 9.095 -31.310 1.00 0.00 H new ATOM 0 HA ASP A1790 4.657 8.242 -33.215 1.00 0.00 H new ATOM 0 HB2 ASP A1790 7.369 9.611 -33.537 1.00 0.00 H new ATOM 0 HB3 ASP A1790 6.159 9.476 -34.798 1.00 0.00 H new ATOM 295 N PHE A1791 7.540 6.635 -33.160 1.00 0.00 N ATOM 296 CA PHE A1791 8.230 5.412 -33.580 1.00 0.00 C ATOM 297 C PHE A1791 7.568 4.156 -32.986 1.00 0.00 C ATOM 298 O PHE A1791 7.366 3.173 -33.701 1.00 0.00 O ATOM 299 CB PHE A1791 9.713 5.507 -33.200 1.00 0.00 C ATOM 300 CG PHE A1791 10.401 6.782 -33.671 1.00 0.00 C ATOM 301 CD1 PHE A1791 10.265 7.213 -35.002 1.00 0.00 C ATOM 302 CD2 PHE A1791 11.167 7.552 -32.775 1.00 0.00 C ATOM 303 CE1 PHE A1791 10.858 8.416 -35.427 1.00 0.00 C ATOM 304 CE2 PHE A1791 11.762 8.753 -33.200 1.00 0.00 C ATOM 305 CZ PHE A1791 11.601 9.189 -34.527 1.00 0.00 C ATOM 0 H PHE A1791 8.044 7.158 -32.444 1.00 0.00 H new ATOM 0 HA PHE A1791 8.152 5.318 -34.663 1.00 0.00 H new ATOM 0 HB2 PHE A1791 9.803 5.439 -32.116 1.00 0.00 H new ATOM 0 HB3 PHE A1791 10.239 4.649 -33.618 1.00 0.00 H new ATOM 0 HD1 PHE A1791 9.701 6.616 -35.704 1.00 0.00 H new ATOM 0 HD2 PHE A1791 11.298 7.218 -31.756 1.00 0.00 H new ATOM 0 HE1 PHE A1791 10.740 8.744 -36.449 1.00 0.00 H new ATOM 0 HE2 PHE A1791 12.344 9.342 -32.506 1.00 0.00 H new ATOM 0 HZ PHE A1791 12.049 10.117 -34.851 1.00 0.00 H new ATOM 315 N ASP A1792 7.146 4.203 -31.719 1.00 0.00 N ATOM 316 CA ASP A1792 6.346 3.151 -31.077 1.00 0.00 C ATOM 317 C ASP A1792 5.033 2.889 -31.844 1.00 0.00 C ATOM 318 O ASP A1792 4.706 1.735 -32.130 1.00 0.00 O ATOM 319 CB ASP A1792 6.083 3.539 -29.616 1.00 0.00 C ATOM 320 CG ASP A1792 5.359 2.414 -28.861 1.00 0.00 C ATOM 321 OD1 ASP A1792 6.021 1.406 -28.514 1.00 0.00 O ATOM 322 OD2 ASP A1792 4.135 2.531 -28.602 1.00 0.00 O ATOM 0 H ASP A1792 7.353 4.986 -31.099 1.00 0.00 H new ATOM 0 HA ASP A1792 6.905 2.216 -31.098 1.00 0.00 H new ATOM 0 HB2 ASP A1792 7.028 3.762 -29.121 1.00 0.00 H new ATOM 0 HB3 ASP A1792 5.483 4.448 -29.581 1.00 0.00 H new ATOM 327 N MET A1793 4.316 3.953 -32.233 1.00 0.00 N ATOM 328 CA MET A1793 3.170 3.900 -33.150 1.00 0.00 C ATOM 329 C MET A1793 3.537 3.216 -34.473 1.00 0.00 C ATOM 330 O MET A1793 2.868 2.259 -34.858 1.00 0.00 O ATOM 331 CB MET A1793 2.633 5.323 -33.387 1.00 0.00 C ATOM 332 CG MET A1793 1.492 5.392 -34.414 1.00 0.00 C ATOM 333 SD MET A1793 0.994 7.071 -34.871 1.00 0.00 S ATOM 334 CE MET A1793 2.435 7.624 -35.836 1.00 0.00 C ATOM 0 H MET A1793 4.523 4.898 -31.910 1.00 0.00 H new ATOM 0 HA MET A1793 2.386 3.298 -32.691 1.00 0.00 H new ATOM 0 HB2 MET A1793 2.282 5.731 -32.439 1.00 0.00 H new ATOM 0 HB3 MET A1793 3.452 5.959 -33.724 1.00 0.00 H new ATOM 0 HG2 MET A1793 1.798 4.860 -35.315 1.00 0.00 H new ATOM 0 HG3 MET A1793 0.626 4.866 -34.012 1.00 0.00 H new ATOM 0 HE1 MET A1793 2.874 8.503 -35.364 1.00 0.00 H new ATOM 0 HE2 MET A1793 3.176 6.825 -35.874 1.00 0.00 H new ATOM 0 HE3 MET A1793 2.120 7.875 -36.849 1.00 0.00 H new ATOM 344 N PHE A1794 4.597 3.665 -35.155 1.00 0.00 N ATOM 345 CA PHE A1794 5.049 3.078 -36.423 1.00 0.00 C ATOM 346 C PHE A1794 5.246 1.560 -36.304 1.00 0.00 C ATOM 347 O PHE A1794 4.630 0.812 -37.061 1.00 0.00 O ATOM 348 CB PHE A1794 6.311 3.798 -36.924 1.00 0.00 C ATOM 349 CG PHE A1794 6.726 3.444 -38.348 1.00 0.00 C ATOM 350 CD1 PHE A1794 7.434 2.252 -38.607 1.00 0.00 C ATOM 351 CD2 PHE A1794 6.454 4.334 -39.408 1.00 0.00 C ATOM 352 CE1 PHE A1794 7.856 1.951 -39.913 1.00 0.00 C ATOM 353 CE2 PHE A1794 6.909 4.045 -40.709 1.00 0.00 C ATOM 354 CZ PHE A1794 7.607 2.850 -40.962 1.00 0.00 C ATOM 0 H PHE A1794 5.169 4.450 -34.842 1.00 0.00 H new ATOM 0 HA PHE A1794 4.269 3.224 -37.170 1.00 0.00 H new ATOM 0 HB2 PHE A1794 6.146 4.874 -36.865 1.00 0.00 H new ATOM 0 HB3 PHE A1794 7.136 3.565 -36.251 1.00 0.00 H new ATOM 0 HD1 PHE A1794 7.652 1.569 -37.799 1.00 0.00 H new ATOM 0 HD2 PHE A1794 5.895 5.239 -39.221 1.00 0.00 H new ATOM 0 HE1 PHE A1794 8.374 1.024 -40.111 1.00 0.00 H new ATOM 0 HE2 PHE A1794 6.722 4.741 -41.513 1.00 0.00 H new ATOM 0 HZ PHE A1794 7.950 2.625 -41.961 1.00 0.00 H new ATOM 364 N TYR A1795 6.046 1.092 -35.340 1.00 0.00 N ATOM 365 CA TYR A1795 6.330 -0.334 -35.125 1.00 0.00 C ATOM 366 C TYR A1795 5.096 -1.154 -34.698 1.00 0.00 C ATOM 367 O TYR A1795 4.978 -2.316 -35.081 1.00 0.00 O ATOM 368 CB TYR A1795 7.458 -0.507 -34.096 1.00 0.00 C ATOM 369 CG TYR A1795 8.781 0.174 -34.431 1.00 0.00 C ATOM 370 CD1 TYR A1795 9.371 0.035 -35.706 1.00 0.00 C ATOM 371 CD2 TYR A1795 9.449 0.919 -33.437 1.00 0.00 C ATOM 372 CE1 TYR A1795 10.597 0.665 -35.995 1.00 0.00 C ATOM 373 CE2 TYR A1795 10.671 1.552 -33.722 1.00 0.00 C ATOM 374 CZ TYR A1795 11.250 1.434 -35.004 1.00 0.00 C ATOM 375 OH TYR A1795 12.437 2.046 -35.273 1.00 0.00 O ATOM 0 H TYR A1795 6.523 1.702 -34.676 1.00 0.00 H new ATOM 0 HA TYR A1795 6.643 -0.728 -36.092 1.00 0.00 H new ATOM 0 HB2 TYR A1795 7.109 -0.125 -33.137 1.00 0.00 H new ATOM 0 HB3 TYR A1795 7.644 -1.573 -33.966 1.00 0.00 H new ATOM 0 HD1 TYR A1795 8.880 -0.557 -36.464 1.00 0.00 H new ATOM 0 HD2 TYR A1795 9.019 1.004 -32.450 1.00 0.00 H new ATOM 0 HE1 TYR A1795 11.039 0.561 -36.975 1.00 0.00 H new ATOM 0 HE2 TYR A1795 11.169 2.131 -32.958 1.00 0.00 H new ATOM 0 HH TYR A1795 12.726 1.815 -36.180 1.00 0.00 H new ATOM 385 N GLU A1796 4.145 -0.568 -33.961 1.00 0.00 N ATOM 386 CA GLU A1796 2.865 -1.210 -33.622 1.00 0.00 C ATOM 387 C GLU A1796 1.962 -1.393 -34.856 1.00 0.00 C ATOM 388 O GLU A1796 1.494 -2.504 -35.125 1.00 0.00 O ATOM 389 CB GLU A1796 2.157 -0.395 -32.520 1.00 0.00 C ATOM 390 CG GLU A1796 0.873 -1.084 -32.039 1.00 0.00 C ATOM 391 CD GLU A1796 0.263 -0.340 -30.837 1.00 0.00 C ATOM 392 OE1 GLU A1796 -0.523 0.617 -31.041 1.00 0.00 O ATOM 393 OE2 GLU A1796 0.543 -0.724 -29.669 1.00 0.00 O ATOM 0 H GLU A1796 4.241 0.373 -33.579 1.00 0.00 H new ATOM 0 HA GLU A1796 3.073 -2.212 -33.246 1.00 0.00 H new ATOM 0 HB2 GLU A1796 2.834 -0.258 -31.677 1.00 0.00 H new ATOM 0 HB3 GLU A1796 1.917 0.598 -32.900 1.00 0.00 H new ATOM 0 HG2 GLU A1796 0.149 -1.121 -32.853 1.00 0.00 H new ATOM 0 HG3 GLU A1796 1.092 -2.115 -31.760 1.00 0.00 H new ATOM 400 N ILE A1797 1.716 -0.318 -35.619 1.00 0.00 N ATOM 401 CA ILE A1797 0.908 -0.332 -36.851 1.00 0.00 C ATOM 402 C ILE A1797 1.541 -1.215 -37.943 1.00 0.00 C ATOM 403 O ILE A1797 0.824 -1.891 -38.683 1.00 0.00 O ATOM 404 CB ILE A1797 0.664 1.122 -37.331 1.00 0.00 C ATOM 405 CG1 ILE A1797 -0.110 1.984 -36.304 1.00 0.00 C ATOM 406 CG2 ILE A1797 -0.076 1.171 -38.677 1.00 0.00 C ATOM 407 CD1 ILE A1797 -1.537 1.517 -35.971 1.00 0.00 C ATOM 0 H ILE A1797 2.081 0.607 -35.393 1.00 0.00 H new ATOM 0 HA ILE A1797 -0.060 -0.783 -36.631 1.00 0.00 H new ATOM 0 HB ILE A1797 1.662 1.545 -37.449 1.00 0.00 H new ATOM 0 HG12 ILE A1797 0.466 2.016 -35.379 1.00 0.00 H new ATOM 0 HG13 ILE A1797 -0.162 3.005 -36.682 1.00 0.00 H new ATOM 0 HG21 ILE A1797 -0.225 2.209 -38.973 1.00 0.00 H new ATOM 0 HG22 ILE A1797 0.515 0.658 -39.436 1.00 0.00 H new ATOM 0 HG23 ILE A1797 -1.044 0.680 -38.578 1.00 0.00 H new ATOM 0 HD11 ILE A1797 -1.981 2.195 -35.242 1.00 0.00 H new ATOM 0 HD12 ILE A1797 -2.140 1.514 -36.879 1.00 0.00 H new ATOM 0 HD13 ILE A1797 -1.503 0.510 -35.555 1.00 0.00 H new ATOM 419 N TRP A1798 2.874 -1.281 -38.022 1.00 0.00 N ATOM 420 CA TRP A1798 3.636 -2.076 -38.995 1.00 0.00 C ATOM 421 C TRP A1798 3.237 -3.560 -39.043 1.00 0.00 C ATOM 422 O TRP A1798 3.038 -4.116 -40.125 1.00 0.00 O ATOM 423 CB TRP A1798 5.135 -1.921 -38.691 1.00 0.00 C ATOM 424 CG TRP A1798 6.047 -2.733 -39.552 1.00 0.00 C ATOM 425 CD1 TRP A1798 6.570 -3.940 -39.237 1.00 0.00 C ATOM 426 CD2 TRP A1798 6.533 -2.419 -40.887 1.00 0.00 C ATOM 427 NE1 TRP A1798 7.291 -4.424 -40.311 1.00 0.00 N ATOM 428 CE2 TRP A1798 7.300 -3.526 -41.352 1.00 0.00 C ATOM 429 CE3 TRP A1798 6.387 -1.323 -41.759 1.00 0.00 C ATOM 430 CZ2 TRP A1798 7.864 -3.554 -42.634 1.00 0.00 C ATOM 431 CZ3 TRP A1798 6.966 -1.333 -43.041 1.00 0.00 C ATOM 432 CH2 TRP A1798 7.700 -2.448 -43.485 1.00 0.00 C ATOM 0 H TRP A1798 3.478 -0.761 -37.385 1.00 0.00 H new ATOM 0 HA TRP A1798 3.400 -1.689 -39.986 1.00 0.00 H new ATOM 0 HB2 TRP A1798 5.404 -0.870 -38.795 1.00 0.00 H new ATOM 0 HB3 TRP A1798 5.308 -2.192 -37.650 1.00 0.00 H new ATOM 0 HD1 TRP A1798 6.443 -4.447 -38.292 1.00 0.00 H new ATOM 0 HE1 TRP A1798 7.757 -5.331 -40.329 1.00 0.00 H new ATOM 0 HE3 TRP A1798 5.821 -0.461 -41.438 1.00 0.00 H new ATOM 0 HZ2 TRP A1798 8.420 -4.418 -42.965 1.00 0.00 H new ATOM 0 HZ3 TRP A1798 6.846 -0.478 -43.690 1.00 0.00 H new ATOM 0 HH2 TRP A1798 8.135 -2.454 -44.474 1.00 0.00 H new ATOM 443 N GLU A1799 3.064 -4.207 -37.885 1.00 0.00 N ATOM 444 CA GLU A1799 2.731 -5.639 -37.780 1.00 0.00 C ATOM 445 C GLU A1799 1.374 -6.015 -38.412 1.00 0.00 C ATOM 446 O GLU A1799 1.163 -7.185 -38.748 1.00 0.00 O ATOM 447 CB GLU A1799 2.747 -6.081 -36.310 1.00 0.00 C ATOM 448 CG GLU A1799 4.151 -6.026 -35.690 1.00 0.00 C ATOM 449 CD GLU A1799 4.150 -6.656 -34.285 1.00 0.00 C ATOM 450 OE1 GLU A1799 3.829 -5.950 -33.294 1.00 0.00 O ATOM 451 OE2 GLU A1799 4.469 -7.866 -34.149 1.00 0.00 O ATOM 0 H GLU A1799 3.152 -3.747 -36.979 1.00 0.00 H new ATOM 0 HA GLU A1799 3.498 -6.164 -38.349 1.00 0.00 H new ATOM 0 HB2 GLU A1799 2.075 -5.443 -35.736 1.00 0.00 H new ATOM 0 HB3 GLU A1799 2.361 -7.098 -36.236 1.00 0.00 H new ATOM 0 HG2 GLU A1799 4.858 -6.554 -36.330 1.00 0.00 H new ATOM 0 HG3 GLU A1799 4.487 -4.991 -35.630 1.00 0.00 H new ATOM 458 N LYS A1800 0.475 -5.044 -38.640 1.00 0.00 N ATOM 459 CA LYS A1800 -0.798 -5.226 -39.361 1.00 0.00 C ATOM 460 C LYS A1800 -0.616 -5.479 -40.866 1.00 0.00 C ATOM 461 O LYS A1800 -1.526 -6.016 -41.511 1.00 0.00 O ATOM 462 CB LYS A1800 -1.712 -4.008 -39.133 1.00 0.00 C ATOM 463 CG LYS A1800 -1.975 -3.709 -37.651 1.00 0.00 C ATOM 464 CD LYS A1800 -3.001 -2.576 -37.488 1.00 0.00 C ATOM 465 CE LYS A1800 -3.252 -2.313 -35.999 1.00 0.00 C ATOM 466 NZ LYS A1800 -4.317 -1.296 -35.794 1.00 0.00 N ATOM 0 H LYS A1800 0.616 -4.086 -38.320 1.00 0.00 H new ATOM 0 HA LYS A1800 -1.263 -6.123 -38.952 1.00 0.00 H new ATOM 0 HB2 LYS A1800 -1.259 -3.132 -39.597 1.00 0.00 H new ATOM 0 HB3 LYS A1800 -2.664 -4.179 -39.636 1.00 0.00 H new ATOM 0 HG2 LYS A1800 -2.340 -4.608 -37.155 1.00 0.00 H new ATOM 0 HG3 LYS A1800 -1.041 -3.431 -37.162 1.00 0.00 H new ATOM 0 HD2 LYS A1800 -2.635 -1.670 -37.970 1.00 0.00 H new ATOM 0 HD3 LYS A1800 -3.935 -2.845 -37.982 1.00 0.00 H new ATOM 0 HE2 LYS A1800 -3.537 -3.243 -35.508 1.00 0.00 H new ATOM 0 HE3 LYS A1800 -2.329 -1.974 -35.528 1.00 0.00 H new ATOM 0 HZ1 LYS A1800 -4.460 -1.143 -34.775 1.00 0.00 H new ATOM 0 HZ2 LYS A1800 -4.033 -0.401 -36.242 1.00 0.00 H new ATOM 0 HZ3 LYS A1800 -5.204 -1.631 -36.222 1.00 0.00 H new ATOM 480 N PHE A1801 0.555 -5.136 -41.414 1.00 0.00 N ATOM 481 CA PHE A1801 0.922 -5.243 -42.837 1.00 0.00 C ATOM 482 C PHE A1801 2.144 -6.144 -43.084 1.00 0.00 C ATOM 483 O PHE A1801 2.326 -6.640 -44.195 1.00 0.00 O ATOM 484 CB PHE A1801 1.148 -3.830 -43.398 1.00 0.00 C ATOM 485 CG PHE A1801 -0.038 -2.913 -43.156 1.00 0.00 C ATOM 486 CD1 PHE A1801 -1.155 -2.955 -44.011 1.00 0.00 C ATOM 487 CD2 PHE A1801 -0.068 -2.093 -42.010 1.00 0.00 C ATOM 488 CE1 PHE A1801 -2.284 -2.169 -43.728 1.00 0.00 C ATOM 489 CE2 PHE A1801 -1.199 -1.310 -41.729 1.00 0.00 C ATOM 490 CZ PHE A1801 -2.308 -1.345 -42.589 1.00 0.00 C ATOM 0 H PHE A1801 1.315 -4.756 -40.850 1.00 0.00 H new ATOM 0 HA PHE A1801 0.098 -5.727 -43.361 1.00 0.00 H new ATOM 0 HB2 PHE A1801 2.037 -3.398 -42.939 1.00 0.00 H new ATOM 0 HB3 PHE A1801 1.341 -3.894 -44.469 1.00 0.00 H new ATOM 0 HD1 PHE A1801 -1.144 -3.591 -44.884 1.00 0.00 H new ATOM 0 HD2 PHE A1801 0.783 -2.067 -41.345 1.00 0.00 H new ATOM 0 HE1 PHE A1801 -3.138 -2.198 -44.389 1.00 0.00 H new ATOM 0 HE2 PHE A1801 -1.216 -0.681 -40.851 1.00 0.00 H new ATOM 0 HZ PHE A1801 -3.177 -0.741 -42.376 1.00 0.00 H new ATOM 500 N ASP A1802 2.922 -6.429 -42.039 1.00 0.00 N ATOM 501 CA ASP A1802 4.006 -7.416 -41.987 1.00 0.00 C ATOM 502 C ASP A1802 3.657 -8.573 -41.019 1.00 0.00 C ATOM 503 O ASP A1802 4.179 -8.630 -39.897 1.00 0.00 O ATOM 504 CB ASP A1802 5.312 -6.698 -41.606 1.00 0.00 C ATOM 505 CG ASP A1802 6.539 -7.621 -41.572 1.00 0.00 C ATOM 506 OD1 ASP A1802 6.478 -8.758 -42.089 1.00 0.00 O ATOM 507 OD2 ASP A1802 7.580 -7.191 -41.021 1.00 0.00 O ATOM 0 H ASP A1802 2.806 -5.946 -41.148 1.00 0.00 H new ATOM 0 HA ASP A1802 4.141 -7.875 -42.966 1.00 0.00 H new ATOM 0 HB2 ASP A1802 5.494 -5.893 -42.318 1.00 0.00 H new ATOM 0 HB3 ASP A1802 5.189 -6.236 -40.627 1.00 0.00 H new ATOM 512 N PRO A1803 2.777 -9.515 -41.418 1.00 0.00 N ATOM 513 CA PRO A1803 2.415 -10.678 -40.597 1.00 0.00 C ATOM 514 C PRO A1803 3.550 -11.712 -40.476 1.00 0.00 C ATOM 515 O PRO A1803 3.549 -12.544 -39.564 1.00 0.00 O ATOM 516 CB PRO A1803 1.182 -11.273 -41.282 1.00 0.00 C ATOM 517 CG PRO A1803 1.393 -10.931 -42.752 1.00 0.00 C ATOM 518 CD PRO A1803 2.059 -9.561 -42.688 1.00 0.00 C ATOM 0 HA PRO A1803 2.217 -10.380 -39.567 1.00 0.00 H new ATOM 0 HB2 PRO A1803 1.116 -12.350 -41.126 1.00 0.00 H new ATOM 0 HB3 PRO A1803 0.260 -10.838 -40.897 1.00 0.00 H new ATOM 0 HG2 PRO A1803 2.025 -11.665 -43.251 1.00 0.00 H new ATOM 0 HG3 PRO A1803 0.451 -10.897 -43.299 1.00 0.00 H new ATOM 0 HD2 PRO A1803 2.742 -9.421 -43.526 1.00 0.00 H new ATOM 0 HD3 PRO A1803 1.317 -8.765 -42.744 1.00 0.00 H new ATOM 526 N GLU A1804 4.543 -11.652 -41.368 1.00 0.00 N ATOM 527 CA GLU A1804 5.760 -12.471 -41.339 1.00 0.00 C ATOM 528 C GLU A1804 6.817 -11.956 -40.337 1.00 0.00 C ATOM 529 O GLU A1804 7.795 -12.655 -40.058 1.00 0.00 O ATOM 530 CB GLU A1804 6.386 -12.503 -42.744 1.00 0.00 C ATOM 531 CG GLU A1804 5.464 -13.125 -43.809 1.00 0.00 C ATOM 532 CD GLU A1804 6.149 -13.120 -45.187 1.00 0.00 C ATOM 533 OE1 GLU A1804 6.225 -12.040 -45.821 1.00 0.00 O ATOM 534 OE2 GLU A1804 6.604 -14.190 -45.655 1.00 0.00 O ATOM 0 H GLU A1804 4.521 -11.009 -42.159 1.00 0.00 H new ATOM 0 HA GLU A1804 5.461 -13.467 -41.014 1.00 0.00 H new ATOM 0 HB2 GLU A1804 6.641 -11.486 -43.044 1.00 0.00 H new ATOM 0 HB3 GLU A1804 7.318 -13.067 -42.706 1.00 0.00 H new ATOM 0 HG2 GLU A1804 5.210 -14.147 -43.526 1.00 0.00 H new ATOM 0 HG3 GLU A1804 4.529 -12.567 -43.859 1.00 0.00 H new ATOM 541 N ALA A1805 6.639 -10.739 -39.803 1.00 0.00 N ATOM 542 CA ALA A1805 7.629 -9.953 -39.049 1.00 0.00 C ATOM 543 C ALA A1805 9.007 -9.805 -39.758 1.00 0.00 C ATOM 544 O ALA A1805 10.024 -9.534 -39.114 1.00 0.00 O ATOM 545 CB ALA A1805 7.718 -10.489 -37.612 1.00 0.00 C ATOM 0 H ALA A1805 5.749 -10.248 -39.890 1.00 0.00 H new ATOM 0 HA ALA A1805 7.275 -8.923 -39.007 1.00 0.00 H new ATOM 0 HB1 ALA A1805 8.451 -9.908 -37.052 1.00 0.00 H new ATOM 0 HB2 ALA A1805 6.743 -10.404 -37.131 1.00 0.00 H new ATOM 0 HB3 ALA A1805 8.023 -11.535 -37.632 1.00 0.00 H new ATOM 551 N THR A1806 9.054 -9.987 -41.084 1.00 0.00 N ATOM 552 CA THR A1806 10.281 -10.041 -41.902 1.00 0.00 C ATOM 553 C THR A1806 10.976 -8.677 -42.091 1.00 0.00 C ATOM 554 O THR A1806 12.116 -8.628 -42.553 1.00 0.00 O ATOM 555 CB THR A1806 9.976 -10.723 -43.254 1.00 0.00 C ATOM 556 OG1 THR A1806 11.157 -11.127 -43.919 1.00 0.00 O ATOM 557 CG2 THR A1806 9.176 -9.868 -44.227 1.00 0.00 C ATOM 0 H THR A1806 8.208 -10.106 -41.641 1.00 0.00 H new ATOM 0 HA THR A1806 11.004 -10.640 -41.348 1.00 0.00 H new ATOM 0 HB THR A1806 9.368 -11.583 -42.973 1.00 0.00 H new ATOM 0 HG1 THR A1806 11.905 -10.564 -43.629 1.00 0.00 H new ATOM 0 HG21 THR A1806 9.008 -10.426 -45.148 1.00 0.00 H new ATOM 0 HG22 THR A1806 8.216 -9.609 -43.780 1.00 0.00 H new ATOM 0 HG23 THR A1806 9.730 -8.956 -44.451 1.00 0.00 H new ATOM 565 N GLN A1807 10.329 -7.571 -41.696 1.00 0.00 N ATOM 566 CA GLN A1807 10.775 -6.172 -41.846 1.00 0.00 C ATOM 567 C GLN A1807 10.701 -5.648 -43.297 1.00 0.00 C ATOM 568 O GLN A1807 11.318 -4.634 -43.628 1.00 0.00 O ATOM 569 CB GLN A1807 12.141 -5.908 -41.167 1.00 0.00 C ATOM 570 CG GLN A1807 12.281 -6.456 -39.737 1.00 0.00 C ATOM 571 CD GLN A1807 11.215 -5.917 -38.780 1.00 0.00 C ATOM 572 OE1 GLN A1807 11.181 -4.740 -38.443 1.00 0.00 O ATOM 573 NE2 GLN A1807 10.321 -6.751 -38.289 1.00 0.00 N ATOM 0 H GLN A1807 9.422 -7.630 -41.233 1.00 0.00 H new ATOM 0 HA GLN A1807 10.047 -5.573 -41.300 1.00 0.00 H new ATOM 0 HB2 GLN A1807 12.926 -6.345 -41.784 1.00 0.00 H new ATOM 0 HB3 GLN A1807 12.315 -4.832 -41.145 1.00 0.00 H new ATOM 0 HG2 GLN A1807 12.220 -7.544 -39.764 1.00 0.00 H new ATOM 0 HG3 GLN A1807 13.268 -6.202 -39.352 1.00 0.00 H new ATOM 0 HE21 GLN A1807 10.337 -7.734 -38.561 1.00 0.00 H new ATOM 0 HE22 GLN A1807 9.613 -6.414 -37.637 1.00 0.00 H new ATOM 582 N PHE A1808 9.892 -6.292 -44.147 1.00 0.00 N ATOM 583 CA PHE A1808 9.579 -5.882 -45.520 1.00 0.00 C ATOM 584 C PHE A1808 8.065 -5.996 -45.796 1.00 0.00 C ATOM 585 O PHE A1808 7.451 -6.984 -45.386 1.00 0.00 O ATOM 586 CB PHE A1808 10.361 -6.774 -46.508 1.00 0.00 C ATOM 587 CG PHE A1808 11.864 -6.818 -46.295 1.00 0.00 C ATOM 588 CD1 PHE A1808 12.684 -5.779 -46.777 1.00 0.00 C ATOM 589 CD2 PHE A1808 12.451 -7.908 -45.629 1.00 0.00 C ATOM 590 CE1 PHE A1808 14.073 -5.823 -46.567 1.00 0.00 C ATOM 591 CE2 PHE A1808 13.840 -7.944 -45.410 1.00 0.00 C ATOM 592 CZ PHE A1808 14.653 -6.900 -45.880 1.00 0.00 C ATOM 0 H PHE A1808 9.415 -7.154 -43.883 1.00 0.00 H new ATOM 0 HA PHE A1808 9.871 -4.840 -45.651 1.00 0.00 H new ATOM 0 HB2 PHE A1808 9.972 -7.790 -46.441 1.00 0.00 H new ATOM 0 HB3 PHE A1808 10.165 -6.424 -47.521 1.00 0.00 H new ATOM 0 HD1 PHE A1808 12.245 -4.948 -47.308 1.00 0.00 H new ATOM 0 HD2 PHE A1808 11.832 -8.723 -45.283 1.00 0.00 H new ATOM 0 HE1 PHE A1808 14.697 -5.023 -46.937 1.00 0.00 H new ATOM 0 HE2 PHE A1808 14.281 -8.775 -44.880 1.00 0.00 H new ATOM 0 HZ PHE A1808 15.720 -6.926 -45.713 1.00 0.00 H new ATOM 602 N ILE A1809 7.466 -5.057 -46.546 1.00 0.00 N ATOM 603 CA ILE A1809 6.065 -5.141 -47.034 1.00 0.00 C ATOM 604 C ILE A1809 5.955 -4.840 -48.527 1.00 0.00 C ATOM 605 O ILE A1809 6.811 -4.164 -49.090 1.00 0.00 O ATOM 606 CB ILE A1809 5.088 -4.234 -46.247 1.00 0.00 C ATOM 607 CG1 ILE A1809 5.393 -2.728 -46.412 1.00 0.00 C ATOM 608 CG2 ILE A1809 5.045 -4.677 -44.783 1.00 0.00 C ATOM 609 CD1 ILE A1809 4.411 -1.806 -45.677 1.00 0.00 C ATOM 0 H ILE A1809 7.941 -4.203 -46.839 1.00 0.00 H new ATOM 0 HA ILE A1809 5.770 -6.176 -46.860 1.00 0.00 H new ATOM 0 HB ILE A1809 4.092 -4.357 -46.672 1.00 0.00 H new ATOM 0 HG12 ILE A1809 6.401 -2.531 -46.049 1.00 0.00 H new ATOM 0 HG13 ILE A1809 5.382 -2.480 -47.473 1.00 0.00 H new ATOM 0 HG21 ILE A1809 4.357 -4.038 -44.230 1.00 0.00 H new ATOM 0 HG22 ILE A1809 4.705 -5.711 -44.726 1.00 0.00 H new ATOM 0 HG23 ILE A1809 6.042 -4.598 -44.349 1.00 0.00 H new ATOM 0 HD11 ILE A1809 4.694 -0.767 -45.843 1.00 0.00 H new ATOM 0 HD12 ILE A1809 3.403 -1.972 -46.056 1.00 0.00 H new ATOM 0 HD13 ILE A1809 4.438 -2.023 -44.609 1.00 0.00 H new ATOM 621 N GLU A1810 4.889 -5.321 -49.167 1.00 0.00 N ATOM 622 CA GLU A1810 4.592 -5.069 -50.590 1.00 0.00 C ATOM 623 C GLU A1810 4.104 -3.628 -50.832 1.00 0.00 C ATOM 624 O GLU A1810 3.393 -3.047 -50.006 1.00 0.00 O ATOM 625 CB GLU A1810 3.531 -6.062 -51.103 1.00 0.00 C ATOM 626 CG GLU A1810 4.018 -7.514 -51.101 1.00 0.00 C ATOM 627 CD GLU A1810 2.891 -8.480 -51.528 1.00 0.00 C ATOM 628 OE1 GLU A1810 2.133 -8.964 -50.649 1.00 0.00 O ATOM 629 OE2 GLU A1810 2.769 -8.788 -52.739 1.00 0.00 O ATOM 0 H GLU A1810 4.191 -5.908 -48.709 1.00 0.00 H new ATOM 0 HA GLU A1810 5.523 -5.208 -51.140 1.00 0.00 H new ATOM 0 HB2 GLU A1810 2.638 -5.983 -50.483 1.00 0.00 H new ATOM 0 HB3 GLU A1810 3.241 -5.784 -52.116 1.00 0.00 H new ATOM 0 HG2 GLU A1810 4.866 -7.617 -51.778 1.00 0.00 H new ATOM 0 HG3 GLU A1810 4.372 -7.781 -50.105 1.00 0.00 H new ATOM 636 N TYR A1811 4.404 -3.063 -52.007 1.00 0.00 N ATOM 637 CA TYR A1811 3.955 -1.718 -52.394 1.00 0.00 C ATOM 638 C TYR A1811 2.420 -1.585 -52.420 1.00 0.00 C ATOM 639 O TYR A1811 1.874 -0.521 -52.117 1.00 0.00 O ATOM 640 CB TYR A1811 4.547 -1.346 -53.761 1.00 0.00 C ATOM 641 CG TYR A1811 4.599 0.150 -54.014 1.00 0.00 C ATOM 642 CD1 TYR A1811 5.472 0.951 -53.251 1.00 0.00 C ATOM 643 CD2 TYR A1811 3.803 0.741 -55.015 1.00 0.00 C ATOM 644 CE1 TYR A1811 5.551 2.337 -53.483 1.00 0.00 C ATOM 645 CE2 TYR A1811 3.879 2.130 -55.253 1.00 0.00 C ATOM 646 CZ TYR A1811 4.752 2.934 -54.481 1.00 0.00 C ATOM 647 OH TYR A1811 4.831 4.273 -54.708 1.00 0.00 O ATOM 0 H TYR A1811 4.967 -3.527 -52.720 1.00 0.00 H new ATOM 0 HA TYR A1811 4.315 -1.025 -51.633 1.00 0.00 H new ATOM 0 HB2 TYR A1811 5.555 -1.754 -53.834 1.00 0.00 H new ATOM 0 HB3 TYR A1811 3.955 -1.818 -54.545 1.00 0.00 H new ATOM 0 HD1 TYR A1811 6.084 0.499 -52.484 1.00 0.00 H new ATOM 0 HD2 TYR A1811 3.133 0.130 -55.602 1.00 0.00 H new ATOM 0 HE1 TYR A1811 6.224 2.944 -52.896 1.00 0.00 H new ATOM 0 HE2 TYR A1811 3.271 2.580 -56.024 1.00 0.00 H new ATOM 0 HH TYR A1811 5.734 4.588 -54.496 1.00 0.00 H new ATOM 657 N SER A1812 1.722 -2.684 -52.716 1.00 0.00 N ATOM 658 CA SER A1812 0.259 -2.820 -52.709 1.00 0.00 C ATOM 659 C SER A1812 -0.401 -2.724 -51.327 1.00 0.00 C ATOM 660 O SER A1812 -1.613 -2.524 -51.256 1.00 0.00 O ATOM 661 CB SER A1812 -0.128 -4.156 -53.365 1.00 0.00 C ATOM 662 OG SER A1812 0.500 -5.234 -52.681 1.00 0.00 O ATOM 0 H SER A1812 2.186 -3.552 -52.982 1.00 0.00 H new ATOM 0 HA SER A1812 -0.117 -1.965 -53.271 1.00 0.00 H new ATOM 0 HB2 SER A1812 -1.211 -4.282 -53.342 1.00 0.00 H new ATOM 0 HB3 SER A1812 0.171 -4.156 -54.413 1.00 0.00 H new ATOM 0 HG SER A1812 0.247 -6.081 -53.104 1.00 0.00 H new ATOM 668 N VAL A1813 0.369 -2.823 -50.233 1.00 0.00 N ATOM 669 CA VAL A1813 -0.112 -2.618 -48.845 1.00 0.00 C ATOM 670 C VAL A1813 0.585 -1.465 -48.121 1.00 0.00 C ATOM 671 O VAL A1813 0.040 -0.955 -47.142 1.00 0.00 O ATOM 672 CB VAL A1813 -0.079 -3.909 -48.005 1.00 0.00 C ATOM 673 CG1 VAL A1813 -0.932 -5.013 -48.645 1.00 0.00 C ATOM 674 CG2 VAL A1813 1.335 -4.442 -47.765 1.00 0.00 C ATOM 0 H VAL A1813 1.362 -3.052 -50.281 1.00 0.00 H new ATOM 0 HA VAL A1813 -1.157 -2.328 -48.953 1.00 0.00 H new ATOM 0 HB VAL A1813 -0.496 -3.633 -47.037 1.00 0.00 H new ATOM 0 HG11 VAL A1813 -0.888 -5.911 -48.028 1.00 0.00 H new ATOM 0 HG12 VAL A1813 -1.966 -4.676 -48.721 1.00 0.00 H new ATOM 0 HG13 VAL A1813 -0.549 -5.238 -49.640 1.00 0.00 H new ATOM 0 HG21 VAL A1813 1.284 -5.352 -47.167 1.00 0.00 H new ATOM 0 HG22 VAL A1813 1.808 -4.662 -48.722 1.00 0.00 H new ATOM 0 HG23 VAL A1813 1.921 -3.692 -47.235 1.00 0.00 H new ATOM 684 N LEU A1814 1.731 -0.992 -48.621 1.00 0.00 N ATOM 685 CA LEU A1814 2.416 0.220 -48.145 1.00 0.00 C ATOM 686 C LEU A1814 1.491 1.447 -48.210 1.00 0.00 C ATOM 687 O LEU A1814 1.428 2.220 -47.257 1.00 0.00 O ATOM 688 CB LEU A1814 3.707 0.404 -48.959 1.00 0.00 C ATOM 689 CG LEU A1814 4.741 1.383 -48.362 1.00 0.00 C ATOM 690 CD1 LEU A1814 6.107 1.099 -48.987 1.00 0.00 C ATOM 691 CD2 LEU A1814 4.447 2.859 -48.630 1.00 0.00 C ATOM 0 H LEU A1814 2.223 -1.451 -49.388 1.00 0.00 H new ATOM 0 HA LEU A1814 2.683 0.110 -47.094 1.00 0.00 H new ATOM 0 HB2 LEU A1814 4.182 -0.570 -49.077 1.00 0.00 H new ATOM 0 HB3 LEU A1814 3.439 0.751 -49.957 1.00 0.00 H new ATOM 0 HG LEU A1814 4.706 1.221 -47.285 1.00 0.00 H new ATOM 0 HD11 LEU A1814 6.846 1.785 -48.573 1.00 0.00 H new ATOM 0 HD12 LEU A1814 6.401 0.073 -48.768 1.00 0.00 H new ATOM 0 HD13 LEU A1814 6.049 1.237 -50.067 1.00 0.00 H new ATOM 0 HD21 LEU A1814 5.224 3.473 -48.175 1.00 0.00 H new ATOM 0 HD22 LEU A1814 4.428 3.037 -49.705 1.00 0.00 H new ATOM 0 HD23 LEU A1814 3.480 3.121 -48.201 1.00 0.00 H new ATOM 703 N SER A1815 0.721 1.598 -49.290 1.00 0.00 N ATOM 704 CA SER A1815 -0.273 2.669 -49.451 1.00 0.00 C ATOM 705 C SER A1815 -1.406 2.647 -48.413 1.00 0.00 C ATOM 706 O SER A1815 -1.905 3.703 -48.025 1.00 0.00 O ATOM 707 CB SER A1815 -0.844 2.638 -50.872 1.00 0.00 C ATOM 708 OG SER A1815 -1.400 1.358 -51.168 1.00 0.00 O ATOM 0 H SER A1815 0.769 0.970 -50.093 1.00 0.00 H new ATOM 0 HA SER A1815 0.259 3.604 -49.276 1.00 0.00 H new ATOM 0 HB2 SER A1815 -1.611 3.405 -50.977 1.00 0.00 H new ATOM 0 HB3 SER A1815 -0.058 2.873 -51.590 1.00 0.00 H new ATOM 0 HG SER A1815 -1.760 1.361 -52.079 1.00 0.00 H new ATOM 714 N ASP A1816 -1.787 1.475 -47.907 1.00 0.00 N ATOM 715 CA ASP A1816 -2.765 1.346 -46.819 1.00 0.00 C ATOM 716 C ASP A1816 -2.126 1.542 -45.429 1.00 0.00 C ATOM 717 O ASP A1816 -2.710 2.207 -44.575 1.00 0.00 O ATOM 718 CB ASP A1816 -3.491 -0.002 -46.924 1.00 0.00 C ATOM 719 CG ASP A1816 -4.871 0.057 -46.250 1.00 0.00 C ATOM 720 OD1 ASP A1816 -5.743 0.809 -46.745 1.00 0.00 O ATOM 721 OD2 ASP A1816 -5.092 -0.650 -45.234 1.00 0.00 O ATOM 0 H ASP A1816 -1.426 0.581 -48.240 1.00 0.00 H new ATOM 0 HA ASP A1816 -3.497 2.146 -46.930 1.00 0.00 H new ATOM 0 HB2 ASP A1816 -3.607 -0.275 -47.973 1.00 0.00 H new ATOM 0 HB3 ASP A1816 -2.888 -0.780 -46.457 1.00 0.00 H new ATOM 726 N PHE A1817 -0.889 1.060 -45.231 1.00 0.00 N ATOM 727 CA PHE A1817 -0.046 1.329 -44.060 1.00 0.00 C ATOM 728 C PHE A1817 0.197 2.833 -43.848 1.00 0.00 C ATOM 729 O PHE A1817 0.023 3.342 -42.738 1.00 0.00 O ATOM 730 CB PHE A1817 1.279 0.568 -44.205 1.00 0.00 C ATOM 731 CG PHE A1817 2.341 0.969 -43.202 1.00 0.00 C ATOM 732 CD1 PHE A1817 2.146 0.713 -41.832 1.00 0.00 C ATOM 733 CD2 PHE A1817 3.502 1.640 -43.627 1.00 0.00 C ATOM 734 CE1 PHE A1817 3.108 1.121 -40.889 1.00 0.00 C ATOM 735 CE2 PHE A1817 4.463 2.050 -42.685 1.00 0.00 C ATOM 736 CZ PHE A1817 4.265 1.791 -41.319 1.00 0.00 C ATOM 0 H PHE A1817 -0.433 0.449 -45.909 1.00 0.00 H new ATOM 0 HA PHE A1817 -0.572 0.978 -43.172 1.00 0.00 H new ATOM 0 HB2 PHE A1817 1.084 -0.500 -44.103 1.00 0.00 H new ATOM 0 HB3 PHE A1817 1.667 0.727 -45.211 1.00 0.00 H new ATOM 0 HD1 PHE A1817 1.254 0.201 -41.503 1.00 0.00 H new ATOM 0 HD2 PHE A1817 3.656 1.841 -44.677 1.00 0.00 H new ATOM 0 HE1 PHE A1817 2.957 0.920 -39.839 1.00 0.00 H new ATOM 0 HE2 PHE A1817 5.354 2.565 -43.013 1.00 0.00 H new ATOM 0 HZ PHE A1817 5.004 2.108 -40.598 1.00 0.00 H new ATOM 746 N ALA A1818 0.536 3.561 -44.912 1.00 0.00 N ATOM 747 CA ALA A1818 0.726 5.013 -44.925 1.00 0.00 C ATOM 748 C ALA A1818 -0.500 5.796 -44.402 1.00 0.00 C ATOM 749 O ALA A1818 -0.350 6.890 -43.855 1.00 0.00 O ATOM 750 CB ALA A1818 1.070 5.422 -46.357 1.00 0.00 C ATOM 0 H ALA A1818 0.692 3.138 -45.827 1.00 0.00 H new ATOM 0 HA ALA A1818 1.536 5.265 -44.241 1.00 0.00 H new ATOM 0 HB1 ALA A1818 1.218 6.501 -46.402 1.00 0.00 H new ATOM 0 HB2 ALA A1818 1.984 4.917 -46.670 1.00 0.00 H new ATOM 0 HB3 ALA A1818 0.254 5.140 -47.022 1.00 0.00 H new ATOM 756 N ASP A1819 -1.703 5.216 -44.509 1.00 0.00 N ATOM 757 CA ASP A1819 -2.976 5.763 -44.024 1.00 0.00 C ATOM 758 C ASP A1819 -3.453 5.152 -42.679 1.00 0.00 C ATOM 759 O ASP A1819 -4.420 5.630 -42.089 1.00 0.00 O ATOM 760 CB ASP A1819 -4.019 5.612 -45.140 1.00 0.00 C ATOM 761 CG ASP A1819 -5.352 6.316 -44.826 1.00 0.00 C ATOM 762 OD1 ASP A1819 -5.373 7.573 -44.793 1.00 0.00 O ATOM 763 OD2 ASP A1819 -6.389 5.631 -44.645 1.00 0.00 O ATOM 0 H ASP A1819 -1.820 4.308 -44.958 1.00 0.00 H new ATOM 0 HA ASP A1819 -2.830 6.818 -43.791 1.00 0.00 H new ATOM 0 HB2 ASP A1819 -3.611 6.017 -46.066 1.00 0.00 H new ATOM 0 HB3 ASP A1819 -4.207 4.552 -45.311 1.00 0.00 H new ATOM 768 N ALA A1820 -2.763 4.134 -42.153 1.00 0.00 N ATOM 769 CA ALA A1820 -3.089 3.506 -40.866 1.00 0.00 C ATOM 770 C ALA A1820 -2.435 4.221 -39.662 1.00 0.00 C ATOM 771 O ALA A1820 -2.880 4.067 -38.522 1.00 0.00 O ATOM 772 CB ALA A1820 -2.671 2.034 -40.936 1.00 0.00 C ATOM 0 H ALA A1820 -1.953 3.718 -42.613 1.00 0.00 H new ATOM 0 HA ALA A1820 -4.163 3.589 -40.699 1.00 0.00 H new ATOM 0 HB1 ALA A1820 -2.903 1.544 -39.990 1.00 0.00 H new ATOM 0 HB2 ALA A1820 -3.212 1.540 -41.743 1.00 0.00 H new ATOM 0 HB3 ALA A1820 -1.599 1.969 -41.125 1.00 0.00 H new ATOM 778 N LEU A1821 -1.392 5.007 -39.916 1.00 0.00 N ATOM 779 CA LEU A1821 -0.652 5.837 -38.957 1.00 0.00 C ATOM 780 C LEU A1821 -1.438 7.099 -38.543 1.00 0.00 C ATOM 781 O LEU A1821 -2.416 7.490 -39.195 1.00 0.00 O ATOM 782 CB LEU A1821 0.675 6.238 -39.638 1.00 0.00 C ATOM 783 CG LEU A1821 1.599 5.038 -39.965 1.00 0.00 C ATOM 784 CD1 LEU A1821 2.422 5.348 -41.210 1.00 0.00 C ATOM 785 CD2 LEU A1821 2.537 4.701 -38.802 1.00 0.00 C ATOM 0 H LEU A1821 -1.012 5.090 -40.859 1.00 0.00 H new ATOM 0 HA LEU A1821 -0.481 5.270 -38.042 1.00 0.00 H new ATOM 0 HB2 LEU A1821 0.451 6.774 -40.560 1.00 0.00 H new ATOM 0 HB3 LEU A1821 1.211 6.930 -38.989 1.00 0.00 H new ATOM 0 HG LEU A1821 0.963 4.171 -40.141 1.00 0.00 H new ATOM 0 HD11 LEU A1821 3.071 4.502 -41.437 1.00 0.00 H new ATOM 0 HD12 LEU A1821 1.754 5.529 -42.052 1.00 0.00 H new ATOM 0 HD13 LEU A1821 3.031 6.235 -41.032 1.00 0.00 H new ATOM 0 HD21 LEU A1821 3.166 3.854 -39.076 1.00 0.00 H new ATOM 0 HD22 LEU A1821 3.166 5.563 -38.580 1.00 0.00 H new ATOM 0 HD23 LEU A1821 1.948 4.446 -37.921 1.00 0.00 H new ATOM 797 N SER A1822 -0.990 7.777 -37.486 1.00 0.00 N ATOM 798 CA SER A1822 -1.429 9.136 -37.136 1.00 0.00 C ATOM 799 C SER A1822 -0.432 10.191 -37.638 1.00 0.00 C ATOM 800 O SER A1822 0.695 9.883 -38.036 1.00 0.00 O ATOM 801 CB SER A1822 -1.661 9.253 -35.624 1.00 0.00 C ATOM 802 OG SER A1822 -2.462 10.387 -35.335 1.00 0.00 O ATOM 0 H SER A1822 -0.302 7.396 -36.837 1.00 0.00 H new ATOM 0 HA SER A1822 -2.378 9.328 -37.637 1.00 0.00 H new ATOM 0 HB2 SER A1822 -2.148 8.351 -35.253 1.00 0.00 H new ATOM 0 HB3 SER A1822 -0.704 9.334 -35.108 1.00 0.00 H new ATOM 0 HG SER A1822 -2.604 10.449 -34.367 1.00 0.00 H new ATOM 808 N GLU A1823 -0.853 11.454 -37.665 1.00 0.00 N ATOM 809 CA GLU A1823 -0.007 12.595 -38.046 1.00 0.00 C ATOM 810 C GLU A1823 1.184 12.769 -37.069 1.00 0.00 C ATOM 811 O GLU A1823 1.056 12.441 -35.885 1.00 0.00 O ATOM 812 CB GLU A1823 -0.867 13.874 -38.077 1.00 0.00 C ATOM 813 CG GLU A1823 -1.889 13.869 -39.225 1.00 0.00 C ATOM 814 CD GLU A1823 -2.715 15.167 -39.237 1.00 0.00 C ATOM 815 OE1 GLU A1823 -3.743 15.246 -38.518 1.00 0.00 O ATOM 816 OE2 GLU A1823 -2.342 16.126 -39.963 1.00 0.00 O ATOM 0 H GLU A1823 -1.806 11.723 -37.420 1.00 0.00 H new ATOM 0 HA GLU A1823 0.409 12.406 -39.036 1.00 0.00 H new ATOM 0 HB2 GLU A1823 -1.392 13.978 -37.128 1.00 0.00 H new ATOM 0 HB3 GLU A1823 -0.217 14.743 -38.178 1.00 0.00 H new ATOM 0 HG2 GLU A1823 -1.371 13.755 -40.177 1.00 0.00 H new ATOM 0 HG3 GLU A1823 -2.554 13.012 -39.120 1.00 0.00 H new ATOM 823 N PRO A1824 2.328 13.338 -37.511 1.00 0.00 N ATOM 824 CA PRO A1824 2.621 13.824 -38.868 1.00 0.00 C ATOM 825 C PRO A1824 3.133 12.744 -39.849 1.00 0.00 C ATOM 826 O PRO A1824 3.265 13.023 -41.044 1.00 0.00 O ATOM 827 CB PRO A1824 3.686 14.896 -38.636 1.00 0.00 C ATOM 828 CG PRO A1824 4.510 14.310 -37.492 1.00 0.00 C ATOM 829 CD PRO A1824 3.436 13.663 -36.623 1.00 0.00 C ATOM 0 HA PRO A1824 1.712 14.183 -39.351 1.00 0.00 H new ATOM 0 HB2 PRO A1824 4.292 15.064 -39.526 1.00 0.00 H new ATOM 0 HB3 PRO A1824 3.243 15.855 -38.366 1.00 0.00 H new ATOM 0 HG2 PRO A1824 5.240 13.583 -37.847 1.00 0.00 H new ATOM 0 HG3 PRO A1824 5.063 15.079 -36.952 1.00 0.00 H new ATOM 0 HD2 PRO A1824 3.819 12.766 -36.136 1.00 0.00 H new ATOM 0 HD3 PRO A1824 3.114 14.342 -35.833 1.00 0.00 H new ATOM 837 N LEU A1825 3.416 11.514 -39.388 1.00 0.00 N ATOM 838 CA LEU A1825 3.918 10.412 -40.238 1.00 0.00 C ATOM 839 C LEU A1825 2.885 9.909 -41.272 1.00 0.00 C ATOM 840 O LEU A1825 3.261 9.408 -42.330 1.00 0.00 O ATOM 841 CB LEU A1825 4.397 9.237 -39.358 1.00 0.00 C ATOM 842 CG LEU A1825 5.596 9.544 -38.436 1.00 0.00 C ATOM 843 CD1 LEU A1825 5.940 8.309 -37.605 1.00 0.00 C ATOM 844 CD2 LEU A1825 6.854 9.931 -39.213 1.00 0.00 C ATOM 0 H LEU A1825 3.303 11.251 -38.409 1.00 0.00 H new ATOM 0 HA LEU A1825 4.753 10.821 -40.807 1.00 0.00 H new ATOM 0 HB2 LEU A1825 3.562 8.904 -38.741 1.00 0.00 H new ATOM 0 HB3 LEU A1825 4.665 8.404 -40.008 1.00 0.00 H new ATOM 0 HG LEU A1825 5.294 10.384 -37.810 1.00 0.00 H new ATOM 0 HD11 LEU A1825 6.787 8.531 -36.956 1.00 0.00 H new ATOM 0 HD12 LEU A1825 5.080 8.029 -36.996 1.00 0.00 H new ATOM 0 HD13 LEU A1825 6.198 7.484 -38.269 1.00 0.00 H new ATOM 0 HD21 LEU A1825 7.665 10.136 -38.514 1.00 0.00 H new ATOM 0 HD22 LEU A1825 7.141 9.112 -39.872 1.00 0.00 H new ATOM 0 HD23 LEU A1825 6.654 10.822 -39.808 1.00 0.00 H new ATOM 856 N ARG A1826 1.588 10.072 -40.979 1.00 0.00 N ATOM 857 CA ARG A1826 0.426 9.820 -41.850 1.00 0.00 C ATOM 858 C ARG A1826 0.541 10.497 -43.224 1.00 0.00 C ATOM 859 O ARG A1826 0.761 11.706 -43.312 1.00 0.00 O ATOM 860 CB ARG A1826 -0.813 10.324 -41.082 1.00 0.00 C ATOM 861 CG ARG A1826 -2.171 10.325 -41.786 1.00 0.00 C ATOM 862 CD ARG A1826 -2.560 8.922 -42.266 1.00 0.00 C ATOM 863 NE ARG A1826 -4.001 8.788 -42.563 1.00 0.00 N ATOM 864 CZ ARG A1826 -4.998 8.600 -41.721 1.00 0.00 C ATOM 865 NH1 ARG A1826 -4.831 8.544 -40.428 1.00 0.00 N ATOM 866 NH2 ARG A1826 -6.194 8.438 -42.199 1.00 0.00 N ATOM 0 H ARG A1826 1.299 10.408 -40.060 1.00 0.00 H new ATOM 0 HA ARG A1826 0.358 8.755 -42.071 1.00 0.00 H new ATOM 0 HB2 ARG A1826 -0.910 9.719 -40.180 1.00 0.00 H new ATOM 0 HB3 ARG A1826 -0.608 11.345 -40.760 1.00 0.00 H new ATOM 0 HG2 ARG A1826 -2.934 10.701 -41.105 1.00 0.00 H new ATOM 0 HG3 ARG A1826 -2.140 11.005 -42.637 1.00 0.00 H new ATOM 0 HD2 ARG A1826 -1.987 8.679 -43.161 1.00 0.00 H new ATOM 0 HD3 ARG A1826 -2.283 8.194 -41.503 1.00 0.00 H new ATOM 0 HE ARG A1826 -4.258 8.849 -43.548 1.00 0.00 H new ATOM 0 HH11 ARG A1826 -3.898 8.648 -40.029 1.00 0.00 H new ATOM 0 HH12 ARG A1826 -5.634 8.397 -39.816 1.00 0.00 H new ATOM 0 HH21 ARG A1826 -6.347 8.458 -43.207 1.00 0.00 H new ATOM 0 HH22 ARG A1826 -6.980 8.291 -41.566 1.00 0.00 H new ATOM 880 N ILE A1827 0.278 9.733 -44.287 1.00 0.00 N ATOM 881 CA ILE A1827 0.019 10.215 -45.658 1.00 0.00 C ATOM 882 C ILE A1827 -1.386 9.749 -46.053 1.00 0.00 C ATOM 883 O ILE A1827 -1.583 8.616 -46.493 1.00 0.00 O ATOM 884 CB ILE A1827 1.093 9.768 -46.679 1.00 0.00 C ATOM 885 CG1 ILE A1827 2.539 9.987 -46.187 1.00 0.00 C ATOM 886 CG2 ILE A1827 0.898 10.555 -47.990 1.00 0.00 C ATOM 887 CD1 ILE A1827 3.153 8.729 -45.558 1.00 0.00 C ATOM 0 H ILE A1827 0.237 8.716 -44.219 1.00 0.00 H new ATOM 0 HA ILE A1827 0.075 11.303 -45.671 1.00 0.00 H new ATOM 0 HB ILE A1827 0.960 8.696 -46.825 1.00 0.00 H new ATOM 0 HG12 ILE A1827 3.158 10.307 -47.025 1.00 0.00 H new ATOM 0 HG13 ILE A1827 2.550 10.795 -45.456 1.00 0.00 H new ATOM 0 HG21 ILE A1827 1.651 10.246 -48.715 1.00 0.00 H new ATOM 0 HG22 ILE A1827 -0.096 10.354 -48.391 1.00 0.00 H new ATOM 0 HG23 ILE A1827 1.001 11.622 -47.793 1.00 0.00 H new ATOM 0 HD11 ILE A1827 4.170 8.945 -45.231 1.00 0.00 H new ATOM 0 HD12 ILE A1827 2.554 8.421 -44.701 1.00 0.00 H new ATOM 0 HD13 ILE A1827 3.171 7.926 -46.295 1.00 0.00 H new ATOM 899 N ALA A1828 -2.390 10.595 -45.816 1.00 0.00 N ATOM 900 CA ALA A1828 -3.797 10.250 -46.000 1.00 0.00 C ATOM 901 C ALA A1828 -4.146 9.867 -47.453 1.00 0.00 C ATOM 902 O ALA A1828 -3.703 10.525 -48.396 1.00 0.00 O ATOM 903 CB ALA A1828 -4.658 11.412 -45.491 1.00 0.00 C ATOM 0 H ALA A1828 -2.245 11.550 -45.487 1.00 0.00 H new ATOM 0 HA ALA A1828 -4.008 9.353 -45.418 1.00 0.00 H new ATOM 0 HB1 ALA A1828 -5.712 11.168 -45.622 1.00 0.00 H new ATOM 0 HB2 ALA A1828 -4.453 11.581 -44.434 1.00 0.00 H new ATOM 0 HB3 ALA A1828 -4.421 12.314 -46.055 1.00 0.00 H new ATOM 909 N LYS A1829 -4.949 8.805 -47.638 1.00 0.00 N ATOM 910 CA LYS A1829 -5.400 8.350 -48.973 1.00 0.00 C ATOM 911 C LYS A1829 -6.285 9.408 -49.681 1.00 0.00 C ATOM 912 O LYS A1829 -7.029 10.122 -48.998 1.00 0.00 O ATOM 913 CB LYS A1829 -6.152 7.004 -48.873 1.00 0.00 C ATOM 914 CG LYS A1829 -5.192 5.804 -48.834 1.00 0.00 C ATOM 915 CD LYS A1829 -5.905 4.446 -48.823 1.00 0.00 C ATOM 916 CE LYS A1829 -6.778 4.249 -47.579 1.00 0.00 C ATOM 917 NZ LYS A1829 -7.408 2.904 -47.539 1.00 0.00 N ATOM 0 H LYS A1829 -5.305 8.236 -46.870 1.00 0.00 H new ATOM 0 HA LYS A1829 -4.505 8.209 -49.579 1.00 0.00 H new ATOM 0 HB2 LYS A1829 -6.771 7.001 -47.976 1.00 0.00 H new ATOM 0 HB3 LYS A1829 -6.825 6.901 -49.725 1.00 0.00 H new ATOM 0 HG2 LYS A1829 -4.531 5.850 -49.699 1.00 0.00 H new ATOM 0 HG3 LYS A1829 -4.563 5.882 -47.947 1.00 0.00 H new ATOM 0 HD2 LYS A1829 -6.525 4.358 -49.715 1.00 0.00 H new ATOM 0 HD3 LYS A1829 -5.162 3.649 -48.871 1.00 0.00 H new ATOM 0 HE2 LYS A1829 -6.170 4.390 -46.685 1.00 0.00 H new ATOM 0 HE3 LYS A1829 -7.556 5.013 -47.559 1.00 0.00 H new ATOM 0 HZ1 LYS A1829 -8.092 2.864 -46.757 1.00 0.00 H new ATOM 0 HZ2 LYS A1829 -7.899 2.724 -48.438 1.00 0.00 H new ATOM 0 HZ3 LYS A1829 -6.674 2.181 -47.395 1.00 0.00 H new ATOM 931 N PRO A1830 -6.276 9.482 -51.028 1.00 0.00 N ATOM 932 CA PRO A1830 -5.388 8.752 -51.939 1.00 0.00 C ATOM 933 C PRO A1830 -3.944 9.292 -51.870 1.00 0.00 C ATOM 934 O PRO A1830 -3.706 10.500 -51.936 1.00 0.00 O ATOM 935 CB PRO A1830 -6.001 8.936 -53.332 1.00 0.00 C ATOM 936 CG PRO A1830 -6.701 10.290 -53.240 1.00 0.00 C ATOM 937 CD PRO A1830 -7.179 10.339 -51.785 1.00 0.00 C ATOM 0 HA PRO A1830 -5.312 7.697 -51.674 1.00 0.00 H new ATOM 0 HB2 PRO A1830 -5.237 8.931 -54.110 1.00 0.00 H new ATOM 0 HB3 PRO A1830 -6.703 8.137 -53.570 1.00 0.00 H new ATOM 0 HG2 PRO A1830 -6.021 11.111 -53.468 1.00 0.00 H new ATOM 0 HG3 PRO A1830 -7.534 10.361 -53.940 1.00 0.00 H new ATOM 0 HD2 PRO A1830 -7.158 11.360 -51.403 1.00 0.00 H new ATOM 0 HD3 PRO A1830 -8.208 9.989 -51.702 1.00 0.00 H new ATOM 945 N ASN A1831 -2.979 8.380 -51.725 1.00 0.00 N ATOM 946 CA ASN A1831 -1.548 8.670 -51.496 1.00 0.00 C ATOM 947 C ASN A1831 -0.605 8.027 -52.527 1.00 0.00 C ATOM 948 O ASN A1831 0.607 8.177 -52.403 1.00 0.00 O ATOM 949 CB ASN A1831 -1.177 8.283 -50.050 1.00 0.00 C ATOM 950 CG ASN A1831 -1.469 6.832 -49.696 1.00 0.00 C ATOM 951 OD1 ASN A1831 -1.499 5.947 -50.536 1.00 0.00 O ATOM 952 ND2 ASN A1831 -1.711 6.538 -48.445 1.00 0.00 N ATOM 0 H ASN A1831 -3.173 7.379 -51.764 1.00 0.00 H new ATOM 0 HA ASN A1831 -1.406 9.742 -51.635 1.00 0.00 H new ATOM 0 HB2 ASN A1831 -0.115 8.476 -49.896 1.00 0.00 H new ATOM 0 HB3 ASN A1831 -1.722 8.929 -49.362 1.00 0.00 H new ATOM 0 HD21 ASN A1831 -1.922 5.576 -48.179 1.00 0.00 H new ATOM 0 HD22 ASN A1831 -1.688 7.270 -47.735 1.00 0.00 H new ATOM 959 N GLN A1832 -1.118 7.352 -53.558 1.00 0.00 N ATOM 960 CA GLN A1832 -0.293 6.697 -54.579 1.00 0.00 C ATOM 961 C GLN A1832 0.680 7.669 -55.274 1.00 0.00 C ATOM 962 O GLN A1832 1.851 7.337 -55.450 1.00 0.00 O ATOM 963 CB GLN A1832 -1.179 5.930 -55.575 1.00 0.00 C ATOM 964 CG GLN A1832 -2.139 6.794 -56.418 1.00 0.00 C ATOM 965 CD GLN A1832 -3.088 5.936 -57.246 1.00 0.00 C ATOM 966 OE1 GLN A1832 -4.213 5.659 -56.854 1.00 0.00 O ATOM 967 NE2 GLN A1832 -2.681 5.478 -58.414 1.00 0.00 N ATOM 0 H GLN A1832 -2.121 7.243 -53.710 1.00 0.00 H new ATOM 0 HA GLN A1832 0.343 5.971 -54.074 1.00 0.00 H new ATOM 0 HB2 GLN A1832 -0.533 5.371 -56.252 1.00 0.00 H new ATOM 0 HB3 GLN A1832 -1.768 5.199 -55.021 1.00 0.00 H new ATOM 0 HG2 GLN A1832 -2.716 7.444 -55.761 1.00 0.00 H new ATOM 0 HG3 GLN A1832 -1.562 7.440 -57.079 1.00 0.00 H new ATOM 0 HE21 GLN A1832 -1.745 5.702 -58.752 1.00 0.00 H new ATOM 0 HE22 GLN A1832 -3.302 4.900 -58.980 1.00 0.00 H new ATOM 976 N ILE A1833 0.243 8.892 -55.590 1.00 0.00 N ATOM 977 CA ILE A1833 1.085 9.940 -56.193 1.00 0.00 C ATOM 978 C ILE A1833 2.111 10.472 -55.182 1.00 0.00 C ATOM 979 O ILE A1833 3.286 10.636 -55.515 1.00 0.00 O ATOM 980 CB ILE A1833 0.211 11.077 -56.776 1.00 0.00 C ATOM 981 CG1 ILE A1833 -0.891 10.581 -57.745 1.00 0.00 C ATOM 982 CG2 ILE A1833 1.078 12.139 -57.477 1.00 0.00 C ATOM 983 CD1 ILE A1833 -0.401 9.741 -58.937 1.00 0.00 C ATOM 0 H ILE A1833 -0.720 9.190 -55.433 1.00 0.00 H new ATOM 0 HA ILE A1833 1.644 9.499 -57.018 1.00 0.00 H new ATOM 0 HB ILE A1833 -0.295 11.521 -55.919 1.00 0.00 H new ATOM 0 HG12 ILE A1833 -1.609 9.989 -57.177 1.00 0.00 H new ATOM 0 HG13 ILE A1833 -1.427 11.448 -58.131 1.00 0.00 H new ATOM 0 HG21 ILE A1833 0.438 12.925 -57.877 1.00 0.00 H new ATOM 0 HG22 ILE A1833 1.777 12.570 -56.760 1.00 0.00 H new ATOM 0 HG23 ILE A1833 1.634 11.675 -58.291 1.00 0.00 H new ATOM 0 HD11 ILE A1833 -1.253 9.447 -59.550 1.00 0.00 H new ATOM 0 HD12 ILE A1833 0.291 10.331 -59.538 1.00 0.00 H new ATOM 0 HD13 ILE A1833 0.107 8.849 -58.569 1.00 0.00 H new ATOM 995 N SER A1834 1.689 10.691 -53.935 1.00 0.00 N ATOM 996 CA SER A1834 2.543 11.082 -52.799 1.00 0.00 C ATOM 997 C SER A1834 3.704 10.098 -52.583 1.00 0.00 C ATOM 998 O SER A1834 4.856 10.516 -52.477 1.00 0.00 O ATOM 999 CB SER A1834 1.690 11.186 -51.525 1.00 0.00 C ATOM 1000 OG SER A1834 0.539 11.994 -51.743 1.00 0.00 O ATOM 0 H SER A1834 0.707 10.599 -53.673 1.00 0.00 H new ATOM 0 HA SER A1834 2.982 12.053 -53.029 1.00 0.00 H new ATOM 0 HB2 SER A1834 1.384 10.190 -51.207 1.00 0.00 H new ATOM 0 HB3 SER A1834 2.287 11.609 -50.717 1.00 0.00 H new ATOM 0 HG SER A1834 0.012 12.043 -50.918 1.00 0.00 H new ATOM 1006 N LEU A1835 3.417 8.793 -52.583 1.00 0.00 N ATOM 1007 CA LEU A1835 4.393 7.703 -52.450 1.00 0.00 C ATOM 1008 C LEU A1835 5.298 7.563 -53.689 1.00 0.00 C ATOM 1009 O LEU A1835 6.503 7.363 -53.534 1.00 0.00 O ATOM 1010 CB LEU A1835 3.640 6.398 -52.148 1.00 0.00 C ATOM 1011 CG LEU A1835 2.926 6.400 -50.784 1.00 0.00 C ATOM 1012 CD1 LEU A1835 1.970 5.217 -50.675 1.00 0.00 C ATOM 1013 CD2 LEU A1835 3.909 6.313 -49.620 1.00 0.00 C ATOM 0 H LEU A1835 2.461 8.451 -52.679 1.00 0.00 H new ATOM 0 HA LEU A1835 5.064 7.938 -51.624 1.00 0.00 H new ATOM 0 HB2 LEU A1835 2.905 6.222 -52.933 1.00 0.00 H new ATOM 0 HB3 LEU A1835 4.344 5.567 -52.179 1.00 0.00 H new ATOM 0 HG LEU A1835 2.382 7.343 -50.726 1.00 0.00 H new ATOM 0 HD11 LEU A1835 1.476 5.237 -49.704 1.00 0.00 H new ATOM 0 HD12 LEU A1835 1.221 5.280 -51.465 1.00 0.00 H new ATOM 0 HD13 LEU A1835 2.529 4.287 -50.779 1.00 0.00 H new ATOM 0 HD21 LEU A1835 3.360 6.318 -48.679 1.00 0.00 H new ATOM 0 HD22 LEU A1835 4.486 5.392 -49.699 1.00 0.00 H new ATOM 0 HD23 LEU A1835 4.585 7.168 -49.650 1.00 0.00 H new ATOM 1025 N ILE A1836 4.766 7.744 -54.906 1.00 0.00 N ATOM 1026 CA ILE A1836 5.567 7.808 -56.148 1.00 0.00 C ATOM 1027 C ILE A1836 6.601 8.950 -56.095 1.00 0.00 C ATOM 1028 O ILE A1836 7.715 8.803 -56.604 1.00 0.00 O ATOM 1029 CB ILE A1836 4.633 7.901 -57.387 1.00 0.00 C ATOM 1030 CG1 ILE A1836 4.019 6.506 -57.661 1.00 0.00 C ATOM 1031 CG2 ILE A1836 5.339 8.423 -58.653 1.00 0.00 C ATOM 1032 CD1 ILE A1836 2.818 6.524 -58.620 1.00 0.00 C ATOM 0 H ILE A1836 3.764 7.851 -55.063 1.00 0.00 H new ATOM 0 HA ILE A1836 6.141 6.886 -56.242 1.00 0.00 H new ATOM 0 HB ILE A1836 3.857 8.629 -57.151 1.00 0.00 H new ATOM 0 HG12 ILE A1836 4.791 5.857 -58.075 1.00 0.00 H new ATOM 0 HG13 ILE A1836 3.707 6.066 -56.714 1.00 0.00 H new ATOM 0 HG21 ILE A1836 4.627 8.461 -59.477 1.00 0.00 H new ATOM 0 HG22 ILE A1836 5.731 9.423 -58.465 1.00 0.00 H new ATOM 0 HG23 ILE A1836 6.160 7.755 -58.914 1.00 0.00 H new ATOM 0 HD11 ILE A1836 2.448 5.508 -58.758 1.00 0.00 H new ATOM 0 HD12 ILE A1836 2.026 7.145 -58.200 1.00 0.00 H new ATOM 0 HD13 ILE A1836 3.127 6.932 -59.582 1.00 0.00 H new ATOM 1044 N ASN A1837 6.267 10.077 -55.457 1.00 0.00 N ATOM 1045 CA ASN A1837 7.169 11.216 -55.259 1.00 0.00 C ATOM 1046 C ASN A1837 8.230 11.016 -54.144 1.00 0.00 C ATOM 1047 O ASN A1837 9.173 11.806 -54.073 1.00 0.00 O ATOM 1048 CB ASN A1837 6.328 12.485 -55.021 1.00 0.00 C ATOM 1049 CG ASN A1837 5.870 13.109 -56.329 1.00 0.00 C ATOM 1050 OD1 ASN A1837 6.509 13.993 -56.883 1.00 0.00 O ATOM 1051 ND2 ASN A1837 4.762 12.673 -56.880 1.00 0.00 N ATOM 0 H ASN A1837 5.341 10.226 -55.055 1.00 0.00 H new ATOM 0 HA ASN A1837 7.759 11.317 -56.170 1.00 0.00 H new ATOM 0 HB2 ASN A1837 5.459 12.237 -54.412 1.00 0.00 H new ATOM 0 HB3 ASN A1837 6.915 13.210 -54.458 1.00 0.00 H new ATOM 0 HD21 ASN A1837 4.440 13.071 -57.762 1.00 0.00 H new ATOM 0 HD22 ASN A1837 4.222 11.936 -56.426 1.00 0.00 H new ATOM 1058 N MET A1838 8.124 9.977 -53.303 1.00 0.00 N ATOM 1059 CA MET A1838 9.186 9.564 -52.366 1.00 0.00 C ATOM 1060 C MET A1838 10.281 8.722 -53.061 1.00 0.00 C ATOM 1061 O MET A1838 10.182 8.368 -54.239 1.00 0.00 O ATOM 1062 CB MET A1838 8.595 8.764 -51.189 1.00 0.00 C ATOM 1063 CG MET A1838 7.560 9.537 -50.375 1.00 0.00 C ATOM 1064 SD MET A1838 7.099 8.682 -48.849 1.00 0.00 S ATOM 1065 CE MET A1838 5.712 9.713 -48.325 1.00 0.00 C ATOM 0 H MET A1838 7.290 9.392 -53.252 1.00 0.00 H new ATOM 0 HA MET A1838 9.647 10.478 -51.992 1.00 0.00 H new ATOM 0 HB2 MET A1838 8.134 7.855 -51.575 1.00 0.00 H new ATOM 0 HB3 MET A1838 9.405 8.455 -50.529 1.00 0.00 H new ATOM 0 HG2 MET A1838 7.957 10.522 -50.130 1.00 0.00 H new ATOM 0 HG3 MET A1838 6.669 9.695 -50.983 1.00 0.00 H new ATOM 0 HE1 MET A1838 5.303 9.326 -47.391 1.00 0.00 H new ATOM 0 HE2 MET A1838 6.056 10.736 -48.174 1.00 0.00 H new ATOM 0 HE3 MET A1838 4.938 9.700 -49.093 1.00 0.00 H new ATOM 1075 N ASP A1839 11.318 8.361 -52.300 1.00 0.00 N ATOM 1076 CA ASP A1839 12.395 7.440 -52.688 1.00 0.00 C ATOM 1077 C ASP A1839 12.362 6.172 -51.813 1.00 0.00 C ATOM 1078 O ASP A1839 12.996 6.104 -50.756 1.00 0.00 O ATOM 1079 CB ASP A1839 13.745 8.173 -52.637 1.00 0.00 C ATOM 1080 CG ASP A1839 14.928 7.270 -53.032 1.00 0.00 C ATOM 1081 OD1 ASP A1839 14.783 6.441 -53.963 1.00 0.00 O ATOM 1082 OD2 ASP A1839 16.022 7.412 -52.429 1.00 0.00 O ATOM 0 H ASP A1839 11.437 8.718 -51.352 1.00 0.00 H new ATOM 0 HA ASP A1839 12.248 7.106 -53.715 1.00 0.00 H new ATOM 0 HB2 ASP A1839 13.712 9.034 -53.305 1.00 0.00 H new ATOM 0 HB3 ASP A1839 13.907 8.557 -51.630 1.00 0.00 H new ATOM 1087 N LEU A1840 11.564 5.186 -52.237 1.00 0.00 N ATOM 1088 CA LEU A1840 11.269 3.945 -51.506 1.00 0.00 C ATOM 1089 C LEU A1840 11.984 2.740 -52.169 1.00 0.00 C ATOM 1090 O LEU A1840 11.634 2.376 -53.298 1.00 0.00 O ATOM 1091 CB LEU A1840 9.739 3.746 -51.431 1.00 0.00 C ATOM 1092 CG LEU A1840 8.998 4.811 -50.593 1.00 0.00 C ATOM 1093 CD1 LEU A1840 7.494 4.739 -50.849 1.00 0.00 C ATOM 1094 CD2 LEU A1840 9.227 4.610 -49.092 1.00 0.00 C ATOM 0 H LEU A1840 11.085 5.231 -53.136 1.00 0.00 H new ATOM 0 HA LEU A1840 11.651 4.017 -50.488 1.00 0.00 H new ATOM 0 HB2 LEU A1840 9.334 3.751 -52.443 1.00 0.00 H new ATOM 0 HB3 LEU A1840 9.533 2.762 -51.010 1.00 0.00 H new ATOM 0 HG LEU A1840 9.395 5.780 -50.894 1.00 0.00 H new ATOM 0 HD11 LEU A1840 6.986 5.496 -50.251 1.00 0.00 H new ATOM 0 HD12 LEU A1840 7.296 4.918 -51.906 1.00 0.00 H new ATOM 0 HD13 LEU A1840 7.125 3.751 -50.573 1.00 0.00 H new ATOM 0 HD21 LEU A1840 8.690 5.378 -48.536 1.00 0.00 H new ATOM 0 HD22 LEU A1840 8.862 3.626 -48.797 1.00 0.00 H new ATOM 0 HD23 LEU A1840 10.292 4.682 -48.874 1.00 0.00 H new ATOM 1106 N PRO A1841 13.014 2.146 -51.531 1.00 0.00 N ATOM 1107 CA PRO A1841 13.870 1.115 -52.120 1.00 0.00 C ATOM 1108 C PRO A1841 13.162 -0.245 -52.226 1.00 0.00 C ATOM 1109 O PRO A1841 13.021 -0.975 -51.240 1.00 0.00 O ATOM 1110 CB PRO A1841 15.110 1.056 -51.218 1.00 0.00 C ATOM 1111 CG PRO A1841 14.569 1.464 -49.848 1.00 0.00 C ATOM 1112 CD PRO A1841 13.482 2.481 -50.197 1.00 0.00 C ATOM 0 HA PRO A1841 14.135 1.360 -53.149 1.00 0.00 H new ATOM 0 HB2 PRO A1841 15.545 0.057 -51.197 1.00 0.00 H new ATOM 0 HB3 PRO A1841 15.890 1.736 -51.561 1.00 0.00 H new ATOM 0 HG2 PRO A1841 14.164 0.611 -49.304 1.00 0.00 H new ATOM 0 HG3 PRO A1841 15.346 1.902 -49.221 1.00 0.00 H new ATOM 0 HD2 PRO A1841 12.665 2.437 -49.477 1.00 0.00 H new ATOM 0 HD3 PRO A1841 13.878 3.496 -50.169 1.00 0.00 H new ATOM 1120 N MET A1842 12.724 -0.604 -53.434 1.00 0.00 N ATOM 1121 CA MET A1842 12.154 -1.922 -53.744 1.00 0.00 C ATOM 1122 C MET A1842 13.229 -3.023 -53.758 1.00 0.00 C ATOM 1123 O MET A1842 13.877 -3.256 -54.779 1.00 0.00 O ATOM 1124 CB MET A1842 11.362 -1.870 -55.060 1.00 0.00 C ATOM 1125 CG MET A1842 10.104 -1.008 -54.919 1.00 0.00 C ATOM 1126 SD MET A1842 9.115 -0.896 -56.433 1.00 0.00 S ATOM 1127 CE MET A1842 7.750 0.123 -55.820 1.00 0.00 C ATOM 0 H MET A1842 12.755 0.021 -54.239 1.00 0.00 H new ATOM 0 HA MET A1842 11.458 -2.185 -52.947 1.00 0.00 H new ATOM 0 HB2 MET A1842 11.994 -1.468 -55.852 1.00 0.00 H new ATOM 0 HB3 MET A1842 11.082 -2.880 -55.358 1.00 0.00 H new ATOM 0 HG2 MET A1842 9.484 -1.416 -54.121 1.00 0.00 H new ATOM 0 HG3 MET A1842 10.396 -0.004 -54.613 1.00 0.00 H new ATOM 0 HE1 MET A1842 6.807 -0.401 -55.974 1.00 0.00 H new ATOM 0 HE2 MET A1842 7.889 0.315 -54.756 1.00 0.00 H new ATOM 0 HE3 MET A1842 7.732 1.070 -56.360 1.00 0.00 H new ATOM 1137 N VAL A1843 13.437 -3.709 -52.631 1.00 0.00 N ATOM 1138 CA VAL A1843 14.507 -4.711 -52.422 1.00 0.00 C ATOM 1139 C VAL A1843 14.369 -5.959 -53.304 1.00 0.00 C ATOM 1140 O VAL A1843 15.373 -6.591 -53.633 1.00 0.00 O ATOM 1141 CB VAL A1843 14.630 -5.129 -50.941 1.00 0.00 C ATOM 1142 CG1 VAL A1843 14.975 -3.922 -50.056 1.00 0.00 C ATOM 1143 CG2 VAL A1843 13.385 -5.810 -50.361 1.00 0.00 C ATOM 0 H VAL A1843 12.850 -3.584 -51.806 1.00 0.00 H new ATOM 0 HA VAL A1843 15.422 -4.202 -52.726 1.00 0.00 H new ATOM 0 HB VAL A1843 15.433 -5.866 -50.935 1.00 0.00 H new ATOM 0 HG11 VAL A1843 15.056 -4.243 -49.018 1.00 0.00 H new ATOM 0 HG12 VAL A1843 15.924 -3.494 -50.378 1.00 0.00 H new ATOM 0 HG13 VAL A1843 14.190 -3.171 -50.143 1.00 0.00 H new ATOM 0 HG21 VAL A1843 13.564 -6.068 -49.317 1.00 0.00 H new ATOM 0 HG22 VAL A1843 12.535 -5.131 -50.426 1.00 0.00 H new ATOM 0 HG23 VAL A1843 13.169 -6.716 -50.927 1.00 0.00 H new ATOM 1153 N SER A1844 13.148 -6.294 -53.726 1.00 0.00 N ATOM 1154 CA SER A1844 12.804 -7.429 -54.609 1.00 0.00 C ATOM 1155 C SER A1844 12.261 -7.005 -55.981 1.00 0.00 C ATOM 1156 O SER A1844 12.032 -7.849 -56.851 1.00 0.00 O ATOM 1157 CB SER A1844 11.751 -8.294 -53.910 1.00 0.00 C ATOM 1158 OG SER A1844 10.560 -7.539 -53.736 1.00 0.00 O ATOM 0 H SER A1844 12.325 -5.758 -53.451 1.00 0.00 H new ATOM 0 HA SER A1844 13.729 -7.977 -54.792 1.00 0.00 H new ATOM 0 HB2 SER A1844 11.546 -9.186 -54.502 1.00 0.00 H new ATOM 0 HB3 SER A1844 12.125 -8.632 -52.944 1.00 0.00 H new ATOM 0 HG SER A1844 9.884 -8.092 -53.290 1.00 0.00 H new ATOM 1164 N GLY A1845 12.031 -5.702 -56.173 1.00 0.00 N ATOM 1165 CA GLY A1845 11.235 -5.127 -57.257 1.00 0.00 C ATOM 1166 C GLY A1845 9.751 -4.914 -56.898 1.00 0.00 C ATOM 1167 O GLY A1845 9.035 -4.281 -57.676 1.00 0.00 O ATOM 0 H GLY A1845 12.412 -4.991 -55.549 1.00 0.00 H new ATOM 0 HA2 GLY A1845 11.670 -4.170 -57.545 1.00 0.00 H new ATOM 0 HA3 GLY A1845 11.298 -5.781 -58.127 1.00 0.00 H new ATOM 1171 N ASP A1846 9.282 -5.405 -55.745 1.00 0.00 N ATOM 1172 CA ASP A1846 7.894 -5.221 -55.277 1.00 0.00 C ATOM 1173 C ASP A1846 7.692 -5.113 -53.744 1.00 0.00 C ATOM 1174 O ASP A1846 6.616 -4.676 -53.313 1.00 0.00 O ATOM 1175 CB ASP A1846 6.985 -6.300 -55.891 1.00 0.00 C ATOM 1176 CG ASP A1846 7.420 -7.744 -55.585 1.00 0.00 C ATOM 1177 OD1 ASP A1846 7.105 -8.254 -54.485 1.00 0.00 O ATOM 1178 OD2 ASP A1846 8.052 -8.392 -56.458 1.00 0.00 O ATOM 0 H ASP A1846 9.857 -5.947 -55.101 1.00 0.00 H new ATOM 0 HA ASP A1846 7.607 -4.232 -55.634 1.00 0.00 H new ATOM 0 HB2 ASP A1846 5.969 -6.154 -55.525 1.00 0.00 H new ATOM 0 HB3 ASP A1846 6.957 -6.163 -56.972 1.00 0.00 H new ATOM 1183 N ARG A1847 8.708 -5.415 -52.912 1.00 0.00 N ATOM 1184 CA ARG A1847 8.701 -5.205 -51.441 1.00 0.00 C ATOM 1185 C ARG A1847 9.746 -4.179 -51.001 1.00 0.00 C ATOM 1186 O ARG A1847 10.756 -3.995 -51.673 1.00 0.00 O ATOM 1187 CB ARG A1847 8.909 -6.529 -50.674 1.00 0.00 C ATOM 1188 CG ARG A1847 7.769 -7.526 -50.898 1.00 0.00 C ATOM 1189 CD ARG A1847 7.917 -8.831 -50.100 1.00 0.00 C ATOM 1190 NE ARG A1847 7.540 -8.680 -48.678 1.00 0.00 N ATOM 1191 CZ ARG A1847 7.132 -9.647 -47.871 1.00 0.00 C ATOM 1192 NH1 ARG A1847 7.051 -10.894 -48.236 1.00 0.00 N ATOM 1193 NH2 ARG A1847 6.782 -9.421 -46.645 1.00 0.00 N ATOM 0 H ARG A1847 9.581 -5.822 -53.248 1.00 0.00 H new ATOM 0 HA ARG A1847 7.715 -4.812 -51.195 1.00 0.00 H new ATOM 0 HB2 ARG A1847 9.849 -6.982 -50.988 1.00 0.00 H new ATOM 0 HB3 ARG A1847 8.997 -6.317 -49.608 1.00 0.00 H new ATOM 0 HG2 ARG A1847 6.826 -7.051 -50.627 1.00 0.00 H new ATOM 0 HG3 ARG A1847 7.712 -7.765 -51.960 1.00 0.00 H new ATOM 0 HD2 ARG A1847 7.296 -9.602 -50.556 1.00 0.00 H new ATOM 0 HD3 ARG A1847 8.950 -9.175 -50.163 1.00 0.00 H new ATOM 0 HE ARG A1847 7.600 -7.742 -48.281 1.00 0.00 H new ATOM 0 HH11 ARG A1847 7.309 -11.165 -49.185 1.00 0.00 H new ATOM 0 HH12 ARG A1847 6.730 -11.600 -47.573 1.00 0.00 H new ATOM 0 HH21 ARG A1847 6.815 -8.472 -46.272 1.00 0.00 H new ATOM 0 HH22 ARG A1847 6.473 -10.192 -46.053 1.00 0.00 H new ATOM 1207 N ILE A1848 9.508 -3.520 -49.866 1.00 0.00 N ATOM 1208 CA ILE A1848 10.234 -2.336 -49.381 1.00 0.00 C ATOM 1209 C ILE A1848 10.534 -2.476 -47.877 1.00 0.00 C ATOM 1210 O ILE A1848 9.677 -2.920 -47.106 1.00 0.00 O ATOM 1211 CB ILE A1848 9.417 -1.047 -49.669 1.00 0.00 C ATOM 1212 CG1 ILE A1848 8.931 -0.913 -51.133 1.00 0.00 C ATOM 1213 CG2 ILE A1848 10.244 0.214 -49.351 1.00 0.00 C ATOM 1214 CD1 ILE A1848 7.545 -1.528 -51.385 1.00 0.00 C ATOM 0 H ILE A1848 8.768 -3.808 -49.226 1.00 0.00 H new ATOM 0 HA ILE A1848 11.183 -2.260 -49.912 1.00 0.00 H new ATOM 0 HB ILE A1848 8.543 -1.134 -49.023 1.00 0.00 H new ATOM 0 HG12 ILE A1848 8.904 0.143 -51.402 1.00 0.00 H new ATOM 0 HG13 ILE A1848 9.656 -1.391 -51.792 1.00 0.00 H new ATOM 0 HG21 ILE A1848 9.648 1.102 -49.561 1.00 0.00 H new ATOM 0 HG22 ILE A1848 10.527 0.208 -48.298 1.00 0.00 H new ATOM 0 HG23 ILE A1848 11.143 0.225 -49.968 1.00 0.00 H new ATOM 0 HD11 ILE A1848 7.273 -1.395 -52.432 1.00 0.00 H new ATOM 0 HD12 ILE A1848 7.571 -2.592 -51.149 1.00 0.00 H new ATOM 0 HD13 ILE A1848 6.807 -1.034 -50.753 1.00 0.00 H new ATOM 1226 N HIS A1849 11.746 -2.114 -47.452 1.00 0.00 N ATOM 1227 CA HIS A1849 12.269 -2.265 -46.086 1.00 0.00 C ATOM 1228 C HIS A1849 11.682 -1.270 -45.057 1.00 0.00 C ATOM 1229 O HIS A1849 11.611 -0.066 -45.309 1.00 0.00 O ATOM 1230 CB HIS A1849 13.793 -2.118 -46.158 1.00 0.00 C ATOM 1231 CG HIS A1849 14.511 -2.322 -44.849 1.00 0.00 C ATOM 1232 ND1 HIS A1849 15.433 -1.455 -44.315 1.00 0.00 N ATOM 1233 CD2 HIS A1849 14.396 -3.389 -43.998 1.00 0.00 C ATOM 1234 CE1 HIS A1849 15.876 -1.983 -43.159 1.00 0.00 C ATOM 1235 NE2 HIS A1849 15.264 -3.160 -42.921 1.00 0.00 N ATOM 0 H HIS A1849 12.426 -1.686 -48.080 1.00 0.00 H new ATOM 0 HA HIS A1849 11.967 -3.247 -45.723 1.00 0.00 H new ATOM 0 HB2 HIS A1849 14.179 -2.834 -46.883 1.00 0.00 H new ATOM 0 HB3 HIS A1849 14.030 -1.123 -46.535 1.00 0.00 H new ATOM 0 HD1 HIS A1849 15.729 -0.568 -44.722 1.00 0.00 H new ATOM 0 HD2 HIS A1849 13.755 -4.248 -44.132 1.00 0.00 H new ATOM 0 HE1 HIS A1849 16.615 -1.529 -42.515 1.00 0.00 H new ATOM 1243 N CYS A1850 11.356 -1.768 -43.856 1.00 0.00 N ATOM 1244 CA CYS A1850 10.789 -1.049 -42.711 1.00 0.00 C ATOM 1245 C CYS A1850 11.476 0.296 -42.387 1.00 0.00 C ATOM 1246 O CYS A1850 10.832 1.348 -42.440 1.00 0.00 O ATOM 1247 CB CYS A1850 10.824 -2.015 -41.511 1.00 0.00 C ATOM 1248 SG CYS A1850 10.002 -1.276 -40.069 1.00 0.00 S ATOM 0 H CYS A1850 11.493 -2.757 -43.646 1.00 0.00 H new ATOM 0 HA CYS A1850 9.769 -0.755 -42.959 1.00 0.00 H new ATOM 0 HB2 CYS A1850 10.332 -2.951 -41.776 1.00 0.00 H new ATOM 0 HB3 CYS A1850 11.857 -2.257 -41.263 1.00 0.00 H new ATOM 0 HG CYS A1850 8.729 -1.536 -40.115 1.00 0.00 H new ATOM 1254 N MET A1851 12.775 0.279 -42.066 1.00 0.00 N ATOM 1255 CA MET A1851 13.510 1.493 -41.682 1.00 0.00 C ATOM 1256 C MET A1851 13.636 2.516 -42.816 1.00 0.00 C ATOM 1257 O MET A1851 13.675 3.717 -42.547 1.00 0.00 O ATOM 1258 CB MET A1851 14.909 1.143 -41.149 1.00 0.00 C ATOM 1259 CG MET A1851 14.864 0.580 -39.721 1.00 0.00 C ATOM 1260 SD MET A1851 14.100 1.641 -38.454 1.00 0.00 S ATOM 1261 CE MET A1851 15.018 3.194 -38.669 1.00 0.00 C ATOM 0 H MET A1851 13.343 -0.568 -42.064 1.00 0.00 H new ATOM 0 HA MET A1851 12.917 1.958 -40.894 1.00 0.00 H new ATOM 0 HB2 MET A1851 15.375 0.413 -41.811 1.00 0.00 H new ATOM 0 HB3 MET A1851 15.536 2.035 -41.166 1.00 0.00 H new ATOM 0 HG2 MET A1851 14.324 -0.367 -39.744 1.00 0.00 H new ATOM 0 HG3 MET A1851 15.885 0.357 -39.410 1.00 0.00 H new ATOM 0 HE1 MET A1851 14.756 3.886 -37.868 1.00 0.00 H new ATOM 0 HE2 MET A1851 16.089 2.991 -38.637 1.00 0.00 H new ATOM 0 HE3 MET A1851 14.761 3.638 -39.631 1.00 0.00 H new ATOM 1271 N ASP A1852 13.679 2.089 -44.078 1.00 0.00 N ATOM 1272 CA ASP A1852 13.740 3.012 -45.220 1.00 0.00 C ATOM 1273 C ASP A1852 12.389 3.685 -45.507 1.00 0.00 C ATOM 1274 O ASP A1852 12.351 4.854 -45.893 1.00 0.00 O ATOM 1275 CB ASP A1852 14.269 2.278 -46.456 1.00 0.00 C ATOM 1276 CG ASP A1852 15.762 1.944 -46.295 1.00 0.00 C ATOM 1277 OD1 ASP A1852 16.089 0.858 -45.759 1.00 0.00 O ATOM 1278 OD2 ASP A1852 16.613 2.770 -46.703 1.00 0.00 O ATOM 0 H ASP A1852 13.673 1.103 -44.340 1.00 0.00 H new ATOM 0 HA ASP A1852 14.430 3.815 -44.960 1.00 0.00 H new ATOM 0 HB2 ASP A1852 13.701 1.361 -46.611 1.00 0.00 H new ATOM 0 HB3 ASP A1852 14.123 2.896 -47.342 1.00 0.00 H new ATOM 1283 N ILE A1853 11.270 2.996 -45.250 1.00 0.00 N ATOM 1284 CA ILE A1853 9.927 3.593 -45.237 1.00 0.00 C ATOM 1285 C ILE A1853 9.832 4.639 -44.120 1.00 0.00 C ATOM 1286 O ILE A1853 9.422 5.773 -44.376 1.00 0.00 O ATOM 1287 CB ILE A1853 8.828 2.511 -45.101 1.00 0.00 C ATOM 1288 CG1 ILE A1853 8.877 1.549 -46.306 1.00 0.00 C ATOM 1289 CG2 ILE A1853 7.428 3.147 -45.027 1.00 0.00 C ATOM 1290 CD1 ILE A1853 8.175 0.208 -46.050 1.00 0.00 C ATOM 0 H ILE A1853 11.271 1.997 -45.043 1.00 0.00 H new ATOM 0 HA ILE A1853 9.759 4.093 -46.191 1.00 0.00 H new ATOM 0 HB ILE A1853 9.017 1.962 -44.178 1.00 0.00 H new ATOM 0 HG12 ILE A1853 8.415 2.033 -47.166 1.00 0.00 H new ATOM 0 HG13 ILE A1853 9.918 1.361 -46.568 1.00 0.00 H new ATOM 0 HG21 ILE A1853 6.677 2.363 -44.932 1.00 0.00 H new ATOM 0 HG22 ILE A1853 7.374 3.808 -44.162 1.00 0.00 H new ATOM 0 HG23 ILE A1853 7.241 3.721 -45.935 1.00 0.00 H new ATOM 0 HD11 ILE A1853 8.249 -0.417 -46.940 1.00 0.00 H new ATOM 0 HD12 ILE A1853 8.652 -0.298 -45.210 1.00 0.00 H new ATOM 0 HD13 ILE A1853 7.125 0.386 -45.818 1.00 0.00 H new ATOM 1302 N LEU A1854 10.263 4.302 -42.894 1.00 0.00 N ATOM 1303 CA LEU A1854 10.339 5.260 -41.784 1.00 0.00 C ATOM 1304 C LEU A1854 11.204 6.479 -42.146 1.00 0.00 C ATOM 1305 O LEU A1854 10.796 7.609 -41.897 1.00 0.00 O ATOM 1306 CB LEU A1854 10.824 4.558 -40.500 1.00 0.00 C ATOM 1307 CG LEU A1854 10.921 5.486 -39.272 1.00 0.00 C ATOM 1308 CD1 LEU A1854 9.585 6.121 -38.877 1.00 0.00 C ATOM 1309 CD2 LEU A1854 11.425 4.693 -38.066 1.00 0.00 C ATOM 0 H LEU A1854 10.567 3.360 -42.647 1.00 0.00 H new ATOM 0 HA LEU A1854 9.337 5.643 -41.591 1.00 0.00 H new ATOM 0 HB2 LEU A1854 10.145 3.737 -40.269 1.00 0.00 H new ATOM 0 HB3 LEU A1854 11.803 4.118 -40.687 1.00 0.00 H new ATOM 0 HG LEU A1854 11.607 6.285 -39.556 1.00 0.00 H new ATOM 0 HD11 LEU A1854 9.729 6.760 -38.006 1.00 0.00 H new ATOM 0 HD12 LEU A1854 9.206 6.718 -39.707 1.00 0.00 H new ATOM 0 HD13 LEU A1854 8.867 5.337 -38.636 1.00 0.00 H new ATOM 0 HD21 LEU A1854 11.492 5.351 -37.200 1.00 0.00 H new ATOM 0 HD22 LEU A1854 10.732 3.879 -37.850 1.00 0.00 H new ATOM 0 HD23 LEU A1854 12.410 4.282 -38.287 1.00 0.00 H new ATOM 1321 N PHE A1855 12.363 6.269 -42.772 1.00 0.00 N ATOM 1322 CA PHE A1855 13.252 7.334 -43.243 1.00 0.00 C ATOM 1323 C PHE A1855 12.565 8.253 -44.272 1.00 0.00 C ATOM 1324 O PHE A1855 12.607 9.476 -44.134 1.00 0.00 O ATOM 1325 CB PHE A1855 14.544 6.700 -43.791 1.00 0.00 C ATOM 1326 CG PHE A1855 15.704 7.646 -44.044 1.00 0.00 C ATOM 1327 CD1 PHE A1855 16.193 8.462 -43.003 1.00 0.00 C ATOM 1328 CD2 PHE A1855 16.361 7.638 -45.290 1.00 0.00 C ATOM 1329 CE1 PHE A1855 17.319 9.279 -43.212 1.00 0.00 C ATOM 1330 CE2 PHE A1855 17.497 8.443 -45.490 1.00 0.00 C ATOM 1331 CZ PHE A1855 17.975 9.264 -44.454 1.00 0.00 C ATOM 0 H PHE A1855 12.718 5.334 -42.970 1.00 0.00 H new ATOM 0 HA PHE A1855 13.507 7.982 -42.404 1.00 0.00 H new ATOM 0 HB2 PHE A1855 14.874 5.935 -43.088 1.00 0.00 H new ATOM 0 HB3 PHE A1855 14.306 6.193 -44.726 1.00 0.00 H new ATOM 0 HD1 PHE A1855 15.701 8.460 -42.042 1.00 0.00 H new ATOM 0 HD2 PHE A1855 15.993 7.014 -46.091 1.00 0.00 H new ATOM 0 HE1 PHE A1855 17.679 9.917 -42.418 1.00 0.00 H new ATOM 0 HE2 PHE A1855 18.004 8.430 -46.443 1.00 0.00 H new ATOM 0 HZ PHE A1855 18.846 9.883 -44.613 1.00 0.00 H new ATOM 1341 N ALA A1856 11.860 7.698 -45.261 1.00 0.00 N ATOM 1342 CA ALA A1856 11.085 8.468 -46.241 1.00 0.00 C ATOM 1343 C ALA A1856 9.911 9.258 -45.615 1.00 0.00 C ATOM 1344 O ALA A1856 9.642 10.395 -46.023 1.00 0.00 O ATOM 1345 CB ALA A1856 10.588 7.503 -47.326 1.00 0.00 C ATOM 0 H ALA A1856 11.810 6.690 -45.407 1.00 0.00 H new ATOM 0 HA ALA A1856 11.739 9.226 -46.672 1.00 0.00 H new ATOM 0 HB1 ALA A1856 10.009 8.055 -48.066 1.00 0.00 H new ATOM 0 HB2 ALA A1856 11.442 7.031 -47.812 1.00 0.00 H new ATOM 0 HB3 ALA A1856 9.960 6.737 -46.871 1.00 0.00 H new ATOM 1351 N PHE A1857 9.223 8.687 -44.620 1.00 0.00 N ATOM 1352 CA PHE A1857 8.086 9.309 -43.925 1.00 0.00 C ATOM 1353 C PHE A1857 8.542 10.397 -42.932 1.00 0.00 C ATOM 1354 O PHE A1857 7.953 11.474 -42.895 1.00 0.00 O ATOM 1355 CB PHE A1857 7.249 8.235 -43.203 1.00 0.00 C ATOM 1356 CG PHE A1857 6.424 7.264 -44.050 1.00 0.00 C ATOM 1357 CD1 PHE A1857 6.562 7.163 -45.454 1.00 0.00 C ATOM 1358 CD2 PHE A1857 5.474 6.442 -43.409 1.00 0.00 C ATOM 1359 CE1 PHE A1857 5.787 6.248 -46.190 1.00 0.00 C ATOM 1360 CE2 PHE A1857 4.693 5.523 -44.141 1.00 0.00 C ATOM 1361 CZ PHE A1857 4.851 5.425 -45.536 1.00 0.00 C ATOM 0 H PHE A1857 9.445 7.757 -44.266 1.00 0.00 H new ATOM 0 HA PHE A1857 7.467 9.797 -44.678 1.00 0.00 H new ATOM 0 HB2 PHE A1857 7.927 7.644 -42.587 1.00 0.00 H new ATOM 0 HB3 PHE A1857 6.566 8.747 -42.525 1.00 0.00 H new ATOM 0 HD1 PHE A1857 7.271 7.796 -45.967 1.00 0.00 H new ATOM 0 HD2 PHE A1857 5.342 6.517 -42.340 1.00 0.00 H new ATOM 0 HE1 PHE A1857 5.911 6.177 -47.261 1.00 0.00 H new ATOM 0 HE2 PHE A1857 3.976 4.896 -43.632 1.00 0.00 H new ATOM 0 HZ PHE A1857 4.257 4.722 -46.102 1.00 0.00 H new ATOM 1371 N THR A1858 9.617 10.173 -42.169 1.00 0.00 N ATOM 1372 CA THR A1858 10.236 11.202 -41.301 1.00 0.00 C ATOM 1373 C THR A1858 10.832 12.353 -42.112 1.00 0.00 C ATOM 1374 O THR A1858 10.653 13.509 -41.730 1.00 0.00 O ATOM 1375 CB THR A1858 11.311 10.638 -40.350 1.00 0.00 C ATOM 1376 OG1 THR A1858 12.283 9.903 -41.045 1.00 0.00 O ATOM 1377 CG2 THR A1858 10.707 9.726 -39.286 1.00 0.00 C ATOM 0 H THR A1858 10.091 9.271 -42.130 1.00 0.00 H new ATOM 0 HA THR A1858 9.416 11.579 -40.689 1.00 0.00 H new ATOM 0 HB THR A1858 11.770 11.505 -39.874 1.00 0.00 H new ATOM 0 HG1 THR A1858 11.892 9.062 -41.362 1.00 0.00 H new ATOM 0 HG21 THR A1858 11.498 9.350 -38.637 1.00 0.00 H new ATOM 0 HG22 THR A1858 9.986 10.288 -38.692 1.00 0.00 H new ATOM 0 HG23 THR A1858 10.204 8.888 -39.768 1.00 0.00 H new ATOM 1385 N LYS A1859 11.440 12.092 -43.281 1.00 0.00 N ATOM 1386 CA LYS A1859 11.823 13.129 -44.258 1.00 0.00 C ATOM 1387 C LYS A1859 10.652 14.010 -44.699 1.00 0.00 C ATOM 1388 O LYS A1859 10.843 15.212 -44.882 1.00 0.00 O ATOM 1389 CB LYS A1859 12.482 12.483 -45.491 1.00 0.00 C ATOM 1390 CG LYS A1859 13.987 12.281 -45.285 1.00 0.00 C ATOM 1391 CD LYS A1859 14.613 11.649 -46.539 1.00 0.00 C ATOM 1392 CE LYS A1859 16.136 11.594 -46.390 1.00 0.00 C ATOM 1393 NZ LYS A1859 16.790 11.088 -47.627 1.00 0.00 N ATOM 0 H LYS A1859 11.682 11.147 -43.579 1.00 0.00 H new ATOM 0 HA LYS A1859 12.534 13.780 -43.750 1.00 0.00 H new ATOM 0 HB2 LYS A1859 12.010 11.522 -45.695 1.00 0.00 H new ATOM 0 HB3 LYS A1859 12.315 13.112 -46.365 1.00 0.00 H new ATOM 0 HG2 LYS A1859 14.464 13.238 -45.074 1.00 0.00 H new ATOM 0 HG3 LYS A1859 14.161 11.640 -44.420 1.00 0.00 H new ATOM 0 HD2 LYS A1859 14.217 10.644 -46.687 1.00 0.00 H new ATOM 0 HD3 LYS A1859 14.346 12.230 -47.422 1.00 0.00 H new ATOM 0 HE2 LYS A1859 16.516 12.589 -46.158 1.00 0.00 H new ATOM 0 HE3 LYS A1859 16.397 10.950 -45.550 1.00 0.00 H new ATOM 0 HZ1 LYS A1859 17.224 10.163 -47.436 1.00 0.00 H new ATOM 0 HZ2 LYS A1859 16.079 10.988 -48.380 1.00 0.00 H new ATOM 0 HZ3 LYS A1859 17.524 11.759 -47.931 1.00 0.00 H new ATOM 1407 N ARG A1860 9.443 13.447 -44.808 1.00 0.00 N ATOM 1408 CA ARG A1860 8.181 14.163 -45.100 1.00 0.00 C ATOM 1409 C ARG A1860 7.807 15.181 -44.009 1.00 0.00 C ATOM 1410 O ARG A1860 7.307 16.264 -44.321 1.00 0.00 O ATOM 1411 CB ARG A1860 7.057 13.130 -45.329 1.00 0.00 C ATOM 1412 CG ARG A1860 6.205 13.345 -46.587 1.00 0.00 C ATOM 1413 CD ARG A1860 7.012 13.463 -47.892 1.00 0.00 C ATOM 1414 NE ARG A1860 8.182 12.559 -47.927 1.00 0.00 N ATOM 1415 CZ ARG A1860 9.296 12.739 -48.608 1.00 0.00 C ATOM 1416 NH1 ARG A1860 9.433 13.658 -49.515 1.00 0.00 N ATOM 1417 NH2 ARG A1860 10.333 11.995 -48.380 1.00 0.00 N ATOM 0 H ARG A1860 9.304 12.443 -44.692 1.00 0.00 H new ATOM 0 HA ARG A1860 8.323 14.751 -46.007 1.00 0.00 H new ATOM 0 HB2 ARG A1860 7.505 12.138 -45.381 1.00 0.00 H new ATOM 0 HB3 ARG A1860 6.399 13.138 -44.460 1.00 0.00 H new ATOM 0 HG2 ARG A1860 5.504 12.516 -46.682 1.00 0.00 H new ATOM 0 HG3 ARG A1860 5.612 14.250 -46.458 1.00 0.00 H new ATOM 0 HD2 ARG A1860 6.361 13.240 -48.737 1.00 0.00 H new ATOM 0 HD3 ARG A1860 7.350 14.492 -48.013 1.00 0.00 H new ATOM 0 HE ARG A1860 8.120 11.709 -47.367 1.00 0.00 H new ATOM 0 HH11 ARG A1860 8.656 14.283 -49.729 1.00 0.00 H new ATOM 0 HH12 ARG A1860 10.318 13.755 -50.013 1.00 0.00 H new ATOM 0 HH21 ARG A1860 10.290 11.264 -47.670 1.00 0.00 H new ATOM 0 HH22 ARG A1860 11.192 12.140 -48.911 1.00 0.00 H new ATOM 1431 N VAL A1861 8.091 14.858 -42.744 1.00 0.00 N ATOM 1432 CA VAL A1861 7.941 15.752 -41.577 1.00 0.00 C ATOM 1433 C VAL A1861 9.028 16.833 -41.568 1.00 0.00 C ATOM 1434 O VAL A1861 8.733 18.023 -41.420 1.00 0.00 O ATOM 1435 CB VAL A1861 7.978 14.960 -40.246 1.00 0.00 C ATOM 1436 CG1 VAL A1861 7.559 15.853 -39.069 1.00 0.00 C ATOM 1437 CG2 VAL A1861 7.037 13.751 -40.266 1.00 0.00 C ATOM 0 H VAL A1861 8.445 13.936 -42.488 1.00 0.00 H new ATOM 0 HA VAL A1861 6.966 16.232 -41.665 1.00 0.00 H new ATOM 0 HB VAL A1861 9.006 14.617 -40.127 1.00 0.00 H new ATOM 0 HG11 VAL A1861 7.592 15.276 -38.145 1.00 0.00 H new ATOM 0 HG12 VAL A1861 8.242 16.699 -38.993 1.00 0.00 H new ATOM 0 HG13 VAL A1861 6.545 16.218 -39.232 1.00 0.00 H new ATOM 0 HG21 VAL A1861 7.097 13.227 -39.312 1.00 0.00 H new ATOM 0 HG22 VAL A1861 6.014 14.089 -40.430 1.00 0.00 H new ATOM 0 HG23 VAL A1861 7.330 13.076 -41.070 1.00 0.00 H new