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 Set 1.1: A1807 GLN : amide:sc= 1.01 K(o=0.79,f=-1.5) USER MOD Set 1.2: A1850 CYS SG : rot -163:sc= -0.217 USER MOD Single : A1787 SER OG : rot 180:sc= 0.0221 USER MOD Single : A1793 MET CE :methyl -157:sc= -0.0557 (180deg=-0.782) 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 -36:sc= 0.0347 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= 0.00462 USER MOD Single : A1822 SER OG : rot 180:sc= 0 USER MOD Single : A1829 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.17) USER MOD Single : A1831 ASN : amide:sc= 1.72 K(o=1.7,f=-4.2!) USER MOD Single : A1832 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1834 SER OG : rot 180:sc= 0.701 USER MOD Single : A1837 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A1838 MET CE :methyl 169:sc= 0 (180deg=-0.0405) USER MOD Single : A1842 MET CE :methyl -138:sc= 0 (180deg=-0.0975) USER MOD Single : A1844 SER OG : rot 180:sc= 0 USER MOD Single : A1849 HIS : no HE2:sc= 0.877 K(o=0.88,f=-3!) USER MOD Single : A1851 MET CE :methyl -174:sc= -0.0942 (180deg=-0.175) USER MOD Single : A1858 THR OG1 : rot -72:sc= 0.877 USER MOD Single : A1859 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 226 N LEU A1786 9.947 15.126 -33.624 1.00 0.00 N ATOM 227 CA LEU A1786 9.548 13.730 -33.375 1.00 0.00 C ATOM 228 C LEU A1786 10.017 13.242 -31.992 1.00 0.00 C ATOM 229 O LEU A1786 10.997 13.757 -31.441 1.00 0.00 O ATOM 230 CB LEU A1786 10.127 12.845 -34.500 1.00 0.00 C ATOM 231 CG LEU A1786 9.478 13.052 -35.882 1.00 0.00 C ATOM 232 CD1 LEU A1786 10.359 12.439 -36.972 1.00 0.00 C ATOM 233 CD2 LEU A1786 8.097 12.400 -35.963 1.00 0.00 C ATOM 0 HA LEU A1786 8.460 13.664 -33.376 1.00 0.00 H new ATOM 0 HB2 LEU A1786 11.196 13.040 -34.583 1.00 0.00 H new ATOM 0 HB3 LEU A1786 10.015 11.799 -34.214 1.00 0.00 H new ATOM 0 HG LEU A1786 9.373 14.127 -36.029 1.00 0.00 H new ATOM 0 HD11 LEU A1786 9.892 12.590 -37.945 1.00 0.00 H new ATOM 0 HD12 LEU A1786 11.338 12.918 -36.961 1.00 0.00 H new ATOM 0 HD13 LEU A1786 10.476 11.371 -36.788 1.00 0.00 H new ATOM 0 HD21 LEU A1786 7.673 12.568 -36.953 1.00 0.00 H new ATOM 0 HD22 LEU A1786 8.189 11.329 -35.785 1.00 0.00 H new ATOM 0 HD23 LEU A1786 7.443 12.838 -35.209 1.00 0.00 H new ATOM 245 N SER A1787 9.335 12.236 -31.442 1.00 0.00 N ATOM 246 CA SER A1787 9.624 11.602 -30.146 1.00 0.00 C ATOM 247 C SER A1787 9.381 10.084 -30.183 1.00 0.00 C ATOM 248 O SER A1787 8.925 9.533 -31.187 1.00 0.00 O ATOM 249 CB SER A1787 8.767 12.276 -29.066 1.00 0.00 C ATOM 250 OG SER A1787 9.235 11.940 -27.764 1.00 0.00 O ATOM 0 H SER A1787 8.528 11.819 -31.906 1.00 0.00 H new ATOM 0 HA SER A1787 10.680 11.737 -29.913 1.00 0.00 H new ATOM 0 HB2 SER A1787 8.792 13.358 -29.198 1.00 0.00 H new ATOM 0 HB3 SER A1787 7.728 11.966 -29.175 1.00 0.00 H new ATOM 0 HG SER A1787 8.676 12.382 -27.091 1.00 0.00 H new ATOM 256 N GLU A1788 9.685 9.387 -29.086 1.00 0.00 N ATOM 257 CA GLU A1788 9.567 7.926 -28.948 1.00 0.00 C ATOM 258 C GLU A1788 8.157 7.395 -29.274 1.00 0.00 C ATOM 259 O GLU A1788 8.025 6.329 -29.880 1.00 0.00 O ATOM 260 CB GLU A1788 10.001 7.534 -27.521 1.00 0.00 C ATOM 261 CG GLU A1788 10.097 6.013 -27.310 1.00 0.00 C ATOM 262 CD GLU A1788 10.651 5.671 -25.915 1.00 0.00 C ATOM 263 OE1 GLU A1788 11.894 5.553 -25.752 1.00 0.00 O ATOM 264 OE2 GLU A1788 9.846 5.513 -24.963 1.00 0.00 O ATOM 0 H GLU A1788 10.032 9.835 -28.238 1.00 0.00 H new ATOM 0 HA GLU A1788 10.223 7.459 -29.683 1.00 0.00 H new ATOM 0 HB2 GLU A1788 10.970 7.985 -27.307 1.00 0.00 H new ATOM 0 HB3 GLU A1788 9.291 7.949 -26.806 1.00 0.00 H new ATOM 0 HG2 GLU A1788 9.111 5.565 -27.431 1.00 0.00 H new ATOM 0 HG3 GLU A1788 10.741 5.578 -28.075 1.00 0.00 H new ATOM 271 N ASP A1789 7.105 8.150 -28.938 1.00 0.00 N ATOM 272 CA ASP A1789 5.708 7.797 -29.225 1.00 0.00 C ATOM 273 C ASP A1789 5.392 7.686 -30.723 1.00 0.00 C ATOM 274 O ASP A1789 4.549 6.875 -31.109 1.00 0.00 O ATOM 275 CB ASP A1789 4.772 8.834 -28.583 1.00 0.00 C ATOM 276 CG ASP A1789 4.801 8.771 -27.046 1.00 0.00 C ATOM 277 OD1 ASP A1789 4.151 7.862 -26.470 1.00 0.00 O ATOM 278 OD2 ASP A1789 5.454 9.633 -26.413 1.00 0.00 O ATOM 0 H ASP A1789 7.201 9.040 -28.450 1.00 0.00 H new ATOM 0 HA ASP A1789 5.548 6.807 -28.798 1.00 0.00 H new ATOM 0 HB2 ASP A1789 5.061 9.833 -28.909 1.00 0.00 H new ATOM 0 HB3 ASP A1789 3.753 8.667 -28.933 1.00 0.00 H new ATOM 283 N ASP A1790 6.062 8.462 -31.587 1.00 0.00 N ATOM 284 CA ASP A1790 5.881 8.407 -33.045 1.00 0.00 C ATOM 285 C ASP A1790 6.436 7.100 -33.635 1.00 0.00 C ATOM 286 O ASP A1790 5.790 6.456 -34.465 1.00 0.00 O ATOM 287 CB ASP A1790 6.547 9.618 -33.720 1.00 0.00 C ATOM 288 CG ASP A1790 5.983 10.952 -33.220 1.00 0.00 C ATOM 289 OD1 ASP A1790 4.802 11.255 -33.507 1.00 0.00 O ATOM 290 OD2 ASP A1790 6.719 11.708 -32.542 1.00 0.00 O ATOM 0 H ASP A1790 6.752 9.152 -31.290 1.00 0.00 H new ATOM 0 HA ASP A1790 4.809 8.436 -33.243 1.00 0.00 H new ATOM 0 HB2 ASP A1790 7.621 9.589 -33.534 1.00 0.00 H new ATOM 0 HB3 ASP A1790 6.408 9.550 -34.799 1.00 0.00 H new ATOM 295 N PHE A1791 7.627 6.686 -33.191 1.00 0.00 N ATOM 296 CA PHE A1791 8.255 5.423 -33.576 1.00 0.00 C ATOM 297 C PHE A1791 7.498 4.214 -33.005 1.00 0.00 C ATOM 298 O PHE A1791 7.271 3.238 -33.719 1.00 0.00 O ATOM 299 CB PHE A1791 9.726 5.432 -33.143 1.00 0.00 C ATOM 300 CG PHE A1791 10.519 6.572 -33.758 1.00 0.00 C ATOM 301 CD1 PHE A1791 10.798 6.555 -35.135 1.00 0.00 C ATOM 302 CD2 PHE A1791 10.930 7.666 -32.977 1.00 0.00 C ATOM 303 CE1 PHE A1791 11.488 7.625 -35.730 1.00 0.00 C ATOM 304 CE2 PHE A1791 11.607 8.746 -33.571 1.00 0.00 C ATOM 305 CZ PHE A1791 11.888 8.724 -34.948 1.00 0.00 C ATOM 0 H PHE A1791 8.191 7.233 -32.540 1.00 0.00 H new ATOM 0 HA PHE A1791 8.211 5.325 -34.661 1.00 0.00 H new ATOM 0 HB2 PHE A1791 9.779 5.505 -32.057 1.00 0.00 H new ATOM 0 HB3 PHE A1791 10.187 4.484 -33.422 1.00 0.00 H new ATOM 0 HD1 PHE A1791 10.481 5.717 -35.738 1.00 0.00 H new ATOM 0 HD2 PHE A1791 10.725 7.677 -31.917 1.00 0.00 H new ATOM 0 HE1 PHE A1791 11.711 7.604 -36.787 1.00 0.00 H new ATOM 0 HE2 PHE A1791 11.910 9.591 -32.970 1.00 0.00 H new ATOM 0 HZ PHE A1791 12.411 9.551 -35.406 1.00 0.00 H new ATOM 315 N ASP A1792 7.043 4.283 -31.748 1.00 0.00 N ATOM 316 CA ASP A1792 6.180 3.263 -31.138 1.00 0.00 C ATOM 317 C ASP A1792 4.852 3.085 -31.904 1.00 0.00 C ATOM 318 O ASP A1792 4.460 1.954 -32.196 1.00 0.00 O ATOM 319 CB ASP A1792 5.924 3.626 -29.673 1.00 0.00 C ATOM 320 CG ASP A1792 5.084 2.555 -28.957 1.00 0.00 C ATOM 321 OD1 ASP A1792 5.625 1.468 -28.635 1.00 0.00 O ATOM 322 OD2 ASP A1792 3.877 2.802 -28.711 1.00 0.00 O ATOM 0 H ASP A1792 7.265 5.055 -31.120 1.00 0.00 H new ATOM 0 HA ASP A1792 6.697 2.305 -31.191 1.00 0.00 H new ATOM 0 HB2 ASP A1792 6.876 3.746 -29.157 1.00 0.00 H new ATOM 0 HB3 ASP A1792 5.410 4.586 -29.621 1.00 0.00 H new ATOM 327 N MET A1793 4.200 4.184 -32.304 1.00 0.00 N ATOM 328 CA MET A1793 3.029 4.180 -33.190 1.00 0.00 C ATOM 329 C MET A1793 3.339 3.533 -34.553 1.00 0.00 C ATOM 330 O MET A1793 2.587 2.665 -35.005 1.00 0.00 O ATOM 331 CB MET A1793 2.487 5.615 -33.301 1.00 0.00 C ATOM 332 CG MET A1793 1.348 5.801 -34.319 1.00 0.00 C ATOM 333 SD MET A1793 1.836 6.183 -36.028 1.00 0.00 S ATOM 334 CE MET A1793 2.647 7.797 -35.819 1.00 0.00 C ATOM 0 H MET A1793 4.478 5.122 -32.014 1.00 0.00 H new ATOM 0 HA MET A1793 2.246 3.555 -32.761 1.00 0.00 H new ATOM 0 HB2 MET A1793 2.133 5.931 -32.320 1.00 0.00 H new ATOM 0 HB3 MET A1793 3.309 6.278 -33.572 1.00 0.00 H new ATOM 0 HG2 MET A1793 0.750 4.890 -34.331 1.00 0.00 H new ATOM 0 HG3 MET A1793 0.700 6.602 -33.963 1.00 0.00 H new ATOM 0 HE1 MET A1793 2.631 8.337 -36.765 1.00 0.00 H new ATOM 0 HE2 MET A1793 2.117 8.375 -35.062 1.00 0.00 H new ATOM 0 HE3 MET A1793 3.680 7.647 -35.504 1.00 0.00 H new ATOM 344 N PHE A1794 4.465 3.886 -35.187 1.00 0.00 N ATOM 345 CA PHE A1794 4.922 3.245 -36.427 1.00 0.00 C ATOM 346 C PHE A1794 5.050 1.720 -36.275 1.00 0.00 C ATOM 347 O PHE A1794 4.451 0.976 -37.056 1.00 0.00 O ATOM 348 CB PHE A1794 6.227 3.890 -36.917 1.00 0.00 C ATOM 349 CG PHE A1794 6.698 3.431 -38.289 1.00 0.00 C ATOM 350 CD1 PHE A1794 7.451 2.247 -38.426 1.00 0.00 C ATOM 351 CD2 PHE A1794 6.414 4.207 -39.434 1.00 0.00 C ATOM 352 CE1 PHE A1794 7.914 1.843 -39.688 1.00 0.00 C ATOM 353 CE2 PHE A1794 6.901 3.817 -40.692 1.00 0.00 C ATOM 354 CZ PHE A1794 7.647 2.633 -40.822 1.00 0.00 C ATOM 0 H PHE A1794 5.085 4.624 -34.854 1.00 0.00 H new ATOM 0 HA PHE A1794 4.162 3.410 -37.190 1.00 0.00 H new ATOM 0 HB2 PHE A1794 6.094 4.972 -36.939 1.00 0.00 H new ATOM 0 HB3 PHE A1794 7.013 3.680 -36.191 1.00 0.00 H new ATOM 0 HD1 PHE A1794 7.673 1.648 -37.555 1.00 0.00 H new ATOM 0 HD2 PHE A1794 5.820 5.104 -39.342 1.00 0.00 H new ATOM 0 HE1 PHE A1794 8.475 0.926 -39.789 1.00 0.00 H new ATOM 0 HE2 PHE A1794 6.702 4.427 -41.560 1.00 0.00 H new ATOM 0 HZ PHE A1794 8.015 2.330 -41.791 1.00 0.00 H new ATOM 364 N TYR A1795 5.778 1.234 -35.259 1.00 0.00 N ATOM 365 CA TYR A1795 5.960 -0.198 -34.992 1.00 0.00 C ATOM 366 C TYR A1795 4.642 -0.938 -34.677 1.00 0.00 C ATOM 367 O TYR A1795 4.427 -2.045 -35.168 1.00 0.00 O ATOM 368 CB TYR A1795 6.949 -0.400 -33.831 1.00 0.00 C ATOM 369 CG TYR A1795 8.335 0.216 -33.985 1.00 0.00 C ATOM 370 CD1 TYR A1795 9.006 0.219 -35.226 1.00 0.00 C ATOM 371 CD2 TYR A1795 8.967 0.772 -32.854 1.00 0.00 C ATOM 372 CE1 TYR A1795 10.284 0.802 -35.339 1.00 0.00 C ATOM 373 CE2 TYR A1795 10.246 1.354 -32.960 1.00 0.00 C ATOM 374 CZ TYR A1795 10.904 1.381 -34.211 1.00 0.00 C ATOM 375 OH TYR A1795 12.137 1.942 -34.319 1.00 0.00 O ATOM 0 H TYR A1795 6.263 1.834 -34.591 1.00 0.00 H new ATOM 0 HA TYR A1795 6.356 -0.630 -35.911 1.00 0.00 H new ATOM 0 HB2 TYR A1795 6.497 0.007 -32.926 1.00 0.00 H new ATOM 0 HB3 TYR A1795 7.071 -1.472 -33.673 1.00 0.00 H new ATOM 0 HD1 TYR A1795 8.539 -0.227 -36.092 1.00 0.00 H new ATOM 0 HD2 TYR A1795 8.466 0.752 -31.897 1.00 0.00 H new ATOM 0 HE1 TYR A1795 10.791 0.806 -36.293 1.00 0.00 H new ATOM 0 HE2 TYR A1795 10.722 1.778 -32.088 1.00 0.00 H new ATOM 0 HH TYR A1795 12.414 2.294 -33.447 1.00 0.00 H new ATOM 385 N GLU A1796 3.748 -0.343 -33.886 1.00 0.00 N ATOM 386 CA GLU A1796 2.431 -0.910 -33.552 1.00 0.00 C ATOM 387 C GLU A1796 1.562 -1.149 -34.799 1.00 0.00 C ATOM 388 O GLU A1796 0.961 -2.214 -34.956 1.00 0.00 O ATOM 389 CB GLU A1796 1.732 0.011 -32.537 1.00 0.00 C ATOM 390 CG GLU A1796 0.395 -0.551 -32.043 1.00 0.00 C ATOM 391 CD GLU A1796 -0.204 0.323 -30.924 1.00 0.00 C ATOM 392 OE1 GLU A1796 -0.870 1.337 -31.240 1.00 0.00 O ATOM 393 OE2 GLU A1796 -0.035 -0.009 -29.724 1.00 0.00 O ATOM 0 H GLU A1796 3.917 0.563 -33.449 1.00 0.00 H new ATOM 0 HA GLU A1796 2.579 -1.893 -33.104 1.00 0.00 H new ATOM 0 HB2 GLU A1796 2.391 0.169 -31.684 1.00 0.00 H new ATOM 0 HB3 GLU A1796 1.564 0.986 -32.995 1.00 0.00 H new ATOM 0 HG2 GLU A1796 -0.306 -0.610 -32.875 1.00 0.00 H new ATOM 0 HG3 GLU A1796 0.539 -1.567 -31.675 1.00 0.00 H new ATOM 400 N ILE A1797 1.509 -0.168 -35.712 1.00 0.00 N ATOM 401 CA ILE A1797 0.770 -0.265 -36.976 1.00 0.00 C ATOM 402 C ILE A1797 1.499 -1.169 -37.994 1.00 0.00 C ATOM 403 O ILE A1797 0.841 -1.905 -38.732 1.00 0.00 O ATOM 404 CB ILE A1797 0.485 1.150 -37.535 1.00 0.00 C ATOM 405 CG1 ILE A1797 -0.341 2.031 -36.555 1.00 0.00 C ATOM 406 CG2 ILE A1797 -0.233 1.102 -38.893 1.00 0.00 C ATOM 407 CD1 ILE A1797 -1.739 1.509 -36.196 1.00 0.00 C ATOM 0 H ILE A1797 1.985 0.726 -35.590 1.00 0.00 H new ATOM 0 HA ILE A1797 -0.190 -0.744 -36.783 1.00 0.00 H new ATOM 0 HB ILE A1797 1.466 1.607 -37.665 1.00 0.00 H new ATOM 0 HG12 ILE A1797 0.229 2.147 -35.633 1.00 0.00 H new ATOM 0 HG13 ILE A1797 -0.447 3.024 -36.992 1.00 0.00 H new ATOM 0 HG21 ILE A1797 -0.412 2.118 -39.246 1.00 0.00 H new ATOM 0 HG22 ILE A1797 0.388 0.571 -39.614 1.00 0.00 H new ATOM 0 HG23 ILE A1797 -1.185 0.583 -38.783 1.00 0.00 H new ATOM 0 HD11 ILE A1797 -2.221 2.203 -35.508 1.00 0.00 H new ATOM 0 HD12 ILE A1797 -2.338 1.421 -37.102 1.00 0.00 H new ATOM 0 HD13 ILE A1797 -1.652 0.531 -35.723 1.00 0.00 H new ATOM 419 N TRP A1798 2.839 -1.202 -38.005 1.00 0.00 N ATOM 420 CA TRP A1798 3.645 -2.031 -38.920 1.00 0.00 C ATOM 421 C TRP A1798 3.277 -3.523 -38.861 1.00 0.00 C ATOM 422 O TRP A1798 3.076 -4.157 -39.898 1.00 0.00 O ATOM 423 CB TRP A1798 5.145 -1.827 -38.633 1.00 0.00 C ATOM 424 CG TRP A1798 6.056 -2.650 -39.487 1.00 0.00 C ATOM 425 CD1 TRP A1798 6.578 -3.850 -39.147 1.00 0.00 C ATOM 426 CD2 TRP A1798 6.504 -2.378 -40.850 1.00 0.00 C ATOM 427 NE1 TRP A1798 7.284 -4.360 -40.223 1.00 0.00 N ATOM 428 CE2 TRP A1798 7.244 -3.508 -41.306 1.00 0.00 C ATOM 429 CE3 TRP A1798 6.322 -1.316 -41.764 1.00 0.00 C ATOM 430 CZ2 TRP A1798 7.751 -3.594 -42.611 1.00 0.00 C ATOM 431 CZ3 TRP A1798 6.854 -1.374 -43.063 1.00 0.00 C ATOM 432 CH2 TRP A1798 7.566 -2.516 -43.488 1.00 0.00 C ATOM 0 H TRP A1798 3.406 -0.644 -37.367 1.00 0.00 H new ATOM 0 HA TRP A1798 3.420 -1.700 -39.934 1.00 0.00 H new ATOM 0 HB2 TRP A1798 5.389 -0.774 -38.773 1.00 0.00 H new ATOM 0 HB3 TRP A1798 5.337 -2.062 -37.586 1.00 0.00 H new ATOM 0 HD1 TRP A1798 6.463 -4.334 -38.188 1.00 0.00 H new ATOM 0 HE1 TRP A1798 7.773 -5.255 -40.215 1.00 0.00 H new ATOM 0 HE3 TRP A1798 5.764 -0.444 -41.458 1.00 0.00 H new ATOM 0 HZ2 TRP A1798 8.277 -4.479 -42.936 1.00 0.00 H new ATOM 0 HZ3 TRP A1798 6.718 -0.542 -43.738 1.00 0.00 H new ATOM 0 HH2 TRP A1798 7.969 -2.559 -44.489 1.00 0.00 H new ATOM 443 N GLU A1799 3.113 -4.083 -37.656 1.00 0.00 N ATOM 444 CA GLU A1799 2.751 -5.494 -37.438 1.00 0.00 C ATOM 445 C GLU A1799 1.406 -5.904 -38.079 1.00 0.00 C ATOM 446 O GLU A1799 1.198 -7.085 -38.357 1.00 0.00 O ATOM 447 CB GLU A1799 2.721 -5.801 -35.931 1.00 0.00 C ATOM 448 CG GLU A1799 4.111 -5.718 -35.283 1.00 0.00 C ATOM 449 CD GLU A1799 4.044 -6.115 -33.795 1.00 0.00 C ATOM 450 OE1 GLU A1799 3.703 -5.262 -32.936 1.00 0.00 O ATOM 451 OE2 GLU A1799 4.346 -7.290 -33.469 1.00 0.00 O ATOM 0 H GLU A1799 3.230 -3.561 -36.788 1.00 0.00 H new ATOM 0 HA GLU A1799 3.521 -6.083 -37.936 1.00 0.00 H new ATOM 0 HB2 GLU A1799 2.050 -5.100 -35.434 1.00 0.00 H new ATOM 0 HB3 GLU A1799 2.311 -6.799 -35.775 1.00 0.00 H new ATOM 0 HG2 GLU A1799 4.803 -6.376 -35.809 1.00 0.00 H new ATOM 0 HG3 GLU A1799 4.501 -4.705 -35.377 1.00 0.00 H new ATOM 458 N LYS A1800 0.502 -4.953 -38.366 1.00 0.00 N ATOM 459 CA LYS A1800 -0.787 -5.203 -39.042 1.00 0.00 C ATOM 460 C LYS A1800 -0.625 -5.536 -40.536 1.00 0.00 C ATOM 461 O LYS A1800 -1.491 -6.189 -41.111 1.00 0.00 O ATOM 462 CB LYS A1800 -1.723 -3.995 -38.862 1.00 0.00 C ATOM 463 CG LYS A1800 -1.935 -3.622 -37.384 1.00 0.00 C ATOM 464 CD LYS A1800 -3.005 -2.536 -37.228 1.00 0.00 C ATOM 465 CE LYS A1800 -3.200 -2.216 -35.746 1.00 0.00 C ATOM 466 NZ LYS A1800 -4.328 -1.275 -35.527 1.00 0.00 N ATOM 0 H LYS A1800 0.647 -3.971 -38.132 1.00 0.00 H new ATOM 0 HA LYS A1800 -1.227 -6.082 -38.571 1.00 0.00 H new ATOM 0 HB2 LYS A1800 -1.309 -3.138 -39.393 1.00 0.00 H new ATOM 0 HB3 LYS A1800 -2.688 -4.217 -39.318 1.00 0.00 H new ATOM 0 HG2 LYS A1800 -2.230 -4.508 -36.822 1.00 0.00 H new ATOM 0 HG3 LYS A1800 -0.995 -3.272 -36.957 1.00 0.00 H new ATOM 0 HD2 LYS A1800 -2.707 -1.637 -37.768 1.00 0.00 H new ATOM 0 HD3 LYS A1800 -3.945 -2.873 -37.664 1.00 0.00 H new ATOM 0 HE2 LYS A1800 -3.385 -3.139 -35.196 1.00 0.00 H new ATOM 0 HE3 LYS A1800 -2.283 -1.784 -35.344 1.00 0.00 H new ATOM 0 HZ1 LYS A1800 -4.428 -1.083 -34.510 1.00 0.00 H new ATOM 0 HZ2 LYS A1800 -4.140 -0.385 -36.030 1.00 0.00 H new ATOM 0 HZ3 LYS A1800 -5.207 -1.697 -35.887 1.00 0.00 H new ATOM 480 N PHE A1801 0.501 -5.144 -41.143 1.00 0.00 N ATOM 481 CA PHE A1801 0.861 -5.383 -42.549 1.00 0.00 C ATOM 482 C PHE A1801 2.070 -6.314 -42.712 1.00 0.00 C ATOM 483 O PHE A1801 2.234 -6.929 -43.767 1.00 0.00 O ATOM 484 CB PHE A1801 1.093 -4.032 -43.236 1.00 0.00 C ATOM 485 CG PHE A1801 -0.109 -3.112 -43.132 1.00 0.00 C ATOM 486 CD1 PHE A1801 -1.158 -3.212 -44.068 1.00 0.00 C ATOM 487 CD2 PHE A1801 -0.220 -2.229 -42.041 1.00 0.00 C ATOM 488 CE1 PHE A1801 -2.313 -2.432 -43.906 1.00 0.00 C ATOM 489 CE2 PHE A1801 -1.379 -1.451 -41.879 1.00 0.00 C ATOM 490 CZ PHE A1801 -2.426 -1.555 -42.810 1.00 0.00 C ATOM 0 H PHE A1801 1.223 -4.625 -40.643 1.00 0.00 H new ATOM 0 HA PHE A1801 0.032 -5.904 -43.028 1.00 0.00 H new ATOM 0 HB2 PHE A1801 1.959 -3.545 -42.788 1.00 0.00 H new ATOM 0 HB3 PHE A1801 1.329 -4.199 -44.287 1.00 0.00 H new ATOM 0 HD1 PHE A1801 -1.073 -3.887 -44.907 1.00 0.00 H new ATOM 0 HD2 PHE A1801 0.587 -2.149 -41.328 1.00 0.00 H new ATOM 0 HE1 PHE A1801 -3.117 -2.504 -44.623 1.00 0.00 H new ATOM 0 HE2 PHE A1801 -1.465 -0.775 -41.041 1.00 0.00 H new ATOM 0 HZ PHE A1801 -3.319 -0.961 -42.685 1.00 0.00 H new ATOM 500 N ASP A1802 2.867 -6.492 -41.654 1.00 0.00 N ATOM 501 CA ASP A1802 3.958 -7.466 -41.538 1.00 0.00 C ATOM 502 C ASP A1802 3.733 -8.405 -40.329 1.00 0.00 C ATOM 503 O ASP A1802 4.430 -8.298 -39.314 1.00 0.00 O ATOM 504 CB ASP A1802 5.290 -6.701 -41.462 1.00 0.00 C ATOM 505 CG ASP A1802 6.520 -7.618 -41.358 1.00 0.00 C ATOM 506 OD1 ASP A1802 6.414 -8.825 -41.688 1.00 0.00 O ATOM 507 OD2 ASP A1802 7.602 -7.129 -40.948 1.00 0.00 O ATOM 0 H ASP A1802 2.763 -5.930 -40.809 1.00 0.00 H new ATOM 0 HA ASP A1802 3.985 -8.113 -42.415 1.00 0.00 H new ATOM 0 HB2 ASP A1802 5.389 -6.072 -42.347 1.00 0.00 H new ATOM 0 HB3 ASP A1802 5.269 -6.036 -40.599 1.00 0.00 H new ATOM 512 N PRO A1803 2.766 -9.343 -40.411 1.00 0.00 N ATOM 513 CA PRO A1803 2.540 -10.351 -39.372 1.00 0.00 C ATOM 514 C PRO A1803 3.651 -11.418 -39.326 1.00 0.00 C ATOM 515 O PRO A1803 3.804 -12.114 -38.319 1.00 0.00 O ATOM 516 CB PRO A1803 1.180 -10.968 -39.717 1.00 0.00 C ATOM 517 CG PRO A1803 1.117 -10.852 -41.240 1.00 0.00 C ATOM 518 CD PRO A1803 1.826 -9.529 -41.510 1.00 0.00 C ATOM 0 HA PRO A1803 2.553 -9.904 -38.378 1.00 0.00 H new ATOM 0 HB2 PRO A1803 1.114 -12.006 -39.390 1.00 0.00 H new ATOM 0 HB3 PRO A1803 0.361 -10.430 -39.238 1.00 0.00 H new ATOM 0 HG2 PRO A1803 1.619 -11.687 -41.730 1.00 0.00 H new ATOM 0 HG3 PRO A1803 0.089 -10.841 -41.602 1.00 0.00 H new ATOM 0 HD2 PRO A1803 2.346 -9.554 -42.468 1.00 0.00 H new ATOM 0 HD3 PRO A1803 1.112 -8.706 -41.556 1.00 0.00 H new ATOM 526 N GLU A1804 4.460 -11.533 -40.390 1.00 0.00 N ATOM 527 CA GLU A1804 5.659 -12.384 -40.466 1.00 0.00 C ATOM 528 C GLU A1804 6.858 -11.810 -39.680 1.00 0.00 C ATOM 529 O GLU A1804 7.838 -12.522 -39.446 1.00 0.00 O ATOM 530 CB GLU A1804 6.059 -12.572 -41.941 1.00 0.00 C ATOM 531 CG GLU A1804 4.990 -13.322 -42.749 1.00 0.00 C ATOM 532 CD GLU A1804 5.474 -13.620 -44.182 1.00 0.00 C ATOM 533 OE1 GLU A1804 6.156 -14.651 -44.402 1.00 0.00 O ATOM 534 OE2 GLU A1804 5.154 -12.834 -45.112 1.00 0.00 O ATOM 0 H GLU A1804 4.292 -11.017 -41.254 1.00 0.00 H new ATOM 0 HA GLU A1804 5.403 -13.339 -40.007 1.00 0.00 H new ATOM 0 HB2 GLU A1804 6.234 -11.596 -42.394 1.00 0.00 H new ATOM 0 HB3 GLU A1804 7.000 -13.120 -41.992 1.00 0.00 H new ATOM 0 HG2 GLU A1804 4.740 -14.256 -42.246 1.00 0.00 H new ATOM 0 HG3 GLU A1804 4.077 -12.727 -42.788 1.00 0.00 H new ATOM 541 N ALA A1805 6.796 -10.534 -39.267 1.00 0.00 N ATOM 542 CA ALA A1805 7.897 -9.737 -38.717 1.00 0.00 C ATOM 543 C ALA A1805 9.171 -9.729 -39.604 1.00 0.00 C ATOM 544 O ALA A1805 10.285 -9.524 -39.109 1.00 0.00 O ATOM 545 CB ALA A1805 8.137 -10.146 -37.256 1.00 0.00 C ATOM 0 H ALA A1805 5.926 -10.004 -39.312 1.00 0.00 H new ATOM 0 HA ALA A1805 7.602 -8.688 -38.723 1.00 0.00 H new ATOM 0 HB1 ALA A1805 8.955 -9.556 -36.843 1.00 0.00 H new ATOM 0 HB2 ALA A1805 7.232 -9.969 -36.675 1.00 0.00 H new ATOM 0 HB3 ALA A1805 8.395 -11.204 -37.212 1.00 0.00 H new ATOM 551 N THR A1806 9.019 -9.960 -40.917 1.00 0.00 N ATOM 552 CA THR A1806 10.121 -10.084 -41.891 1.00 0.00 C ATOM 553 C THR A1806 10.857 -8.759 -42.169 1.00 0.00 C ATOM 554 O THR A1806 11.935 -8.770 -42.762 1.00 0.00 O ATOM 555 CB THR A1806 9.614 -10.749 -43.191 1.00 0.00 C ATOM 556 OG1 THR A1806 10.676 -11.289 -43.956 1.00 0.00 O ATOM 557 CG2 THR A1806 8.811 -9.837 -44.111 1.00 0.00 C ATOM 0 H THR A1806 8.100 -10.069 -41.346 1.00 0.00 H new ATOM 0 HA THR A1806 10.872 -10.730 -41.436 1.00 0.00 H new ATOM 0 HB THR A1806 8.948 -11.531 -42.825 1.00 0.00 H new ATOM 0 HG1 THR A1806 11.464 -10.712 -43.875 1.00 0.00 H new ATOM 0 HG21 THR A1806 8.500 -10.394 -44.995 1.00 0.00 H new ATOM 0 HG22 THR A1806 7.930 -9.473 -43.583 1.00 0.00 H new ATOM 0 HG23 THR A1806 9.428 -8.991 -44.414 1.00 0.00 H new ATOM 565 N GLN A1807 10.318 -7.618 -41.715 1.00 0.00 N ATOM 566 CA GLN A1807 10.834 -6.247 -41.897 1.00 0.00 C ATOM 567 C GLN A1807 10.651 -5.704 -43.331 1.00 0.00 C ATOM 568 O GLN A1807 11.229 -4.675 -43.694 1.00 0.00 O ATOM 569 CB GLN A1807 12.277 -6.080 -41.368 1.00 0.00 C ATOM 570 CG GLN A1807 12.503 -6.599 -39.941 1.00 0.00 C ATOM 571 CD GLN A1807 11.554 -5.983 -38.914 1.00 0.00 C ATOM 572 OE1 GLN A1807 11.550 -4.784 -38.662 1.00 0.00 O ATOM 573 NE2 GLN A1807 10.726 -6.777 -38.270 1.00 0.00 N ATOM 0 H GLN A1807 9.453 -7.625 -41.175 1.00 0.00 H new ATOM 0 HA GLN A1807 10.205 -5.613 -41.271 1.00 0.00 H new ATOM 0 HB2 GLN A1807 12.958 -6.600 -42.041 1.00 0.00 H new ATOM 0 HB3 GLN A1807 12.541 -5.023 -41.401 1.00 0.00 H new ATOM 0 HG2 GLN A1807 12.382 -7.682 -39.933 1.00 0.00 H new ATOM 0 HG3 GLN A1807 13.531 -6.391 -39.645 1.00 0.00 H new ATOM 0 HE21 GLN A1807 10.719 -7.777 -38.470 1.00 0.00 H new ATOM 0 HE22 GLN A1807 10.091 -6.392 -37.571 1.00 0.00 H new ATOM 582 N PHE A1808 9.798 -6.349 -44.131 1.00 0.00 N ATOM 583 CA PHE A1808 9.416 -5.937 -45.488 1.00 0.00 C ATOM 584 C PHE A1808 7.884 -5.986 -45.668 1.00 0.00 C ATOM 585 O PHE A1808 7.218 -6.845 -45.082 1.00 0.00 O ATOM 586 CB PHE A1808 10.091 -6.858 -46.518 1.00 0.00 C ATOM 587 CG PHE A1808 11.605 -6.956 -46.418 1.00 0.00 C ATOM 588 CD1 PHE A1808 12.429 -5.919 -46.898 1.00 0.00 C ATOM 589 CD2 PHE A1808 12.197 -8.104 -45.846 1.00 0.00 C ATOM 590 CE1 PHE A1808 13.829 -6.009 -46.758 1.00 0.00 C ATOM 591 CE2 PHE A1808 13.592 -8.194 -45.715 1.00 0.00 C ATOM 592 CZ PHE A1808 14.407 -7.142 -46.168 1.00 0.00 C ATOM 0 H PHE A1808 9.334 -7.209 -43.840 1.00 0.00 H new ATOM 0 HA PHE A1808 9.747 -4.910 -45.643 1.00 0.00 H new ATOM 0 HB2 PHE A1808 9.672 -7.859 -46.413 1.00 0.00 H new ATOM 0 HB3 PHE A1808 9.833 -6.507 -47.517 1.00 0.00 H new ATOM 0 HD1 PHE A1808 11.988 -5.055 -47.373 1.00 0.00 H new ATOM 0 HD2 PHE A1808 11.573 -8.918 -45.507 1.00 0.00 H new ATOM 0 HE1 PHE A1808 14.458 -5.203 -47.106 1.00 0.00 H new ATOM 0 HE2 PHE A1808 14.038 -9.070 -45.267 1.00 0.00 H new ATOM 0 HZ PHE A1808 15.480 -7.207 -46.061 1.00 0.00 H new ATOM 602 N ILE A1809 7.339 -5.113 -46.524 1.00 0.00 N ATOM 603 CA ILE A1809 5.961 -5.192 -47.056 1.00 0.00 C ATOM 604 C ILE A1809 5.942 -4.955 -48.575 1.00 0.00 C ATOM 605 O ILE A1809 6.925 -4.484 -49.145 1.00 0.00 O ATOM 606 CB ILE A1809 4.983 -4.235 -46.324 1.00 0.00 C ATOM 607 CG1 ILE A1809 5.361 -2.747 -46.499 1.00 0.00 C ATOM 608 CG2 ILE A1809 4.825 -4.647 -44.854 1.00 0.00 C ATOM 609 CD1 ILE A1809 4.356 -1.772 -45.866 1.00 0.00 C ATOM 0 H ILE A1809 7.854 -4.307 -46.879 1.00 0.00 H new ATOM 0 HA ILE A1809 5.606 -6.204 -46.864 1.00 0.00 H new ATOM 0 HB ILE A1809 4.006 -4.334 -46.796 1.00 0.00 H new ATOM 0 HG12 ILE A1809 6.344 -2.577 -46.059 1.00 0.00 H new ATOM 0 HG13 ILE A1809 5.446 -2.526 -47.563 1.00 0.00 H new ATOM 0 HG21 ILE A1809 4.136 -3.964 -44.357 1.00 0.00 H new ATOM 0 HG22 ILE A1809 4.432 -5.662 -44.801 1.00 0.00 H new ATOM 0 HG23 ILE A1809 5.795 -4.607 -44.359 1.00 0.00 H new ATOM 0 HD11 ILE A1809 4.690 -0.748 -46.030 1.00 0.00 H new ATOM 0 HD12 ILE A1809 3.376 -1.912 -46.323 1.00 0.00 H new ATOM 0 HD13 ILE A1809 4.288 -1.964 -44.795 1.00 0.00 H new ATOM 621 N GLU A1810 4.828 -5.272 -49.242 1.00 0.00 N ATOM 622 CA GLU A1810 4.643 -5.061 -50.688 1.00 0.00 C ATOM 623 C GLU A1810 4.147 -3.636 -50.992 1.00 0.00 C ATOM 624 O GLU A1810 3.415 -3.044 -50.197 1.00 0.00 O ATOM 625 CB GLU A1810 3.664 -6.099 -51.278 1.00 0.00 C ATOM 626 CG GLU A1810 3.920 -7.530 -50.782 1.00 0.00 C ATOM 627 CD GLU A1810 3.358 -8.592 -51.743 1.00 0.00 C ATOM 628 OE1 GLU A1810 2.121 -8.663 -51.944 1.00 0.00 O ATOM 629 OE2 GLU A1810 4.169 -9.388 -52.278 1.00 0.00 O ATOM 0 H GLU A1810 4.015 -5.689 -48.789 1.00 0.00 H new ATOM 0 HA GLU A1810 5.617 -5.190 -51.159 1.00 0.00 H new ATOM 0 HB2 GLU A1810 2.644 -5.811 -51.023 1.00 0.00 H new ATOM 0 HB3 GLU A1810 3.738 -6.081 -52.365 1.00 0.00 H new ATOM 0 HG2 GLU A1810 4.992 -7.684 -50.662 1.00 0.00 H new ATOM 0 HG3 GLU A1810 3.467 -7.657 -49.799 1.00 0.00 H new ATOM 636 N TYR A1811 4.458 -3.100 -52.181 1.00 0.00 N ATOM 637 CA TYR A1811 3.976 -1.772 -52.604 1.00 0.00 C ATOM 638 C TYR A1811 2.439 -1.685 -52.637 1.00 0.00 C ATOM 639 O TYR A1811 1.858 -0.647 -52.320 1.00 0.00 O ATOM 640 CB TYR A1811 4.577 -1.406 -53.966 1.00 0.00 C ATOM 641 CG TYR A1811 4.652 0.093 -54.212 1.00 0.00 C ATOM 642 CD1 TYR A1811 5.612 0.865 -53.526 1.00 0.00 C ATOM 643 CD2 TYR A1811 3.789 0.716 -55.134 1.00 0.00 C ATOM 644 CE1 TYR A1811 5.722 2.248 -53.769 1.00 0.00 C ATOM 645 CE2 TYR A1811 3.890 2.099 -55.375 1.00 0.00 C ATOM 646 CZ TYR A1811 4.859 2.869 -54.697 1.00 0.00 C ATOM 647 OH TYR A1811 4.979 4.199 -54.963 1.00 0.00 O ATOM 0 H TYR A1811 5.045 -3.567 -52.872 1.00 0.00 H new ATOM 0 HA TYR A1811 4.310 -1.049 -51.860 1.00 0.00 H new ATOM 0 HB2 TYR A1811 5.579 -1.829 -54.038 1.00 0.00 H new ATOM 0 HB3 TYR A1811 3.980 -1.866 -54.753 1.00 0.00 H new ATOM 0 HD1 TYR A1811 6.267 0.393 -52.809 1.00 0.00 H new ATOM 0 HD2 TYR A1811 3.048 0.131 -55.658 1.00 0.00 H new ATOM 0 HE1 TYR A1811 6.465 2.832 -53.246 1.00 0.00 H new ATOM 0 HE2 TYR A1811 3.224 2.572 -56.081 1.00 0.00 H new ATOM 0 HH TYR A1811 5.913 4.473 -54.848 1.00 0.00 H new ATOM 657 N SER A1812 1.779 -2.807 -52.941 1.00 0.00 N ATOM 658 CA SER A1812 0.321 -2.995 -52.939 1.00 0.00 C ATOM 659 C SER A1812 -0.347 -2.827 -51.563 1.00 0.00 C ATOM 660 O SER A1812 -1.568 -2.662 -51.513 1.00 0.00 O ATOM 661 CB SER A1812 -0.017 -4.393 -53.472 1.00 0.00 C ATOM 662 OG SER A1812 0.601 -4.623 -54.732 1.00 0.00 O ATOM 0 H SER A1812 2.274 -3.657 -53.210 1.00 0.00 H new ATOM 0 HA SER A1812 -0.074 -2.205 -53.578 1.00 0.00 H new ATOM 0 HB2 SER A1812 0.313 -5.148 -52.758 1.00 0.00 H new ATOM 0 HB3 SER A1812 -1.098 -4.497 -53.569 1.00 0.00 H new ATOM 0 HG SER A1812 0.372 -5.521 -55.050 1.00 0.00 H new ATOM 668 N VAL A1813 0.421 -2.846 -50.460 1.00 0.00 N ATOM 669 CA VAL A1813 -0.070 -2.624 -49.080 1.00 0.00 C ATOM 670 C VAL A1813 0.643 -1.477 -48.347 1.00 0.00 C ATOM 671 O VAL A1813 0.166 -1.050 -47.295 1.00 0.00 O ATOM 672 CB VAL A1813 -0.056 -3.911 -48.227 1.00 0.00 C ATOM 673 CG1 VAL A1813 -0.960 -4.996 -48.820 1.00 0.00 C ATOM 674 CG2 VAL A1813 1.350 -4.485 -48.040 1.00 0.00 C ATOM 0 H VAL A1813 1.425 -3.020 -50.499 1.00 0.00 H new ATOM 0 HA VAL A1813 -1.109 -2.318 -49.206 1.00 0.00 H new ATOM 0 HB VAL A1813 -0.438 -3.612 -47.251 1.00 0.00 H new ATOM 0 HG11 VAL A1813 -0.922 -5.885 -48.191 1.00 0.00 H new ATOM 0 HG12 VAL A1813 -1.985 -4.629 -48.868 1.00 0.00 H new ATOM 0 HG13 VAL A1813 -0.617 -5.247 -49.824 1.00 0.00 H new ATOM 0 HG21 VAL A1813 1.296 -5.388 -47.432 1.00 0.00 H new ATOM 0 HG22 VAL A1813 1.777 -4.727 -49.013 1.00 0.00 H new ATOM 0 HG23 VAL A1813 1.980 -3.749 -47.541 1.00 0.00 H new ATOM 684 N LEU A1814 1.715 -0.905 -48.904 1.00 0.00 N ATOM 685 CA LEU A1814 2.348 0.327 -48.400 1.00 0.00 C ATOM 686 C LEU A1814 1.355 1.507 -48.389 1.00 0.00 C ATOM 687 O LEU A1814 1.338 2.298 -47.450 1.00 0.00 O ATOM 688 CB LEU A1814 3.604 0.633 -49.250 1.00 0.00 C ATOM 689 CG LEU A1814 4.729 1.427 -48.547 1.00 0.00 C ATOM 690 CD1 LEU A1814 5.877 1.615 -49.541 1.00 0.00 C ATOM 691 CD2 LEU A1814 4.334 2.809 -48.036 1.00 0.00 C ATOM 0 H LEU A1814 2.177 -1.287 -49.729 1.00 0.00 H new ATOM 0 HA LEU A1814 2.654 0.178 -47.365 1.00 0.00 H new ATOM 0 HB2 LEU A1814 4.019 -0.312 -49.600 1.00 0.00 H new ATOM 0 HB3 LEU A1814 3.292 1.190 -50.133 1.00 0.00 H new ATOM 0 HG LEU A1814 4.999 0.839 -47.669 1.00 0.00 H new ATOM 0 HD11 LEU A1814 6.683 2.174 -49.065 1.00 0.00 H new ATOM 0 HD12 LEU A1814 6.249 0.640 -49.856 1.00 0.00 H new ATOM 0 HD13 LEU A1814 5.519 2.165 -50.411 1.00 0.00 H new ATOM 0 HD21 LEU A1814 5.194 3.281 -47.560 1.00 0.00 H new ATOM 0 HD22 LEU A1814 3.999 3.424 -48.871 1.00 0.00 H new ATOM 0 HD23 LEU A1814 3.526 2.712 -47.311 1.00 0.00 H new ATOM 703 N SER A1815 0.474 1.611 -49.388 1.00 0.00 N ATOM 704 CA SER A1815 -0.569 2.646 -49.481 1.00 0.00 C ATOM 705 C SER A1815 -1.658 2.499 -48.411 1.00 0.00 C ATOM 706 O SER A1815 -2.205 3.498 -47.941 1.00 0.00 O ATOM 707 CB SER A1815 -1.187 2.617 -50.882 1.00 0.00 C ATOM 708 OG SER A1815 -1.626 1.303 -51.217 1.00 0.00 O ATOM 0 H SER A1815 0.463 0.963 -50.176 1.00 0.00 H new ATOM 0 HA SER A1815 -0.092 3.609 -49.300 1.00 0.00 H new ATOM 0 HB2 SER A1815 -2.028 3.308 -50.927 1.00 0.00 H new ATOM 0 HB3 SER A1815 -0.455 2.958 -51.614 1.00 0.00 H new ATOM 0 HG SER A1815 -2.019 1.308 -52.115 1.00 0.00 H new ATOM 714 N ASP A1816 -1.938 1.266 -47.980 1.00 0.00 N ATOM 715 CA ASP A1816 -2.795 0.976 -46.831 1.00 0.00 C ATOM 716 C ASP A1816 -2.087 1.280 -45.496 1.00 0.00 C ATOM 717 O ASP A1816 -2.662 1.953 -44.638 1.00 0.00 O ATOM 718 CB ASP A1816 -3.260 -0.482 -46.886 1.00 0.00 C ATOM 719 CG ASP A1816 -4.265 -0.745 -48.015 1.00 0.00 C ATOM 720 OD1 ASP A1816 -5.255 0.021 -48.133 1.00 0.00 O ATOM 721 OD2 ASP A1816 -4.091 -1.732 -48.770 1.00 0.00 O ATOM 0 H ASP A1816 -1.568 0.428 -48.429 1.00 0.00 H new ATOM 0 HA ASP A1816 -3.666 1.629 -46.883 1.00 0.00 H new ATOM 0 HB2 ASP A1816 -2.394 -1.130 -47.019 1.00 0.00 H new ATOM 0 HB3 ASP A1816 -3.714 -0.750 -45.932 1.00 0.00 H new ATOM 726 N PHE A1817 -0.831 0.851 -45.336 1.00 0.00 N ATOM 727 CA PHE A1817 0.014 1.153 -44.174 1.00 0.00 C ATOM 728 C PHE A1817 0.161 2.668 -43.940 1.00 0.00 C ATOM 729 O PHE A1817 -0.089 3.157 -42.836 1.00 0.00 O ATOM 730 CB PHE A1817 1.384 0.473 -44.339 1.00 0.00 C ATOM 731 CG PHE A1817 2.396 0.864 -43.276 1.00 0.00 C ATOM 732 CD1 PHE A1817 2.130 0.588 -41.920 1.00 0.00 C ATOM 733 CD2 PHE A1817 3.579 1.541 -43.623 1.00 0.00 C ATOM 734 CE1 PHE A1817 3.027 1.006 -40.921 1.00 0.00 C ATOM 735 CE2 PHE A1817 4.474 1.960 -42.625 1.00 0.00 C ATOM 736 CZ PHE A1817 4.193 1.693 -41.274 1.00 0.00 C ATOM 0 H PHE A1817 -0.361 0.269 -46.029 1.00 0.00 H new ATOM 0 HA PHE A1817 -0.474 0.753 -43.285 1.00 0.00 H new ATOM 0 HB2 PHE A1817 1.247 -0.608 -44.317 1.00 0.00 H new ATOM 0 HB3 PHE A1817 1.787 0.723 -45.320 1.00 0.00 H new ATOM 0 HD1 PHE A1817 1.233 0.053 -41.647 1.00 0.00 H new ATOM 0 HD2 PHE A1817 3.800 1.739 -44.661 1.00 0.00 H new ATOM 0 HE1 PHE A1817 2.816 0.797 -39.883 1.00 0.00 H new ATOM 0 HE2 PHE A1817 5.377 2.487 -42.895 1.00 0.00 H new ATOM 0 HZ PHE A1817 4.879 2.019 -40.506 1.00 0.00 H new ATOM 746 N ALA A1818 0.502 3.423 -44.991 1.00 0.00 N ATOM 747 CA ALA A1818 0.620 4.883 -44.996 1.00 0.00 C ATOM 748 C ALA A1818 -0.650 5.607 -44.500 1.00 0.00 C ATOM 749 O ALA A1818 -0.548 6.688 -43.917 1.00 0.00 O ATOM 750 CB ALA A1818 0.984 5.328 -46.420 1.00 0.00 C ATOM 0 H ALA A1818 0.712 3.013 -45.901 1.00 0.00 H new ATOM 0 HA ALA A1818 1.401 5.162 -44.289 1.00 0.00 H new ATOM 0 HB1 ALA A1818 1.078 6.414 -46.449 1.00 0.00 H new ATOM 0 HB2 ALA A1818 1.931 4.874 -46.712 1.00 0.00 H new ATOM 0 HB3 ALA A1818 0.202 5.013 -47.111 1.00 0.00 H new ATOM 756 N ASP A1819 -1.831 5.012 -44.688 1.00 0.00 N ATOM 757 CA ASP A1819 -3.131 5.529 -44.244 1.00 0.00 C ATOM 758 C ASP A1819 -3.641 4.915 -42.919 1.00 0.00 C ATOM 759 O ASP A1819 -4.676 5.331 -42.400 1.00 0.00 O ATOM 760 CB ASP A1819 -4.146 5.348 -45.381 1.00 0.00 C ATOM 761 CG ASP A1819 -5.479 6.074 -45.132 1.00 0.00 C ATOM 762 OD1 ASP A1819 -5.463 7.302 -44.863 1.00 0.00 O ATOM 763 OD2 ASP A1819 -6.549 5.431 -45.249 1.00 0.00 O ATOM 0 H ASP A1819 -1.912 4.119 -45.174 1.00 0.00 H new ATOM 0 HA ASP A1819 -3.002 6.587 -44.016 1.00 0.00 H new ATOM 0 HB2 ASP A1819 -3.709 5.715 -46.310 1.00 0.00 H new ATOM 0 HB3 ASP A1819 -4.340 4.284 -45.519 1.00 0.00 H new ATOM 768 N ALA A1820 -2.927 3.950 -42.334 1.00 0.00 N ATOM 769 CA ALA A1820 -3.277 3.327 -41.050 1.00 0.00 C ATOM 770 C ALA A1820 -2.610 4.017 -39.840 1.00 0.00 C ATOM 771 O ALA A1820 -3.048 3.854 -38.699 1.00 0.00 O ATOM 772 CB ALA A1820 -2.907 1.844 -41.132 1.00 0.00 C ATOM 0 H ALA A1820 -2.074 3.571 -42.745 1.00 0.00 H new ATOM 0 HA ALA A1820 -4.348 3.442 -40.881 1.00 0.00 H new ATOM 0 HB1 ALA A1820 -3.156 1.354 -40.191 1.00 0.00 H new ATOM 0 HB2 ALA A1820 -3.463 1.375 -41.943 1.00 0.00 H new ATOM 0 HB3 ALA A1820 -1.838 1.746 -41.320 1.00 0.00 H new ATOM 778 N LEU A1821 -1.552 4.793 -40.086 1.00 0.00 N ATOM 779 CA LEU A1821 -0.766 5.537 -39.095 1.00 0.00 C ATOM 780 C LEU A1821 -1.509 6.778 -38.556 1.00 0.00 C ATOM 781 O LEU A1821 -2.454 7.286 -39.166 1.00 0.00 O ATOM 782 CB LEU A1821 0.559 5.956 -39.763 1.00 0.00 C ATOM 783 CG LEU A1821 1.461 4.754 -40.111 1.00 0.00 C ATOM 784 CD1 LEU A1821 2.301 5.073 -41.341 1.00 0.00 C ATOM 785 CD2 LEU A1821 2.392 4.384 -38.964 1.00 0.00 C ATOM 0 H LEU A1821 -1.200 4.928 -41.034 1.00 0.00 H new ATOM 0 HA LEU A1821 -0.587 4.892 -38.234 1.00 0.00 H new ATOM 0 HB2 LEU A1821 0.341 6.516 -40.673 1.00 0.00 H new ATOM 0 HB3 LEU A1821 1.099 6.629 -39.097 1.00 0.00 H new ATOM 0 HG LEU A1821 0.804 3.906 -40.306 1.00 0.00 H new ATOM 0 HD11 LEU A1821 2.935 4.219 -41.580 1.00 0.00 H new ATOM 0 HD12 LEU A1821 1.645 5.285 -42.185 1.00 0.00 H new ATOM 0 HD13 LEU A1821 2.925 5.943 -41.139 1.00 0.00 H new ATOM 0 HD21 LEU A1821 3.007 3.533 -39.255 1.00 0.00 H new ATOM 0 HD22 LEU A1821 3.034 5.233 -38.729 1.00 0.00 H new ATOM 0 HD23 LEU A1821 1.801 4.121 -38.086 1.00 0.00 H new ATOM 797 N SER A1822 -1.022 7.320 -37.438 1.00 0.00 N ATOM 798 CA SER A1822 -1.354 8.671 -36.964 1.00 0.00 C ATOM 799 C SER A1822 -0.430 9.715 -37.611 1.00 0.00 C ATOM 800 O SER A1822 0.667 9.403 -38.084 1.00 0.00 O ATOM 801 CB SER A1822 -1.210 8.746 -35.439 1.00 0.00 C ATOM 802 OG SER A1822 -2.065 7.813 -34.791 1.00 0.00 O ATOM 0 H SER A1822 -0.374 6.826 -36.824 1.00 0.00 H new ATOM 0 HA SER A1822 -2.385 8.885 -37.245 1.00 0.00 H new ATOM 0 HB2 SER A1822 -0.175 8.549 -35.160 1.00 0.00 H new ATOM 0 HB3 SER A1822 -1.445 9.755 -35.099 1.00 0.00 H new ATOM 0 HG SER A1822 -1.950 7.883 -33.820 1.00 0.00 H new ATOM 808 N GLU A1823 -0.852 10.976 -37.629 1.00 0.00 N ATOM 809 CA GLU A1823 0.007 12.112 -37.990 1.00 0.00 C ATOM 810 C GLU A1823 1.212 12.229 -37.019 1.00 0.00 C ATOM 811 O GLU A1823 1.096 11.834 -35.853 1.00 0.00 O ATOM 812 CB GLU A1823 -0.830 13.406 -37.972 1.00 0.00 C ATOM 813 CG GLU A1823 -1.867 13.447 -39.106 1.00 0.00 C ATOM 814 CD GLU A1823 -2.699 14.742 -39.046 1.00 0.00 C ATOM 815 OE1 GLU A1823 -2.266 15.778 -39.613 1.00 0.00 O ATOM 816 OE2 GLU A1823 -3.793 14.735 -38.432 1.00 0.00 O ATOM 0 H GLU A1823 -1.807 11.246 -37.392 1.00 0.00 H new ATOM 0 HA GLU A1823 0.405 11.951 -38.992 1.00 0.00 H new ATOM 0 HB2 GLU A1823 -1.340 13.492 -37.013 1.00 0.00 H new ATOM 0 HB3 GLU A1823 -0.166 14.266 -38.058 1.00 0.00 H new ATOM 0 HG2 GLU A1823 -1.361 13.380 -40.069 1.00 0.00 H new ATOM 0 HG3 GLU A1823 -2.527 12.583 -39.032 1.00 0.00 H new ATOM 823 N PRO A1824 2.363 12.787 -37.450 1.00 0.00 N ATOM 824 CA PRO A1824 2.655 13.330 -38.783 1.00 0.00 C ATOM 825 C PRO A1824 3.102 12.289 -39.833 1.00 0.00 C ATOM 826 O PRO A1824 3.224 12.629 -41.010 1.00 0.00 O ATOM 827 CB PRO A1824 3.773 14.343 -38.519 1.00 0.00 C ATOM 828 CG PRO A1824 4.589 13.657 -37.417 1.00 0.00 C ATOM 829 CD PRO A1824 3.496 13.024 -36.567 1.00 0.00 C ATOM 0 HA PRO A1824 1.751 13.751 -39.224 1.00 0.00 H new ATOM 0 HB2 PRO A1824 4.371 14.529 -39.411 1.00 0.00 H new ATOM 0 HB3 PRO A1824 3.380 15.306 -38.193 1.00 0.00 H new ATOM 0 HG2 PRO A1824 5.276 12.913 -37.820 1.00 0.00 H new ATOM 0 HG3 PRO A1824 5.188 14.369 -36.849 1.00 0.00 H new ATOM 0 HD2 PRO A1824 3.843 12.091 -36.123 1.00 0.00 H new ATOM 0 HD3 PRO A1824 3.215 13.682 -35.745 1.00 0.00 H new ATOM 837 N LEU A1825 3.355 11.031 -39.436 1.00 0.00 N ATOM 838 CA LEU A1825 3.846 9.972 -40.333 1.00 0.00 C ATOM 839 C LEU A1825 2.793 9.505 -41.364 1.00 0.00 C ATOM 840 O LEU A1825 3.144 9.037 -42.447 1.00 0.00 O ATOM 841 CB LEU A1825 4.368 8.771 -39.520 1.00 0.00 C ATOM 842 CG LEU A1825 5.444 9.104 -38.461 1.00 0.00 C ATOM 843 CD1 LEU A1825 5.951 7.820 -37.799 1.00 0.00 C ATOM 844 CD2 LEU A1825 6.657 9.828 -39.057 1.00 0.00 C ATOM 0 H LEU A1825 3.223 10.718 -38.474 1.00 0.00 H new ATOM 0 HA LEU A1825 4.665 10.411 -40.902 1.00 0.00 H new ATOM 0 HB2 LEU A1825 3.523 8.299 -39.019 1.00 0.00 H new ATOM 0 HB3 LEU A1825 4.779 8.036 -40.212 1.00 0.00 H new ATOM 0 HG LEU A1825 4.963 9.761 -37.737 1.00 0.00 H new ATOM 0 HD11 LEU A1825 6.708 8.069 -37.055 1.00 0.00 H new ATOM 0 HD12 LEU A1825 5.120 7.308 -37.314 1.00 0.00 H new ATOM 0 HD13 LEU A1825 6.386 7.168 -38.556 1.00 0.00 H new ATOM 0 HD21 LEU A1825 7.380 10.037 -38.268 1.00 0.00 H new ATOM 0 HD22 LEU A1825 7.120 9.198 -39.816 1.00 0.00 H new ATOM 0 HD23 LEU A1825 6.335 10.765 -39.511 1.00 0.00 H new ATOM 856 N ARG A1826 1.507 9.678 -41.045 1.00 0.00 N ATOM 857 CA ARG A1826 0.329 9.486 -41.908 1.00 0.00 C ATOM 858 C ARG A1826 0.434 10.215 -43.257 1.00 0.00 C ATOM 859 O ARG A1826 0.689 11.422 -43.288 1.00 0.00 O ATOM 860 CB ARG A1826 -0.883 9.971 -41.093 1.00 0.00 C ATOM 861 CG ARG A1826 -2.260 9.983 -41.766 1.00 0.00 C ATOM 862 CD ARG A1826 -2.647 8.595 -42.286 1.00 0.00 C ATOM 863 NE ARG A1826 -4.079 8.469 -42.597 1.00 0.00 N ATOM 864 CZ ARG A1826 -5.083 8.273 -41.760 1.00 0.00 C ATOM 865 NH1 ARG A1826 -4.930 8.203 -40.466 1.00 0.00 N ATOM 866 NH2 ARG A1826 -6.280 8.125 -42.249 1.00 0.00 N ATOM 0 H ARG A1826 1.238 9.978 -40.108 1.00 0.00 H new ATOM 0 HA ARG A1826 0.237 8.434 -42.180 1.00 0.00 H new ATOM 0 HB2 ARG A1826 -0.955 9.347 -40.202 1.00 0.00 H new ATOM 0 HB3 ARG A1826 -0.671 10.985 -40.755 1.00 0.00 H new ATOM 0 HG2 ARG A1826 -3.010 10.327 -41.054 1.00 0.00 H new ATOM 0 HG3 ARG A1826 -2.255 10.693 -42.593 1.00 0.00 H new ATOM 0 HD2 ARG A1826 -2.067 8.376 -43.182 1.00 0.00 H new ATOM 0 HD3 ARG A1826 -2.377 7.847 -41.541 1.00 0.00 H new ATOM 0 HE ARG A1826 -4.329 8.542 -43.583 1.00 0.00 H new ATOM 0 HH11 ARG A1826 -4.001 8.301 -40.056 1.00 0.00 H new ATOM 0 HH12 ARG A1826 -5.739 8.050 -39.864 1.00 0.00 H new ATOM 0 HH21 ARG A1826 -6.427 8.161 -43.258 1.00 0.00 H new ATOM 0 HH22 ARG A1826 -7.071 7.972 -41.624 1.00 0.00 H new ATOM 880 N ILE A1827 0.130 9.511 -44.351 1.00 0.00 N ATOM 881 CA ILE A1827 -0.169 10.067 -45.682 1.00 0.00 C ATOM 882 C ILE A1827 -1.596 9.639 -46.052 1.00 0.00 C ATOM 883 O ILE A1827 -1.821 8.520 -46.525 1.00 0.00 O ATOM 884 CB ILE A1827 0.869 9.667 -46.765 1.00 0.00 C ATOM 885 CG1 ILE A1827 2.335 9.898 -46.330 1.00 0.00 C ATOM 886 CG2 ILE A1827 0.608 10.490 -48.039 1.00 0.00 C ATOM 887 CD1 ILE A1827 2.982 8.639 -45.745 1.00 0.00 C ATOM 0 H ILE A1827 0.082 8.492 -44.337 1.00 0.00 H new ATOM 0 HA ILE A1827 -0.100 11.154 -45.640 1.00 0.00 H new ATOM 0 HB ILE A1827 0.744 8.598 -46.936 1.00 0.00 H new ATOM 0 HG12 ILE A1827 2.916 10.235 -47.189 1.00 0.00 H new ATOM 0 HG13 ILE A1827 2.369 10.697 -45.589 1.00 0.00 H new ATOM 0 HG21 ILE A1827 1.333 10.215 -48.805 1.00 0.00 H new ATOM 0 HG22 ILE A1827 -0.399 10.287 -48.403 1.00 0.00 H new ATOM 0 HG23 ILE A1827 0.705 11.552 -47.812 1.00 0.00 H new ATOM 0 HD11 ILE A1827 4.010 8.859 -45.457 1.00 0.00 H new ATOM 0 HD12 ILE A1827 2.421 8.315 -44.869 1.00 0.00 H new ATOM 0 HD13 ILE A1827 2.977 7.846 -46.493 1.00 0.00 H new ATOM 899 N ALA A1828 -2.574 10.496 -45.755 1.00 0.00 N ATOM 900 CA ALA A1828 -3.998 10.210 -45.968 1.00 0.00 C ATOM 901 C ALA A1828 -4.335 9.985 -47.455 1.00 0.00 C ATOM 902 O ALA A1828 -3.802 10.680 -48.333 1.00 0.00 O ATOM 903 CB ALA A1828 -4.821 11.347 -45.364 1.00 0.00 C ATOM 0 H ALA A1828 -2.400 11.418 -45.356 1.00 0.00 H new ATOM 0 HA ALA A1828 -4.249 9.275 -45.467 1.00 0.00 H new ATOM 0 HB1 ALA A1828 -5.882 11.148 -45.515 1.00 0.00 H new ATOM 0 HB2 ALA A1828 -4.613 11.419 -44.296 1.00 0.00 H new ATOM 0 HB3 ALA A1828 -4.555 12.286 -45.849 1.00 0.00 H new ATOM 909 N LYS A1829 -5.220 9.024 -47.751 1.00 0.00 N ATOM 910 CA LYS A1829 -5.635 8.681 -49.127 1.00 0.00 C ATOM 911 C LYS A1829 -6.368 9.839 -49.848 1.00 0.00 C ATOM 912 O LYS A1829 -7.033 10.639 -49.179 1.00 0.00 O ATOM 913 CB LYS A1829 -6.513 7.414 -49.116 1.00 0.00 C ATOM 914 CG LYS A1829 -5.672 6.147 -48.915 1.00 0.00 C ATOM 915 CD LYS A1829 -6.566 4.898 -48.883 1.00 0.00 C ATOM 916 CE LYS A1829 -5.723 3.637 -48.650 1.00 0.00 C ATOM 917 NZ LYS A1829 -6.583 2.427 -48.619 1.00 0.00 N ATOM 0 H LYS A1829 -5.675 8.454 -47.038 1.00 0.00 H new ATOM 0 HA LYS A1829 -4.723 8.492 -49.693 1.00 0.00 H new ATOM 0 HB2 LYS A1829 -7.253 7.490 -48.320 1.00 0.00 H new ATOM 0 HB3 LYS A1829 -7.061 7.342 -50.055 1.00 0.00 H new ATOM 0 HG2 LYS A1829 -4.943 6.057 -49.720 1.00 0.00 H new ATOM 0 HG3 LYS A1829 -5.110 6.222 -47.984 1.00 0.00 H new ATOM 0 HD2 LYS A1829 -7.309 4.996 -48.092 1.00 0.00 H new ATOM 0 HD3 LYS A1829 -7.111 4.810 -49.823 1.00 0.00 H new ATOM 0 HE2 LYS A1829 -4.979 3.540 -49.441 1.00 0.00 H new ATOM 0 HE3 LYS A1829 -5.179 3.726 -47.710 1.00 0.00 H new ATOM 0 HZ1 LYS A1829 -6.029 1.616 -48.278 1.00 0.00 H new ATOM 0 HZ2 LYS A1829 -7.388 2.589 -47.980 1.00 0.00 H new ATOM 0 HZ3 LYS A1829 -6.936 2.227 -49.577 1.00 0.00 H new ATOM 931 N PRO A1830 -6.315 9.912 -51.195 1.00 0.00 N ATOM 932 CA PRO A1830 -5.493 9.088 -52.094 1.00 0.00 C ATOM 933 C PRO A1830 -3.999 9.448 -51.975 1.00 0.00 C ATOM 934 O PRO A1830 -3.616 10.613 -52.088 1.00 0.00 O ATOM 935 CB PRO A1830 -6.038 9.359 -53.499 1.00 0.00 C ATOM 936 CG PRO A1830 -6.603 10.776 -53.411 1.00 0.00 C ATOM 937 CD PRO A1830 -7.109 10.858 -51.967 1.00 0.00 C ATOM 0 HA PRO A1830 -5.552 8.029 -51.844 1.00 0.00 H new ATOM 0 HB2 PRO A1830 -5.253 9.289 -54.252 1.00 0.00 H new ATOM 0 HB3 PRO A1830 -6.809 8.639 -53.774 1.00 0.00 H new ATOM 0 HG2 PRO A1830 -5.840 11.528 -53.614 1.00 0.00 H new ATOM 0 HG3 PRO A1830 -7.407 10.935 -54.130 1.00 0.00 H new ATOM 0 HD2 PRO A1830 -6.998 11.869 -51.574 1.00 0.00 H new ATOM 0 HD3 PRO A1830 -8.169 10.610 -51.913 1.00 0.00 H new ATOM 945 N ASN A1831 -3.152 8.441 -51.723 1.00 0.00 N ATOM 946 CA ASN A1831 -1.731 8.610 -51.371 1.00 0.00 C ATOM 947 C ASN A1831 -0.729 7.966 -52.346 1.00 0.00 C ATOM 948 O ASN A1831 0.474 8.182 -52.204 1.00 0.00 O ATOM 949 CB ASN A1831 -1.512 8.154 -49.920 1.00 0.00 C ATOM 950 CG ASN A1831 -1.813 6.689 -49.646 1.00 0.00 C ATOM 951 OD1 ASN A1831 -1.868 5.852 -50.532 1.00 0.00 O ATOM 952 ND2 ASN A1831 -2.013 6.342 -48.400 1.00 0.00 N ATOM 0 H ASN A1831 -3.440 7.463 -51.758 1.00 0.00 H new ATOM 0 HA ASN A1831 -1.512 9.674 -51.463 1.00 0.00 H new ATOM 0 HB2 ASN A1831 -0.475 8.352 -49.647 1.00 0.00 H new ATOM 0 HB3 ASN A1831 -2.136 8.764 -49.267 1.00 0.00 H new ATOM 0 HD21 ASN A1831 -2.215 5.370 -48.168 1.00 0.00 H new ATOM 0 HD22 ASN A1831 -1.966 7.044 -47.661 1.00 0.00 H new ATOM 959 N GLN A1832 -1.182 7.239 -53.373 1.00 0.00 N ATOM 960 CA GLN A1832 -0.331 6.590 -54.382 1.00 0.00 C ATOM 961 C GLN A1832 0.663 7.553 -55.042 1.00 0.00 C ATOM 962 O GLN A1832 1.863 7.282 -55.084 1.00 0.00 O ATOM 963 CB GLN A1832 -1.231 5.899 -55.424 1.00 0.00 C ATOM 964 CG GLN A1832 -0.423 5.362 -56.609 1.00 0.00 C ATOM 965 CD GLN A1832 -1.284 4.561 -57.580 1.00 0.00 C ATOM 966 OE1 GLN A1832 -1.881 5.090 -58.510 1.00 0.00 O ATOM 967 NE2 GLN A1832 -1.390 3.259 -57.401 1.00 0.00 N ATOM 0 H GLN A1832 -2.177 7.080 -53.532 1.00 0.00 H new ATOM 0 HA GLN A1832 0.286 5.846 -53.878 1.00 0.00 H new ATOM 0 HB2 GLN A1832 -1.771 5.079 -54.951 1.00 0.00 H new ATOM 0 HB3 GLN A1832 -1.978 6.606 -55.784 1.00 0.00 H new ATOM 0 HG2 GLN A1832 0.039 6.195 -57.139 1.00 0.00 H new ATOM 0 HG3 GLN A1832 0.386 4.732 -56.239 1.00 0.00 H new ATOM 0 HE21 GLN A1832 -0.897 2.808 -56.630 1.00 0.00 H new ATOM 0 HE22 GLN A1832 -1.965 2.702 -58.034 1.00 0.00 H new ATOM 976 N ILE A1833 0.186 8.688 -55.551 1.00 0.00 N ATOM 977 CA ILE A1833 1.019 9.703 -56.225 1.00 0.00 C ATOM 978 C ILE A1833 2.036 10.308 -55.241 1.00 0.00 C ATOM 979 O ILE A1833 3.151 10.667 -55.621 1.00 0.00 O ATOM 980 CB ILE A1833 0.131 10.798 -56.857 1.00 0.00 C ATOM 981 CG1 ILE A1833 -0.974 10.238 -57.792 1.00 0.00 C ATOM 982 CG2 ILE A1833 0.970 11.833 -57.622 1.00 0.00 C ATOM 983 CD1 ILE A1833 -0.479 9.340 -58.935 1.00 0.00 C ATOM 0 H ILE A1833 -0.802 8.939 -55.510 1.00 0.00 H new ATOM 0 HA ILE A1833 1.577 9.220 -57.027 1.00 0.00 H new ATOM 0 HB ILE A1833 -0.367 11.280 -56.015 1.00 0.00 H new ATOM 0 HG12 ILE A1833 -1.683 9.671 -57.189 1.00 0.00 H new ATOM 0 HG13 ILE A1833 -1.521 11.077 -58.223 1.00 0.00 H new ATOM 0 HG21 ILE A1833 0.312 12.588 -58.053 1.00 0.00 H new ATOM 0 HG22 ILE A1833 1.671 12.311 -56.938 1.00 0.00 H new ATOM 0 HG23 ILE A1833 1.523 11.336 -58.419 1.00 0.00 H new ATOM 0 HD11 ILE A1833 -1.330 9.003 -59.527 1.00 0.00 H new ATOM 0 HD12 ILE A1833 0.205 9.903 -59.570 1.00 0.00 H new ATOM 0 HD13 ILE A1833 0.040 8.476 -58.520 1.00 0.00 H new ATOM 995 N SER A1834 1.671 10.356 -53.960 1.00 0.00 N ATOM 996 CA SER A1834 2.520 10.868 -52.880 1.00 0.00 C ATOM 997 C SER A1834 3.660 9.907 -52.544 1.00 0.00 C ATOM 998 O SER A1834 4.796 10.350 -52.363 1.00 0.00 O ATOM 999 CB SER A1834 1.669 11.145 -51.635 1.00 0.00 C ATOM 1000 OG SER A1834 2.361 12.047 -50.792 1.00 0.00 O ATOM 0 H SER A1834 0.759 10.034 -53.636 1.00 0.00 H new ATOM 0 HA SER A1834 2.973 11.798 -53.224 1.00 0.00 H new ATOM 0 HB2 SER A1834 0.705 11.564 -51.924 1.00 0.00 H new ATOM 0 HB3 SER A1834 1.466 10.215 -51.104 1.00 0.00 H new ATOM 0 HG SER A1834 1.821 12.229 -49.995 1.00 0.00 H new ATOM 1006 N LEU A1835 3.404 8.590 -52.542 1.00 0.00 N ATOM 1007 CA LEU A1835 4.424 7.536 -52.457 1.00 0.00 C ATOM 1008 C LEU A1835 5.345 7.520 -53.691 1.00 0.00 C ATOM 1009 O LEU A1835 6.558 7.390 -53.548 1.00 0.00 O ATOM 1010 CB LEU A1835 3.769 6.154 -52.281 1.00 0.00 C ATOM 1011 CG LEU A1835 2.928 5.955 -51.005 1.00 0.00 C ATOM 1012 CD1 LEU A1835 2.328 4.546 -51.044 1.00 0.00 C ATOM 1013 CD2 LEU A1835 3.749 6.089 -49.728 1.00 0.00 C ATOM 0 H LEU A1835 2.455 8.220 -52.601 1.00 0.00 H new ATOM 0 HA LEU A1835 5.036 7.760 -51.583 1.00 0.00 H new ATOM 0 HB2 LEU A1835 3.131 5.965 -53.144 1.00 0.00 H new ATOM 0 HB3 LEU A1835 4.555 5.399 -52.294 1.00 0.00 H new ATOM 0 HG LEU A1835 2.163 6.731 -50.988 1.00 0.00 H new ATOM 0 HD11 LEU A1835 1.727 4.381 -50.149 1.00 0.00 H new ATOM 0 HD12 LEU A1835 1.698 4.443 -51.928 1.00 0.00 H new ATOM 0 HD13 LEU A1835 3.131 3.810 -51.083 1.00 0.00 H new ATOM 0 HD21 LEU A1835 3.103 5.939 -48.863 1.00 0.00 H new ATOM 0 HD22 LEU A1835 4.541 5.340 -49.724 1.00 0.00 H new ATOM 0 HD23 LEU A1835 4.191 7.084 -49.682 1.00 0.00 H new ATOM 1025 N ILE A1836 4.798 7.704 -54.900 1.00 0.00 N ATOM 1026 CA ILE A1836 5.581 7.797 -56.148 1.00 0.00 C ATOM 1027 C ILE A1836 6.563 8.990 -56.120 1.00 0.00 C ATOM 1028 O ILE A1836 7.669 8.897 -56.658 1.00 0.00 O ATOM 1029 CB ILE A1836 4.631 7.815 -57.375 1.00 0.00 C ATOM 1030 CG1 ILE A1836 3.990 6.415 -57.547 1.00 0.00 C ATOM 1031 CG2 ILE A1836 5.347 8.219 -58.676 1.00 0.00 C ATOM 1032 CD1 ILE A1836 2.801 6.381 -58.512 1.00 0.00 C ATOM 0 H ILE A1836 3.792 7.794 -55.045 1.00 0.00 H new ATOM 0 HA ILE A1836 6.206 6.909 -56.238 1.00 0.00 H new ATOM 0 HB ILE A1836 3.866 8.567 -57.184 1.00 0.00 H new ATOM 0 HG12 ILE A1836 4.751 5.721 -57.902 1.00 0.00 H new ATOM 0 HG13 ILE A1836 3.662 6.056 -56.572 1.00 0.00 H new ATOM 0 HG21 ILE A1836 4.634 8.214 -59.500 1.00 0.00 H new ATOM 0 HG22 ILE A1836 5.767 9.219 -58.565 1.00 0.00 H new ATOM 0 HG23 ILE A1836 6.148 7.510 -58.885 1.00 0.00 H new ATOM 0 HD11 ILE A1836 2.412 5.365 -58.574 1.00 0.00 H new ATOM 0 HD12 ILE A1836 2.019 7.047 -58.149 1.00 0.00 H new ATOM 0 HD13 ILE A1836 3.125 6.707 -59.500 1.00 0.00 H new ATOM 1044 N ASN A1837 6.201 10.091 -55.451 1.00 0.00 N ATOM 1045 CA ASN A1837 7.082 11.246 -55.200 1.00 0.00 C ATOM 1046 C ASN A1837 8.184 11.008 -54.135 1.00 0.00 C ATOM 1047 O ASN A1837 9.089 11.842 -54.014 1.00 0.00 O ATOM 1048 CB ASN A1837 6.210 12.474 -54.860 1.00 0.00 C ATOM 1049 CG ASN A1837 5.764 13.206 -56.119 1.00 0.00 C ATOM 1050 OD1 ASN A1837 6.395 14.152 -56.574 1.00 0.00 O ATOM 1051 ND2 ASN A1837 4.683 12.792 -56.735 1.00 0.00 N ATOM 0 H ASN A1837 5.267 10.210 -55.059 1.00 0.00 H new ATOM 0 HA ASN A1837 7.644 11.422 -56.117 1.00 0.00 H new ATOM 0 HB2 ASN A1837 5.335 12.155 -54.294 1.00 0.00 H new ATOM 0 HB3 ASN A1837 6.772 13.155 -54.221 1.00 0.00 H new ATOM 0 HD21 ASN A1837 4.372 13.257 -57.588 1.00 0.00 H new ATOM 0 HD22 ASN A1837 4.153 12.005 -56.361 1.00 0.00 H new ATOM 1058 N MET A1838 8.152 9.916 -53.357 1.00 0.00 N ATOM 1059 CA MET A1838 9.241 9.530 -52.447 1.00 0.00 C ATOM 1060 C MET A1838 10.388 8.810 -53.186 1.00 0.00 C ATOM 1061 O MET A1838 10.270 8.407 -54.345 1.00 0.00 O ATOM 1062 CB MET A1838 8.709 8.619 -51.325 1.00 0.00 C ATOM 1063 CG MET A1838 7.625 9.264 -50.462 1.00 0.00 C ATOM 1064 SD MET A1838 6.997 8.171 -49.158 1.00 0.00 S ATOM 1065 CE MET A1838 5.731 9.253 -48.443 1.00 0.00 C ATOM 0 H MET A1838 7.363 9.270 -53.342 1.00 0.00 H new ATOM 0 HA MET A1838 9.637 10.451 -52.020 1.00 0.00 H new ATOM 0 HB2 MET A1838 8.310 7.707 -51.770 1.00 0.00 H new ATOM 0 HB3 MET A1838 9.541 8.324 -50.685 1.00 0.00 H new ATOM 0 HG2 MET A1838 8.025 10.169 -50.005 1.00 0.00 H new ATOM 0 HG3 MET A1838 6.796 9.569 -51.101 1.00 0.00 H new ATOM 0 HE1 MET A1838 5.109 8.680 -47.756 1.00 0.00 H new ATOM 0 HE2 MET A1838 6.212 10.068 -47.903 1.00 0.00 H new ATOM 0 HE3 MET A1838 5.110 9.662 -49.240 1.00 0.00 H new ATOM 1075 N ASP A1839 11.498 8.592 -52.475 1.00 0.00 N ATOM 1076 CA ASP A1839 12.709 7.891 -52.942 1.00 0.00 C ATOM 1077 C ASP A1839 12.704 6.384 -52.592 1.00 0.00 C ATOM 1078 O ASP A1839 13.749 5.728 -52.579 1.00 0.00 O ATOM 1079 CB ASP A1839 13.931 8.627 -52.363 1.00 0.00 C ATOM 1080 CG ASP A1839 15.260 8.219 -53.033 1.00 0.00 C ATOM 1081 OD1 ASP A1839 15.352 8.258 -54.284 1.00 0.00 O ATOM 1082 OD2 ASP A1839 16.239 7.922 -52.305 1.00 0.00 O ATOM 0 H ASP A1839 11.586 8.913 -51.511 1.00 0.00 H new ATOM 0 HA ASP A1839 12.745 7.916 -54.031 1.00 0.00 H new ATOM 0 HB2 ASP A1839 13.788 9.701 -52.478 1.00 0.00 H new ATOM 0 HB3 ASP A1839 13.994 8.427 -51.293 1.00 0.00 H new ATOM 1087 N LEU A1840 11.532 5.820 -52.267 1.00 0.00 N ATOM 1088 CA LEU A1840 11.326 4.432 -51.818 1.00 0.00 C ATOM 1089 C LEU A1840 11.989 3.386 -52.750 1.00 0.00 C ATOM 1090 O LEU A1840 11.665 3.349 -53.942 1.00 0.00 O ATOM 1091 CB LEU A1840 9.815 4.150 -51.720 1.00 0.00 C ATOM 1092 CG LEU A1840 9.087 4.907 -50.596 1.00 0.00 C ATOM 1093 CD1 LEU A1840 7.579 4.813 -50.827 1.00 0.00 C ATOM 1094 CD2 LEU A1840 9.393 4.328 -49.216 1.00 0.00 C ATOM 0 H LEU A1840 10.658 6.344 -52.312 1.00 0.00 H new ATOM 0 HA LEU A1840 11.804 4.335 -50.843 1.00 0.00 H new ATOM 0 HB2 LEU A1840 9.350 4.407 -52.672 1.00 0.00 H new ATOM 0 HB3 LEU A1840 9.669 3.080 -51.572 1.00 0.00 H new ATOM 0 HG LEU A1840 9.434 5.940 -50.620 1.00 0.00 H new ATOM 0 HD11 LEU A1840 7.055 5.347 -50.034 1.00 0.00 H new ATOM 0 HD12 LEU A1840 7.330 5.258 -51.790 1.00 0.00 H new ATOM 0 HD13 LEU A1840 7.275 3.766 -50.821 1.00 0.00 H new ATOM 0 HD21 LEU A1840 8.856 4.896 -48.456 1.00 0.00 H new ATOM 0 HD22 LEU A1840 9.077 3.285 -49.181 1.00 0.00 H new ATOM 0 HD23 LEU A1840 10.464 4.389 -49.025 1.00 0.00 H new ATOM 1106 N PRO A1841 12.901 2.529 -52.245 1.00 0.00 N ATOM 1107 CA PRO A1841 13.526 1.456 -53.028 1.00 0.00 C ATOM 1108 C PRO A1841 12.570 0.267 -53.237 1.00 0.00 C ATOM 1109 O PRO A1841 11.487 0.204 -52.649 1.00 0.00 O ATOM 1110 CB PRO A1841 14.758 1.050 -52.211 1.00 0.00 C ATOM 1111 CG PRO A1841 14.281 1.246 -50.772 1.00 0.00 C ATOM 1112 CD PRO A1841 13.386 2.482 -50.869 1.00 0.00 C ATOM 0 HA PRO A1841 13.788 1.787 -54.033 1.00 0.00 H new ATOM 0 HB2 PRO A1841 15.051 0.018 -52.404 1.00 0.00 H new ATOM 0 HB3 PRO A1841 15.621 1.675 -52.441 1.00 0.00 H new ATOM 0 HG2 PRO A1841 13.732 0.378 -50.408 1.00 0.00 H new ATOM 0 HG3 PRO A1841 15.115 1.405 -50.089 1.00 0.00 H new ATOM 0 HD2 PRO A1841 12.556 2.417 -50.166 1.00 0.00 H new ATOM 0 HD3 PRO A1841 13.943 3.386 -50.622 1.00 0.00 H new ATOM 1120 N MET A1842 12.994 -0.723 -54.031 1.00 0.00 N ATOM 1121 CA MET A1842 12.376 -2.056 -54.131 1.00 0.00 C ATOM 1122 C MET A1842 13.470 -3.136 -54.077 1.00 0.00 C ATOM 1123 O MET A1842 14.295 -3.246 -54.987 1.00 0.00 O ATOM 1124 CB MET A1842 11.493 -2.180 -55.381 1.00 0.00 C ATOM 1125 CG MET A1842 10.240 -1.304 -55.267 1.00 0.00 C ATOM 1126 SD MET A1842 9.070 -1.452 -56.639 1.00 0.00 S ATOM 1127 CE MET A1842 7.805 -0.299 -56.033 1.00 0.00 C ATOM 0 H MET A1842 13.803 -0.618 -54.643 1.00 0.00 H new ATOM 0 HA MET A1842 11.711 -2.202 -53.280 1.00 0.00 H new ATOM 0 HB2 MET A1842 12.064 -1.889 -56.263 1.00 0.00 H new ATOM 0 HB3 MET A1842 11.200 -3.221 -55.520 1.00 0.00 H new ATOM 0 HG2 MET A1842 9.723 -1.556 -54.341 1.00 0.00 H new ATOM 0 HG3 MET A1842 10.550 -0.262 -55.186 1.00 0.00 H new ATOM 0 HE1 MET A1842 6.815 -0.720 -56.209 1.00 0.00 H new ATOM 0 HE2 MET A1842 7.944 -0.135 -54.965 1.00 0.00 H new ATOM 0 HE3 MET A1842 7.895 0.650 -56.561 1.00 0.00 H new ATOM 1137 N VAL A1843 13.523 -3.886 -52.966 1.00 0.00 N ATOM 1138 CA VAL A1843 14.669 -4.735 -52.569 1.00 0.00 C ATOM 1139 C VAL A1843 14.858 -6.011 -53.401 1.00 0.00 C ATOM 1140 O VAL A1843 15.935 -6.614 -53.381 1.00 0.00 O ATOM 1141 CB VAL A1843 14.620 -5.095 -51.065 1.00 0.00 C ATOM 1142 CG1 VAL A1843 14.517 -3.827 -50.203 1.00 0.00 C ATOM 1143 CG2 VAL A1843 13.479 -6.048 -50.686 1.00 0.00 C ATOM 0 H VAL A1843 12.753 -3.924 -52.298 1.00 0.00 H new ATOM 0 HA VAL A1843 15.538 -4.110 -52.775 1.00 0.00 H new ATOM 0 HB VAL A1843 15.555 -5.619 -50.868 1.00 0.00 H new ATOM 0 HG11 VAL A1843 14.484 -4.105 -49.150 1.00 0.00 H new ATOM 0 HG12 VAL A1843 15.385 -3.193 -50.384 1.00 0.00 H new ATOM 0 HG13 VAL A1843 13.609 -3.283 -50.463 1.00 0.00 H new ATOM 0 HG21 VAL A1843 13.514 -6.251 -49.616 1.00 0.00 H new ATOM 0 HG22 VAL A1843 12.523 -5.589 -50.937 1.00 0.00 H new ATOM 0 HG23 VAL A1843 13.588 -6.983 -51.236 1.00 0.00 H new ATOM 1153 N SER A1844 13.822 -6.431 -54.132 1.00 0.00 N ATOM 1154 CA SER A1844 13.802 -7.639 -54.980 1.00 0.00 C ATOM 1155 C SER A1844 13.005 -7.447 -56.284 1.00 0.00 C ATOM 1156 O SER A1844 13.461 -7.838 -57.364 1.00 0.00 O ATOM 1157 CB SER A1844 13.242 -8.816 -54.172 1.00 0.00 C ATOM 1158 OG SER A1844 13.365 -10.030 -54.891 1.00 0.00 O ATOM 0 H SER A1844 12.937 -5.924 -54.154 1.00 0.00 H new ATOM 0 HA SER A1844 14.829 -7.846 -55.281 1.00 0.00 H new ATOM 0 HB2 SER A1844 13.773 -8.896 -53.223 1.00 0.00 H new ATOM 0 HB3 SER A1844 12.194 -8.634 -53.936 1.00 0.00 H new ATOM 0 HG SER A1844 13.003 -10.766 -54.355 1.00 0.00 H new ATOM 1164 N GLY A1845 11.843 -6.788 -56.208 1.00 0.00 N ATOM 1165 CA GLY A1845 11.041 -6.394 -57.379 1.00 0.00 C ATOM 1166 C GLY A1845 9.782 -5.582 -57.054 1.00 0.00 C ATOM 1167 O GLY A1845 9.452 -4.653 -57.795 1.00 0.00 O ATOM 0 H GLY A1845 11.425 -6.508 -55.321 1.00 0.00 H new ATOM 0 HA2 GLY A1845 11.669 -5.810 -58.052 1.00 0.00 H new ATOM 0 HA3 GLY A1845 10.746 -7.294 -57.919 1.00 0.00 H new ATOM 1171 N ASP A1846 9.095 -5.891 -55.946 1.00 0.00 N ATOM 1172 CA ASP A1846 7.820 -5.263 -55.534 1.00 0.00 C ATOM 1173 C ASP A1846 7.725 -4.968 -54.015 1.00 0.00 C ATOM 1174 O ASP A1846 6.669 -4.558 -53.527 1.00 0.00 O ATOM 1175 CB ASP A1846 6.648 -6.164 -55.970 1.00 0.00 C ATOM 1176 CG ASP A1846 6.496 -6.275 -57.495 1.00 0.00 C ATOM 1177 OD1 ASP A1846 5.891 -5.364 -58.117 1.00 0.00 O ATOM 1178 OD2 ASP A1846 6.949 -7.286 -58.080 1.00 0.00 O ATOM 0 H ASP A1846 9.415 -6.603 -55.290 1.00 0.00 H new ATOM 0 HA ASP A1846 7.773 -4.293 -56.030 1.00 0.00 H new ATOM 0 HB2 ASP A1846 6.792 -7.161 -55.553 1.00 0.00 H new ATOM 0 HB3 ASP A1846 5.722 -5.773 -55.548 1.00 0.00 H new ATOM 1183 N ARG A1847 8.809 -5.193 -53.255 1.00 0.00 N ATOM 1184 CA ARG A1847 8.831 -5.190 -51.778 1.00 0.00 C ATOM 1185 C ARG A1847 9.838 -4.192 -51.201 1.00 0.00 C ATOM 1186 O ARG A1847 10.863 -3.913 -51.824 1.00 0.00 O ATOM 1187 CB ARG A1847 9.081 -6.615 -51.258 1.00 0.00 C ATOM 1188 CG ARG A1847 7.955 -7.568 -51.699 1.00 0.00 C ATOM 1189 CD ARG A1847 8.091 -8.961 -51.079 1.00 0.00 C ATOM 1190 NE ARG A1847 6.944 -9.803 -51.466 1.00 0.00 N ATOM 1191 CZ ARG A1847 6.832 -11.115 -51.415 1.00 0.00 C ATOM 1192 NH1 ARG A1847 7.793 -11.895 -51.004 1.00 0.00 N ATOM 1193 NH2 ARG A1847 5.712 -11.660 -51.791 1.00 0.00 N ATOM 0 H ARG A1847 9.724 -5.388 -53.661 1.00 0.00 H new ATOM 0 HA ARG A1847 7.853 -4.854 -51.433 1.00 0.00 H new ATOM 0 HB2 ARG A1847 10.038 -6.980 -51.631 1.00 0.00 H new ATOM 0 HB3 ARG A1847 9.147 -6.603 -50.170 1.00 0.00 H new ATOM 0 HG2 ARG A1847 6.992 -7.142 -51.419 1.00 0.00 H new ATOM 0 HG3 ARG A1847 7.961 -7.655 -52.786 1.00 0.00 H new ATOM 0 HD2 ARG A1847 9.020 -9.425 -51.409 1.00 0.00 H new ATOM 0 HD3 ARG A1847 8.143 -8.881 -49.993 1.00 0.00 H new ATOM 0 HE ARG A1847 6.129 -9.303 -51.820 1.00 0.00 H new ATOM 0 HH11 ARG A1847 8.681 -11.494 -50.703 1.00 0.00 H new ATOM 0 HH12 ARG A1847 7.656 -12.906 -50.983 1.00 0.00 H new ATOM 0 HH21 ARG A1847 4.944 -11.074 -52.117 1.00 0.00 H new ATOM 0 HH22 ARG A1847 5.602 -12.674 -51.760 1.00 0.00 H new ATOM 1207 N ILE A1848 9.530 -3.642 -50.024 1.00 0.00 N ATOM 1208 CA ILE A1848 10.151 -2.428 -49.466 1.00 0.00 C ATOM 1209 C ILE A1848 10.398 -2.596 -47.958 1.00 0.00 C ATOM 1210 O ILE A1848 9.528 -3.060 -47.217 1.00 0.00 O ATOM 1211 CB ILE A1848 9.279 -1.176 -49.747 1.00 0.00 C ATOM 1212 CG1 ILE A1848 8.767 -1.052 -51.206 1.00 0.00 C ATOM 1213 CG2 ILE A1848 10.083 0.097 -49.426 1.00 0.00 C ATOM 1214 CD1 ILE A1848 7.417 -1.738 -51.453 1.00 0.00 C ATOM 0 H ILE A1848 8.819 -4.039 -49.410 1.00 0.00 H new ATOM 0 HA ILE A1848 11.112 -2.281 -49.958 1.00 0.00 H new ATOM 0 HB ILE A1848 8.404 -1.292 -49.108 1.00 0.00 H new ATOM 0 HG12 ILE A1848 8.678 0.004 -51.461 1.00 0.00 H new ATOM 0 HG13 ILE A1848 9.510 -1.481 -51.879 1.00 0.00 H new ATOM 0 HG21 ILE A1848 9.468 0.975 -49.624 1.00 0.00 H new ATOM 0 HG22 ILE A1848 10.375 0.088 -48.376 1.00 0.00 H new ATOM 0 HG23 ILE A1848 10.976 0.131 -50.050 1.00 0.00 H new ATOM 0 HD11 ILE A1848 7.127 -1.607 -52.496 1.00 0.00 H new ATOM 0 HD12 ILE A1848 7.504 -2.802 -51.232 1.00 0.00 H new ATOM 0 HD13 ILE A1848 6.660 -1.294 -50.807 1.00 0.00 H new ATOM 1226 N HIS A1849 11.601 -2.233 -47.519 1.00 0.00 N ATOM 1227 CA HIS A1849 12.115 -2.363 -46.152 1.00 0.00 C ATOM 1228 C HIS A1849 11.546 -1.319 -45.166 1.00 0.00 C ATOM 1229 O HIS A1849 11.384 -0.143 -45.504 1.00 0.00 O ATOM 1230 CB HIS A1849 13.640 -2.230 -46.264 1.00 0.00 C ATOM 1231 CG HIS A1849 14.413 -2.366 -44.981 1.00 0.00 C ATOM 1232 ND1 HIS A1849 15.369 -1.482 -44.541 1.00 0.00 N ATOM 1233 CD2 HIS A1849 14.371 -3.415 -44.100 1.00 0.00 C ATOM 1234 CE1 HIS A1849 15.903 -1.984 -43.409 1.00 0.00 C ATOM 1235 NE2 HIS A1849 15.318 -3.153 -43.096 1.00 0.00 N ATOM 0 H HIS A1849 12.288 -1.814 -48.145 1.00 0.00 H new ATOM 0 HA HIS A1849 11.805 -3.323 -45.738 1.00 0.00 H new ATOM 0 HB2 HIS A1849 14.000 -2.985 -46.963 1.00 0.00 H new ATOM 0 HB3 HIS A1849 13.868 -1.258 -46.700 1.00 0.00 H new ATOM 0 HD1 HIS A1849 15.628 -0.604 -44.990 1.00 0.00 H new ATOM 0 HD2 HIS A1849 13.730 -4.281 -44.165 1.00 0.00 H new ATOM 0 HE1 HIS A1849 16.688 -1.514 -42.836 1.00 0.00 H new ATOM 1243 N CYS A1850 11.293 -1.729 -43.916 1.00 0.00 N ATOM 1244 CA CYS A1850 10.693 -0.908 -42.856 1.00 0.00 C ATOM 1245 C CYS A1850 11.413 0.429 -42.600 1.00 0.00 C ATOM 1246 O CYS A1850 10.770 1.481 -42.589 1.00 0.00 O ATOM 1247 CB CYS A1850 10.551 -1.741 -41.567 1.00 0.00 C ATOM 1248 SG CYS A1850 12.154 -2.247 -40.868 1.00 0.00 S ATOM 0 H CYS A1850 11.508 -2.676 -43.604 1.00 0.00 H new ATOM 0 HA CYS A1850 9.704 -0.616 -43.210 1.00 0.00 H new ATOM 0 HB2 CYS A1850 10.004 -1.161 -40.824 1.00 0.00 H new ATOM 0 HB3 CYS A1850 9.956 -2.630 -41.779 1.00 0.00 H new ATOM 0 HG CYS A1850 11.971 -3.213 -40.018 1.00 0.00 H new ATOM 1254 N MET A1851 12.743 0.413 -42.434 1.00 0.00 N ATOM 1255 CA MET A1851 13.531 1.614 -42.135 1.00 0.00 C ATOM 1256 C MET A1851 13.587 2.597 -43.307 1.00 0.00 C ATOM 1257 O MET A1851 13.640 3.803 -43.086 1.00 0.00 O ATOM 1258 CB MET A1851 14.964 1.242 -41.723 1.00 0.00 C ATOM 1259 CG MET A1851 15.060 0.597 -40.336 1.00 0.00 C ATOM 1260 SD MET A1851 14.385 1.551 -38.934 1.00 0.00 S ATOM 1261 CE MET A1851 15.199 3.162 -39.166 1.00 0.00 C ATOM 0 H MET A1851 13.303 -0.437 -42.504 1.00 0.00 H new ATOM 0 HA MET A1851 13.021 2.108 -41.308 1.00 0.00 H new ATOM 0 HB2 MET A1851 15.378 0.556 -42.462 1.00 0.00 H new ATOM 0 HB3 MET A1851 15.582 2.140 -41.740 1.00 0.00 H new ATOM 0 HG2 MET A1851 14.546 -0.363 -40.372 1.00 0.00 H new ATOM 0 HG3 MET A1851 16.110 0.389 -40.131 1.00 0.00 H new ATOM 0 HE1 MET A1851 14.965 3.813 -38.323 1.00 0.00 H new ATOM 0 HE2 MET A1851 16.278 3.019 -39.226 1.00 0.00 H new ATOM 0 HE3 MET A1851 14.842 3.620 -40.088 1.00 0.00 H new ATOM 1271 N ASP A1852 13.544 2.111 -44.550 1.00 0.00 N ATOM 1272 CA ASP A1852 13.529 2.967 -45.743 1.00 0.00 C ATOM 1273 C ASP A1852 12.174 3.677 -45.916 1.00 0.00 C ATOM 1274 O ASP A1852 12.136 4.855 -46.289 1.00 0.00 O ATOM 1275 CB ASP A1852 13.908 2.140 -46.976 1.00 0.00 C ATOM 1276 CG ASP A1852 15.393 1.736 -46.930 1.00 0.00 C ATOM 1277 OD1 ASP A1852 15.742 0.732 -46.258 1.00 0.00 O ATOM 1278 OD2 ASP A1852 16.225 2.433 -47.554 1.00 0.00 O ATOM 0 H ASP A1852 13.519 1.113 -44.760 1.00 0.00 H new ATOM 0 HA ASP A1852 14.271 3.756 -45.618 1.00 0.00 H new ATOM 0 HB2 ASP A1852 13.285 1.247 -47.026 1.00 0.00 H new ATOM 0 HB3 ASP A1852 13.711 2.716 -47.880 1.00 0.00 H new ATOM 1283 N ILE A1853 11.071 3.002 -45.560 1.00 0.00 N ATOM 1284 CA ILE A1853 9.734 3.610 -45.464 1.00 0.00 C ATOM 1285 C ILE A1853 9.711 4.674 -44.358 1.00 0.00 C ATOM 1286 O ILE A1853 9.341 5.824 -44.612 1.00 0.00 O ATOM 1287 CB ILE A1853 8.650 2.521 -45.254 1.00 0.00 C ATOM 1288 CG1 ILE A1853 8.597 1.560 -46.461 1.00 0.00 C ATOM 1289 CG2 ILE A1853 7.266 3.170 -45.066 1.00 0.00 C ATOM 1290 CD1 ILE A1853 7.877 0.238 -46.172 1.00 0.00 C ATOM 0 H ILE A1853 11.081 2.009 -45.328 1.00 0.00 H new ATOM 0 HA ILE A1853 9.503 4.112 -46.404 1.00 0.00 H new ATOM 0 HB ILE A1853 8.913 1.957 -44.359 1.00 0.00 H new ATOM 0 HG12 ILE A1853 8.097 2.061 -47.290 1.00 0.00 H new ATOM 0 HG13 ILE A1853 9.615 1.344 -46.786 1.00 0.00 H new ATOM 0 HG21 ILE A1853 6.516 2.392 -44.920 1.00 0.00 H new ATOM 0 HG22 ILE A1853 7.286 3.823 -44.194 1.00 0.00 H new ATOM 0 HG23 ILE A1853 7.015 3.754 -45.951 1.00 0.00 H new ATOM 0 HD11 ILE A1853 7.882 -0.382 -47.068 1.00 0.00 H new ATOM 0 HD12 ILE A1853 8.389 -0.286 -45.365 1.00 0.00 H new ATOM 0 HD13 ILE A1853 6.848 0.441 -45.877 1.00 0.00 H new ATOM 1302 N LEU A1854 10.163 4.332 -43.146 1.00 0.00 N ATOM 1303 CA LEU A1854 10.292 5.260 -42.014 1.00 0.00 C ATOM 1304 C LEU A1854 11.130 6.496 -42.366 1.00 0.00 C ATOM 1305 O LEU A1854 10.713 7.617 -42.092 1.00 0.00 O ATOM 1306 CB LEU A1854 10.866 4.504 -40.800 1.00 0.00 C ATOM 1307 CG LEU A1854 11.015 5.359 -39.526 1.00 0.00 C ATOM 1308 CD1 LEU A1854 9.685 5.903 -39.002 1.00 0.00 C ATOM 1309 CD2 LEU A1854 11.640 4.496 -38.428 1.00 0.00 C ATOM 0 H LEU A1854 10.456 3.382 -42.919 1.00 0.00 H new ATOM 0 HA LEU A1854 9.301 5.637 -41.761 1.00 0.00 H new ATOM 0 HB2 LEU A1854 10.220 3.654 -40.579 1.00 0.00 H new ATOM 0 HB3 LEU A1854 11.843 4.101 -41.068 1.00 0.00 H new ATOM 0 HG LEU A1854 11.639 6.213 -39.788 1.00 0.00 H new ATOM 0 HD11 LEU A1854 9.863 6.495 -38.104 1.00 0.00 H new ATOM 0 HD12 LEU A1854 9.222 6.530 -39.765 1.00 0.00 H new ATOM 0 HD13 LEU A1854 9.021 5.072 -38.763 1.00 0.00 H new ATOM 0 HD21 LEU A1854 11.752 5.088 -37.520 1.00 0.00 H new ATOM 0 HD22 LEU A1854 10.995 3.640 -38.227 1.00 0.00 H new ATOM 0 HD23 LEU A1854 12.619 4.144 -38.755 1.00 0.00 H new ATOM 1321 N PHE A1855 12.286 6.312 -43.011 1.00 0.00 N ATOM 1322 CA PHE A1855 13.164 7.390 -43.482 1.00 0.00 C ATOM 1323 C PHE A1855 12.453 8.329 -44.476 1.00 0.00 C ATOM 1324 O PHE A1855 12.436 9.541 -44.271 1.00 0.00 O ATOM 1325 CB PHE A1855 14.428 6.755 -44.080 1.00 0.00 C ATOM 1326 CG PHE A1855 15.472 7.732 -44.567 1.00 0.00 C ATOM 1327 CD1 PHE A1855 16.249 8.449 -43.632 1.00 0.00 C ATOM 1328 CD2 PHE A1855 15.717 7.895 -45.943 1.00 0.00 C ATOM 1329 CE1 PHE A1855 17.264 9.320 -44.074 1.00 0.00 C ATOM 1330 CE2 PHE A1855 16.743 8.749 -46.384 1.00 0.00 C ATOM 1331 CZ PHE A1855 17.518 9.460 -45.450 1.00 0.00 C ATOM 0 H PHE A1855 12.648 5.383 -43.226 1.00 0.00 H new ATOM 0 HA PHE A1855 13.443 8.025 -42.641 1.00 0.00 H new ATOM 0 HB2 PHE A1855 14.881 6.109 -43.328 1.00 0.00 H new ATOM 0 HB3 PHE A1855 14.135 6.117 -44.913 1.00 0.00 H new ATOM 0 HD1 PHE A1855 16.065 8.329 -42.575 1.00 0.00 H new ATOM 0 HD2 PHE A1855 15.114 7.362 -46.663 1.00 0.00 H new ATOM 0 HE1 PHE A1855 17.846 9.880 -43.357 1.00 0.00 H new ATOM 0 HE2 PHE A1855 16.936 8.859 -47.441 1.00 0.00 H new ATOM 0 HZ PHE A1855 18.308 10.113 -45.790 1.00 0.00 H new ATOM 1341 N ALA A1856 11.819 7.781 -45.517 1.00 0.00 N ATOM 1342 CA ALA A1856 11.043 8.541 -46.495 1.00 0.00 C ATOM 1343 C ALA A1856 9.909 9.367 -45.852 1.00 0.00 C ATOM 1344 O ALA A1856 9.694 10.523 -46.229 1.00 0.00 O ATOM 1345 CB ALA A1856 10.497 7.572 -47.551 1.00 0.00 C ATOM 0 H ALA A1856 11.832 6.779 -45.705 1.00 0.00 H new ATOM 0 HA ALA A1856 11.704 9.269 -46.964 1.00 0.00 H new ATOM 0 HB1 ALA A1856 9.915 8.126 -48.288 1.00 0.00 H new ATOM 0 HB2 ALA A1856 11.327 7.070 -48.048 1.00 0.00 H new ATOM 0 HB3 ALA A1856 9.860 6.830 -47.069 1.00 0.00 H new ATOM 1351 N PHE A1857 9.204 8.799 -44.869 1.00 0.00 N ATOM 1352 CA PHE A1857 8.147 9.491 -44.117 1.00 0.00 C ATOM 1353 C PHE A1857 8.719 10.605 -43.220 1.00 0.00 C ATOM 1354 O PHE A1857 8.287 11.758 -43.308 1.00 0.00 O ATOM 1355 CB PHE A1857 7.333 8.474 -43.289 1.00 0.00 C ATOM 1356 CG PHE A1857 6.474 7.450 -44.028 1.00 0.00 C ATOM 1357 CD1 PHE A1857 6.467 7.325 -45.432 1.00 0.00 C ATOM 1358 CD2 PHE A1857 5.650 6.603 -43.260 1.00 0.00 C ATOM 1359 CE1 PHE A1857 5.645 6.369 -46.055 1.00 0.00 C ATOM 1360 CE2 PHE A1857 4.830 5.644 -43.886 1.00 0.00 C ATOM 1361 CZ PHE A1857 4.823 5.531 -45.287 1.00 0.00 C ATOM 0 H PHE A1857 9.351 7.836 -44.568 1.00 0.00 H new ATOM 0 HA PHE A1857 7.482 9.971 -44.835 1.00 0.00 H new ATOM 0 HB2 PHE A1857 8.032 7.926 -42.658 1.00 0.00 H new ATOM 0 HB3 PHE A1857 6.678 9.037 -42.624 1.00 0.00 H new ATOM 0 HD1 PHE A1857 7.096 7.966 -46.032 1.00 0.00 H new ATOM 0 HD2 PHE A1857 5.647 6.690 -42.184 1.00 0.00 H new ATOM 0 HE1 PHE A1857 5.647 6.279 -47.131 1.00 0.00 H new ATOM 0 HE2 PHE A1857 4.206 4.995 -43.289 1.00 0.00 H new ATOM 0 HZ PHE A1857 4.188 4.803 -45.770 1.00 0.00 H new ATOM 1371 N THR A1858 9.694 10.296 -42.359 1.00 0.00 N ATOM 1372 CA THR A1858 10.275 11.241 -41.376 1.00 0.00 C ATOM 1373 C THR A1858 11.019 12.415 -42.004 1.00 0.00 C ATOM 1374 O THR A1858 10.968 13.515 -41.451 1.00 0.00 O ATOM 1375 CB THR A1858 11.206 10.556 -40.361 1.00 0.00 C ATOM 1376 OG1 THR A1858 12.201 9.787 -40.994 1.00 0.00 O ATOM 1377 CG2 THR A1858 10.428 9.643 -39.406 1.00 0.00 C ATOM 0 H THR A1858 10.115 9.368 -42.318 1.00 0.00 H new ATOM 0 HA THR A1858 9.400 11.632 -40.858 1.00 0.00 H new ATOM 0 HB THR A1858 11.676 11.362 -39.798 1.00 0.00 H new ATOM 0 HG1 THR A1858 11.796 8.984 -41.384 1.00 0.00 H new ATOM 0 HG21 THR A1858 11.120 9.177 -38.704 1.00 0.00 H new ATOM 0 HG22 THR A1858 9.695 10.232 -38.856 1.00 0.00 H new ATOM 0 HG23 THR A1858 9.916 8.870 -39.978 1.00 0.00 H new ATOM 1385 N LYS A1859 11.623 12.256 -43.192 1.00 0.00 N ATOM 1386 CA LYS A1859 12.212 13.356 -43.981 1.00 0.00 C ATOM 1387 C LYS A1859 11.233 14.517 -44.189 1.00 0.00 C ATOM 1388 O LYS A1859 11.617 15.673 -44.003 1.00 0.00 O ATOM 1389 CB LYS A1859 12.727 12.847 -45.335 1.00 0.00 C ATOM 1390 CG LYS A1859 14.163 12.288 -45.235 1.00 0.00 C ATOM 1391 CD LYS A1859 14.693 11.805 -46.591 1.00 0.00 C ATOM 1392 CE LYS A1859 14.896 12.961 -47.582 1.00 0.00 C ATOM 1393 NZ LYS A1859 15.494 12.481 -48.860 1.00 0.00 N ATOM 0 H LYS A1859 11.719 11.345 -43.641 1.00 0.00 H new ATOM 0 HA LYS A1859 13.053 13.738 -43.402 1.00 0.00 H new ATOM 0 HB2 LYS A1859 12.060 12.069 -45.707 1.00 0.00 H new ATOM 0 HB3 LYS A1859 12.704 13.660 -46.060 1.00 0.00 H new ATOM 0 HG2 LYS A1859 14.825 13.060 -44.842 1.00 0.00 H new ATOM 0 HG3 LYS A1859 14.181 11.461 -44.525 1.00 0.00 H new ATOM 0 HD2 LYS A1859 15.639 11.284 -46.444 1.00 0.00 H new ATOM 0 HD3 LYS A1859 13.995 11.084 -47.016 1.00 0.00 H new ATOM 0 HE2 LYS A1859 13.939 13.442 -47.784 1.00 0.00 H new ATOM 0 HE3 LYS A1859 15.544 13.716 -47.136 1.00 0.00 H new ATOM 0 HZ1 LYS A1859 15.619 13.285 -49.508 1.00 0.00 H new ATOM 0 HZ2 LYS A1859 16.418 12.044 -48.668 1.00 0.00 H new ATOM 0 HZ3 LYS A1859 14.863 11.779 -49.296 1.00 0.00 H new ATOM 1407 N ARG A1860 9.970 14.238 -44.536 1.00 0.00 N ATOM 1408 CA ARG A1860 8.919 15.255 -44.728 1.00 0.00 C ATOM 1409 C ARG A1860 8.603 16.027 -43.443 1.00 0.00 C ATOM 1410 O ARG A1860 8.414 17.244 -43.488 1.00 0.00 O ATOM 1411 CB ARG A1860 7.650 14.615 -45.325 1.00 0.00 C ATOM 1412 CG ARG A1860 7.899 14.066 -46.736 1.00 0.00 C ATOM 1413 CD ARG A1860 6.594 13.531 -47.343 1.00 0.00 C ATOM 1414 NE ARG A1860 6.789 13.133 -48.747 1.00 0.00 N ATOM 1415 CZ ARG A1860 5.883 12.605 -49.554 1.00 0.00 C ATOM 1416 NH1 ARG A1860 4.667 12.374 -49.152 1.00 0.00 N ATOM 1417 NH2 ARG A1860 6.183 12.296 -50.781 1.00 0.00 N ATOM 0 H ARG A1860 9.641 13.286 -44.695 1.00 0.00 H new ATOM 0 HA ARG A1860 9.305 15.987 -45.437 1.00 0.00 H new ATOM 0 HB2 ARG A1860 7.310 13.808 -44.676 1.00 0.00 H new ATOM 0 HB3 ARG A1860 6.851 15.355 -45.359 1.00 0.00 H new ATOM 0 HG2 ARG A1860 8.307 14.852 -47.372 1.00 0.00 H new ATOM 0 HG3 ARG A1860 8.642 13.270 -46.697 1.00 0.00 H new ATOM 0 HD2 ARG A1860 6.243 12.676 -46.764 1.00 0.00 H new ATOM 0 HD3 ARG A1860 5.820 14.296 -47.282 1.00 0.00 H new ATOM 0 HE ARG A1860 7.719 13.280 -49.138 1.00 0.00 H new ATOM 0 HH11 ARG A1860 4.394 12.601 -48.196 1.00 0.00 H new ATOM 0 HH12 ARG A1860 3.987 11.966 -49.793 1.00 0.00 H new ATOM 0 HH21 ARG A1860 7.127 12.460 -51.132 1.00 0.00 H new ATOM 0 HH22 ARG A1860 5.475 11.890 -51.392 1.00 0.00 H new ATOM 1431 N VAL A1861 8.596 15.345 -42.296 1.00 0.00 N ATOM 1432 CA VAL A1861 8.414 15.950 -40.956 1.00 0.00 C ATOM 1433 C VAL A1861 9.593 16.871 -40.598 1.00 0.00 C ATOM 1434 O VAL A1861 9.400 17.980 -40.094 1.00 0.00 O ATOM 1435 CB VAL A1861 8.240 14.870 -39.865 1.00 0.00 C ATOM 1436 CG1 VAL A1861 7.722 15.492 -38.565 1.00 0.00 C ATOM 1437 CG2 VAL A1861 7.239 13.777 -40.271 1.00 0.00 C ATOM 0 H VAL A1861 8.719 14.333 -42.262 1.00 0.00 H new ATOM 0 HA VAL A1861 7.503 16.547 -40.996 1.00 0.00 H new ATOM 0 HB VAL A1861 9.226 14.427 -39.728 1.00 0.00 H new ATOM 0 HG11 VAL A1861 7.607 14.714 -37.810 1.00 0.00 H new ATOM 0 HG12 VAL A1861 8.432 16.239 -38.211 1.00 0.00 H new ATOM 0 HG13 VAL A1861 6.758 15.966 -38.748 1.00 0.00 H new ATOM 0 HG21 VAL A1861 7.155 13.044 -39.468 1.00 0.00 H new ATOM 0 HG22 VAL A1861 6.263 14.227 -40.455 1.00 0.00 H new ATOM 0 HG23 VAL A1861 7.588 13.283 -41.178 1.00 0.00 H new