USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1807 GLN : amide:sc= 0.665 K(o=0.82,f=0.066) USER MOD Set 1.2: A1850 CYS SG : rot 86:sc= 0.151 USER MOD Single : A1787 SER OG : rot 180:sc= 0 USER MOD Single : A1793 MET CE :methyl -139:sc= -0.034 (180deg=-0.466) USER MOD Single : A1795 TYR OH : rot 180:sc= 0 USER MOD Single : A1800 LYS NZ :NH3+ 170:sc= 2.22 (180deg=1.99) USER MOD Single : A1806 THR OG1 : rot 180:sc= 0 USER MOD Single : A1811 TYR OH : rot 180:sc= 0 USER MOD Single : A1812 SER OG : rot 180:sc= 0 USER MOD Single : A1815 SER OG : rot 180:sc= 0.00372 USER MOD Single : A1822 SER OG : rot 180:sc= 0 USER MOD Single : A1829 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A1831 ASN : amide:sc= 1.74 K(o=1.7,f=-3.7!) 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= 1.02 K(o=1,f=0) USER MOD Single : A1838 MET CE :methyl 166:sc= -0.0153 (180deg=-0.171) USER MOD Single : A1842 MET CE :methyl 174:sc= 0 (180deg=-0.0523) USER MOD Single : A1844 SER OG : rot -110:sc= 0.552 USER MOD Single : A1849 HIS : no HE2:sc= 1.05 K(o=1.1,f=-3.2!) USER MOD Single : A1851 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1858 THR OG1 : rot -71:sc= 0.874 USER MOD Single : A1859 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 226 N LEU A1786 9.199 15.596 -33.721 1.00 0.00 N ATOM 227 CA LEU A1786 8.989 14.160 -33.470 1.00 0.00 C ATOM 228 C LEU A1786 9.471 13.745 -32.067 1.00 0.00 C ATOM 229 O LEU A1786 10.364 14.374 -31.494 1.00 0.00 O ATOM 230 CB LEU A1786 9.728 13.333 -34.552 1.00 0.00 C ATOM 231 CG LEU A1786 9.169 13.458 -35.985 1.00 0.00 C ATOM 232 CD1 LEU A1786 10.082 12.727 -36.961 1.00 0.00 C ATOM 233 CD2 LEU A1786 7.775 12.838 -36.100 1.00 0.00 C ATOM 0 HA LEU A1786 7.918 13.963 -33.518 1.00 0.00 H new ATOM 0 HB2 LEU A1786 10.775 13.635 -34.562 1.00 0.00 H new ATOM 0 HB3 LEU A1786 9.702 12.283 -34.262 1.00 0.00 H new ATOM 0 HG LEU A1786 9.113 14.521 -36.219 1.00 0.00 H new ATOM 0 HD11 LEU A1786 9.683 12.818 -37.971 1.00 0.00 H new ATOM 0 HD12 LEU A1786 11.079 13.165 -36.924 1.00 0.00 H new ATOM 0 HD13 LEU A1786 10.138 11.673 -36.687 1.00 0.00 H new ATOM 0 HD21 LEU A1786 7.413 12.944 -37.123 1.00 0.00 H new ATOM 0 HD22 LEU A1786 7.825 11.780 -35.841 1.00 0.00 H new ATOM 0 HD23 LEU A1786 7.093 13.347 -35.419 1.00 0.00 H new ATOM 245 N SER A1787 8.919 12.641 -31.552 1.00 0.00 N ATOM 246 CA SER A1787 9.215 12.025 -30.247 1.00 0.00 C ATOM 247 C SER A1787 9.232 10.489 -30.324 1.00 0.00 C ATOM 248 O SER A1787 8.884 9.895 -31.348 1.00 0.00 O ATOM 249 CB SER A1787 8.163 12.470 -29.213 1.00 0.00 C ATOM 250 OG SER A1787 8.140 13.881 -29.045 1.00 0.00 O ATOM 0 H SER A1787 8.209 12.119 -32.065 1.00 0.00 H new ATOM 0 HA SER A1787 10.208 12.357 -29.946 1.00 0.00 H new ATOM 0 HB2 SER A1787 7.178 12.127 -29.529 1.00 0.00 H new ATOM 0 HB3 SER A1787 8.374 11.995 -28.255 1.00 0.00 H new ATOM 0 HG SER A1787 7.459 14.121 -28.383 1.00 0.00 H new ATOM 256 N GLU A1788 9.607 9.809 -29.230 1.00 0.00 N ATOM 257 CA GLU A1788 9.640 8.334 -29.129 1.00 0.00 C ATOM 258 C GLU A1788 8.278 7.672 -29.427 1.00 0.00 C ATOM 259 O GLU A1788 8.210 6.594 -30.023 1.00 0.00 O ATOM 260 CB GLU A1788 10.163 7.949 -27.734 1.00 0.00 C ATOM 261 CG GLU A1788 10.406 6.441 -27.572 1.00 0.00 C ATOM 262 CD GLU A1788 11.084 6.134 -26.217 1.00 0.00 C ATOM 263 OE1 GLU A1788 10.379 6.025 -25.184 1.00 0.00 O ATOM 264 OE2 GLU A1788 12.334 6.008 -26.167 1.00 0.00 O ATOM 0 H GLU A1788 9.902 10.274 -28.372 1.00 0.00 H new ATOM 0 HA GLU A1788 10.313 7.955 -29.898 1.00 0.00 H new ATOM 0 HB2 GLU A1788 11.094 8.483 -27.542 1.00 0.00 H new ATOM 0 HB3 GLU A1788 9.446 8.278 -26.981 1.00 0.00 H new ATOM 0 HG2 GLU A1788 9.458 5.907 -27.638 1.00 0.00 H new ATOM 0 HG3 GLU A1788 11.033 6.080 -28.387 1.00 0.00 H new ATOM 271 N ASP A1789 7.178 8.345 -29.079 1.00 0.00 N ATOM 272 CA ASP A1789 5.801 7.915 -29.344 1.00 0.00 C ATOM 273 C ASP A1789 5.482 7.733 -30.845 1.00 0.00 C ATOM 274 O ASP A1789 4.688 6.869 -31.207 1.00 0.00 O ATOM 275 CB ASP A1789 4.847 8.931 -28.705 1.00 0.00 C ATOM 276 CG ASP A1789 3.378 8.476 -28.763 1.00 0.00 C ATOM 277 OD1 ASP A1789 3.007 7.527 -28.030 1.00 0.00 O ATOM 278 OD2 ASP A1789 2.583 9.088 -29.516 1.00 0.00 O ATOM 0 H ASP A1789 7.223 9.237 -28.587 1.00 0.00 H new ATOM 0 HA ASP A1789 5.671 6.927 -28.903 1.00 0.00 H new ATOM 0 HB2 ASP A1789 5.134 9.090 -27.666 1.00 0.00 H new ATOM 0 HB3 ASP A1789 4.948 9.889 -29.214 1.00 0.00 H new ATOM 283 N ASP A1790 6.115 8.508 -31.729 1.00 0.00 N ATOM 284 CA ASP A1790 5.962 8.378 -33.186 1.00 0.00 C ATOM 285 C ASP A1790 6.575 7.072 -33.720 1.00 0.00 C ATOM 286 O ASP A1790 5.966 6.391 -34.548 1.00 0.00 O ATOM 287 CB ASP A1790 6.577 9.596 -33.887 1.00 0.00 C ATOM 288 CG ASP A1790 5.861 10.894 -33.495 1.00 0.00 C ATOM 289 OD1 ASP A1790 4.682 11.077 -33.889 1.00 0.00 O ATOM 290 OD2 ASP A1790 6.476 11.738 -32.802 1.00 0.00 O ATOM 0 H ASP A1790 6.756 9.252 -31.454 1.00 0.00 H new ATOM 0 HA ASP A1790 4.895 8.339 -33.406 1.00 0.00 H new ATOM 0 HB2 ASP A1790 7.633 9.670 -33.629 1.00 0.00 H new ATOM 0 HB3 ASP A1790 6.522 9.461 -34.967 1.00 0.00 H new ATOM 295 N PHE A1791 7.754 6.682 -33.225 1.00 0.00 N ATOM 296 CA PHE A1791 8.381 5.398 -33.547 1.00 0.00 C ATOM 297 C PHE A1791 7.598 4.214 -32.957 1.00 0.00 C ATOM 298 O PHE A1791 7.367 3.224 -33.653 1.00 0.00 O ATOM 299 CB PHE A1791 9.844 5.391 -33.068 1.00 0.00 C ATOM 300 CG PHE A1791 10.686 6.531 -33.608 1.00 0.00 C ATOM 301 CD1 PHE A1791 10.747 6.780 -34.994 1.00 0.00 C ATOM 302 CD2 PHE A1791 11.411 7.356 -32.727 1.00 0.00 C ATOM 303 CE1 PHE A1791 11.507 7.854 -35.493 1.00 0.00 C ATOM 304 CE2 PHE A1791 12.167 8.435 -33.224 1.00 0.00 C ATOM 305 CZ PHE A1791 12.214 8.688 -34.606 1.00 0.00 C ATOM 0 H PHE A1791 8.304 7.254 -32.584 1.00 0.00 H new ATOM 0 HA PHE A1791 8.366 5.277 -34.630 1.00 0.00 H new ATOM 0 HB2 PHE A1791 9.857 5.430 -31.979 1.00 0.00 H new ATOM 0 HB3 PHE A1791 10.304 4.446 -33.358 1.00 0.00 H new ATOM 0 HD1 PHE A1791 10.207 6.142 -35.678 1.00 0.00 H new ATOM 0 HD2 PHE A1791 11.387 7.160 -31.665 1.00 0.00 H new ATOM 0 HE1 PHE A1791 11.548 8.039 -36.556 1.00 0.00 H new ATOM 0 HE2 PHE A1791 12.712 9.070 -32.541 1.00 0.00 H new ATOM 0 HZ PHE A1791 12.790 9.519 -34.986 1.00 0.00 H new ATOM 315 N ASP A1792 7.128 4.324 -31.707 1.00 0.00 N ATOM 316 CA ASP A1792 6.255 3.327 -31.072 1.00 0.00 C ATOM 317 C ASP A1792 4.971 3.089 -31.888 1.00 0.00 C ATOM 318 O ASP A1792 4.636 1.944 -32.197 1.00 0.00 O ATOM 319 CB ASP A1792 5.936 3.761 -29.633 1.00 0.00 C ATOM 320 CG ASP A1792 5.145 2.673 -28.882 1.00 0.00 C ATOM 321 OD1 ASP A1792 5.759 1.677 -28.424 1.00 0.00 O ATOM 322 OD2 ASP A1792 3.907 2.805 -28.744 1.00 0.00 O ATOM 0 H ASP A1792 7.345 5.116 -31.102 1.00 0.00 H new ATOM 0 HA ASP A1792 6.784 2.374 -31.042 1.00 0.00 H new ATOM 0 HB2 ASP A1792 6.863 3.972 -29.101 1.00 0.00 H new ATOM 0 HB3 ASP A1792 5.360 4.686 -29.649 1.00 0.00 H new ATOM 327 N MET A1793 4.289 4.164 -32.303 1.00 0.00 N ATOM 328 CA MET A1793 3.139 4.140 -33.217 1.00 0.00 C ATOM 329 C MET A1793 3.482 3.449 -34.547 1.00 0.00 C ATOM 330 O MET A1793 2.753 2.544 -34.964 1.00 0.00 O ATOM 331 CB MET A1793 2.612 5.573 -33.390 1.00 0.00 C ATOM 332 CG MET A1793 1.445 5.718 -34.382 1.00 0.00 C ATOM 333 SD MET A1793 1.855 5.770 -36.147 1.00 0.00 S ATOM 334 CE MET A1793 2.877 7.263 -36.266 1.00 0.00 C ATOM 0 H MET A1793 4.531 5.108 -32.001 1.00 0.00 H new ATOM 0 HA MET A1793 2.339 3.537 -32.788 1.00 0.00 H new ATOM 0 HB2 MET A1793 2.292 5.947 -32.417 1.00 0.00 H new ATOM 0 HB3 MET A1793 3.433 6.209 -33.721 1.00 0.00 H new ATOM 0 HG2 MET A1793 0.759 4.887 -34.220 1.00 0.00 H new ATOM 0 HG3 MET A1793 0.904 6.631 -34.135 1.00 0.00 H new ATOM 0 HE1 MET A1793 2.613 7.813 -37.169 1.00 0.00 H new ATOM 0 HE2 MET A1793 2.704 7.893 -35.394 1.00 0.00 H new ATOM 0 HE3 MET A1793 3.929 6.981 -36.307 1.00 0.00 H new ATOM 344 N PHE A1794 4.592 3.822 -35.195 1.00 0.00 N ATOM 345 CA PHE A1794 5.043 3.200 -36.450 1.00 0.00 C ATOM 346 C PHE A1794 5.171 1.674 -36.323 1.00 0.00 C ATOM 347 O PHE A1794 4.515 0.945 -37.069 1.00 0.00 O ATOM 348 CB PHE A1794 6.334 3.848 -36.957 1.00 0.00 C ATOM 349 CG PHE A1794 6.736 3.393 -38.351 1.00 0.00 C ATOM 350 CD1 PHE A1794 7.468 2.199 -38.530 1.00 0.00 C ATOM 351 CD2 PHE A1794 6.372 4.159 -39.477 1.00 0.00 C ATOM 352 CE1 PHE A1794 7.840 1.789 -39.825 1.00 0.00 C ATOM 353 CE2 PHE A1794 6.756 3.751 -40.769 1.00 0.00 C ATOM 354 CZ PHE A1794 7.492 2.566 -40.943 1.00 0.00 C ATOM 0 H PHE A1794 5.206 4.566 -34.864 1.00 0.00 H new ATOM 0 HA PHE A1794 4.273 3.383 -37.200 1.00 0.00 H new ATOM 0 HB2 PHE A1794 6.211 4.931 -36.959 1.00 0.00 H new ATOM 0 HB3 PHE A1794 7.142 3.620 -36.262 1.00 0.00 H new ATOM 0 HD1 PHE A1794 7.743 1.600 -37.674 1.00 0.00 H new ATOM 0 HD2 PHE A1794 5.796 5.063 -39.348 1.00 0.00 H new ATOM 0 HE1 PHE A1794 8.396 0.873 -39.960 1.00 0.00 H new ATOM 0 HE2 PHE A1794 6.485 4.349 -41.627 1.00 0.00 H new ATOM 0 HZ PHE A1794 7.789 2.254 -41.933 1.00 0.00 H new ATOM 364 N TYR A1795 5.974 1.179 -35.374 1.00 0.00 N ATOM 365 CA TYR A1795 6.199 -0.257 -35.179 1.00 0.00 C ATOM 366 C TYR A1795 4.956 -1.032 -34.695 1.00 0.00 C ATOM 367 O TYR A1795 4.799 -2.206 -35.020 1.00 0.00 O ATOM 368 CB TYR A1795 7.395 -0.481 -34.240 1.00 0.00 C ATOM 369 CG TYR A1795 8.724 0.045 -34.764 1.00 0.00 C ATOM 370 CD1 TYR A1795 9.200 -0.360 -36.030 1.00 0.00 C ATOM 371 CD2 TYR A1795 9.486 0.939 -33.983 1.00 0.00 C ATOM 372 CE1 TYR A1795 10.421 0.145 -36.522 1.00 0.00 C ATOM 373 CE2 TYR A1795 10.707 1.443 -34.472 1.00 0.00 C ATOM 374 CZ TYR A1795 11.174 1.047 -35.744 1.00 0.00 C ATOM 375 OH TYR A1795 12.360 1.519 -36.220 1.00 0.00 O ATOM 0 H TYR A1795 6.488 1.766 -34.717 1.00 0.00 H new ATOM 0 HA TYR A1795 6.424 -0.668 -36.163 1.00 0.00 H new ATOM 0 HB2 TYR A1795 7.183 -0.003 -33.284 1.00 0.00 H new ATOM 0 HB3 TYR A1795 7.493 -1.549 -34.048 1.00 0.00 H new ATOM 0 HD1 TYR A1795 8.628 -1.058 -36.623 1.00 0.00 H new ATOM 0 HD2 TYR A1795 9.132 1.238 -33.007 1.00 0.00 H new ATOM 0 HE1 TYR A1795 10.779 -0.159 -37.494 1.00 0.00 H new ATOM 0 HE2 TYR A1795 11.285 2.132 -33.874 1.00 0.00 H new ATOM 0 HH TYR A1795 12.755 2.131 -35.565 1.00 0.00 H new ATOM 385 N GLU A1796 4.024 -0.390 -33.983 1.00 0.00 N ATOM 386 CA GLU A1796 2.717 -0.973 -33.646 1.00 0.00 C ATOM 387 C GLU A1796 1.842 -1.185 -34.890 1.00 0.00 C ATOM 388 O GLU A1796 1.286 -2.270 -35.073 1.00 0.00 O ATOM 389 CB GLU A1796 2.005 -0.097 -32.603 1.00 0.00 C ATOM 390 CG GLU A1796 0.605 -0.595 -32.197 1.00 0.00 C ATOM 391 CD GLU A1796 0.568 -2.023 -31.613 1.00 0.00 C ATOM 392 OE1 GLU A1796 1.489 -2.412 -30.849 1.00 0.00 O ATOM 393 OE2 GLU A1796 -0.409 -2.765 -31.887 1.00 0.00 O ATOM 0 H GLU A1796 4.154 0.555 -33.621 1.00 0.00 H new ATOM 0 HA GLU A1796 2.889 -1.960 -33.216 1.00 0.00 H new ATOM 0 HB2 GLU A1796 2.628 -0.038 -31.711 1.00 0.00 H new ATOM 0 HB3 GLU A1796 1.916 0.915 -32.997 1.00 0.00 H new ATOM 0 HG2 GLU A1796 0.189 0.094 -31.461 1.00 0.00 H new ATOM 0 HG3 GLU A1796 -0.045 -0.558 -33.071 1.00 0.00 H new ATOM 400 N ILE A1797 1.705 -0.184 -35.767 1.00 0.00 N ATOM 401 CA ILE A1797 0.914 -0.314 -37.004 1.00 0.00 C ATOM 402 C ILE A1797 1.637 -1.181 -38.063 1.00 0.00 C ATOM 403 O ILE A1797 0.977 -1.828 -38.880 1.00 0.00 O ATOM 404 CB ILE A1797 0.511 1.089 -37.530 1.00 0.00 C ATOM 405 CG1 ILE A1797 -0.283 1.914 -36.485 1.00 0.00 C ATOM 406 CG2 ILE A1797 -0.305 1.024 -38.833 1.00 0.00 C ATOM 407 CD1 ILE A1797 -1.599 1.290 -35.993 1.00 0.00 C ATOM 0 H ILE A1797 2.134 0.733 -35.644 1.00 0.00 H new ATOM 0 HA ILE A1797 -0.008 -0.850 -36.776 1.00 0.00 H new ATOM 0 HB ILE A1797 1.458 1.590 -37.731 1.00 0.00 H new ATOM 0 HG12 ILE A1797 0.360 2.085 -35.622 1.00 0.00 H new ATOM 0 HG13 ILE A1797 -0.505 2.891 -36.915 1.00 0.00 H new ATOM 0 HG21 ILE A1797 -0.559 2.034 -39.154 1.00 0.00 H new ATOM 0 HG22 ILE A1797 0.285 0.535 -39.608 1.00 0.00 H new ATOM 0 HG23 ILE A1797 -1.220 0.457 -38.661 1.00 0.00 H new ATOM 0 HD11 ILE A1797 -2.067 1.954 -35.266 1.00 0.00 H new ATOM 0 HD12 ILE A1797 -2.272 1.145 -36.838 1.00 0.00 H new ATOM 0 HD13 ILE A1797 -1.393 0.328 -35.525 1.00 0.00 H new ATOM 419 N TRP A1798 2.970 -1.271 -38.018 1.00 0.00 N ATOM 420 CA TRP A1798 3.793 -2.097 -38.913 1.00 0.00 C ATOM 421 C TRP A1798 3.409 -3.588 -38.895 1.00 0.00 C ATOM 422 O TRP A1798 3.194 -4.183 -39.954 1.00 0.00 O ATOM 423 CB TRP A1798 5.279 -1.937 -38.561 1.00 0.00 C ATOM 424 CG TRP A1798 6.200 -2.746 -39.420 1.00 0.00 C ATOM 425 CD1 TRP A1798 6.768 -3.927 -39.085 1.00 0.00 C ATOM 426 CD2 TRP A1798 6.576 -2.495 -40.805 1.00 0.00 C ATOM 427 NE1 TRP A1798 7.440 -4.438 -40.184 1.00 0.00 N ATOM 428 CE2 TRP A1798 7.337 -3.601 -41.275 1.00 0.00 C ATOM 429 CE3 TRP A1798 6.299 -1.465 -41.729 1.00 0.00 C ATOM 430 CZ2 TRP A1798 7.785 -3.688 -42.602 1.00 0.00 C ATOM 431 CZ3 TRP A1798 6.772 -1.525 -43.050 1.00 0.00 C ATOM 432 CH2 TRP A1798 7.521 -2.634 -43.493 1.00 0.00 C ATOM 0 H TRP A1798 3.526 -0.755 -37.336 1.00 0.00 H new ATOM 0 HA TRP A1798 3.604 -1.737 -39.925 1.00 0.00 H new ATOM 0 HB2 TRP A1798 5.550 -0.885 -38.646 1.00 0.00 H new ATOM 0 HB3 TRP A1798 5.427 -2.221 -37.519 1.00 0.00 H new ATOM 0 HD1 TRP A1798 6.707 -4.397 -38.115 1.00 0.00 H new ATOM 0 HE1 TRP A1798 7.947 -5.323 -40.186 1.00 0.00 H new ATOM 0 HE3 TRP A1798 5.712 -0.615 -41.414 1.00 0.00 H new ATOM 0 HZ2 TRP A1798 8.329 -4.559 -42.936 1.00 0.00 H new ATOM 0 HZ3 TRP A1798 6.560 -0.715 -43.732 1.00 0.00 H new ATOM 0 HH2 TRP A1798 7.889 -2.673 -44.508 1.00 0.00 H new ATOM 443 N GLU A1799 3.274 -4.194 -37.711 1.00 0.00 N ATOM 444 CA GLU A1799 3.003 -5.637 -37.565 1.00 0.00 C ATOM 445 C GLU A1799 1.644 -6.077 -38.143 1.00 0.00 C ATOM 446 O GLU A1799 1.438 -7.264 -38.416 1.00 0.00 O ATOM 447 CB GLU A1799 3.137 -6.075 -36.098 1.00 0.00 C ATOM 448 CG GLU A1799 2.224 -5.312 -35.128 1.00 0.00 C ATOM 449 CD GLU A1799 1.837 -6.166 -33.910 1.00 0.00 C ATOM 450 OE1 GLU A1799 2.735 -6.568 -33.132 1.00 0.00 O ATOM 451 OE2 GLU A1799 0.619 -6.428 -33.724 1.00 0.00 O ATOM 0 H GLU A1799 3.349 -3.701 -36.821 1.00 0.00 H new ATOM 0 HA GLU A1799 3.762 -6.143 -38.162 1.00 0.00 H new ATOM 0 HB2 GLU A1799 2.915 -7.140 -36.027 1.00 0.00 H new ATOM 0 HB3 GLU A1799 4.173 -5.943 -35.784 1.00 0.00 H new ATOM 0 HG2 GLU A1799 2.729 -4.407 -34.791 1.00 0.00 H new ATOM 0 HG3 GLU A1799 1.321 -4.997 -35.652 1.00 0.00 H new ATOM 458 N LYS A1800 0.718 -5.138 -38.377 1.00 0.00 N ATOM 459 CA LYS A1800 -0.602 -5.369 -38.993 1.00 0.00 C ATOM 460 C LYS A1800 -0.505 -5.690 -40.496 1.00 0.00 C ATOM 461 O LYS A1800 -1.386 -6.356 -41.043 1.00 0.00 O ATOM 462 CB LYS A1800 -1.523 -4.159 -38.744 1.00 0.00 C ATOM 463 CG LYS A1800 -1.458 -3.554 -37.329 1.00 0.00 C ATOM 464 CD LYS A1800 -1.786 -4.516 -36.178 1.00 0.00 C ATOM 465 CE LYS A1800 -1.640 -3.735 -34.867 1.00 0.00 C ATOM 466 NZ LYS A1800 -1.545 -4.614 -33.679 1.00 0.00 N ATOM 0 H LYS A1800 0.870 -4.159 -38.135 1.00 0.00 H new ATOM 0 HA LYS A1800 -1.034 -6.249 -38.517 1.00 0.00 H new ATOM 0 HB2 LYS A1800 -1.273 -3.380 -39.465 1.00 0.00 H new ATOM 0 HB3 LYS A1800 -2.551 -4.460 -38.944 1.00 0.00 H new ATOM 0 HG2 LYS A1800 -0.456 -3.155 -37.170 1.00 0.00 H new ATOM 0 HG3 LYS A1800 -2.148 -2.712 -37.282 1.00 0.00 H new ATOM 0 HD2 LYS A1800 -2.799 -4.906 -36.281 1.00 0.00 H new ATOM 0 HD3 LYS A1800 -1.112 -5.373 -36.191 1.00 0.00 H new ATOM 0 HE2 LYS A1800 -0.750 -3.108 -34.921 1.00 0.00 H new ATOM 0 HE3 LYS A1800 -2.494 -3.067 -34.751 1.00 0.00 H new ATOM 0 HZ1 LYS A1800 -1.280 -4.047 -32.848 1.00 0.00 H new ATOM 0 HZ2 LYS A1800 -2.465 -5.068 -33.509 1.00 0.00 H new ATOM 0 HZ3 LYS A1800 -0.824 -5.345 -33.844 1.00 0.00 H new ATOM 480 N PHE A1801 0.587 -5.260 -41.139 1.00 0.00 N ATOM 481 CA PHE A1801 0.924 -5.498 -42.554 1.00 0.00 C ATOM 482 C PHE A1801 2.133 -6.434 -42.741 1.00 0.00 C ATOM 483 O PHE A1801 2.254 -7.072 -43.791 1.00 0.00 O ATOM 484 CB PHE A1801 1.167 -4.152 -43.245 1.00 0.00 C ATOM 485 CG PHE A1801 -0.023 -3.222 -43.158 1.00 0.00 C ATOM 486 CD1 PHE A1801 -0.148 -2.338 -42.071 1.00 0.00 C ATOM 487 CD2 PHE A1801 -1.048 -3.292 -44.115 1.00 0.00 C ATOM 488 CE1 PHE A1801 -1.289 -1.528 -41.937 1.00 0.00 C ATOM 489 CE2 PHE A1801 -2.187 -2.475 -43.991 1.00 0.00 C ATOM 490 CZ PHE A1801 -2.305 -1.587 -42.906 1.00 0.00 C ATOM 0 H PHE A1801 1.300 -4.707 -40.664 1.00 0.00 H new ATOM 0 HA PHE A1801 0.078 -6.010 -43.013 1.00 0.00 H new ATOM 0 HB2 PHE A1801 2.033 -3.669 -42.793 1.00 0.00 H new ATOM 0 HB3 PHE A1801 1.410 -4.326 -44.293 1.00 0.00 H new ATOM 0 HD1 PHE A1801 0.639 -2.281 -41.334 1.00 0.00 H new ATOM 0 HD2 PHE A1801 -0.962 -3.974 -44.948 1.00 0.00 H new ATOM 0 HE1 PHE A1801 -1.385 -0.862 -41.092 1.00 0.00 H new ATOM 0 HE2 PHE A1801 -2.972 -2.530 -44.730 1.00 0.00 H new ATOM 0 HZ PHE A1801 -3.174 -0.952 -42.818 1.00 0.00 H new ATOM 500 N ASP A1802 2.982 -6.573 -41.717 1.00 0.00 N ATOM 501 CA ASP A1802 4.097 -7.523 -41.632 1.00 0.00 C ATOM 502 C ASP A1802 3.908 -8.510 -40.448 1.00 0.00 C ATOM 503 O ASP A1802 4.617 -8.416 -39.436 1.00 0.00 O ATOM 504 CB ASP A1802 5.422 -6.741 -41.557 1.00 0.00 C ATOM 505 CG ASP A1802 6.663 -7.649 -41.486 1.00 0.00 C ATOM 506 OD1 ASP A1802 6.597 -8.823 -41.925 1.00 0.00 O ATOM 507 OD2 ASP A1802 7.709 -7.184 -40.971 1.00 0.00 O ATOM 0 H ASP A1802 2.906 -5.995 -40.880 1.00 0.00 H new ATOM 0 HA ASP A1802 4.123 -8.142 -42.529 1.00 0.00 H new ATOM 0 HB2 ASP A1802 5.504 -6.094 -42.430 1.00 0.00 H new ATOM 0 HB3 ASP A1802 5.404 -6.093 -40.681 1.00 0.00 H new ATOM 512 N PRO A1803 2.958 -9.468 -40.543 1.00 0.00 N ATOM 513 CA PRO A1803 2.720 -10.466 -39.495 1.00 0.00 C ATOM 514 C PRO A1803 3.850 -11.516 -39.395 1.00 0.00 C ATOM 515 O PRO A1803 4.014 -12.165 -38.359 1.00 0.00 O ATOM 516 CB PRO A1803 1.383 -11.114 -39.870 1.00 0.00 C ATOM 517 CG PRO A1803 1.344 -10.996 -41.395 1.00 0.00 C ATOM 518 CD PRO A1803 2.023 -9.653 -41.643 1.00 0.00 C ATOM 0 HA PRO A1803 2.697 -10.001 -38.509 1.00 0.00 H new ATOM 0 HB2 PRO A1803 1.336 -12.154 -39.547 1.00 0.00 H new ATOM 0 HB3 PRO A1803 0.543 -10.598 -39.406 1.00 0.00 H new ATOM 0 HG2 PRO A1803 1.877 -11.815 -41.879 1.00 0.00 H new ATOM 0 HG3 PRO A1803 0.323 -11.011 -41.777 1.00 0.00 H new ATOM 0 HD2 PRO A1803 2.542 -9.649 -42.601 1.00 0.00 H new ATOM 0 HD3 PRO A1803 1.291 -8.845 -41.674 1.00 0.00 H new ATOM 526 N GLU A1804 4.650 -11.669 -40.456 1.00 0.00 N ATOM 527 CA GLU A1804 5.853 -12.520 -40.502 1.00 0.00 C ATOM 528 C GLU A1804 7.079 -11.879 -39.811 1.00 0.00 C ATOM 529 O GLU A1804 8.091 -12.550 -39.594 1.00 0.00 O ATOM 530 CB GLU A1804 6.198 -12.840 -41.969 1.00 0.00 C ATOM 531 CG GLU A1804 5.083 -13.559 -42.745 1.00 0.00 C ATOM 532 CD GLU A1804 4.738 -14.929 -42.135 1.00 0.00 C ATOM 533 OE1 GLU A1804 5.512 -15.900 -42.331 1.00 0.00 O ATOM 534 OE2 GLU A1804 3.684 -15.062 -41.464 1.00 0.00 O ATOM 0 H GLU A1804 4.475 -11.189 -41.339 1.00 0.00 H new ATOM 0 HA GLU A1804 5.620 -13.431 -39.951 1.00 0.00 H new ATOM 0 HB2 GLU A1804 6.439 -11.910 -42.483 1.00 0.00 H new ATOM 0 HB3 GLU A1804 7.095 -13.458 -41.991 1.00 0.00 H new ATOM 0 HG2 GLU A1804 4.190 -12.934 -42.757 1.00 0.00 H new ATOM 0 HG3 GLU A1804 5.393 -13.693 -43.782 1.00 0.00 H new ATOM 541 N ALA A1805 6.998 -10.591 -39.452 1.00 0.00 N ATOM 542 CA ALA A1805 8.043 -9.762 -38.842 1.00 0.00 C ATOM 543 C ALA A1805 9.378 -9.681 -39.631 1.00 0.00 C ATOM 544 O ALA A1805 10.406 -9.297 -39.059 1.00 0.00 O ATOM 545 CB ALA A1805 8.211 -10.167 -37.368 1.00 0.00 C ATOM 0 H ALA A1805 6.136 -10.063 -39.591 1.00 0.00 H new ATOM 0 HA ALA A1805 7.701 -8.728 -38.888 1.00 0.00 H new ATOM 0 HB1 ALA A1805 8.987 -9.554 -36.908 1.00 0.00 H new ATOM 0 HB2 ALA A1805 7.269 -10.017 -36.840 1.00 0.00 H new ATOM 0 HB3 ALA A1805 8.496 -11.217 -37.310 1.00 0.00 H new ATOM 551 N THR A1806 9.397 -10.017 -40.925 1.00 0.00 N ATOM 552 CA THR A1806 10.605 -10.025 -41.781 1.00 0.00 C ATOM 553 C THR A1806 11.184 -8.636 -42.091 1.00 0.00 C ATOM 554 O THR A1806 12.287 -8.551 -42.637 1.00 0.00 O ATOM 555 CB THR A1806 10.350 -10.740 -43.117 1.00 0.00 C ATOM 556 OG1 THR A1806 9.291 -10.122 -43.821 1.00 0.00 O ATOM 557 CG2 THR A1806 9.999 -12.216 -42.924 1.00 0.00 C ATOM 0 H THR A1806 8.555 -10.299 -41.426 1.00 0.00 H new ATOM 0 HA THR A1806 11.339 -10.564 -41.183 1.00 0.00 H new ATOM 0 HB THR A1806 11.277 -10.668 -43.685 1.00 0.00 H new ATOM 0 HG1 THR A1806 9.145 -10.590 -44.669 1.00 0.00 H new ATOM 0 HG21 THR A1806 9.827 -12.679 -43.896 1.00 0.00 H new ATOM 0 HG22 THR A1806 10.822 -12.723 -42.421 1.00 0.00 H new ATOM 0 HG23 THR A1806 9.097 -12.299 -42.318 1.00 0.00 H new ATOM 565 N GLN A1807 10.483 -7.553 -41.727 1.00 0.00 N ATOM 566 CA GLN A1807 10.835 -6.139 -41.945 1.00 0.00 C ATOM 567 C GLN A1807 10.682 -5.685 -43.412 1.00 0.00 C ATOM 568 O GLN A1807 11.292 -4.693 -43.818 1.00 0.00 O ATOM 569 CB GLN A1807 12.205 -5.764 -41.331 1.00 0.00 C ATOM 570 CG GLN A1807 12.371 -6.187 -39.859 1.00 0.00 C ATOM 571 CD GLN A1807 11.279 -5.620 -38.947 1.00 0.00 C ATOM 572 OE1 GLN A1807 11.153 -4.417 -38.760 1.00 0.00 O ATOM 573 NE2 GLN A1807 10.454 -6.457 -38.352 1.00 0.00 N ATOM 0 H GLN A1807 9.593 -7.646 -41.238 1.00 0.00 H new ATOM 0 HA GLN A1807 10.091 -5.564 -41.393 1.00 0.00 H new ATOM 0 HB2 GLN A1807 12.995 -6.227 -41.922 1.00 0.00 H new ATOM 0 HB3 GLN A1807 12.342 -4.685 -41.406 1.00 0.00 H new ATOM 0 HG2 GLN A1807 12.361 -7.275 -39.796 1.00 0.00 H new ATOM 0 HG3 GLN A1807 13.345 -5.856 -39.499 1.00 0.00 H new ATOM 0 HE21 GLN A1807 10.551 -7.461 -38.501 1.00 0.00 H new ATOM 0 HE22 GLN A1807 9.718 -6.101 -37.742 1.00 0.00 H new ATOM 582 N PHE A1808 9.824 -6.344 -44.199 1.00 0.00 N ATOM 583 CA PHE A1808 9.393 -5.896 -45.535 1.00 0.00 C ATOM 584 C PHE A1808 7.860 -5.963 -45.709 1.00 0.00 C ATOM 585 O PHE A1808 7.204 -6.837 -45.133 1.00 0.00 O ATOM 586 CB PHE A1808 10.088 -6.743 -46.617 1.00 0.00 C ATOM 587 CG PHE A1808 11.598 -6.856 -46.479 1.00 0.00 C ATOM 588 CD1 PHE A1808 12.438 -5.837 -46.971 1.00 0.00 C ATOM 589 CD2 PHE A1808 12.165 -7.981 -45.848 1.00 0.00 C ATOM 590 CE1 PHE A1808 13.834 -5.940 -46.816 1.00 0.00 C ATOM 591 CE2 PHE A1808 13.556 -8.087 -45.699 1.00 0.00 C ATOM 592 CZ PHE A1808 14.392 -7.062 -46.183 1.00 0.00 C ATOM 0 H PHE A1808 9.397 -7.227 -43.920 1.00 0.00 H new ATOM 0 HA PHE A1808 9.683 -4.851 -45.641 1.00 0.00 H new ATOM 0 HB2 PHE A1808 9.661 -7.746 -46.600 1.00 0.00 H new ATOM 0 HB3 PHE A1808 9.859 -6.315 -47.593 1.00 0.00 H new ATOM 0 HD1 PHE A1808 12.011 -4.978 -47.467 1.00 0.00 H new ATOM 0 HD2 PHE A1808 11.524 -8.767 -45.476 1.00 0.00 H new ATOM 0 HE1 PHE A1808 14.477 -5.154 -47.185 1.00 0.00 H new ATOM 0 HE2 PHE A1808 13.984 -8.952 -45.215 1.00 0.00 H new ATOM 0 HZ PHE A1808 15.463 -7.139 -46.067 1.00 0.00 H new ATOM 602 N ILE A1809 7.300 -5.093 -46.561 1.00 0.00 N ATOM 603 CA ILE A1809 5.920 -5.186 -47.089 1.00 0.00 C ATOM 604 C ILE A1809 5.890 -4.921 -48.600 1.00 0.00 C ATOM 605 O ILE A1809 6.815 -4.320 -49.145 1.00 0.00 O ATOM 606 CB ILE A1809 4.924 -4.253 -46.352 1.00 0.00 C ATOM 607 CG1 ILE A1809 5.263 -2.751 -46.526 1.00 0.00 C ATOM 608 CG2 ILE A1809 4.788 -4.671 -44.879 1.00 0.00 C ATOM 609 CD1 ILE A1809 4.241 -1.800 -45.886 1.00 0.00 C ATOM 0 H ILE A1809 7.804 -4.280 -46.916 1.00 0.00 H new ATOM 0 HA ILE A1809 5.590 -6.208 -46.902 1.00 0.00 H new ATOM 0 HB ILE A1809 3.947 -4.374 -46.821 1.00 0.00 H new ATOM 0 HG12 ILE A1809 6.244 -2.558 -46.092 1.00 0.00 H new ATOM 0 HG13 ILE A1809 5.335 -2.527 -47.590 1.00 0.00 H new ATOM 0 HG21 ILE A1809 4.086 -4.007 -44.376 1.00 0.00 H new ATOM 0 HG22 ILE A1809 4.421 -5.696 -44.824 1.00 0.00 H new ATOM 0 HG23 ILE A1809 5.761 -4.607 -44.391 1.00 0.00 H new ATOM 0 HD11 ILE A1809 4.551 -0.768 -46.052 1.00 0.00 H new ATOM 0 HD12 ILE A1809 3.262 -1.962 -46.336 1.00 0.00 H new ATOM 0 HD13 ILE A1809 4.184 -1.994 -44.815 1.00 0.00 H new ATOM 621 N GLU A1810 4.824 -5.344 -49.286 1.00 0.00 N ATOM 622 CA GLU A1810 4.602 -5.084 -50.717 1.00 0.00 C ATOM 623 C GLU A1810 4.092 -3.657 -50.973 1.00 0.00 C ATOM 624 O GLU A1810 3.335 -3.097 -50.175 1.00 0.00 O ATOM 625 CB GLU A1810 3.580 -6.089 -51.279 1.00 0.00 C ATOM 626 CG GLU A1810 4.118 -7.524 -51.308 1.00 0.00 C ATOM 627 CD GLU A1810 3.059 -8.493 -51.870 1.00 0.00 C ATOM 628 OE1 GLU A1810 2.180 -8.958 -51.097 1.00 0.00 O ATOM 629 OE2 GLU A1810 3.112 -8.813 -53.083 1.00 0.00 O ATOM 0 H GLU A1810 4.075 -5.887 -48.857 1.00 0.00 H new ATOM 0 HA GLU A1810 5.563 -5.197 -51.219 1.00 0.00 H new ATOM 0 HB2 GLU A1810 2.674 -6.057 -50.674 1.00 0.00 H new ATOM 0 HB3 GLU A1810 3.299 -5.790 -52.289 1.00 0.00 H new ATOM 0 HG2 GLU A1810 5.019 -7.567 -51.920 1.00 0.00 H new ATOM 0 HG3 GLU A1810 4.402 -7.832 -50.301 1.00 0.00 H new ATOM 636 N TYR A1811 4.402 -3.089 -52.145 1.00 0.00 N ATOM 637 CA TYR A1811 3.865 -1.789 -52.580 1.00 0.00 C ATOM 638 C TYR A1811 2.323 -1.795 -52.662 1.00 0.00 C ATOM 639 O TYR A1811 1.675 -0.780 -52.405 1.00 0.00 O ATOM 640 CB TYR A1811 4.523 -1.385 -53.916 1.00 0.00 C ATOM 641 CG TYR A1811 4.705 0.111 -54.103 1.00 0.00 C ATOM 642 CD1 TYR A1811 3.600 0.932 -54.423 1.00 0.00 C ATOM 643 CD2 TYR A1811 5.976 0.690 -53.925 1.00 0.00 C ATOM 644 CE1 TYR A1811 3.777 2.323 -54.552 1.00 0.00 C ATOM 645 CE2 TYR A1811 6.153 2.082 -54.046 1.00 0.00 C ATOM 646 CZ TYR A1811 5.049 2.906 -54.355 1.00 0.00 C ATOM 647 OH TYR A1811 5.212 4.249 -54.469 1.00 0.00 O ATOM 0 H TYR A1811 5.034 -3.517 -52.822 1.00 0.00 H new ATOM 0 HA TYR A1811 4.114 -1.038 -51.831 1.00 0.00 H new ATOM 0 HB2 TYR A1811 5.498 -1.868 -53.987 1.00 0.00 H new ATOM 0 HB3 TYR A1811 3.916 -1.769 -54.736 1.00 0.00 H new ATOM 0 HD1 TYR A1811 2.623 0.494 -54.568 1.00 0.00 H new ATOM 0 HD2 TYR A1811 6.823 0.061 -53.694 1.00 0.00 H new ATOM 0 HE1 TYR A1811 2.934 2.949 -54.804 1.00 0.00 H new ATOM 0 HE2 TYR A1811 7.131 2.518 -53.903 1.00 0.00 H new ATOM 0 HH TYR A1811 6.149 4.480 -54.301 1.00 0.00 H new ATOM 657 N SER A1812 1.730 -2.967 -52.937 1.00 0.00 N ATOM 658 CA SER A1812 0.286 -3.246 -52.949 1.00 0.00 C ATOM 659 C SER A1812 -0.422 -3.059 -51.596 1.00 0.00 C ATOM 660 O SER A1812 -1.647 -2.918 -51.571 1.00 0.00 O ATOM 661 CB SER A1812 0.052 -4.691 -53.417 1.00 0.00 C ATOM 662 OG SER A1812 0.699 -4.940 -54.661 1.00 0.00 O ATOM 0 H SER A1812 2.279 -3.794 -53.171 1.00 0.00 H new ATOM 0 HA SER A1812 -0.145 -2.512 -53.630 1.00 0.00 H new ATOM 0 HB2 SER A1812 0.426 -5.385 -52.664 1.00 0.00 H new ATOM 0 HB3 SER A1812 -1.018 -4.875 -53.517 1.00 0.00 H new ATOM 0 HG SER A1812 0.536 -5.867 -54.935 1.00 0.00 H new ATOM 668 N VAL A1813 0.316 -3.008 -50.479 1.00 0.00 N ATOM 669 CA VAL A1813 -0.203 -2.718 -49.124 1.00 0.00 C ATOM 670 C VAL A1813 0.464 -1.511 -48.454 1.00 0.00 C ATOM 671 O VAL A1813 -0.077 -0.987 -47.481 1.00 0.00 O ATOM 672 CB VAL A1813 -0.162 -3.946 -48.195 1.00 0.00 C ATOM 673 CG1 VAL A1813 -1.011 -5.095 -48.748 1.00 0.00 C ATOM 674 CG2 VAL A1813 1.252 -4.465 -47.933 1.00 0.00 C ATOM 0 H VAL A1813 1.323 -3.172 -50.487 1.00 0.00 H new ATOM 0 HA VAL A1813 -1.248 -2.453 -49.284 1.00 0.00 H new ATOM 0 HB VAL A1813 -0.573 -3.597 -47.248 1.00 0.00 H new ATOM 0 HG11 VAL A1813 -0.960 -5.945 -48.068 1.00 0.00 H new ATOM 0 HG12 VAL A1813 -2.047 -4.769 -48.844 1.00 0.00 H new ATOM 0 HG13 VAL A1813 -0.632 -5.390 -49.726 1.00 0.00 H new ATOM 0 HG21 VAL A1813 1.205 -5.330 -47.271 1.00 0.00 H new ATOM 0 HG22 VAL A1813 1.714 -4.754 -48.877 1.00 0.00 H new ATOM 0 HG23 VAL A1813 1.846 -3.681 -47.464 1.00 0.00 H new ATOM 684 N LEU A1814 1.582 -1.009 -48.994 1.00 0.00 N ATOM 685 CA LEU A1814 2.245 0.219 -48.564 1.00 0.00 C ATOM 686 C LEU A1814 1.282 1.417 -48.506 1.00 0.00 C ATOM 687 O LEU A1814 1.340 2.196 -47.559 1.00 0.00 O ATOM 688 CB LEU A1814 3.406 0.516 -49.529 1.00 0.00 C ATOM 689 CG LEU A1814 4.208 1.797 -49.214 1.00 0.00 C ATOM 690 CD1 LEU A1814 5.015 1.667 -47.921 1.00 0.00 C ATOM 691 CD2 LEU A1814 5.183 2.093 -50.352 1.00 0.00 C ATOM 0 H LEU A1814 2.063 -1.466 -49.769 1.00 0.00 H new ATOM 0 HA LEU A1814 2.618 0.069 -47.551 1.00 0.00 H new ATOM 0 HB2 LEU A1814 4.090 -0.333 -49.522 1.00 0.00 H new ATOM 0 HB3 LEU A1814 3.006 0.596 -50.540 1.00 0.00 H new ATOM 0 HG LEU A1814 3.485 2.604 -49.098 1.00 0.00 H new ATOM 0 HD11 LEU A1814 5.563 2.592 -47.740 1.00 0.00 H new ATOM 0 HD12 LEU A1814 4.339 1.477 -47.088 1.00 0.00 H new ATOM 0 HD13 LEU A1814 5.719 0.840 -48.013 1.00 0.00 H new ATOM 0 HD21 LEU A1814 5.745 2.998 -50.123 1.00 0.00 H new ATOM 0 HD22 LEU A1814 5.872 1.257 -50.467 1.00 0.00 H new ATOM 0 HD23 LEU A1814 4.628 2.236 -51.279 1.00 0.00 H new ATOM 703 N SER A1815 0.391 1.564 -49.492 1.00 0.00 N ATOM 704 CA SER A1815 -0.602 2.647 -49.552 1.00 0.00 C ATOM 705 C SER A1815 -1.658 2.590 -48.442 1.00 0.00 C ATOM 706 O SER A1815 -2.074 3.633 -47.926 1.00 0.00 O ATOM 707 CB SER A1815 -1.268 2.657 -50.934 1.00 0.00 C ATOM 708 OG SER A1815 -1.774 1.366 -51.265 1.00 0.00 O ATOM 0 H SER A1815 0.337 0.924 -50.285 1.00 0.00 H new ATOM 0 HA SER A1815 -0.059 3.578 -49.387 1.00 0.00 H new ATOM 0 HB2 SER A1815 -2.080 3.384 -50.945 1.00 0.00 H new ATOM 0 HB3 SER A1815 -0.547 2.973 -51.687 1.00 0.00 H new ATOM 0 HG SER A1815 -2.196 1.397 -52.149 1.00 0.00 H new ATOM 714 N ASP A1816 -2.077 1.391 -48.035 1.00 0.00 N ATOM 715 CA ASP A1816 -2.997 1.204 -46.907 1.00 0.00 C ATOM 716 C ASP A1816 -2.284 1.378 -45.550 1.00 0.00 C ATOM 717 O ASP A1816 -2.825 2.029 -44.654 1.00 0.00 O ATOM 718 CB ASP A1816 -3.678 -0.167 -47.014 1.00 0.00 C ATOM 719 CG ASP A1816 -4.945 -0.238 -46.145 1.00 0.00 C ATOM 720 OD1 ASP A1816 -5.855 0.606 -46.336 1.00 0.00 O ATOM 721 OD2 ASP A1816 -5.060 -1.153 -45.296 1.00 0.00 O ATOM 0 H ASP A1816 -1.788 0.519 -48.478 1.00 0.00 H new ATOM 0 HA ASP A1816 -3.762 1.979 -46.956 1.00 0.00 H new ATOM 0 HB2 ASP A1816 -3.938 -0.365 -48.054 1.00 0.00 H new ATOM 0 HB3 ASP A1816 -2.980 -0.946 -46.706 1.00 0.00 H new ATOM 726 N PHE A1817 -1.048 0.883 -45.416 1.00 0.00 N ATOM 727 CA PHE A1817 -0.168 1.135 -44.271 1.00 0.00 C ATOM 728 C PHE A1817 0.083 2.635 -44.066 1.00 0.00 C ATOM 729 O PHE A1817 -0.166 3.155 -42.978 1.00 0.00 O ATOM 730 CB PHE A1817 1.159 0.372 -44.445 1.00 0.00 C ATOM 731 CG PHE A1817 2.210 0.720 -43.401 1.00 0.00 C ATOM 732 CD1 PHE A1817 1.952 0.494 -42.034 1.00 0.00 C ATOM 733 CD2 PHE A1817 3.434 1.308 -43.783 1.00 0.00 C ATOM 734 CE1 PHE A1817 2.898 0.859 -41.062 1.00 0.00 C ATOM 735 CE2 PHE A1817 4.383 1.661 -42.810 1.00 0.00 C ATOM 736 CZ PHE A1817 4.116 1.436 -41.447 1.00 0.00 C ATOM 0 H PHE A1817 -0.622 0.280 -46.120 1.00 0.00 H new ATOM 0 HA PHE A1817 -0.669 0.769 -43.375 1.00 0.00 H new ATOM 0 HB2 PHE A1817 0.960 -0.699 -44.403 1.00 0.00 H new ATOM 0 HB3 PHE A1817 1.561 0.583 -45.436 1.00 0.00 H new ATOM 0 HD1 PHE A1817 1.021 0.037 -41.732 1.00 0.00 H new ATOM 0 HD2 PHE A1817 3.642 1.487 -44.827 1.00 0.00 H new ATOM 0 HE1 PHE A1817 2.686 0.695 -40.016 1.00 0.00 H new ATOM 0 HE2 PHE A1817 5.320 2.106 -43.109 1.00 0.00 H new ATOM 0 HZ PHE A1817 4.847 1.707 -40.700 1.00 0.00 H new ATOM 746 N ALA A1818 0.507 3.342 -45.117 1.00 0.00 N ATOM 747 CA ALA A1818 0.775 4.782 -45.129 1.00 0.00 C ATOM 748 C ALA A1818 -0.403 5.638 -44.633 1.00 0.00 C ATOM 749 O ALA A1818 -0.171 6.696 -44.047 1.00 0.00 O ATOM 750 CB ALA A1818 1.178 5.187 -46.554 1.00 0.00 C ATOM 0 H ALA A1818 0.680 2.907 -46.023 1.00 0.00 H new ATOM 0 HA ALA A1818 1.584 4.974 -44.424 1.00 0.00 H new ATOM 0 HB1 ALA A1818 1.382 6.257 -46.584 1.00 0.00 H new ATOM 0 HB2 ALA A1818 2.073 4.639 -46.849 1.00 0.00 H new ATOM 0 HB3 ALA A1818 0.366 4.953 -47.242 1.00 0.00 H new ATOM 756 N ASP A1819 -1.651 5.212 -44.832 1.00 0.00 N ATOM 757 CA ASP A1819 -2.854 5.902 -44.353 1.00 0.00 C ATOM 758 C ASP A1819 -3.242 5.548 -42.900 1.00 0.00 C ATOM 759 O ASP A1819 -3.870 6.354 -42.209 1.00 0.00 O ATOM 760 CB ASP A1819 -4.001 5.547 -45.303 1.00 0.00 C ATOM 761 CG ASP A1819 -5.296 6.322 -44.999 1.00 0.00 C ATOM 762 OD1 ASP A1819 -5.345 7.545 -45.267 1.00 0.00 O ATOM 763 OD2 ASP A1819 -6.278 5.693 -44.537 1.00 0.00 O ATOM 0 H ASP A1819 -1.861 4.355 -45.344 1.00 0.00 H new ATOM 0 HA ASP A1819 -2.647 6.972 -44.346 1.00 0.00 H new ATOM 0 HB2 ASP A1819 -3.693 5.753 -46.328 1.00 0.00 H new ATOM 0 HB3 ASP A1819 -4.201 4.477 -45.239 1.00 0.00 H new ATOM 768 N ALA A1820 -2.876 4.346 -42.439 1.00 0.00 N ATOM 769 CA ALA A1820 -3.343 3.744 -41.183 1.00 0.00 C ATOM 770 C ALA A1820 -2.574 4.222 -39.938 1.00 0.00 C ATOM 771 O ALA A1820 -3.046 4.053 -38.809 1.00 0.00 O ATOM 772 CB ALA A1820 -3.247 2.220 -41.319 1.00 0.00 C ATOM 0 H ALA A1820 -2.226 3.746 -42.946 1.00 0.00 H new ATOM 0 HA ALA A1820 -4.373 4.064 -41.025 1.00 0.00 H new ATOM 0 HB1 ALA A1820 -3.589 1.750 -40.397 1.00 0.00 H new ATOM 0 HB2 ALA A1820 -3.872 1.889 -42.148 1.00 0.00 H new ATOM 0 HB3 ALA A1820 -2.212 1.936 -41.509 1.00 0.00 H new ATOM 778 N LEU A1821 -1.393 4.815 -40.133 1.00 0.00 N ATOM 779 CA LEU A1821 -0.582 5.453 -39.098 1.00 0.00 C ATOM 780 C LEU A1821 -1.260 6.737 -38.572 1.00 0.00 C ATOM 781 O LEU A1821 -2.224 7.235 -39.158 1.00 0.00 O ATOM 782 CB LEU A1821 0.792 5.764 -39.717 1.00 0.00 C ATOM 783 CG LEU A1821 1.584 4.508 -40.123 1.00 0.00 C ATOM 784 CD1 LEU A1821 2.273 4.767 -41.454 1.00 0.00 C ATOM 785 CD2 LEU A1821 2.635 4.129 -39.087 1.00 0.00 C ATOM 0 H LEU A1821 -0.960 4.865 -41.055 1.00 0.00 H new ATOM 0 HA LEU A1821 -0.470 4.789 -38.241 1.00 0.00 H new ATOM 0 HB2 LEU A1821 0.651 6.394 -40.595 1.00 0.00 H new ATOM 0 HB3 LEU A1821 1.381 6.340 -39.003 1.00 0.00 H new ATOM 0 HG LEU A1821 0.879 3.680 -40.200 1.00 0.00 H new ATOM 0 HD11 LEU A1821 2.837 3.882 -41.750 1.00 0.00 H new ATOM 0 HD12 LEU A1821 1.524 4.991 -42.214 1.00 0.00 H new ATOM 0 HD13 LEU A1821 2.952 5.613 -41.353 1.00 0.00 H new ATOM 0 HD21 LEU A1821 3.167 3.237 -39.418 1.00 0.00 H new ATOM 0 HD22 LEU A1821 3.342 4.950 -38.968 1.00 0.00 H new ATOM 0 HD23 LEU A1821 2.149 3.928 -38.132 1.00 0.00 H new ATOM 797 N SER A1822 -0.734 7.314 -37.493 1.00 0.00 N ATOM 798 CA SER A1822 -1.102 8.667 -37.044 1.00 0.00 C ATOM 799 C SER A1822 -0.355 9.752 -37.833 1.00 0.00 C ATOM 800 O SER A1822 0.773 9.561 -38.291 1.00 0.00 O ATOM 801 CB SER A1822 -0.808 8.839 -35.550 1.00 0.00 C ATOM 802 OG SER A1822 -1.577 7.930 -34.780 1.00 0.00 O ATOM 0 H SER A1822 -0.039 6.860 -36.900 1.00 0.00 H new ATOM 0 HA SER A1822 -2.171 8.782 -37.224 1.00 0.00 H new ATOM 0 HB2 SER A1822 0.253 8.676 -35.362 1.00 0.00 H new ATOM 0 HB3 SER A1822 -1.032 9.861 -35.246 1.00 0.00 H new ATOM 0 HG SER A1822 -1.374 8.054 -33.829 1.00 0.00 H new ATOM 808 N GLU A1823 -0.967 10.929 -37.958 1.00 0.00 N ATOM 809 CA GLU A1823 -0.277 12.160 -38.384 1.00 0.00 C ATOM 810 C GLU A1823 0.776 12.571 -37.324 1.00 0.00 C ATOM 811 O GLU A1823 0.569 12.287 -36.134 1.00 0.00 O ATOM 812 CB GLU A1823 -1.327 13.273 -38.599 1.00 0.00 C ATOM 813 CG GLU A1823 -2.205 12.978 -39.829 1.00 0.00 C ATOM 814 CD GLU A1823 -3.391 13.941 -40.018 1.00 0.00 C ATOM 815 OE1 GLU A1823 -3.320 15.127 -39.602 1.00 0.00 O ATOM 816 OE2 GLU A1823 -4.411 13.513 -40.620 1.00 0.00 O ATOM 0 H GLU A1823 -1.960 11.063 -37.767 1.00 0.00 H new ATOM 0 HA GLU A1823 0.250 11.991 -39.323 1.00 0.00 H new ATOM 0 HB2 GLU A1823 -1.955 13.360 -37.713 1.00 0.00 H new ATOM 0 HB3 GLU A1823 -0.824 14.231 -38.729 1.00 0.00 H new ATOM 0 HG2 GLU A1823 -1.580 13.013 -40.721 1.00 0.00 H new ATOM 0 HG3 GLU A1823 -2.589 11.961 -39.749 1.00 0.00 H new ATOM 823 N PRO A1824 1.884 13.247 -37.701 1.00 0.00 N ATOM 824 CA PRO A1824 2.209 13.753 -39.043 1.00 0.00 C ATOM 825 C PRO A1824 2.853 12.734 -40.008 1.00 0.00 C ATOM 826 O PRO A1824 2.927 13.027 -41.203 1.00 0.00 O ATOM 827 CB PRO A1824 3.162 14.919 -38.770 1.00 0.00 C ATOM 828 CG PRO A1824 3.943 14.444 -37.546 1.00 0.00 C ATOM 829 CD PRO A1824 2.873 13.717 -36.738 1.00 0.00 C ATOM 0 HA PRO A1824 1.292 14.024 -39.565 1.00 0.00 H new ATOM 0 HB2 PRO A1824 3.819 15.111 -39.619 1.00 0.00 H new ATOM 0 HB3 PRO A1824 2.621 15.844 -38.570 1.00 0.00 H new ATOM 0 HG2 PRO A1824 4.765 13.783 -37.820 1.00 0.00 H new ATOM 0 HG3 PRO A1824 4.375 15.277 -36.991 1.00 0.00 H new ATOM 0 HD2 PRO A1824 3.304 12.883 -36.184 1.00 0.00 H new ATOM 0 HD3 PRO A1824 2.417 14.384 -36.006 1.00 0.00 H new ATOM 837 N LEU A1825 3.295 11.553 -39.550 1.00 0.00 N ATOM 838 CA LEU A1825 3.936 10.531 -40.394 1.00 0.00 C ATOM 839 C LEU A1825 3.036 10.031 -41.535 1.00 0.00 C ATOM 840 O LEU A1825 3.509 9.877 -42.663 1.00 0.00 O ATOM 841 CB LEU A1825 4.378 9.316 -39.554 1.00 0.00 C ATOM 842 CG LEU A1825 5.784 9.458 -38.949 1.00 0.00 C ATOM 843 CD1 LEU A1825 5.811 10.391 -37.745 1.00 0.00 C ATOM 844 CD2 LEU A1825 6.307 8.086 -38.510 1.00 0.00 C ATOM 0 H LEU A1825 3.217 11.277 -38.571 1.00 0.00 H new ATOM 0 HA LEU A1825 4.801 11.025 -40.837 1.00 0.00 H new ATOM 0 HB2 LEU A1825 3.660 9.163 -38.748 1.00 0.00 H new ATOM 0 HB3 LEU A1825 4.350 8.424 -40.180 1.00 0.00 H new ATOM 0 HG LEU A1825 6.417 9.885 -39.727 1.00 0.00 H new ATOM 0 HD11 LEU A1825 6.828 10.455 -37.357 1.00 0.00 H new ATOM 0 HD12 LEU A1825 5.474 11.383 -38.046 1.00 0.00 H new ATOM 0 HD13 LEU A1825 5.150 10.003 -36.969 1.00 0.00 H new ATOM 0 HD21 LEU A1825 7.304 8.196 -38.083 1.00 0.00 H new ATOM 0 HD22 LEU A1825 5.636 7.663 -37.762 1.00 0.00 H new ATOM 0 HD23 LEU A1825 6.354 7.421 -39.373 1.00 0.00 H new ATOM 856 N ARG A1826 1.760 9.742 -41.238 1.00 0.00 N ATOM 857 CA ARG A1826 0.813 9.161 -42.204 1.00 0.00 C ATOM 858 C ARG A1826 0.577 10.069 -43.420 1.00 0.00 C ATOM 859 O ARG A1826 0.630 11.291 -43.322 1.00 0.00 O ATOM 860 CB ARG A1826 -0.480 8.742 -41.475 1.00 0.00 C ATOM 861 CG ARG A1826 -1.595 9.786 -41.347 1.00 0.00 C ATOM 862 CD ARG A1826 -2.604 9.737 -42.497 1.00 0.00 C ATOM 863 NE ARG A1826 -3.803 10.527 -42.168 1.00 0.00 N ATOM 864 CZ ARG A1826 -4.875 10.128 -41.510 1.00 0.00 C ATOM 865 NH1 ARG A1826 -5.122 8.873 -41.259 1.00 0.00 N ATOM 866 NH2 ARG A1826 -5.713 11.017 -41.068 1.00 0.00 N ATOM 0 H ARG A1826 1.353 9.905 -40.317 1.00 0.00 H new ATOM 0 HA ARG A1826 1.253 8.259 -42.630 1.00 0.00 H new ATOM 0 HB2 ARG A1826 -0.890 7.874 -41.992 1.00 0.00 H new ATOM 0 HB3 ARG A1826 -0.209 8.416 -40.471 1.00 0.00 H new ATOM 0 HG2 ARG A1826 -2.121 9.633 -40.405 1.00 0.00 H new ATOM 0 HG3 ARG A1826 -1.150 10.780 -41.305 1.00 0.00 H new ATOM 0 HD2 ARG A1826 -2.145 10.124 -43.407 1.00 0.00 H new ATOM 0 HD3 ARG A1826 -2.886 8.703 -42.697 1.00 0.00 H new ATOM 0 HE ARG A1826 -3.805 11.496 -42.486 1.00 0.00 H new ATOM 0 HH11 ARG A1826 -4.473 8.152 -41.575 1.00 0.00 H new ATOM 0 HH12 ARG A1826 -5.964 8.612 -40.746 1.00 0.00 H new ATOM 0 HH21 ARG A1826 -5.538 12.009 -41.231 1.00 0.00 H new ATOM 0 HH22 ARG A1826 -6.546 10.723 -40.558 1.00 0.00 H new ATOM 880 N ILE A1827 0.237 9.457 -44.550 1.00 0.00 N ATOM 881 CA ILE A1827 -0.032 10.103 -45.840 1.00 0.00 C ATOM 882 C ILE A1827 -1.479 9.786 -46.221 1.00 0.00 C ATOM 883 O ILE A1827 -1.789 8.675 -46.656 1.00 0.00 O ATOM 884 CB ILE A1827 0.990 9.678 -46.923 1.00 0.00 C ATOM 885 CG1 ILE A1827 2.464 9.890 -46.486 1.00 0.00 C ATOM 886 CG2 ILE A1827 0.756 10.498 -48.205 1.00 0.00 C ATOM 887 CD1 ILE A1827 3.104 8.652 -45.846 1.00 0.00 C ATOM 0 H ILE A1827 0.135 8.443 -44.598 1.00 0.00 H new ATOM 0 HA ILE A1827 0.088 11.183 -45.759 1.00 0.00 H new ATOM 0 HB ILE A1827 0.834 8.612 -47.091 1.00 0.00 H new ATOM 0 HG12 ILE A1827 3.052 10.183 -47.355 1.00 0.00 H new ATOM 0 HG13 ILE A1827 2.508 10.717 -45.778 1.00 0.00 H new ATOM 0 HG21 ILE A1827 1.476 10.197 -48.966 1.00 0.00 H new ATOM 0 HG22 ILE A1827 -0.255 10.320 -48.572 1.00 0.00 H new ATOM 0 HG23 ILE A1827 0.881 11.559 -47.986 1.00 0.00 H new ATOM 0 HD11 ILE A1827 4.133 8.878 -45.567 1.00 0.00 H new ATOM 0 HD12 ILE A1827 2.541 8.370 -44.957 1.00 0.00 H new ATOM 0 HD13 ILE A1827 3.094 7.827 -46.559 1.00 0.00 H new ATOM 899 N ALA A1828 -2.386 10.736 -45.972 1.00 0.00 N ATOM 900 CA ALA A1828 -3.830 10.561 -46.128 1.00 0.00 C ATOM 901 C ALA A1828 -4.217 10.180 -47.576 1.00 0.00 C ATOM 902 O ALA A1828 -3.731 10.784 -48.538 1.00 0.00 O ATOM 903 CB ALA A1828 -4.529 11.851 -45.671 1.00 0.00 C ATOM 0 H ALA A1828 -2.129 11.669 -45.649 1.00 0.00 H new ATOM 0 HA ALA A1828 -4.159 9.729 -45.506 1.00 0.00 H new ATOM 0 HB1 ALA A1828 -5.608 11.739 -45.780 1.00 0.00 H new ATOM 0 HB2 ALA A1828 -4.288 12.044 -44.626 1.00 0.00 H new ATOM 0 HB3 ALA A1828 -4.187 12.686 -46.282 1.00 0.00 H new ATOM 909 N LYS A1829 -5.115 9.196 -47.728 1.00 0.00 N ATOM 910 CA LYS A1829 -5.649 8.761 -49.033 1.00 0.00 C ATOM 911 C LYS A1829 -6.362 9.898 -49.804 1.00 0.00 C ATOM 912 O LYS A1829 -7.006 10.745 -49.171 1.00 0.00 O ATOM 913 CB LYS A1829 -6.635 7.598 -48.833 1.00 0.00 C ATOM 914 CG LYS A1829 -5.925 6.261 -48.589 1.00 0.00 C ATOM 915 CD LYS A1829 -6.930 5.215 -48.084 1.00 0.00 C ATOM 916 CE LYS A1829 -6.222 3.897 -47.746 1.00 0.00 C ATOM 917 NZ LYS A1829 -7.105 2.993 -46.968 1.00 0.00 N ATOM 0 H LYS A1829 -5.497 8.672 -46.941 1.00 0.00 H new ATOM 0 HA LYS A1829 -4.793 8.445 -49.630 1.00 0.00 H new ATOM 0 HB2 LYS A1829 -7.286 7.819 -47.987 1.00 0.00 H new ATOM 0 HB3 LYS A1829 -7.273 7.512 -49.713 1.00 0.00 H new ATOM 0 HG2 LYS A1829 -5.459 5.914 -49.511 1.00 0.00 H new ATOM 0 HG3 LYS A1829 -5.127 6.392 -47.859 1.00 0.00 H new ATOM 0 HD2 LYS A1829 -7.443 5.594 -47.200 1.00 0.00 H new ATOM 0 HD3 LYS A1829 -7.691 5.039 -48.844 1.00 0.00 H new ATOM 0 HE2 LYS A1829 -5.912 3.402 -48.666 1.00 0.00 H new ATOM 0 HE3 LYS A1829 -5.317 4.104 -47.175 1.00 0.00 H new ATOM 0 HZ1 LYS A1829 -6.597 2.111 -46.755 1.00 0.00 H new ATOM 0 HZ2 LYS A1829 -7.380 3.457 -46.079 1.00 0.00 H new ATOM 0 HZ3 LYS A1829 -7.957 2.777 -47.524 1.00 0.00 H new ATOM 931 N PRO A1830 -6.344 9.882 -51.160 1.00 0.00 N ATOM 932 CA PRO A1830 -5.514 9.019 -52.011 1.00 0.00 C ATOM 933 C PRO A1830 -4.030 9.429 -51.950 1.00 0.00 C ATOM 934 O PRO A1830 -3.692 10.612 -52.033 1.00 0.00 O ATOM 935 CB PRO A1830 -6.095 9.179 -53.418 1.00 0.00 C ATOM 936 CG PRO A1830 -6.655 10.601 -53.416 1.00 0.00 C ATOM 937 CD PRO A1830 -7.136 10.788 -51.982 1.00 0.00 C ATOM 0 HA PRO A1830 -5.534 7.979 -51.685 1.00 0.00 H new ATOM 0 HB2 PRO A1830 -5.331 9.050 -54.184 1.00 0.00 H new ATOM 0 HB3 PRO A1830 -6.873 8.442 -53.617 1.00 0.00 H new ATOM 0 HG2 PRO A1830 -5.893 11.333 -53.683 1.00 0.00 H new ATOM 0 HG3 PRO A1830 -7.470 10.713 -54.131 1.00 0.00 H new ATOM 0 HD2 PRO A1830 -7.003 11.821 -51.660 1.00 0.00 H new ATOM 0 HD3 PRO A1830 -8.199 10.561 -51.896 1.00 0.00 H new ATOM 945 N ASN A1831 -3.140 8.439 -51.800 1.00 0.00 N ATOM 946 CA ASN A1831 -1.705 8.641 -51.525 1.00 0.00 C ATOM 947 C ASN A1831 -0.749 7.977 -52.532 1.00 0.00 C ATOM 948 O ASN A1831 0.462 8.141 -52.404 1.00 0.00 O ATOM 949 CB ASN A1831 -1.399 8.218 -50.074 1.00 0.00 C ATOM 950 CG ASN A1831 -1.751 6.774 -49.737 1.00 0.00 C ATOM 951 OD1 ASN A1831 -1.852 5.912 -50.594 1.00 0.00 O ATOM 952 ND2 ASN A1831 -1.959 6.470 -48.480 1.00 0.00 N ATOM 0 H ASN A1831 -3.399 7.455 -51.867 1.00 0.00 H new ATOM 0 HA ASN A1831 -1.511 9.706 -51.652 1.00 0.00 H new ATOM 0 HB2 ASN A1831 -0.337 8.371 -49.883 1.00 0.00 H new ATOM 0 HB3 ASN A1831 -1.943 8.876 -49.397 1.00 0.00 H new ATOM 0 HD21 ASN A1831 -2.205 5.515 -48.220 1.00 0.00 H new ATOM 0 HD22 ASN A1831 -1.875 7.189 -47.761 1.00 0.00 H new ATOM 959 N GLN A1832 -1.241 7.266 -53.553 1.00 0.00 N ATOM 960 CA GLN A1832 -0.390 6.572 -54.532 1.00 0.00 C ATOM 961 C GLN A1832 0.628 7.502 -55.226 1.00 0.00 C ATOM 962 O GLN A1832 1.806 7.170 -55.308 1.00 0.00 O ATOM 963 CB GLN A1832 -1.254 5.774 -55.532 1.00 0.00 C ATOM 964 CG GLN A1832 -2.160 6.618 -56.450 1.00 0.00 C ATOM 965 CD GLN A1832 -3.063 5.738 -57.315 1.00 0.00 C ATOM 966 OE1 GLN A1832 -2.782 5.448 -58.471 1.00 0.00 O ATOM 967 NE2 GLN A1832 -4.176 5.265 -56.794 1.00 0.00 N ATOM 0 H GLN A1832 -2.240 7.154 -53.726 1.00 0.00 H new ATOM 0 HA GLN A1832 0.222 5.859 -53.980 1.00 0.00 H new ATOM 0 HB2 GLN A1832 -0.593 5.173 -56.157 1.00 0.00 H new ATOM 0 HB3 GLN A1832 -1.880 5.081 -54.971 1.00 0.00 H new ATOM 0 HG2 GLN A1832 -2.774 7.284 -55.843 1.00 0.00 H new ATOM 0 HG3 GLN A1832 -1.543 7.248 -57.091 1.00 0.00 H new ATOM 0 HE21 GLN A1832 -4.427 5.495 -55.833 1.00 0.00 H new ATOM 0 HE22 GLN A1832 -4.787 4.668 -57.352 1.00 0.00 H new ATOM 976 N ILE A1833 0.202 8.701 -55.636 1.00 0.00 N ATOM 977 CA ILE A1833 1.075 9.739 -56.215 1.00 0.00 C ATOM 978 C ILE A1833 2.081 10.235 -55.168 1.00 0.00 C ATOM 979 O ILE A1833 3.278 10.317 -55.438 1.00 0.00 O ATOM 980 CB ILE A1833 0.218 10.902 -56.783 1.00 0.00 C ATOM 981 CG1 ILE A1833 -0.670 10.411 -57.949 1.00 0.00 C ATOM 982 CG2 ILE A1833 1.108 12.063 -57.275 1.00 0.00 C ATOM 983 CD1 ILE A1833 -1.817 11.370 -58.287 1.00 0.00 C ATOM 0 H ILE A1833 -0.775 8.987 -55.576 1.00 0.00 H new ATOM 0 HA ILE A1833 1.643 9.310 -57.040 1.00 0.00 H new ATOM 0 HB ILE A1833 -0.417 11.262 -55.973 1.00 0.00 H new ATOM 0 HG12 ILE A1833 -0.050 10.272 -58.834 1.00 0.00 H new ATOM 0 HG13 ILE A1833 -1.085 9.436 -57.694 1.00 0.00 H new ATOM 0 HG21 ILE A1833 0.479 12.862 -57.667 1.00 0.00 H new ATOM 0 HG22 ILE A1833 1.702 12.443 -56.444 1.00 0.00 H new ATOM 0 HG23 ILE A1833 1.772 11.704 -58.062 1.00 0.00 H new ATOM 0 HD11 ILE A1833 -2.399 10.963 -59.114 1.00 0.00 H new ATOM 0 HD12 ILE A1833 -2.460 11.490 -57.415 1.00 0.00 H new ATOM 0 HD13 ILE A1833 -1.409 12.339 -58.573 1.00 0.00 H new ATOM 995 N SER A1834 1.607 10.548 -53.960 1.00 0.00 N ATOM 996 CA SER A1834 2.399 11.020 -52.815 1.00 0.00 C ATOM 997 C SER A1834 3.515 10.048 -52.400 1.00 0.00 C ATOM 998 O SER A1834 4.590 10.484 -51.979 1.00 0.00 O ATOM 999 CB SER A1834 1.463 11.280 -51.624 1.00 0.00 C ATOM 1000 OG SER A1834 0.463 12.214 -51.985 1.00 0.00 O ATOM 0 H SER A1834 0.614 10.477 -53.740 1.00 0.00 H new ATOM 0 HA SER A1834 2.894 11.940 -53.127 1.00 0.00 H new ATOM 0 HB2 SER A1834 1.001 10.346 -51.304 1.00 0.00 H new ATOM 0 HB3 SER A1834 2.036 11.658 -50.777 1.00 0.00 H new ATOM 0 HG SER A1834 -0.129 12.371 -51.220 1.00 0.00 H new ATOM 1006 N LEU A1835 3.275 8.741 -52.543 1.00 0.00 N ATOM 1007 CA LEU A1835 4.224 7.644 -52.327 1.00 0.00 C ATOM 1008 C LEU A1835 5.190 7.458 -53.512 1.00 0.00 C ATOM 1009 O LEU A1835 6.395 7.325 -53.298 1.00 0.00 O ATOM 1010 CB LEU A1835 3.431 6.348 -52.064 1.00 0.00 C ATOM 1011 CG LEU A1835 2.706 6.347 -50.708 1.00 0.00 C ATOM 1012 CD1 LEU A1835 1.600 5.298 -50.688 1.00 0.00 C ATOM 1013 CD2 LEU A1835 3.648 6.021 -49.554 1.00 0.00 C ATOM 0 H LEU A1835 2.358 8.400 -52.830 1.00 0.00 H new ATOM 0 HA LEU A1835 4.842 7.891 -51.464 1.00 0.00 H new ATOM 0 HB2 LEU A1835 2.699 6.209 -52.860 1.00 0.00 H new ATOM 0 HB3 LEU A1835 4.112 5.498 -52.105 1.00 0.00 H new ATOM 0 HG LEU A1835 2.301 7.351 -50.583 1.00 0.00 H new ATOM 0 HD11 LEU A1835 1.100 5.315 -49.719 1.00 0.00 H new ATOM 0 HD12 LEU A1835 0.877 5.517 -51.473 1.00 0.00 H new ATOM 0 HD13 LEU A1835 2.031 4.311 -50.857 1.00 0.00 H new ATOM 0 HD21 LEU A1835 3.092 6.032 -48.616 1.00 0.00 H new ATOM 0 HD22 LEU A1835 4.083 5.033 -49.707 1.00 0.00 H new ATOM 0 HD23 LEU A1835 4.444 6.765 -49.513 1.00 0.00 H new ATOM 1025 N ILE A1836 4.706 7.520 -54.763 1.00 0.00 N ATOM 1026 CA ILE A1836 5.535 7.453 -55.990 1.00 0.00 C ATOM 1027 C ILE A1836 6.585 8.580 -56.029 1.00 0.00 C ATOM 1028 O ILE A1836 7.692 8.381 -56.538 1.00 0.00 O ATOM 1029 CB ILE A1836 4.621 7.423 -57.247 1.00 0.00 C ATOM 1030 CG1 ILE A1836 3.967 6.022 -57.375 1.00 0.00 C ATOM 1031 CG2 ILE A1836 5.370 7.757 -58.554 1.00 0.00 C ATOM 1032 CD1 ILE A1836 2.781 5.951 -58.343 1.00 0.00 C ATOM 0 H ILE A1836 3.710 7.620 -54.960 1.00 0.00 H new ATOM 0 HA ILE A1836 6.106 6.525 -55.982 1.00 0.00 H new ATOM 0 HB ILE A1836 3.866 8.196 -57.107 1.00 0.00 H new ATOM 0 HG12 ILE A1836 4.726 5.311 -57.700 1.00 0.00 H new ATOM 0 HG13 ILE A1836 3.632 5.702 -56.388 1.00 0.00 H new ATOM 0 HG21 ILE A1836 4.674 7.718 -59.392 1.00 0.00 H new ATOM 0 HG22 ILE A1836 5.797 8.757 -58.483 1.00 0.00 H new ATOM 0 HG23 ILE A1836 6.168 7.032 -58.711 1.00 0.00 H new ATOM 0 HD11 ILE A1836 2.390 4.934 -58.366 1.00 0.00 H new ATOM 0 HD12 ILE A1836 1.998 6.633 -58.010 1.00 0.00 H new ATOM 0 HD13 ILE A1836 3.110 6.236 -59.342 1.00 0.00 H new ATOM 1044 N ASN A1837 6.279 9.743 -55.448 1.00 0.00 N ATOM 1045 CA ASN A1837 7.206 10.872 -55.297 1.00 0.00 C ATOM 1046 C ASN A1837 8.322 10.667 -54.238 1.00 0.00 C ATOM 1047 O ASN A1837 9.241 11.485 -54.173 1.00 0.00 O ATOM 1048 CB ASN A1837 6.382 12.145 -55.026 1.00 0.00 C ATOM 1049 CG ASN A1837 5.870 12.774 -56.312 1.00 0.00 C ATOM 1050 OD1 ASN A1837 6.492 13.657 -56.890 1.00 0.00 O ATOM 1051 ND2 ASN A1837 4.726 12.362 -56.811 1.00 0.00 N ATOM 0 H ASN A1837 5.355 9.932 -55.059 1.00 0.00 H new ATOM 0 HA ASN A1837 7.759 10.964 -56.232 1.00 0.00 H new ATOM 0 HB2 ASN A1837 5.538 11.901 -54.381 1.00 0.00 H new ATOM 0 HB3 ASN A1837 6.996 12.867 -54.488 1.00 0.00 H new ATOM 0 HD21 ASN A1837 4.365 12.777 -57.670 1.00 0.00 H new ATOM 0 HD22 ASN A1837 4.199 11.627 -56.339 1.00 0.00 H new ATOM 1058 N MET A1838 8.283 9.611 -53.413 1.00 0.00 N ATOM 1059 CA MET A1838 9.365 9.252 -52.485 1.00 0.00 C ATOM 1060 C MET A1838 10.539 8.548 -53.196 1.00 0.00 C ATOM 1061 O MET A1838 10.447 8.098 -54.340 1.00 0.00 O ATOM 1062 CB MET A1838 8.831 8.343 -51.361 1.00 0.00 C ATOM 1063 CG MET A1838 7.724 9.000 -50.530 1.00 0.00 C ATOM 1064 SD MET A1838 7.123 7.968 -49.171 1.00 0.00 S ATOM 1065 CE MET A1838 5.835 9.069 -48.520 1.00 0.00 C ATOM 0 H MET A1838 7.488 8.973 -53.371 1.00 0.00 H new ATOM 0 HA MET A1838 9.739 10.185 -52.063 1.00 0.00 H new ATOM 0 HB2 MET A1838 8.449 7.421 -51.799 1.00 0.00 H new ATOM 0 HB3 MET A1838 9.655 8.067 -50.703 1.00 0.00 H new ATOM 0 HG2 MET A1838 8.097 9.940 -50.123 1.00 0.00 H new ATOM 0 HG3 MET A1838 6.888 9.246 -51.185 1.00 0.00 H new ATOM 0 HE1 MET A1838 5.189 8.512 -47.841 1.00 0.00 H new ATOM 0 HE2 MET A1838 6.300 9.895 -47.982 1.00 0.00 H new ATOM 0 HE3 MET A1838 5.241 9.462 -49.345 1.00 0.00 H new ATOM 1075 N ASP A1839 11.664 8.432 -52.487 1.00 0.00 N ATOM 1076 CA ASP A1839 12.919 7.799 -52.940 1.00 0.00 C ATOM 1077 C ASP A1839 12.984 6.281 -52.643 1.00 0.00 C ATOM 1078 O ASP A1839 14.051 5.664 -52.729 1.00 0.00 O ATOM 1079 CB ASP A1839 14.079 8.571 -52.282 1.00 0.00 C ATOM 1080 CG ASP A1839 15.455 8.254 -52.904 1.00 0.00 C ATOM 1081 OD1 ASP A1839 15.611 8.367 -54.146 1.00 0.00 O ATOM 1082 OD2 ASP A1839 16.409 7.943 -52.147 1.00 0.00 O ATOM 0 H ASP A1839 11.735 8.792 -51.535 1.00 0.00 H new ATOM 0 HA ASP A1839 12.984 7.859 -54.026 1.00 0.00 H new ATOM 0 HB2 ASP A1839 13.888 9.641 -52.366 1.00 0.00 H new ATOM 0 HB3 ASP A1839 14.106 8.335 -51.218 1.00 0.00 H new ATOM 1087 N LEU A1840 11.862 5.662 -52.246 1.00 0.00 N ATOM 1088 CA LEU A1840 11.795 4.284 -51.728 1.00 0.00 C ATOM 1089 C LEU A1840 12.353 3.218 -52.702 1.00 0.00 C ATOM 1090 O LEU A1840 12.100 3.301 -53.913 1.00 0.00 O ATOM 1091 CB LEU A1840 10.336 3.931 -51.365 1.00 0.00 C ATOM 1092 CG LEU A1840 9.740 4.713 -50.184 1.00 0.00 C ATOM 1093 CD1 LEU A1840 8.266 4.348 -50.003 1.00 0.00 C ATOM 1094 CD2 LEU A1840 10.474 4.431 -48.874 1.00 0.00 C ATOM 0 H LEU A1840 10.950 6.118 -52.277 1.00 0.00 H new ATOM 0 HA LEU A1840 12.433 4.263 -50.845 1.00 0.00 H new ATOM 0 HB2 LEU A1840 9.711 4.099 -52.242 1.00 0.00 H new ATOM 0 HB3 LEU A1840 10.284 2.867 -51.136 1.00 0.00 H new ATOM 0 HG LEU A1840 9.849 5.772 -50.419 1.00 0.00 H new ATOM 0 HD11 LEU A1840 7.853 4.907 -49.164 1.00 0.00 H new ATOM 0 HD12 LEU A1840 7.716 4.596 -50.910 1.00 0.00 H new ATOM 0 HD13 LEU A1840 8.177 3.280 -49.806 1.00 0.00 H new ATOM 0 HD21 LEU A1840 10.016 5.006 -48.069 1.00 0.00 H new ATOM 0 HD22 LEU A1840 10.409 3.368 -48.642 1.00 0.00 H new ATOM 0 HD23 LEU A1840 11.521 4.717 -48.975 1.00 0.00 H new ATOM 1106 N PRO A1841 13.065 2.187 -52.194 1.00 0.00 N ATOM 1107 CA PRO A1841 13.583 1.083 -53.003 1.00 0.00 C ATOM 1108 C PRO A1841 12.493 0.064 -53.383 1.00 0.00 C ATOM 1109 O PRO A1841 11.373 0.092 -52.873 1.00 0.00 O ATOM 1110 CB PRO A1841 14.662 0.441 -52.114 1.00 0.00 C ATOM 1111 CG PRO A1841 14.108 0.642 -50.702 1.00 0.00 C ATOM 1112 CD PRO A1841 13.454 2.018 -50.799 1.00 0.00 C ATOM 0 HA PRO A1841 13.973 1.434 -53.959 1.00 0.00 H new ATOM 0 HB2 PRO A1841 14.801 -0.615 -52.347 1.00 0.00 H new ATOM 0 HB3 PRO A1841 15.630 0.925 -52.241 1.00 0.00 H new ATOM 0 HG2 PRO A1841 13.389 -0.132 -50.434 1.00 0.00 H new ATOM 0 HG3 PRO A1841 14.896 0.619 -49.949 1.00 0.00 H new ATOM 0 HD2 PRO A1841 12.586 2.084 -50.142 1.00 0.00 H new ATOM 0 HD3 PRO A1841 14.147 2.801 -50.491 1.00 0.00 H new ATOM 1120 N MET A1842 12.858 -0.897 -54.239 1.00 0.00 N ATOM 1121 CA MET A1842 12.139 -2.156 -54.470 1.00 0.00 C ATOM 1122 C MET A1842 13.127 -3.324 -54.333 1.00 0.00 C ATOM 1123 O MET A1842 13.809 -3.701 -55.293 1.00 0.00 O ATOM 1124 CB MET A1842 11.393 -2.156 -55.814 1.00 0.00 C ATOM 1125 CG MET A1842 10.098 -1.344 -55.731 1.00 0.00 C ATOM 1126 SD MET A1842 9.143 -1.324 -57.268 1.00 0.00 S ATOM 1127 CE MET A1842 7.680 -0.414 -56.713 1.00 0.00 C ATOM 0 H MET A1842 13.697 -0.816 -54.814 1.00 0.00 H new ATOM 0 HA MET A1842 11.361 -2.273 -53.716 1.00 0.00 H new ATOM 0 HB2 MET A1842 12.036 -1.740 -56.590 1.00 0.00 H new ATOM 0 HB3 MET A1842 11.164 -3.181 -56.105 1.00 0.00 H new ATOM 0 HG2 MET A1842 9.476 -1.751 -54.934 1.00 0.00 H new ATOM 0 HG3 MET A1842 10.341 -0.319 -55.453 1.00 0.00 H new ATOM 0 HE1 MET A1842 7.029 -0.217 -57.565 1.00 0.00 H new ATOM 0 HE2 MET A1842 7.141 -1.007 -55.974 1.00 0.00 H new ATOM 0 HE3 MET A1842 7.988 0.531 -56.265 1.00 0.00 H new ATOM 1137 N VAL A1843 13.264 -3.858 -53.114 1.00 0.00 N ATOM 1138 CA VAL A1843 14.373 -4.744 -52.696 1.00 0.00 C ATOM 1139 C VAL A1843 14.422 -6.100 -53.420 1.00 0.00 C ATOM 1140 O VAL A1843 15.484 -6.712 -53.518 1.00 0.00 O ATOM 1141 CB VAL A1843 14.375 -4.972 -51.166 1.00 0.00 C ATOM 1142 CG1 VAL A1843 14.375 -3.642 -50.397 1.00 0.00 C ATOM 1143 CG2 VAL A1843 13.196 -5.819 -50.663 1.00 0.00 C ATOM 0 H VAL A1843 12.592 -3.685 -52.366 1.00 0.00 H new ATOM 0 HA VAL A1843 15.272 -4.204 -52.992 1.00 0.00 H new ATOM 0 HB VAL A1843 15.295 -5.524 -50.973 1.00 0.00 H new ATOM 0 HG11 VAL A1843 14.376 -3.841 -49.325 1.00 0.00 H new ATOM 0 HG12 VAL A1843 15.264 -3.069 -50.661 1.00 0.00 H new ATOM 0 HG13 VAL A1843 13.484 -3.070 -50.659 1.00 0.00 H new ATOM 0 HG21 VAL A1843 13.267 -5.935 -49.581 1.00 0.00 H new ATOM 0 HG22 VAL A1843 12.258 -5.323 -50.914 1.00 0.00 H new ATOM 0 HG23 VAL A1843 13.225 -6.801 -51.136 1.00 0.00 H new ATOM 1153 N SER A1844 13.272 -6.550 -53.939 1.00 0.00 N ATOM 1154 CA SER A1844 13.078 -7.791 -54.710 1.00 0.00 C ATOM 1155 C SER A1844 12.155 -7.624 -55.933 1.00 0.00 C ATOM 1156 O SER A1844 11.780 -8.608 -56.576 1.00 0.00 O ATOM 1157 CB SER A1844 12.595 -8.918 -53.780 1.00 0.00 C ATOM 1158 OG SER A1844 11.426 -8.536 -53.066 1.00 0.00 O ATOM 0 H SER A1844 12.401 -6.030 -53.827 1.00 0.00 H new ATOM 0 HA SER A1844 14.049 -8.062 -55.125 1.00 0.00 H new ATOM 0 HB2 SER A1844 12.388 -9.813 -54.367 1.00 0.00 H new ATOM 0 HB3 SER A1844 13.386 -9.175 -53.075 1.00 0.00 H new ATOM 0 HG SER A1844 11.646 -8.415 -52.119 1.00 0.00 H new ATOM 1164 N GLY A1845 11.791 -6.381 -56.273 1.00 0.00 N ATOM 1165 CA GLY A1845 10.960 -5.998 -57.423 1.00 0.00 C ATOM 1166 C GLY A1845 9.536 -5.552 -57.074 1.00 0.00 C ATOM 1167 O GLY A1845 8.887 -4.896 -57.893 1.00 0.00 O ATOM 0 H GLY A1845 12.083 -5.572 -55.725 1.00 0.00 H new ATOM 0 HA2 GLY A1845 11.457 -5.189 -57.958 1.00 0.00 H new ATOM 0 HA3 GLY A1845 10.902 -6.844 -58.108 1.00 0.00 H new ATOM 1171 N ASP A1846 9.049 -5.869 -55.861 1.00 0.00 N ATOM 1172 CA ASP A1846 7.683 -5.548 -55.400 1.00 0.00 C ATOM 1173 C ASP A1846 7.582 -5.102 -53.923 1.00 0.00 C ATOM 1174 O ASP A1846 6.511 -4.674 -53.487 1.00 0.00 O ATOM 1175 CB ASP A1846 6.769 -6.765 -55.634 1.00 0.00 C ATOM 1176 CG ASP A1846 6.493 -7.036 -57.122 1.00 0.00 C ATOM 1177 OD1 ASP A1846 5.624 -6.358 -57.724 1.00 0.00 O ATOM 1178 OD2 ASP A1846 7.114 -7.967 -57.696 1.00 0.00 O ATOM 0 H ASP A1846 9.601 -6.364 -55.161 1.00 0.00 H new ATOM 0 HA ASP A1846 7.365 -4.687 -55.988 1.00 0.00 H new ATOM 0 HB2 ASP A1846 7.229 -7.648 -55.189 1.00 0.00 H new ATOM 0 HB3 ASP A1846 5.822 -6.605 -55.118 1.00 0.00 H new ATOM 1183 N ARG A1847 8.669 -5.193 -53.136 1.00 0.00 N ATOM 1184 CA ARG A1847 8.687 -4.969 -51.677 1.00 0.00 C ATOM 1185 C ARG A1847 9.648 -3.870 -51.236 1.00 0.00 C ATOM 1186 O ARG A1847 10.642 -3.600 -51.907 1.00 0.00 O ATOM 1187 CB ARG A1847 9.013 -6.288 -50.951 1.00 0.00 C ATOM 1188 CG ARG A1847 7.911 -7.345 -51.074 1.00 0.00 C ATOM 1189 CD ARG A1847 8.272 -8.632 -50.331 1.00 0.00 C ATOM 1190 NE ARG A1847 9.414 -9.317 -50.955 1.00 0.00 N ATOM 1191 CZ ARG A1847 10.034 -10.397 -50.534 1.00 0.00 C ATOM 1192 NH1 ARG A1847 9.677 -11.041 -49.458 1.00 0.00 N ATOM 1193 NH2 ARG A1847 11.053 -10.848 -51.206 1.00 0.00 N ATOM 0 H ARG A1847 9.588 -5.432 -53.508 1.00 0.00 H new ATOM 0 HA ARG A1847 7.690 -4.624 -51.403 1.00 0.00 H new ATOM 0 HB2 ARG A1847 9.941 -6.694 -51.353 1.00 0.00 H new ATOM 0 HB3 ARG A1847 9.188 -6.078 -49.896 1.00 0.00 H new ATOM 0 HG2 ARG A1847 6.978 -6.945 -50.676 1.00 0.00 H new ATOM 0 HG3 ARG A1847 7.739 -7.569 -52.127 1.00 0.00 H new ATOM 0 HD2 ARG A1847 8.510 -8.399 -49.293 1.00 0.00 H new ATOM 0 HD3 ARG A1847 7.410 -9.299 -50.318 1.00 0.00 H new ATOM 0 HE ARG A1847 9.768 -8.904 -51.818 1.00 0.00 H new ATOM 0 HH11 ARG A1847 8.886 -10.711 -48.905 1.00 0.00 H new ATOM 0 HH12 ARG A1847 10.188 -11.875 -49.170 1.00 0.00 H new ATOM 0 HH21 ARG A1847 11.362 -10.364 -52.049 1.00 0.00 H new ATOM 0 HH22 ARG A1847 11.542 -11.685 -50.890 1.00 0.00 H new ATOM 1207 N ILE A1848 9.376 -3.278 -50.076 1.00 0.00 N ATOM 1208 CA ILE A1848 10.089 -2.132 -49.490 1.00 0.00 C ATOM 1209 C ILE A1848 10.443 -2.422 -48.022 1.00 0.00 C ATOM 1210 O ILE A1848 9.622 -2.941 -47.265 1.00 0.00 O ATOM 1211 CB ILE A1848 9.249 -0.834 -49.592 1.00 0.00 C ATOM 1212 CG1 ILE A1848 8.458 -0.627 -50.906 1.00 0.00 C ATOM 1213 CG2 ILE A1848 10.163 0.383 -49.394 1.00 0.00 C ATOM 1214 CD1 ILE A1848 7.077 -1.298 -50.888 1.00 0.00 C ATOM 0 H ILE A1848 8.611 -3.598 -49.482 1.00 0.00 H new ATOM 0 HA ILE A1848 11.008 -1.982 -50.056 1.00 0.00 H new ATOM 0 HB ILE A1848 8.499 -0.941 -48.809 1.00 0.00 H new ATOM 0 HG12 ILE A1848 8.334 0.441 -51.085 1.00 0.00 H new ATOM 0 HG13 ILE A1848 9.038 -1.024 -51.739 1.00 0.00 H new ATOM 0 HG21 ILE A1848 9.573 1.297 -49.466 1.00 0.00 H new ATOM 0 HG22 ILE A1848 10.632 0.330 -48.411 1.00 0.00 H new ATOM 0 HG23 ILE A1848 10.934 0.388 -50.164 1.00 0.00 H new ATOM 0 HD11 ILE A1848 6.572 -1.117 -51.837 1.00 0.00 H new ATOM 0 HD12 ILE A1848 7.196 -2.371 -50.739 1.00 0.00 H new ATOM 0 HD13 ILE A1848 6.481 -0.883 -50.075 1.00 0.00 H new ATOM 1226 N HIS A1849 11.673 -2.088 -47.622 1.00 0.00 N ATOM 1227 CA HIS A1849 12.204 -2.268 -46.265 1.00 0.00 C ATOM 1228 C HIS A1849 11.596 -1.301 -45.227 1.00 0.00 C ATOM 1229 O HIS A1849 11.476 -0.100 -45.472 1.00 0.00 O ATOM 1230 CB HIS A1849 13.727 -2.101 -46.329 1.00 0.00 C ATOM 1231 CG HIS A1849 14.423 -2.238 -44.994 1.00 0.00 C ATOM 1232 ND1 HIS A1849 15.292 -1.315 -44.460 1.00 0.00 N ATOM 1233 CD2 HIS A1849 14.343 -3.291 -44.122 1.00 0.00 C ATOM 1234 CE1 HIS A1849 15.734 -1.795 -43.283 1.00 0.00 C ATOM 1235 NE2 HIS A1849 15.166 -2.989 -43.027 1.00 0.00 N ATOM 0 H HIS A1849 12.353 -1.669 -48.257 1.00 0.00 H new ATOM 0 HA HIS A1849 11.928 -3.266 -45.924 1.00 0.00 H new ATOM 0 HB2 HIS A1849 14.134 -2.843 -47.016 1.00 0.00 H new ATOM 0 HB3 HIS A1849 13.956 -1.121 -46.747 1.00 0.00 H new ATOM 0 HD1 HIS A1849 15.555 -0.424 -44.882 1.00 0.00 H new ATOM 0 HD2 HIS A1849 13.755 -4.188 -44.253 1.00 0.00 H new ATOM 0 HE1 HIS A1849 16.441 -1.295 -42.638 1.00 0.00 H new ATOM 1243 N CYS A1850 11.287 -1.820 -44.034 1.00 0.00 N ATOM 1244 CA CYS A1850 10.709 -1.144 -42.864 1.00 0.00 C ATOM 1245 C CYS A1850 11.338 0.229 -42.558 1.00 0.00 C ATOM 1246 O CYS A1850 10.653 1.253 -42.552 1.00 0.00 O ATOM 1247 CB CYS A1850 10.835 -2.106 -41.671 1.00 0.00 C ATOM 1248 SG CYS A1850 10.144 -1.391 -40.151 1.00 0.00 S ATOM 0 H CYS A1850 11.448 -2.809 -43.844 1.00 0.00 H new ATOM 0 HA CYS A1850 9.665 -0.914 -43.075 1.00 0.00 H new ATOM 0 HB2 CYS A1850 10.320 -3.039 -41.900 1.00 0.00 H new ATOM 0 HB3 CYS A1850 11.885 -2.352 -41.512 1.00 0.00 H new ATOM 0 HG CYS A1850 8.866 -1.625 -40.103 1.00 0.00 H new ATOM 1254 N MET A1851 12.657 0.260 -42.309 1.00 0.00 N ATOM 1255 CA MET A1851 13.359 1.483 -41.921 1.00 0.00 C ATOM 1256 C MET A1851 13.367 2.540 -43.033 1.00 0.00 C ATOM 1257 O MET A1851 13.196 3.723 -42.751 1.00 0.00 O ATOM 1258 CB MET A1851 14.784 1.132 -41.451 1.00 0.00 C ATOM 1259 CG MET A1851 15.455 2.283 -40.694 1.00 0.00 C ATOM 1260 SD MET A1851 16.239 3.565 -41.716 1.00 0.00 S ATOM 1261 CE MET A1851 15.973 5.004 -40.649 1.00 0.00 C ATOM 0 H MET A1851 13.260 -0.560 -42.372 1.00 0.00 H new ATOM 0 HA MET A1851 12.815 1.937 -41.093 1.00 0.00 H new ATOM 0 HB2 MET A1851 14.744 0.253 -40.807 1.00 0.00 H new ATOM 0 HB3 MET A1851 15.393 0.867 -42.315 1.00 0.00 H new ATOM 0 HG2 MET A1851 14.706 2.760 -40.061 1.00 0.00 H new ATOM 0 HG3 MET A1851 16.212 1.863 -40.031 1.00 0.00 H new ATOM 0 HE1 MET A1851 16.394 5.891 -41.122 1.00 0.00 H new ATOM 0 HE2 MET A1851 14.904 5.149 -40.494 1.00 0.00 H new ATOM 0 HE3 MET A1851 16.460 4.839 -39.688 1.00 0.00 H new ATOM 1271 N ASP A1852 13.503 2.146 -44.302 1.00 0.00 N ATOM 1272 CA ASP A1852 13.484 3.069 -45.445 1.00 0.00 C ATOM 1273 C ASP A1852 12.119 3.769 -45.607 1.00 0.00 C ATOM 1274 O ASP A1852 12.072 4.964 -45.917 1.00 0.00 O ATOM 1275 CB ASP A1852 13.896 2.337 -46.734 1.00 0.00 C ATOM 1276 CG ASP A1852 15.390 1.960 -46.715 1.00 0.00 C ATOM 1277 OD1 ASP A1852 15.755 0.942 -46.081 1.00 0.00 O ATOM 1278 OD2 ASP A1852 16.201 2.684 -47.335 1.00 0.00 O ATOM 0 H ASP A1852 13.631 1.170 -44.569 1.00 0.00 H new ATOM 0 HA ASP A1852 14.213 3.854 -45.246 1.00 0.00 H new ATOM 0 HB2 ASP A1852 13.294 1.436 -46.851 1.00 0.00 H new ATOM 0 HB3 ASP A1852 13.691 2.972 -47.596 1.00 0.00 H new ATOM 1283 N ILE A1853 11.015 3.060 -45.335 1.00 0.00 N ATOM 1284 CA ILE A1853 9.660 3.630 -45.269 1.00 0.00 C ATOM 1285 C ILE A1853 9.564 4.674 -44.145 1.00 0.00 C ATOM 1286 O ILE A1853 9.178 5.813 -44.406 1.00 0.00 O ATOM 1287 CB ILE A1853 8.599 2.522 -45.117 1.00 0.00 C ATOM 1288 CG1 ILE A1853 8.656 1.503 -46.279 1.00 0.00 C ATOM 1289 CG2 ILE A1853 7.196 3.140 -45.073 1.00 0.00 C ATOM 1290 CD1 ILE A1853 7.984 0.175 -45.917 1.00 0.00 C ATOM 0 H ILE A1853 11.038 2.057 -45.151 1.00 0.00 H new ATOM 0 HA ILE A1853 9.456 4.142 -46.210 1.00 0.00 H new ATOM 0 HB ILE A1853 8.814 1.997 -44.186 1.00 0.00 H new ATOM 0 HG12 ILE A1853 8.169 1.928 -47.157 1.00 0.00 H new ATOM 0 HG13 ILE A1853 9.696 1.320 -46.549 1.00 0.00 H new ATOM 0 HG21 ILE A1853 6.453 2.349 -44.966 1.00 0.00 H new ATOM 0 HG22 ILE A1853 7.125 3.822 -44.226 1.00 0.00 H new ATOM 0 HG23 ILE A1853 7.011 3.688 -45.997 1.00 0.00 H new ATOM 0 HD11 ILE A1853 8.049 -0.508 -46.764 1.00 0.00 H new ATOM 0 HD12 ILE A1853 8.488 -0.265 -45.056 1.00 0.00 H new ATOM 0 HD13 ILE A1853 6.936 0.352 -45.673 1.00 0.00 H new ATOM 1302 N LEU A1854 9.961 4.320 -42.913 1.00 0.00 N ATOM 1303 CA LEU A1854 10.040 5.245 -41.771 1.00 0.00 C ATOM 1304 C LEU A1854 10.859 6.507 -42.105 1.00 0.00 C ATOM 1305 O LEU A1854 10.405 7.622 -41.845 1.00 0.00 O ATOM 1306 CB LEU A1854 10.602 4.506 -40.542 1.00 0.00 C ATOM 1307 CG LEU A1854 10.815 5.392 -39.294 1.00 0.00 C ATOM 1308 CD1 LEU A1854 9.515 5.975 -38.741 1.00 0.00 C ATOM 1309 CD2 LEU A1854 11.479 4.576 -38.189 1.00 0.00 C ATOM 0 H LEU A1854 10.241 3.368 -42.678 1.00 0.00 H new ATOM 0 HA LEU A1854 9.033 5.591 -41.538 1.00 0.00 H new ATOM 0 HB2 LEU A1854 9.923 3.694 -40.282 1.00 0.00 H new ATOM 0 HB3 LEU A1854 11.554 4.051 -40.814 1.00 0.00 H new ATOM 0 HG LEU A1854 11.447 6.222 -39.612 1.00 0.00 H new ATOM 0 HD11 LEU A1854 9.734 6.587 -37.866 1.00 0.00 H new ATOM 0 HD12 LEU A1854 9.039 6.591 -39.504 1.00 0.00 H new ATOM 0 HD13 LEU A1854 8.844 5.164 -38.458 1.00 0.00 H new ATOM 0 HD21 LEU A1854 11.627 5.205 -37.311 1.00 0.00 H new ATOM 0 HD22 LEU A1854 10.841 3.732 -37.927 1.00 0.00 H new ATOM 0 HD23 LEU A1854 12.444 4.208 -38.538 1.00 0.00 H new ATOM 1321 N PHE A1855 12.049 6.334 -42.683 1.00 0.00 N ATOM 1322 CA PHE A1855 12.958 7.411 -43.092 1.00 0.00 C ATOM 1323 C PHE A1855 12.292 8.361 -44.098 1.00 0.00 C ATOM 1324 O PHE A1855 12.261 9.571 -43.874 1.00 0.00 O ATOM 1325 CB PHE A1855 14.244 6.765 -43.639 1.00 0.00 C ATOM 1326 CG PHE A1855 15.456 7.658 -43.842 1.00 0.00 C ATOM 1327 CD1 PHE A1855 15.850 8.576 -42.845 1.00 0.00 C ATOM 1328 CD2 PHE A1855 16.266 7.471 -44.977 1.00 0.00 C ATOM 1329 CE1 PHE A1855 17.049 9.299 -42.987 1.00 0.00 C ATOM 1330 CE2 PHE A1855 17.473 8.183 -45.109 1.00 0.00 C ATOM 1331 CZ PHE A1855 17.871 9.092 -44.109 1.00 0.00 C ATOM 0 H PHE A1855 12.422 5.407 -42.887 1.00 0.00 H new ATOM 0 HA PHE A1855 13.213 8.036 -42.236 1.00 0.00 H new ATOM 0 HB2 PHE A1855 14.530 5.962 -42.960 1.00 0.00 H new ATOM 0 HB3 PHE A1855 14.005 6.303 -44.597 1.00 0.00 H new ATOM 0 HD1 PHE A1855 15.231 8.724 -41.972 1.00 0.00 H new ATOM 0 HD2 PHE A1855 15.961 6.780 -45.749 1.00 0.00 H new ATOM 0 HE1 PHE A1855 17.339 10.015 -42.232 1.00 0.00 H new ATOM 0 HE2 PHE A1855 18.095 8.032 -45.979 1.00 0.00 H new ATOM 0 HZ PHE A1855 18.804 9.628 -44.204 1.00 0.00 H new ATOM 1341 N ALA A1856 11.693 7.833 -45.172 1.00 0.00 N ATOM 1342 CA ALA A1856 10.979 8.634 -46.170 1.00 0.00 C ATOM 1343 C ALA A1856 9.800 9.438 -45.575 1.00 0.00 C ATOM 1344 O ALA A1856 9.614 10.599 -45.935 1.00 0.00 O ATOM 1345 CB ALA A1856 10.498 7.705 -47.287 1.00 0.00 C ATOM 0 H ALA A1856 11.691 6.833 -45.373 1.00 0.00 H new ATOM 0 HA ALA A1856 11.671 9.378 -46.564 1.00 0.00 H new ATOM 0 HB1 ALA A1856 9.964 8.286 -48.039 1.00 0.00 H new ATOM 0 HB2 ALA A1856 11.356 7.216 -47.748 1.00 0.00 H new ATOM 0 HB3 ALA A1856 9.831 6.950 -46.871 1.00 0.00 H new ATOM 1351 N PHE A1857 9.024 8.845 -44.656 1.00 0.00 N ATOM 1352 CA PHE A1857 7.913 9.520 -43.975 1.00 0.00 C ATOM 1353 C PHE A1857 8.429 10.643 -43.054 1.00 0.00 C ATOM 1354 O PHE A1857 7.990 11.789 -43.164 1.00 0.00 O ATOM 1355 CB PHE A1857 7.041 8.514 -43.196 1.00 0.00 C ATOM 1356 CG PHE A1857 6.306 7.423 -43.981 1.00 0.00 C ATOM 1357 CD1 PHE A1857 6.400 7.289 -45.387 1.00 0.00 C ATOM 1358 CD2 PHE A1857 5.474 6.535 -43.274 1.00 0.00 C ATOM 1359 CE1 PHE A1857 5.674 6.292 -46.063 1.00 0.00 C ATOM 1360 CE2 PHE A1857 4.748 5.536 -43.950 1.00 0.00 C ATOM 1361 CZ PHE A1857 4.836 5.422 -45.347 1.00 0.00 C ATOM 0 H PHE A1857 9.152 7.876 -44.363 1.00 0.00 H new ATOM 0 HA PHE A1857 7.284 9.978 -44.738 1.00 0.00 H new ATOM 0 HB2 PHE A1857 7.679 8.022 -42.462 1.00 0.00 H new ATOM 0 HB3 PHE A1857 6.295 9.082 -42.640 1.00 0.00 H new ATOM 0 HD1 PHE A1857 7.036 7.959 -45.946 1.00 0.00 H new ATOM 0 HD2 PHE A1857 5.392 6.621 -42.201 1.00 0.00 H new ATOM 0 HE1 PHE A1857 5.761 6.195 -47.135 1.00 0.00 H new ATOM 0 HE2 PHE A1857 4.122 4.855 -43.393 1.00 0.00 H new ATOM 0 HZ PHE A1857 4.262 4.669 -45.868 1.00 0.00 H new ATOM 1371 N THR A1858 9.368 10.329 -42.155 1.00 0.00 N ATOM 1372 CA THR A1858 9.900 11.282 -41.158 1.00 0.00 C ATOM 1373 C THR A1858 10.697 12.435 -41.777 1.00 0.00 C ATOM 1374 O THR A1858 10.624 13.548 -41.249 1.00 0.00 O ATOM 1375 CB THR A1858 10.738 10.604 -40.060 1.00 0.00 C ATOM 1376 OG1 THR A1858 11.767 9.802 -40.599 1.00 0.00 O ATOM 1377 CG2 THR A1858 9.860 9.729 -39.167 1.00 0.00 C ATOM 0 H THR A1858 9.787 9.401 -42.093 1.00 0.00 H new ATOM 0 HA THR A1858 9.007 11.704 -40.696 1.00 0.00 H new ATOM 0 HB THR A1858 11.186 11.407 -39.474 1.00 0.00 H new ATOM 0 HG1 THR A1858 11.378 9.000 -41.005 1.00 0.00 H new ATOM 0 HG21 THR A1858 10.475 9.261 -38.399 1.00 0.00 H new ATOM 0 HG22 THR A1858 9.095 10.344 -38.694 1.00 0.00 H new ATOM 0 HG23 THR A1858 9.383 8.957 -39.770 1.00 0.00 H new ATOM 1385 N LYS A1859 11.380 12.251 -42.919 1.00 0.00 N ATOM 1386 CA LYS A1859 12.044 13.332 -43.678 1.00 0.00 C ATOM 1387 C LYS A1859 11.115 14.513 -43.970 1.00 0.00 C ATOM 1388 O LYS A1859 11.492 15.660 -43.725 1.00 0.00 O ATOM 1389 CB LYS A1859 12.605 12.787 -45.007 1.00 0.00 C ATOM 1390 CG LYS A1859 13.997 12.161 -44.861 1.00 0.00 C ATOM 1391 CD LYS A1859 14.400 11.500 -46.186 1.00 0.00 C ATOM 1392 CE LYS A1859 15.789 10.852 -46.120 1.00 0.00 C ATOM 1393 NZ LYS A1859 16.887 11.848 -46.052 1.00 0.00 N ATOM 0 H LYS A1859 11.490 11.333 -43.350 1.00 0.00 H new ATOM 0 HA LYS A1859 12.854 13.698 -43.047 1.00 0.00 H new ATOM 0 HB2 LYS A1859 11.918 12.041 -45.406 1.00 0.00 H new ATOM 0 HB3 LYS A1859 12.652 13.598 -45.734 1.00 0.00 H new ATOM 0 HG2 LYS A1859 14.725 12.925 -44.587 1.00 0.00 H new ATOM 0 HG3 LYS A1859 13.993 11.422 -44.060 1.00 0.00 H new ATOM 0 HD2 LYS A1859 13.662 10.743 -46.450 1.00 0.00 H new ATOM 0 HD3 LYS A1859 14.388 12.247 -46.980 1.00 0.00 H new ATOM 0 HE2 LYS A1859 15.840 10.202 -45.247 1.00 0.00 H new ATOM 0 HE3 LYS A1859 15.932 10.220 -46.997 1.00 0.00 H new ATOM 0 HZ1 LYS A1859 17.801 11.354 -46.009 1.00 0.00 H new ATOM 0 HZ2 LYS A1859 16.859 12.453 -46.897 1.00 0.00 H new ATOM 0 HZ3 LYS A1859 16.771 12.435 -45.202 1.00 0.00 H new ATOM 1407 N ARG A1860 9.894 14.245 -44.456 1.00 0.00 N ATOM 1408 CA ARG A1860 8.865 15.261 -44.765 1.00 0.00 C ATOM 1409 C ARG A1860 8.385 16.016 -43.518 1.00 0.00 C ATOM 1410 O ARG A1860 8.123 17.214 -43.604 1.00 0.00 O ATOM 1411 CB ARG A1860 7.673 14.611 -45.500 1.00 0.00 C ATOM 1412 CG ARG A1860 8.069 14.112 -46.904 1.00 0.00 C ATOM 1413 CD ARG A1860 6.851 13.551 -47.648 1.00 0.00 C ATOM 1414 NE ARG A1860 7.188 13.158 -49.035 1.00 0.00 N ATOM 1415 CZ ARG A1860 6.409 12.517 -49.890 1.00 0.00 C ATOM 1416 NH1 ARG A1860 5.195 12.150 -49.604 1.00 0.00 N ATOM 1417 NH2 ARG A1860 6.826 12.205 -51.083 1.00 0.00 N ATOM 0 H ARG A1860 9.583 13.294 -44.651 1.00 0.00 H new ATOM 0 HA ARG A1860 9.331 15.999 -45.418 1.00 0.00 H new ATOM 0 HB2 ARG A1860 7.294 13.776 -44.911 1.00 0.00 H new ATOM 0 HB3 ARG A1860 6.862 15.334 -45.587 1.00 0.00 H new ATOM 0 HG2 ARG A1860 8.504 14.931 -47.476 1.00 0.00 H new ATOM 0 HG3 ARG A1860 8.835 13.341 -46.818 1.00 0.00 H new ATOM 0 HD2 ARG A1860 6.462 12.687 -47.109 1.00 0.00 H new ATOM 0 HD3 ARG A1860 6.059 14.299 -47.664 1.00 0.00 H new ATOM 0 HE ARG A1860 8.120 13.408 -49.366 1.00 0.00 H new ATOM 0 HH11 ARG A1860 4.804 12.355 -48.685 1.00 0.00 H new ATOM 0 HH12 ARG A1860 4.634 11.657 -50.299 1.00 0.00 H new ATOM 0 HH21 ARG A1860 7.771 12.455 -51.375 1.00 0.00 H new ATOM 0 HH22 ARG A1860 6.208 11.710 -51.726 1.00 0.00 H new ATOM 1431 N VAL A1861 8.318 15.350 -42.357 1.00 0.00 N ATOM 1432 CA VAL A1861 7.999 15.962 -41.050 1.00 0.00 C ATOM 1433 C VAL A1861 9.156 16.853 -40.558 1.00 0.00 C ATOM 1434 O VAL A1861 8.939 18.002 -40.166 1.00 0.00 O ATOM 1435 CB VAL A1861 7.660 14.898 -39.981 1.00 0.00 C ATOM 1436 CG1 VAL A1861 7.142 15.582 -38.707 1.00 0.00 C ATOM 1437 CG2 VAL A1861 6.579 13.917 -40.465 1.00 0.00 C ATOM 0 H VAL A1861 8.487 14.346 -42.294 1.00 0.00 H new ATOM 0 HA VAL A1861 7.115 16.582 -41.200 1.00 0.00 H new ATOM 0 HB VAL A1861 8.578 14.344 -39.783 1.00 0.00 H new ATOM 0 HG11 VAL A1861 6.905 14.826 -37.959 1.00 0.00 H new ATOM 0 HG12 VAL A1861 7.908 16.252 -38.316 1.00 0.00 H new ATOM 0 HG13 VAL A1861 6.244 16.155 -38.941 1.00 0.00 H new ATOM 0 HG21 VAL A1861 6.373 13.187 -39.682 1.00 0.00 H new ATOM 0 HG22 VAL A1861 5.667 14.467 -40.698 1.00 0.00 H new ATOM 0 HG23 VAL A1861 6.930 13.401 -41.359 1.00 0.00 H new