USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 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 K(o=0.77,f=-0.15) USER MOD Set 1.2: A1850 CYS SG : rot -161:sc= -0.234 USER MOD Single : A1787 SER OG : rot 180:sc= 0.037 USER MOD Single : A1793 MET CE :methyl -125:sc= -0.0739 (180deg=-0.189) USER MOD Single : A1795 TYR OH : rot 180:sc= 0 USER MOD Single : A1800 LYS NZ :NH3+ -169:sc= 0.969 (180deg=0.899) USER MOD Single : A1806 THR OG1 : rot -37:sc= 0.169 USER MOD Single : A1811 TYR OH : rot 30:sc= 0 USER MOD Single : A1812 SER OG : rot 180:sc= 0 USER MOD Single : A1815 SER OG : rot 180:sc= 0 USER MOD Single : A1822 SER OG : rot 180:sc= 0 USER MOD Single : A1829 LYS NZ :NH3+ 169:sc= 2.24 (180deg=2.22) USER MOD Single : A1831 ASN : amide:sc= 1.65 K(o=1.7,f=-3.4!) 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= 0.998 K(o=1,f=0) USER MOD Single : A1838 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1842 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1844 SER OG : rot 180:sc= 0 USER MOD Single : A1849 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.3!) USER MOD Single : A1851 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1858 THR OG1 : rot -70:sc= 1.05 USER MOD Single : A1859 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 226 N LEU A1786 9.197 15.195 -33.899 1.00 0.00 N ATOM 227 CA LEU A1786 8.697 13.859 -33.546 1.00 0.00 C ATOM 228 C LEU A1786 9.213 13.429 -32.160 1.00 0.00 C ATOM 229 O LEU A1786 10.207 13.964 -31.662 1.00 0.00 O ATOM 230 CB LEU A1786 9.138 12.861 -34.638 1.00 0.00 C ATOM 231 CG LEU A1786 8.523 13.097 -36.033 1.00 0.00 C ATOM 232 CD1 LEU A1786 9.296 12.286 -37.075 1.00 0.00 C ATOM 233 CD2 LEU A1786 7.059 12.678 -36.089 1.00 0.00 C ATOM 0 HA LEU A1786 7.609 13.878 -33.492 1.00 0.00 H new ATOM 0 HB2 LEU A1786 10.224 12.900 -34.726 1.00 0.00 H new ATOM 0 HB3 LEU A1786 8.881 11.853 -34.311 1.00 0.00 H new ATOM 0 HG LEU A1786 8.586 14.165 -36.241 1.00 0.00 H new ATOM 0 HD11 LEU A1786 8.862 12.452 -38.061 1.00 0.00 H new ATOM 0 HD12 LEU A1786 10.340 12.601 -37.080 1.00 0.00 H new ATOM 0 HD13 LEU A1786 9.238 11.226 -36.827 1.00 0.00 H new ATOM 0 HD21 LEU A1786 6.666 12.861 -37.089 1.00 0.00 H new ATOM 0 HD22 LEU A1786 6.975 11.617 -35.855 1.00 0.00 H new ATOM 0 HD23 LEU A1786 6.487 13.256 -35.363 1.00 0.00 H new ATOM 245 N SER A1787 8.558 12.446 -31.547 1.00 0.00 N ATOM 246 CA SER A1787 8.910 11.871 -30.238 1.00 0.00 C ATOM 247 C SER A1787 8.791 10.336 -30.233 1.00 0.00 C ATOM 248 O SER A1787 8.394 9.725 -31.225 1.00 0.00 O ATOM 249 CB SER A1787 8.025 12.513 -29.160 1.00 0.00 C ATOM 250 OG SER A1787 8.535 12.257 -27.854 1.00 0.00 O ATOM 0 H SER A1787 7.735 12.007 -31.959 1.00 0.00 H new ATOM 0 HA SER A1787 9.956 12.092 -30.023 1.00 0.00 H new ATOM 0 HB2 SER A1787 7.968 13.589 -29.326 1.00 0.00 H new ATOM 0 HB3 SER A1787 7.010 12.123 -29.240 1.00 0.00 H new ATOM 0 HG SER A1787 7.953 12.679 -27.187 1.00 0.00 H new ATOM 256 N GLU A1788 9.143 9.697 -29.114 1.00 0.00 N ATOM 257 CA GLU A1788 9.173 8.237 -28.928 1.00 0.00 C ATOM 258 C GLU A1788 7.839 7.553 -29.292 1.00 0.00 C ATOM 259 O GLU A1788 7.836 6.484 -29.903 1.00 0.00 O ATOM 260 CB GLU A1788 9.592 7.923 -27.479 1.00 0.00 C ATOM 261 CG GLU A1788 9.849 6.432 -27.234 1.00 0.00 C ATOM 262 CD GLU A1788 10.392 6.185 -25.812 1.00 0.00 C ATOM 263 OE1 GLU A1788 9.586 6.033 -24.861 1.00 0.00 O ATOM 264 OE2 GLU A1788 11.631 6.114 -25.630 1.00 0.00 O ATOM 0 H GLU A1788 9.428 10.202 -28.275 1.00 0.00 H new ATOM 0 HA GLU A1788 9.907 7.824 -29.620 1.00 0.00 H new ATOM 0 HB2 GLU A1788 10.495 8.485 -27.239 1.00 0.00 H new ATOM 0 HB3 GLU A1788 8.812 8.267 -26.800 1.00 0.00 H new ATOM 0 HG2 GLU A1788 8.924 5.873 -27.375 1.00 0.00 H new ATOM 0 HG3 GLU A1788 10.562 6.058 -27.968 1.00 0.00 H new ATOM 271 N ASP A1789 6.711 8.200 -28.977 1.00 0.00 N ATOM 272 CA ASP A1789 5.364 7.708 -29.291 1.00 0.00 C ATOM 273 C ASP A1789 5.101 7.573 -30.807 1.00 0.00 C ATOM 274 O ASP A1789 4.360 6.680 -31.221 1.00 0.00 O ATOM 275 CB ASP A1789 4.321 8.652 -28.679 1.00 0.00 C ATOM 276 CG ASP A1789 4.339 8.626 -27.141 1.00 0.00 C ATOM 277 OD1 ASP A1789 3.775 7.676 -26.547 1.00 0.00 O ATOM 278 OD2 ASP A1789 4.914 9.554 -26.521 1.00 0.00 O ATOM 0 H ASP A1789 6.708 9.095 -28.488 1.00 0.00 H new ATOM 0 HA ASP A1789 5.286 6.708 -28.864 1.00 0.00 H new ATOM 0 HB2 ASP A1789 4.508 9.669 -29.025 1.00 0.00 H new ATOM 0 HB3 ASP A1789 3.329 8.372 -29.033 1.00 0.00 H new ATOM 283 N ASP A1790 5.709 8.415 -31.650 1.00 0.00 N ATOM 284 CA ASP A1790 5.555 8.359 -33.117 1.00 0.00 C ATOM 285 C ASP A1790 6.283 7.143 -33.716 1.00 0.00 C ATOM 286 O ASP A1790 5.739 6.435 -34.563 1.00 0.00 O ATOM 287 CB ASP A1790 6.072 9.646 -33.770 1.00 0.00 C ATOM 288 CG ASP A1790 5.332 10.896 -33.268 1.00 0.00 C ATOM 289 OD1 ASP A1790 4.120 11.041 -33.561 1.00 0.00 O ATOM 290 OD2 ASP A1790 5.968 11.744 -32.599 1.00 0.00 O ATOM 0 H ASP A1790 6.328 9.162 -31.336 1.00 0.00 H new ATOM 0 HA ASP A1790 4.490 8.257 -33.325 1.00 0.00 H new ATOM 0 HB2 ASP A1790 7.137 9.751 -33.565 1.00 0.00 H new ATOM 0 HB3 ASP A1790 5.961 9.571 -34.852 1.00 0.00 H new ATOM 295 N PHE A1791 7.502 6.865 -33.244 1.00 0.00 N ATOM 296 CA PHE A1791 8.276 5.691 -33.642 1.00 0.00 C ATOM 297 C PHE A1791 7.662 4.388 -33.109 1.00 0.00 C ATOM 298 O PHE A1791 7.588 3.396 -33.834 1.00 0.00 O ATOM 299 CB PHE A1791 9.734 5.868 -33.185 1.00 0.00 C ATOM 300 CG PHE A1791 10.389 7.132 -33.711 1.00 0.00 C ATOM 301 CD1 PHE A1791 10.646 7.266 -35.086 1.00 0.00 C ATOM 302 CD2 PHE A1791 10.696 8.193 -32.840 1.00 0.00 C ATOM 303 CE1 PHE A1791 11.197 8.460 -35.591 1.00 0.00 C ATOM 304 CE2 PHE A1791 11.244 9.388 -33.341 1.00 0.00 C ATOM 305 CZ PHE A1791 11.496 9.523 -34.720 1.00 0.00 C ATOM 0 H PHE A1791 7.982 7.458 -32.567 1.00 0.00 H new ATOM 0 HA PHE A1791 8.254 5.608 -34.729 1.00 0.00 H new ATOM 0 HB2 PHE A1791 9.765 5.880 -32.096 1.00 0.00 H new ATOM 0 HB3 PHE A1791 10.315 5.005 -33.511 1.00 0.00 H new ATOM 0 HD1 PHE A1791 10.420 6.451 -35.758 1.00 0.00 H new ATOM 0 HD2 PHE A1791 10.510 8.090 -31.781 1.00 0.00 H new ATOM 0 HE1 PHE A1791 11.390 8.559 -36.649 1.00 0.00 H new ATOM 0 HE2 PHE A1791 11.471 10.202 -32.668 1.00 0.00 H new ATOM 0 HZ PHE A1791 11.917 10.439 -35.107 1.00 0.00 H new ATOM 315 N ASP A1792 7.142 4.395 -31.877 1.00 0.00 N ATOM 316 CA ASP A1792 6.383 3.282 -31.298 1.00 0.00 C ATOM 317 C ASP A1792 5.100 2.987 -32.099 1.00 0.00 C ATOM 318 O ASP A1792 4.846 1.834 -32.458 1.00 0.00 O ATOM 319 CB ASP A1792 6.076 3.588 -29.827 1.00 0.00 C ATOM 320 CG ASP A1792 5.399 2.394 -29.135 1.00 0.00 C ATOM 321 OD1 ASP A1792 6.093 1.393 -28.830 1.00 0.00 O ATOM 322 OD2 ASP A1792 4.174 2.456 -28.883 1.00 0.00 O ATOM 0 H ASP A1792 7.239 5.188 -31.243 1.00 0.00 H new ATOM 0 HA ASP A1792 6.990 2.378 -31.351 1.00 0.00 H new ATOM 0 HB2 ASP A1792 7.000 3.837 -29.305 1.00 0.00 H new ATOM 0 HB3 ASP A1792 5.428 4.462 -29.763 1.00 0.00 H new ATOM 327 N MET A1793 4.330 4.022 -32.461 1.00 0.00 N ATOM 328 CA MET A1793 3.176 3.942 -33.367 1.00 0.00 C ATOM 329 C MET A1793 3.554 3.318 -34.719 1.00 0.00 C ATOM 330 O MET A1793 2.848 2.424 -35.187 1.00 0.00 O ATOM 331 CB MET A1793 2.556 5.340 -33.546 1.00 0.00 C ATOM 332 CG MET A1793 1.412 5.397 -34.576 1.00 0.00 C ATOM 333 SD MET A1793 0.843 7.074 -34.951 1.00 0.00 S ATOM 334 CE MET A1793 2.252 7.707 -35.900 1.00 0.00 C ATOM 0 H MET A1793 4.499 4.969 -32.120 1.00 0.00 H new ATOM 0 HA MET A1793 2.432 3.284 -32.918 1.00 0.00 H new ATOM 0 HB2 MET A1793 2.180 5.684 -32.583 1.00 0.00 H new ATOM 0 HB3 MET A1793 3.338 6.036 -33.850 1.00 0.00 H new ATOM 0 HG2 MET A1793 1.744 4.922 -35.499 1.00 0.00 H new ATOM 0 HG3 MET A1793 0.571 4.814 -34.202 1.00 0.00 H new ATOM 0 HE1 MET A1793 2.612 8.630 -35.445 1.00 0.00 H new ATOM 0 HE2 MET A1793 3.052 6.967 -35.901 1.00 0.00 H new ATOM 0 HE3 MET A1793 1.940 7.906 -36.925 1.00 0.00 H new ATOM 344 N PHE A1794 4.649 3.759 -35.355 1.00 0.00 N ATOM 345 CA PHE A1794 5.124 3.201 -36.622 1.00 0.00 C ATOM 346 C PHE A1794 5.263 1.672 -36.558 1.00 0.00 C ATOM 347 O PHE A1794 4.627 0.966 -37.340 1.00 0.00 O ATOM 348 CB PHE A1794 6.429 3.877 -37.071 1.00 0.00 C ATOM 349 CG PHE A1794 6.890 3.488 -38.466 1.00 0.00 C ATOM 350 CD1 PHE A1794 7.633 2.305 -38.670 1.00 0.00 C ATOM 351 CD2 PHE A1794 6.587 4.313 -39.567 1.00 0.00 C ATOM 352 CE1 PHE A1794 8.061 1.957 -39.962 1.00 0.00 C ATOM 353 CE2 PHE A1794 7.042 3.980 -40.856 1.00 0.00 C ATOM 354 CZ PHE A1794 7.770 2.791 -41.054 1.00 0.00 C ATOM 0 H PHE A1794 5.231 4.518 -35.000 1.00 0.00 H new ATOM 0 HA PHE A1794 4.368 3.415 -37.378 1.00 0.00 H new ATOM 0 HB2 PHE A1794 6.295 4.958 -37.034 1.00 0.00 H new ATOM 0 HB3 PHE A1794 7.216 3.629 -36.359 1.00 0.00 H new ATOM 0 HD1 PHE A1794 7.873 1.667 -37.832 1.00 0.00 H new ATOM 0 HD2 PHE A1794 6.001 5.208 -39.420 1.00 0.00 H new ATOM 0 HE1 PHE A1794 8.616 1.044 -40.116 1.00 0.00 H new ATOM 0 HE2 PHE A1794 6.834 4.634 -41.690 1.00 0.00 H new ATOM 0 HZ PHE A1794 8.104 2.521 -42.045 1.00 0.00 H new ATOM 364 N TYR A1795 6.051 1.140 -35.613 1.00 0.00 N ATOM 365 CA TYR A1795 6.265 -0.308 -35.467 1.00 0.00 C ATOM 366 C TYR A1795 5.024 -1.080 -34.971 1.00 0.00 C ATOM 367 O TYR A1795 4.834 -2.240 -35.347 1.00 0.00 O ATOM 368 CB TYR A1795 7.495 -0.573 -34.595 1.00 0.00 C ATOM 369 CG TYR A1795 8.801 -0.123 -35.238 1.00 0.00 C ATOM 370 CD1 TYR A1795 9.246 -0.734 -36.427 1.00 0.00 C ATOM 371 CD2 TYR A1795 9.566 0.908 -34.658 1.00 0.00 C ATOM 372 CE1 TYR A1795 10.440 -0.315 -37.045 1.00 0.00 C ATOM 373 CE2 TYR A1795 10.761 1.339 -35.271 1.00 0.00 C ATOM 374 CZ TYR A1795 11.203 0.726 -36.464 1.00 0.00 C ATOM 375 OH TYR A1795 12.361 1.142 -37.049 1.00 0.00 O ATOM 0 H TYR A1795 6.558 1.701 -34.928 1.00 0.00 H new ATOM 0 HA TYR A1795 6.449 -0.701 -36.467 1.00 0.00 H new ATOM 0 HB2 TYR A1795 7.372 -0.060 -33.641 1.00 0.00 H new ATOM 0 HB3 TYR A1795 7.554 -1.639 -34.378 1.00 0.00 H new ATOM 0 HD1 TYR A1795 8.666 -1.531 -36.869 1.00 0.00 H new ATOM 0 HD2 TYR A1795 9.236 1.371 -33.740 1.00 0.00 H new ATOM 0 HE1 TYR A1795 10.772 -0.786 -37.958 1.00 0.00 H new ATOM 0 HE2 TYR A1795 11.338 2.138 -34.828 1.00 0.00 H new ATOM 0 HH TYR A1795 12.755 1.865 -36.517 1.00 0.00 H new ATOM 385 N GLU A1796 4.143 -0.466 -34.176 1.00 0.00 N ATOM 386 CA GLU A1796 2.857 -1.057 -33.772 1.00 0.00 C ATOM 387 C GLU A1796 1.917 -1.264 -34.971 1.00 0.00 C ATOM 388 O GLU A1796 1.348 -2.349 -35.145 1.00 0.00 O ATOM 389 CB GLU A1796 2.203 -0.177 -32.692 1.00 0.00 C ATOM 390 CG GLU A1796 0.887 -0.765 -32.154 1.00 0.00 C ATOM 391 CD GLU A1796 0.351 0.052 -30.965 1.00 0.00 C ATOM 392 OE1 GLU A1796 -0.279 1.116 -31.194 1.00 0.00 O ATOM 393 OE2 GLU A1796 0.534 -0.375 -29.798 1.00 0.00 O ATOM 0 H GLU A1796 4.301 0.465 -33.789 1.00 0.00 H new ATOM 0 HA GLU A1796 3.049 -2.046 -33.356 1.00 0.00 H new ATOM 0 HB2 GLU A1796 2.901 -0.047 -31.865 1.00 0.00 H new ATOM 0 HB3 GLU A1796 2.010 0.813 -33.105 1.00 0.00 H new ATOM 0 HG2 GLU A1796 0.143 -0.783 -32.950 1.00 0.00 H new ATOM 0 HG3 GLU A1796 1.048 -1.798 -31.845 1.00 0.00 H new ATOM 400 N ILE A1797 1.760 -0.243 -35.820 1.00 0.00 N ATOM 401 CA ILE A1797 0.961 -0.294 -37.050 1.00 0.00 C ATOM 402 C ILE A1797 1.638 -1.157 -38.137 1.00 0.00 C ATOM 403 O ILE A1797 0.945 -1.845 -38.888 1.00 0.00 O ATOM 404 CB ILE A1797 0.647 1.142 -37.525 1.00 0.00 C ATOM 405 CG1 ILE A1797 -0.202 1.930 -36.497 1.00 0.00 C ATOM 406 CG2 ILE A1797 -0.051 1.176 -38.894 1.00 0.00 C ATOM 407 CD1 ILE A1797 -1.602 1.373 -36.201 1.00 0.00 C ATOM 0 H ILE A1797 2.197 0.666 -35.667 1.00 0.00 H new ATOM 0 HA ILE A1797 0.012 -0.787 -36.839 1.00 0.00 H new ATOM 0 HB ILE A1797 1.618 1.627 -37.623 1.00 0.00 H new ATOM 0 HG12 ILE A1797 0.353 1.977 -35.560 1.00 0.00 H new ATOM 0 HG13 ILE A1797 -0.310 2.954 -36.855 1.00 0.00 H new ATOM 0 HG21 ILE A1797 -0.247 2.210 -39.177 1.00 0.00 H new ATOM 0 HG22 ILE A1797 0.591 0.711 -39.642 1.00 0.00 H new ATOM 0 HG23 ILE A1797 -0.993 0.631 -38.836 1.00 0.00 H new ATOM 0 HD11 ILE A1797 -2.099 2.008 -35.468 1.00 0.00 H new ATOM 0 HD12 ILE A1797 -2.187 1.353 -37.120 1.00 0.00 H new ATOM 0 HD13 ILE A1797 -1.515 0.361 -35.804 1.00 0.00 H new ATOM 419 N TRP A1798 2.973 -1.198 -38.200 1.00 0.00 N ATOM 420 CA TRP A1798 3.752 -2.028 -39.130 1.00 0.00 C ATOM 421 C TRP A1798 3.388 -3.517 -39.067 1.00 0.00 C ATOM 422 O TRP A1798 3.182 -4.160 -40.095 1.00 0.00 O ATOM 423 CB TRP A1798 5.249 -1.832 -38.851 1.00 0.00 C ATOM 424 CG TRP A1798 6.145 -2.645 -39.730 1.00 0.00 C ATOM 425 CD1 TRP A1798 6.706 -3.831 -39.408 1.00 0.00 C ATOM 426 CD2 TRP A1798 6.540 -2.361 -41.097 1.00 0.00 C ATOM 427 NE1 TRP A1798 7.383 -4.328 -40.505 1.00 0.00 N ATOM 428 CE2 TRP A1798 7.310 -3.457 -41.573 1.00 0.00 C ATOM 429 CE3 TRP A1798 6.306 -1.294 -41.987 1.00 0.00 C ATOM 430 CZ2 TRP A1798 7.820 -3.493 -42.875 1.00 0.00 C ATOM 431 CZ3 TRP A1798 6.834 -1.312 -43.288 1.00 0.00 C ATOM 432 CH2 TRP A1798 7.599 -2.406 -43.733 1.00 0.00 C ATOM 0 H TRP A1798 3.562 -0.636 -37.585 1.00 0.00 H new ATOM 0 HA TRP A1798 3.507 -1.699 -40.140 1.00 0.00 H new ATOM 0 HB2 TRP A1798 5.496 -0.778 -38.975 1.00 0.00 H new ATOM 0 HB3 TRP A1798 5.450 -2.087 -37.810 1.00 0.00 H new ATOM 0 HD1 TRP A1798 6.636 -4.314 -38.445 1.00 0.00 H new ATOM 0 HE1 TRP A1798 7.873 -5.222 -40.523 1.00 0.00 H new ATOM 0 HE3 TRP A1798 5.713 -0.451 -41.664 1.00 0.00 H new ATOM 0 HZ2 TRP A1798 8.380 -4.351 -43.217 1.00 0.00 H new ATOM 0 HZ3 TRP A1798 6.652 -0.480 -43.952 1.00 0.00 H new ATOM 0 HH2 TRP A1798 8.014 -2.408 -44.730 1.00 0.00 H new ATOM 443 N GLU A1799 3.256 -4.063 -37.857 1.00 0.00 N ATOM 444 CA GLU A1799 2.944 -5.473 -37.585 1.00 0.00 C ATOM 445 C GLU A1799 1.621 -5.943 -38.231 1.00 0.00 C ATOM 446 O GLU A1799 1.470 -7.115 -38.581 1.00 0.00 O ATOM 447 CB GLU A1799 2.912 -5.646 -36.055 1.00 0.00 C ATOM 448 CG GLU A1799 2.820 -7.106 -35.613 1.00 0.00 C ATOM 449 CD GLU A1799 2.832 -7.212 -34.077 1.00 0.00 C ATOM 450 OE1 GLU A1799 1.795 -6.895 -33.439 1.00 0.00 O ATOM 451 OE2 GLU A1799 3.869 -7.606 -33.488 1.00 0.00 O ATOM 0 H GLU A1799 3.367 -3.516 -37.003 1.00 0.00 H new ATOM 0 HA GLU A1799 3.712 -6.101 -38.036 1.00 0.00 H new ATOM 0 HB2 GLU A1799 3.810 -5.200 -35.627 1.00 0.00 H new ATOM 0 HB3 GLU A1799 2.061 -5.097 -35.652 1.00 0.00 H new ATOM 0 HG2 GLU A1799 1.907 -7.553 -36.006 1.00 0.00 H new ATOM 0 HG3 GLU A1799 3.655 -7.670 -36.028 1.00 0.00 H new ATOM 458 N LYS A1800 0.682 -5.015 -38.446 1.00 0.00 N ATOM 459 CA LYS A1800 -0.624 -5.234 -39.080 1.00 0.00 C ATOM 460 C LYS A1800 -0.516 -5.555 -40.583 1.00 0.00 C ATOM 461 O LYS A1800 -1.432 -6.147 -41.150 1.00 0.00 O ATOM 462 CB LYS A1800 -1.530 -4.009 -38.837 1.00 0.00 C ATOM 463 CG LYS A1800 -1.551 -3.491 -37.383 1.00 0.00 C ATOM 464 CD LYS A1800 -2.165 -4.490 -36.396 1.00 0.00 C ATOM 465 CE LYS A1800 -2.140 -3.986 -34.947 1.00 0.00 C ATOM 466 NZ LYS A1800 -0.784 -4.077 -34.341 1.00 0.00 N ATOM 0 H LYS A1800 0.818 -4.043 -38.169 1.00 0.00 H new ATOM 0 HA LYS A1800 -1.070 -6.114 -38.617 1.00 0.00 H new ATOM 0 HB2 LYS A1800 -1.204 -3.200 -39.490 1.00 0.00 H new ATOM 0 HB3 LYS A1800 -2.548 -4.265 -39.130 1.00 0.00 H new ATOM 0 HG2 LYS A1800 -0.532 -3.261 -37.071 1.00 0.00 H new ATOM 0 HG3 LYS A1800 -2.114 -2.559 -37.344 1.00 0.00 H new ATOM 0 HD2 LYS A1800 -3.195 -4.695 -36.687 1.00 0.00 H new ATOM 0 HD3 LYS A1800 -1.623 -5.434 -36.457 1.00 0.00 H new ATOM 0 HE2 LYS A1800 -2.479 -2.951 -34.919 1.00 0.00 H new ATOM 0 HE3 LYS A1800 -2.842 -4.568 -34.350 1.00 0.00 H new ATOM 0 HZ1 LYS A1800 -0.849 -3.905 -33.317 1.00 0.00 H new ATOM 0 HZ2 LYS A1800 -0.392 -5.025 -34.509 1.00 0.00 H new ATOM 0 HZ3 LYS A1800 -0.162 -3.364 -34.773 1.00 0.00 H new ATOM 480 N PHE A1801 0.611 -5.197 -41.213 1.00 0.00 N ATOM 481 CA PHE A1801 0.944 -5.426 -42.627 1.00 0.00 C ATOM 482 C PHE A1801 2.155 -6.358 -42.822 1.00 0.00 C ATOM 483 O PHE A1801 2.313 -6.942 -43.896 1.00 0.00 O ATOM 484 CB PHE A1801 1.180 -4.071 -43.312 1.00 0.00 C ATOM 485 CG PHE A1801 -0.003 -3.137 -43.186 1.00 0.00 C ATOM 486 CD1 PHE A1801 -1.072 -3.226 -44.096 1.00 0.00 C ATOM 487 CD2 PHE A1801 -0.079 -2.245 -42.103 1.00 0.00 C ATOM 488 CE1 PHE A1801 -2.212 -2.421 -43.925 1.00 0.00 C ATOM 489 CE2 PHE A1801 -1.225 -1.452 -41.923 1.00 0.00 C ATOM 490 CZ PHE A1801 -2.288 -1.537 -42.835 1.00 0.00 C ATOM 0 H PHE A1801 1.360 -4.711 -40.720 1.00 0.00 H new ATOM 0 HA PHE A1801 0.099 -5.938 -43.088 1.00 0.00 H new ATOM 0 HB2 PHE A1801 2.059 -3.597 -42.876 1.00 0.00 H new ATOM 0 HB3 PHE A1801 1.397 -4.235 -44.368 1.00 0.00 H new ATOM 0 HD1 PHE A1801 -1.017 -3.914 -44.927 1.00 0.00 H new ATOM 0 HD2 PHE A1801 0.744 -2.169 -41.408 1.00 0.00 H new ATOM 0 HE1 PHE A1801 -3.028 -2.482 -44.630 1.00 0.00 H new ATOM 0 HE2 PHE A1801 -1.288 -0.777 -41.082 1.00 0.00 H new ATOM 0 HZ PHE A1801 -3.166 -0.922 -42.699 1.00 0.00 H new ATOM 500 N ASP A1802 2.963 -6.559 -41.777 1.00 0.00 N ATOM 501 CA ASP A1802 4.070 -7.520 -41.710 1.00 0.00 C ATOM 502 C ASP A1802 3.826 -8.568 -40.597 1.00 0.00 C ATOM 503 O ASP A1802 4.516 -8.568 -39.571 1.00 0.00 O ATOM 504 CB ASP A1802 5.388 -6.744 -41.524 1.00 0.00 C ATOM 505 CG ASP A1802 6.641 -7.635 -41.495 1.00 0.00 C ATOM 506 OD1 ASP A1802 6.582 -8.808 -41.937 1.00 0.00 O ATOM 507 OD2 ASP A1802 7.699 -7.156 -41.023 1.00 0.00 O ATOM 0 H ASP A1802 2.858 -6.030 -40.911 1.00 0.00 H new ATOM 0 HA ASP A1802 4.136 -8.084 -42.640 1.00 0.00 H new ATOM 0 HB2 ASP A1802 5.488 -6.020 -42.333 1.00 0.00 H new ATOM 0 HB3 ASP A1802 5.336 -6.178 -40.594 1.00 0.00 H new ATOM 512 N PRO A1803 2.861 -9.494 -40.781 1.00 0.00 N ATOM 513 CA PRO A1803 2.619 -10.601 -39.850 1.00 0.00 C ATOM 514 C PRO A1803 3.728 -11.671 -39.898 1.00 0.00 C ATOM 515 O PRO A1803 3.866 -12.472 -38.973 1.00 0.00 O ATOM 516 CB PRO A1803 1.264 -11.178 -40.271 1.00 0.00 C ATOM 517 CG PRO A1803 1.231 -10.927 -41.779 1.00 0.00 C ATOM 518 CD PRO A1803 1.943 -9.582 -41.909 1.00 0.00 C ATOM 0 HA PRO A1803 2.619 -10.254 -38.817 1.00 0.00 H new ATOM 0 HB2 PRO A1803 1.189 -12.240 -40.038 1.00 0.00 H new ATOM 0 HB3 PRO A1803 0.439 -10.680 -39.762 1.00 0.00 H new ATOM 0 HG2 PRO A1803 1.745 -11.713 -42.332 1.00 0.00 H new ATOM 0 HG3 PRO A1803 0.211 -10.884 -42.161 1.00 0.00 H new ATOM 0 HD2 PRO A1803 2.482 -9.517 -42.854 1.00 0.00 H new ATOM 0 HD3 PRO A1803 1.227 -8.760 -41.893 1.00 0.00 H new ATOM 526 N GLU A1804 4.548 -11.669 -40.953 1.00 0.00 N ATOM 527 CA GLU A1804 5.769 -12.474 -41.098 1.00 0.00 C ATOM 528 C GLU A1804 6.921 -11.988 -40.188 1.00 0.00 C ATOM 529 O GLU A1804 7.908 -12.700 -40.008 1.00 0.00 O ATOM 530 CB GLU A1804 6.242 -12.439 -42.564 1.00 0.00 C ATOM 531 CG GLU A1804 5.202 -12.914 -43.586 1.00 0.00 C ATOM 532 CD GLU A1804 5.794 -12.930 -45.008 1.00 0.00 C ATOM 533 OE1 GLU A1804 5.815 -11.867 -45.674 1.00 0.00 O ATOM 534 OE2 GLU A1804 6.238 -14.007 -45.482 1.00 0.00 O ATOM 0 H GLU A1804 4.373 -11.080 -41.767 1.00 0.00 H new ATOM 0 HA GLU A1804 5.515 -13.490 -40.795 1.00 0.00 H new ATOM 0 HB2 GLU A1804 6.535 -11.419 -42.812 1.00 0.00 H new ATOM 0 HB3 GLU A1804 7.133 -13.059 -42.659 1.00 0.00 H new ATOM 0 HG2 GLU A1804 4.856 -13.913 -43.321 1.00 0.00 H new ATOM 0 HG3 GLU A1804 4.332 -12.257 -43.557 1.00 0.00 H new ATOM 541 N ALA A1805 6.812 -10.773 -39.623 1.00 0.00 N ATOM 542 CA ALA A1805 7.877 -10.011 -38.958 1.00 0.00 C ATOM 543 C ALA A1805 9.182 -9.893 -39.781 1.00 0.00 C ATOM 544 O ALA A1805 10.262 -9.673 -39.223 1.00 0.00 O ATOM 545 CB ALA A1805 8.078 -10.549 -37.534 1.00 0.00 C ATOM 0 H ALA A1805 5.925 -10.269 -39.619 1.00 0.00 H new ATOM 0 HA ALA A1805 7.551 -8.974 -38.883 1.00 0.00 H new ATOM 0 HB1 ALA A1805 8.868 -9.984 -37.040 1.00 0.00 H new ATOM 0 HB2 ALA A1805 7.150 -10.444 -36.971 1.00 0.00 H new ATOM 0 HB3 ALA A1805 8.358 -11.601 -37.579 1.00 0.00 H new ATOM 551 N THR A1806 9.110 -10.045 -41.113 1.00 0.00 N ATOM 552 CA THR A1806 10.259 -10.137 -42.027 1.00 0.00 C ATOM 553 C THR A1806 10.945 -8.784 -42.308 1.00 0.00 C ATOM 554 O THR A1806 11.974 -8.754 -42.981 1.00 0.00 O ATOM 555 CB THR A1806 9.858 -10.851 -43.338 1.00 0.00 C ATOM 556 OG1 THR A1806 10.999 -11.329 -44.025 1.00 0.00 O ATOM 557 CG2 THR A1806 9.035 -10.004 -44.304 1.00 0.00 C ATOM 0 H THR A1806 8.217 -10.110 -41.601 1.00 0.00 H new ATOM 0 HA THR A1806 11.009 -10.738 -41.512 1.00 0.00 H new ATOM 0 HB THR A1806 9.221 -11.673 -43.011 1.00 0.00 H new ATOM 0 HG1 THR A1806 11.732 -10.686 -43.929 1.00 0.00 H new ATOM 0 HG21 THR A1806 8.802 -10.589 -45.193 1.00 0.00 H new ATOM 0 HG22 THR A1806 8.109 -9.696 -43.819 1.00 0.00 H new ATOM 0 HG23 THR A1806 9.606 -9.121 -44.590 1.00 0.00 H new ATOM 565 N GLN A1807 10.401 -7.673 -41.796 1.00 0.00 N ATOM 566 CA GLN A1807 10.857 -6.288 -41.973 1.00 0.00 C ATOM 567 C GLN A1807 10.626 -5.732 -43.392 1.00 0.00 C ATOM 568 O GLN A1807 11.144 -4.665 -43.722 1.00 0.00 O ATOM 569 CB GLN A1807 12.302 -6.087 -41.466 1.00 0.00 C ATOM 570 CG GLN A1807 12.575 -6.649 -40.059 1.00 0.00 C ATOM 571 CD GLN A1807 11.620 -6.103 -39.001 1.00 0.00 C ATOM 572 OE1 GLN A1807 11.587 -4.916 -38.700 1.00 0.00 O ATOM 573 NE2 GLN A1807 10.808 -6.939 -38.385 1.00 0.00 N ATOM 0 H GLN A1807 9.571 -7.722 -41.205 1.00 0.00 H new ATOM 0 HA GLN A1807 10.216 -5.678 -41.337 1.00 0.00 H new ATOM 0 HB2 GLN A1807 12.988 -6.558 -42.170 1.00 0.00 H new ATOM 0 HB3 GLN A1807 12.527 -5.021 -41.466 1.00 0.00 H new ATOM 0 HG2 GLN A1807 12.495 -7.736 -40.086 1.00 0.00 H new ATOM 0 HG3 GLN A1807 13.600 -6.412 -39.772 1.00 0.00 H new ATOM 0 HE21 GLN A1807 10.821 -7.931 -38.622 1.00 0.00 H new ATOM 0 HE22 GLN A1807 10.166 -6.594 -37.671 1.00 0.00 H new ATOM 582 N PHE A1808 9.789 -6.402 -44.198 1.00 0.00 N ATOM 583 CA PHE A1808 9.391 -5.992 -45.549 1.00 0.00 C ATOM 584 C PHE A1808 7.861 -6.032 -45.720 1.00 0.00 C ATOM 585 O PHE A1808 7.217 -6.950 -45.209 1.00 0.00 O ATOM 586 CB PHE A1808 10.045 -6.928 -46.586 1.00 0.00 C ATOM 587 CG PHE A1808 11.544 -7.143 -46.450 1.00 0.00 C ATOM 588 CD1 PHE A1808 12.433 -6.058 -46.546 1.00 0.00 C ATOM 589 CD2 PHE A1808 12.059 -8.440 -46.257 1.00 0.00 C ATOM 590 CE1 PHE A1808 13.819 -6.250 -46.388 1.00 0.00 C ATOM 591 CE2 PHE A1808 13.444 -8.640 -46.117 1.00 0.00 C ATOM 592 CZ PHE A1808 14.324 -7.543 -46.174 1.00 0.00 C ATOM 0 H PHE A1808 9.354 -7.280 -43.913 1.00 0.00 H new ATOM 0 HA PHE A1808 9.726 -4.966 -45.704 1.00 0.00 H new ATOM 0 HB2 PHE A1808 9.554 -7.899 -46.528 1.00 0.00 H new ATOM 0 HB3 PHE A1808 9.846 -6.529 -47.581 1.00 0.00 H new ATOM 0 HD1 PHE A1808 12.049 -5.068 -46.743 1.00 0.00 H new ATOM 0 HD2 PHE A1808 11.387 -9.285 -46.216 1.00 0.00 H new ATOM 0 HE1 PHE A1808 14.491 -5.406 -46.431 1.00 0.00 H new ATOM 0 HE2 PHE A1808 13.833 -9.636 -45.966 1.00 0.00 H new ATOM 0 HZ PHE A1808 15.386 -7.695 -46.053 1.00 0.00 H new ATOM 602 N ILE A1809 7.274 -5.139 -46.526 1.00 0.00 N ATOM 603 CA ILE A1809 5.882 -5.221 -47.032 1.00 0.00 C ATOM 604 C ILE A1809 5.814 -4.962 -48.540 1.00 0.00 C ATOM 605 O ILE A1809 6.726 -4.371 -49.103 1.00 0.00 O ATOM 606 CB ILE A1809 4.918 -4.269 -46.277 1.00 0.00 C ATOM 607 CG1 ILE A1809 5.245 -2.772 -46.499 1.00 0.00 C ATOM 608 CG2 ILE A1809 4.846 -4.660 -44.795 1.00 0.00 C ATOM 609 CD1 ILE A1809 4.279 -1.809 -45.800 1.00 0.00 C ATOM 0 H ILE A1809 7.764 -4.309 -46.860 1.00 0.00 H new ATOM 0 HA ILE A1809 5.550 -6.242 -46.841 1.00 0.00 H new ATOM 0 HB ILE A1809 3.922 -4.394 -46.702 1.00 0.00 H new ATOM 0 HG12 ILE A1809 6.257 -2.576 -46.144 1.00 0.00 H new ATOM 0 HG13 ILE A1809 5.237 -2.564 -47.569 1.00 0.00 H new ATOM 0 HG21 ILE A1809 4.167 -3.986 -44.273 1.00 0.00 H new ATOM 0 HG22 ILE A1809 4.481 -5.683 -44.706 1.00 0.00 H new ATOM 0 HG23 ILE A1809 5.839 -4.589 -44.351 1.00 0.00 H new ATOM 0 HD11 ILE A1809 4.578 -0.781 -46.006 1.00 0.00 H new ATOM 0 HD12 ILE A1809 3.268 -1.974 -46.172 1.00 0.00 H new ATOM 0 HD13 ILE A1809 4.303 -1.986 -44.725 1.00 0.00 H new ATOM 621 N GLU A1810 4.739 -5.397 -49.197 1.00 0.00 N ATOM 622 CA GLU A1810 4.479 -5.145 -50.625 1.00 0.00 C ATOM 623 C GLU A1810 4.027 -3.698 -50.883 1.00 0.00 C ATOM 624 O GLU A1810 3.288 -3.123 -50.079 1.00 0.00 O ATOM 625 CB GLU A1810 3.406 -6.115 -51.142 1.00 0.00 C ATOM 626 CG GLU A1810 3.854 -7.578 -51.165 1.00 0.00 C ATOM 627 CD GLU A1810 2.684 -8.511 -51.535 1.00 0.00 C ATOM 628 OE1 GLU A1810 2.294 -8.565 -52.728 1.00 0.00 O ATOM 629 OE2 GLU A1810 2.134 -9.195 -50.637 1.00 0.00 O ATOM 0 H GLU A1810 4.006 -5.946 -48.748 1.00 0.00 H new ATOM 0 HA GLU A1810 5.416 -5.304 -51.159 1.00 0.00 H new ATOM 0 HB2 GLU A1810 2.518 -6.027 -50.516 1.00 0.00 H new ATOM 0 HB3 GLU A1810 3.116 -5.818 -52.150 1.00 0.00 H new ATOM 0 HG2 GLU A1810 4.664 -7.702 -51.884 1.00 0.00 H new ATOM 0 HG3 GLU A1810 4.250 -7.856 -50.188 1.00 0.00 H new ATOM 636 N TYR A1811 4.365 -3.131 -52.047 1.00 0.00 N ATOM 637 CA TYR A1811 3.891 -1.795 -52.446 1.00 0.00 C ATOM 638 C TYR A1811 2.354 -1.700 -52.490 1.00 0.00 C ATOM 639 O TYR A1811 1.769 -0.670 -52.147 1.00 0.00 O ATOM 640 CB TYR A1811 4.509 -1.405 -53.797 1.00 0.00 C ATOM 641 CG TYR A1811 4.555 0.094 -54.037 1.00 0.00 C ATOM 642 CD1 TYR A1811 5.579 0.867 -53.454 1.00 0.00 C ATOM 643 CD2 TYR A1811 3.578 0.720 -54.835 1.00 0.00 C ATOM 644 CE1 TYR A1811 5.639 2.257 -53.669 1.00 0.00 C ATOM 645 CE2 TYR A1811 3.629 2.111 -55.056 1.00 0.00 C ATOM 646 CZ TYR A1811 4.662 2.882 -54.475 1.00 0.00 C ATOM 647 OH TYR A1811 4.720 4.224 -54.698 1.00 0.00 O ATOM 0 H TYR A1811 4.970 -3.579 -52.736 1.00 0.00 H new ATOM 0 HA TYR A1811 4.218 -1.088 -51.684 1.00 0.00 H new ATOM 0 HB2 TYR A1811 5.522 -1.804 -53.852 1.00 0.00 H new ATOM 0 HB3 TYR A1811 3.937 -1.875 -54.597 1.00 0.00 H new ATOM 0 HD1 TYR A1811 6.325 0.389 -52.836 1.00 0.00 H new ATOM 0 HD2 TYR A1811 2.788 0.133 -55.279 1.00 0.00 H new ATOM 0 HE1 TYR A1811 6.428 2.842 -53.220 1.00 0.00 H new ATOM 0 HE2 TYR A1811 2.879 2.588 -55.669 1.00 0.00 H new ATOM 0 HH TYR A1811 5.654 4.520 -54.673 1.00 0.00 H new ATOM 657 N SER A1812 1.697 -2.814 -52.844 1.00 0.00 N ATOM 658 CA SER A1812 0.235 -2.999 -52.900 1.00 0.00 C ATOM 659 C SER A1812 -0.481 -2.884 -51.541 1.00 0.00 C ATOM 660 O SER A1812 -1.703 -2.728 -51.516 1.00 0.00 O ATOM 661 CB SER A1812 -0.084 -4.376 -53.495 1.00 0.00 C ATOM 662 OG SER A1812 0.538 -4.545 -54.759 1.00 0.00 O ATOM 0 H SER A1812 2.198 -3.660 -53.115 1.00 0.00 H new ATOM 0 HA SER A1812 -0.137 -2.184 -53.521 1.00 0.00 H new ATOM 0 HB2 SER A1812 0.253 -5.157 -52.813 1.00 0.00 H new ATOM 0 HB3 SER A1812 -1.163 -4.489 -53.600 1.00 0.00 H new ATOM 0 HG SER A1812 0.320 -5.432 -55.115 1.00 0.00 H new ATOM 668 N VAL A1813 0.245 -2.932 -50.413 1.00 0.00 N ATOM 669 CA VAL A1813 -0.290 -2.694 -49.051 1.00 0.00 C ATOM 670 C VAL A1813 0.395 -1.527 -48.322 1.00 0.00 C ATOM 671 O VAL A1813 -0.149 -1.018 -47.342 1.00 0.00 O ATOM 672 CB VAL A1813 -0.272 -3.960 -48.171 1.00 0.00 C ATOM 673 CG1 VAL A1813 -1.081 -5.098 -48.803 1.00 0.00 C ATOM 674 CG2 VAL A1813 1.137 -4.465 -47.840 1.00 0.00 C ATOM 0 H VAL A1813 1.243 -3.142 -50.416 1.00 0.00 H new ATOM 0 HA VAL A1813 -1.330 -2.411 -49.212 1.00 0.00 H new ATOM 0 HB VAL A1813 -0.736 -3.653 -47.234 1.00 0.00 H new ATOM 0 HG11 VAL A1813 -1.045 -5.973 -48.155 1.00 0.00 H new ATOM 0 HG12 VAL A1813 -2.116 -4.782 -48.929 1.00 0.00 H new ATOM 0 HG13 VAL A1813 -0.657 -5.349 -49.775 1.00 0.00 H new ATOM 0 HG21 VAL A1813 1.067 -5.358 -47.218 1.00 0.00 H new ATOM 0 HG22 VAL A1813 1.663 -4.706 -48.764 1.00 0.00 H new ATOM 0 HG23 VAL A1813 1.684 -3.691 -47.302 1.00 0.00 H new ATOM 684 N LEU A1814 1.536 -1.034 -48.817 1.00 0.00 N ATOM 685 CA LEU A1814 2.220 0.155 -48.311 1.00 0.00 C ATOM 686 C LEU A1814 1.304 1.394 -48.340 1.00 0.00 C ATOM 687 O LEU A1814 1.285 2.169 -47.387 1.00 0.00 O ATOM 688 CB LEU A1814 3.520 0.349 -49.111 1.00 0.00 C ATOM 689 CG LEU A1814 4.538 1.320 -48.476 1.00 0.00 C ATOM 690 CD1 LEU A1814 5.936 0.961 -48.976 1.00 0.00 C ATOM 691 CD2 LEU A1814 4.299 2.788 -48.832 1.00 0.00 C ATOM 0 H LEU A1814 2.021 -1.466 -49.604 1.00 0.00 H new ATOM 0 HA LEU A1814 2.478 0.016 -47.261 1.00 0.00 H new ATOM 0 HB2 LEU A1814 3.998 -0.622 -49.239 1.00 0.00 H new ATOM 0 HB3 LEU A1814 3.265 0.713 -50.106 1.00 0.00 H new ATOM 0 HG LEU A1814 4.428 1.214 -47.397 1.00 0.00 H new ATOM 0 HD11 LEU A1814 6.666 1.640 -48.535 1.00 0.00 H new ATOM 0 HD12 LEU A1814 6.173 -0.063 -48.689 1.00 0.00 H new ATOM 0 HD13 LEU A1814 5.968 1.050 -50.062 1.00 0.00 H new ATOM 0 HD21 LEU A1814 5.054 3.407 -48.348 1.00 0.00 H new ATOM 0 HD22 LEU A1814 4.363 2.915 -49.913 1.00 0.00 H new ATOM 0 HD23 LEU A1814 3.309 3.089 -48.489 1.00 0.00 H new ATOM 703 N SER A1815 0.481 1.542 -49.382 1.00 0.00 N ATOM 704 CA SER A1815 -0.535 2.598 -49.488 1.00 0.00 C ATOM 705 C SER A1815 -1.659 2.523 -48.446 1.00 0.00 C ATOM 706 O SER A1815 -2.260 3.556 -48.132 1.00 0.00 O ATOM 707 CB SER A1815 -1.122 2.621 -50.901 1.00 0.00 C ATOM 708 OG SER A1815 -1.668 1.353 -51.242 1.00 0.00 O ATOM 0 H SER A1815 0.501 0.921 -50.191 1.00 0.00 H new ATOM 0 HA SER A1815 -0.010 3.529 -49.275 1.00 0.00 H new ATOM 0 HB2 SER A1815 -1.897 3.385 -50.965 1.00 0.00 H new ATOM 0 HB3 SER A1815 -0.347 2.893 -51.617 1.00 0.00 H new ATOM 0 HG SER A1815 -2.039 1.390 -52.148 1.00 0.00 H new ATOM 714 N ASP A1816 -1.922 1.354 -47.859 1.00 0.00 N ATOM 715 CA ASP A1816 -2.871 1.194 -46.752 1.00 0.00 C ATOM 716 C ASP A1816 -2.179 1.315 -45.380 1.00 0.00 C ATOM 717 O ASP A1816 -2.763 1.880 -44.455 1.00 0.00 O ATOM 718 CB ASP A1816 -3.632 -0.133 -46.895 1.00 0.00 C ATOM 719 CG ASP A1816 -4.916 -0.151 -46.051 1.00 0.00 C ATOM 720 OD1 ASP A1816 -5.737 0.786 -46.205 1.00 0.00 O ATOM 721 OD2 ASP A1816 -5.129 -1.108 -45.268 1.00 0.00 O ATOM 0 H ASP A1816 -1.477 0.480 -48.141 1.00 0.00 H new ATOM 0 HA ASP A1816 -3.594 2.008 -46.803 1.00 0.00 H new ATOM 0 HB2 ASP A1816 -3.884 -0.296 -47.943 1.00 0.00 H new ATOM 0 HB3 ASP A1816 -2.986 -0.957 -46.591 1.00 0.00 H new ATOM 726 N PHE A1817 -0.911 0.898 -45.258 1.00 0.00 N ATOM 727 CA PHE A1817 -0.037 1.191 -44.115 1.00 0.00 C ATOM 728 C PHE A1817 0.159 2.702 -43.910 1.00 0.00 C ATOM 729 O PHE A1817 -0.050 3.214 -42.810 1.00 0.00 O ATOM 730 CB PHE A1817 1.312 0.474 -44.299 1.00 0.00 C ATOM 731 CG PHE A1817 2.387 0.914 -43.322 1.00 0.00 C ATOM 732 CD1 PHE A1817 2.265 0.597 -41.956 1.00 0.00 C ATOM 733 CD2 PHE A1817 3.473 1.694 -43.765 1.00 0.00 C ATOM 734 CE1 PHE A1817 3.207 1.077 -41.031 1.00 0.00 C ATOM 735 CE2 PHE A1817 4.425 2.164 -42.843 1.00 0.00 C ATOM 736 CZ PHE A1817 4.290 1.856 -41.473 1.00 0.00 C ATOM 0 H PHE A1817 -0.453 0.332 -45.972 1.00 0.00 H new ATOM 0 HA PHE A1817 -0.520 0.816 -43.212 1.00 0.00 H new ATOM 0 HB2 PHE A1817 1.158 -0.600 -44.193 1.00 0.00 H new ATOM 0 HB3 PHE A1817 1.667 0.646 -45.315 1.00 0.00 H new ATOM 0 HD1 PHE A1817 1.444 -0.018 -41.618 1.00 0.00 H new ATOM 0 HD2 PHE A1817 3.575 1.931 -44.814 1.00 0.00 H new ATOM 0 HE1 PHE A1817 3.099 0.848 -39.981 1.00 0.00 H new ATOM 0 HE2 PHE A1817 5.259 2.760 -43.183 1.00 0.00 H new ATOM 0 HZ PHE A1817 5.019 2.219 -40.764 1.00 0.00 H new ATOM 746 N ALA A1818 0.490 3.425 -44.982 1.00 0.00 N ATOM 747 CA ALA A1818 0.616 4.880 -45.005 1.00 0.00 C ATOM 748 C ALA A1818 -0.645 5.613 -44.498 1.00 0.00 C ATOM 749 O ALA A1818 -0.534 6.694 -43.918 1.00 0.00 O ATOM 750 CB ALA A1818 0.956 5.293 -46.443 1.00 0.00 C ATOM 0 H ALA A1818 0.684 2.997 -45.887 1.00 0.00 H new ATOM 0 HA ALA A1818 1.408 5.173 -44.316 1.00 0.00 H new ATOM 0 HB1 ALA A1818 1.057 6.377 -46.496 1.00 0.00 H new ATOM 0 HB2 ALA A1818 1.894 4.826 -46.744 1.00 0.00 H new ATOM 0 HB3 ALA A1818 0.159 4.970 -47.112 1.00 0.00 H new ATOM 756 N ASP A1819 -1.830 5.020 -44.677 1.00 0.00 N ATOM 757 CA ASP A1819 -3.127 5.532 -44.210 1.00 0.00 C ATOM 758 C ASP A1819 -3.598 4.943 -42.854 1.00 0.00 C ATOM 759 O ASP A1819 -4.618 5.376 -42.313 1.00 0.00 O ATOM 760 CB ASP A1819 -4.164 5.312 -45.318 1.00 0.00 C ATOM 761 CG ASP A1819 -5.510 5.999 -45.038 1.00 0.00 C ATOM 762 OD1 ASP A1819 -5.531 7.243 -44.877 1.00 0.00 O ATOM 763 OD2 ASP A1819 -6.541 5.290 -45.011 1.00 0.00 O ATOM 0 H ASP A1819 -1.917 4.132 -45.172 1.00 0.00 H new ATOM 0 HA ASP A1819 -3.008 6.596 -44.007 1.00 0.00 H new ATOM 0 HB2 ASP A1819 -3.763 5.685 -46.260 1.00 0.00 H new ATOM 0 HB3 ASP A1819 -4.330 4.242 -45.443 1.00 0.00 H new ATOM 768 N ALA A1820 -2.865 3.991 -42.266 1.00 0.00 N ATOM 769 CA ALA A1820 -3.209 3.368 -40.979 1.00 0.00 C ATOM 770 C ALA A1820 -2.565 4.083 -39.772 1.00 0.00 C ATOM 771 O ALA A1820 -3.031 3.950 -38.636 1.00 0.00 O ATOM 772 CB ALA A1820 -2.803 1.894 -41.027 1.00 0.00 C ATOM 0 H ALA A1820 -2.005 3.626 -42.674 1.00 0.00 H new ATOM 0 HA ALA A1820 -4.285 3.458 -40.833 1.00 0.00 H new ATOM 0 HB1 ALA A1820 -3.052 1.417 -40.079 1.00 0.00 H new ATOM 0 HB2 ALA A1820 -3.338 1.395 -41.835 1.00 0.00 H new ATOM 0 HB3 ALA A1820 -1.730 1.818 -41.201 1.00 0.00 H new ATOM 778 N LEU A1821 -1.504 4.854 -40.020 1.00 0.00 N ATOM 779 CA LEU A1821 -0.781 5.691 -39.060 1.00 0.00 C ATOM 780 C LEU A1821 -1.607 6.921 -38.634 1.00 0.00 C ATOM 781 O LEU A1821 -2.620 7.263 -39.258 1.00 0.00 O ATOM 782 CB LEU A1821 0.531 6.141 -39.736 1.00 0.00 C ATOM 783 CG LEU A1821 1.486 4.972 -40.066 1.00 0.00 C ATOM 784 CD1 LEU A1821 2.321 5.328 -41.291 1.00 0.00 C ATOM 785 CD2 LEU A1821 2.410 4.648 -38.895 1.00 0.00 C ATOM 0 H LEU A1821 -1.102 4.914 -40.955 1.00 0.00 H new ATOM 0 HA LEU A1821 -0.583 5.117 -38.155 1.00 0.00 H new ATOM 0 HB2 LEU A1821 0.292 6.675 -40.656 1.00 0.00 H new ATOM 0 HB3 LEU A1821 1.044 6.846 -39.082 1.00 0.00 H new ATOM 0 HG LEU A1821 0.879 4.089 -40.267 1.00 0.00 H new ATOM 0 HD11 LEU A1821 2.995 4.504 -41.524 1.00 0.00 H new ATOM 0 HD12 LEU A1821 1.662 5.509 -42.140 1.00 0.00 H new ATOM 0 HD13 LEU A1821 2.904 6.226 -41.086 1.00 0.00 H new ATOM 0 HD21 LEU A1821 3.066 3.821 -39.167 1.00 0.00 H new ATOM 0 HD22 LEU A1821 3.012 5.524 -38.653 1.00 0.00 H new ATOM 0 HD23 LEU A1821 1.813 4.368 -38.027 1.00 0.00 H new ATOM 797 N SER A1822 -1.133 7.647 -37.615 1.00 0.00 N ATOM 798 CA SER A1822 -1.571 9.020 -37.323 1.00 0.00 C ATOM 799 C SER A1822 -0.525 10.040 -37.802 1.00 0.00 C ATOM 800 O SER A1822 0.611 9.692 -38.137 1.00 0.00 O ATOM 801 CB SER A1822 -1.874 9.172 -35.829 1.00 0.00 C ATOM 802 OG SER A1822 -2.661 10.332 -35.603 1.00 0.00 O ATOM 0 H SER A1822 -0.430 7.297 -36.964 1.00 0.00 H new ATOM 0 HA SER A1822 -2.491 9.222 -37.871 1.00 0.00 H new ATOM 0 HB2 SER A1822 -2.401 8.290 -35.466 1.00 0.00 H new ATOM 0 HB3 SER A1822 -0.943 9.241 -35.267 1.00 0.00 H new ATOM 0 HG SER A1822 -2.850 10.418 -34.645 1.00 0.00 H new ATOM 808 N GLU A1823 -0.910 11.308 -37.890 1.00 0.00 N ATOM 809 CA GLU A1823 -0.006 12.404 -38.259 1.00 0.00 C ATOM 810 C GLU A1823 1.128 12.573 -37.211 1.00 0.00 C ATOM 811 O GLU A1823 0.917 12.248 -36.036 1.00 0.00 O ATOM 812 CB GLU A1823 -0.819 13.709 -38.374 1.00 0.00 C ATOM 813 CG GLU A1823 -1.795 13.680 -39.562 1.00 0.00 C ATOM 814 CD GLU A1823 -2.597 14.992 -39.650 1.00 0.00 C ATOM 815 OE1 GLU A1823 -3.686 15.097 -39.033 1.00 0.00 O ATOM 816 OE2 GLU A1823 -2.149 15.933 -40.348 1.00 0.00 O ATOM 0 H GLU A1823 -1.866 11.613 -37.707 1.00 0.00 H new ATOM 0 HA GLU A1823 0.459 12.169 -39.217 1.00 0.00 H new ATOM 0 HB2 GLU A1823 -1.376 13.871 -37.451 1.00 0.00 H new ATOM 0 HB3 GLU A1823 -0.137 14.552 -38.486 1.00 0.00 H new ATOM 0 HG2 GLU A1823 -1.242 13.525 -40.488 1.00 0.00 H new ATOM 0 HG3 GLU A1823 -2.479 12.838 -39.455 1.00 0.00 H new ATOM 823 N PRO A1824 2.307 13.134 -37.571 1.00 0.00 N ATOM 824 CA PRO A1824 2.743 13.548 -38.915 1.00 0.00 C ATOM 825 C PRO A1824 3.062 12.417 -39.916 1.00 0.00 C ATOM 826 O PRO A1824 3.133 12.680 -41.116 1.00 0.00 O ATOM 827 CB PRO A1824 4.014 14.378 -38.686 1.00 0.00 C ATOM 828 CG PRO A1824 3.955 14.794 -37.220 1.00 0.00 C ATOM 829 CD PRO A1824 3.280 13.585 -36.584 1.00 0.00 C ATOM 0 HA PRO A1824 1.913 14.080 -39.380 1.00 0.00 H new ATOM 0 HB2 PRO A1824 4.910 13.793 -38.895 1.00 0.00 H new ATOM 0 HB3 PRO A1824 4.041 15.248 -39.342 1.00 0.00 H new ATOM 0 HG2 PRO A1824 4.947 14.975 -36.805 1.00 0.00 H new ATOM 0 HG3 PRO A1824 3.378 15.708 -37.076 1.00 0.00 H new ATOM 0 HD2 PRO A1824 4.004 12.802 -36.357 1.00 0.00 H new ATOM 0 HD3 PRO A1824 2.795 13.852 -35.645 1.00 0.00 H new ATOM 837 N LEU A1825 3.278 11.177 -39.452 1.00 0.00 N ATOM 838 CA LEU A1825 3.762 10.067 -40.292 1.00 0.00 C ATOM 839 C LEU A1825 2.735 9.586 -41.337 1.00 0.00 C ATOM 840 O LEU A1825 3.111 9.089 -42.401 1.00 0.00 O ATOM 841 CB LEU A1825 4.218 8.896 -39.399 1.00 0.00 C ATOM 842 CG LEU A1825 5.294 9.238 -38.349 1.00 0.00 C ATOM 843 CD1 LEU A1825 5.749 7.962 -37.648 1.00 0.00 C ATOM 844 CD2 LEU A1825 6.535 9.902 -38.953 1.00 0.00 C ATOM 0 H LEU A1825 3.122 10.913 -38.479 1.00 0.00 H new ATOM 0 HA LEU A1825 4.607 10.452 -40.863 1.00 0.00 H new ATOM 0 HB2 LEU A1825 3.346 8.496 -38.882 1.00 0.00 H new ATOM 0 HB3 LEU A1825 4.601 8.102 -40.040 1.00 0.00 H new ATOM 0 HG LEU A1825 4.832 9.941 -37.656 1.00 0.00 H new ATOM 0 HD11 LEU A1825 6.510 8.206 -36.906 1.00 0.00 H new ATOM 0 HD12 LEU A1825 4.897 7.495 -37.154 1.00 0.00 H new ATOM 0 HD13 LEU A1825 6.166 7.272 -38.382 1.00 0.00 H new ATOM 0 HD21 LEU A1825 7.254 10.117 -38.162 1.00 0.00 H new ATOM 0 HD22 LEU A1825 6.988 9.231 -39.682 1.00 0.00 H new ATOM 0 HD23 LEU A1825 6.247 10.831 -39.445 1.00 0.00 H new ATOM 856 N ARG A1826 1.440 9.760 -41.048 1.00 0.00 N ATOM 857 CA ARG A1826 0.286 9.524 -41.930 1.00 0.00 C ATOM 858 C ARG A1826 0.401 10.251 -43.280 1.00 0.00 C ATOM 859 O ARG A1826 0.619 11.463 -43.324 1.00 0.00 O ATOM 860 CB ARG A1826 -0.952 9.984 -41.139 1.00 0.00 C ATOM 861 CG ARG A1826 -2.309 10.017 -41.835 1.00 0.00 C ATOM 862 CD ARG A1826 -2.706 8.633 -42.352 1.00 0.00 C ATOM 863 NE ARG A1826 -4.143 8.520 -42.668 1.00 0.00 N ATOM 864 CZ ARG A1826 -5.158 8.358 -41.842 1.00 0.00 C ATOM 865 NH1 ARG A1826 -5.017 8.328 -40.543 1.00 0.00 N ATOM 866 NH2 ARG A1826 -6.350 8.202 -42.339 1.00 0.00 N ATOM 0 H ARG A1826 1.148 10.092 -40.129 1.00 0.00 H new ATOM 0 HA ARG A1826 0.224 8.469 -42.196 1.00 0.00 H new ATOM 0 HB2 ARG A1826 -1.045 9.335 -40.269 1.00 0.00 H new ATOM 0 HB3 ARG A1826 -0.749 10.988 -40.767 1.00 0.00 H new ATOM 0 HG2 ARG A1826 -3.067 10.379 -41.140 1.00 0.00 H new ATOM 0 HG3 ARG A1826 -2.276 10.722 -42.666 1.00 0.00 H new ATOM 0 HD2 ARG A1826 -2.125 8.406 -43.246 1.00 0.00 H new ATOM 0 HD3 ARG A1826 -2.445 7.884 -41.604 1.00 0.00 H new ATOM 0 HE ARG A1826 -4.383 8.574 -43.658 1.00 0.00 H new ATOM 0 HH11 ARG A1826 -4.091 8.432 -40.128 1.00 0.00 H new ATOM 0 HH12 ARG A1826 -5.833 8.200 -39.944 1.00 0.00 H new ATOM 0 HH21 ARG A1826 -6.486 8.207 -43.350 1.00 0.00 H new ATOM 0 HH22 ARG A1826 -7.149 8.075 -41.718 1.00 0.00 H new ATOM 880 N ILE A1827 0.140 9.523 -44.366 1.00 0.00 N ATOM 881 CA ILE A1827 -0.150 10.049 -45.711 1.00 0.00 C ATOM 882 C ILE A1827 -1.576 9.613 -46.082 1.00 0.00 C ATOM 883 O ILE A1827 -1.798 8.512 -46.592 1.00 0.00 O ATOM 884 CB ILE A1827 0.901 9.619 -46.770 1.00 0.00 C ATOM 885 CG1 ILE A1827 2.368 9.848 -46.321 1.00 0.00 C ATOM 886 CG2 ILE A1827 0.665 10.410 -48.068 1.00 0.00 C ATOM 887 CD1 ILE A1827 3.007 8.584 -45.733 1.00 0.00 C ATOM 0 H ILE A1827 0.123 8.504 -44.336 1.00 0.00 H new ATOM 0 HA ILE A1827 -0.086 11.137 -45.699 1.00 0.00 H new ATOM 0 HB ILE A1827 0.769 8.547 -46.916 1.00 0.00 H new ATOM 0 HG12 ILE A1827 2.957 10.186 -47.174 1.00 0.00 H new ATOM 0 HG13 ILE A1827 2.397 10.645 -45.578 1.00 0.00 H new ATOM 0 HG21 ILE A1827 1.401 10.112 -48.815 1.00 0.00 H new ATOM 0 HG22 ILE A1827 -0.337 10.203 -48.443 1.00 0.00 H new ATOM 0 HG23 ILE A1827 0.764 11.477 -47.867 1.00 0.00 H new ATOM 0 HD11 ILE A1827 4.033 8.800 -45.435 1.00 0.00 H new ATOM 0 HD12 ILE A1827 2.437 8.259 -44.862 1.00 0.00 H new ATOM 0 HD13 ILE A1827 3.006 7.793 -46.483 1.00 0.00 H new ATOM 899 N ALA A1828 -2.558 10.461 -45.762 1.00 0.00 N ATOM 900 CA ALA A1828 -3.980 10.172 -45.970 1.00 0.00 C ATOM 901 C ALA A1828 -4.343 9.992 -47.459 1.00 0.00 C ATOM 902 O ALA A1828 -3.779 10.659 -48.334 1.00 0.00 O ATOM 903 CB ALA A1828 -4.814 11.282 -45.315 1.00 0.00 C ATOM 0 H ALA A1828 -2.386 11.377 -45.347 1.00 0.00 H new ATOM 0 HA ALA A1828 -4.208 9.216 -45.498 1.00 0.00 H new ATOM 0 HB1 ALA A1828 -5.874 11.077 -45.464 1.00 0.00 H new ATOM 0 HB2 ALA A1828 -4.598 11.318 -44.247 1.00 0.00 H new ATOM 0 HB3 ALA A1828 -4.563 12.241 -45.768 1.00 0.00 H new ATOM 909 N LYS A1829 -5.297 9.102 -47.751 1.00 0.00 N ATOM 910 CA LYS A1829 -5.755 8.783 -49.115 1.00 0.00 C ATOM 911 C LYS A1829 -6.460 9.974 -49.812 1.00 0.00 C ATOM 912 O LYS A1829 -7.089 10.787 -49.125 1.00 0.00 O ATOM 913 CB LYS A1829 -6.700 7.573 -49.065 1.00 0.00 C ATOM 914 CG LYS A1829 -5.955 6.267 -48.764 1.00 0.00 C ATOM 915 CD LYS A1829 -6.952 5.166 -48.386 1.00 0.00 C ATOM 916 CE LYS A1829 -6.224 3.884 -47.975 1.00 0.00 C ATOM 917 NZ LYS A1829 -6.943 3.196 -46.872 1.00 0.00 N ATOM 0 H LYS A1829 -5.786 8.569 -47.032 1.00 0.00 H new ATOM 0 HA LYS A1829 -4.870 8.553 -49.708 1.00 0.00 H new ATOM 0 HB2 LYS A1829 -7.460 7.740 -48.302 1.00 0.00 H new ATOM 0 HB3 LYS A1829 -7.220 7.481 -50.018 1.00 0.00 H new ATOM 0 HG2 LYS A1829 -5.376 5.961 -49.635 1.00 0.00 H new ATOM 0 HG3 LYS A1829 -5.247 6.422 -47.950 1.00 0.00 H new ATOM 0 HD2 LYS A1829 -7.584 5.508 -47.566 1.00 0.00 H new ATOM 0 HD3 LYS A1829 -7.609 4.960 -49.231 1.00 0.00 H new ATOM 0 HE2 LYS A1829 -6.142 3.217 -48.833 1.00 0.00 H new ATOM 0 HE3 LYS A1829 -5.209 4.123 -47.659 1.00 0.00 H new ATOM 0 HZ1 LYS A1829 -6.543 2.246 -46.736 1.00 0.00 H new ATOM 0 HZ2 LYS A1829 -6.839 3.744 -45.995 1.00 0.00 H new ATOM 0 HZ3 LYS A1829 -7.952 3.115 -47.112 1.00 0.00 H new ATOM 931 N PRO A1830 -6.444 10.049 -51.159 1.00 0.00 N ATOM 932 CA PRO A1830 -5.649 9.226 -52.077 1.00 0.00 C ATOM 933 C PRO A1830 -4.149 9.578 -51.989 1.00 0.00 C ATOM 934 O PRO A1830 -3.768 10.748 -52.064 1.00 0.00 O ATOM 935 CB PRO A1830 -6.224 9.520 -53.464 1.00 0.00 C ATOM 936 CG PRO A1830 -6.752 10.949 -53.359 1.00 0.00 C ATOM 937 CD PRO A1830 -7.222 11.033 -51.905 1.00 0.00 C ATOM 0 HA PRO A1830 -5.708 8.165 -51.835 1.00 0.00 H new ATOM 0 HB2 PRO A1830 -5.461 9.434 -54.237 1.00 0.00 H new ATOM 0 HB3 PRO A1830 -7.019 8.820 -53.721 1.00 0.00 H new ATOM 0 HG2 PRO A1830 -5.976 11.683 -53.576 1.00 0.00 H new ATOM 0 HG3 PRO A1830 -7.568 11.131 -54.059 1.00 0.00 H new ATOM 0 HD2 PRO A1830 -7.066 12.035 -51.505 1.00 0.00 H new ATOM 0 HD3 PRO A1830 -8.289 10.822 -51.830 1.00 0.00 H new ATOM 945 N ASN A1831 -3.300 8.559 -51.810 1.00 0.00 N ATOM 946 CA ASN A1831 -1.857 8.705 -51.546 1.00 0.00 C ATOM 947 C ASN A1831 -0.940 8.033 -52.588 1.00 0.00 C ATOM 948 O ASN A1831 0.279 8.100 -52.440 1.00 0.00 O ATOM 949 CB ASN A1831 -1.553 8.237 -50.109 1.00 0.00 C ATOM 950 CG ASN A1831 -1.913 6.783 -49.814 1.00 0.00 C ATOM 951 OD1 ASN A1831 -2.065 5.952 -50.702 1.00 0.00 O ATOM 952 ND2 ASN A1831 -2.060 6.435 -48.558 1.00 0.00 N ATOM 0 H ASN A1831 -3.601 7.585 -51.845 1.00 0.00 H new ATOM 0 HA ASN A1831 -1.621 9.765 -51.644 1.00 0.00 H new ATOM 0 HB2 ASN A1831 -0.490 8.379 -49.914 1.00 0.00 H new ATOM 0 HB3 ASN A1831 -2.093 8.878 -49.412 1.00 0.00 H new ATOM 0 HD21 ASN A1831 -2.301 5.473 -48.320 1.00 0.00 H new ATOM 0 HD22 ASN A1831 -1.933 7.127 -47.819 1.00 0.00 H new ATOM 959 N GLN A1832 -1.474 7.413 -53.654 1.00 0.00 N ATOM 960 CA GLN A1832 -0.663 6.732 -54.678 1.00 0.00 C ATOM 961 C GLN A1832 0.370 7.668 -55.344 1.00 0.00 C ATOM 962 O GLN A1832 1.530 7.288 -55.509 1.00 0.00 O ATOM 963 CB GLN A1832 -1.578 6.017 -55.696 1.00 0.00 C ATOM 964 CG GLN A1832 -2.442 6.937 -56.575 1.00 0.00 C ATOM 965 CD GLN A1832 -3.459 6.153 -57.407 1.00 0.00 C ATOM 966 OE1 GLN A1832 -4.630 6.039 -57.066 1.00 0.00 O ATOM 967 NE2 GLN A1832 -3.059 5.587 -58.531 1.00 0.00 N ATOM 0 H GLN A1832 -2.478 7.370 -53.830 1.00 0.00 H new ATOM 0 HA GLN A1832 -0.065 5.969 -54.180 1.00 0.00 H new ATOM 0 HB2 GLN A1832 -0.956 5.402 -56.347 1.00 0.00 H new ATOM 0 HB3 GLN A1832 -2.237 5.340 -55.152 1.00 0.00 H new ATOM 0 HG2 GLN A1832 -2.967 7.653 -55.942 1.00 0.00 H new ATOM 0 HG3 GLN A1832 -1.797 7.512 -57.240 1.00 0.00 H new ATOM 0 HE21 GLN A1832 -2.087 5.673 -58.828 1.00 0.00 H new ATOM 0 HE22 GLN A1832 -3.722 5.063 -59.102 1.00 0.00 H new ATOM 976 N ILE A1833 -0.012 8.916 -55.649 1.00 0.00 N ATOM 977 CA ILE A1833 0.888 9.943 -56.213 1.00 0.00 C ATOM 978 C ILE A1833 1.921 10.385 -55.162 1.00 0.00 C ATOM 979 O ILE A1833 3.118 10.456 -55.443 1.00 0.00 O ATOM 980 CB ILE A1833 0.071 11.139 -56.755 1.00 0.00 C ATOM 981 CG1 ILE A1833 -0.869 10.687 -57.900 1.00 0.00 C ATOM 982 CG2 ILE A1833 1.007 12.253 -57.267 1.00 0.00 C ATOM 983 CD1 ILE A1833 -1.962 11.699 -58.251 1.00 0.00 C ATOM 0 H ILE A1833 -0.966 9.249 -55.511 1.00 0.00 H new ATOM 0 HA ILE A1833 1.435 9.514 -57.052 1.00 0.00 H new ATOM 0 HB ILE A1833 -0.531 11.530 -55.934 1.00 0.00 H new ATOM 0 HG12 ILE A1833 -0.271 10.492 -58.790 1.00 0.00 H new ATOM 0 HG13 ILE A1833 -1.339 9.745 -57.619 1.00 0.00 H new ATOM 0 HG21 ILE A1833 0.411 13.084 -57.644 1.00 0.00 H new ATOM 0 HG22 ILE A1833 1.640 12.601 -56.450 1.00 0.00 H new ATOM 0 HG23 ILE A1833 1.633 11.862 -58.069 1.00 0.00 H new ATOM 0 HD11 ILE A1833 -2.576 11.305 -59.061 1.00 0.00 H new ATOM 0 HD12 ILE A1833 -2.587 11.877 -57.376 1.00 0.00 H new ATOM 0 HD13 ILE A1833 -1.503 12.636 -58.566 1.00 0.00 H new ATOM 995 N SER A1834 1.469 10.636 -53.932 1.00 0.00 N ATOM 996 CA SER A1834 2.294 11.016 -52.781 1.00 0.00 C ATOM 997 C SER A1834 3.402 9.995 -52.495 1.00 0.00 C ATOM 998 O SER A1834 4.553 10.373 -52.277 1.00 0.00 O ATOM 999 CB SER A1834 1.396 11.197 -51.546 1.00 0.00 C ATOM 1000 OG SER A1834 0.370 12.141 -51.814 1.00 0.00 O ATOM 0 H SER A1834 0.477 10.578 -53.700 1.00 0.00 H new ATOM 0 HA SER A1834 2.789 11.957 -53.020 1.00 0.00 H new ATOM 0 HB2 SER A1834 0.955 10.240 -51.266 1.00 0.00 H new ATOM 0 HB3 SER A1834 1.995 11.532 -50.699 1.00 0.00 H new ATOM 0 HG SER A1834 -0.195 12.245 -51.020 1.00 0.00 H new ATOM 1006 N LEU A1835 3.080 8.698 -52.539 1.00 0.00 N ATOM 1007 CA LEU A1835 4.012 7.585 -52.338 1.00 0.00 C ATOM 1008 C LEU A1835 4.949 7.347 -53.539 1.00 0.00 C ATOM 1009 O LEU A1835 6.116 7.010 -53.339 1.00 0.00 O ATOM 1010 CB LEU A1835 3.206 6.322 -51.996 1.00 0.00 C ATOM 1011 CG LEU A1835 2.493 6.421 -50.634 1.00 0.00 C ATOM 1012 CD1 LEU A1835 1.510 5.272 -50.480 1.00 0.00 C ATOM 1013 CD2 LEU A1835 3.470 6.357 -49.458 1.00 0.00 C ATOM 0 H LEU A1835 2.127 8.383 -52.723 1.00 0.00 H new ATOM 0 HA LEU A1835 4.672 7.844 -51.510 1.00 0.00 H new ATOM 0 HB2 LEU A1835 2.466 6.146 -52.777 1.00 0.00 H new ATOM 0 HB3 LEU A1835 3.874 5.461 -51.990 1.00 0.00 H new ATOM 0 HG LEU A1835 1.985 7.385 -50.618 1.00 0.00 H new ATOM 0 HD11 LEU A1835 1.009 5.348 -49.515 1.00 0.00 H new ATOM 0 HD12 LEU A1835 0.769 5.318 -51.278 1.00 0.00 H new ATOM 0 HD13 LEU A1835 2.046 4.325 -50.537 1.00 0.00 H new ATOM 0 HD21 LEU A1835 2.917 6.431 -48.521 1.00 0.00 H new ATOM 0 HD22 LEU A1835 4.012 5.412 -49.486 1.00 0.00 H new ATOM 0 HD23 LEU A1835 4.178 7.183 -49.528 1.00 0.00 H new ATOM 1025 N ILE A1836 4.499 7.593 -54.774 1.00 0.00 N ATOM 1026 CA ILE A1836 5.377 7.644 -55.963 1.00 0.00 C ATOM 1027 C ILE A1836 6.414 8.780 -55.827 1.00 0.00 C ATOM 1028 O ILE A1836 7.555 8.639 -56.273 1.00 0.00 O ATOM 1029 CB ILE A1836 4.520 7.747 -57.251 1.00 0.00 C ATOM 1030 CG1 ILE A1836 3.883 6.368 -57.542 1.00 0.00 C ATOM 1031 CG2 ILE A1836 5.334 8.209 -58.476 1.00 0.00 C ATOM 1032 CD1 ILE A1836 2.745 6.418 -58.567 1.00 0.00 C ATOM 0 H ILE A1836 3.516 7.763 -54.985 1.00 0.00 H new ATOM 0 HA ILE A1836 5.949 6.719 -56.037 1.00 0.00 H new ATOM 0 HB ILE A1836 3.753 8.502 -57.077 1.00 0.00 H new ATOM 0 HG12 ILE A1836 4.656 5.690 -57.904 1.00 0.00 H new ATOM 0 HG13 ILE A1836 3.502 5.950 -56.610 1.00 0.00 H new ATOM 0 HG21 ILE A1836 4.681 8.262 -59.347 1.00 0.00 H new ATOM 0 HG22 ILE A1836 5.759 9.193 -58.280 1.00 0.00 H new ATOM 0 HG23 ILE A1836 6.138 7.498 -58.668 1.00 0.00 H new ATOM 0 HD11 ILE A1836 2.348 5.414 -58.719 1.00 0.00 H new ATOM 0 HD12 ILE A1836 1.952 7.070 -58.199 1.00 0.00 H new ATOM 0 HD13 ILE A1836 3.124 6.806 -59.513 1.00 0.00 H new ATOM 1044 N ASN A1837 6.045 9.889 -55.178 1.00 0.00 N ATOM 1045 CA ASN A1837 6.928 11.021 -54.868 1.00 0.00 C ATOM 1046 C ASN A1837 7.816 10.830 -53.613 1.00 0.00 C ATOM 1047 O ASN A1837 8.641 11.702 -53.325 1.00 0.00 O ATOM 1048 CB ASN A1837 6.077 12.306 -54.790 1.00 0.00 C ATOM 1049 CG ASN A1837 5.759 12.858 -56.174 1.00 0.00 C ATOM 1050 OD1 ASN A1837 6.458 13.713 -56.701 1.00 0.00 O ATOM 1051 ND2 ASN A1837 4.706 12.403 -56.811 1.00 0.00 N ATOM 0 H ASN A1837 5.092 10.029 -54.842 1.00 0.00 H new ATOM 0 HA ASN A1837 7.652 11.098 -55.679 1.00 0.00 H new ATOM 0 HB2 ASN A1837 5.148 12.095 -54.260 1.00 0.00 H new ATOM 0 HB3 ASN A1837 6.610 13.060 -54.211 1.00 0.00 H new ATOM 0 HD21 ASN A1837 4.476 12.762 -57.738 1.00 0.00 H new ATOM 0 HD22 ASN A1837 4.118 11.690 -56.380 1.00 0.00 H new ATOM 1058 N MET A1838 7.700 9.733 -52.855 1.00 0.00 N ATOM 1059 CA MET A1838 8.683 9.341 -51.834 1.00 0.00 C ATOM 1060 C MET A1838 9.952 8.730 -52.460 1.00 0.00 C ATOM 1061 O MET A1838 9.977 8.336 -53.628 1.00 0.00 O ATOM 1062 CB MET A1838 8.051 8.335 -50.854 1.00 0.00 C ATOM 1063 CG MET A1838 6.912 8.930 -50.026 1.00 0.00 C ATOM 1064 SD MET A1838 7.450 10.018 -48.677 1.00 0.00 S ATOM 1065 CE MET A1838 5.850 10.304 -47.880 1.00 0.00 C ATOM 0 H MET A1838 6.915 9.086 -52.933 1.00 0.00 H new ATOM 0 HA MET A1838 8.978 10.244 -51.299 1.00 0.00 H new ATOM 0 HB2 MET A1838 7.674 7.480 -51.415 1.00 0.00 H new ATOM 0 HB3 MET A1838 8.822 7.960 -50.181 1.00 0.00 H new ATOM 0 HG2 MET A1838 6.254 9.492 -50.688 1.00 0.00 H new ATOM 0 HG3 MET A1838 6.322 8.116 -49.606 1.00 0.00 H new ATOM 0 HE1 MET A1838 5.984 10.959 -47.019 1.00 0.00 H new ATOM 0 HE2 MET A1838 5.168 10.772 -48.590 1.00 0.00 H new ATOM 0 HE3 MET A1838 5.433 9.353 -47.550 1.00 0.00 H new ATOM 1075 N ASP A1839 11.012 8.604 -51.662 1.00 0.00 N ATOM 1076 CA ASP A1839 12.347 8.108 -52.061 1.00 0.00 C ATOM 1077 C ASP A1839 12.513 6.569 -51.941 1.00 0.00 C ATOM 1078 O ASP A1839 13.630 6.042 -51.900 1.00 0.00 O ATOM 1079 CB ASP A1839 13.396 8.873 -51.240 1.00 0.00 C ATOM 1080 CG ASP A1839 14.824 8.780 -51.814 1.00 0.00 C ATOM 1081 OD1 ASP A1839 14.993 8.902 -53.053 1.00 0.00 O ATOM 1082 OD2 ASP A1839 15.793 8.646 -51.025 1.00 0.00 O ATOM 0 H ASP A1839 10.971 8.854 -50.674 1.00 0.00 H new ATOM 0 HA ASP A1839 12.483 8.299 -53.126 1.00 0.00 H new ATOM 0 HB2 ASP A1839 13.105 9.922 -51.183 1.00 0.00 H new ATOM 0 HB3 ASP A1839 13.398 8.487 -50.221 1.00 0.00 H new ATOM 1087 N LEU A1840 11.394 5.835 -51.835 1.00 0.00 N ATOM 1088 CA LEU A1840 11.316 4.409 -51.489 1.00 0.00 C ATOM 1089 C LEU A1840 12.118 3.483 -52.445 1.00 0.00 C ATOM 1090 O LEU A1840 11.923 3.568 -53.663 1.00 0.00 O ATOM 1091 CB LEU A1840 9.843 3.956 -51.448 1.00 0.00 C ATOM 1092 CG LEU A1840 8.975 4.659 -50.391 1.00 0.00 C ATOM 1093 CD1 LEU A1840 7.520 4.227 -50.538 1.00 0.00 C ATOM 1094 CD2 LEU A1840 9.440 4.353 -48.971 1.00 0.00 C ATOM 0 H LEU A1840 10.473 6.242 -51.997 1.00 0.00 H new ATOM 0 HA LEU A1840 11.777 4.313 -50.506 1.00 0.00 H new ATOM 0 HB2 LEU A1840 9.400 4.123 -52.430 1.00 0.00 H new ATOM 0 HB3 LEU A1840 9.814 2.882 -51.264 1.00 0.00 H new ATOM 0 HG LEU A1840 9.072 5.732 -50.559 1.00 0.00 H new ATOM 0 HD11 LEU A1840 6.913 4.730 -49.785 1.00 0.00 H new ATOM 0 HD12 LEU A1840 7.160 4.494 -51.532 1.00 0.00 H new ATOM 0 HD13 LEU A1840 7.445 3.148 -50.402 1.00 0.00 H new ATOM 0 HD21 LEU A1840 8.798 4.871 -48.258 1.00 0.00 H new ATOM 0 HD22 LEU A1840 9.386 3.279 -48.794 1.00 0.00 H new ATOM 0 HD23 LEU A1840 10.469 4.691 -48.844 1.00 0.00 H new ATOM 1106 N PRO A1841 12.973 2.571 -51.924 1.00 0.00 N ATOM 1107 CA PRO A1841 13.603 1.500 -52.703 1.00 0.00 C ATOM 1108 C PRO A1841 12.634 0.327 -52.960 1.00 0.00 C ATOM 1109 O PRO A1841 11.498 0.331 -52.482 1.00 0.00 O ATOM 1110 CB PRO A1841 14.793 1.063 -51.835 1.00 0.00 C ATOM 1111 CG PRO A1841 14.244 1.203 -50.416 1.00 0.00 C ATOM 1112 CD PRO A1841 13.354 2.446 -50.521 1.00 0.00 C ATOM 0 HA PRO A1841 13.905 1.835 -53.695 1.00 0.00 H new ATOM 0 HB2 PRO A1841 15.098 0.039 -52.052 1.00 0.00 H new ATOM 0 HB3 PRO A1841 15.665 1.696 -51.996 1.00 0.00 H new ATOM 0 HG2 PRO A1841 13.677 0.323 -50.113 1.00 0.00 H new ATOM 0 HG3 PRO A1841 15.041 1.336 -49.685 1.00 0.00 H new ATOM 0 HD2 PRO A1841 12.472 2.345 -49.888 1.00 0.00 H new ATOM 0 HD3 PRO A1841 13.888 3.334 -50.184 1.00 0.00 H new ATOM 1120 N MET A1842 13.096 -0.712 -53.664 1.00 0.00 N ATOM 1121 CA MET A1842 12.473 -2.050 -53.693 1.00 0.00 C ATOM 1122 C MET A1842 13.556 -3.133 -53.551 1.00 0.00 C ATOM 1123 O MET A1842 14.495 -3.185 -54.348 1.00 0.00 O ATOM 1124 CB MET A1842 11.634 -2.253 -54.972 1.00 0.00 C ATOM 1125 CG MET A1842 10.354 -1.403 -54.946 1.00 0.00 C ATOM 1126 SD MET A1842 9.236 -1.655 -56.343 1.00 0.00 S ATOM 1127 CE MET A1842 7.884 -0.554 -55.830 1.00 0.00 C ATOM 0 H MET A1842 13.932 -0.650 -54.244 1.00 0.00 H new ATOM 0 HA MET A1842 11.788 -2.133 -52.849 1.00 0.00 H new ATOM 0 HB2 MET A1842 12.230 -1.988 -55.845 1.00 0.00 H new ATOM 0 HB3 MET A1842 11.371 -3.306 -55.073 1.00 0.00 H new ATOM 0 HG2 MET A1842 9.813 -1.618 -54.025 1.00 0.00 H new ATOM 0 HG3 MET A1842 10.636 -0.351 -54.912 1.00 0.00 H new ATOM 0 HE1 MET A1842 7.092 -0.578 -56.578 1.00 0.00 H new ATOM 0 HE2 MET A1842 7.488 -0.887 -54.871 1.00 0.00 H new ATOM 0 HE3 MET A1842 8.261 0.464 -55.733 1.00 0.00 H new ATOM 1137 N VAL A1843 13.459 -3.969 -52.509 1.00 0.00 N ATOM 1138 CA VAL A1843 14.539 -4.890 -52.073 1.00 0.00 C ATOM 1139 C VAL A1843 14.754 -6.100 -52.986 1.00 0.00 C ATOM 1140 O VAL A1843 15.795 -6.748 -52.911 1.00 0.00 O ATOM 1141 CB VAL A1843 14.334 -5.357 -50.616 1.00 0.00 C ATOM 1142 CG1 VAL A1843 14.172 -4.158 -49.664 1.00 0.00 C ATOM 1143 CG2 VAL A1843 13.141 -6.304 -50.419 1.00 0.00 C ATOM 0 H VAL A1843 12.621 -4.032 -51.932 1.00 0.00 H new ATOM 0 HA VAL A1843 15.448 -4.293 -52.141 1.00 0.00 H new ATOM 0 HB VAL A1843 15.238 -5.918 -50.378 1.00 0.00 H new ATOM 0 HG11 VAL A1843 14.029 -4.519 -48.645 1.00 0.00 H new ATOM 0 HG12 VAL A1843 15.066 -3.536 -49.707 1.00 0.00 H new ATOM 0 HG13 VAL A1843 13.306 -3.569 -49.965 1.00 0.00 H new ATOM 0 HG21 VAL A1843 13.068 -6.584 -49.368 1.00 0.00 H new ATOM 0 HG22 VAL A1843 12.223 -5.802 -50.725 1.00 0.00 H new ATOM 0 HG23 VAL A1843 13.284 -7.199 -51.024 1.00 0.00 H new ATOM 1153 N SER A1844 13.785 -6.398 -53.860 1.00 0.00 N ATOM 1154 CA SER A1844 13.833 -7.478 -54.867 1.00 0.00 C ATOM 1155 C SER A1844 13.113 -7.091 -56.173 1.00 0.00 C ATOM 1156 O SER A1844 13.614 -7.360 -57.267 1.00 0.00 O ATOM 1157 CB SER A1844 13.218 -8.747 -54.264 1.00 0.00 C ATOM 1158 OG SER A1844 13.409 -9.857 -55.126 1.00 0.00 O ATOM 0 H SER A1844 12.909 -5.876 -53.891 1.00 0.00 H new ATOM 0 HA SER A1844 14.876 -7.657 -55.130 1.00 0.00 H new ATOM 0 HB2 SER A1844 13.672 -8.951 -53.294 1.00 0.00 H new ATOM 0 HB3 SER A1844 12.153 -8.594 -54.091 1.00 0.00 H new ATOM 0 HG SER A1844 13.011 -10.657 -54.723 1.00 0.00 H new ATOM 1164 N GLY A1845 11.967 -6.406 -56.063 1.00 0.00 N ATOM 1165 CA GLY A1845 11.193 -5.859 -57.187 1.00 0.00 C ATOM 1166 C GLY A1845 9.746 -5.457 -56.862 1.00 0.00 C ATOM 1167 O GLY A1845 9.113 -4.762 -57.659 1.00 0.00 O ATOM 0 H GLY A1845 11.538 -6.210 -55.158 1.00 0.00 H new ATOM 0 HA2 GLY A1845 11.716 -4.984 -57.574 1.00 0.00 H new ATOM 0 HA3 GLY A1845 11.175 -6.599 -57.987 1.00 0.00 H new ATOM 1171 N ASP A1846 9.219 -5.864 -55.700 1.00 0.00 N ATOM 1172 CA ASP A1846 7.836 -5.588 -55.261 1.00 0.00 C ATOM 1173 C ASP A1846 7.639 -5.328 -53.752 1.00 0.00 C ATOM 1174 O ASP A1846 6.544 -4.912 -53.355 1.00 0.00 O ATOM 1175 CB ASP A1846 6.923 -6.736 -55.733 1.00 0.00 C ATOM 1176 CG ASP A1846 7.103 -8.054 -54.951 1.00 0.00 C ATOM 1177 OD1 ASP A1846 8.260 -8.480 -54.715 1.00 0.00 O ATOM 1178 OD2 ASP A1846 6.081 -8.690 -54.594 1.00 0.00 O ATOM 0 H ASP A1846 9.751 -6.407 -55.020 1.00 0.00 H new ATOM 0 HA ASP A1846 7.567 -4.639 -55.726 1.00 0.00 H new ATOM 0 HB2 ASP A1846 5.884 -6.416 -55.649 1.00 0.00 H new ATOM 0 HB3 ASP A1846 7.114 -6.925 -56.789 1.00 0.00 H new ATOM 1183 N ARG A1847 8.673 -5.518 -52.913 1.00 0.00 N ATOM 1184 CA ARG A1847 8.648 -5.289 -51.451 1.00 0.00 C ATOM 1185 C ARG A1847 9.681 -4.253 -50.995 1.00 0.00 C ATOM 1186 O ARG A1847 10.680 -4.020 -51.677 1.00 0.00 O ATOM 1187 CB ARG A1847 8.793 -6.617 -50.669 1.00 0.00 C ATOM 1188 CG ARG A1847 7.620 -7.582 -50.901 1.00 0.00 C ATOM 1189 CD ARG A1847 7.696 -8.867 -50.071 1.00 0.00 C ATOM 1190 NE ARG A1847 7.332 -8.667 -48.649 1.00 0.00 N ATOM 1191 CZ ARG A1847 6.874 -9.596 -47.816 1.00 0.00 C ATOM 1192 NH1 ARG A1847 6.700 -10.839 -48.158 1.00 0.00 N ATOM 1193 NH2 ARG A1847 6.555 -9.331 -46.590 1.00 0.00 N ATOM 0 H ARG A1847 9.581 -5.846 -53.242 1.00 0.00 H new ATOM 0 HA ARG A1847 7.669 -4.869 -51.220 1.00 0.00 H new ATOM 0 HB2 ARG A1847 9.722 -7.106 -50.963 1.00 0.00 H new ATOM 0 HB3 ARG A1847 8.871 -6.398 -49.604 1.00 0.00 H new ATOM 0 HG2 ARG A1847 6.688 -7.067 -50.669 1.00 0.00 H new ATOM 0 HG3 ARG A1847 7.584 -7.846 -51.958 1.00 0.00 H new ATOM 0 HD2 ARG A1847 7.032 -9.613 -50.507 1.00 0.00 H new ATOM 0 HD3 ARG A1847 8.708 -9.269 -50.127 1.00 0.00 H new ATOM 0 HE ARG A1847 7.444 -7.725 -48.273 1.00 0.00 H new ATOM 0 HH11 ARG A1847 6.918 -11.142 -49.107 1.00 0.00 H new ATOM 0 HH12 ARG A1847 6.345 -11.510 -47.477 1.00 0.00 H new ATOM 0 HH21 ARG A1847 6.652 -8.381 -46.232 1.00 0.00 H new ATOM 0 HH22 ARG A1847 6.207 -10.072 -45.982 1.00 0.00 H new ATOM 1207 N ILE A1848 9.432 -3.633 -49.840 1.00 0.00 N ATOM 1208 CA ILE A1848 10.125 -2.430 -49.336 1.00 0.00 C ATOM 1209 C ILE A1848 10.398 -2.556 -47.826 1.00 0.00 C ATOM 1210 O ILE A1848 9.533 -3.012 -47.073 1.00 0.00 O ATOM 1211 CB ILE A1848 9.306 -1.151 -49.652 1.00 0.00 C ATOM 1212 CG1 ILE A1848 8.833 -1.044 -51.121 1.00 0.00 C ATOM 1213 CG2 ILE A1848 10.149 0.101 -49.341 1.00 0.00 C ATOM 1214 CD1 ILE A1848 7.444 -1.648 -51.375 1.00 0.00 C ATOM 0 H ILE A1848 8.712 -3.964 -49.198 1.00 0.00 H new ATOM 0 HA ILE A1848 11.085 -2.346 -49.846 1.00 0.00 H new ATOM 0 HB ILE A1848 8.418 -1.217 -49.024 1.00 0.00 H new ATOM 0 HG12 ILE A1848 8.820 0.006 -51.412 1.00 0.00 H new ATOM 0 HG13 ILE A1848 9.558 -1.544 -51.763 1.00 0.00 H new ATOM 0 HG21 ILE A1848 9.568 0.996 -49.565 1.00 0.00 H new ATOM 0 HG22 ILE A1848 10.424 0.102 -48.286 1.00 0.00 H new ATOM 0 HG23 ILE A1848 11.052 0.092 -49.951 1.00 0.00 H new ATOM 0 HD11 ILE A1848 7.184 -1.534 -52.427 1.00 0.00 H new ATOM 0 HD12 ILE A1848 7.455 -2.707 -51.117 1.00 0.00 H new ATOM 0 HD13 ILE A1848 6.705 -1.133 -50.761 1.00 0.00 H new ATOM 1226 N HIS A1849 11.600 -2.180 -47.389 1.00 0.00 N ATOM 1227 CA HIS A1849 12.124 -2.307 -46.017 1.00 0.00 C ATOM 1228 C HIS A1849 11.571 -1.256 -45.034 1.00 0.00 C ATOM 1229 O HIS A1849 11.502 -0.069 -45.356 1.00 0.00 O ATOM 1230 CB HIS A1849 13.655 -2.233 -46.108 1.00 0.00 C ATOM 1231 CG HIS A1849 14.377 -2.333 -44.788 1.00 0.00 C ATOM 1232 ND1 HIS A1849 15.312 -1.430 -44.330 1.00 0.00 N ATOM 1233 CD2 HIS A1849 14.284 -3.342 -43.868 1.00 0.00 C ATOM 1234 CE1 HIS A1849 15.779 -1.890 -43.156 1.00 0.00 C ATOM 1235 NE2 HIS A1849 15.178 -3.048 -42.832 1.00 0.00 N ATOM 0 H HIS A1849 12.280 -1.752 -48.017 1.00 0.00 H new ATOM 0 HA HIS A1849 11.793 -3.261 -45.605 1.00 0.00 H new ATOM 0 HB2 HIS A1849 14.005 -3.035 -46.758 1.00 0.00 H new ATOM 0 HB3 HIS A1849 13.931 -1.293 -46.586 1.00 0.00 H new ATOM 0 HD1 HIS A1849 15.598 -0.569 -44.797 1.00 0.00 H new ATOM 0 HD2 HIS A1849 13.639 -4.206 -43.930 1.00 0.00 H new ATOM 0 HE1 HIS A1849 16.531 -1.398 -42.557 1.00 0.00 H new ATOM 1243 N CYS A1850 11.248 -1.692 -43.809 1.00 0.00 N ATOM 1244 CA CYS A1850 10.640 -0.880 -42.742 1.00 0.00 C ATOM 1245 C CYS A1850 11.382 0.438 -42.456 1.00 0.00 C ATOM 1246 O CYS A1850 10.770 1.510 -42.433 1.00 0.00 O ATOM 1247 CB CYS A1850 10.470 -1.739 -41.474 1.00 0.00 C ATOM 1248 SG CYS A1850 12.057 -2.249 -40.740 1.00 0.00 S ATOM 0 H CYS A1850 11.409 -2.657 -43.521 1.00 0.00 H new ATOM 0 HA CYS A1850 9.659 -0.564 -43.097 1.00 0.00 H new ATOM 0 HB2 CYS A1850 9.899 -1.177 -40.735 1.00 0.00 H new ATOM 0 HB3 CYS A1850 9.888 -2.627 -41.719 1.00 0.00 H new ATOM 0 HG CYS A1850 11.862 -3.257 -39.943 1.00 0.00 H new ATOM 1254 N MET A1851 12.703 0.383 -42.253 1.00 0.00 N ATOM 1255 CA MET A1851 13.510 1.552 -41.892 1.00 0.00 C ATOM 1256 C MET A1851 13.636 2.538 -43.059 1.00 0.00 C ATOM 1257 O MET A1851 13.589 3.744 -42.842 1.00 0.00 O ATOM 1258 CB MET A1851 14.881 1.099 -41.352 1.00 0.00 C ATOM 1259 CG MET A1851 15.589 2.196 -40.544 1.00 0.00 C ATOM 1260 SD MET A1851 16.446 3.480 -41.499 1.00 0.00 S ATOM 1261 CE MET A1851 16.242 4.882 -40.373 1.00 0.00 C ATOM 0 H MET A1851 13.244 -0.478 -42.335 1.00 0.00 H new ATOM 0 HA MET A1851 13.000 2.095 -41.096 1.00 0.00 H new ATOM 0 HB2 MET A1851 14.747 0.219 -40.723 1.00 0.00 H new ATOM 0 HB3 MET A1851 15.516 0.801 -42.187 1.00 0.00 H new ATOM 0 HG2 MET A1851 14.850 2.681 -39.907 1.00 0.00 H new ATOM 0 HG3 MET A1851 16.315 1.720 -39.885 1.00 0.00 H new ATOM 0 HE1 MET A1851 16.713 5.766 -40.803 1.00 0.00 H new ATOM 0 HE2 MET A1851 15.180 5.074 -40.220 1.00 0.00 H new ATOM 0 HE3 MET A1851 16.710 4.651 -39.416 1.00 0.00 H new ATOM 1271 N ASP A1852 13.718 2.060 -44.305 1.00 0.00 N ATOM 1272 CA ASP A1852 13.752 2.918 -45.497 1.00 0.00 C ATOM 1273 C ASP A1852 12.415 3.642 -45.737 1.00 0.00 C ATOM 1274 O ASP A1852 12.410 4.786 -46.196 1.00 0.00 O ATOM 1275 CB ASP A1852 14.167 2.100 -46.725 1.00 0.00 C ATOM 1276 CG ASP A1852 15.656 1.720 -46.664 1.00 0.00 C ATOM 1277 OD1 ASP A1852 15.993 0.682 -46.047 1.00 0.00 O ATOM 1278 OD2 ASP A1852 16.498 2.470 -47.217 1.00 0.00 O ATOM 0 H ASP A1852 13.763 1.063 -44.517 1.00 0.00 H new ATOM 0 HA ASP A1852 14.497 3.694 -45.322 1.00 0.00 H new ATOM 0 HB2 ASP A1852 13.561 1.196 -46.785 1.00 0.00 H new ATOM 0 HB3 ASP A1852 13.973 2.675 -47.631 1.00 0.00 H new ATOM 1283 N ILE A1853 11.288 3.024 -45.363 1.00 0.00 N ATOM 1284 CA ILE A1853 9.958 3.662 -45.337 1.00 0.00 C ATOM 1285 C ILE A1853 9.900 4.747 -44.251 1.00 0.00 C ATOM 1286 O ILE A1853 9.531 5.888 -44.546 1.00 0.00 O ATOM 1287 CB ILE A1853 8.845 2.603 -45.177 1.00 0.00 C ATOM 1288 CG1 ILE A1853 8.851 1.641 -46.385 1.00 0.00 C ATOM 1289 CG2 ILE A1853 7.455 3.260 -45.075 1.00 0.00 C ATOM 1290 CD1 ILE A1853 8.124 0.320 -46.119 1.00 0.00 C ATOM 0 H ILE A1853 11.270 2.049 -45.064 1.00 0.00 H new ATOM 0 HA ILE A1853 9.786 4.158 -46.292 1.00 0.00 H new ATOM 0 HB ILE A1853 9.044 2.054 -44.257 1.00 0.00 H new ATOM 0 HG12 ILE A1853 8.386 2.137 -47.237 1.00 0.00 H new ATOM 0 HG13 ILE A1853 9.883 1.429 -46.665 1.00 0.00 H new ATOM 0 HG21 ILE A1853 6.695 2.487 -44.963 1.00 0.00 H new ATOM 0 HG22 ILE A1853 7.428 3.923 -44.210 1.00 0.00 H new ATOM 0 HG23 ILE A1853 7.257 3.835 -45.979 1.00 0.00 H new ATOM 0 HD11 ILE A1853 8.168 -0.306 -47.010 1.00 0.00 H new ATOM 0 HD12 ILE A1853 8.603 -0.198 -45.288 1.00 0.00 H new ATOM 0 HD13 ILE A1853 7.082 0.522 -45.869 1.00 0.00 H new ATOM 1302 N LEU A1854 10.319 4.429 -43.019 1.00 0.00 N ATOM 1303 CA LEU A1854 10.438 5.396 -41.921 1.00 0.00 C ATOM 1304 C LEU A1854 11.315 6.602 -42.319 1.00 0.00 C ATOM 1305 O LEU A1854 10.889 7.742 -42.163 1.00 0.00 O ATOM 1306 CB LEU A1854 10.965 4.676 -40.665 1.00 0.00 C ATOM 1307 CG LEU A1854 11.088 5.584 -39.428 1.00 0.00 C ATOM 1308 CD1 LEU A1854 9.735 6.082 -38.919 1.00 0.00 C ATOM 1309 CD2 LEU A1854 11.769 4.816 -38.295 1.00 0.00 C ATOM 0 H LEU A1854 10.588 3.481 -42.754 1.00 0.00 H new ATOM 0 HA LEU A1854 9.453 5.805 -41.695 1.00 0.00 H new ATOM 0 HB2 LEU A1854 10.300 3.846 -40.429 1.00 0.00 H new ATOM 0 HB3 LEU A1854 11.942 4.248 -40.887 1.00 0.00 H new ATOM 0 HG LEU A1854 11.675 6.450 -39.734 1.00 0.00 H new ATOM 0 HD11 LEU A1854 9.886 6.717 -38.046 1.00 0.00 H new ATOM 0 HD12 LEU A1854 9.240 6.655 -39.703 1.00 0.00 H new ATOM 0 HD13 LEU A1854 9.113 5.230 -38.644 1.00 0.00 H new ATOM 0 HD21 LEU A1854 11.856 5.460 -37.420 1.00 0.00 H new ATOM 0 HD22 LEU A1854 11.175 3.938 -38.042 1.00 0.00 H new ATOM 0 HD23 LEU A1854 12.763 4.502 -38.614 1.00 0.00 H new ATOM 1321 N PHE A1855 12.504 6.352 -42.873 1.00 0.00 N ATOM 1322 CA PHE A1855 13.427 7.351 -43.417 1.00 0.00 C ATOM 1323 C PHE A1855 12.753 8.274 -44.443 1.00 0.00 C ATOM 1324 O PHE A1855 12.758 9.495 -44.270 1.00 0.00 O ATOM 1325 CB PHE A1855 14.643 6.606 -44.002 1.00 0.00 C ATOM 1326 CG PHE A1855 15.676 7.454 -44.718 1.00 0.00 C ATOM 1327 CD1 PHE A1855 16.709 8.068 -43.992 1.00 0.00 C ATOM 1328 CD2 PHE A1855 15.655 7.557 -46.124 1.00 0.00 C ATOM 1329 CE1 PHE A1855 17.730 8.760 -44.668 1.00 0.00 C ATOM 1330 CE2 PHE A1855 16.687 8.237 -46.801 1.00 0.00 C ATOM 1331 CZ PHE A1855 17.734 8.830 -46.071 1.00 0.00 C ATOM 0 H PHE A1855 12.866 5.402 -42.958 1.00 0.00 H new ATOM 0 HA PHE A1855 13.757 8.017 -42.619 1.00 0.00 H new ATOM 0 HB2 PHE A1855 15.141 6.075 -43.190 1.00 0.00 H new ATOM 0 HB3 PHE A1855 14.278 5.852 -44.699 1.00 0.00 H new ATOM 0 HD1 PHE A1855 16.720 8.009 -42.914 1.00 0.00 H new ATOM 0 HD2 PHE A1855 14.845 7.113 -46.684 1.00 0.00 H new ATOM 0 HE1 PHE A1855 18.516 9.241 -44.105 1.00 0.00 H new ATOM 0 HE2 PHE A1855 16.675 8.303 -47.879 1.00 0.00 H new ATOM 0 HZ PHE A1855 18.536 9.336 -46.587 1.00 0.00 H new ATOM 1341 N ALA A1856 12.137 7.714 -45.492 1.00 0.00 N ATOM 1342 CA ALA A1856 11.411 8.484 -46.509 1.00 0.00 C ATOM 1343 C ALA A1856 10.285 9.360 -45.908 1.00 0.00 C ATOM 1344 O ALA A1856 10.218 10.557 -46.194 1.00 0.00 O ATOM 1345 CB ALA A1856 10.865 7.518 -47.565 1.00 0.00 C ATOM 0 H ALA A1856 12.129 6.708 -45.660 1.00 0.00 H new ATOM 0 HA ALA A1856 12.108 9.182 -46.973 1.00 0.00 H new ATOM 0 HB1 ALA A1856 10.323 8.079 -48.326 1.00 0.00 H new ATOM 0 HB2 ALA A1856 11.692 6.981 -48.030 1.00 0.00 H new ATOM 0 HB3 ALA A1856 10.190 6.805 -47.091 1.00 0.00 H new ATOM 1351 N PHE A1857 9.434 8.788 -45.047 1.00 0.00 N ATOM 1352 CA PHE A1857 8.332 9.504 -44.383 1.00 0.00 C ATOM 1353 C PHE A1857 8.839 10.630 -43.463 1.00 0.00 C ATOM 1354 O PHE A1857 8.425 11.783 -43.600 1.00 0.00 O ATOM 1355 CB PHE A1857 7.455 8.513 -43.589 1.00 0.00 C ATOM 1356 CG PHE A1857 6.594 7.516 -44.359 1.00 0.00 C ATOM 1357 CD1 PHE A1857 6.672 7.355 -45.760 1.00 0.00 C ATOM 1358 CD2 PHE A1857 5.676 6.732 -43.632 1.00 0.00 C ATOM 1359 CE1 PHE A1857 5.856 6.414 -46.413 1.00 0.00 C ATOM 1360 CE2 PHE A1857 4.856 5.792 -44.284 1.00 0.00 C ATOM 1361 CZ PHE A1857 4.947 5.634 -45.676 1.00 0.00 C ATOM 0 H PHE A1857 9.490 7.803 -44.787 1.00 0.00 H new ATOM 0 HA PHE A1857 7.731 9.972 -45.163 1.00 0.00 H new ATOM 0 HB2 PHE A1857 8.112 7.944 -42.932 1.00 0.00 H new ATOM 0 HB3 PHE A1857 6.793 9.097 -42.950 1.00 0.00 H new ATOM 0 HD1 PHE A1857 7.362 7.957 -46.333 1.00 0.00 H new ATOM 0 HD2 PHE A1857 5.601 6.854 -42.562 1.00 0.00 H new ATOM 0 HE1 PHE A1857 5.928 6.290 -47.483 1.00 0.00 H new ATOM 0 HE2 PHE A1857 4.159 5.194 -43.715 1.00 0.00 H new ATOM 0 HZ PHE A1857 4.320 4.914 -46.180 1.00 0.00 H new ATOM 1371 N THR A1858 9.745 10.328 -42.529 1.00 0.00 N ATOM 1372 CA THR A1858 10.259 11.295 -41.535 1.00 0.00 C ATOM 1373 C THR A1858 11.052 12.443 -42.156 1.00 0.00 C ATOM 1374 O THR A1858 10.947 13.566 -41.661 1.00 0.00 O ATOM 1375 CB THR A1858 11.104 10.643 -40.431 1.00 0.00 C ATOM 1376 OG1 THR A1858 12.187 9.918 -40.965 1.00 0.00 O ATOM 1377 CG2 THR A1858 10.273 9.693 -39.568 1.00 0.00 C ATOM 0 H THR A1858 10.151 9.397 -42.434 1.00 0.00 H new ATOM 0 HA THR A1858 9.355 11.704 -41.084 1.00 0.00 H new ATOM 0 HB THR A1858 11.478 11.462 -39.817 1.00 0.00 H new ATOM 0 HG1 THR A1858 11.852 9.116 -41.418 1.00 0.00 H new ATOM 0 HG21 THR A1858 10.907 9.252 -38.799 1.00 0.00 H new ATOM 0 HG22 THR A1858 9.461 10.246 -39.096 1.00 0.00 H new ATOM 0 HG23 THR A1858 9.858 8.903 -40.193 1.00 0.00 H new ATOM 1385 N LYS A1859 11.775 12.242 -43.276 1.00 0.00 N ATOM 1386 CA LYS A1859 12.457 13.330 -44.008 1.00 0.00 C ATOM 1387 C LYS A1859 11.510 14.426 -44.510 1.00 0.00 C ATOM 1388 O LYS A1859 11.926 15.582 -44.579 1.00 0.00 O ATOM 1389 CB LYS A1859 13.294 12.763 -45.165 1.00 0.00 C ATOM 1390 CG LYS A1859 14.628 12.182 -44.675 1.00 0.00 C ATOM 1391 CD LYS A1859 15.466 11.570 -45.806 1.00 0.00 C ATOM 1392 CE LYS A1859 15.877 12.606 -46.862 1.00 0.00 C ATOM 1393 NZ LYS A1859 16.781 12.027 -47.887 1.00 0.00 N ATOM 0 H LYS A1859 11.903 11.323 -43.699 1.00 0.00 H new ATOM 0 HA LYS A1859 13.116 13.811 -43.286 1.00 0.00 H new ATOM 0 HB2 LYS A1859 12.726 11.986 -45.677 1.00 0.00 H new ATOM 0 HB3 LYS A1859 13.487 13.550 -45.894 1.00 0.00 H new ATOM 0 HG2 LYS A1859 15.204 12.969 -44.188 1.00 0.00 H new ATOM 0 HG3 LYS A1859 14.431 11.419 -43.922 1.00 0.00 H new ATOM 0 HD2 LYS A1859 16.361 11.112 -45.384 1.00 0.00 H new ATOM 0 HD3 LYS A1859 14.897 10.774 -46.286 1.00 0.00 H new ATOM 0 HE2 LYS A1859 14.985 13.002 -47.347 1.00 0.00 H new ATOM 0 HE3 LYS A1859 16.373 13.445 -46.373 1.00 0.00 H new ATOM 0 HZ1 LYS A1859 17.034 12.760 -48.580 1.00 0.00 H new ATOM 0 HZ2 LYS A1859 17.644 11.672 -47.428 1.00 0.00 H new ATOM 0 HZ3 LYS A1859 16.299 11.243 -48.372 1.00 0.00 H new ATOM 1407 N ARG A1860 10.237 14.111 -44.798 1.00 0.00 N ATOM 1408 CA ARG A1860 9.179 15.086 -45.139 1.00 0.00 C ATOM 1409 C ARG A1860 8.748 15.916 -43.930 1.00 0.00 C ATOM 1410 O ARG A1860 8.535 17.124 -44.061 1.00 0.00 O ATOM 1411 CB ARG A1860 7.958 14.381 -45.764 1.00 0.00 C ATOM 1412 CG ARG A1860 8.271 13.584 -47.048 1.00 0.00 C ATOM 1413 CD ARG A1860 8.561 14.494 -48.248 1.00 0.00 C ATOM 1414 NE ARG A1860 9.459 13.845 -49.221 1.00 0.00 N ATOM 1415 CZ ARG A1860 9.176 13.281 -50.376 1.00 0.00 C ATOM 1416 NH1 ARG A1860 7.958 13.151 -50.813 1.00 0.00 N ATOM 1417 NH2 ARG A1860 10.124 12.832 -51.142 1.00 0.00 N ATOM 0 H ARG A1860 9.903 13.147 -44.801 1.00 0.00 H new ATOM 0 HA ARG A1860 9.606 15.769 -45.873 1.00 0.00 H new ATOM 0 HB2 ARG A1860 7.528 13.704 -45.026 1.00 0.00 H new ATOM 0 HB3 ARG A1860 7.199 15.129 -45.991 1.00 0.00 H new ATOM 0 HG2 ARG A1860 9.131 12.938 -46.870 1.00 0.00 H new ATOM 0 HG3 ARG A1860 7.428 12.935 -47.284 1.00 0.00 H new ATOM 0 HD2 ARG A1860 7.624 14.759 -48.738 1.00 0.00 H new ATOM 0 HD3 ARG A1860 9.013 15.423 -47.899 1.00 0.00 H new ATOM 0 HE ARG A1860 10.445 13.831 -48.960 1.00 0.00 H new ATOM 0 HH11 ARG A1860 7.176 13.493 -50.254 1.00 0.00 H new ATOM 0 HH12 ARG A1860 7.784 12.707 -51.715 1.00 0.00 H new ATOM 0 HH21 ARG A1860 11.098 12.915 -50.850 1.00 0.00 H new ATOM 0 HH22 ARG A1860 9.895 12.396 -52.035 1.00 0.00 H new ATOM 1431 N VAL A1861 8.666 15.294 -42.751 1.00 0.00 N ATOM 1432 CA VAL A1861 8.369 15.944 -41.456 1.00 0.00 C ATOM 1433 C VAL A1861 9.530 16.856 -41.014 1.00 0.00 C ATOM 1434 O VAL A1861 9.313 18.013 -40.647 1.00 0.00 O ATOM 1435 CB VAL A1861 8.070 14.898 -40.350 1.00 0.00 C ATOM 1436 CG1 VAL A1861 7.543 15.574 -39.082 1.00 0.00 C ATOM 1437 CG2 VAL A1861 7.018 13.864 -40.787 1.00 0.00 C ATOM 0 H VAL A1861 8.808 14.288 -42.660 1.00 0.00 H new ATOM 0 HA VAL A1861 7.478 16.555 -41.601 1.00 0.00 H new ATOM 0 HB VAL A1861 9.018 14.395 -40.159 1.00 0.00 H new ATOM 0 HG11 VAL A1861 7.342 14.818 -38.323 1.00 0.00 H new ATOM 0 HG12 VAL A1861 8.289 16.275 -38.707 1.00 0.00 H new ATOM 0 HG13 VAL A1861 6.623 16.111 -39.312 1.00 0.00 H new ATOM 0 HG21 VAL A1861 6.846 13.156 -39.977 1.00 0.00 H new ATOM 0 HG22 VAL A1861 6.085 14.374 -41.028 1.00 0.00 H new ATOM 0 HG23 VAL A1861 7.377 13.329 -41.666 1.00 0.00 H new