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= 1.01 K(o=2,f=1.1) USER MOD Set 1.2: A1849 HIS : no HE2:sc= 1.08 K(o=2,f=-2.4!) USER MOD Set 1.3: A1850 CYS SG : rot -161:sc= -0.12 USER MOD Single : A1787 SER OG : rot 180:sc= 0 USER MOD Single : A1793 MET CE :methyl -118:sc= 0 (180deg=-0.113) USER MOD Single : A1795 TYR OH : rot 180:sc= 0 USER MOD Single : A1800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1806 THR OG1 : rot 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 USER MOD Single : A1822 SER OG : rot 180:sc= 0 USER MOD Single : A1829 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.24) USER MOD Single : A1831 ASN : amide:sc= 1.73 K(o=1.7,f=-3.5!) USER MOD Single : A1832 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1834 SER OG : rot 180:sc= 0 USER MOD Single : A1837 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A1838 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1842 MET CE :methyl -158:sc= 0 (180deg=-0.0135) USER MOD Single : A1844 SER OG : rot 124:sc= 0.578 USER MOD Single : A1851 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1858 THR OG1 : rot -74:sc= 0.989 USER MOD Single : A1859 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 226 N LEU A1786 9.688 15.326 -33.879 1.00 0.00 N ATOM 227 CA LEU A1786 9.443 13.887 -33.684 1.00 0.00 C ATOM 228 C LEU A1786 10.081 13.373 -32.380 1.00 0.00 C ATOM 229 O LEU A1786 11.023 13.975 -31.852 1.00 0.00 O ATOM 230 CB LEU A1786 10.012 13.119 -34.896 1.00 0.00 C ATOM 231 CG LEU A1786 9.289 13.389 -36.226 1.00 0.00 C ATOM 232 CD1 LEU A1786 10.129 12.841 -37.378 1.00 0.00 C ATOM 233 CD2 LEU A1786 7.911 12.730 -36.271 1.00 0.00 C ATOM 0 HA LEU A1786 8.369 13.722 -33.604 1.00 0.00 H new ATOM 0 HB2 LEU A1786 11.064 13.378 -35.011 1.00 0.00 H new ATOM 0 HB3 LEU A1786 9.968 12.051 -34.685 1.00 0.00 H new ATOM 0 HG LEU A1786 9.157 14.467 -36.317 1.00 0.00 H new ATOM 0 HD11 LEU A1786 9.619 13.031 -38.323 1.00 0.00 H new ATOM 0 HD12 LEU A1786 11.102 13.333 -37.385 1.00 0.00 H new ATOM 0 HD13 LEU A1786 10.267 11.767 -37.249 1.00 0.00 H new ATOM 0 HD21 LEU A1786 7.435 12.946 -37.228 1.00 0.00 H new ATOM 0 HD22 LEU A1786 8.019 11.652 -36.155 1.00 0.00 H new ATOM 0 HD23 LEU A1786 7.294 13.122 -35.462 1.00 0.00 H new ATOM 245 N SER A1787 9.593 12.236 -31.886 1.00 0.00 N ATOM 246 CA SER A1787 10.110 11.531 -30.700 1.00 0.00 C ATOM 247 C SER A1787 10.059 10.001 -30.844 1.00 0.00 C ATOM 248 O SER A1787 9.589 9.464 -31.850 1.00 0.00 O ATOM 249 CB SER A1787 9.334 11.985 -29.449 1.00 0.00 C ATOM 250 OG SER A1787 8.006 11.483 -29.442 1.00 0.00 O ATOM 0 H SER A1787 8.798 11.758 -32.311 1.00 0.00 H new ATOM 0 HA SER A1787 11.163 11.794 -30.597 1.00 0.00 H new ATOM 0 HB2 SER A1787 9.856 11.645 -28.554 1.00 0.00 H new ATOM 0 HB3 SER A1787 9.311 13.074 -29.411 1.00 0.00 H new ATOM 0 HG SER A1787 7.545 11.790 -28.634 1.00 0.00 H new ATOM 256 N GLU A1788 10.521 9.282 -29.815 1.00 0.00 N ATOM 257 CA GLU A1788 10.399 7.821 -29.706 1.00 0.00 C ATOM 258 C GLU A1788 8.940 7.326 -29.810 1.00 0.00 C ATOM 259 O GLU A1788 8.696 6.228 -30.310 1.00 0.00 O ATOM 260 CB GLU A1788 11.042 7.371 -28.378 1.00 0.00 C ATOM 261 CG GLU A1788 11.143 5.847 -28.235 1.00 0.00 C ATOM 262 CD GLU A1788 11.874 5.463 -26.935 1.00 0.00 C ATOM 263 OE1 GLU A1788 11.217 5.339 -25.869 1.00 0.00 O ATOM 264 OE2 GLU A1788 13.116 5.260 -26.964 1.00 0.00 O ATOM 0 H GLU A1788 10.999 9.705 -29.020 1.00 0.00 H new ATOM 0 HA GLU A1788 10.922 7.373 -30.551 1.00 0.00 H new ATOM 0 HB2 GLU A1788 12.040 7.802 -28.302 1.00 0.00 H new ATOM 0 HB3 GLU A1788 10.459 7.768 -27.547 1.00 0.00 H new ATOM 0 HG2 GLU A1788 10.144 5.411 -28.237 1.00 0.00 H new ATOM 0 HG3 GLU A1788 11.674 5.432 -29.092 1.00 0.00 H new ATOM 271 N ASP A1789 7.957 8.137 -29.403 1.00 0.00 N ATOM 272 CA ASP A1789 6.529 7.818 -29.503 1.00 0.00 C ATOM 273 C ASP A1789 6.042 7.676 -30.960 1.00 0.00 C ATOM 274 O ASP A1789 5.207 6.821 -31.251 1.00 0.00 O ATOM 275 CB ASP A1789 5.721 8.893 -28.767 1.00 0.00 C ATOM 276 CG ASP A1789 4.237 8.518 -28.646 1.00 0.00 C ATOM 277 OD1 ASP A1789 3.904 7.587 -27.874 1.00 0.00 O ATOM 278 OD2 ASP A1789 3.392 9.169 -29.303 1.00 0.00 O ATOM 0 H ASP A1789 8.136 9.051 -28.987 1.00 0.00 H new ATOM 0 HA ASP A1789 6.375 6.845 -29.037 1.00 0.00 H new ATOM 0 HB2 ASP A1789 6.139 9.042 -27.772 1.00 0.00 H new ATOM 0 HB3 ASP A1789 5.813 9.841 -29.297 1.00 0.00 H new ATOM 283 N ASP A1790 6.595 8.457 -31.898 1.00 0.00 N ATOM 284 CA ASP A1790 6.298 8.327 -33.332 1.00 0.00 C ATOM 285 C ASP A1790 6.862 7.021 -33.929 1.00 0.00 C ATOM 286 O ASP A1790 6.212 6.389 -34.769 1.00 0.00 O ATOM 287 CB ASP A1790 6.863 9.525 -34.106 1.00 0.00 C ATOM 288 CG ASP A1790 6.255 10.852 -33.627 1.00 0.00 C ATOM 289 OD1 ASP A1790 5.061 11.108 -33.910 1.00 0.00 O ATOM 290 OD2 ASP A1790 6.974 11.639 -32.969 1.00 0.00 O ATOM 0 H ASP A1790 7.262 9.198 -31.684 1.00 0.00 H new ATOM 0 HA ASP A1790 5.213 8.301 -33.429 1.00 0.00 H new ATOM 0 HB2 ASP A1790 7.946 9.557 -33.986 1.00 0.00 H new ATOM 0 HB3 ASP A1790 6.664 9.397 -35.170 1.00 0.00 H new ATOM 295 N PHE A1791 8.046 6.593 -33.479 1.00 0.00 N ATOM 296 CA PHE A1791 8.655 5.313 -33.851 1.00 0.00 C ATOM 297 C PHE A1791 7.879 4.128 -33.257 1.00 0.00 C ATOM 298 O PHE A1791 7.586 3.162 -33.957 1.00 0.00 O ATOM 299 CB PHE A1791 10.132 5.278 -33.421 1.00 0.00 C ATOM 300 CG PHE A1791 10.998 6.457 -33.844 1.00 0.00 C ATOM 301 CD1 PHE A1791 10.765 7.146 -35.053 1.00 0.00 C ATOM 302 CD2 PHE A1791 12.074 6.851 -33.022 1.00 0.00 C ATOM 303 CE1 PHE A1791 11.585 8.228 -35.428 1.00 0.00 C ATOM 304 CE2 PHE A1791 12.887 7.942 -33.388 1.00 0.00 C ATOM 305 CZ PHE A1791 12.650 8.623 -34.594 1.00 0.00 C ATOM 0 H PHE A1791 8.618 7.137 -32.834 1.00 0.00 H new ATOM 0 HA PHE A1791 8.609 5.220 -34.936 1.00 0.00 H new ATOM 0 HB2 PHE A1791 10.168 5.203 -32.334 1.00 0.00 H new ATOM 0 HB3 PHE A1791 10.580 4.367 -33.818 1.00 0.00 H new ATOM 0 HD1 PHE A1791 9.952 6.842 -35.695 1.00 0.00 H new ATOM 0 HD2 PHE A1791 12.276 6.314 -32.107 1.00 0.00 H new ATOM 0 HE1 PHE A1791 11.398 8.754 -36.353 1.00 0.00 H new ATOM 0 HE2 PHE A1791 13.693 8.255 -32.741 1.00 0.00 H new ATOM 0 HZ PHE A1791 13.284 9.449 -34.882 1.00 0.00 H new ATOM 315 N ASP A1792 7.479 4.213 -31.981 1.00 0.00 N ATOM 316 CA ASP A1792 6.622 3.233 -31.307 1.00 0.00 C ATOM 317 C ASP A1792 5.272 3.063 -32.029 1.00 0.00 C ATOM 318 O ASP A1792 4.857 1.932 -32.292 1.00 0.00 O ATOM 319 CB ASP A1792 6.438 3.644 -29.842 1.00 0.00 C ATOM 320 CG ASP A1792 5.673 2.571 -29.051 1.00 0.00 C ATOM 321 OD1 ASP A1792 6.275 1.528 -28.699 1.00 0.00 O ATOM 322 OD2 ASP A1792 4.469 2.771 -28.769 1.00 0.00 O ATOM 0 H ASP A1792 7.751 4.987 -31.374 1.00 0.00 H new ATOM 0 HA ASP A1792 7.108 2.258 -31.339 1.00 0.00 H new ATOM 0 HB2 ASP A1792 7.413 3.810 -29.384 1.00 0.00 H new ATOM 0 HB3 ASP A1792 5.897 4.589 -29.793 1.00 0.00 H new ATOM 327 N MET A1793 4.623 4.168 -32.427 1.00 0.00 N ATOM 328 CA MET A1793 3.433 4.167 -33.290 1.00 0.00 C ATOM 329 C MET A1793 3.696 3.438 -34.617 1.00 0.00 C ATOM 330 O MET A1793 2.950 2.518 -34.958 1.00 0.00 O ATOM 331 CB MET A1793 2.968 5.616 -33.531 1.00 0.00 C ATOM 332 CG MET A1793 1.727 5.693 -34.430 1.00 0.00 C ATOM 333 SD MET A1793 1.210 7.366 -34.899 1.00 0.00 S ATOM 334 CE MET A1793 2.570 7.855 -36.007 1.00 0.00 C ATOM 0 H MET A1793 4.917 5.105 -32.152 1.00 0.00 H new ATOM 0 HA MET A1793 2.638 3.620 -32.783 1.00 0.00 H new ATOM 0 HB2 MET A1793 2.749 6.088 -32.573 1.00 0.00 H new ATOM 0 HB3 MET A1793 3.779 6.183 -33.987 1.00 0.00 H new ATOM 0 HG2 MET A1793 1.921 5.123 -35.338 1.00 0.00 H new ATOM 0 HG3 MET A1793 0.898 5.205 -33.918 1.00 0.00 H new ATOM 0 HE1 MET A1793 3.086 8.720 -35.590 1.00 0.00 H new ATOM 0 HE2 MET A1793 3.272 7.028 -36.108 1.00 0.00 H new ATOM 0 HE3 MET A1793 2.167 8.111 -36.987 1.00 0.00 H new ATOM 344 N PHE A1794 4.747 3.818 -35.355 1.00 0.00 N ATOM 345 CA PHE A1794 5.124 3.187 -36.626 1.00 0.00 C ATOM 346 C PHE A1794 5.233 1.661 -36.501 1.00 0.00 C ATOM 347 O PHE A1794 4.521 0.940 -37.198 1.00 0.00 O ATOM 348 CB PHE A1794 6.413 3.813 -37.179 1.00 0.00 C ATOM 349 CG PHE A1794 6.816 3.305 -38.552 1.00 0.00 C ATOM 350 CD1 PHE A1794 7.536 2.100 -38.692 1.00 0.00 C ATOM 351 CD2 PHE A1794 6.482 4.047 -39.703 1.00 0.00 C ATOM 352 CE1 PHE A1794 7.899 1.633 -39.968 1.00 0.00 C ATOM 353 CE2 PHE A1794 6.873 3.596 -40.976 1.00 0.00 C ATOM 354 CZ PHE A1794 7.569 2.382 -41.108 1.00 0.00 C ATOM 0 H PHE A1794 5.367 4.581 -35.083 1.00 0.00 H new ATOM 0 HA PHE A1794 4.326 3.379 -37.343 1.00 0.00 H new ATOM 0 HB2 PHE A1794 6.286 4.894 -37.228 1.00 0.00 H new ATOM 0 HB3 PHE A1794 7.226 3.619 -36.480 1.00 0.00 H new ATOM 0 HD1 PHE A1794 7.810 1.533 -37.815 1.00 0.00 H new ATOM 0 HD2 PHE A1794 5.923 4.966 -39.607 1.00 0.00 H new ATOM 0 HE1 PHE A1794 8.431 0.699 -40.070 1.00 0.00 H new ATOM 0 HE2 PHE A1794 6.639 4.182 -41.852 1.00 0.00 H new ATOM 0 HZ PHE A1794 7.850 2.025 -42.088 1.00 0.00 H new ATOM 364 N TYR A1795 6.107 1.163 -35.616 1.00 0.00 N ATOM 365 CA TYR A1795 6.354 -0.274 -35.457 1.00 0.00 C ATOM 366 C TYR A1795 5.196 -1.058 -34.803 1.00 0.00 C ATOM 367 O TYR A1795 5.099 -2.267 -35.011 1.00 0.00 O ATOM 368 CB TYR A1795 7.687 -0.496 -34.727 1.00 0.00 C ATOM 369 CG TYR A1795 8.905 -0.075 -35.540 1.00 0.00 C ATOM 370 CD1 TYR A1795 9.218 -0.755 -36.735 1.00 0.00 C ATOM 371 CD2 TYR A1795 9.722 0.989 -35.111 1.00 0.00 C ATOM 372 CE1 TYR A1795 10.323 -0.352 -37.512 1.00 0.00 C ATOM 373 CE2 TYR A1795 10.832 1.390 -35.881 1.00 0.00 C ATOM 374 CZ TYR A1795 11.134 0.726 -37.090 1.00 0.00 C ATOM 375 OH TYR A1795 12.194 1.110 -37.855 1.00 0.00 O ATOM 0 H TYR A1795 6.662 1.747 -34.990 1.00 0.00 H new ATOM 0 HA TYR A1795 6.418 -0.690 -36.462 1.00 0.00 H new ATOM 0 HB2 TYR A1795 7.676 0.061 -33.790 1.00 0.00 H new ATOM 0 HB3 TYR A1795 7.779 -1.551 -34.470 1.00 0.00 H new ATOM 0 HD1 TYR A1795 8.609 -1.587 -37.056 1.00 0.00 H new ATOM 0 HD2 TYR A1795 9.497 1.500 -34.187 1.00 0.00 H new ATOM 0 HE1 TYR A1795 10.551 -0.869 -38.433 1.00 0.00 H new ATOM 0 HE2 TYR A1795 11.453 2.207 -35.546 1.00 0.00 H new ATOM 0 HH TYR A1795 12.649 1.865 -37.428 1.00 0.00 H new ATOM 385 N GLU A1796 4.279 -0.401 -34.078 1.00 0.00 N ATOM 386 CA GLU A1796 3.008 -0.998 -33.637 1.00 0.00 C ATOM 387 C GLU A1796 2.061 -1.244 -34.829 1.00 0.00 C ATOM 388 O GLU A1796 1.590 -2.370 -35.028 1.00 0.00 O ATOM 389 CB GLU A1796 2.344 -0.110 -32.566 1.00 0.00 C ATOM 390 CG GLU A1796 1.047 -0.721 -32.021 1.00 0.00 C ATOM 391 CD GLU A1796 0.461 0.125 -30.876 1.00 0.00 C ATOM 392 OE1 GLU A1796 -0.248 1.125 -31.150 1.00 0.00 O ATOM 393 OE2 GLU A1796 0.677 -0.219 -29.689 1.00 0.00 O ATOM 0 H GLU A1796 4.399 0.567 -33.779 1.00 0.00 H new ATOM 0 HA GLU A1796 3.222 -1.969 -33.191 1.00 0.00 H new ATOM 0 HB2 GLU A1796 3.042 0.046 -31.744 1.00 0.00 H new ATOM 0 HB3 GLU A1796 2.130 0.870 -32.993 1.00 0.00 H new ATOM 0 HG2 GLU A1796 0.316 -0.802 -32.825 1.00 0.00 H new ATOM 0 HG3 GLU A1796 1.242 -1.732 -31.664 1.00 0.00 H new ATOM 400 N ILE A1797 1.790 -0.214 -35.642 1.00 0.00 N ATOM 401 CA ILE A1797 0.924 -0.314 -36.835 1.00 0.00 C ATOM 402 C ILE A1797 1.531 -1.228 -37.918 1.00 0.00 C ATOM 403 O ILE A1797 0.794 -1.930 -38.611 1.00 0.00 O ATOM 404 CB ILE A1797 0.591 1.105 -37.369 1.00 0.00 C ATOM 405 CG1 ILE A1797 -0.119 1.993 -36.317 1.00 0.00 C ATOM 406 CG2 ILE A1797 -0.263 1.065 -38.648 1.00 0.00 C ATOM 407 CD1 ILE A1797 -1.492 1.503 -35.832 1.00 0.00 C ATOM 0 H ILE A1797 2.167 0.722 -35.493 1.00 0.00 H new ATOM 0 HA ILE A1797 -0.012 -0.790 -36.543 1.00 0.00 H new ATOM 0 HB ILE A1797 1.559 1.549 -37.601 1.00 0.00 H new ATOM 0 HG12 ILE A1797 0.536 2.089 -35.451 1.00 0.00 H new ATOM 0 HG13 ILE A1797 -0.240 2.991 -36.737 1.00 0.00 H new ATOM 0 HG21 ILE A1797 -0.468 2.083 -38.980 1.00 0.00 H new ATOM 0 HG22 ILE A1797 0.277 0.530 -39.429 1.00 0.00 H new ATOM 0 HG23 ILE A1797 -1.204 0.554 -38.442 1.00 0.00 H new ATOM 0 HD11 ILE A1797 -1.891 2.204 -35.099 1.00 0.00 H new ATOM 0 HD12 ILE A1797 -2.175 1.437 -36.679 1.00 0.00 H new ATOM 0 HD13 ILE A1797 -1.386 0.520 -35.373 1.00 0.00 H new ATOM 419 N TRP A1798 2.865 -1.289 -38.024 1.00 0.00 N ATOM 420 CA TRP A1798 3.612 -2.134 -38.968 1.00 0.00 C ATOM 421 C TRP A1798 3.207 -3.623 -38.919 1.00 0.00 C ATOM 422 O TRP A1798 3.030 -4.255 -39.962 1.00 0.00 O ATOM 423 CB TRP A1798 5.113 -1.978 -38.695 1.00 0.00 C ATOM 424 CG TRP A1798 6.013 -2.784 -39.578 1.00 0.00 C ATOM 425 CD1 TRP A1798 6.586 -3.965 -39.251 1.00 0.00 C ATOM 426 CD2 TRP A1798 6.413 -2.511 -40.954 1.00 0.00 C ATOM 427 NE1 TRP A1798 7.273 -4.464 -40.342 1.00 0.00 N ATOM 428 CE2 TRP A1798 7.177 -3.615 -41.425 1.00 0.00 C ATOM 429 CE3 TRP A1798 6.179 -1.456 -41.862 1.00 0.00 C ATOM 430 CZ2 TRP A1798 7.658 -3.684 -42.737 1.00 0.00 C ATOM 431 CZ3 TRP A1798 6.686 -1.501 -43.173 1.00 0.00 C ATOM 432 CH2 TRP A1798 7.432 -2.607 -43.612 1.00 0.00 C ATOM 0 H TRP A1798 3.478 -0.729 -37.432 1.00 0.00 H new ATOM 0 HA TRP A1798 3.366 -1.794 -39.974 1.00 0.00 H new ATOM 0 HB2 TRP A1798 5.377 -0.926 -38.800 1.00 0.00 H new ATOM 0 HB3 TRP A1798 5.307 -2.254 -37.658 1.00 0.00 H new ATOM 0 HD1 TRP A1798 6.517 -4.444 -38.286 1.00 0.00 H new ATOM 0 HE1 TRP A1798 7.785 -5.346 -40.346 1.00 0.00 H new ATOM 0 HE3 TRP A1798 5.601 -0.600 -41.545 1.00 0.00 H new ATOM 0 HZ2 TRP A1798 8.198 -4.556 -43.074 1.00 0.00 H new ATOM 0 HZ3 TRP A1798 6.500 -0.678 -43.848 1.00 0.00 H new ATOM 0 HH2 TRP A1798 7.830 -2.630 -44.616 1.00 0.00 H new ATOM 443 N GLU A1799 2.994 -4.182 -37.724 1.00 0.00 N ATOM 444 CA GLU A1799 2.631 -5.598 -37.529 1.00 0.00 C ATOM 445 C GLU A1799 1.291 -5.997 -38.176 1.00 0.00 C ATOM 446 O GLU A1799 1.070 -7.177 -38.450 1.00 0.00 O ATOM 447 CB GLU A1799 2.600 -5.945 -36.031 1.00 0.00 C ATOM 448 CG GLU A1799 3.976 -5.831 -35.368 1.00 0.00 C ATOM 449 CD GLU A1799 3.928 -6.331 -33.911 1.00 0.00 C ATOM 450 OE1 GLU A1799 3.571 -5.549 -32.995 1.00 0.00 O ATOM 451 OE2 GLU A1799 4.242 -7.523 -33.668 1.00 0.00 O ATOM 0 H GLU A1799 3.069 -3.661 -36.850 1.00 0.00 H new ATOM 0 HA GLU A1799 3.407 -6.171 -38.037 1.00 0.00 H new ATOM 0 HB2 GLU A1799 1.901 -5.281 -35.523 1.00 0.00 H new ATOM 0 HB3 GLU A1799 2.224 -6.960 -35.905 1.00 0.00 H new ATOM 0 HG2 GLU A1799 4.705 -6.412 -35.932 1.00 0.00 H new ATOM 0 HG3 GLU A1799 4.310 -4.794 -35.390 1.00 0.00 H new ATOM 458 N LYS A1800 0.405 -5.034 -38.469 1.00 0.00 N ATOM 459 CA LYS A1800 -0.862 -5.248 -39.192 1.00 0.00 C ATOM 460 C LYS A1800 -0.654 -5.580 -40.681 1.00 0.00 C ATOM 461 O LYS A1800 -1.533 -6.177 -41.303 1.00 0.00 O ATOM 462 CB LYS A1800 -1.766 -4.011 -39.054 1.00 0.00 C ATOM 463 CG LYS A1800 -2.052 -3.640 -37.585 1.00 0.00 C ATOM 464 CD LYS A1800 -3.087 -2.511 -37.488 1.00 0.00 C ATOM 465 CE LYS A1800 -3.328 -2.151 -36.018 1.00 0.00 C ATOM 466 NZ LYS A1800 -4.408 -1.141 -35.865 1.00 0.00 N ATOM 0 H LYS A1800 0.551 -4.060 -38.204 1.00 0.00 H new ATOM 0 HA LYS A1800 -1.342 -6.114 -38.735 1.00 0.00 H new ATOM 0 HB2 LYS A1800 -1.294 -3.164 -39.552 1.00 0.00 H new ATOM 0 HB3 LYS A1800 -2.709 -4.197 -39.567 1.00 0.00 H new ATOM 0 HG2 LYS A1800 -2.416 -4.517 -37.050 1.00 0.00 H new ATOM 0 HG3 LYS A1800 -1.127 -3.331 -37.099 1.00 0.00 H new ATOM 0 HD2 LYS A1800 -2.735 -1.635 -38.033 1.00 0.00 H new ATOM 0 HD3 LYS A1800 -4.022 -2.822 -37.954 1.00 0.00 H new ATOM 0 HE2 LYS A1800 -3.591 -3.051 -35.462 1.00 0.00 H new ATOM 0 HE3 LYS A1800 -2.406 -1.766 -35.583 1.00 0.00 H new ATOM 0 HZ1 LYS A1800 -4.540 -0.924 -34.856 1.00 0.00 H new ATOM 0 HZ2 LYS A1800 -4.146 -0.273 -36.374 1.00 0.00 H new ATOM 0 HZ3 LYS A1800 -5.294 -1.518 -36.257 1.00 0.00 H new ATOM 480 N PHE A1801 0.516 -5.235 -41.230 1.00 0.00 N ATOM 481 CA PHE A1801 0.913 -5.419 -42.631 1.00 0.00 C ATOM 482 C PHE A1801 2.097 -6.384 -42.808 1.00 0.00 C ATOM 483 O PHE A1801 2.236 -7.002 -43.866 1.00 0.00 O ATOM 484 CB PHE A1801 1.223 -4.046 -43.243 1.00 0.00 C ATOM 485 CG PHE A1801 0.051 -3.090 -43.145 1.00 0.00 C ATOM 486 CD1 PHE A1801 -0.949 -3.101 -44.132 1.00 0.00 C ATOM 487 CD2 PHE A1801 -0.082 -2.247 -42.022 1.00 0.00 C ATOM 488 CE1 PHE A1801 -2.089 -2.293 -43.988 1.00 0.00 C ATOM 489 CE2 PHE A1801 -1.226 -1.444 -41.873 1.00 0.00 C ATOM 490 CZ PHE A1801 -2.232 -1.475 -42.855 1.00 0.00 C ATOM 0 H PHE A1801 1.253 -4.795 -40.678 1.00 0.00 H new ATOM 0 HA PHE A1801 0.079 -5.886 -43.155 1.00 0.00 H new ATOM 0 HB2 PHE A1801 2.085 -3.612 -42.737 1.00 0.00 H new ATOM 0 HB3 PHE A1801 1.499 -4.172 -44.290 1.00 0.00 H new ATOM 0 HD1 PHE A1801 -0.841 -3.731 -45.002 1.00 0.00 H new ATOM 0 HD2 PHE A1801 0.697 -2.218 -41.275 1.00 0.00 H new ATOM 0 HE1 PHE A1801 -2.856 -2.301 -44.749 1.00 0.00 H new ATOM 0 HE2 PHE A1801 -1.332 -0.806 -41.008 1.00 0.00 H new ATOM 0 HZ PHE A1801 -3.117 -0.868 -42.738 1.00 0.00 H new ATOM 500 N ASP A1802 2.896 -6.584 -41.755 1.00 0.00 N ATOM 501 CA ASP A1802 3.977 -7.569 -41.648 1.00 0.00 C ATOM 502 C ASP A1802 3.769 -8.499 -40.431 1.00 0.00 C ATOM 503 O ASP A1802 4.514 -8.419 -39.445 1.00 0.00 O ATOM 504 CB ASP A1802 5.322 -6.829 -41.620 1.00 0.00 C ATOM 505 CG ASP A1802 6.548 -7.749 -41.543 1.00 0.00 C ATOM 506 OD1 ASP A1802 6.451 -8.935 -41.933 1.00 0.00 O ATOM 507 OD2 ASP A1802 7.613 -7.271 -41.078 1.00 0.00 O ATOM 0 H ASP A1802 2.800 -6.030 -40.904 1.00 0.00 H new ATOM 0 HA ASP A1802 3.972 -8.225 -42.519 1.00 0.00 H new ATOM 0 HB2 ASP A1802 5.402 -6.211 -42.514 1.00 0.00 H new ATOM 0 HB3 ASP A1802 5.334 -6.154 -40.764 1.00 0.00 H new ATOM 512 N PRO A1803 2.765 -9.401 -40.466 1.00 0.00 N ATOM 513 CA PRO A1803 2.523 -10.372 -39.393 1.00 0.00 C ATOM 514 C PRO A1803 3.587 -11.489 -39.343 1.00 0.00 C ATOM 515 O PRO A1803 3.767 -12.139 -38.312 1.00 0.00 O ATOM 516 CB PRO A1803 1.127 -10.935 -39.676 1.00 0.00 C ATOM 517 CG PRO A1803 1.003 -10.836 -41.194 1.00 0.00 C ATOM 518 CD PRO A1803 1.762 -9.548 -41.511 1.00 0.00 C ATOM 0 HA PRO A1803 2.586 -9.896 -38.414 1.00 0.00 H new ATOM 0 HB2 PRO A1803 1.032 -11.965 -39.332 1.00 0.00 H new ATOM 0 HB3 PRO A1803 0.352 -10.358 -39.172 1.00 0.00 H new ATOM 0 HG2 PRO A1803 1.444 -11.699 -41.693 1.00 0.00 H new ATOM 0 HG3 PRO A1803 -0.038 -10.781 -41.512 1.00 0.00 H new ATOM 0 HD2 PRO A1803 2.229 -9.603 -42.494 1.00 0.00 H new ATOM 0 HD3 PRO A1803 1.087 -8.692 -41.526 1.00 0.00 H new ATOM 526 N GLU A1804 4.324 -11.692 -40.442 1.00 0.00 N ATOM 527 CA GLU A1804 5.476 -12.601 -40.536 1.00 0.00 C ATOM 528 C GLU A1804 6.773 -12.017 -39.922 1.00 0.00 C ATOM 529 O GLU A1804 7.765 -12.736 -39.774 1.00 0.00 O ATOM 530 CB GLU A1804 5.710 -12.981 -42.014 1.00 0.00 C ATOM 531 CG GLU A1804 4.530 -13.753 -42.616 1.00 0.00 C ATOM 532 CD GLU A1804 4.814 -14.150 -44.080 1.00 0.00 C ATOM 533 OE1 GLU A1804 5.417 -15.228 -44.323 1.00 0.00 O ATOM 534 OE2 GLU A1804 4.430 -13.399 -45.011 1.00 0.00 O ATOM 0 H GLU A1804 4.129 -11.212 -41.321 1.00 0.00 H new ATOM 0 HA GLU A1804 5.233 -13.486 -39.948 1.00 0.00 H new ATOM 0 HB2 GLU A1804 5.882 -12.075 -42.596 1.00 0.00 H new ATOM 0 HB3 GLU A1804 6.613 -13.586 -42.092 1.00 0.00 H new ATOM 0 HG2 GLU A1804 4.337 -14.648 -42.024 1.00 0.00 H new ATOM 0 HG3 GLU A1804 3.630 -13.140 -42.570 1.00 0.00 H new ATOM 541 N ALA A1805 6.757 -10.736 -39.531 1.00 0.00 N ATOM 542 CA ALA A1805 7.863 -9.959 -38.957 1.00 0.00 C ATOM 543 C ALA A1805 9.172 -9.952 -39.787 1.00 0.00 C ATOM 544 O ALA A1805 10.256 -9.737 -39.235 1.00 0.00 O ATOM 545 CB ALA A1805 8.054 -10.379 -37.489 1.00 0.00 C ATOM 0 H ALA A1805 5.909 -10.175 -39.614 1.00 0.00 H new ATOM 0 HA ALA A1805 7.579 -8.907 -38.993 1.00 0.00 H new ATOM 0 HB1 ALA A1805 8.873 -9.809 -37.051 1.00 0.00 H new ATOM 0 HB2 ALA A1805 7.137 -10.183 -36.932 1.00 0.00 H new ATOM 0 HB3 ALA A1805 8.287 -11.443 -37.442 1.00 0.00 H new ATOM 551 N THR A1806 9.102 -10.174 -41.105 1.00 0.00 N ATOM 552 CA THR A1806 10.269 -10.235 -42.011 1.00 0.00 C ATOM 553 C THR A1806 10.958 -8.882 -42.229 1.00 0.00 C ATOM 554 O THR A1806 12.070 -8.857 -42.761 1.00 0.00 O ATOM 555 CB THR A1806 9.916 -10.827 -43.385 1.00 0.00 C ATOM 556 OG1 THR A1806 8.972 -10.019 -44.054 1.00 0.00 O ATOM 557 CG2 THR A1806 9.342 -12.239 -43.279 1.00 0.00 C ATOM 0 H THR A1806 8.215 -10.320 -41.588 1.00 0.00 H new ATOM 0 HA THR A1806 10.966 -10.894 -41.493 1.00 0.00 H new ATOM 0 HB THR A1806 10.850 -10.865 -43.946 1.00 0.00 H new ATOM 0 HG1 THR A1806 8.763 -10.414 -44.926 1.00 0.00 H new ATOM 0 HG21 THR A1806 9.109 -12.613 -44.276 1.00 0.00 H new ATOM 0 HG22 THR A1806 10.074 -12.895 -42.808 1.00 0.00 H new ATOM 0 HG23 THR A1806 8.433 -12.218 -42.678 1.00 0.00 H new ATOM 565 N GLN A1807 10.343 -7.771 -41.797 1.00 0.00 N ATOM 566 CA GLN A1807 10.778 -6.376 -41.933 1.00 0.00 C ATOM 567 C GLN A1807 10.551 -5.789 -43.340 1.00 0.00 C ATOM 568 O GLN A1807 11.064 -4.709 -43.647 1.00 0.00 O ATOM 569 CB GLN A1807 12.214 -6.139 -41.400 1.00 0.00 C ATOM 570 CG GLN A1807 12.471 -6.683 -39.983 1.00 0.00 C ATOM 571 CD GLN A1807 11.478 -6.151 -38.952 1.00 0.00 C ATOM 572 OE1 GLN A1807 11.417 -4.959 -38.660 1.00 0.00 O ATOM 573 NE2 GLN A1807 10.666 -6.993 -38.343 1.00 0.00 N ATOM 0 H GLN A1807 9.453 -7.833 -41.302 1.00 0.00 H new ATOM 0 HA GLN A1807 10.117 -5.805 -41.281 1.00 0.00 H new ATOM 0 HB2 GLN A1807 12.923 -6.602 -42.086 1.00 0.00 H new ATOM 0 HB3 GLN A1807 12.417 -5.068 -41.406 1.00 0.00 H new ATOM 0 HG2 GLN A1807 12.418 -7.772 -40.002 1.00 0.00 H new ATOM 0 HG3 GLN A1807 13.483 -6.418 -39.676 1.00 0.00 H new ATOM 0 HE21 GLN A1807 10.699 -7.987 -38.569 1.00 0.00 H new ATOM 0 HE22 GLN A1807 10.005 -6.650 -37.646 1.00 0.00 H new ATOM 582 N PHE A1808 9.741 -6.442 -44.186 1.00 0.00 N ATOM 583 CA PHE A1808 9.327 -5.943 -45.507 1.00 0.00 C ATOM 584 C PHE A1808 7.802 -6.030 -45.719 1.00 0.00 C ATOM 585 O PHE A1808 7.141 -6.895 -45.144 1.00 0.00 O ATOM 586 CB PHE A1808 10.054 -6.734 -46.615 1.00 0.00 C ATOM 587 CG PHE A1808 11.542 -6.970 -46.397 1.00 0.00 C ATOM 588 CD1 PHE A1808 12.474 -5.950 -46.665 1.00 0.00 C ATOM 589 CD2 PHE A1808 11.992 -8.216 -45.924 1.00 0.00 C ATOM 590 CE1 PHE A1808 13.845 -6.155 -46.417 1.00 0.00 C ATOM 591 CE2 PHE A1808 13.365 -8.428 -45.693 1.00 0.00 C ATOM 592 CZ PHE A1808 14.289 -7.394 -45.928 1.00 0.00 C ATOM 0 H PHE A1808 9.345 -7.356 -43.965 1.00 0.00 H new ATOM 0 HA PHE A1808 9.601 -4.889 -45.556 1.00 0.00 H new ATOM 0 HB2 PHE A1808 9.565 -7.702 -46.724 1.00 0.00 H new ATOM 0 HB3 PHE A1808 9.924 -6.203 -47.558 1.00 0.00 H new ATOM 0 HD1 PHE A1808 12.136 -5.005 -47.063 1.00 0.00 H new ATOM 0 HD2 PHE A1808 11.284 -9.010 -45.738 1.00 0.00 H new ATOM 0 HE1 PHE A1808 14.553 -5.361 -46.603 1.00 0.00 H new ATOM 0 HE2 PHE A1808 13.709 -9.387 -45.335 1.00 0.00 H new ATOM 0 HZ PHE A1808 15.339 -7.553 -45.732 1.00 0.00 H new ATOM 602 N ILE A1809 7.250 -5.184 -46.598 1.00 0.00 N ATOM 603 CA ILE A1809 5.875 -5.280 -47.144 1.00 0.00 C ATOM 604 C ILE A1809 5.857 -5.003 -48.650 1.00 0.00 C ATOM 605 O ILE A1809 6.797 -4.406 -49.174 1.00 0.00 O ATOM 606 CB ILE A1809 4.872 -4.346 -46.420 1.00 0.00 C ATOM 607 CG1 ILE A1809 5.211 -2.846 -46.596 1.00 0.00 C ATOM 608 CG2 ILE A1809 4.728 -4.761 -44.949 1.00 0.00 C ATOM 609 CD1 ILE A1809 4.226 -1.901 -45.891 1.00 0.00 C ATOM 0 H ILE A1809 7.761 -4.382 -46.967 1.00 0.00 H new ATOM 0 HA ILE A1809 5.550 -6.305 -46.965 1.00 0.00 H new ATOM 0 HB ILE A1809 3.899 -4.467 -46.896 1.00 0.00 H new ATOM 0 HG12 ILE A1809 6.214 -2.662 -46.212 1.00 0.00 H new ATOM 0 HG13 ILE A1809 5.229 -2.609 -47.660 1.00 0.00 H new ATOM 0 HG21 ILE A1809 4.021 -4.097 -44.451 1.00 0.00 H new ATOM 0 HG22 ILE A1809 4.363 -5.787 -44.894 1.00 0.00 H new ATOM 0 HG23 ILE A1809 5.698 -4.694 -44.455 1.00 0.00 H new ATOM 0 HD11 ILE A1809 4.529 -0.868 -46.060 1.00 0.00 H new ATOM 0 HD12 ILE A1809 3.224 -2.055 -46.291 1.00 0.00 H new ATOM 0 HD13 ILE A1809 4.225 -2.109 -44.821 1.00 0.00 H new ATOM 621 N GLU A1810 4.805 -5.414 -49.357 1.00 0.00 N ATOM 622 CA GLU A1810 4.595 -5.105 -50.780 1.00 0.00 C ATOM 623 C GLU A1810 4.133 -3.651 -50.993 1.00 0.00 C ATOM 624 O GLU A1810 3.395 -3.086 -50.182 1.00 0.00 O ATOM 625 CB GLU A1810 3.564 -6.066 -51.396 1.00 0.00 C ATOM 626 CG GLU A1810 4.076 -7.512 -51.482 1.00 0.00 C ATOM 627 CD GLU A1810 3.004 -8.439 -52.083 1.00 0.00 C ATOM 628 OE1 GLU A1810 2.967 -8.607 -53.329 1.00 0.00 O ATOM 629 OE2 GLU A1810 2.189 -9.018 -51.317 1.00 0.00 O ATOM 0 H GLU A1810 4.059 -5.981 -48.954 1.00 0.00 H new ATOM 0 HA GLU A1810 5.556 -5.232 -51.278 1.00 0.00 H new ATOM 0 HB2 GLU A1810 2.651 -6.043 -50.800 1.00 0.00 H new ATOM 0 HB3 GLU A1810 3.301 -5.718 -52.395 1.00 0.00 H new ATOM 0 HG2 GLU A1810 4.977 -7.547 -52.094 1.00 0.00 H new ATOM 0 HG3 GLU A1810 4.351 -7.864 -50.488 1.00 0.00 H new ATOM 636 N TYR A1811 4.489 -3.061 -52.141 1.00 0.00 N ATOM 637 CA TYR A1811 4.057 -1.707 -52.530 1.00 0.00 C ATOM 638 C TYR A1811 2.528 -1.554 -52.558 1.00 0.00 C ATOM 639 O TYR A1811 1.989 -0.514 -52.173 1.00 0.00 O ATOM 640 CB TYR A1811 4.661 -1.347 -53.897 1.00 0.00 C ATOM 641 CG TYR A1811 4.734 0.144 -54.172 1.00 0.00 C ATOM 642 CD1 TYR A1811 5.674 0.936 -53.484 1.00 0.00 C ATOM 643 CD2 TYR A1811 3.866 0.744 -55.110 1.00 0.00 C ATOM 644 CE1 TYR A1811 5.753 2.319 -53.732 1.00 0.00 C ATOM 645 CE2 TYR A1811 3.946 2.126 -55.368 1.00 0.00 C ATOM 646 CZ TYR A1811 4.892 2.917 -54.682 1.00 0.00 C ATOM 647 OH TYR A1811 4.986 4.250 -54.936 1.00 0.00 O ATOM 0 H TYR A1811 5.089 -3.510 -52.833 1.00 0.00 H new ATOM 0 HA TYR A1811 4.422 -1.016 -51.770 1.00 0.00 H new ATOM 0 HB2 TYR A1811 5.665 -1.766 -53.960 1.00 0.00 H new ATOM 0 HB3 TYR A1811 4.068 -1.821 -54.680 1.00 0.00 H new ATOM 0 HD1 TYR A1811 6.337 0.480 -52.763 1.00 0.00 H new ATOM 0 HD2 TYR A1811 3.138 0.141 -55.632 1.00 0.00 H new ATOM 0 HE1 TYR A1811 6.471 2.924 -53.197 1.00 0.00 H new ATOM 0 HE2 TYR A1811 3.284 2.580 -56.090 1.00 0.00 H new ATOM 0 HH TYR A1811 4.325 4.501 -55.614 1.00 0.00 H new ATOM 657 N SER A1812 1.817 -2.626 -52.936 1.00 0.00 N ATOM 658 CA SER A1812 0.346 -2.734 -52.992 1.00 0.00 C ATOM 659 C SER A1812 -0.358 -2.633 -51.629 1.00 0.00 C ATOM 660 O SER A1812 -1.574 -2.427 -51.597 1.00 0.00 O ATOM 661 CB SER A1812 -0.041 -4.075 -53.634 1.00 0.00 C ATOM 662 OG SER A1812 0.585 -4.253 -54.899 1.00 0.00 O ATOM 0 H SER A1812 2.275 -3.490 -53.227 1.00 0.00 H new ATOM 0 HA SER A1812 0.012 -1.880 -53.581 1.00 0.00 H new ATOM 0 HB2 SER A1812 0.242 -4.892 -52.970 1.00 0.00 H new ATOM 0 HB3 SER A1812 -1.123 -4.122 -53.754 1.00 0.00 H new ATOM 0 HG SER A1812 0.318 -5.117 -55.278 1.00 0.00 H new ATOM 668 N VAL A1813 0.373 -2.743 -50.509 1.00 0.00 N ATOM 669 CA VAL A1813 -0.149 -2.551 -49.136 1.00 0.00 C ATOM 670 C VAL A1813 0.557 -1.433 -48.358 1.00 0.00 C ATOM 671 O VAL A1813 0.011 -0.948 -47.365 1.00 0.00 O ATOM 672 CB VAL A1813 -0.171 -3.865 -48.322 1.00 0.00 C ATOM 673 CG1 VAL A1813 -1.071 -4.919 -48.978 1.00 0.00 C ATOM 674 CG2 VAL A1813 1.222 -4.472 -48.118 1.00 0.00 C ATOM 0 H VAL A1813 1.367 -2.973 -50.527 1.00 0.00 H new ATOM 0 HA VAL A1813 -1.180 -2.227 -49.274 1.00 0.00 H new ATOM 0 HB VAL A1813 -0.570 -3.588 -47.346 1.00 0.00 H new ATOM 0 HG11 VAL A1813 -1.062 -5.829 -48.378 1.00 0.00 H new ATOM 0 HG12 VAL A1813 -2.090 -4.538 -49.043 1.00 0.00 H new ATOM 0 HG13 VAL A1813 -0.702 -5.141 -49.979 1.00 0.00 H new ATOM 0 HG21 VAL A1813 1.137 -5.392 -47.540 1.00 0.00 H new ATOM 0 HG22 VAL A1813 1.668 -4.693 -49.088 1.00 0.00 H new ATOM 0 HG23 VAL A1813 1.853 -3.763 -47.582 1.00 0.00 H new ATOM 684 N LEU A1814 1.706 -0.936 -48.831 1.00 0.00 N ATOM 685 CA LEU A1814 2.383 0.263 -48.319 1.00 0.00 C ATOM 686 C LEU A1814 1.457 1.495 -48.368 1.00 0.00 C ATOM 687 O LEU A1814 1.384 2.250 -47.402 1.00 0.00 O ATOM 688 CB LEU A1814 3.689 0.449 -49.112 1.00 0.00 C ATOM 689 CG LEU A1814 4.765 1.345 -48.462 1.00 0.00 C ATOM 690 CD1 LEU A1814 6.079 1.127 -49.204 1.00 0.00 C ATOM 691 CD2 LEU A1814 4.471 2.843 -48.527 1.00 0.00 C ATOM 0 H LEU A1814 2.207 -1.371 -49.606 1.00 0.00 H new ATOM 0 HA LEU A1814 2.633 0.141 -47.265 1.00 0.00 H new ATOM 0 HB2 LEU A1814 4.124 -0.535 -49.289 1.00 0.00 H new ATOM 0 HB3 LEU A1814 3.440 0.867 -50.087 1.00 0.00 H new ATOM 0 HG LEU A1814 4.796 1.061 -47.410 1.00 0.00 H new ATOM 0 HD11 LEU A1814 6.855 1.751 -48.761 1.00 0.00 H new ATOM 0 HD12 LEU A1814 6.370 0.079 -49.129 1.00 0.00 H new ATOM 0 HD13 LEU A1814 5.953 1.395 -50.253 1.00 0.00 H new ATOM 0 HD21 LEU A1814 5.280 3.394 -48.046 1.00 0.00 H new ATOM 0 HD22 LEU A1814 4.390 3.153 -49.569 1.00 0.00 H new ATOM 0 HD23 LEU A1814 3.533 3.052 -48.012 1.00 0.00 H new ATOM 703 N SER A1815 0.682 1.662 -49.443 1.00 0.00 N ATOM 704 CA SER A1815 -0.345 2.713 -49.569 1.00 0.00 C ATOM 705 C SER A1815 -1.440 2.643 -48.497 1.00 0.00 C ATOM 706 O SER A1815 -1.876 3.679 -47.987 1.00 0.00 O ATOM 707 CB SER A1815 -0.968 2.675 -50.966 1.00 0.00 C ATOM 708 OG SER A1815 -1.466 1.377 -51.263 1.00 0.00 O ATOM 0 H SER A1815 0.748 1.064 -50.266 1.00 0.00 H new ATOM 0 HA SER A1815 0.169 3.661 -49.413 1.00 0.00 H new ATOM 0 HB2 SER A1815 -1.777 3.403 -51.028 1.00 0.00 H new ATOM 0 HB3 SER A1815 -0.224 2.962 -51.709 1.00 0.00 H new ATOM 0 HG SER A1815 -1.861 1.376 -52.160 1.00 0.00 H new ATOM 714 N ASP A1816 -1.874 1.441 -48.107 1.00 0.00 N ATOM 715 CA ASP A1816 -2.844 1.258 -47.025 1.00 0.00 C ATOM 716 C ASP A1816 -2.207 1.456 -45.632 1.00 0.00 C ATOM 717 O ASP A1816 -2.824 2.078 -44.766 1.00 0.00 O ATOM 718 CB ASP A1816 -3.518 -0.113 -47.147 1.00 0.00 C ATOM 719 CG ASP A1816 -4.843 -0.152 -46.365 1.00 0.00 C ATOM 720 OD1 ASP A1816 -5.768 0.610 -46.731 1.00 0.00 O ATOM 721 OD2 ASP A1816 -4.981 -0.956 -45.414 1.00 0.00 O ATOM 0 H ASP A1816 -1.563 0.568 -48.533 1.00 0.00 H new ATOM 0 HA ASP A1816 -3.608 2.029 -47.125 1.00 0.00 H new ATOM 0 HB2 ASP A1816 -3.705 -0.337 -48.197 1.00 0.00 H new ATOM 0 HB3 ASP A1816 -2.848 -0.886 -46.771 1.00 0.00 H new ATOM 726 N PHE A1817 -0.960 1.015 -45.430 1.00 0.00 N ATOM 727 CA PHE A1817 -0.158 1.271 -44.230 1.00 0.00 C ATOM 728 C PHE A1817 0.090 2.773 -43.992 1.00 0.00 C ATOM 729 O PHE A1817 -0.100 3.262 -42.876 1.00 0.00 O ATOM 730 CB PHE A1817 1.170 0.498 -44.331 1.00 0.00 C ATOM 731 CG PHE A1817 2.199 0.871 -43.279 1.00 0.00 C ATOM 732 CD1 PHE A1817 1.916 0.677 -41.911 1.00 0.00 C ATOM 733 CD2 PHE A1817 3.426 1.439 -43.665 1.00 0.00 C ATOM 734 CE1 PHE A1817 2.855 1.052 -40.938 1.00 0.00 C ATOM 735 CE2 PHE A1817 4.365 1.810 -42.687 1.00 0.00 C ATOM 736 CZ PHE A1817 4.074 1.627 -41.322 1.00 0.00 C ATOM 0 H PHE A1817 -0.466 0.451 -46.121 1.00 0.00 H new ATOM 0 HA PHE A1817 -0.722 0.918 -43.366 1.00 0.00 H new ATOM 0 HB2 PHE A1817 0.961 -0.569 -44.254 1.00 0.00 H new ATOM 0 HB3 PHE A1817 1.600 0.668 -45.318 1.00 0.00 H new ATOM 0 HD1 PHE A1817 0.975 0.239 -41.612 1.00 0.00 H new ATOM 0 HD2 PHE A1817 3.647 1.590 -44.711 1.00 0.00 H new ATOM 0 HE1 PHE A1817 2.638 0.897 -39.891 1.00 0.00 H new ATOM 0 HE2 PHE A1817 5.312 2.236 -42.984 1.00 0.00 H new ATOM 0 HZ PHE A1817 4.789 1.929 -40.571 1.00 0.00 H new ATOM 746 N ALA A1818 0.436 3.526 -45.046 1.00 0.00 N ATOM 747 CA ALA A1818 0.591 4.978 -45.028 1.00 0.00 C ATOM 748 C ALA A1818 -0.681 5.720 -44.557 1.00 0.00 C ATOM 749 O ALA A1818 -0.584 6.787 -43.949 1.00 0.00 O ATOM 750 CB ALA A1818 1.002 5.427 -46.438 1.00 0.00 C ATOM 0 H ALA A1818 0.621 3.122 -45.964 1.00 0.00 H new ATOM 0 HA ALA A1818 1.360 5.236 -44.300 1.00 0.00 H new ATOM 0 HB1 ALA A1818 1.125 6.510 -46.454 1.00 0.00 H new ATOM 0 HB2 ALA A1818 1.944 4.951 -46.711 1.00 0.00 H new ATOM 0 HB3 ALA A1818 0.229 5.139 -47.151 1.00 0.00 H new ATOM 756 N ASP A1819 -1.864 5.135 -44.790 1.00 0.00 N ATOM 757 CA ASP A1819 -3.175 5.612 -44.330 1.00 0.00 C ATOM 758 C ASP A1819 -3.638 4.997 -42.981 1.00 0.00 C ATOM 759 O ASP A1819 -4.679 5.386 -42.450 1.00 0.00 O ATOM 760 CB ASP A1819 -4.212 5.377 -45.439 1.00 0.00 C ATOM 761 CG ASP A1819 -5.541 6.098 -45.156 1.00 0.00 C ATOM 762 OD1 ASP A1819 -5.528 7.343 -44.975 1.00 0.00 O ATOM 763 OD2 ASP A1819 -6.605 5.431 -45.163 1.00 0.00 O ATOM 0 H ASP A1819 -1.936 4.273 -45.331 1.00 0.00 H new ATOM 0 HA ASP A1819 -3.077 6.678 -44.127 1.00 0.00 H new ATOM 0 HB2 ASP A1819 -3.808 5.723 -46.390 1.00 0.00 H new ATOM 0 HB3 ASP A1819 -4.396 4.307 -45.541 1.00 0.00 H new ATOM 768 N ALA A1820 -2.890 4.054 -42.393 1.00 0.00 N ATOM 769 CA ALA A1820 -3.247 3.368 -41.141 1.00 0.00 C ATOM 770 C ALA A1820 -2.676 4.060 -39.885 1.00 0.00 C ATOM 771 O ALA A1820 -3.159 3.849 -38.768 1.00 0.00 O ATOM 772 CB ALA A1820 -2.771 1.916 -41.225 1.00 0.00 C ATOM 0 H ALA A1820 -2.001 3.739 -42.781 1.00 0.00 H new ATOM 0 HA ALA A1820 -4.331 3.408 -41.033 1.00 0.00 H new ATOM 0 HB1 ALA A1820 -3.029 1.395 -40.303 1.00 0.00 H new ATOM 0 HB2 ALA A1820 -3.254 1.423 -42.068 1.00 0.00 H new ATOM 0 HB3 ALA A1820 -1.690 1.895 -41.363 1.00 0.00 H new ATOM 778 N LEU A1821 -1.642 4.885 -40.069 1.00 0.00 N ATOM 779 CA LEU A1821 -0.945 5.662 -39.033 1.00 0.00 C ATOM 780 C LEU A1821 -1.756 6.892 -38.572 1.00 0.00 C ATOM 781 O LEU A1821 -2.771 7.255 -39.179 1.00 0.00 O ATOM 782 CB LEU A1821 0.414 6.086 -39.627 1.00 0.00 C ATOM 783 CG LEU A1821 1.348 4.888 -39.915 1.00 0.00 C ATOM 784 CD1 LEU A1821 2.253 5.201 -41.099 1.00 0.00 C ATOM 785 CD2 LEU A1821 2.212 4.531 -38.708 1.00 0.00 C ATOM 0 H LEU A1821 -1.244 5.039 -40.995 1.00 0.00 H new ATOM 0 HA LEU A1821 -0.812 5.049 -38.141 1.00 0.00 H new ATOM 0 HB2 LEU A1821 0.244 6.637 -40.552 1.00 0.00 H new ATOM 0 HB3 LEU A1821 0.909 6.768 -38.936 1.00 0.00 H new ATOM 0 HG LEU A1821 0.711 4.033 -40.143 1.00 0.00 H new ATOM 0 HD11 LEU A1821 2.906 4.350 -41.293 1.00 0.00 H new ATOM 0 HD12 LEU A1821 1.643 5.398 -41.981 1.00 0.00 H new ATOM 0 HD13 LEU A1821 2.858 6.079 -40.872 1.00 0.00 H new ATOM 0 HD21 LEU A1821 2.852 3.684 -38.956 1.00 0.00 H new ATOM 0 HD22 LEU A1821 2.831 5.387 -38.438 1.00 0.00 H new ATOM 0 HD23 LEU A1821 1.571 4.267 -37.867 1.00 0.00 H new ATOM 797 N SER A1822 -1.273 7.581 -37.535 1.00 0.00 N ATOM 798 CA SER A1822 -1.712 8.939 -37.185 1.00 0.00 C ATOM 799 C SER A1822 -0.708 9.995 -37.670 1.00 0.00 C ATOM 800 O SER A1822 0.425 9.684 -38.053 1.00 0.00 O ATOM 801 CB SER A1822 -1.941 9.045 -35.672 1.00 0.00 C ATOM 802 OG SER A1822 -2.745 10.178 -35.373 1.00 0.00 O ATOM 0 H SER A1822 -0.559 7.211 -36.907 1.00 0.00 H new ATOM 0 HA SER A1822 -2.656 9.136 -37.693 1.00 0.00 H new ATOM 0 HB2 SER A1822 -2.426 8.140 -35.306 1.00 0.00 H new ATOM 0 HB3 SER A1822 -0.984 9.124 -35.157 1.00 0.00 H new ATOM 0 HG SER A1822 -2.885 10.233 -34.405 1.00 0.00 H new ATOM 808 N GLU A1823 -1.130 11.257 -37.708 1.00 0.00 N ATOM 809 CA GLU A1823 -0.288 12.403 -38.072 1.00 0.00 C ATOM 810 C GLU A1823 0.910 12.568 -37.104 1.00 0.00 C ATOM 811 O GLU A1823 0.803 12.210 -35.923 1.00 0.00 O ATOM 812 CB GLU A1823 -1.158 13.670 -38.094 1.00 0.00 C ATOM 813 CG GLU A1823 -2.176 13.643 -39.244 1.00 0.00 C ATOM 814 CD GLU A1823 -3.047 14.913 -39.242 1.00 0.00 C ATOM 815 OE1 GLU A1823 -4.115 14.924 -38.581 1.00 0.00 O ATOM 816 OE2 GLU A1823 -2.672 15.912 -39.908 1.00 0.00 O ATOM 0 H GLU A1823 -2.089 11.521 -37.482 1.00 0.00 H new ATOM 0 HA GLU A1823 0.134 12.230 -39.062 1.00 0.00 H new ATOM 0 HB2 GLU A1823 -1.685 13.766 -37.145 1.00 0.00 H new ATOM 0 HB3 GLU A1823 -0.519 14.548 -38.194 1.00 0.00 H new ATOM 0 HG2 GLU A1823 -1.652 13.559 -40.196 1.00 0.00 H new ATOM 0 HG3 GLU A1823 -2.811 12.762 -39.151 1.00 0.00 H new ATOM 823 N PRO A1824 2.046 13.155 -37.549 1.00 0.00 N ATOM 824 CA PRO A1824 2.310 13.681 -38.893 1.00 0.00 C ATOM 825 C PRO A1824 2.817 12.641 -39.918 1.00 0.00 C ATOM 826 O PRO A1824 2.873 12.949 -41.113 1.00 0.00 O ATOM 827 CB PRO A1824 3.347 14.783 -38.659 1.00 0.00 C ATOM 828 CG PRO A1824 4.191 14.218 -37.516 1.00 0.00 C ATOM 829 CD PRO A1824 3.152 13.491 -36.662 1.00 0.00 C ATOM 0 HA PRO A1824 1.384 14.031 -39.348 1.00 0.00 H new ATOM 0 HB2 PRO A1824 3.946 14.970 -39.550 1.00 0.00 H new ATOM 0 HB3 PRO A1824 2.878 15.728 -38.386 1.00 0.00 H new ATOM 0 HG2 PRO A1824 4.963 13.540 -37.879 1.00 0.00 H new ATOM 0 HG3 PRO A1824 4.696 15.006 -36.957 1.00 0.00 H new ATOM 0 HD2 PRO A1824 3.578 12.592 -36.216 1.00 0.00 H new ATOM 0 HD3 PRO A1824 2.813 14.124 -35.842 1.00 0.00 H new ATOM 837 N LEU A1825 3.162 11.410 -39.503 1.00 0.00 N ATOM 838 CA LEU A1825 3.638 10.334 -40.392 1.00 0.00 C ATOM 839 C LEU A1825 2.563 9.860 -41.392 1.00 0.00 C ATOM 840 O LEU A1825 2.904 9.468 -42.506 1.00 0.00 O ATOM 841 CB LEU A1825 4.149 9.140 -39.564 1.00 0.00 C ATOM 842 CG LEU A1825 5.582 9.309 -39.022 1.00 0.00 C ATOM 843 CD1 LEU A1825 5.680 10.291 -37.857 1.00 0.00 C ATOM 844 CD2 LEU A1825 6.118 7.963 -38.540 1.00 0.00 C ATOM 0 H LEU A1825 3.117 11.129 -38.523 1.00 0.00 H new ATOM 0 HA LEU A1825 4.456 10.754 -40.977 1.00 0.00 H new ATOM 0 HB2 LEU A1825 3.473 8.979 -38.725 1.00 0.00 H new ATOM 0 HB3 LEU A1825 4.110 8.242 -40.181 1.00 0.00 H new ATOM 0 HG LEU A1825 6.168 9.706 -39.851 1.00 0.00 H new ATOM 0 HD11 LEU A1825 6.716 10.361 -37.526 1.00 0.00 H new ATOM 0 HD12 LEU A1825 5.335 11.273 -38.179 1.00 0.00 H new ATOM 0 HD13 LEU A1825 5.059 9.941 -37.033 1.00 0.00 H new ATOM 0 HD21 LEU A1825 7.131 8.090 -38.158 1.00 0.00 H new ATOM 0 HD22 LEU A1825 5.477 7.579 -37.746 1.00 0.00 H new ATOM 0 HD23 LEU A1825 6.129 7.257 -39.371 1.00 0.00 H new ATOM 856 N ARG A1826 1.283 9.916 -41.009 1.00 0.00 N ATOM 857 CA ARG A1826 0.097 9.654 -41.846 1.00 0.00 C ATOM 858 C ARG A1826 0.135 10.416 -43.177 1.00 0.00 C ATOM 859 O ARG A1826 0.200 11.647 -43.188 1.00 0.00 O ATOM 860 CB ARG A1826 -1.142 10.027 -41.008 1.00 0.00 C ATOM 861 CG ARG A1826 -2.507 10.023 -41.701 1.00 0.00 C ATOM 862 CD ARG A1826 -2.845 8.642 -42.270 1.00 0.00 C ATOM 863 NE ARG A1826 -4.264 8.496 -42.634 1.00 0.00 N ATOM 864 CZ ARG A1826 -5.293 8.269 -41.844 1.00 0.00 C ATOM 865 NH1 ARG A1826 -5.188 8.197 -40.547 1.00 0.00 N ATOM 866 NH2 ARG A1826 -6.468 8.109 -42.379 1.00 0.00 N ATOM 0 H ARG A1826 1.027 10.159 -40.052 1.00 0.00 H new ATOM 0 HA ARG A1826 0.068 8.601 -42.126 1.00 0.00 H new ATOM 0 HB2 ARG A1826 -1.194 9.339 -40.164 1.00 0.00 H new ATOM 0 HB3 ARG A1826 -0.979 11.023 -40.597 1.00 0.00 H new ATOM 0 HG2 ARG A1826 -3.277 10.323 -40.991 1.00 0.00 H new ATOM 0 HG3 ARG A1826 -2.510 10.759 -42.505 1.00 0.00 H new ATOM 0 HD2 ARG A1826 -2.230 8.459 -43.151 1.00 0.00 H new ATOM 0 HD3 ARG A1826 -2.585 7.880 -41.535 1.00 0.00 H new ATOM 0 HE ARG A1826 -4.478 8.582 -43.628 1.00 0.00 H new ATOM 0 HH11 ARG A1826 -4.279 8.319 -40.101 1.00 0.00 H new ATOM 0 HH12 ARG A1826 -6.015 8.019 -39.977 1.00 0.00 H new ATOM 0 HH21 ARG A1826 -6.579 8.160 -43.392 1.00 0.00 H new ATOM 0 HH22 ARG A1826 -7.279 7.932 -41.786 1.00 0.00 H new ATOM 880 N ILE A1827 0.005 9.681 -44.286 1.00 0.00 N ATOM 881 CA ILE A1827 -0.262 10.214 -45.630 1.00 0.00 C ATOM 882 C ILE A1827 -1.669 9.755 -46.052 1.00 0.00 C ATOM 883 O ILE A1827 -1.857 8.649 -46.566 1.00 0.00 O ATOM 884 CB ILE A1827 0.825 9.837 -46.666 1.00 0.00 C ATOM 885 CG1 ILE A1827 2.276 10.044 -46.165 1.00 0.00 C ATOM 886 CG2 ILE A1827 0.618 10.706 -47.922 1.00 0.00 C ATOM 887 CD1 ILE A1827 2.907 8.751 -45.646 1.00 0.00 C ATOM 0 H ILE A1827 0.085 8.664 -44.275 1.00 0.00 H new ATOM 0 HA ILE A1827 -0.225 11.303 -45.595 1.00 0.00 H new ATOM 0 HB ILE A1827 0.711 8.772 -46.867 1.00 0.00 H new ATOM 0 HG12 ILE A1827 2.884 10.441 -46.978 1.00 0.00 H new ATOM 0 HG13 ILE A1827 2.280 10.790 -45.371 1.00 0.00 H new ATOM 0 HG21 ILE A1827 1.374 10.456 -48.666 1.00 0.00 H new ATOM 0 HG22 ILE A1827 -0.373 10.518 -48.335 1.00 0.00 H new ATOM 0 HG23 ILE A1827 0.706 11.759 -47.654 1.00 0.00 H new ATOM 0 HD11 ILE A1827 3.923 8.952 -45.307 1.00 0.00 H new ATOM 0 HD12 ILE A1827 2.317 8.367 -44.814 1.00 0.00 H new ATOM 0 HD13 ILE A1827 2.931 8.011 -46.446 1.00 0.00 H new ATOM 899 N ALA A1828 -2.668 10.591 -45.764 1.00 0.00 N ATOM 900 CA ALA A1828 -4.085 10.279 -45.948 1.00 0.00 C ATOM 901 C ALA A1828 -4.431 9.881 -47.401 1.00 0.00 C ATOM 902 O ALA A1828 -4.048 10.560 -48.363 1.00 0.00 O ATOM 903 CB ALA A1828 -4.920 11.471 -45.458 1.00 0.00 C ATOM 0 H ALA A1828 -2.510 11.526 -45.387 1.00 0.00 H new ATOM 0 HA ALA A1828 -4.327 9.399 -45.353 1.00 0.00 H new ATOM 0 HB1 ALA A1828 -5.980 11.252 -45.590 1.00 0.00 H new ATOM 0 HB2 ALA A1828 -4.715 11.650 -44.403 1.00 0.00 H new ATOM 0 HB3 ALA A1828 -4.659 12.359 -46.034 1.00 0.00 H new ATOM 909 N LYS A1829 -5.145 8.758 -47.556 1.00 0.00 N ATOM 910 CA LYS A1829 -5.534 8.150 -48.843 1.00 0.00 C ATOM 911 C LYS A1829 -6.417 9.093 -49.702 1.00 0.00 C ATOM 912 O LYS A1829 -7.293 9.757 -49.132 1.00 0.00 O ATOM 913 CB LYS A1829 -6.253 6.825 -48.521 1.00 0.00 C ATOM 914 CG LYS A1829 -6.492 5.904 -49.723 1.00 0.00 C ATOM 915 CD LYS A1829 -7.285 4.643 -49.351 1.00 0.00 C ATOM 916 CE LYS A1829 -6.510 3.707 -48.410 1.00 0.00 C ATOM 917 NZ LYS A1829 -7.296 2.495 -48.086 1.00 0.00 N ATOM 0 H LYS A1829 -5.483 8.223 -46.756 1.00 0.00 H new ATOM 0 HA LYS A1829 -4.647 7.966 -49.449 1.00 0.00 H new ATOM 0 HB2 LYS A1829 -5.667 6.283 -47.779 1.00 0.00 H new ATOM 0 HB3 LYS A1829 -7.215 7.054 -48.062 1.00 0.00 H new ATOM 0 HG2 LYS A1829 -7.031 6.453 -50.495 1.00 0.00 H new ATOM 0 HG3 LYS A1829 -5.532 5.613 -50.150 1.00 0.00 H new ATOM 0 HD2 LYS A1829 -8.221 4.935 -48.875 1.00 0.00 H new ATOM 0 HD3 LYS A1829 -7.545 4.102 -50.261 1.00 0.00 H new ATOM 0 HE2 LYS A1829 -5.568 3.418 -48.877 1.00 0.00 H new ATOM 0 HE3 LYS A1829 -6.261 4.237 -47.491 1.00 0.00 H new ATOM 0 HZ1 LYS A1829 -6.694 1.816 -47.578 1.00 0.00 H new ATOM 0 HZ2 LYS A1829 -8.105 2.756 -47.487 1.00 0.00 H new ATOM 0 HZ3 LYS A1829 -7.642 2.060 -48.965 1.00 0.00 H new ATOM 931 N PRO A1830 -6.255 9.132 -51.047 1.00 0.00 N ATOM 932 CA PRO A1830 -5.231 8.446 -51.841 1.00 0.00 C ATOM 933 C PRO A1830 -3.839 9.084 -51.697 1.00 0.00 C ATOM 934 O PRO A1830 -3.700 10.299 -51.588 1.00 0.00 O ATOM 935 CB PRO A1830 -5.737 8.524 -53.292 1.00 0.00 C ATOM 936 CG PRO A1830 -6.522 9.832 -53.323 1.00 0.00 C ATOM 937 CD PRO A1830 -7.142 9.884 -51.927 1.00 0.00 C ATOM 0 HA PRO A1830 -5.097 7.419 -51.502 1.00 0.00 H new ATOM 0 HB2 PRO A1830 -4.913 8.533 -54.005 1.00 0.00 H new ATOM 0 HB3 PRO A1830 -6.367 7.671 -53.544 1.00 0.00 H new ATOM 0 HG2 PRO A1830 -5.875 10.689 -53.511 1.00 0.00 H new ATOM 0 HG3 PRO A1830 -7.282 9.830 -54.104 1.00 0.00 H new ATOM 0 HD2 PRO A1830 -7.243 10.914 -51.586 1.00 0.00 H new ATOM 0 HD3 PRO A1830 -8.142 9.450 -51.931 1.00 0.00 H new ATOM 945 N ASN A1831 -2.806 8.241 -51.720 1.00 0.00 N ATOM 946 CA ASN A1831 -1.403 8.615 -51.496 1.00 0.00 C ATOM 947 C ASN A1831 -0.422 8.042 -52.543 1.00 0.00 C ATOM 948 O ASN A1831 0.783 8.240 -52.414 1.00 0.00 O ATOM 949 CB ASN A1831 -1.012 8.248 -50.049 1.00 0.00 C ATOM 950 CG ASN A1831 -1.261 6.787 -49.695 1.00 0.00 C ATOM 951 OD1 ASN A1831 -1.052 5.880 -50.485 1.00 0.00 O ATOM 952 ND2 ASN A1831 -1.740 6.517 -48.503 1.00 0.00 N ATOM 0 H ASN A1831 -2.924 7.244 -51.901 1.00 0.00 H new ATOM 0 HA ASN A1831 -1.320 9.693 -51.630 1.00 0.00 H new ATOM 0 HB2 ASN A1831 0.044 8.473 -49.900 1.00 0.00 H new ATOM 0 HB3 ASN A1831 -1.573 8.880 -49.360 1.00 0.00 H new ATOM 0 HD21 ASN A1831 -1.937 5.552 -48.239 1.00 0.00 H new ATOM 0 HD22 ASN A1831 -1.916 7.273 -47.841 1.00 0.00 H new ATOM 959 N GLN A1832 -0.888 7.360 -53.596 1.00 0.00 N ATOM 960 CA GLN A1832 -0.018 6.764 -54.626 1.00 0.00 C ATOM 961 C GLN A1832 0.938 7.785 -55.281 1.00 0.00 C ATOM 962 O GLN A1832 2.116 7.493 -55.475 1.00 0.00 O ATOM 963 CB GLN A1832 -0.866 5.995 -55.661 1.00 0.00 C ATOM 964 CG GLN A1832 -1.811 6.856 -56.522 1.00 0.00 C ATOM 965 CD GLN A1832 -2.735 5.994 -57.382 1.00 0.00 C ATOM 966 OE1 GLN A1832 -3.895 5.756 -57.057 1.00 0.00 O ATOM 967 NE2 GLN A1832 -2.271 5.505 -58.514 1.00 0.00 N ATOM 0 H GLN A1832 -1.882 7.203 -53.761 1.00 0.00 H new ATOM 0 HA GLN A1832 0.638 6.050 -54.127 1.00 0.00 H new ATOM 0 HB2 GLN A1832 -0.192 5.453 -56.325 1.00 0.00 H new ATOM 0 HB3 GLN A1832 -1.462 5.250 -55.134 1.00 0.00 H new ATOM 0 HG2 GLN A1832 -2.410 7.497 -55.875 1.00 0.00 H new ATOM 0 HG3 GLN A1832 -1.222 7.511 -57.164 1.00 0.00 H new ATOM 0 HE21 GLN A1832 -1.309 5.695 -58.796 1.00 0.00 H new ATOM 0 HE22 GLN A1832 -2.874 4.936 -59.109 1.00 0.00 H new ATOM 976 N ILE A1833 0.464 9.010 -55.546 1.00 0.00 N ATOM 977 CA ILE A1833 1.274 10.123 -56.078 1.00 0.00 C ATOM 978 C ILE A1833 2.301 10.594 -55.043 1.00 0.00 C ATOM 979 O ILE A1833 3.468 10.823 -55.370 1.00 0.00 O ATOM 980 CB ILE A1833 0.349 11.282 -56.543 1.00 0.00 C ATOM 981 CG1 ILE A1833 -0.557 10.803 -57.704 1.00 0.00 C ATOM 982 CG2 ILE A1833 1.181 12.499 -56.992 1.00 0.00 C ATOM 983 CD1 ILE A1833 -1.741 11.731 -57.999 1.00 0.00 C ATOM 0 H ILE A1833 -0.512 9.264 -55.395 1.00 0.00 H new ATOM 0 HA ILE A1833 1.832 9.771 -56.946 1.00 0.00 H new ATOM 0 HB ILE A1833 -0.275 11.583 -55.701 1.00 0.00 H new ATOM 0 HG12 ILE A1833 0.048 10.706 -58.606 1.00 0.00 H new ATOM 0 HG13 ILE A1833 -0.938 9.810 -57.467 1.00 0.00 H new ATOM 0 HG21 ILE A1833 0.513 13.298 -57.313 1.00 0.00 H new ATOM 0 HG22 ILE A1833 1.792 12.849 -56.160 1.00 0.00 H new ATOM 0 HG23 ILE A1833 1.828 12.212 -57.821 1.00 0.00 H new ATOM 0 HD11 ILE A1833 -2.325 11.324 -58.825 1.00 0.00 H new ATOM 0 HD12 ILE A1833 -2.371 11.810 -57.113 1.00 0.00 H new ATOM 0 HD13 ILE A1833 -1.370 12.720 -58.270 1.00 0.00 H new ATOM 995 N SER A1834 1.896 10.695 -53.775 1.00 0.00 N ATOM 996 CA SER A1834 2.752 11.049 -52.636 1.00 0.00 C ATOM 997 C SER A1834 3.927 10.074 -52.484 1.00 0.00 C ATOM 998 O SER A1834 5.066 10.516 -52.336 1.00 0.00 O ATOM 999 CB SER A1834 1.926 11.073 -51.342 1.00 0.00 C ATOM 1000 OG SER A1834 0.747 11.844 -51.489 1.00 0.00 O ATOM 0 H SER A1834 0.928 10.527 -53.501 1.00 0.00 H new ATOM 0 HA SER A1834 3.161 12.041 -52.827 1.00 0.00 H new ATOM 0 HB2 SER A1834 1.662 10.054 -51.060 1.00 0.00 H new ATOM 0 HB3 SER A1834 2.530 11.482 -50.532 1.00 0.00 H new ATOM 0 HG SER A1834 0.244 11.837 -50.648 1.00 0.00 H new ATOM 1006 N LEU A1835 3.665 8.764 -52.566 1.00 0.00 N ATOM 1007 CA LEU A1835 4.662 7.686 -52.538 1.00 0.00 C ATOM 1008 C LEU A1835 5.580 7.684 -53.776 1.00 0.00 C ATOM 1009 O LEU A1835 6.790 7.481 -53.639 1.00 0.00 O ATOM 1010 CB LEU A1835 3.947 6.325 -52.413 1.00 0.00 C ATOM 1011 CG LEU A1835 3.123 6.128 -51.132 1.00 0.00 C ATOM 1012 CD1 LEU A1835 2.402 4.787 -51.225 1.00 0.00 C ATOM 1013 CD2 LEU A1835 3.967 6.136 -49.859 1.00 0.00 C ATOM 0 H LEU A1835 2.712 8.411 -52.658 1.00 0.00 H new ATOM 0 HA LEU A1835 5.301 7.861 -51.672 1.00 0.00 H new ATOM 0 HB2 LEU A1835 3.287 6.200 -53.272 1.00 0.00 H new ATOM 0 HB3 LEU A1835 4.695 5.534 -52.468 1.00 0.00 H new ATOM 0 HG LEU A1835 2.430 6.966 -51.063 1.00 0.00 H new ATOM 0 HD11 LEU A1835 1.811 4.629 -50.323 1.00 0.00 H new ATOM 0 HD12 LEU A1835 1.745 4.787 -52.095 1.00 0.00 H new ATOM 0 HD13 LEU A1835 3.135 3.986 -51.324 1.00 0.00 H new ATOM 0 HD21 LEU A1835 3.321 5.992 -48.993 1.00 0.00 H new ATOM 0 HD22 LEU A1835 4.700 5.330 -49.903 1.00 0.00 H new ATOM 0 HD23 LEU A1835 4.484 7.092 -49.771 1.00 0.00 H new ATOM 1025 N ILE A1836 5.050 7.968 -54.972 1.00 0.00 N ATOM 1026 CA ILE A1836 5.838 8.144 -56.210 1.00 0.00 C ATOM 1027 C ILE A1836 6.837 9.310 -56.074 1.00 0.00 C ATOM 1028 O ILE A1836 7.948 9.233 -56.609 1.00 0.00 O ATOM 1029 CB ILE A1836 4.881 8.301 -57.425 1.00 0.00 C ATOM 1030 CG1 ILE A1836 4.295 6.920 -57.796 1.00 0.00 C ATOM 1031 CG2 ILE A1836 5.547 8.929 -58.666 1.00 0.00 C ATOM 1032 CD1 ILE A1836 3.071 6.972 -58.721 1.00 0.00 C ATOM 0 H ILE A1836 4.047 8.085 -55.115 1.00 0.00 H new ATOM 0 HA ILE A1836 6.442 7.253 -56.384 1.00 0.00 H new ATOM 0 HB ILE A1836 4.096 8.991 -57.116 1.00 0.00 H new ATOM 0 HG12 ILE A1836 5.073 6.328 -58.278 1.00 0.00 H new ATOM 0 HG13 ILE A1836 4.019 6.399 -56.879 1.00 0.00 H new ATOM 0 HG21 ILE A1836 4.816 9.006 -59.471 1.00 0.00 H new ATOM 0 HG22 ILE A1836 5.917 9.923 -58.416 1.00 0.00 H new ATOM 0 HG23 ILE A1836 6.379 8.303 -58.989 1.00 0.00 H new ATOM 0 HD11 ILE A1836 2.728 5.958 -58.928 1.00 0.00 H new ATOM 0 HD12 ILE A1836 2.272 7.534 -58.236 1.00 0.00 H new ATOM 0 HD13 ILE A1836 3.342 7.461 -59.657 1.00 0.00 H new ATOM 1044 N ASN A1837 6.481 10.366 -55.333 1.00 0.00 N ATOM 1045 CA ASN A1837 7.368 11.502 -55.042 1.00 0.00 C ATOM 1046 C ASN A1837 8.388 11.246 -53.910 1.00 0.00 C ATOM 1047 O ASN A1837 9.337 12.018 -53.772 1.00 0.00 O ATOM 1048 CB ASN A1837 6.503 12.750 -54.768 1.00 0.00 C ATOM 1049 CG ASN A1837 6.005 13.402 -56.048 1.00 0.00 C ATOM 1050 OD1 ASN A1837 6.614 14.314 -56.588 1.00 0.00 O ATOM 1051 ND2 ASN A1837 4.891 12.967 -56.584 1.00 0.00 N ATOM 0 H ASN A1837 5.556 10.458 -54.912 1.00 0.00 H new ATOM 0 HA ASN A1837 7.991 11.662 -55.922 1.00 0.00 H new ATOM 0 HB2 ASN A1837 5.650 12.469 -54.151 1.00 0.00 H new ATOM 0 HB3 ASN A1837 7.085 13.474 -54.197 1.00 0.00 H new ATOM 0 HD21 ASN A1837 4.540 13.389 -57.444 1.00 0.00 H new ATOM 0 HD22 ASN A1837 4.375 12.206 -56.141 1.00 0.00 H new ATOM 1058 N MET A1838 8.245 10.179 -53.114 1.00 0.00 N ATOM 1059 CA MET A1838 9.255 9.688 -52.168 1.00 0.00 C ATOM 1060 C MET A1838 10.341 8.849 -52.877 1.00 0.00 C ATOM 1061 O MET A1838 10.183 8.421 -54.024 1.00 0.00 O ATOM 1062 CB MET A1838 8.587 8.859 -51.053 1.00 0.00 C ATOM 1063 CG MET A1838 7.662 9.704 -50.171 1.00 0.00 C ATOM 1064 SD MET A1838 6.833 8.775 -48.854 1.00 0.00 S ATOM 1065 CE MET A1838 5.977 10.136 -48.029 1.00 0.00 C ATOM 0 H MET A1838 7.395 9.615 -53.111 1.00 0.00 H new ATOM 0 HA MET A1838 9.742 10.557 -51.726 1.00 0.00 H new ATOM 0 HB2 MET A1838 8.015 8.047 -51.501 1.00 0.00 H new ATOM 0 HB3 MET A1838 9.358 8.402 -50.433 1.00 0.00 H new ATOM 0 HG2 MET A1838 8.244 10.509 -49.721 1.00 0.00 H new ATOM 0 HG3 MET A1838 6.906 10.171 -50.801 1.00 0.00 H new ATOM 0 HE1 MET A1838 5.408 9.749 -47.183 1.00 0.00 H new ATOM 0 HE2 MET A1838 6.707 10.863 -47.673 1.00 0.00 H new ATOM 0 HE3 MET A1838 5.298 10.618 -48.732 1.00 0.00 H new ATOM 1075 N ASP A1839 11.441 8.577 -52.177 1.00 0.00 N ATOM 1076 CA ASP A1839 12.603 7.812 -52.657 1.00 0.00 C ATOM 1077 C ASP A1839 12.625 6.381 -52.069 1.00 0.00 C ATOM 1078 O ASP A1839 13.607 5.935 -51.470 1.00 0.00 O ATOM 1079 CB ASP A1839 13.880 8.623 -52.359 1.00 0.00 C ATOM 1080 CG ASP A1839 15.151 8.003 -52.975 1.00 0.00 C ATOM 1081 OD1 ASP A1839 15.088 7.466 -54.109 1.00 0.00 O ATOM 1082 OD2 ASP A1839 16.236 8.086 -52.341 1.00 0.00 O ATOM 0 H ASP A1839 11.557 8.896 -51.215 1.00 0.00 H new ATOM 0 HA ASP A1839 12.540 7.667 -53.735 1.00 0.00 H new ATOM 0 HB2 ASP A1839 13.756 9.637 -52.741 1.00 0.00 H new ATOM 0 HB3 ASP A1839 14.009 8.702 -51.280 1.00 0.00 H new ATOM 1087 N LEU A1840 11.503 5.669 -52.203 1.00 0.00 N ATOM 1088 CA LEU A1840 11.315 4.292 -51.733 1.00 0.00 C ATOM 1089 C LEU A1840 12.032 3.275 -52.655 1.00 0.00 C ATOM 1090 O LEU A1840 11.708 3.219 -53.847 1.00 0.00 O ATOM 1091 CB LEU A1840 9.805 3.979 -51.656 1.00 0.00 C ATOM 1092 CG LEU A1840 9.037 4.805 -50.605 1.00 0.00 C ATOM 1093 CD1 LEU A1840 7.531 4.644 -50.802 1.00 0.00 C ATOM 1094 CD2 LEU A1840 9.377 4.370 -49.173 1.00 0.00 C ATOM 0 H LEU A1840 10.672 6.047 -52.657 1.00 0.00 H new ATOM 0 HA LEU A1840 11.758 4.201 -50.741 1.00 0.00 H new ATOM 0 HB2 LEU A1840 9.359 4.155 -52.635 1.00 0.00 H new ATOM 0 HB3 LEU A1840 9.677 2.920 -51.433 1.00 0.00 H new ATOM 0 HG LEU A1840 9.336 5.844 -50.742 1.00 0.00 H new ATOM 0 HD11 LEU A1840 7.001 5.233 -50.053 1.00 0.00 H new ATOM 0 HD12 LEU A1840 7.255 4.991 -51.798 1.00 0.00 H new ATOM 0 HD13 LEU A1840 7.260 3.593 -50.696 1.00 0.00 H new ATOM 0 HD21 LEU A1840 8.814 4.978 -48.465 1.00 0.00 H new ATOM 0 HD22 LEU A1840 9.114 3.321 -49.040 1.00 0.00 H new ATOM 0 HD23 LEU A1840 10.444 4.502 -48.996 1.00 0.00 H new ATOM 1106 N PRO A1841 13.001 2.475 -52.155 1.00 0.00 N ATOM 1107 CA PRO A1841 13.641 1.398 -52.919 1.00 0.00 C ATOM 1108 C PRO A1841 12.719 0.170 -53.065 1.00 0.00 C ATOM 1109 O PRO A1841 11.629 0.139 -52.497 1.00 0.00 O ATOM 1110 CB PRO A1841 14.907 1.070 -52.119 1.00 0.00 C ATOM 1111 CG PRO A1841 14.467 1.302 -50.670 1.00 0.00 C ATOM 1112 CD PRO A1841 13.513 2.493 -50.785 1.00 0.00 C ATOM 0 HA PRO A1841 13.866 1.696 -53.943 1.00 0.00 H new ATOM 0 HB2 PRO A1841 15.233 0.043 -52.282 1.00 0.00 H new ATOM 0 HB3 PRO A1841 15.739 1.717 -52.397 1.00 0.00 H new ATOM 0 HG2 PRO A1841 13.970 0.426 -50.254 1.00 0.00 H new ATOM 0 HG3 PRO A1841 15.315 1.525 -50.022 1.00 0.00 H new ATOM 0 HD2 PRO A1841 12.699 2.411 -50.064 1.00 0.00 H new ATOM 0 HD3 PRO A1841 14.031 3.429 -50.575 1.00 0.00 H new ATOM 1120 N MET A1842 13.158 -0.862 -53.797 1.00 0.00 N ATOM 1121 CA MET A1842 12.524 -2.195 -53.802 1.00 0.00 C ATOM 1122 C MET A1842 13.572 -3.319 -53.688 1.00 0.00 C ATOM 1123 O MET A1842 14.438 -3.462 -54.556 1.00 0.00 O ATOM 1124 CB MET A1842 11.634 -2.389 -55.042 1.00 0.00 C ATOM 1125 CG MET A1842 10.396 -1.487 -55.002 1.00 0.00 C ATOM 1126 SD MET A1842 9.181 -1.793 -56.313 1.00 0.00 S ATOM 1127 CE MET A1842 7.951 -0.529 -55.867 1.00 0.00 C ATOM 0 H MET A1842 13.971 -0.799 -54.410 1.00 0.00 H new ATOM 0 HA MET A1842 11.883 -2.252 -52.922 1.00 0.00 H new ATOM 0 HB2 MET A1842 12.212 -2.174 -55.941 1.00 0.00 H new ATOM 0 HB3 MET A1842 11.322 -3.431 -55.106 1.00 0.00 H new ATOM 0 HG2 MET A1842 9.905 -1.612 -54.037 1.00 0.00 H new ATOM 0 HG3 MET A1842 10.720 -0.448 -55.063 1.00 0.00 H new ATOM 0 HE1 MET A1842 6.982 -0.800 -56.287 1.00 0.00 H new ATOM 0 HE2 MET A1842 7.871 -0.466 -54.782 1.00 0.00 H new ATOM 0 HE3 MET A1842 8.261 0.437 -56.265 1.00 0.00 H new ATOM 1137 N VAL A1843 13.522 -4.099 -52.598 1.00 0.00 N ATOM 1138 CA VAL A1843 14.550 -5.096 -52.215 1.00 0.00 C ATOM 1139 C VAL A1843 14.574 -6.345 -53.112 1.00 0.00 C ATOM 1140 O VAL A1843 15.630 -6.960 -53.285 1.00 0.00 O ATOM 1141 CB VAL A1843 14.445 -5.497 -50.728 1.00 0.00 C ATOM 1142 CG1 VAL A1843 14.519 -4.259 -49.815 1.00 0.00 C ATOM 1143 CG2 VAL A1843 13.177 -6.291 -50.378 1.00 0.00 C ATOM 0 H VAL A1843 12.747 -4.058 -51.936 1.00 0.00 H new ATOM 0 HA VAL A1843 15.501 -4.587 -52.370 1.00 0.00 H new ATOM 0 HB VAL A1843 15.297 -6.154 -50.557 1.00 0.00 H new ATOM 0 HG11 VAL A1843 14.443 -4.570 -48.773 1.00 0.00 H new ATOM 0 HG12 VAL A1843 15.468 -3.747 -49.972 1.00 0.00 H new ATOM 0 HG13 VAL A1843 13.698 -3.582 -50.053 1.00 0.00 H new ATOM 0 HG21 VAL A1843 13.181 -6.533 -49.315 1.00 0.00 H new ATOM 0 HG22 VAL A1843 12.297 -5.692 -50.610 1.00 0.00 H new ATOM 0 HG23 VAL A1843 13.152 -7.212 -50.960 1.00 0.00 H new ATOM 1153 N SER A1844 13.428 -6.715 -53.694 1.00 0.00 N ATOM 1154 CA SER A1844 13.250 -7.881 -54.584 1.00 0.00 C ATOM 1155 C SER A1844 12.420 -7.586 -55.845 1.00 0.00 C ATOM 1156 O SER A1844 12.099 -8.501 -56.608 1.00 0.00 O ATOM 1157 CB SER A1844 12.667 -9.059 -53.783 1.00 0.00 C ATOM 1158 OG SER A1844 11.358 -8.796 -53.286 1.00 0.00 O ATOM 0 H SER A1844 12.562 -6.194 -53.556 1.00 0.00 H new ATOM 0 HA SER A1844 14.238 -8.148 -54.959 1.00 0.00 H new ATOM 0 HB2 SER A1844 12.638 -9.945 -54.418 1.00 0.00 H new ATOM 0 HB3 SER A1844 13.329 -9.287 -52.947 1.00 0.00 H new ATOM 0 HG SER A1844 10.743 -9.491 -53.600 1.00 0.00 H new ATOM 1164 N GLY A1845 12.065 -6.316 -56.079 1.00 0.00 N ATOM 1165 CA GLY A1845 11.312 -5.826 -57.240 1.00 0.00 C ATOM 1166 C GLY A1845 9.837 -5.497 -56.971 1.00 0.00 C ATOM 1167 O GLY A1845 9.186 -4.903 -57.833 1.00 0.00 O ATOM 0 H GLY A1845 12.307 -5.566 -55.432 1.00 0.00 H new ATOM 0 HA2 GLY A1845 11.804 -4.931 -57.620 1.00 0.00 H new ATOM 0 HA3 GLY A1845 11.362 -6.577 -58.029 1.00 0.00 H new ATOM 1171 N ASP A1846 9.304 -5.850 -55.794 1.00 0.00 N ATOM 1172 CA ASP A1846 7.917 -5.566 -55.367 1.00 0.00 C ATOM 1173 C ASP A1846 7.763 -5.175 -53.878 1.00 0.00 C ATOM 1174 O ASP A1846 6.686 -4.721 -53.477 1.00 0.00 O ATOM 1175 CB ASP A1846 7.036 -6.795 -55.649 1.00 0.00 C ATOM 1176 CG ASP A1846 6.828 -7.057 -57.149 1.00 0.00 C ATOM 1177 OD1 ASP A1846 5.960 -6.390 -57.769 1.00 0.00 O ATOM 1178 OD2 ASP A1846 7.485 -7.969 -57.712 1.00 0.00 O ATOM 0 H ASP A1846 9.838 -6.357 -55.087 1.00 0.00 H new ATOM 0 HA ASP A1846 7.604 -4.696 -55.945 1.00 0.00 H new ATOM 0 HB2 ASP A1846 7.492 -7.674 -55.193 1.00 0.00 H new ATOM 0 HB3 ASP A1846 6.066 -6.656 -55.173 1.00 0.00 H new ATOM 1183 N ARG A1847 8.810 -5.329 -53.049 1.00 0.00 N ATOM 1184 CA ARG A1847 8.765 -5.178 -51.579 1.00 0.00 C ATOM 1185 C ARG A1847 9.770 -4.156 -51.048 1.00 0.00 C ATOM 1186 O ARG A1847 10.802 -3.926 -51.671 1.00 0.00 O ATOM 1187 CB ARG A1847 9.019 -6.537 -50.904 1.00 0.00 C ATOM 1188 CG ARG A1847 7.905 -7.563 -51.173 1.00 0.00 C ATOM 1189 CD ARG A1847 8.209 -8.911 -50.501 1.00 0.00 C ATOM 1190 NE ARG A1847 9.420 -9.531 -51.061 1.00 0.00 N ATOM 1191 CZ ARG A1847 9.976 -10.670 -50.712 1.00 0.00 C ATOM 1192 NH1 ARG A1847 9.488 -11.426 -49.771 1.00 0.00 N ATOM 1193 NH2 ARG A1847 11.059 -11.058 -51.322 1.00 0.00 N ATOM 0 H ARG A1847 9.740 -5.569 -53.391 1.00 0.00 H new ATOM 0 HA ARG A1847 7.769 -4.808 -51.336 1.00 0.00 H new ATOM 0 HB2 ARG A1847 9.968 -6.940 -51.257 1.00 0.00 H new ATOM 0 HB3 ARG A1847 9.116 -6.389 -49.828 1.00 0.00 H new ATOM 0 HG2 ARG A1847 6.955 -7.176 -50.803 1.00 0.00 H new ATOM 0 HG3 ARG A1847 7.793 -7.708 -52.248 1.00 0.00 H new ATOM 0 HD2 ARG A1847 8.337 -8.764 -49.429 1.00 0.00 H new ATOM 0 HD3 ARG A1847 7.361 -9.583 -50.631 1.00 0.00 H new ATOM 0 HE ARG A1847 9.883 -9.016 -51.809 1.00 0.00 H new ATOM 0 HH11 ARG A1847 8.644 -11.141 -49.274 1.00 0.00 H new ATOM 0 HH12 ARG A1847 9.950 -12.303 -49.530 1.00 0.00 H new ATOM 0 HH21 ARG A1847 11.464 -10.481 -52.059 1.00 0.00 H new ATOM 0 HH22 ARG A1847 11.502 -11.939 -51.063 1.00 0.00 H new ATOM 1207 N ILE A1848 9.481 -3.571 -49.886 1.00 0.00 N ATOM 1208 CA ILE A1848 10.147 -2.378 -49.337 1.00 0.00 C ATOM 1209 C ILE A1848 10.375 -2.546 -47.823 1.00 0.00 C ATOM 1210 O ILE A1848 9.483 -2.984 -47.088 1.00 0.00 O ATOM 1211 CB ILE A1848 9.333 -1.098 -49.653 1.00 0.00 C ATOM 1212 CG1 ILE A1848 8.885 -0.985 -51.133 1.00 0.00 C ATOM 1213 CG2 ILE A1848 10.165 0.151 -49.315 1.00 0.00 C ATOM 1214 CD1 ILE A1848 7.509 -1.611 -51.409 1.00 0.00 C ATOM 0 H ILE A1848 8.747 -3.926 -49.272 1.00 0.00 H new ATOM 0 HA ILE A1848 11.121 -2.269 -49.814 1.00 0.00 H new ATOM 0 HB ILE A1848 8.435 -1.166 -49.039 1.00 0.00 H new ATOM 0 HG12 ILE A1848 8.860 0.067 -51.417 1.00 0.00 H new ATOM 0 HG13 ILE A1848 9.628 -1.468 -51.767 1.00 0.00 H new ATOM 0 HG21 ILE A1848 9.585 1.046 -49.540 1.00 0.00 H new ATOM 0 HG22 ILE A1848 10.421 0.142 -48.256 1.00 0.00 H new ATOM 0 HG23 ILE A1848 11.079 0.151 -49.909 1.00 0.00 H new ATOM 0 HD11 ILE A1848 7.261 -1.495 -52.464 1.00 0.00 H new ATOM 0 HD12 ILE A1848 7.534 -2.671 -51.157 1.00 0.00 H new ATOM 0 HD13 ILE A1848 6.754 -1.112 -50.802 1.00 0.00 H new ATOM 1226 N HIS A1849 11.589 -2.222 -47.364 1.00 0.00 N ATOM 1227 CA HIS A1849 12.074 -2.361 -45.985 1.00 0.00 C ATOM 1228 C HIS A1849 11.492 -1.323 -45.006 1.00 0.00 C ATOM 1229 O HIS A1849 11.400 -0.136 -45.318 1.00 0.00 O ATOM 1230 CB HIS A1849 13.606 -2.258 -46.041 1.00 0.00 C ATOM 1231 CG HIS A1849 14.301 -2.349 -44.709 1.00 0.00 C ATOM 1232 ND1 HIS A1849 15.180 -1.415 -44.216 1.00 0.00 N ATOM 1233 CD2 HIS A1849 14.212 -3.373 -43.798 1.00 0.00 C ATOM 1234 CE1 HIS A1849 15.619 -1.858 -43.026 1.00 0.00 C ATOM 1235 NE2 HIS A1849 15.056 -3.040 -42.728 1.00 0.00 N ATOM 0 H HIS A1849 12.302 -1.833 -47.981 1.00 0.00 H new ATOM 0 HA HIS A1849 11.741 -3.322 -45.593 1.00 0.00 H new ATOM 0 HB2 HIS A1849 13.985 -3.051 -46.686 1.00 0.00 H new ATOM 0 HB3 HIS A1849 13.874 -1.311 -46.509 1.00 0.00 H new ATOM 0 HD1 HIS A1849 15.450 -0.543 -44.671 1.00 0.00 H new ATOM 0 HD2 HIS A1849 13.608 -4.264 -43.888 1.00 0.00 H new ATOM 0 HE1 HIS A1849 16.326 -1.337 -42.397 1.00 0.00 H new ATOM 1243 N CYS A1850 11.162 -1.759 -43.785 1.00 0.00 N ATOM 1244 CA CYS A1850 10.509 -0.965 -42.734 1.00 0.00 C ATOM 1245 C CYS A1850 11.204 0.375 -42.416 1.00 0.00 C ATOM 1246 O CYS A1850 10.545 1.413 -42.399 1.00 0.00 O ATOM 1247 CB CYS A1850 10.337 -1.840 -41.473 1.00 0.00 C ATOM 1248 SG CYS A1850 11.918 -2.324 -40.712 1.00 0.00 S ATOM 0 H CYS A1850 11.350 -2.716 -43.488 1.00 0.00 H new ATOM 0 HA CYS A1850 9.533 -0.668 -43.118 1.00 0.00 H new ATOM 0 HB2 CYS A1850 9.740 -1.296 -40.740 1.00 0.00 H new ATOM 0 HB3 CYS A1850 9.778 -2.738 -41.736 1.00 0.00 H new ATOM 0 HG CYS A1850 11.730 -3.351 -39.937 1.00 0.00 H new ATOM 1254 N MET A1851 12.524 0.376 -42.193 1.00 0.00 N ATOM 1255 CA MET A1851 13.269 1.575 -41.791 1.00 0.00 C ATOM 1256 C MET A1851 13.341 2.610 -42.928 1.00 0.00 C ATOM 1257 O MET A1851 13.223 3.810 -42.684 1.00 0.00 O ATOM 1258 CB MET A1851 14.658 1.176 -41.271 1.00 0.00 C ATOM 1259 CG MET A1851 15.335 2.301 -40.473 1.00 0.00 C ATOM 1260 SD MET A1851 16.175 3.574 -41.456 1.00 0.00 S ATOM 1261 CE MET A1851 15.851 5.016 -40.399 1.00 0.00 C ATOM 0 H MET A1851 13.106 -0.456 -42.286 1.00 0.00 H new ATOM 0 HA MET A1851 12.733 2.063 -40.977 1.00 0.00 H new ATOM 0 HB2 MET A1851 14.566 0.292 -40.640 1.00 0.00 H new ATOM 0 HB3 MET A1851 15.292 0.901 -42.114 1.00 0.00 H new ATOM 0 HG2 MET A1851 14.580 2.786 -39.854 1.00 0.00 H new ATOM 0 HG3 MET A1851 16.062 1.853 -39.796 1.00 0.00 H new ATOM 0 HE1 MET A1851 16.297 5.904 -40.847 1.00 0.00 H new ATOM 0 HE2 MET A1851 14.775 5.161 -40.301 1.00 0.00 H new ATOM 0 HE3 MET A1851 16.286 4.850 -39.413 1.00 0.00 H new ATOM 1271 N ASP A1852 13.464 2.162 -44.182 1.00 0.00 N ATOM 1272 CA ASP A1852 13.454 3.033 -45.367 1.00 0.00 C ATOM 1273 C ASP A1852 12.092 3.719 -45.572 1.00 0.00 C ATOM 1274 O ASP A1852 12.036 4.874 -45.999 1.00 0.00 O ATOM 1275 CB ASP A1852 13.870 2.226 -46.611 1.00 0.00 C ATOM 1276 CG ASP A1852 15.354 1.820 -46.542 1.00 0.00 C ATOM 1277 OD1 ASP A1852 15.675 0.811 -45.869 1.00 0.00 O ATOM 1278 OD2 ASP A1852 16.204 2.505 -47.160 1.00 0.00 O ATOM 0 H ASP A1852 13.575 1.173 -44.407 1.00 0.00 H new ATOM 0 HA ASP A1852 14.178 3.831 -45.206 1.00 0.00 H new ATOM 0 HB2 ASP A1852 13.250 1.333 -46.693 1.00 0.00 H new ATOM 0 HB3 ASP A1852 13.694 2.820 -47.508 1.00 0.00 H new ATOM 1283 N ILE A1853 10.996 3.043 -45.220 1.00 0.00 N ATOM 1284 CA ILE A1853 9.644 3.616 -45.215 1.00 0.00 C ATOM 1285 C ILE A1853 9.492 4.648 -44.085 1.00 0.00 C ATOM 1286 O ILE A1853 9.034 5.762 -44.332 1.00 0.00 O ATOM 1287 CB ILE A1853 8.570 2.506 -45.126 1.00 0.00 C ATOM 1288 CG1 ILE A1853 8.684 1.539 -46.320 1.00 0.00 C ATOM 1289 CG2 ILE A1853 7.157 3.119 -45.118 1.00 0.00 C ATOM 1290 CD1 ILE A1853 7.966 0.205 -46.091 1.00 0.00 C ATOM 0 H ILE A1853 11.021 2.067 -44.926 1.00 0.00 H new ATOM 0 HA ILE A1853 9.491 4.139 -46.159 1.00 0.00 H new ATOM 0 HB ILE A1853 8.737 1.959 -44.198 1.00 0.00 H new ATOM 0 HG12 ILE A1853 8.271 2.018 -47.207 1.00 0.00 H new ATOM 0 HG13 ILE A1853 9.737 1.346 -46.523 1.00 0.00 H new ATOM 0 HG21 ILE A1853 6.415 2.323 -45.055 1.00 0.00 H new ATOM 0 HG22 ILE A1853 7.052 3.781 -44.258 1.00 0.00 H new ATOM 0 HG23 ILE A1853 7.002 3.688 -46.035 1.00 0.00 H new ATOM 0 HD11 ILE A1853 8.086 -0.428 -46.970 1.00 0.00 H new ATOM 0 HD12 ILE A1853 8.395 -0.295 -45.222 1.00 0.00 H new ATOM 0 HD13 ILE A1853 6.906 0.388 -45.917 1.00 0.00 H new ATOM 1302 N LEU A1854 9.927 4.317 -42.863 1.00 0.00 N ATOM 1303 CA LEU A1854 9.966 5.255 -41.729 1.00 0.00 C ATOM 1304 C LEU A1854 10.758 6.525 -42.073 1.00 0.00 C ATOM 1305 O LEU A1854 10.274 7.636 -41.850 1.00 0.00 O ATOM 1306 CB LEU A1854 10.522 4.542 -40.480 1.00 0.00 C ATOM 1307 CG LEU A1854 10.693 5.448 -39.243 1.00 0.00 C ATOM 1308 CD1 LEU A1854 9.377 6.062 -38.762 1.00 0.00 C ATOM 1309 CD2 LEU A1854 11.296 4.639 -38.097 1.00 0.00 C ATOM 0 H LEU A1854 10.265 3.383 -42.629 1.00 0.00 H new ATOM 0 HA LEU A1854 8.950 5.581 -41.509 1.00 0.00 H new ATOM 0 HB2 LEU A1854 9.856 3.719 -40.221 1.00 0.00 H new ATOM 0 HB3 LEU A1854 11.488 4.104 -40.729 1.00 0.00 H new ATOM 0 HG LEU A1854 11.350 6.264 -39.543 1.00 0.00 H new ATOM 0 HD11 LEU A1854 9.565 6.688 -37.890 1.00 0.00 H new ATOM 0 HD12 LEU A1854 8.946 6.669 -39.558 1.00 0.00 H new ATOM 0 HD13 LEU A1854 8.681 5.267 -38.495 1.00 0.00 H new ATOM 0 HD21 LEU A1854 11.417 5.280 -37.223 1.00 0.00 H new ATOM 0 HD22 LEU A1854 10.634 3.809 -37.850 1.00 0.00 H new ATOM 0 HD23 LEU A1854 12.269 4.250 -38.399 1.00 0.00 H new ATOM 1321 N PHE A1855 11.950 6.369 -42.650 1.00 0.00 N ATOM 1322 CA PHE A1855 12.768 7.455 -43.189 1.00 0.00 C ATOM 1323 C PHE A1855 11.981 8.304 -44.200 1.00 0.00 C ATOM 1324 O PHE A1855 11.840 9.508 -43.995 1.00 0.00 O ATOM 1325 CB PHE A1855 14.058 6.881 -43.795 1.00 0.00 C ATOM 1326 CG PHE A1855 14.901 7.896 -44.544 1.00 0.00 C ATOM 1327 CD1 PHE A1855 15.654 8.857 -43.842 1.00 0.00 C ATOM 1328 CD2 PHE A1855 14.904 7.900 -45.954 1.00 0.00 C ATOM 1329 CE1 PHE A1855 16.416 9.805 -44.543 1.00 0.00 C ATOM 1330 CE2 PHE A1855 15.664 8.853 -46.656 1.00 0.00 C ATOM 1331 CZ PHE A1855 16.424 9.807 -45.952 1.00 0.00 C ATOM 0 H PHE A1855 12.386 5.453 -42.758 1.00 0.00 H new ATOM 0 HA PHE A1855 13.044 8.126 -42.375 1.00 0.00 H new ATOM 0 HB2 PHE A1855 14.659 6.446 -42.996 1.00 0.00 H new ATOM 0 HB3 PHE A1855 13.797 6.070 -44.475 1.00 0.00 H new ATOM 0 HD1 PHE A1855 15.645 8.865 -42.762 1.00 0.00 H new ATOM 0 HD2 PHE A1855 14.322 7.170 -46.496 1.00 0.00 H new ATOM 0 HE1 PHE A1855 16.998 10.535 -44.000 1.00 0.00 H new ATOM 0 HE2 PHE A1855 15.665 8.853 -47.736 1.00 0.00 H new ATOM 0 HZ PHE A1855 17.011 10.537 -46.490 1.00 0.00 H new ATOM 1341 N ALA A1856 11.420 7.701 -45.257 1.00 0.00 N ATOM 1342 CA ALA A1856 10.636 8.410 -46.271 1.00 0.00 C ATOM 1343 C ALA A1856 9.444 9.207 -45.692 1.00 0.00 C ATOM 1344 O ALA A1856 9.195 10.336 -46.123 1.00 0.00 O ATOM 1345 CB ALA A1856 10.173 7.401 -47.321 1.00 0.00 C ATOM 0 H ALA A1856 11.500 6.699 -45.431 1.00 0.00 H new ATOM 0 HA ALA A1856 11.280 9.163 -46.725 1.00 0.00 H new ATOM 0 HB1 ALA A1856 9.587 7.913 -48.084 1.00 0.00 H new ATOM 0 HB2 ALA A1856 11.042 6.933 -47.784 1.00 0.00 H new ATOM 0 HB3 ALA A1856 9.559 6.636 -46.845 1.00 0.00 H new ATOM 1351 N PHE A1857 8.733 8.654 -44.702 1.00 0.00 N ATOM 1352 CA PHE A1857 7.615 9.328 -44.026 1.00 0.00 C ATOM 1353 C PHE A1857 8.083 10.491 -43.132 1.00 0.00 C ATOM 1354 O PHE A1857 7.493 11.573 -43.171 1.00 0.00 O ATOM 1355 CB PHE A1857 6.794 8.312 -43.207 1.00 0.00 C ATOM 1356 CG PHE A1857 6.028 7.227 -43.968 1.00 0.00 C ATOM 1357 CD1 PHE A1857 6.048 7.118 -45.377 1.00 0.00 C ATOM 1358 CD2 PHE A1857 5.259 6.306 -43.231 1.00 0.00 C ATOM 1359 CE1 PHE A1857 5.324 6.103 -46.029 1.00 0.00 C ATOM 1360 CE2 PHE A1857 4.534 5.291 -43.882 1.00 0.00 C ATOM 1361 CZ PHE A1857 4.570 5.187 -45.279 1.00 0.00 C ATOM 0 H PHE A1857 8.918 7.717 -44.343 1.00 0.00 H new ATOM 0 HA PHE A1857 6.982 9.759 -44.802 1.00 0.00 H new ATOM 0 HB2 PHE A1857 7.473 7.817 -42.512 1.00 0.00 H new ATOM 0 HB3 PHE A1857 6.075 8.870 -42.607 1.00 0.00 H new ATOM 0 HD1 PHE A1857 6.625 7.821 -45.959 1.00 0.00 H new ATOM 0 HD2 PHE A1857 5.225 6.380 -42.154 1.00 0.00 H new ATOM 0 HE1 PHE A1857 5.348 6.029 -47.106 1.00 0.00 H new ATOM 0 HE2 PHE A1857 3.949 4.591 -43.304 1.00 0.00 H new ATOM 0 HZ PHE A1857 4.019 4.404 -45.778 1.00 0.00 H new ATOM 1371 N THR A1858 9.141 10.303 -42.333 1.00 0.00 N ATOM 1372 CA THR A1858 9.673 11.326 -41.403 1.00 0.00 C ATOM 1373 C THR A1858 10.463 12.436 -42.104 1.00 0.00 C ATOM 1374 O THR A1858 10.456 13.576 -41.641 1.00 0.00 O ATOM 1375 CB THR A1858 10.523 10.716 -40.276 1.00 0.00 C ATOM 1376 OG1 THR A1858 11.561 9.909 -40.779 1.00 0.00 O ATOM 1377 CG2 THR A1858 9.671 9.874 -39.322 1.00 0.00 C ATOM 0 H THR A1858 9.663 9.427 -42.309 1.00 0.00 H new ATOM 0 HA THR A1858 8.786 11.780 -40.962 1.00 0.00 H new ATOM 0 HB THR A1858 10.954 11.558 -39.734 1.00 0.00 H new ATOM 0 HG1 THR A1858 11.188 9.066 -41.111 1.00 0.00 H new ATOM 0 HG21 THR A1858 10.305 9.459 -38.538 1.00 0.00 H new ATOM 0 HG22 THR A1858 8.901 10.501 -38.872 1.00 0.00 H new ATOM 0 HG23 THR A1858 9.200 9.062 -39.876 1.00 0.00 H new ATOM 1385 N LYS A1859 11.069 12.159 -43.266 1.00 0.00 N ATOM 1386 CA LYS A1859 11.740 13.115 -44.166 1.00 0.00 C ATOM 1387 C LYS A1859 10.855 14.320 -44.522 1.00 0.00 C ATOM 1388 O LYS A1859 11.331 15.456 -44.464 1.00 0.00 O ATOM 1389 CB LYS A1859 12.222 12.317 -45.390 1.00 0.00 C ATOM 1390 CG LYS A1859 12.907 13.098 -46.522 1.00 0.00 C ATOM 1391 CD LYS A1859 13.384 12.095 -47.588 1.00 0.00 C ATOM 1392 CE LYS A1859 13.917 12.726 -48.881 1.00 0.00 C ATOM 1393 NZ LYS A1859 15.158 13.518 -48.674 1.00 0.00 N ATOM 0 H LYS A1859 11.108 11.206 -43.627 1.00 0.00 H new ATOM 0 HA LYS A1859 12.596 13.572 -43.669 1.00 0.00 H new ATOM 0 HB2 LYS A1859 12.916 11.553 -45.041 1.00 0.00 H new ATOM 0 HB3 LYS A1859 11.362 11.797 -45.813 1.00 0.00 H new ATOM 0 HG2 LYS A1859 12.214 13.816 -46.960 1.00 0.00 H new ATOM 0 HG3 LYS A1859 13.751 13.667 -46.133 1.00 0.00 H new ATOM 0 HD2 LYS A1859 14.168 11.473 -47.155 1.00 0.00 H new ATOM 0 HD3 LYS A1859 12.555 11.434 -47.839 1.00 0.00 H new ATOM 0 HE2 LYS A1859 14.113 11.939 -49.609 1.00 0.00 H new ATOM 0 HE3 LYS A1859 13.148 13.371 -49.308 1.00 0.00 H new ATOM 0 HZ1 LYS A1859 15.470 13.919 -49.582 1.00 0.00 H new ATOM 0 HZ2 LYS A1859 14.970 14.289 -48.002 1.00 0.00 H new ATOM 0 HZ3 LYS A1859 15.904 12.901 -48.294 1.00 0.00 H new ATOM 1407 N ARG A1860 9.558 14.089 -44.780 1.00 0.00 N ATOM 1408 CA ARG A1860 8.526 15.136 -44.948 1.00 0.00 C ATOM 1409 C ARG A1860 8.399 16.030 -43.710 1.00 0.00 C ATOM 1410 O ARG A1860 8.486 17.255 -43.812 1.00 0.00 O ATOM 1411 CB ARG A1860 7.166 14.492 -45.293 1.00 0.00 C ATOM 1412 CG ARG A1860 7.110 13.825 -46.676 1.00 0.00 C ATOM 1413 CD ARG A1860 6.943 14.850 -47.810 1.00 0.00 C ATOM 1414 NE ARG A1860 7.094 14.208 -49.129 1.00 0.00 N ATOM 1415 CZ ARG A1860 6.178 13.581 -49.845 1.00 0.00 C ATOM 1416 NH1 ARG A1860 4.925 13.530 -49.490 1.00 0.00 N ATOM 1417 NH2 ARG A1860 6.502 12.965 -50.945 1.00 0.00 N ATOM 0 H ARG A1860 9.184 13.146 -44.881 1.00 0.00 H new ATOM 0 HA ARG A1860 8.841 15.776 -45.773 1.00 0.00 H new ATOM 0 HB2 ARG A1860 6.928 13.747 -44.534 1.00 0.00 H new ATOM 0 HB3 ARG A1860 6.392 15.258 -45.241 1.00 0.00 H new ATOM 0 HG2 ARG A1860 8.023 13.252 -46.838 1.00 0.00 H new ATOM 0 HG3 ARG A1860 6.281 13.118 -46.703 1.00 0.00 H new ATOM 0 HD2 ARG A1860 5.961 15.319 -47.740 1.00 0.00 H new ATOM 0 HD3 ARG A1860 7.683 15.643 -47.700 1.00 0.00 H new ATOM 0 HE ARG A1860 8.026 14.254 -49.542 1.00 0.00 H new ATOM 0 HH11 ARG A1860 4.620 13.985 -48.630 1.00 0.00 H new ATOM 0 HH12 ARG A1860 4.250 13.035 -50.072 1.00 0.00 H new ATOM 0 HH21 ARG A1860 7.472 12.963 -51.262 1.00 0.00 H new ATOM 0 HH22 ARG A1860 5.786 12.484 -51.490 1.00 0.00 H new ATOM 1431 N VAL A1861 8.209 15.416 -42.539 1.00 0.00 N ATOM 1432 CA VAL A1861 8.026 16.079 -41.228 1.00 0.00 C ATOM 1433 C VAL A1861 9.236 16.944 -40.852 1.00 0.00 C ATOM 1434 O VAL A1861 9.085 18.086 -40.416 1.00 0.00 O ATOM 1435 CB VAL A1861 7.749 15.047 -40.112 1.00 0.00 C ATOM 1436 CG1 VAL A1861 7.291 15.750 -38.830 1.00 0.00 C ATOM 1437 CG2 VAL A1861 6.670 14.028 -40.504 1.00 0.00 C ATOM 0 H VAL A1861 8.176 14.399 -42.467 1.00 0.00 H new ATOM 0 HA VAL A1861 7.159 16.732 -41.325 1.00 0.00 H new ATOM 0 HB VAL A1861 8.688 14.518 -39.951 1.00 0.00 H new ATOM 0 HG11 VAL A1861 7.101 15.007 -38.056 1.00 0.00 H new ATOM 0 HG12 VAL A1861 8.069 16.435 -38.493 1.00 0.00 H new ATOM 0 HG13 VAL A1861 6.377 16.309 -39.028 1.00 0.00 H new ATOM 0 HG21 VAL A1861 6.516 13.327 -39.683 1.00 0.00 H new ATOM 0 HG22 VAL A1861 5.737 14.550 -40.716 1.00 0.00 H new ATOM 0 HG23 VAL A1861 6.990 13.482 -41.392 1.00 0.00 H new