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 Single : A1787 SER OG : rot 180:sc= 0 USER MOD Single : A1793 MET CE :methyl -163:sc= -0.0171 (180deg=-0.385) 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 -33:sc= 0.0538 USER MOD Single : A1807 GLN : amide:sc= 0.952 K(o=0.95,f=0) 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+ -168:sc= 1.25 (180deg=1.17) USER MOD Single : A1831 ASN : amide:sc= 1.5 K(o=1.5,f=-3.6!) 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= 1.03 K(o=1,f=0) USER MOD Single : A1838 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1842 MET CE :methyl -175:sc= 0 (180deg=-0.0271) USER MOD Single : A1844 SER OG : rot 180:sc= 0 USER MOD Single : A1849 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD Single : A1850 CYS SG : rot 92:sc= 0.785 USER MOD Single : A1851 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1858 THR OG1 : rot -74:sc= 0.782 USER MOD Single : A1859 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 226 N LEU A1786 10.558 14.914 -33.624 1.00 0.00 N ATOM 227 CA LEU A1786 10.075 13.548 -33.388 1.00 0.00 C ATOM 228 C LEU A1786 10.780 12.900 -32.184 1.00 0.00 C ATOM 229 O LEU A1786 11.894 13.283 -31.811 1.00 0.00 O ATOM 230 CB LEU A1786 10.321 12.708 -34.664 1.00 0.00 C ATOM 231 CG LEU A1786 9.443 13.091 -35.870 1.00 0.00 C ATOM 232 CD1 LEU A1786 10.045 12.495 -37.139 1.00 0.00 C ATOM 233 CD2 LEU A1786 8.020 12.546 -35.727 1.00 0.00 C ATOM 0 HA LEU A1786 9.010 13.586 -33.160 1.00 0.00 H new ATOM 0 HB2 LEU A1786 11.368 12.806 -34.950 1.00 0.00 H new ATOM 0 HB3 LEU A1786 10.151 11.657 -34.428 1.00 0.00 H new ATOM 0 HG LEU A1786 9.405 14.179 -35.919 1.00 0.00 H new ATOM 0 HD11 LEU A1786 9.427 12.763 -37.996 1.00 0.00 H new ATOM 0 HD12 LEU A1786 11.053 12.886 -37.282 1.00 0.00 H new ATOM 0 HD13 LEU A1786 10.086 11.410 -37.047 1.00 0.00 H new ATOM 0 HD21 LEU A1786 7.430 12.836 -36.596 1.00 0.00 H new ATOM 0 HD22 LEU A1786 8.052 11.459 -35.657 1.00 0.00 H new ATOM 0 HD23 LEU A1786 7.563 12.954 -34.826 1.00 0.00 H new ATOM 245 N SER A1787 10.154 11.862 -31.624 1.00 0.00 N ATOM 246 CA SER A1787 10.646 11.059 -30.495 1.00 0.00 C ATOM 247 C SER A1787 10.333 9.564 -30.695 1.00 0.00 C ATOM 248 O SER A1787 9.607 9.179 -31.617 1.00 0.00 O ATOM 249 CB SER A1787 10.006 11.545 -29.178 1.00 0.00 C ATOM 250 OG SER A1787 10.312 12.907 -28.893 1.00 0.00 O ATOM 0 H SER A1787 9.246 11.541 -31.960 1.00 0.00 H new ATOM 0 HA SER A1787 11.728 11.183 -30.445 1.00 0.00 H new ATOM 0 HB2 SER A1787 8.924 11.424 -29.237 1.00 0.00 H new ATOM 0 HB3 SER A1787 10.353 10.918 -28.356 1.00 0.00 H new ATOM 0 HG SER A1787 9.884 13.169 -28.051 1.00 0.00 H new ATOM 256 N GLU A1788 10.834 8.699 -29.808 1.00 0.00 N ATOM 257 CA GLU A1788 10.558 7.249 -29.843 1.00 0.00 C ATOM 258 C GLU A1788 9.069 6.891 -29.671 1.00 0.00 C ATOM 259 O GLU A1788 8.647 5.821 -30.106 1.00 0.00 O ATOM 260 CB GLU A1788 11.401 6.517 -28.790 1.00 0.00 C ATOM 261 CG GLU A1788 12.896 6.550 -29.125 1.00 0.00 C ATOM 262 CD GLU A1788 13.708 5.748 -28.090 1.00 0.00 C ATOM 263 OE1 GLU A1788 14.124 6.325 -27.052 1.00 0.00 O ATOM 264 OE2 GLU A1788 13.947 4.535 -28.307 1.00 0.00 O ATOM 0 H GLU A1788 11.445 8.980 -29.041 1.00 0.00 H new ATOM 0 HA GLU A1788 10.838 6.917 -30.843 1.00 0.00 H new ATOM 0 HB2 GLU A1788 11.238 6.974 -27.814 1.00 0.00 H new ATOM 0 HB3 GLU A1788 11.069 5.481 -28.716 1.00 0.00 H new ATOM 0 HG2 GLU A1788 13.059 6.137 -30.120 1.00 0.00 H new ATOM 0 HG3 GLU A1788 13.245 7.582 -29.147 1.00 0.00 H new ATOM 271 N ASP A1789 8.241 7.781 -29.114 1.00 0.00 N ATOM 272 CA ASP A1789 6.778 7.641 -29.046 1.00 0.00 C ATOM 273 C ASP A1789 6.109 7.640 -30.439 1.00 0.00 C ATOM 274 O ASP A1789 5.120 6.931 -30.660 1.00 0.00 O ATOM 275 CB ASP A1789 6.229 8.780 -28.171 1.00 0.00 C ATOM 276 CG ASP A1789 4.721 8.639 -27.916 1.00 0.00 C ATOM 277 OD1 ASP A1789 4.327 7.771 -27.094 1.00 0.00 O ATOM 278 OD2 ASP A1789 3.929 9.405 -28.516 1.00 0.00 O ATOM 0 H ASP A1789 8.577 8.643 -28.685 1.00 0.00 H new ATOM 0 HA ASP A1789 6.541 6.672 -28.607 1.00 0.00 H new ATOM 0 HB2 ASP A1789 6.758 8.791 -27.218 1.00 0.00 H new ATOM 0 HB3 ASP A1789 6.426 9.736 -28.656 1.00 0.00 H new ATOM 283 N ASP A1790 6.658 8.389 -31.402 1.00 0.00 N ATOM 284 CA ASP A1790 6.211 8.385 -32.803 1.00 0.00 C ATOM 285 C ASP A1790 6.609 7.076 -33.507 1.00 0.00 C ATOM 286 O ASP A1790 5.823 6.491 -34.253 1.00 0.00 O ATOM 287 CB ASP A1790 6.807 9.585 -33.554 1.00 0.00 C ATOM 288 CG ASP A1790 6.436 10.927 -32.903 1.00 0.00 C ATOM 289 OD1 ASP A1790 5.261 11.359 -33.032 1.00 0.00 O ATOM 290 OD2 ASP A1790 7.318 11.551 -32.259 1.00 0.00 O ATOM 0 H ASP A1790 7.437 9.025 -31.229 1.00 0.00 H new ATOM 0 HA ASP A1790 5.124 8.461 -32.810 1.00 0.00 H new ATOM 0 HB2 ASP A1790 7.892 9.488 -33.586 1.00 0.00 H new ATOM 0 HB3 ASP A1790 6.456 9.575 -34.586 1.00 0.00 H new ATOM 295 N PHE A1791 7.827 6.589 -33.247 1.00 0.00 N ATOM 296 CA PHE A1791 8.335 5.328 -33.801 1.00 0.00 C ATOM 297 C PHE A1791 7.621 4.103 -33.201 1.00 0.00 C ATOM 298 O PHE A1791 7.363 3.128 -33.907 1.00 0.00 O ATOM 299 CB PHE A1791 9.858 5.259 -33.601 1.00 0.00 C ATOM 300 CG PHE A1791 10.669 6.463 -34.073 1.00 0.00 C ATOM 301 CD1 PHE A1791 10.233 7.276 -35.141 1.00 0.00 C ATOM 302 CD2 PHE A1791 11.886 6.773 -33.430 1.00 0.00 C ATOM 303 CE1 PHE A1791 10.978 8.405 -35.535 1.00 0.00 C ATOM 304 CE2 PHE A1791 12.633 7.902 -33.823 1.00 0.00 C ATOM 305 CZ PHE A1791 12.174 8.722 -34.870 1.00 0.00 C ATOM 0 H PHE A1791 8.495 7.064 -32.640 1.00 0.00 H new ATOM 0 HA PHE A1791 8.120 5.306 -34.869 1.00 0.00 H new ATOM 0 HB2 PHE A1791 10.055 5.112 -32.539 1.00 0.00 H new ATOM 0 HB3 PHE A1791 10.229 4.375 -34.119 1.00 0.00 H new ATOM 0 HD1 PHE A1791 9.319 7.030 -35.661 1.00 0.00 H new ATOM 0 HD2 PHE A1791 12.247 6.142 -32.632 1.00 0.00 H new ATOM 0 HE1 PHE A1791 10.630 9.026 -36.347 1.00 0.00 H new ATOM 0 HE2 PHE A1791 13.559 8.138 -33.320 1.00 0.00 H new ATOM 0 HZ PHE A1791 12.740 9.594 -35.162 1.00 0.00 H new ATOM 315 N ASP A1792 7.227 4.163 -31.928 1.00 0.00 N ATOM 316 CA ASP A1792 6.358 3.168 -31.289 1.00 0.00 C ATOM 317 C ASP A1792 4.995 3.061 -31.999 1.00 0.00 C ATOM 318 O ASP A1792 4.559 1.957 -32.320 1.00 0.00 O ATOM 319 CB ASP A1792 6.195 3.494 -29.800 1.00 0.00 C ATOM 320 CG ASP A1792 5.334 2.441 -29.080 1.00 0.00 C ATOM 321 OD1 ASP A1792 5.850 1.332 -28.793 1.00 0.00 O ATOM 322 OD2 ASP A1792 4.149 2.722 -28.779 1.00 0.00 O ATOM 0 H ASP A1792 7.506 4.916 -31.300 1.00 0.00 H new ATOM 0 HA ASP A1792 6.833 2.191 -31.378 1.00 0.00 H new ATOM 0 HB2 ASP A1792 7.177 3.546 -29.329 1.00 0.00 H new ATOM 0 HB3 ASP A1792 5.736 4.477 -29.690 1.00 0.00 H new ATOM 327 N MET A1793 4.349 4.193 -32.319 1.00 0.00 N ATOM 328 CA MET A1793 3.134 4.243 -33.154 1.00 0.00 C ATOM 329 C MET A1793 3.368 3.634 -34.545 1.00 0.00 C ATOM 330 O MET A1793 2.548 2.836 -34.997 1.00 0.00 O ATOM 331 CB MET A1793 2.593 5.686 -33.201 1.00 0.00 C ATOM 332 CG MET A1793 1.430 5.912 -34.185 1.00 0.00 C ATOM 333 SD MET A1793 1.880 6.420 -35.873 1.00 0.00 S ATOM 334 CE MET A1793 2.589 8.066 -35.567 1.00 0.00 C ATOM 0 H MET A1793 4.658 5.112 -32.002 1.00 0.00 H new ATOM 0 HA MET A1793 2.364 3.620 -32.699 1.00 0.00 H new ATOM 0 HB2 MET A1793 2.263 5.967 -32.201 1.00 0.00 H new ATOM 0 HB3 MET A1793 3.410 6.356 -33.467 1.00 0.00 H new ATOM 0 HG2 MET A1793 0.853 4.989 -34.249 1.00 0.00 H new ATOM 0 HG3 MET A1793 0.771 6.671 -33.765 1.00 0.00 H new ATOM 0 HE1 MET A1793 2.632 8.624 -36.503 1.00 0.00 H new ATOM 0 HE2 MET A1793 1.966 8.603 -34.852 1.00 0.00 H new ATOM 0 HE3 MET A1793 3.595 7.959 -35.162 1.00 0.00 H new ATOM 344 N PHE A1794 4.498 3.931 -35.196 1.00 0.00 N ATOM 345 CA PHE A1794 4.881 3.313 -36.470 1.00 0.00 C ATOM 346 C PHE A1794 4.937 1.779 -36.366 1.00 0.00 C ATOM 347 O PHE A1794 4.236 1.089 -37.107 1.00 0.00 O ATOM 348 CB PHE A1794 6.194 3.923 -36.988 1.00 0.00 C ATOM 349 CG PHE A1794 6.584 3.515 -38.400 1.00 0.00 C ATOM 350 CD1 PHE A1794 7.293 2.318 -38.618 1.00 0.00 C ATOM 351 CD2 PHE A1794 6.270 4.344 -39.493 1.00 0.00 C ATOM 352 CE1 PHE A1794 7.696 1.963 -39.920 1.00 0.00 C ATOM 353 CE2 PHE A1794 6.697 4.003 -40.788 1.00 0.00 C ATOM 354 CZ PHE A1794 7.414 2.812 -41.004 1.00 0.00 C ATOM 0 H PHE A1794 5.176 4.611 -34.852 1.00 0.00 H new ATOM 0 HA PHE A1794 4.108 3.533 -37.206 1.00 0.00 H new ATOM 0 HB2 PHE A1794 6.111 5.009 -36.951 1.00 0.00 H new ATOM 0 HB3 PHE A1794 6.999 3.641 -36.310 1.00 0.00 H new ATOM 0 HD1 PHE A1794 7.528 1.671 -37.786 1.00 0.00 H new ATOM 0 HD2 PHE A1794 5.698 5.247 -39.336 1.00 0.00 H new ATOM 0 HE1 PHE A1794 8.223 1.035 -40.086 1.00 0.00 H new ATOM 0 HE2 PHE A1794 6.474 4.656 -41.619 1.00 0.00 H new ATOM 0 HZ PHE A1794 7.746 2.551 -41.998 1.00 0.00 H new ATOM 364 N TYR A1795 5.735 1.231 -35.441 1.00 0.00 N ATOM 365 CA TYR A1795 5.882 -0.219 -35.246 1.00 0.00 C ATOM 366 C TYR A1795 4.603 -0.935 -34.758 1.00 0.00 C ATOM 367 O TYR A1795 4.374 -2.086 -35.133 1.00 0.00 O ATOM 368 CB TYR A1795 7.066 -0.518 -34.320 1.00 0.00 C ATOM 369 CG TYR A1795 8.426 -0.385 -34.990 1.00 0.00 C ATOM 370 CD1 TYR A1795 8.794 -1.298 -36.000 1.00 0.00 C ATOM 371 CD2 TYR A1795 9.318 0.637 -34.616 1.00 0.00 C ATOM 372 CE1 TYR A1795 10.041 -1.177 -36.643 1.00 0.00 C ATOM 373 CE2 TYR A1795 10.561 0.772 -35.269 1.00 0.00 C ATOM 374 CZ TYR A1795 10.927 -0.137 -36.287 1.00 0.00 C ATOM 375 OH TYR A1795 12.131 -0.001 -36.909 1.00 0.00 O ATOM 0 H TYR A1795 6.303 1.786 -34.800 1.00 0.00 H new ATOM 0 HA TYR A1795 6.077 -0.631 -36.236 1.00 0.00 H new ATOM 0 HB2 TYR A1795 7.026 0.158 -33.466 1.00 0.00 H new ATOM 0 HB3 TYR A1795 6.962 -1.531 -33.930 1.00 0.00 H new ATOM 0 HD1 TYR A1795 8.118 -2.092 -36.281 1.00 0.00 H new ATOM 0 HD2 TYR A1795 9.050 1.322 -33.825 1.00 0.00 H new ATOM 0 HE1 TYR A1795 10.321 -1.882 -37.411 1.00 0.00 H new ATOM 0 HE2 TYR A1795 11.233 1.570 -34.991 1.00 0.00 H new ATOM 0 HH TYR A1795 12.607 0.770 -36.536 1.00 0.00 H new ATOM 385 N GLU A1796 3.742 -0.277 -33.977 1.00 0.00 N ATOM 386 CA GLU A1796 2.424 -0.809 -33.584 1.00 0.00 C ATOM 387 C GLU A1796 1.541 -1.072 -34.819 1.00 0.00 C ATOM 388 O GLU A1796 0.995 -2.166 -34.992 1.00 0.00 O ATOM 389 CB GLU A1796 1.750 0.178 -32.610 1.00 0.00 C ATOM 390 CG GLU A1796 0.403 -0.298 -32.043 1.00 0.00 C ATOM 391 CD GLU A1796 0.571 -1.452 -31.041 1.00 0.00 C ATOM 392 OE1 GLU A1796 0.806 -1.187 -29.837 1.00 0.00 O ATOM 393 OE2 GLU A1796 0.451 -2.639 -31.437 1.00 0.00 O ATOM 0 H GLU A1796 3.937 0.648 -33.594 1.00 0.00 H new ATOM 0 HA GLU A1796 2.558 -1.767 -33.081 1.00 0.00 H new ATOM 0 HB2 GLU A1796 2.430 0.370 -31.780 1.00 0.00 H new ATOM 0 HB3 GLU A1796 1.597 1.127 -33.124 1.00 0.00 H new ATOM 0 HG2 GLU A1796 -0.098 0.537 -31.553 1.00 0.00 H new ATOM 0 HG3 GLU A1796 -0.241 -0.620 -32.862 1.00 0.00 H new ATOM 400 N ILE A1797 1.418 -0.077 -35.705 1.00 0.00 N ATOM 401 CA ILE A1797 0.636 -0.175 -36.950 1.00 0.00 C ATOM 402 C ILE A1797 1.317 -1.105 -37.979 1.00 0.00 C ATOM 403 O ILE A1797 0.625 -1.821 -38.702 1.00 0.00 O ATOM 404 CB ILE A1797 0.366 1.243 -37.507 1.00 0.00 C ATOM 405 CG1 ILE A1797 -0.417 2.138 -36.512 1.00 0.00 C ATOM 406 CG2 ILE A1797 -0.386 1.205 -38.846 1.00 0.00 C ATOM 407 CD1 ILE A1797 -1.819 1.646 -36.114 1.00 0.00 C ATOM 0 H ILE A1797 1.863 0.832 -35.579 1.00 0.00 H new ATOM 0 HA ILE A1797 -0.327 -0.636 -36.731 1.00 0.00 H new ATOM 0 HB ILE A1797 1.352 1.681 -37.663 1.00 0.00 H new ATOM 0 HG12 ILE A1797 0.179 2.245 -35.605 1.00 0.00 H new ATOM 0 HG13 ILE A1797 -0.514 3.132 -36.949 1.00 0.00 H new ATOM 0 HG21 ILE A1797 -0.553 2.223 -39.198 1.00 0.00 H new ATOM 0 HG22 ILE A1797 0.206 0.659 -39.581 1.00 0.00 H new ATOM 0 HG23 ILE A1797 -1.345 0.706 -38.710 1.00 0.00 H new ATOM 0 HD11 ILE A1797 -2.268 2.352 -35.416 1.00 0.00 H new ATOM 0 HD12 ILE A1797 -2.444 1.569 -37.004 1.00 0.00 H new ATOM 0 HD13 ILE A1797 -1.740 0.668 -35.640 1.00 0.00 H new ATOM 419 N TRP A1798 2.655 -1.147 -38.027 1.00 0.00 N ATOM 420 CA TRP A1798 3.455 -1.964 -38.961 1.00 0.00 C ATOM 421 C TRP A1798 3.066 -3.451 -38.966 1.00 0.00 C ATOM 422 O TRP A1798 2.862 -4.041 -40.032 1.00 0.00 O ATOM 423 CB TRP A1798 4.947 -1.798 -38.627 1.00 0.00 C ATOM 424 CG TRP A1798 5.875 -2.624 -39.462 1.00 0.00 C ATOM 425 CD1 TRP A1798 6.377 -3.829 -39.111 1.00 0.00 C ATOM 426 CD2 TRP A1798 6.365 -2.357 -40.805 1.00 0.00 C ATOM 427 NE1 TRP A1798 7.110 -4.342 -40.160 1.00 0.00 N ATOM 428 CE2 TRP A1798 7.123 -3.483 -41.237 1.00 0.00 C ATOM 429 CE3 TRP A1798 6.231 -1.289 -41.713 1.00 0.00 C ATOM 430 CZ2 TRP A1798 7.687 -3.562 -42.515 1.00 0.00 C ATOM 431 CZ3 TRP A1798 6.815 -1.344 -42.992 1.00 0.00 C ATOM 432 CH2 TRP A1798 7.538 -2.481 -43.396 1.00 0.00 C ATOM 0 H TRP A1798 3.235 -0.595 -37.395 1.00 0.00 H new ATOM 0 HA TRP A1798 3.247 -1.600 -39.967 1.00 0.00 H new ATOM 0 HB2 TRP A1798 5.216 -0.748 -38.742 1.00 0.00 H new ATOM 0 HB3 TRP A1798 5.100 -2.053 -37.578 1.00 0.00 H new ATOM 0 HD1 TRP A1798 6.227 -4.314 -38.158 1.00 0.00 H new ATOM 0 HE1 TRP A1798 7.584 -5.245 -40.141 1.00 0.00 H new ATOM 0 HE3 TRP A1798 5.670 -0.413 -41.423 1.00 0.00 H new ATOM 0 HZ2 TRP A1798 8.230 -4.444 -42.819 1.00 0.00 H new ATOM 0 HZ3 TRP A1798 6.707 -0.508 -43.668 1.00 0.00 H new ATOM 0 HH2 TRP A1798 7.977 -2.521 -44.382 1.00 0.00 H new ATOM 443 N GLU A1799 2.915 -4.072 -37.793 1.00 0.00 N ATOM 444 CA GLU A1799 2.620 -5.509 -37.656 1.00 0.00 C ATOM 445 C GLU A1799 1.258 -5.932 -38.243 1.00 0.00 C ATOM 446 O GLU A1799 1.048 -7.118 -38.513 1.00 0.00 O ATOM 447 CB GLU A1799 2.714 -5.938 -36.184 1.00 0.00 C ATOM 448 CG GLU A1799 4.152 -5.867 -35.654 1.00 0.00 C ATOM 449 CD GLU A1799 4.238 -6.438 -34.220 1.00 0.00 C ATOM 450 OE1 GLU A1799 4.058 -5.676 -33.237 1.00 0.00 O ATOM 451 OE2 GLU A1799 4.504 -7.658 -34.067 1.00 0.00 O ATOM 0 H GLU A1799 2.994 -3.589 -36.898 1.00 0.00 H new ATOM 0 HA GLU A1799 3.378 -6.023 -38.247 1.00 0.00 H new ATOM 0 HB2 GLU A1799 2.073 -5.298 -35.578 1.00 0.00 H new ATOM 0 HB3 GLU A1799 2.339 -6.956 -36.079 1.00 0.00 H new ATOM 0 HG2 GLU A1799 4.815 -6.427 -36.313 1.00 0.00 H new ATOM 0 HG3 GLU A1799 4.496 -4.833 -35.659 1.00 0.00 H new ATOM 458 N LYS A1800 0.351 -4.977 -38.517 1.00 0.00 N ATOM 459 CA LYS A1800 -0.921 -5.204 -39.230 1.00 0.00 C ATOM 460 C LYS A1800 -0.721 -5.515 -40.721 1.00 0.00 C ATOM 461 O LYS A1800 -1.599 -6.117 -41.343 1.00 0.00 O ATOM 462 CB LYS A1800 -1.855 -3.993 -39.053 1.00 0.00 C ATOM 463 CG LYS A1800 -2.108 -3.639 -37.580 1.00 0.00 C ATOM 464 CD LYS A1800 -3.153 -2.525 -37.447 1.00 0.00 C ATOM 465 CE LYS A1800 -3.397 -2.201 -35.967 1.00 0.00 C ATOM 466 NZ LYS A1800 -4.502 -1.227 -35.800 1.00 0.00 N ATOM 0 H LYS A1800 0.484 -4.004 -38.243 1.00 0.00 H new ATOM 0 HA LYS A1800 -1.382 -6.086 -38.785 1.00 0.00 H new ATOM 0 HB2 LYS A1800 -1.422 -3.130 -39.559 1.00 0.00 H new ATOM 0 HB3 LYS A1800 -2.808 -4.202 -39.539 1.00 0.00 H new ATOM 0 HG2 LYS A1800 -2.448 -4.525 -37.044 1.00 0.00 H new ATOM 0 HG3 LYS A1800 -1.175 -3.323 -37.114 1.00 0.00 H new ATOM 0 HD2 LYS A1800 -2.812 -1.632 -37.971 1.00 0.00 H new ATOM 0 HD3 LYS A1800 -4.086 -2.834 -37.918 1.00 0.00 H new ATOM 0 HE2 LYS A1800 -3.634 -3.118 -35.427 1.00 0.00 H new ATOM 0 HE3 LYS A1800 -2.485 -1.798 -35.526 1.00 0.00 H new ATOM 0 HZ1 LYS A1800 -4.641 -1.030 -34.788 1.00 0.00 H new ATOM 0 HZ2 LYS A1800 -4.264 -0.344 -36.295 1.00 0.00 H new ATOM 0 HZ3 LYS A1800 -5.377 -1.623 -36.199 1.00 0.00 H new ATOM 480 N PHE A1801 0.437 -5.147 -41.281 1.00 0.00 N ATOM 481 CA PHE A1801 0.836 -5.335 -42.688 1.00 0.00 C ATOM 482 C PHE A1801 2.052 -6.262 -42.851 1.00 0.00 C ATOM 483 O PHE A1801 2.246 -6.832 -43.925 1.00 0.00 O ATOM 484 CB PHE A1801 1.077 -3.957 -43.314 1.00 0.00 C ATOM 485 CG PHE A1801 -0.122 -3.042 -43.176 1.00 0.00 C ATOM 486 CD1 PHE A1801 -1.168 -3.118 -44.110 1.00 0.00 C ATOM 487 CD2 PHE A1801 -0.224 -2.178 -42.073 1.00 0.00 C ATOM 488 CE1 PHE A1801 -2.316 -2.329 -43.943 1.00 0.00 C ATOM 489 CE2 PHE A1801 -1.381 -1.397 -41.896 1.00 0.00 C ATOM 490 CZ PHE A1801 -2.424 -1.469 -42.835 1.00 0.00 C ATOM 0 H PHE A1801 1.165 -4.683 -40.737 1.00 0.00 H new ATOM 0 HA PHE A1801 0.026 -5.841 -43.214 1.00 0.00 H new ATOM 0 HB2 PHE A1801 1.942 -3.492 -42.840 1.00 0.00 H new ATOM 0 HB3 PHE A1801 1.319 -4.078 -44.370 1.00 0.00 H new ATOM 0 HD1 PHE A1801 -1.089 -3.784 -44.957 1.00 0.00 H new ATOM 0 HD2 PHE A1801 0.585 -2.113 -41.361 1.00 0.00 H new ATOM 0 HE1 PHE A1801 -3.117 -2.382 -44.665 1.00 0.00 H new ATOM 0 HE2 PHE A1801 -1.467 -0.744 -41.040 1.00 0.00 H new ATOM 0 HZ PHE A1801 -3.309 -0.864 -42.706 1.00 0.00 H new ATOM 500 N ASP A1802 2.810 -6.485 -41.772 1.00 0.00 N ATOM 501 CA ASP A1802 3.911 -7.447 -41.666 1.00 0.00 C ATOM 502 C ASP A1802 3.604 -8.547 -40.616 1.00 0.00 C ATOM 503 O ASP A1802 4.137 -8.515 -39.497 1.00 0.00 O ATOM 504 CB ASP A1802 5.206 -6.686 -41.365 1.00 0.00 C ATOM 505 CG ASP A1802 6.451 -7.583 -41.257 1.00 0.00 C ATOM 506 OD1 ASP A1802 6.407 -8.761 -41.682 1.00 0.00 O ATOM 507 OD2 ASP A1802 7.488 -7.105 -40.736 1.00 0.00 O ATOM 0 H ASP A1802 2.664 -5.971 -40.903 1.00 0.00 H new ATOM 0 HA ASP A1802 4.034 -7.972 -42.613 1.00 0.00 H new ATOM 0 HB2 ASP A1802 5.371 -5.947 -42.149 1.00 0.00 H new ATOM 0 HB3 ASP A1802 5.084 -6.138 -40.431 1.00 0.00 H new ATOM 512 N PRO A1803 2.754 -9.539 -40.953 1.00 0.00 N ATOM 513 CA PRO A1803 2.452 -10.670 -40.074 1.00 0.00 C ATOM 514 C PRO A1803 3.624 -11.663 -39.949 1.00 0.00 C ATOM 515 O PRO A1803 3.673 -12.460 -39.008 1.00 0.00 O ATOM 516 CB PRO A1803 1.216 -11.328 -40.686 1.00 0.00 C ATOM 517 CG PRO A1803 1.378 -11.054 -42.180 1.00 0.00 C ATOM 518 CD PRO A1803 2.008 -9.664 -42.202 1.00 0.00 C ATOM 0 HA PRO A1803 2.277 -10.334 -39.052 1.00 0.00 H new ATOM 0 HB2 PRO A1803 1.182 -12.397 -40.474 1.00 0.00 H new ATOM 0 HB3 PRO A1803 0.295 -10.896 -40.295 1.00 0.00 H new ATOM 0 HG2 PRO A1803 2.017 -11.795 -42.660 1.00 0.00 H new ATOM 0 HG3 PRO A1803 0.421 -11.073 -42.701 1.00 0.00 H new ATOM 0 HD2 PRO A1803 2.667 -9.548 -43.063 1.00 0.00 H new ATOM 0 HD3 PRO A1803 1.244 -8.891 -42.279 1.00 0.00 H new ATOM 526 N GLU A1804 4.591 -11.611 -40.871 1.00 0.00 N ATOM 527 CA GLU A1804 5.833 -12.400 -40.850 1.00 0.00 C ATOM 528 C GLU A1804 6.882 -11.858 -39.848 1.00 0.00 C ATOM 529 O GLU A1804 7.859 -12.542 -39.544 1.00 0.00 O ATOM 530 CB GLU A1804 6.454 -12.428 -42.261 1.00 0.00 C ATOM 531 CG GLU A1804 5.528 -13.012 -43.334 1.00 0.00 C ATOM 532 CD GLU A1804 6.270 -13.140 -44.682 1.00 0.00 C ATOM 533 OE1 GLU A1804 6.293 -12.155 -45.461 1.00 0.00 O ATOM 534 OE2 GLU A1804 6.833 -14.227 -44.976 1.00 0.00 O ATOM 0 H GLU A1804 4.531 -10.997 -41.683 1.00 0.00 H new ATOM 0 HA GLU A1804 5.560 -13.403 -40.524 1.00 0.00 H new ATOM 0 HB2 GLU A1804 6.730 -11.413 -42.546 1.00 0.00 H new ATOM 0 HB3 GLU A1804 7.374 -13.012 -42.231 1.00 0.00 H new ATOM 0 HG2 GLU A1804 5.167 -13.991 -43.017 1.00 0.00 H new ATOM 0 HG3 GLU A1804 4.653 -12.373 -43.454 1.00 0.00 H new ATOM 541 N ALA A1805 6.700 -10.626 -39.344 1.00 0.00 N ATOM 542 CA ALA A1805 7.709 -9.798 -38.661 1.00 0.00 C ATOM 543 C ALA A1805 9.043 -9.651 -39.434 1.00 0.00 C ATOM 544 O ALA A1805 10.093 -9.385 -38.845 1.00 0.00 O ATOM 545 CB ALA A1805 7.883 -10.283 -37.216 1.00 0.00 C ATOM 0 H ALA A1805 5.797 -10.156 -39.405 1.00 0.00 H new ATOM 0 HA ALA A1805 7.331 -8.776 -38.634 1.00 0.00 H new ATOM 0 HB1 ALA A1805 8.630 -9.669 -36.713 1.00 0.00 H new ATOM 0 HB2 ALA A1805 6.933 -10.203 -36.688 1.00 0.00 H new ATOM 0 HB3 ALA A1805 8.210 -11.323 -37.218 1.00 0.00 H new ATOM 551 N THR A1806 9.029 -9.852 -40.756 1.00 0.00 N ATOM 552 CA THR A1806 10.221 -9.922 -41.624 1.00 0.00 C ATOM 553 C THR A1806 10.881 -8.556 -41.889 1.00 0.00 C ATOM 554 O THR A1806 11.999 -8.493 -42.401 1.00 0.00 O ATOM 555 CB THR A1806 9.875 -10.671 -42.929 1.00 0.00 C ATOM 556 OG1 THR A1806 11.036 -11.125 -43.589 1.00 0.00 O ATOM 557 CG2 THR A1806 9.043 -9.866 -43.929 1.00 0.00 C ATOM 0 H THR A1806 8.159 -9.975 -41.274 1.00 0.00 H new ATOM 0 HA THR A1806 10.980 -10.488 -41.084 1.00 0.00 H new ATOM 0 HB THR A1806 9.264 -11.509 -42.593 1.00 0.00 H new ATOM 0 HG1 THR A1806 11.768 -10.491 -43.437 1.00 0.00 H new ATOM 0 HG21 THR A1806 8.849 -10.473 -44.813 1.00 0.00 H new ATOM 0 HG22 THR A1806 8.096 -9.582 -43.469 1.00 0.00 H new ATOM 0 HG23 THR A1806 9.590 -8.968 -44.218 1.00 0.00 H new ATOM 565 N GLN A1807 10.225 -7.452 -41.503 1.00 0.00 N ATOM 566 CA GLN A1807 10.631 -6.055 -41.729 1.00 0.00 C ATOM 567 C GLN A1807 10.631 -5.648 -43.222 1.00 0.00 C ATOM 568 O GLN A1807 11.310 -4.700 -43.616 1.00 0.00 O ATOM 569 CB GLN A1807 11.936 -5.711 -40.977 1.00 0.00 C ATOM 570 CG GLN A1807 11.841 -5.940 -39.453 1.00 0.00 C ATOM 571 CD GLN A1807 12.946 -6.854 -38.913 1.00 0.00 C ATOM 572 OE1 GLN A1807 14.103 -6.470 -38.770 1.00 0.00 O ATOM 573 NE2 GLN A1807 12.635 -8.087 -38.565 1.00 0.00 N ATOM 0 H GLN A1807 9.343 -7.513 -40.994 1.00 0.00 H new ATOM 0 HA GLN A1807 9.858 -5.426 -41.288 1.00 0.00 H new ATOM 0 HB2 GLN A1807 12.749 -6.316 -41.378 1.00 0.00 H new ATOM 0 HB3 GLN A1807 12.192 -4.668 -41.166 1.00 0.00 H new ATOM 0 HG2 GLN A1807 11.892 -4.978 -38.943 1.00 0.00 H new ATOM 0 HG3 GLN A1807 10.870 -6.375 -39.217 1.00 0.00 H new ATOM 0 HE21 GLN A1807 11.678 -8.423 -38.677 1.00 0.00 H new ATOM 0 HE22 GLN A1807 13.351 -8.705 -38.184 1.00 0.00 H new ATOM 582 N PHE A1808 9.805 -6.319 -44.037 1.00 0.00 N ATOM 583 CA PHE A1808 9.493 -5.985 -45.432 1.00 0.00 C ATOM 584 C PHE A1808 7.972 -6.085 -45.686 1.00 0.00 C ATOM 585 O PHE A1808 7.334 -7.014 -45.177 1.00 0.00 O ATOM 586 CB PHE A1808 10.239 -6.942 -46.383 1.00 0.00 C ATOM 587 CG PHE A1808 11.745 -7.012 -46.195 1.00 0.00 C ATOM 588 CD1 PHE A1808 12.571 -5.964 -46.644 1.00 0.00 C ATOM 589 CD2 PHE A1808 12.330 -8.128 -45.566 1.00 0.00 C ATOM 590 CE1 PHE A1808 13.964 -6.020 -46.435 1.00 0.00 C ATOM 591 CE2 PHE A1808 13.721 -8.192 -45.366 1.00 0.00 C ATOM 592 CZ PHE A1808 14.536 -7.129 -45.795 1.00 0.00 C ATOM 0 H PHE A1808 9.311 -7.154 -43.723 1.00 0.00 H new ATOM 0 HA PHE A1808 9.816 -4.961 -45.622 1.00 0.00 H new ATOM 0 HB2 PHE A1808 9.828 -7.944 -46.257 1.00 0.00 H new ATOM 0 HB3 PHE A1808 10.033 -6.639 -47.410 1.00 0.00 H new ATOM 0 HD1 PHE A1808 12.136 -5.115 -47.150 1.00 0.00 H new ATOM 0 HD2 PHE A1808 11.704 -8.943 -45.234 1.00 0.00 H new ATOM 0 HE1 PHE A1808 14.592 -5.207 -46.768 1.00 0.00 H new ATOM 0 HE2 PHE A1808 14.161 -9.053 -44.885 1.00 0.00 H new ATOM 0 HZ PHE A1808 15.603 -7.167 -45.631 1.00 0.00 H new ATOM 602 N ILE A1809 7.399 -5.184 -46.496 1.00 0.00 N ATOM 603 CA ILE A1809 6.010 -5.266 -47.006 1.00 0.00 C ATOM 604 C ILE A1809 5.940 -4.959 -48.502 1.00 0.00 C ATOM 605 O ILE A1809 6.854 -4.347 -49.048 1.00 0.00 O ATOM 606 CB ILE A1809 5.029 -4.353 -46.231 1.00 0.00 C ATOM 607 CG1 ILE A1809 5.343 -2.845 -46.400 1.00 0.00 C ATOM 608 CG2 ILE A1809 4.941 -4.783 -44.758 1.00 0.00 C ATOM 609 CD1 ILE A1809 4.345 -1.910 -45.696 1.00 0.00 C ATOM 0 H ILE A1809 7.894 -4.356 -46.827 1.00 0.00 H new ATOM 0 HA ILE A1809 5.696 -6.297 -46.843 1.00 0.00 H new ATOM 0 HB ILE A1809 4.041 -4.484 -46.673 1.00 0.00 H new ATOM 0 HG12 ILE A1809 6.343 -2.648 -46.013 1.00 0.00 H new ATOM 0 HG13 ILE A1809 5.360 -2.606 -47.463 1.00 0.00 H new ATOM 0 HG21 ILE A1809 4.247 -4.130 -44.229 1.00 0.00 H new ATOM 0 HG22 ILE A1809 4.587 -5.812 -44.700 1.00 0.00 H new ATOM 0 HG23 ILE A1809 5.927 -4.712 -44.299 1.00 0.00 H new ATOM 0 HD11 ILE A1809 4.637 -0.873 -45.864 1.00 0.00 H new ATOM 0 HD12 ILE A1809 3.346 -2.075 -46.098 1.00 0.00 H new ATOM 0 HD13 ILE A1809 4.344 -2.118 -44.626 1.00 0.00 H new ATOM 621 N GLU A1810 4.856 -5.358 -49.167 1.00 0.00 N ATOM 622 CA GLU A1810 4.615 -5.087 -50.590 1.00 0.00 C ATOM 623 C GLU A1810 4.162 -3.637 -50.848 1.00 0.00 C ATOM 624 O GLU A1810 3.453 -3.034 -50.035 1.00 0.00 O ATOM 625 CB GLU A1810 3.552 -6.038 -51.169 1.00 0.00 C ATOM 626 CG GLU A1810 3.874 -7.534 -51.060 1.00 0.00 C ATOM 627 CD GLU A1810 3.415 -8.144 -49.719 1.00 0.00 C ATOM 628 OE1 GLU A1810 2.245 -8.583 -49.611 1.00 0.00 O ATOM 629 OE2 GLU A1810 4.238 -8.227 -48.779 1.00 0.00 O ATOM 0 H GLU A1810 4.105 -5.889 -48.726 1.00 0.00 H new ATOM 0 HA GLU A1810 5.572 -5.249 -51.086 1.00 0.00 H new ATOM 0 HB2 GLU A1810 2.606 -5.850 -50.661 1.00 0.00 H new ATOM 0 HB3 GLU A1810 3.404 -5.792 -52.220 1.00 0.00 H new ATOM 0 HG2 GLU A1810 3.393 -8.066 -51.881 1.00 0.00 H new ATOM 0 HG3 GLU A1810 4.948 -7.680 -51.172 1.00 0.00 H new ATOM 636 N TYR A1811 4.479 -3.094 -52.026 1.00 0.00 N ATOM 637 CA TYR A1811 4.032 -1.750 -52.444 1.00 0.00 C ATOM 638 C TYR A1811 2.493 -1.612 -52.481 1.00 0.00 C ATOM 639 O TYR A1811 1.945 -0.550 -52.182 1.00 0.00 O ATOM 640 CB TYR A1811 4.636 -1.424 -53.820 1.00 0.00 C ATOM 641 CG TYR A1811 4.764 0.060 -54.095 1.00 0.00 C ATOM 642 CD1 TYR A1811 5.851 0.782 -53.555 1.00 0.00 C ATOM 643 CD2 TYR A1811 3.814 0.726 -54.897 1.00 0.00 C ATOM 644 CE1 TYR A1811 5.992 2.157 -53.828 1.00 0.00 C ATOM 645 CE2 TYR A1811 3.956 2.102 -55.163 1.00 0.00 C ATOM 646 CZ TYR A1811 5.044 2.822 -54.628 1.00 0.00 C ATOM 647 OH TYR A1811 5.191 4.145 -54.898 1.00 0.00 O ATOM 0 H TYR A1811 5.053 -3.569 -52.722 1.00 0.00 H new ATOM 0 HA TYR A1811 4.384 -1.036 -51.699 1.00 0.00 H new ATOM 0 HB2 TYR A1811 5.622 -1.884 -53.892 1.00 0.00 H new ATOM 0 HB3 TYR A1811 4.016 -1.876 -54.595 1.00 0.00 H new ATOM 0 HD1 TYR A1811 6.576 0.279 -52.932 1.00 0.00 H new ATOM 0 HD2 TYR A1811 2.977 0.181 -55.307 1.00 0.00 H new ATOM 0 HE1 TYR A1811 6.831 2.703 -53.422 1.00 0.00 H new ATOM 0 HE2 TYR A1811 3.228 2.608 -55.780 1.00 0.00 H new ATOM 0 HH TYR A1811 6.144 4.373 -54.906 1.00 0.00 H new ATOM 657 N SER A1812 1.796 -2.708 -52.804 1.00 0.00 N ATOM 658 CA SER A1812 0.331 -2.834 -52.827 1.00 0.00 C ATOM 659 C SER A1812 -0.350 -2.749 -51.451 1.00 0.00 C ATOM 660 O SER A1812 -1.562 -2.545 -51.399 1.00 0.00 O ATOM 661 CB SER A1812 -0.053 -4.160 -53.494 1.00 0.00 C ATOM 662 OG SER A1812 0.563 -5.258 -52.834 1.00 0.00 O ATOM 0 H SER A1812 2.261 -3.576 -53.070 1.00 0.00 H new ATOM 0 HA SER A1812 -0.029 -1.974 -53.392 1.00 0.00 H new ATOM 0 HB2 SER A1812 -1.136 -4.281 -53.475 1.00 0.00 H new ATOM 0 HB3 SER A1812 0.248 -4.145 -54.542 1.00 0.00 H new ATOM 0 HG SER A1812 0.302 -6.093 -53.276 1.00 0.00 H new ATOM 668 N VAL A1813 0.398 -2.851 -50.342 1.00 0.00 N ATOM 669 CA VAL A1813 -0.105 -2.647 -48.966 1.00 0.00 C ATOM 670 C VAL A1813 0.567 -1.476 -48.236 1.00 0.00 C ATOM 671 O VAL A1813 -0.002 -0.957 -47.277 1.00 0.00 O ATOM 672 CB VAL A1813 -0.054 -3.934 -48.114 1.00 0.00 C ATOM 673 CG1 VAL A1813 -0.899 -5.056 -48.731 1.00 0.00 C ATOM 674 CG2 VAL A1813 1.362 -4.463 -47.870 1.00 0.00 C ATOM 0 H VAL A1813 1.391 -3.082 -50.372 1.00 0.00 H new ATOM 0 HA VAL A1813 -1.154 -2.378 -49.092 1.00 0.00 H new ATOM 0 HB VAL A1813 -0.468 -3.639 -47.150 1.00 0.00 H new ATOM 0 HG11 VAL A1813 -0.838 -5.945 -48.103 1.00 0.00 H new ATOM 0 HG12 VAL A1813 -1.937 -4.732 -48.802 1.00 0.00 H new ATOM 0 HG13 VAL A1813 -0.523 -5.289 -49.727 1.00 0.00 H new ATOM 0 HG21 VAL A1813 1.313 -5.368 -47.264 1.00 0.00 H new ATOM 0 HG22 VAL A1813 1.835 -4.691 -48.825 1.00 0.00 H new ATOM 0 HG23 VAL A1813 1.948 -3.707 -47.346 1.00 0.00 H new ATOM 684 N LEU A1814 1.711 -0.988 -48.730 1.00 0.00 N ATOM 685 CA LEU A1814 2.390 0.229 -48.257 1.00 0.00 C ATOM 686 C LEU A1814 1.458 1.458 -48.314 1.00 0.00 C ATOM 687 O LEU A1814 1.405 2.239 -47.366 1.00 0.00 O ATOM 688 CB LEU A1814 3.690 0.409 -49.070 1.00 0.00 C ATOM 689 CG LEU A1814 4.787 1.273 -48.412 1.00 0.00 C ATOM 690 CD1 LEU A1814 6.102 0.984 -49.136 1.00 0.00 C ATOM 691 CD2 LEU A1814 4.543 2.777 -48.517 1.00 0.00 C ATOM 0 H LEU A1814 2.208 -1.443 -49.496 1.00 0.00 H new ATOM 0 HA LEU A1814 2.655 0.127 -47.205 1.00 0.00 H new ATOM 0 HB2 LEU A1814 4.106 -0.577 -49.274 1.00 0.00 H new ATOM 0 HB3 LEU A1814 3.435 0.853 -50.032 1.00 0.00 H new ATOM 0 HG LEU A1814 4.798 1.015 -47.353 1.00 0.00 H new ATOM 0 HD11 LEU A1814 6.900 1.581 -48.694 1.00 0.00 H new ATOM 0 HD12 LEU A1814 6.345 -0.074 -49.041 1.00 0.00 H new ATOM 0 HD13 LEU A1814 6.000 1.239 -50.191 1.00 0.00 H new ATOM 0 HD21 LEU A1814 5.358 3.313 -48.031 1.00 0.00 H new ATOM 0 HD22 LEU A1814 4.495 3.065 -49.567 1.00 0.00 H new ATOM 0 HD23 LEU A1814 3.602 3.028 -48.028 1.00 0.00 H new ATOM 703 N SER A1815 0.665 1.594 -49.382 1.00 0.00 N ATOM 704 CA SER A1815 -0.370 2.631 -49.526 1.00 0.00 C ATOM 705 C SER A1815 -1.473 2.581 -48.466 1.00 0.00 C ATOM 706 O SER A1815 -1.900 3.628 -47.970 1.00 0.00 O ATOM 707 CB SER A1815 -0.977 2.560 -50.931 1.00 0.00 C ATOM 708 OG SER A1815 -1.430 1.244 -51.222 1.00 0.00 O ATOM 0 H SER A1815 0.724 0.974 -50.190 1.00 0.00 H new ATOM 0 HA SER A1815 0.134 3.585 -49.372 1.00 0.00 H new ATOM 0 HB2 SER A1815 -1.809 3.261 -51.008 1.00 0.00 H new ATOM 0 HB3 SER A1815 -0.234 2.865 -51.668 1.00 0.00 H new ATOM 0 HG SER A1815 -1.815 1.222 -52.123 1.00 0.00 H new ATOM 714 N ASP A1816 -1.905 1.386 -48.060 1.00 0.00 N ATOM 715 CA ASP A1816 -2.878 1.219 -46.974 1.00 0.00 C ATOM 716 C ASP A1816 -2.248 1.422 -45.582 1.00 0.00 C ATOM 717 O ASP A1816 -2.865 2.030 -44.706 1.00 0.00 O ATOM 718 CB ASP A1816 -3.554 -0.156 -47.095 1.00 0.00 C ATOM 719 CG ASP A1816 -4.924 -0.156 -46.395 1.00 0.00 C ATOM 720 OD1 ASP A1816 -5.816 0.601 -46.846 1.00 0.00 O ATOM 721 OD2 ASP A1816 -5.132 -0.926 -45.432 1.00 0.00 O ATOM 0 H ASP A1816 -1.592 0.507 -48.472 1.00 0.00 H new ATOM 0 HA ASP A1816 -3.635 1.997 -47.075 1.00 0.00 H new ATOM 0 HB2 ASP A1816 -3.678 -0.414 -48.147 1.00 0.00 H new ATOM 0 HB3 ASP A1816 -2.915 -0.920 -46.653 1.00 0.00 H new ATOM 726 N PHE A1817 -0.988 0.999 -45.393 1.00 0.00 N ATOM 727 CA PHE A1817 -0.168 1.268 -44.204 1.00 0.00 C ATOM 728 C PHE A1817 0.056 2.772 -43.978 1.00 0.00 C ATOM 729 O PHE A1817 -0.159 3.273 -42.871 1.00 0.00 O ATOM 730 CB PHE A1817 1.173 0.525 -44.323 1.00 0.00 C ATOM 731 CG PHE A1817 2.200 0.933 -43.283 1.00 0.00 C ATOM 732 CD1 PHE A1817 1.955 0.673 -41.923 1.00 0.00 C ATOM 733 CD2 PHE A1817 3.379 1.597 -43.664 1.00 0.00 C ATOM 734 CE1 PHE A1817 2.866 1.096 -40.939 1.00 0.00 C ATOM 735 CE2 PHE A1817 4.301 2.005 -42.685 1.00 0.00 C ATOM 736 CZ PHE A1817 4.036 1.764 -41.321 1.00 0.00 C ATOM 0 H PHE A1817 -0.496 0.440 -46.090 1.00 0.00 H new ATOM 0 HA PHE A1817 -0.710 0.900 -43.332 1.00 0.00 H new ATOM 0 HB2 PHE A1817 0.992 -0.546 -44.238 1.00 0.00 H new ATOM 0 HB3 PHE A1817 1.587 0.701 -45.316 1.00 0.00 H new ATOM 0 HD1 PHE A1817 1.060 0.144 -41.632 1.00 0.00 H new ATOM 0 HD2 PHE A1817 3.576 1.793 -44.708 1.00 0.00 H new ATOM 0 HE1 PHE A1817 2.665 0.907 -39.895 1.00 0.00 H new ATOM 0 HE2 PHE A1817 5.213 2.504 -42.977 1.00 0.00 H new ATOM 0 HZ PHE A1817 4.737 2.095 -40.569 1.00 0.00 H new ATOM 746 N ALA A1818 0.411 3.512 -45.033 1.00 0.00 N ATOM 747 CA ALA A1818 0.605 4.964 -45.012 1.00 0.00 C ATOM 748 C ALA A1818 -0.637 5.734 -44.506 1.00 0.00 C ATOM 749 O ALA A1818 -0.496 6.777 -43.864 1.00 0.00 O ATOM 750 CB ALA A1818 1.008 5.409 -46.423 1.00 0.00 C ATOM 0 H ALA A1818 0.576 3.104 -45.953 1.00 0.00 H new ATOM 0 HA ALA A1818 1.395 5.202 -44.299 1.00 0.00 H new ATOM 0 HB1 ALA A1818 1.159 6.488 -46.435 1.00 0.00 H new ATOM 0 HB2 ALA A1818 1.933 4.910 -46.712 1.00 0.00 H new ATOM 0 HB3 ALA A1818 0.219 5.145 -47.127 1.00 0.00 H new ATOM 756 N ASP A1819 -1.839 5.199 -44.742 1.00 0.00 N ATOM 757 CA ASP A1819 -3.126 5.724 -44.266 1.00 0.00 C ATOM 758 C ASP A1819 -3.621 5.099 -42.937 1.00 0.00 C ATOM 759 O ASP A1819 -4.616 5.552 -42.377 1.00 0.00 O ATOM 760 CB ASP A1819 -4.165 5.544 -45.381 1.00 0.00 C ATOM 761 CG ASP A1819 -5.495 6.262 -45.088 1.00 0.00 C ATOM 762 OD1 ASP A1819 -5.482 7.493 -44.829 1.00 0.00 O ATOM 763 OD2 ASP A1819 -6.557 5.605 -45.144 1.00 0.00 O ATOM 0 H ASP A1819 -1.948 4.349 -45.295 1.00 0.00 H new ATOM 0 HA ASP A1819 -2.981 6.779 -44.034 1.00 0.00 H new ATOM 0 HB2 ASP A1819 -3.754 5.921 -46.317 1.00 0.00 H new ATOM 0 HB3 ASP A1819 -4.357 4.480 -45.523 1.00 0.00 H new ATOM 768 N ALA A1820 -2.933 4.093 -42.388 1.00 0.00 N ATOM 769 CA ALA A1820 -3.295 3.448 -41.117 1.00 0.00 C ATOM 770 C ALA A1820 -2.645 4.116 -39.884 1.00 0.00 C ATOM 771 O ALA A1820 -3.109 3.931 -38.757 1.00 0.00 O ATOM 772 CB ALA A1820 -2.924 1.961 -41.210 1.00 0.00 C ATOM 0 H ALA A1820 -2.097 3.697 -42.818 1.00 0.00 H new ATOM 0 HA ALA A1820 -4.368 3.563 -40.967 1.00 0.00 H new ATOM 0 HB1 ALA A1820 -3.184 1.462 -40.276 1.00 0.00 H new ATOM 0 HB2 ALA A1820 -3.471 1.500 -42.032 1.00 0.00 H new ATOM 0 HB3 ALA A1820 -1.853 1.864 -41.387 1.00 0.00 H new ATOM 778 N LEU A1821 -1.581 4.897 -40.101 1.00 0.00 N ATOM 779 CA LEU A1821 -0.812 5.624 -39.086 1.00 0.00 C ATOM 780 C LEU A1821 -1.566 6.845 -38.527 1.00 0.00 C ATOM 781 O LEU A1821 -2.531 7.335 -39.126 1.00 0.00 O ATOM 782 CB LEU A1821 0.512 6.066 -39.733 1.00 0.00 C ATOM 783 CG LEU A1821 1.441 4.877 -40.058 1.00 0.00 C ATOM 784 CD1 LEU A1821 2.268 5.202 -41.295 1.00 0.00 C ATOM 785 CD2 LEU A1821 2.373 4.547 -38.899 1.00 0.00 C ATOM 0 H LEU A1821 -1.214 5.047 -41.041 1.00 0.00 H new ATOM 0 HA LEU A1821 -0.638 4.963 -38.237 1.00 0.00 H new ATOM 0 HB2 LEU A1821 0.298 6.616 -40.649 1.00 0.00 H new ATOM 0 HB3 LEU A1821 1.028 6.753 -39.062 1.00 0.00 H new ATOM 0 HG LEU A1821 0.813 4.005 -40.239 1.00 0.00 H new ATOM 0 HD11 LEU A1821 2.924 4.363 -41.525 1.00 0.00 H new ATOM 0 HD12 LEU A1821 1.603 5.385 -42.139 1.00 0.00 H new ATOM 0 HD13 LEU A1821 2.869 6.092 -41.107 1.00 0.00 H new ATOM 0 HD21 LEU A1821 3.008 3.704 -39.172 1.00 0.00 H new ATOM 0 HD22 LEU A1821 2.995 5.413 -38.675 1.00 0.00 H new ATOM 0 HD23 LEU A1821 1.783 4.287 -38.020 1.00 0.00 H new ATOM 797 N SER A1822 -1.078 7.381 -37.409 1.00 0.00 N ATOM 798 CA SER A1822 -1.448 8.718 -36.922 1.00 0.00 C ATOM 799 C SER A1822 -0.508 9.789 -37.496 1.00 0.00 C ATOM 800 O SER A1822 0.601 9.504 -37.958 1.00 0.00 O ATOM 801 CB SER A1822 -1.416 8.734 -35.389 1.00 0.00 C ATOM 802 OG SER A1822 -2.112 9.869 -34.894 1.00 0.00 O ATOM 0 H SER A1822 -0.409 6.899 -36.808 1.00 0.00 H new ATOM 0 HA SER A1822 -2.459 8.949 -37.259 1.00 0.00 H new ATOM 0 HB2 SER A1822 -1.869 7.822 -34.999 1.00 0.00 H new ATOM 0 HB3 SER A1822 -0.384 8.751 -35.040 1.00 0.00 H new ATOM 0 HG SER A1822 -2.086 9.867 -33.914 1.00 0.00 H new ATOM 808 N GLU A1823 -0.938 11.050 -37.481 1.00 0.00 N ATOM 809 CA GLU A1823 -0.085 12.193 -37.826 1.00 0.00 C ATOM 810 C GLU A1823 1.111 12.317 -36.844 1.00 0.00 C ATOM 811 O GLU A1823 0.988 11.923 -35.674 1.00 0.00 O ATOM 812 CB GLU A1823 -0.933 13.477 -37.817 1.00 0.00 C ATOM 813 CG GLU A1823 -1.972 13.502 -38.948 1.00 0.00 C ATOM 814 CD GLU A1823 -2.775 14.818 -38.917 1.00 0.00 C ATOM 815 OE1 GLU A1823 -3.795 14.895 -38.187 1.00 0.00 O ATOM 816 OE2 GLU A1823 -2.407 15.786 -39.626 1.00 0.00 O ATOM 0 H GLU A1823 -1.891 11.311 -37.229 1.00 0.00 H new ATOM 0 HA GLU A1823 0.328 12.039 -38.823 1.00 0.00 H new ATOM 0 HB2 GLU A1823 -1.443 13.566 -36.858 1.00 0.00 H new ATOM 0 HB3 GLU A1823 -0.277 14.343 -37.911 1.00 0.00 H new ATOM 0 HG2 GLU A1823 -1.472 13.397 -39.911 1.00 0.00 H new ATOM 0 HG3 GLU A1823 -2.649 12.654 -38.846 1.00 0.00 H new ATOM 823 N PRO A1824 2.264 12.876 -37.266 1.00 0.00 N ATOM 824 CA PRO A1824 2.554 13.416 -38.604 1.00 0.00 C ATOM 825 C PRO A1824 3.031 12.371 -39.636 1.00 0.00 C ATOM 826 O PRO A1824 3.169 12.705 -40.814 1.00 0.00 O ATOM 827 CB PRO A1824 3.655 14.449 -38.334 1.00 0.00 C ATOM 828 CG PRO A1824 4.480 13.784 -37.230 1.00 0.00 C ATOM 829 CD PRO A1824 3.394 13.128 -36.374 1.00 0.00 C ATOM 0 HA PRO A1824 1.649 13.820 -39.059 1.00 0.00 H new ATOM 0 HB2 PRO A1824 4.253 14.645 -39.224 1.00 0.00 H new ATOM 0 HB3 PRO A1824 3.243 15.405 -38.011 1.00 0.00 H new ATOM 0 HG2 PRO A1824 5.182 13.052 -37.630 1.00 0.00 H new ATOM 0 HG3 PRO A1824 5.064 14.509 -36.663 1.00 0.00 H new ATOM 0 HD2 PRO A1824 3.755 12.199 -35.932 1.00 0.00 H new ATOM 0 HD3 PRO A1824 3.101 13.780 -35.551 1.00 0.00 H new ATOM 837 N LEU A1825 3.285 11.115 -39.228 1.00 0.00 N ATOM 838 CA LEU A1825 3.803 10.050 -40.117 1.00 0.00 C ATOM 839 C LEU A1825 2.779 9.586 -41.176 1.00 0.00 C ATOM 840 O LEU A1825 3.162 9.095 -42.236 1.00 0.00 O ATOM 841 CB LEU A1825 4.301 8.850 -39.281 1.00 0.00 C ATOM 842 CG LEU A1825 5.349 9.189 -38.202 1.00 0.00 C ATOM 843 CD1 LEU A1825 5.833 7.910 -37.508 1.00 0.00 C ATOM 844 CD2 LEU A1825 6.577 9.901 -38.766 1.00 0.00 C ATOM 0 H LEU A1825 3.137 10.805 -38.268 1.00 0.00 H new ATOM 0 HA LEU A1825 4.638 10.483 -40.668 1.00 0.00 H new ATOM 0 HB2 LEU A1825 3.443 8.384 -38.797 1.00 0.00 H new ATOM 0 HB3 LEU A1825 4.727 8.109 -39.957 1.00 0.00 H new ATOM 0 HG LEU A1825 4.849 9.857 -37.501 1.00 0.00 H new ATOM 0 HD11 LEU A1825 6.572 8.165 -36.749 1.00 0.00 H new ATOM 0 HD12 LEU A1825 4.987 7.409 -37.037 1.00 0.00 H new ATOM 0 HD13 LEU A1825 6.284 7.245 -38.244 1.00 0.00 H new ATOM 0 HD21 LEU A1825 7.278 10.113 -37.958 1.00 0.00 H new ATOM 0 HD22 LEU A1825 7.059 9.263 -39.507 1.00 0.00 H new ATOM 0 HD23 LEU A1825 6.272 10.836 -39.236 1.00 0.00 H new ATOM 856 N ARG A1826 1.484 9.782 -40.910 1.00 0.00 N ATOM 857 CA ARG A1826 0.329 9.604 -41.804 1.00 0.00 C ATOM 858 C ARG A1826 0.484 10.319 -43.155 1.00 0.00 C ATOM 859 O ARG A1826 0.756 11.520 -43.201 1.00 0.00 O ATOM 860 CB ARG A1826 -0.893 10.126 -41.018 1.00 0.00 C ATOM 861 CG ARG A1826 -2.251 10.146 -41.724 1.00 0.00 C ATOM 862 CD ARG A1826 -2.639 8.754 -42.222 1.00 0.00 C ATOM 863 NE ARG A1826 -4.070 8.647 -42.555 1.00 0.00 N ATOM 864 CZ ARG A1826 -5.085 8.482 -41.728 1.00 0.00 C ATOM 865 NH1 ARG A1826 -4.952 8.431 -40.431 1.00 0.00 N ATOM 866 NH2 ARG A1826 -6.276 8.351 -42.232 1.00 0.00 N ATOM 0 H ARG A1826 1.189 10.096 -39.986 1.00 0.00 H new ATOM 0 HA ARG A1826 0.222 8.553 -42.074 1.00 0.00 H new ATOM 0 HB2 ARG A1826 -0.994 9.519 -40.118 1.00 0.00 H new ATOM 0 HB3 ARG A1826 -0.671 11.143 -40.694 1.00 0.00 H new ATOM 0 HG2 ARG A1826 -3.014 10.515 -41.039 1.00 0.00 H new ATOM 0 HG3 ARG A1826 -2.216 10.839 -42.565 1.00 0.00 H new ATOM 0 HD2 ARG A1826 -2.046 8.510 -43.103 1.00 0.00 H new ATOM 0 HD3 ARG A1826 -2.392 8.017 -41.457 1.00 0.00 H new ATOM 0 HE ARG A1826 -4.305 8.708 -43.546 1.00 0.00 H new ATOM 0 HH11 ARG A1826 -4.028 8.521 -40.009 1.00 0.00 H new ATOM 0 HH12 ARG A1826 -5.772 8.302 -39.839 1.00 0.00 H new ATOM 0 HH21 ARG A1826 -6.408 8.377 -43.243 1.00 0.00 H new ATOM 0 HH22 ARG A1826 -7.079 8.222 -41.616 1.00 0.00 H new ATOM 880 N ILE A1827 0.204 9.602 -44.248 1.00 0.00 N ATOM 881 CA ILE A1827 -0.047 10.134 -45.598 1.00 0.00 C ATOM 882 C ILE A1827 -1.454 9.694 -46.015 1.00 0.00 C ATOM 883 O ILE A1827 -1.661 8.583 -46.509 1.00 0.00 O ATOM 884 CB ILE A1827 1.023 9.715 -46.642 1.00 0.00 C ATOM 885 CG1 ILE A1827 2.472 9.954 -46.161 1.00 0.00 C ATOM 886 CG2 ILE A1827 0.807 10.502 -47.950 1.00 0.00 C ATOM 887 CD1 ILE A1827 3.094 8.694 -45.551 1.00 0.00 C ATOM 0 H ILE A1827 0.142 8.584 -44.217 1.00 0.00 H new ATOM 0 HA ILE A1827 0.023 11.221 -45.565 1.00 0.00 H new ATOM 0 HB ILE A1827 0.899 8.643 -46.797 1.00 0.00 H new ATOM 0 HG12 ILE A1827 3.081 10.288 -47.001 1.00 0.00 H new ATOM 0 HG13 ILE A1827 2.480 10.756 -45.422 1.00 0.00 H new ATOM 0 HG21 ILE A1827 1.559 10.206 -48.681 1.00 0.00 H new ATOM 0 HG22 ILE A1827 -0.186 10.287 -48.344 1.00 0.00 H new ATOM 0 HG23 ILE A1827 0.895 11.570 -47.751 1.00 0.00 H new ATOM 0 HD11 ILE A1827 4.112 8.911 -45.228 1.00 0.00 H new ATOM 0 HD12 ILE A1827 2.501 8.374 -44.694 1.00 0.00 H new ATOM 0 HD13 ILE A1827 3.112 7.899 -46.297 1.00 0.00 H new ATOM 899 N ALA A1828 -2.444 10.552 -45.756 1.00 0.00 N ATOM 900 CA ALA A1828 -3.852 10.278 -46.034 1.00 0.00 C ATOM 901 C ALA A1828 -4.146 10.053 -47.535 1.00 0.00 C ATOM 902 O ALA A1828 -3.521 10.665 -48.408 1.00 0.00 O ATOM 903 CB ALA A1828 -4.691 11.421 -45.452 1.00 0.00 C ATOM 0 H ALA A1828 -2.285 11.470 -45.341 1.00 0.00 H new ATOM 0 HA ALA A1828 -4.122 9.337 -45.555 1.00 0.00 H new ATOM 0 HB1 ALA A1828 -5.747 11.235 -45.650 1.00 0.00 H new ATOM 0 HB2 ALA A1828 -4.528 11.480 -44.376 1.00 0.00 H new ATOM 0 HB3 ALA A1828 -4.396 12.362 -45.916 1.00 0.00 H new ATOM 909 N LYS A1829 -5.105 9.168 -47.840 1.00 0.00 N ATOM 910 CA LYS A1829 -5.507 8.829 -49.217 1.00 0.00 C ATOM 911 C LYS A1829 -6.155 10.018 -49.966 1.00 0.00 C ATOM 912 O LYS A1829 -6.779 10.874 -49.325 1.00 0.00 O ATOM 913 CB LYS A1829 -6.492 7.642 -49.188 1.00 0.00 C ATOM 914 CG LYS A1829 -5.799 6.321 -48.833 1.00 0.00 C ATOM 915 CD LYS A1829 -6.824 5.192 -48.656 1.00 0.00 C ATOM 916 CE LYS A1829 -6.125 3.904 -48.213 1.00 0.00 C ATOM 917 NZ LYS A1829 -7.107 2.843 -47.883 1.00 0.00 N ATOM 0 H LYS A1829 -5.632 8.659 -47.130 1.00 0.00 H new ATOM 0 HA LYS A1829 -4.599 8.564 -49.760 1.00 0.00 H new ATOM 0 HB2 LYS A1829 -7.279 7.844 -48.462 1.00 0.00 H new ATOM 0 HB3 LYS A1829 -6.973 7.548 -50.162 1.00 0.00 H new ATOM 0 HG2 LYS A1829 -5.092 6.055 -49.618 1.00 0.00 H new ATOM 0 HG3 LYS A1829 -5.225 6.443 -47.915 1.00 0.00 H new ATOM 0 HD2 LYS A1829 -7.570 5.482 -47.916 1.00 0.00 H new ATOM 0 HD3 LYS A1829 -7.354 5.022 -49.593 1.00 0.00 H new ATOM 0 HE2 LYS A1829 -5.463 3.556 -49.006 1.00 0.00 H new ATOM 0 HE3 LYS A1829 -5.500 4.108 -47.343 1.00 0.00 H new ATOM 0 HZ1 LYS A1829 -6.623 2.061 -47.398 1.00 0.00 H new ATOM 0 HZ2 LYS A1829 -7.844 3.233 -47.261 1.00 0.00 H new ATOM 0 HZ3 LYS A1829 -7.544 2.490 -48.758 1.00 0.00 H new ATOM 931 N PRO A1830 -6.128 10.016 -51.317 1.00 0.00 N ATOM 932 CA PRO A1830 -5.261 9.208 -52.187 1.00 0.00 C ATOM 933 C PRO A1830 -3.768 9.514 -51.958 1.00 0.00 C ATOM 934 O PRO A1830 -3.374 10.681 -51.919 1.00 0.00 O ATOM 935 CB PRO A1830 -5.679 9.552 -53.628 1.00 0.00 C ATOM 936 CG PRO A1830 -7.067 10.174 -53.484 1.00 0.00 C ATOM 937 CD PRO A1830 -6.982 10.869 -52.125 1.00 0.00 C ATOM 0 HA PRO A1830 -5.379 8.146 -51.973 1.00 0.00 H new ATOM 0 HB2 PRO A1830 -4.978 10.248 -54.090 1.00 0.00 H new ATOM 0 HB3 PRO A1830 -5.706 8.662 -54.257 1.00 0.00 H new ATOM 0 HG2 PRO A1830 -7.280 10.879 -54.287 1.00 0.00 H new ATOM 0 HG3 PRO A1830 -7.853 9.420 -53.505 1.00 0.00 H new ATOM 0 HD2 PRO A1830 -6.562 11.871 -52.220 1.00 0.00 H new ATOM 0 HD3 PRO A1830 -7.969 10.978 -51.675 1.00 0.00 H new ATOM 945 N ASN A1831 -2.938 8.474 -51.819 1.00 0.00 N ATOM 946 CA ASN A1831 -1.491 8.579 -51.559 1.00 0.00 C ATOM 947 C ASN A1831 -0.600 7.822 -52.566 1.00 0.00 C ATOM 948 O ASN A1831 0.623 7.916 -52.480 1.00 0.00 O ATOM 949 CB ASN A1831 -1.193 8.178 -50.096 1.00 0.00 C ATOM 950 CG ASN A1831 -1.563 6.751 -49.731 1.00 0.00 C ATOM 951 OD1 ASN A1831 -1.590 5.853 -50.558 1.00 0.00 O ATOM 952 ND2 ASN A1831 -1.869 6.491 -48.483 1.00 0.00 N ATOM 0 H ASN A1831 -3.259 7.508 -51.885 1.00 0.00 H new ATOM 0 HA ASN A1831 -1.222 9.625 -51.708 1.00 0.00 H new ATOM 0 HB2 ASN A1831 -0.129 8.321 -49.906 1.00 0.00 H new ATOM 0 HB3 ASN A1831 -1.729 8.857 -49.433 1.00 0.00 H new ATOM 0 HD21 ASN A1831 -2.128 5.543 -48.208 1.00 0.00 H new ATOM 0 HD22 ASN A1831 -1.849 7.236 -47.787 1.00 0.00 H new ATOM 959 N GLN A1832 -1.164 7.114 -53.549 1.00 0.00 N ATOM 960 CA GLN A1832 -0.379 6.378 -54.554 1.00 0.00 C ATOM 961 C GLN A1832 0.614 7.264 -55.335 1.00 0.00 C ATOM 962 O GLN A1832 1.725 6.829 -55.638 1.00 0.00 O ATOM 963 CB GLN A1832 -1.316 5.595 -55.489 1.00 0.00 C ATOM 964 CG GLN A1832 -2.261 6.459 -56.347 1.00 0.00 C ATOM 965 CD GLN A1832 -3.204 5.606 -57.195 1.00 0.00 C ATOM 966 OE1 GLN A1832 -2.915 5.253 -58.332 1.00 0.00 O ATOM 967 NE2 GLN A1832 -4.363 5.231 -56.690 1.00 0.00 N ATOM 0 H GLN A1832 -2.173 7.033 -53.674 1.00 0.00 H new ATOM 0 HA GLN A1832 0.247 5.669 -54.012 1.00 0.00 H new ATOM 0 HB2 GLN A1832 -0.709 4.980 -56.153 1.00 0.00 H new ATOM 0 HB3 GLN A1832 -1.918 4.915 -54.887 1.00 0.00 H new ATOM 0 HG2 GLN A1832 -2.846 7.110 -55.698 1.00 0.00 H new ATOM 0 HG3 GLN A1832 -1.671 7.104 -56.998 1.00 0.00 H new ATOM 0 HE21 GLN A1832 -4.623 5.514 -55.745 1.00 0.00 H new ATOM 0 HE22 GLN A1832 -4.999 4.658 -57.244 1.00 0.00 H new ATOM 976 N ILE A1833 0.248 8.520 -55.602 1.00 0.00 N ATOM 977 CA ILE A1833 1.115 9.517 -56.257 1.00 0.00 C ATOM 978 C ILE A1833 2.151 10.072 -55.261 1.00 0.00 C ATOM 979 O ILE A1833 3.320 10.253 -55.611 1.00 0.00 O ATOM 980 CB ILE A1833 0.255 10.647 -56.869 1.00 0.00 C ATOM 981 CG1 ILE A1833 -0.848 10.129 -57.827 1.00 0.00 C ATOM 982 CG2 ILE A1833 1.133 11.682 -57.599 1.00 0.00 C ATOM 983 CD1 ILE A1833 -0.367 9.249 -58.989 1.00 0.00 C ATOM 0 H ILE A1833 -0.675 8.885 -55.367 1.00 0.00 H new ATOM 0 HA ILE A1833 1.664 9.034 -57.066 1.00 0.00 H new ATOM 0 HB ILE A1833 -0.247 11.123 -56.027 1.00 0.00 H new ATOM 0 HG12 ILE A1833 -1.573 9.562 -57.243 1.00 0.00 H new ATOM 0 HG13 ILE A1833 -1.375 10.988 -58.241 1.00 0.00 H new ATOM 0 HG21 ILE A1833 0.501 12.464 -58.019 1.00 0.00 H new ATOM 0 HG22 ILE A1833 1.837 12.124 -56.894 1.00 0.00 H new ATOM 0 HG23 ILE A1833 1.683 11.191 -58.401 1.00 0.00 H new ATOM 0 HD11 ILE A1833 -1.222 8.945 -59.593 1.00 0.00 H new ATOM 0 HD12 ILE A1833 0.332 9.813 -59.607 1.00 0.00 H new ATOM 0 HD13 ILE A1833 0.131 8.364 -58.593 1.00 0.00 H new ATOM 995 N SER A1834 1.750 10.299 -54.009 1.00 0.00 N ATOM 996 CA SER A1834 2.609 10.733 -52.901 1.00 0.00 C ATOM 997 C SER A1834 3.778 9.769 -52.671 1.00 0.00 C ATOM 998 O SER A1834 4.928 10.203 -52.562 1.00 0.00 O ATOM 999 CB SER A1834 1.794 10.890 -51.606 1.00 0.00 C ATOM 1000 OG SER A1834 0.681 11.745 -51.826 1.00 0.00 O ATOM 0 H SER A1834 0.777 10.181 -53.725 1.00 0.00 H new ATOM 0 HA SER A1834 3.024 11.702 -53.180 1.00 0.00 H new ATOM 0 HB2 SER A1834 1.450 9.914 -51.264 1.00 0.00 H new ATOM 0 HB3 SER A1834 2.426 11.299 -50.818 1.00 0.00 H new ATOM 0 HG SER A1834 0.169 11.836 -50.995 1.00 0.00 H new ATOM 1006 N LEU A1835 3.514 8.460 -52.660 1.00 0.00 N ATOM 1007 CA LEU A1835 4.535 7.410 -52.544 1.00 0.00 C ATOM 1008 C LEU A1835 5.479 7.355 -53.762 1.00 0.00 C ATOM 1009 O LEU A1835 6.683 7.182 -53.585 1.00 0.00 O ATOM 1010 CB LEU A1835 3.851 6.043 -52.349 1.00 0.00 C ATOM 1011 CG LEU A1835 3.024 5.903 -51.062 1.00 0.00 C ATOM 1012 CD1 LEU A1835 2.362 4.530 -51.068 1.00 0.00 C ATOM 1013 CD2 LEU A1835 3.856 6.055 -49.788 1.00 0.00 C ATOM 0 H LEU A1835 2.566 8.091 -52.733 1.00 0.00 H new ATOM 0 HA LEU A1835 5.150 7.653 -51.677 1.00 0.00 H new ATOM 0 HB2 LEU A1835 3.200 5.856 -53.203 1.00 0.00 H new ATOM 0 HB3 LEU A1835 4.617 5.267 -52.356 1.00 0.00 H new ATOM 0 HG LEU A1835 2.289 6.708 -51.052 1.00 0.00 H new ATOM 0 HD11 LEU A1835 1.769 4.408 -50.162 1.00 0.00 H new ATOM 0 HD12 LEU A1835 1.714 4.442 -51.940 1.00 0.00 H new ATOM 0 HD13 LEU A1835 3.129 3.756 -51.106 1.00 0.00 H new ATOM 0 HD21 LEU A1835 3.210 5.945 -48.917 1.00 0.00 H new ATOM 0 HD22 LEU A1835 4.630 5.288 -49.765 1.00 0.00 H new ATOM 0 HD23 LEU A1835 4.321 7.041 -49.773 1.00 0.00 H new ATOM 1025 N ILE A1836 4.976 7.556 -54.986 1.00 0.00 N ATOM 1026 CA ILE A1836 5.803 7.656 -56.208 1.00 0.00 C ATOM 1027 C ILE A1836 6.772 8.852 -56.140 1.00 0.00 C ATOM 1028 O ILE A1836 7.898 8.769 -56.634 1.00 0.00 O ATOM 1029 CB ILE A1836 4.897 7.688 -57.470 1.00 0.00 C ATOM 1030 CG1 ILE A1836 4.288 6.286 -57.685 1.00 0.00 C ATOM 1031 CG2 ILE A1836 5.652 8.123 -58.738 1.00 0.00 C ATOM 1032 CD1 ILE A1836 3.128 6.253 -58.685 1.00 0.00 C ATOM 0 H ILE A1836 3.977 7.655 -55.164 1.00 0.00 H new ATOM 0 HA ILE A1836 6.429 6.767 -56.279 1.00 0.00 H new ATOM 0 HB ILE A1836 4.117 8.430 -57.296 1.00 0.00 H new ATOM 0 HG12 ILE A1836 5.071 5.611 -58.031 1.00 0.00 H new ATOM 0 HG13 ILE A1836 3.938 5.903 -56.726 1.00 0.00 H new ATOM 0 HG21 ILE A1836 4.967 8.126 -59.586 1.00 0.00 H new ATOM 0 HG22 ILE A1836 6.057 9.125 -58.595 1.00 0.00 H new ATOM 0 HG23 ILE A1836 6.468 7.427 -58.933 1.00 0.00 H new ATOM 0 HD11 ILE A1836 2.757 5.232 -58.779 1.00 0.00 H new ATOM 0 HD12 ILE A1836 2.325 6.900 -58.332 1.00 0.00 H new ATOM 0 HD13 ILE A1836 3.475 6.603 -59.657 1.00 0.00 H new ATOM 1044 N ASN A1837 6.373 9.946 -55.482 1.00 0.00 N ATOM 1045 CA ASN A1837 7.210 11.134 -55.269 1.00 0.00 C ATOM 1046 C ASN A1837 8.263 10.978 -54.139 1.00 0.00 C ATOM 1047 O ASN A1837 9.179 11.799 -54.056 1.00 0.00 O ATOM 1048 CB ASN A1837 6.300 12.355 -55.031 1.00 0.00 C ATOM 1049 CG ASN A1837 5.771 12.944 -56.331 1.00 0.00 C ATOM 1050 OD1 ASN A1837 6.317 13.890 -56.883 1.00 0.00 O ATOM 1051 ND2 ASN A1837 4.700 12.411 -56.874 1.00 0.00 N ATOM 0 H ASN A1837 5.442 10.033 -55.075 1.00 0.00 H new ATOM 0 HA ASN A1837 7.801 11.278 -56.173 1.00 0.00 H new ATOM 0 HB2 ASN A1837 5.461 12.062 -54.400 1.00 0.00 H new ATOM 0 HB3 ASN A1837 6.856 13.119 -54.488 1.00 0.00 H new ATOM 0 HD21 ASN A1837 4.331 12.786 -57.748 1.00 0.00 H new ATOM 0 HD22 ASN A1837 4.238 11.622 -56.422 1.00 0.00 H new ATOM 1058 N MET A1838 8.183 9.938 -53.296 1.00 0.00 N ATOM 1059 CA MET A1838 9.198 9.605 -52.290 1.00 0.00 C ATOM 1060 C MET A1838 10.397 8.845 -52.892 1.00 0.00 C ATOM 1061 O MET A1838 10.371 8.357 -54.025 1.00 0.00 O ATOM 1062 CB MET A1838 8.564 8.780 -51.158 1.00 0.00 C ATOM 1063 CG MET A1838 7.579 9.584 -50.310 1.00 0.00 C ATOM 1064 SD MET A1838 6.854 8.623 -48.954 1.00 0.00 S ATOM 1065 CE MET A1838 5.943 9.944 -48.103 1.00 0.00 C ATOM 0 H MET A1838 7.393 9.292 -53.296 1.00 0.00 H new ATOM 0 HA MET A1838 9.580 10.545 -51.892 1.00 0.00 H new ATOM 0 HB2 MET A1838 8.048 7.921 -51.587 1.00 0.00 H new ATOM 0 HB3 MET A1838 9.353 8.389 -50.515 1.00 0.00 H new ATOM 0 HG2 MET A1838 8.090 10.454 -49.897 1.00 0.00 H new ATOM 0 HG3 MET A1838 6.780 9.958 -50.950 1.00 0.00 H new ATOM 0 HE1 MET A1838 5.430 9.531 -47.234 1.00 0.00 H new ATOM 0 HE2 MET A1838 6.640 10.717 -47.780 1.00 0.00 H new ATOM 0 HE3 MET A1838 5.211 10.378 -48.784 1.00 0.00 H new ATOM 1075 N ASP A1839 11.453 8.701 -52.088 1.00 0.00 N ATOM 1076 CA ASP A1839 12.707 7.998 -52.412 1.00 0.00 C ATOM 1077 C ASP A1839 12.653 6.461 -52.200 1.00 0.00 C ATOM 1078 O ASP A1839 13.679 5.779 -52.262 1.00 0.00 O ATOM 1079 CB ASP A1839 13.831 8.647 -51.582 1.00 0.00 C ATOM 1080 CG ASP A1839 15.242 8.279 -52.079 1.00 0.00 C ATOM 1081 OD1 ASP A1839 15.526 8.447 -53.293 1.00 0.00 O ATOM 1082 OD2 ASP A1839 16.103 7.875 -51.255 1.00 0.00 O ATOM 0 H ASP A1839 11.462 9.089 -51.145 1.00 0.00 H new ATOM 0 HA ASP A1839 12.893 8.107 -53.480 1.00 0.00 H new ATOM 0 HB2 ASP A1839 13.714 9.730 -51.609 1.00 0.00 H new ATOM 0 HB3 ASP A1839 13.728 8.341 -50.541 1.00 0.00 H new ATOM 1087 N LEU A1840 11.464 5.906 -51.927 1.00 0.00 N ATOM 1088 CA LEU A1840 11.217 4.503 -51.556 1.00 0.00 C ATOM 1089 C LEU A1840 11.891 3.490 -52.515 1.00 0.00 C ATOM 1090 O LEU A1840 11.566 3.489 -53.708 1.00 0.00 O ATOM 1091 CB LEU A1840 9.698 4.237 -51.499 1.00 0.00 C ATOM 1092 CG LEU A1840 8.963 4.963 -50.353 1.00 0.00 C ATOM 1093 CD1 LEU A1840 7.449 4.878 -50.551 1.00 0.00 C ATOM 1094 CD2 LEU A1840 9.275 4.340 -48.995 1.00 0.00 C ATOM 0 H LEU A1840 10.603 6.451 -51.960 1.00 0.00 H new ATOM 0 HA LEU A1840 11.666 4.354 -50.574 1.00 0.00 H new ATOM 0 HB2 LEU A1840 9.253 4.539 -52.447 1.00 0.00 H new ATOM 0 HB3 LEU A1840 9.534 3.164 -51.397 1.00 0.00 H new ATOM 0 HG LEU A1840 9.305 5.998 -50.372 1.00 0.00 H new ATOM 0 HD11 LEU A1840 6.946 5.395 -49.734 1.00 0.00 H new ATOM 0 HD12 LEU A1840 7.179 5.346 -51.498 1.00 0.00 H new ATOM 0 HD13 LEU A1840 7.142 3.832 -50.563 1.00 0.00 H new ATOM 0 HD21 LEU A1840 8.738 4.880 -48.215 1.00 0.00 H new ATOM 0 HD22 LEU A1840 8.963 3.296 -48.994 1.00 0.00 H new ATOM 0 HD23 LEU A1840 10.347 4.399 -48.805 1.00 0.00 H new ATOM 1106 N PRO A1841 12.817 2.634 -52.031 1.00 0.00 N ATOM 1107 CA PRO A1841 13.466 1.591 -52.830 1.00 0.00 C ATOM 1108 C PRO A1841 12.544 0.382 -53.073 1.00 0.00 C ATOM 1109 O PRO A1841 11.427 0.317 -52.556 1.00 0.00 O ATOM 1110 CB PRO A1841 14.697 1.202 -52.006 1.00 0.00 C ATOM 1111 CG PRO A1841 14.210 1.357 -50.565 1.00 0.00 C ATOM 1112 CD PRO A1841 13.291 2.572 -50.654 1.00 0.00 C ATOM 0 HA PRO A1841 13.723 1.944 -53.829 1.00 0.00 H new ATOM 0 HB2 PRO A1841 15.017 0.181 -52.216 1.00 0.00 H new ATOM 0 HB3 PRO A1841 15.546 1.852 -52.217 1.00 0.00 H new ATOM 0 HG2 PRO A1841 13.678 0.471 -50.219 1.00 0.00 H new ATOM 0 HG3 PRO A1841 15.036 1.523 -49.873 1.00 0.00 H new ATOM 0 HD2 PRO A1841 12.456 2.478 -49.960 1.00 0.00 H new ATOM 0 HD3 PRO A1841 13.826 3.483 -50.387 1.00 0.00 H new ATOM 1120 N MET A1842 13.031 -0.620 -53.814 1.00 0.00 N ATOM 1121 CA MET A1842 12.475 -1.986 -53.851 1.00 0.00 C ATOM 1122 C MET A1842 13.599 -3.019 -53.706 1.00 0.00 C ATOM 1123 O MET A1842 14.591 -2.981 -54.440 1.00 0.00 O ATOM 1124 CB MET A1842 11.654 -2.222 -55.132 1.00 0.00 C ATOM 1125 CG MET A1842 10.320 -1.462 -55.104 1.00 0.00 C ATOM 1126 SD MET A1842 9.281 -1.721 -56.564 1.00 0.00 S ATOM 1127 CE MET A1842 7.824 -0.774 -56.036 1.00 0.00 C ATOM 0 H MET A1842 13.843 -0.505 -54.421 1.00 0.00 H new ATOM 0 HA MET A1842 11.793 -2.103 -53.009 1.00 0.00 H new ATOM 0 HB2 MET A1842 12.234 -1.906 -55.999 1.00 0.00 H new ATOM 0 HB3 MET A1842 11.462 -3.289 -55.249 1.00 0.00 H new ATOM 0 HG2 MET A1842 9.762 -1.764 -54.218 1.00 0.00 H new ATOM 0 HG3 MET A1842 10.525 -0.396 -55.003 1.00 0.00 H new ATOM 0 HE1 MET A1842 7.029 -0.888 -56.773 1.00 0.00 H new ATOM 0 HE2 MET A1842 7.479 -1.145 -55.071 1.00 0.00 H new ATOM 0 HE3 MET A1842 8.088 0.280 -55.947 1.00 0.00 H new ATOM 1137 N VAL A1843 13.475 -3.929 -52.733 1.00 0.00 N ATOM 1138 CA VAL A1843 14.556 -4.843 -52.295 1.00 0.00 C ATOM 1139 C VAL A1843 14.798 -6.032 -53.231 1.00 0.00 C ATOM 1140 O VAL A1843 15.831 -6.698 -53.142 1.00 0.00 O ATOM 1141 CB VAL A1843 14.321 -5.344 -50.850 1.00 0.00 C ATOM 1142 CG1 VAL A1843 14.097 -4.164 -49.893 1.00 0.00 C ATOM 1143 CG2 VAL A1843 13.137 -6.316 -50.708 1.00 0.00 C ATOM 0 H VAL A1843 12.607 -4.060 -52.213 1.00 0.00 H new ATOM 0 HA VAL A1843 15.462 -4.238 -52.329 1.00 0.00 H new ATOM 0 HB VAL A1843 15.228 -5.891 -50.591 1.00 0.00 H new ATOM 0 HG11 VAL A1843 13.934 -4.540 -48.883 1.00 0.00 H new ATOM 0 HG12 VAL A1843 14.974 -3.517 -49.902 1.00 0.00 H new ATOM 0 HG13 VAL A1843 13.224 -3.596 -50.214 1.00 0.00 H new ATOM 0 HG21 VAL A1843 13.039 -6.620 -49.666 1.00 0.00 H new ATOM 0 HG22 VAL A1843 12.220 -5.822 -51.029 1.00 0.00 H new ATOM 0 HG23 VAL A1843 13.312 -7.195 -51.328 1.00 0.00 H new ATOM 1153 N SER A1844 13.861 -6.298 -54.146 1.00 0.00 N ATOM 1154 CA SER A1844 13.935 -7.343 -55.181 1.00 0.00 C ATOM 1155 C SER A1844 13.145 -6.960 -56.443 1.00 0.00 C ATOM 1156 O SER A1844 13.666 -7.045 -57.562 1.00 0.00 O ATOM 1157 CB SER A1844 13.426 -8.671 -54.605 1.00 0.00 C ATOM 1158 OG SER A1844 13.599 -9.725 -55.541 1.00 0.00 O ATOM 0 H SER A1844 12.990 -5.769 -54.191 1.00 0.00 H new ATOM 0 HA SER A1844 14.977 -7.452 -55.480 1.00 0.00 H new ATOM 0 HB2 SER A1844 13.963 -8.903 -53.685 1.00 0.00 H new ATOM 0 HB3 SER A1844 12.372 -8.579 -54.344 1.00 0.00 H new ATOM 0 HG SER A1844 13.270 -10.563 -55.154 1.00 0.00 H new ATOM 1164 N GLY A1845 11.904 -6.490 -56.269 1.00 0.00 N ATOM 1165 CA GLY A1845 11.047 -5.993 -57.355 1.00 0.00 C ATOM 1166 C GLY A1845 9.615 -5.590 -56.958 1.00 0.00 C ATOM 1167 O GLY A1845 8.937 -4.921 -57.739 1.00 0.00 O ATOM 0 H GLY A1845 11.458 -6.443 -55.353 1.00 0.00 H new ATOM 0 HA2 GLY A1845 11.533 -5.129 -57.808 1.00 0.00 H new ATOM 0 HA3 GLY A1845 10.986 -6.763 -58.124 1.00 0.00 H new ATOM 1171 N ASP A1846 9.138 -5.973 -55.764 1.00 0.00 N ATOM 1172 CA ASP A1846 7.781 -5.674 -55.262 1.00 0.00 C ATOM 1173 C ASP A1846 7.670 -5.357 -53.754 1.00 0.00 C ATOM 1174 O ASP A1846 6.614 -4.893 -53.305 1.00 0.00 O ATOM 1175 CB ASP A1846 6.842 -6.837 -55.631 1.00 0.00 C ATOM 1176 CG ASP A1846 7.031 -8.093 -54.757 1.00 0.00 C ATOM 1177 OD1 ASP A1846 8.189 -8.528 -54.547 1.00 0.00 O ATOM 1178 OD2 ASP A1846 6.017 -8.685 -54.311 1.00 0.00 O ATOM 0 H ASP A1846 9.696 -6.512 -55.102 1.00 0.00 H new ATOM 0 HA ASP A1846 7.489 -4.745 -55.752 1.00 0.00 H new ATOM 0 HB2 ASP A1846 5.809 -6.499 -55.545 1.00 0.00 H new ATOM 0 HB3 ASP A1846 7.004 -7.105 -56.675 1.00 0.00 H new ATOM 1183 N ARG A1847 8.736 -5.576 -52.963 1.00 0.00 N ATOM 1184 CA ARG A1847 8.795 -5.337 -51.506 1.00 0.00 C ATOM 1185 C ARG A1847 9.785 -4.239 -51.119 1.00 0.00 C ATOM 1186 O ARG A1847 10.727 -3.950 -51.858 1.00 0.00 O ATOM 1187 CB ARG A1847 9.126 -6.640 -50.752 1.00 0.00 C ATOM 1188 CG ARG A1847 7.877 -7.500 -50.502 1.00 0.00 C ATOM 1189 CD ARG A1847 8.166 -8.655 -49.529 1.00 0.00 C ATOM 1190 NE ARG A1847 6.937 -9.059 -48.827 1.00 0.00 N ATOM 1191 CZ ARG A1847 6.797 -9.944 -47.860 1.00 0.00 C ATOM 1192 NH1 ARG A1847 7.759 -10.699 -47.415 1.00 0.00 N ATOM 1193 NH2 ARG A1847 5.645 -10.106 -47.295 1.00 0.00 N ATOM 0 H ARG A1847 9.615 -5.938 -53.334 1.00 0.00 H new ATOM 0 HA ARG A1847 7.804 -4.989 -51.213 1.00 0.00 H new ATOM 0 HB2 ARG A1847 9.852 -7.215 -51.326 1.00 0.00 H new ATOM 0 HB3 ARG A1847 9.594 -6.397 -49.798 1.00 0.00 H new ATOM 0 HG2 ARG A1847 7.080 -6.875 -50.099 1.00 0.00 H new ATOM 0 HG3 ARG A1847 7.518 -7.903 -51.449 1.00 0.00 H new ATOM 0 HD2 ARG A1847 8.575 -9.505 -50.076 1.00 0.00 H new ATOM 0 HD3 ARG A1847 8.921 -8.348 -48.805 1.00 0.00 H new ATOM 0 HE ARG A1847 6.081 -8.593 -49.128 1.00 0.00 H new ATOM 0 HH11 ARG A1847 8.693 -10.626 -47.819 1.00 0.00 H new ATOM 0 HH12 ARG A1847 7.579 -11.364 -46.662 1.00 0.00 H new ATOM 0 HH21 ARG A1847 4.846 -9.549 -47.598 1.00 0.00 H new ATOM 0 HH22 ARG A1847 5.536 -10.791 -46.547 1.00 0.00 H new ATOM 1207 N ILE A1848 9.569 -3.648 -49.941 1.00 0.00 N ATOM 1208 CA ILE A1848 10.237 -2.441 -49.422 1.00 0.00 C ATOM 1209 C ILE A1848 10.534 -2.607 -47.918 1.00 0.00 C ATOM 1210 O ILE A1848 9.696 -3.099 -47.157 1.00 0.00 O ATOM 1211 CB ILE A1848 9.363 -1.182 -49.669 1.00 0.00 C ATOM 1212 CG1 ILE A1848 8.844 -1.054 -51.119 1.00 0.00 C ATOM 1213 CG2 ILE A1848 10.177 0.085 -49.336 1.00 0.00 C ATOM 1214 CD1 ILE A1848 7.487 -1.724 -51.366 1.00 0.00 C ATOM 0 H ILE A1848 8.884 -4.017 -49.282 1.00 0.00 H new ATOM 0 HA ILE A1848 11.180 -2.309 -49.953 1.00 0.00 H new ATOM 0 HB ILE A1848 8.494 -1.289 -49.020 1.00 0.00 H new ATOM 0 HG12 ILE A1848 8.765 0.003 -51.372 1.00 0.00 H new ATOM 0 HG13 ILE A1848 9.579 -1.490 -51.795 1.00 0.00 H new ATOM 0 HG21 ILE A1848 9.563 0.968 -49.510 1.00 0.00 H new ATOM 0 HG22 ILE A1848 10.484 0.056 -48.290 1.00 0.00 H new ATOM 0 HG23 ILE A1848 11.061 0.127 -49.972 1.00 0.00 H new ATOM 0 HD11 ILE A1848 7.198 -1.586 -52.408 1.00 0.00 H new ATOM 0 HD12 ILE A1848 7.562 -2.789 -51.148 1.00 0.00 H new ATOM 0 HD13 ILE A1848 6.735 -1.273 -50.718 1.00 0.00 H new ATOM 1226 N HIS A1849 11.739 -2.218 -47.501 1.00 0.00 N ATOM 1227 CA HIS A1849 12.261 -2.343 -46.130 1.00 0.00 C ATOM 1228 C HIS A1849 11.649 -1.336 -45.137 1.00 0.00 C ATOM 1229 O HIS A1849 11.525 -0.148 -45.425 1.00 0.00 O ATOM 1230 CB HIS A1849 13.789 -2.164 -46.191 1.00 0.00 C ATOM 1231 CG HIS A1849 14.484 -2.269 -44.855 1.00 0.00 C ATOM 1232 ND1 HIS A1849 15.362 -1.340 -44.341 1.00 0.00 N ATOM 1233 CD2 HIS A1849 14.399 -3.304 -43.961 1.00 0.00 C ATOM 1234 CE1 HIS A1849 15.803 -1.794 -43.158 1.00 0.00 C ATOM 1235 NE2 HIS A1849 15.225 -2.979 -42.873 1.00 0.00 N ATOM 0 H HIS A1849 12.412 -1.787 -48.135 1.00 0.00 H new ATOM 0 HA HIS A1849 11.984 -3.328 -45.754 1.00 0.00 H new ATOM 0 HB2 HIS A1849 14.204 -2.916 -46.863 1.00 0.00 H new ATOM 0 HB3 HIS A1849 14.011 -1.190 -46.627 1.00 0.00 H new ATOM 0 HD1 HIS A1849 15.630 -0.461 -44.783 1.00 0.00 H new ATOM 0 HD2 HIS A1849 13.808 -4.201 -44.072 1.00 0.00 H new ATOM 0 HE1 HIS A1849 16.516 -1.285 -42.526 1.00 0.00 H new ATOM 1243 N CYS A1850 11.330 -1.819 -43.933 1.00 0.00 N ATOM 1244 CA CYS A1850 10.711 -1.090 -42.823 1.00 0.00 C ATOM 1245 C CYS A1850 11.372 0.269 -42.517 1.00 0.00 C ATOM 1246 O CYS A1850 10.696 1.304 -42.522 1.00 0.00 O ATOM 1247 CB CYS A1850 10.722 -2.021 -41.601 1.00 0.00 C ATOM 1248 SG CYS A1850 9.784 -1.298 -40.234 1.00 0.00 S ATOM 0 H CYS A1850 11.509 -2.794 -43.692 1.00 0.00 H new ATOM 0 HA CYS A1850 9.691 -0.826 -43.104 1.00 0.00 H new ATOM 0 HB2 CYS A1850 10.295 -2.987 -41.870 1.00 0.00 H new ATOM 0 HB3 CYS A1850 11.750 -2.203 -41.286 1.00 0.00 H new ATOM 0 HG CYS A1850 8.549 -1.698 -40.296 1.00 0.00 H new ATOM 1254 N MET A1851 12.684 0.286 -42.260 1.00 0.00 N ATOM 1255 CA MET A1851 13.400 1.514 -41.871 1.00 0.00 C ATOM 1256 C MET A1851 13.430 2.554 -43.008 1.00 0.00 C ATOM 1257 O MET A1851 13.273 3.748 -42.757 1.00 0.00 O ATOM 1258 CB MET A1851 14.808 1.168 -41.359 1.00 0.00 C ATOM 1259 CG MET A1851 15.481 2.333 -40.626 1.00 0.00 C ATOM 1260 SD MET A1851 16.296 3.569 -41.682 1.00 0.00 S ATOM 1261 CE MET A1851 16.042 5.049 -40.669 1.00 0.00 C ATOM 0 H MET A1851 13.279 -0.541 -42.314 1.00 0.00 H new ATOM 0 HA MET A1851 12.851 1.982 -41.054 1.00 0.00 H new ATOM 0 HB2 MET A1851 14.744 0.312 -40.688 1.00 0.00 H new ATOM 0 HB3 MET A1851 15.431 0.867 -42.201 1.00 0.00 H new ATOM 0 HG2 MET A1851 14.729 2.839 -40.021 1.00 0.00 H new ATOM 0 HG3 MET A1851 16.222 1.925 -39.938 1.00 0.00 H new ATOM 0 HE1 MET A1851 16.483 5.912 -41.169 1.00 0.00 H new ATOM 0 HE2 MET A1851 14.974 5.216 -40.531 1.00 0.00 H new ATOM 0 HE3 MET A1851 16.517 4.911 -39.697 1.00 0.00 H new ATOM 1271 N ASP A1852 13.569 2.123 -44.264 1.00 0.00 N ATOM 1272 CA ASP A1852 13.562 3.017 -45.435 1.00 0.00 C ATOM 1273 C ASP A1852 12.192 3.687 -45.659 1.00 0.00 C ATOM 1274 O ASP A1852 12.125 4.841 -46.079 1.00 0.00 O ATOM 1275 CB ASP A1852 14.007 2.250 -46.685 1.00 0.00 C ATOM 1276 CG ASP A1852 15.503 1.904 -46.623 1.00 0.00 C ATOM 1277 OD1 ASP A1852 15.870 0.891 -45.982 1.00 0.00 O ATOM 1278 OD2 ASP A1852 16.319 2.644 -47.223 1.00 0.00 O ATOM 0 H ASP A1852 13.691 1.139 -44.503 1.00 0.00 H new ATOM 0 HA ASP A1852 14.271 3.821 -45.237 1.00 0.00 H new ATOM 0 HB2 ASP A1852 13.423 1.334 -46.780 1.00 0.00 H new ATOM 0 HB3 ASP A1852 13.806 2.849 -47.573 1.00 0.00 H new ATOM 1283 N ILE A1853 11.097 3.000 -45.312 1.00 0.00 N ATOM 1284 CA ILE A1853 9.740 3.568 -45.279 1.00 0.00 C ATOM 1285 C ILE A1853 9.635 4.632 -44.182 1.00 0.00 C ATOM 1286 O ILE A1853 9.229 5.764 -44.466 1.00 0.00 O ATOM 1287 CB ILE A1853 8.666 2.459 -45.123 1.00 0.00 C ATOM 1288 CG1 ILE A1853 8.735 1.481 -46.315 1.00 0.00 C ATOM 1289 CG2 ILE A1853 7.255 3.072 -45.063 1.00 0.00 C ATOM 1290 CD1 ILE A1853 8.040 0.141 -46.058 1.00 0.00 C ATOM 0 H ILE A1853 11.127 2.017 -45.041 1.00 0.00 H new ATOM 0 HA ILE A1853 9.546 4.056 -46.234 1.00 0.00 H new ATOM 0 HB ILE A1853 8.866 1.925 -44.194 1.00 0.00 H new ATOM 0 HG12 ILE A1853 8.282 1.953 -47.187 1.00 0.00 H new ATOM 0 HG13 ILE A1853 9.781 1.296 -46.561 1.00 0.00 H new ATOM 0 HG21 ILE A1853 6.517 2.277 -44.954 1.00 0.00 H new ATOM 0 HG22 ILE A1853 7.188 3.749 -44.211 1.00 0.00 H new ATOM 0 HG23 ILE A1853 7.059 3.625 -45.982 1.00 0.00 H new ATOM 0 HD11 ILE A1853 8.131 -0.492 -46.941 1.00 0.00 H new ATOM 0 HD12 ILE A1853 8.508 -0.354 -45.207 1.00 0.00 H new ATOM 0 HD13 ILE A1853 6.985 0.313 -45.843 1.00 0.00 H new ATOM 1302 N LEU A1854 10.057 4.313 -42.947 1.00 0.00 N ATOM 1303 CA LEU A1854 10.130 5.287 -41.849 1.00 0.00 C ATOM 1304 C LEU A1854 10.948 6.531 -42.242 1.00 0.00 C ATOM 1305 O LEU A1854 10.494 7.658 -42.039 1.00 0.00 O ATOM 1306 CB LEU A1854 10.666 4.603 -40.576 1.00 0.00 C ATOM 1307 CG LEU A1854 10.790 5.540 -39.353 1.00 0.00 C ATOM 1308 CD1 LEU A1854 9.435 6.067 -38.880 1.00 0.00 C ATOM 1309 CD2 LEU A1854 11.433 4.789 -38.189 1.00 0.00 C ATOM 0 H LEU A1854 10.356 3.374 -42.684 1.00 0.00 H new ATOM 0 HA LEU A1854 9.124 5.649 -41.635 1.00 0.00 H new ATOM 0 HB2 LEU A1854 10.007 3.774 -40.318 1.00 0.00 H new ATOM 0 HB3 LEU A1854 11.645 4.176 -40.792 1.00 0.00 H new ATOM 0 HG LEU A1854 11.402 6.385 -39.668 1.00 0.00 H new ATOM 0 HD11 LEU A1854 9.579 6.720 -38.019 1.00 0.00 H new ATOM 0 HD12 LEU A1854 8.961 6.628 -39.686 1.00 0.00 H new ATOM 0 HD13 LEU A1854 8.797 5.229 -38.597 1.00 0.00 H new ATOM 0 HD21 LEU A1854 11.518 5.454 -37.330 1.00 0.00 H new ATOM 0 HD22 LEU A1854 10.815 3.931 -37.924 1.00 0.00 H new ATOM 0 HD23 LEU A1854 12.425 4.445 -38.481 1.00 0.00 H new ATOM 1321 N PHE A1855 12.128 6.347 -42.836 1.00 0.00 N ATOM 1322 CA PHE A1855 12.988 7.419 -43.348 1.00 0.00 C ATOM 1323 C PHE A1855 12.261 8.294 -44.389 1.00 0.00 C ATOM 1324 O PHE A1855 12.183 9.512 -44.221 1.00 0.00 O ATOM 1325 CB PHE A1855 14.279 6.807 -43.905 1.00 0.00 C ATOM 1326 CG PHE A1855 15.313 7.808 -44.389 1.00 0.00 C ATOM 1327 CD1 PHE A1855 15.905 8.713 -43.483 1.00 0.00 C ATOM 1328 CD2 PHE A1855 15.727 7.810 -45.734 1.00 0.00 C ATOM 1329 CE1 PHE A1855 16.898 9.610 -43.917 1.00 0.00 C ATOM 1330 CE2 PHE A1855 16.726 8.699 -46.163 1.00 0.00 C ATOM 1331 CZ PHE A1855 17.317 9.594 -45.259 1.00 0.00 C ATOM 0 H PHE A1855 12.526 5.419 -42.979 1.00 0.00 H new ATOM 0 HA PHE A1855 13.245 8.089 -42.527 1.00 0.00 H new ATOM 0 HB2 PHE A1855 14.731 6.187 -43.131 1.00 0.00 H new ATOM 0 HB3 PHE A1855 14.021 6.146 -44.733 1.00 0.00 H new ATOM 0 HD1 PHE A1855 15.594 8.717 -42.449 1.00 0.00 H new ATOM 0 HD2 PHE A1855 15.276 7.126 -46.438 1.00 0.00 H new ATOM 0 HE1 PHE A1855 17.337 10.309 -43.221 1.00 0.00 H new ATOM 0 HE2 PHE A1855 17.041 8.694 -47.196 1.00 0.00 H new ATOM 0 HZ PHE A1855 18.091 10.269 -45.593 1.00 0.00 H new ATOM 1341 N ALA A1856 11.689 7.701 -45.444 1.00 0.00 N ATOM 1342 CA ALA A1856 10.917 8.418 -46.462 1.00 0.00 C ATOM 1343 C ALA A1856 9.751 9.240 -45.870 1.00 0.00 C ATOM 1344 O ALA A1856 9.521 10.374 -46.289 1.00 0.00 O ATOM 1345 CB ALA A1856 10.421 7.401 -47.494 1.00 0.00 C ATOM 0 H ALA A1856 11.751 6.697 -45.615 1.00 0.00 H new ATOM 0 HA ALA A1856 11.568 9.151 -46.939 1.00 0.00 H new ATOM 0 HB1 ALA A1856 9.843 7.915 -48.262 1.00 0.00 H new ATOM 0 HB2 ALA A1856 11.275 6.904 -47.954 1.00 0.00 H new ATOM 0 HB3 ALA A1856 9.792 6.660 -47.001 1.00 0.00 H new ATOM 1351 N PHE A1857 9.026 8.688 -44.890 1.00 0.00 N ATOM 1352 CA PHE A1857 7.919 9.365 -44.207 1.00 0.00 C ATOM 1353 C PHE A1857 8.414 10.511 -43.304 1.00 0.00 C ATOM 1354 O PHE A1857 7.917 11.633 -43.404 1.00 0.00 O ATOM 1355 CB PHE A1857 7.078 8.349 -43.402 1.00 0.00 C ATOM 1356 CG PHE A1857 6.262 7.311 -44.178 1.00 0.00 C ATOM 1357 CD1 PHE A1857 6.372 7.142 -45.578 1.00 0.00 C ATOM 1358 CD2 PHE A1857 5.361 6.494 -43.465 1.00 0.00 C ATOM 1359 CE1 PHE A1857 5.602 6.171 -46.242 1.00 0.00 C ATOM 1360 CE2 PHE A1857 4.592 5.522 -44.131 1.00 0.00 C ATOM 1361 CZ PHE A1857 4.718 5.356 -45.520 1.00 0.00 C ATOM 0 H PHE A1857 9.195 7.743 -44.544 1.00 0.00 H new ATOM 0 HA PHE A1857 7.285 9.813 -44.972 1.00 0.00 H new ATOM 0 HB2 PHE A1857 7.753 7.812 -42.735 1.00 0.00 H new ATOM 0 HB3 PHE A1857 6.389 8.912 -42.772 1.00 0.00 H new ATOM 0 HD1 PHE A1857 7.053 7.763 -46.141 1.00 0.00 H new ATOM 0 HD2 PHE A1857 5.260 6.615 -42.397 1.00 0.00 H new ATOM 0 HE1 PHE A1857 5.692 6.052 -47.312 1.00 0.00 H new ATOM 0 HE2 PHE A1857 3.904 4.903 -43.574 1.00 0.00 H new ATOM 0 HZ PHE A1857 4.136 4.603 -46.031 1.00 0.00 H new ATOM 1371 N THR A1858 9.416 10.271 -42.451 1.00 0.00 N ATOM 1372 CA THR A1858 9.967 11.280 -41.524 1.00 0.00 C ATOM 1373 C THR A1858 10.654 12.464 -42.212 1.00 0.00 C ATOM 1374 O THR A1858 10.620 13.569 -41.669 1.00 0.00 O ATOM 1375 CB THR A1858 10.922 10.681 -40.476 1.00 0.00 C ATOM 1376 OG1 THR A1858 11.953 9.939 -41.078 1.00 0.00 O ATOM 1377 CG2 THR A1858 10.202 9.769 -39.480 1.00 0.00 C ATOM 0 H THR A1858 9.876 9.363 -42.380 1.00 0.00 H new ATOM 0 HA THR A1858 9.080 11.662 -41.019 1.00 0.00 H new ATOM 0 HB THR A1858 11.338 11.536 -39.943 1.00 0.00 H new ATOM 0 HG1 THR A1858 11.593 9.091 -41.413 1.00 0.00 H new ATOM 0 HG21 THR A1858 10.921 9.373 -38.763 1.00 0.00 H new ATOM 0 HG22 THR A1858 9.439 10.339 -38.951 1.00 0.00 H new ATOM 0 HG23 THR A1858 9.732 8.944 -40.016 1.00 0.00 H new ATOM 1385 N LYS A1859 11.200 12.308 -43.430 1.00 0.00 N ATOM 1386 CA LYS A1859 11.765 13.424 -44.221 1.00 0.00 C ATOM 1387 C LYS A1859 10.759 14.545 -44.520 1.00 0.00 C ATOM 1388 O LYS A1859 11.152 15.713 -44.545 1.00 0.00 O ATOM 1389 CB LYS A1859 12.387 12.899 -45.528 1.00 0.00 C ATOM 1390 CG LYS A1859 13.774 12.274 -45.293 1.00 0.00 C ATOM 1391 CD LYS A1859 14.364 11.689 -46.582 1.00 0.00 C ATOM 1392 CE LYS A1859 14.836 12.758 -47.573 1.00 0.00 C ATOM 1393 NZ LYS A1859 16.104 13.404 -47.137 1.00 0.00 N ATOM 0 H LYS A1859 11.264 11.404 -43.898 1.00 0.00 H new ATOM 0 HA LYS A1859 12.540 13.871 -43.598 1.00 0.00 H new ATOM 0 HB2 LYS A1859 11.725 12.156 -45.972 1.00 0.00 H new ATOM 0 HB3 LYS A1859 12.474 13.717 -46.243 1.00 0.00 H new ATOM 0 HG2 LYS A1859 14.450 13.031 -44.895 1.00 0.00 H new ATOM 0 HG3 LYS A1859 13.696 11.489 -44.541 1.00 0.00 H new ATOM 0 HD2 LYS A1859 15.204 11.043 -46.328 1.00 0.00 H new ATOM 0 HD3 LYS A1859 13.614 11.062 -47.065 1.00 0.00 H new ATOM 0 HE2 LYS A1859 14.979 12.305 -48.554 1.00 0.00 H new ATOM 0 HE3 LYS A1859 14.062 13.517 -47.683 1.00 0.00 H new ATOM 0 HZ1 LYS A1859 16.387 14.120 -47.836 1.00 0.00 H new ATOM 0 HZ2 LYS A1859 15.962 13.859 -46.213 1.00 0.00 H new ATOM 0 HZ3 LYS A1859 16.851 12.684 -47.057 1.00 0.00 H new ATOM 1407 N ARG A1860 9.466 14.226 -44.669 1.00 0.00 N ATOM 1408 CA ARG A1860 8.364 15.210 -44.768 1.00 0.00 C ATOM 1409 C ARG A1860 8.220 16.034 -43.486 1.00 0.00 C ATOM 1410 O ARG A1860 8.096 17.257 -43.552 1.00 0.00 O ATOM 1411 CB ARG A1860 7.034 14.502 -45.085 1.00 0.00 C ATOM 1412 CG ARG A1860 6.985 13.827 -46.468 1.00 0.00 C ATOM 1413 CD ARG A1860 6.866 14.837 -47.625 1.00 0.00 C ATOM 1414 NE ARG A1860 5.552 15.513 -47.627 1.00 0.00 N ATOM 1415 CZ ARG A1860 5.289 16.805 -47.757 1.00 0.00 C ATOM 1416 NH1 ARG A1860 6.207 17.709 -47.933 1.00 0.00 N ATOM 1417 NH2 ARG A1860 4.055 17.222 -47.703 1.00 0.00 N ATOM 0 H ARG A1860 9.144 13.260 -44.726 1.00 0.00 H new ATOM 0 HA ARG A1860 8.613 15.892 -45.581 1.00 0.00 H new ATOM 0 HB2 ARG A1860 6.846 13.749 -44.320 1.00 0.00 H new ATOM 0 HB3 ARG A1860 6.225 15.230 -45.021 1.00 0.00 H new ATOM 0 HG2 ARG A1860 7.885 13.228 -46.606 1.00 0.00 H new ATOM 0 HG3 ARG A1860 6.138 13.142 -46.502 1.00 0.00 H new ATOM 0 HD2 ARG A1860 7.658 15.581 -47.541 1.00 0.00 H new ATOM 0 HD3 ARG A1860 7.012 14.322 -48.574 1.00 0.00 H new ATOM 0 HE ARG A1860 4.741 14.905 -47.513 1.00 0.00 H new ATOM 0 HH11 ARG A1860 7.189 17.437 -47.977 1.00 0.00 H new ATOM 0 HH12 ARG A1860 5.945 18.690 -48.027 1.00 0.00 H new ATOM 0 HH21 ARG A1860 3.297 16.555 -47.561 1.00 0.00 H new ATOM 0 HH22 ARG A1860 3.848 18.216 -47.803 1.00 0.00 H new ATOM 1431 N VAL A1861 8.279 15.386 -42.319 1.00 0.00 N ATOM 1432 CA VAL A1861 8.220 16.024 -40.987 1.00 0.00 C ATOM 1433 C VAL A1861 9.440 16.918 -40.742 1.00 0.00 C ATOM 1434 O VAL A1861 9.305 18.042 -40.255 1.00 0.00 O ATOM 1435 CB VAL A1861 8.100 14.966 -39.865 1.00 0.00 C ATOM 1436 CG1 VAL A1861 7.679 15.627 -38.547 1.00 0.00 C ATOM 1437 CG2 VAL A1861 7.071 13.872 -40.182 1.00 0.00 C ATOM 0 H VAL A1861 8.372 14.372 -42.266 1.00 0.00 H new ATOM 0 HA VAL A1861 7.328 16.650 -40.968 1.00 0.00 H new ATOM 0 HB VAL A1861 9.086 14.509 -39.783 1.00 0.00 H new ATOM 0 HG11 VAL A1861 7.599 14.868 -37.769 1.00 0.00 H new ATOM 0 HG12 VAL A1861 8.424 16.368 -38.257 1.00 0.00 H new ATOM 0 HG13 VAL A1861 6.714 16.116 -38.677 1.00 0.00 H new ATOM 0 HG21 VAL A1861 7.032 13.159 -39.358 1.00 0.00 H new ATOM 0 HG22 VAL A1861 6.089 14.325 -40.317 1.00 0.00 H new ATOM 0 HG23 VAL A1861 7.361 13.354 -41.096 1.00 0.00 H new