USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 613 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: A2011 LYS NZ :NH3+ 170:sc= 2.98 (180deg=2.5) USER MOD Set 1.2: A2015 TYR OH : rot -140:sc= 0.498 USER MOD Set 2.1: A1964 GLN : amide:sc= 0.981 K(o=3.1,f=1.2) USER MOD Set 2.2: A2002 THR OG1 : rot 86:sc= 2.14 USER MOD Single : A1955 SER OG : rot 180:sc= 0 USER MOD Single : A1958 LYS NZ :NH3+ 178:sc= 1.14 (180deg=1.12) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A1962 LYS NZ :NH3+ 159:sc= 1.17 (180deg=1.09) USER MOD Single : A1963 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= 0.473 K(o=0.47,f=-5.8!) USER MOD Single : A1981 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1989 SER OG : rot 180:sc= 0 USER MOD Single : A1996 THR OG1 : rot -179:sc=0.000571 USER MOD Single : A1997 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0 USER MOD Single : A2000 ASN : amide:sc= 0.119 K(o=0.12,f=-7!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A2003 TYR OH : rot 180:sc= 0 USER MOD Single : A2004 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.4) USER MOD Single : A2006 ASN : amide:sc= -0.0745 X(o=-0.074,f=0) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= 0 USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot -86:sc= 0.208 USER MOD Single : A2022 SER OG : rot -83:sc= 1.27 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A2030 SER OG : rot 180:sc= 0 USER MOD Single : A2031 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -7.889 -0.249 -6.131 1.00 0.00 N ATOM 286 CA SER A1955 -7.854 1.189 -5.937 1.00 0.00 C ATOM 287 C SER A1955 -7.839 1.573 -4.447 1.00 0.00 C ATOM 288 O SER A1955 -7.237 2.586 -4.086 1.00 0.00 O ATOM 289 CB SER A1955 -9.073 1.769 -6.679 1.00 0.00 C ATOM 290 OG SER A1955 -8.819 3.038 -7.235 1.00 0.00 O ATOM 0 HA SER A1955 -6.932 1.606 -6.341 1.00 0.00 H new ATOM 0 HB2 SER A1955 -9.371 1.083 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A1955 -9.913 1.841 -5.988 1.00 0.00 H new ATOM 0 HG SER A1955 -9.622 3.360 -7.695 1.00 0.00 H new ATOM 296 N GLU A1956 -8.529 0.818 -3.588 1.00 0.00 N ATOM 297 CA GLU A1956 -8.599 1.078 -2.152 1.00 0.00 C ATOM 298 C GLU A1956 -7.280 0.696 -1.504 1.00 0.00 C ATOM 299 O GLU A1956 -6.723 1.482 -0.744 1.00 0.00 O ATOM 300 CB GLU A1956 -9.767 0.334 -1.502 1.00 0.00 C ATOM 301 CG GLU A1956 -11.079 0.807 -2.144 1.00 0.00 C ATOM 302 CD GLU A1956 -12.253 1.067 -1.200 1.00 0.00 C ATOM 303 OE1 GLU A1956 -12.063 1.673 -0.126 1.00 0.00 O ATOM 304 OE2 GLU A1956 -13.378 0.700 -1.621 1.00 0.00 O ATOM 0 H GLU A1956 -9.062 -0.002 -3.877 1.00 0.00 H new ATOM 0 HA GLU A1956 -8.777 2.143 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.649 -0.741 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -9.783 0.523 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -10.876 1.725 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -11.389 0.059 -2.874 1.00 0.00 H new ATOM 311 N ILE A1957 -6.750 -0.483 -1.833 1.00 0.00 N ATOM 312 CA ILE A1957 -5.478 -0.929 -1.283 1.00 0.00 C ATOM 313 C ILE A1957 -4.445 0.104 -1.687 1.00 0.00 C ATOM 314 O ILE A1957 -3.708 0.606 -0.854 1.00 0.00 O ATOM 315 CB ILE A1957 -5.099 -2.309 -1.840 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.147 -3.344 -1.418 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.693 -2.766 -1.407 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.262 -4.431 -2.479 1.00 0.00 C ATOM 0 H ILE A1957 -7.185 -1.143 -2.478 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.537 -1.025 -0.199 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.078 -2.222 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -5.869 -3.786 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.113 -2.859 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.483 -3.748 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -2.952 -2.050 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.648 -2.824 -0.319 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.009 -5.163 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.561 -3.984 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.298 -4.925 -2.599 1.00 0.00 H new ATOM 330 N LYS A1958 -4.415 0.462 -2.968 1.00 0.00 N ATOM 331 CA LYS A1958 -3.472 1.418 -3.495 1.00 0.00 C ATOM 332 C LYS A1958 -3.457 2.727 -2.710 1.00 0.00 C ATOM 333 O LYS A1958 -2.370 3.204 -2.372 1.00 0.00 O ATOM 334 CB LYS A1958 -3.796 1.636 -4.975 1.00 0.00 C ATOM 335 CG LYS A1958 -2.839 2.645 -5.604 1.00 0.00 C ATOM 336 CD LYS A1958 -2.955 2.665 -7.121 1.00 0.00 C ATOM 337 CE LYS A1958 -4.343 3.070 -7.642 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.282 3.615 -9.014 1.00 0.00 N ATOM 0 H LYS A1958 -5.055 0.087 -3.668 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.462 1.020 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -3.731 0.688 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -4.822 1.990 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -3.049 3.639 -5.210 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -1.815 2.400 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.213 3.356 -7.522 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -2.709 1.675 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.004 2.203 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.777 3.815 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.243 3.844 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -3.700 4.477 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -3.860 2.908 -9.650 1.00 0.00 H new ATOM 352 N GLN A1959 -4.622 3.330 -2.449 1.00 0.00 N ATOM 353 CA GLN A1959 -4.638 4.582 -1.703 1.00 0.00 C ATOM 354 C GLN A1959 -4.190 4.354 -0.249 1.00 0.00 C ATOM 355 O GLN A1959 -3.446 5.179 0.277 1.00 0.00 O ATOM 356 CB GLN A1959 -6.004 5.302 -1.769 1.00 0.00 C ATOM 357 CG GLN A1959 -7.170 4.488 -1.192 1.00 0.00 C ATOM 358 CD GLN A1959 -8.533 5.172 -1.211 1.00 0.00 C ATOM 359 OE1 GLN A1959 -8.836 6.001 -2.065 1.00 0.00 O ATOM 360 NE2 GLN A1959 -9.419 4.784 -0.304 1.00 0.00 N ATOM 0 H GLN A1959 -5.537 2.981 -2.735 1.00 0.00 H new ATOM 0 HA GLN A1959 -3.922 5.248 -2.184 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -5.932 6.246 -1.229 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.224 5.546 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.246 3.554 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -6.930 4.227 -0.161 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -9.158 4.095 0.401 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -10.361 5.175 -0.312 1.00 0.00 H new ATOM 369 N VAL A1960 -4.598 3.244 0.386 1.00 0.00 N ATOM 370 CA VAL A1960 -4.242 2.946 1.768 1.00 0.00 C ATOM 371 C VAL A1960 -2.739 2.792 1.861 1.00 0.00 C ATOM 372 O VAL A1960 -2.100 3.407 2.708 1.00 0.00 O ATOM 373 CB VAL A1960 -4.954 1.674 2.267 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.332 1.156 3.576 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.434 1.957 2.511 1.00 0.00 C ATOM 0 H VAL A1960 -5.184 2.532 -0.051 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.567 3.767 2.407 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.838 0.915 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.859 0.258 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.281 0.920 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.415 1.922 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.925 1.050 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.536 2.740 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.900 2.284 1.581 1.00 0.00 H new ATOM 385 N LEU A1961 -2.162 1.979 0.973 1.00 0.00 N ATOM 386 CA LEU A1961 -0.743 1.726 0.930 1.00 0.00 C ATOM 387 C LEU A1961 -0.010 3.060 0.948 1.00 0.00 C ATOM 388 O LEU A1961 0.921 3.206 1.726 1.00 0.00 O ATOM 389 CB LEU A1961 -0.329 0.982 -0.336 1.00 0.00 C ATOM 390 CG LEU A1961 -0.683 -0.492 -0.471 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.199 -0.937 -1.853 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.082 -1.337 0.653 1.00 0.00 C ATOM 0 H LEU A1961 -2.687 1.476 0.258 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.490 1.109 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.769 1.506 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.753 1.071 -0.432 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.760 -0.635 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.431 -1.992 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.699 -0.347 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.878 -0.789 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.362 -2.381 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A1961 1.004 -1.247 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.459 -0.986 1.614 1.00 0.00 H new ATOM 404 N LYS A1962 -0.424 4.026 0.118 1.00 0.00 N ATOM 405 CA LYS A1962 0.213 5.329 0.056 1.00 0.00 C ATOM 406 C LYS A1962 0.266 5.966 1.434 1.00 0.00 C ATOM 407 O LYS A1962 1.322 6.435 1.841 1.00 0.00 O ATOM 408 CB LYS A1962 -0.536 6.238 -0.922 1.00 0.00 C ATOM 409 CG LYS A1962 0.379 7.383 -1.363 1.00 0.00 C ATOM 410 CD LYS A1962 -0.341 8.411 -2.223 1.00 0.00 C ATOM 411 CE LYS A1962 -0.799 7.963 -3.595 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.183 7.444 -3.579 1.00 0.00 N ATOM 0 H LYS A1962 -1.209 3.918 -0.524 1.00 0.00 H new ATOM 0 HA LYS A1962 1.235 5.197 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -0.862 5.665 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.433 6.638 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.789 7.876 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.222 6.975 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.214 8.761 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.320 9.268 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.735 8.801 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.127 7.189 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.580 7.484 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.180 6.459 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.764 8.024 -2.940 1.00 0.00 H new ATOM 426 N GLN A1963 -0.858 5.972 2.140 1.00 0.00 N ATOM 427 CA GLN A1963 -0.966 6.556 3.463 1.00 0.00 C ATOM 428 C GLN A1963 -0.050 5.871 4.476 1.00 0.00 C ATOM 429 O GLN A1963 0.562 6.553 5.297 1.00 0.00 O ATOM 430 CB GLN A1963 -2.454 6.582 3.880 1.00 0.00 C ATOM 431 CG GLN A1963 -2.885 5.666 5.035 1.00 0.00 C ATOM 432 CD GLN A1963 -4.379 5.826 5.291 1.00 0.00 C ATOM 433 OE1 GLN A1963 -5.216 5.353 4.520 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.753 6.529 6.342 1.00 0.00 N ATOM 0 H GLN A1963 -1.730 5.565 1.801 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.610 7.586 3.438 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.709 7.607 4.151 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -3.052 6.325 3.006 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.657 4.628 4.792 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.324 5.913 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -4.051 6.916 6.973 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.744 6.686 6.524 1.00 0.00 H new ATOM 443 N GLN A1964 0.059 4.541 4.415 1.00 0.00 N ATOM 444 CA GLN A1964 0.869 3.763 5.338 1.00 0.00 C ATOM 445 C GLN A1964 2.344 4.021 5.074 1.00 0.00 C ATOM 446 O GLN A1964 3.172 4.129 5.975 1.00 0.00 O ATOM 447 CB GLN A1964 0.518 2.268 5.181 1.00 0.00 C ATOM 448 CG GLN A1964 -0.968 1.983 5.447 1.00 0.00 C ATOM 449 CD GLN A1964 -1.176 0.750 6.312 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.012 0.777 7.527 1.00 0.00 O ATOM 451 NE2 GLN A1964 -1.509 -0.372 5.699 1.00 0.00 N ATOM 0 H GLN A1964 -0.420 3.975 3.715 1.00 0.00 H new ATOM 0 HA GLN A1964 0.660 4.061 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.773 1.942 4.173 1.00 0.00 H new ATOM 0 HB3 GLN A1964 1.126 1.681 5.869 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.419 2.847 5.936 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.485 1.848 4.497 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -1.642 -0.380 4.688 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -1.633 -1.230 6.237 1.00 0.00 H new ATOM 460 N LEU A1965 2.693 4.068 3.791 1.00 0.00 N ATOM 461 CA LEU A1965 4.061 4.299 3.369 1.00 0.00 C ATOM 462 C LEU A1965 4.435 5.750 3.677 1.00 0.00 C ATOM 463 O LEU A1965 5.584 6.009 4.019 1.00 0.00 O ATOM 464 CB LEU A1965 4.225 3.874 1.891 1.00 0.00 C ATOM 465 CG LEU A1965 4.718 4.971 0.949 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.237 5.133 1.048 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.362 4.669 -0.495 1.00 0.00 C ATOM 0 H LEU A1965 2.034 3.947 3.022 1.00 0.00 H new ATOM 0 HA LEU A1965 4.770 3.684 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A1965 4.923 3.038 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.265 3.508 1.526 1.00 0.00 H new ATOM 0 HG LEU A1965 4.224 5.893 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.564 5.920 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.509 5.400 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.721 4.195 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.729 5.471 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.822 3.727 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.279 4.592 -0.594 1.00 0.00 H new ATOM 479 N ALA A1966 3.484 6.688 3.603 1.00 0.00 N ATOM 480 CA ALA A1966 3.765 8.080 3.869 1.00 0.00 C ATOM 481 C ALA A1966 4.278 8.247 5.288 1.00 0.00 C ATOM 482 O ALA A1966 5.304 8.886 5.504 1.00 0.00 O ATOM 483 CB ALA A1966 2.521 8.937 3.641 1.00 0.00 C ATOM 0 H ALA A1966 2.513 6.495 3.359 1.00 0.00 H new ATOM 0 HA ALA A1966 4.537 8.417 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.756 9.981 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.194 8.836 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.724 8.606 4.307 1.00 0.00 H new ATOM 489 N GLU A1967 3.595 7.637 6.255 1.00 0.00 N ATOM 490 CA GLU A1967 4.019 7.755 7.639 1.00 0.00 C ATOM 491 C GLU A1967 5.353 7.024 7.833 1.00 0.00 C ATOM 492 O GLU A1967 6.156 7.426 8.675 1.00 0.00 O ATOM 493 CB GLU A1967 2.947 7.249 8.616 1.00 0.00 C ATOM 494 CG GLU A1967 1.515 7.660 8.232 1.00 0.00 C ATOM 495 CD GLU A1967 0.670 8.151 9.413 1.00 0.00 C ATOM 496 OE1 GLU A1967 0.348 7.342 10.312 1.00 0.00 O ATOM 497 OE2 GLU A1967 0.263 9.340 9.421 1.00 0.00 O ATOM 0 H GLU A1967 2.762 7.068 6.106 1.00 0.00 H new ATOM 0 HA GLU A1967 4.162 8.812 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A1967 3.001 6.162 8.669 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.169 7.629 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A1967 1.563 8.448 7.480 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.015 6.809 7.770 1.00 0.00 H new ATOM 504 N ALA A1968 5.609 5.969 7.048 1.00 0.00 N ATOM 505 CA ALA A1968 6.842 5.194 7.111 1.00 0.00 C ATOM 506 C ALA A1968 8.027 5.996 6.573 1.00 0.00 C ATOM 507 O ALA A1968 9.170 5.691 6.907 1.00 0.00 O ATOM 508 CB ALA A1968 6.707 3.893 6.318 1.00 0.00 C ATOM 0 H ALA A1968 4.953 5.630 6.344 1.00 0.00 H new ATOM 0 HA ALA A1968 7.024 4.958 8.159 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.639 3.331 6.379 1.00 0.00 H new ATOM 0 HB2 ALA A1968 5.895 3.296 6.734 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.490 4.123 5.275 1.00 0.00 H new ATOM 514 N LEU A1969 7.774 6.995 5.721 1.00 0.00 N ATOM 515 CA LEU A1969 8.790 7.862 5.137 1.00 0.00 C ATOM 516 C LEU A1969 8.723 9.259 5.771 1.00 0.00 C ATOM 517 O LEU A1969 9.357 10.185 5.263 1.00 0.00 O ATOM 518 CB LEU A1969 8.675 7.953 3.602 1.00 0.00 C ATOM 519 CG LEU A1969 8.936 6.666 2.806 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.163 7.018 1.330 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.162 5.884 3.285 1.00 0.00 C ATOM 0 H LEU A1969 6.829 7.225 5.413 1.00 0.00 H new ATOM 0 HA LEU A1969 9.761 7.417 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.673 8.305 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.374 8.714 3.254 1.00 0.00 H new ATOM 0 HG LEU A1969 8.057 6.038 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.349 6.106 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.278 7.517 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A1969 10.024 7.681 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.283 4.988 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.051 6.508 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.026 5.598 4.328 1.00 0.00 H new ATOM 533 N TYR A1970 7.959 9.420 6.858 1.00 0.00 N ATOM 534 CA TYR A1970 7.764 10.668 7.592 1.00 0.00 C ATOM 535 C TYR A1970 7.364 11.810 6.649 1.00 0.00 C ATOM 536 O TYR A1970 7.905 12.919 6.702 1.00 0.00 O ATOM 537 CB TYR A1970 9.006 10.957 8.452 1.00 0.00 C ATOM 538 CG TYR A1970 9.499 9.768 9.261 1.00 0.00 C ATOM 539 CD1 TYR A1970 8.595 9.015 10.034 1.00 0.00 C ATOM 540 CD2 TYR A1970 10.854 9.389 9.208 1.00 0.00 C ATOM 541 CE1 TYR A1970 9.036 7.893 10.751 1.00 0.00 C ATOM 542 CE2 TYR A1970 11.306 8.279 9.942 1.00 0.00 C ATOM 543 CZ TYR A1970 10.397 7.535 10.730 1.00 0.00 C ATOM 544 OH TYR A1970 10.817 6.489 11.490 1.00 0.00 O ATOM 0 H TYR A1970 7.437 8.645 7.266 1.00 0.00 H new ATOM 0 HA TYR A1970 6.925 10.572 8.281 1.00 0.00 H new ATOM 0 HB2 TYR A1970 9.812 11.298 7.802 1.00 0.00 H new ATOM 0 HB3 TYR A1970 8.778 11.776 9.134 1.00 0.00 H new ATOM 0 HD1 TYR A1970 7.555 9.303 10.075 1.00 0.00 H new ATOM 0 HD2 TYR A1970 11.548 9.953 8.602 1.00 0.00 H new ATOM 0 HE1 TYR A1970 8.331 7.304 11.319 1.00 0.00 H new ATOM 0 HE2 TYR A1970 12.347 7.994 9.904 1.00 0.00 H new ATOM 0 HH TYR A1970 11.781 6.363 11.369 1.00 0.00 H new ATOM 554 N THR A1971 6.419 11.526 5.757 1.00 0.00 N ATOM 555 CA THR A1971 5.898 12.442 4.752 1.00 0.00 C ATOM 556 C THR A1971 4.378 12.307 4.714 1.00 0.00 C ATOM 557 O THR A1971 3.772 11.675 5.585 1.00 0.00 O ATOM 558 CB THR A1971 6.597 12.123 3.416 1.00 0.00 C ATOM 559 OG1 THR A1971 6.475 13.152 2.456 1.00 0.00 O ATOM 560 CG2 THR A1971 6.079 10.827 2.779 1.00 0.00 C ATOM 0 H THR A1971 5.977 10.608 5.715 1.00 0.00 H new ATOM 0 HA THR A1971 6.107 13.487 4.980 1.00 0.00 H new ATOM 0 HB THR A1971 7.647 12.015 3.689 1.00 0.00 H new ATOM 0 HG1 THR A1971 6.940 12.889 1.634 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.604 10.648 1.840 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.255 9.992 3.458 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.010 10.919 2.586 1.00 0.00 H new ATOM 568 N GLU A1972 3.746 12.939 3.731 1.00 0.00 N ATOM 569 CA GLU A1972 2.307 12.908 3.534 1.00 0.00 C ATOM 570 C GLU A1972 2.011 12.212 2.210 1.00 0.00 C ATOM 571 O GLU A1972 2.719 12.386 1.223 1.00 0.00 O ATOM 572 CB GLU A1972 1.716 14.330 3.595 1.00 0.00 C ATOM 573 CG GLU A1972 2.107 15.257 2.432 1.00 0.00 C ATOM 574 CD GLU A1972 1.582 16.675 2.651 1.00 0.00 C ATOM 575 OE1 GLU A1972 0.346 16.868 2.667 1.00 0.00 O ATOM 576 OE2 GLU A1972 2.391 17.612 2.852 1.00 0.00 O ATOM 0 H GLU A1972 4.235 13.500 3.034 1.00 0.00 H new ATOM 0 HA GLU A1972 1.830 12.344 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.629 14.252 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A1972 2.029 14.796 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.192 15.280 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A1972 1.709 14.860 1.498 1.00 0.00 H new ATOM 583 N GLU A1973 0.947 11.418 2.162 1.00 0.00 N ATOM 584 CA GLU A1973 0.551 10.719 0.944 1.00 0.00 C ATOM 585 C GLU A1973 0.125 11.691 -0.142 1.00 0.00 C ATOM 586 O GLU A1973 0.083 11.337 -1.317 1.00 0.00 O ATOM 587 CB GLU A1973 -0.533 9.688 1.236 1.00 0.00 C ATOM 588 CG GLU A1973 -1.728 10.114 2.095 1.00 0.00 C ATOM 589 CD GLU A1973 -2.903 10.710 1.298 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.296 10.132 0.254 1.00 0.00 O ATOM 591 OE2 GLU A1973 -3.484 11.718 1.758 1.00 0.00 O ATOM 0 H GLU A1973 0.338 11.241 2.961 1.00 0.00 H new ATOM 0 HA GLU A1973 1.422 10.183 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -0.920 9.333 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.059 8.837 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -2.085 9.249 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.391 10.849 2.826 1.00 0.00 H new ATOM 598 N SER A1974 -0.203 12.915 0.240 1.00 0.00 N ATOM 599 CA SER A1974 -0.608 13.916 -0.720 1.00 0.00 C ATOM 600 C SER A1974 0.527 14.190 -1.721 1.00 0.00 C ATOM 601 O SER A1974 0.256 14.534 -2.873 1.00 0.00 O ATOM 602 CB SER A1974 -1.025 15.189 0.025 1.00 0.00 C ATOM 603 OG SER A1974 -1.915 15.995 -0.722 1.00 0.00 O ATOM 0 H SER A1974 -0.195 13.234 1.209 1.00 0.00 H new ATOM 0 HA SER A1974 -1.462 13.554 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A1974 -1.496 14.914 0.969 1.00 0.00 H new ATOM 0 HB3 SER A1974 -0.135 15.769 0.270 1.00 0.00 H new ATOM 0 HG SER A1974 -2.150 16.792 -0.202 1.00 0.00 H new ATOM 609 N GLU A1975 1.794 13.998 -1.336 1.00 0.00 N ATOM 610 CA GLU A1975 2.925 14.253 -2.216 1.00 0.00 C ATOM 611 C GLU A1975 3.512 12.988 -2.860 1.00 0.00 C ATOM 612 O GLU A1975 4.446 13.114 -3.655 1.00 0.00 O ATOM 613 CB GLU A1975 3.975 15.095 -1.471 1.00 0.00 C ATOM 614 CG GLU A1975 4.730 14.389 -0.337 1.00 0.00 C ATOM 615 CD GLU A1975 5.905 15.253 0.113 1.00 0.00 C ATOM 616 OE1 GLU A1975 7.008 15.127 -0.460 1.00 0.00 O ATOM 617 OE2 GLU A1975 5.727 16.126 0.994 1.00 0.00 O ATOM 0 H GLU A1975 2.056 13.663 -0.409 1.00 0.00 H new ATOM 0 HA GLU A1975 2.559 14.827 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A1975 4.705 15.453 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A1975 3.479 15.973 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A1975 4.058 14.206 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A1975 5.089 13.417 -0.676 1.00 0.00 H new ATOM 624 N ILE A1976 2.984 11.791 -2.581 1.00 0.00 N ATOM 625 CA ILE A1976 3.490 10.526 -3.122 1.00 0.00 C ATOM 626 C ILE A1976 2.728 10.107 -4.378 1.00 0.00 C ATOM 627 O ILE A1976 1.495 10.129 -4.426 1.00 0.00 O ATOM 628 CB ILE A1976 3.385 9.418 -2.050 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.181 9.792 -0.789 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.799 8.021 -2.568 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.910 8.820 0.355 1.00 0.00 C ATOM 0 H ILE A1976 2.181 11.673 -1.963 1.00 0.00 H new ATOM 0 HA ILE A1976 4.534 10.673 -3.398 1.00 0.00 H new ATOM 0 HB ILE A1976 2.328 9.348 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.247 9.796 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.918 10.803 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.701 7.291 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A1976 3.153 7.735 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.834 8.051 -2.907 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.490 9.116 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.848 8.835 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.198 7.813 0.053 1.00 0.00 H new ATOM 643 N ALA A1977 3.468 9.672 -5.392 1.00 0.00 N ATOM 644 CA ALA A1977 2.926 9.197 -6.649 1.00 0.00 C ATOM 645 C ALA A1977 2.748 7.680 -6.566 1.00 0.00 C ATOM 646 O ALA A1977 3.481 6.972 -5.873 1.00 0.00 O ATOM 647 CB ALA A1977 3.853 9.599 -7.785 1.00 0.00 C ATOM 0 H ALA A1977 4.487 9.641 -5.356 1.00 0.00 H new ATOM 0 HA ALA A1977 1.952 9.646 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.446 9.242 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A1977 3.942 10.685 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A1977 4.837 9.159 -7.625 1.00 0.00 H new ATOM 653 N GLU A1978 1.786 7.160 -7.320 1.00 0.00 N ATOM 654 CA GLU A1978 1.441 5.736 -7.347 1.00 0.00 C ATOM 655 C GLU A1978 2.351 4.902 -8.235 1.00 0.00 C ATOM 656 O GLU A1978 2.435 3.688 -8.057 1.00 0.00 O ATOM 657 CB GLU A1978 -0.039 5.599 -7.742 1.00 0.00 C ATOM 658 CG GLU A1978 -0.924 6.327 -6.719 1.00 0.00 C ATOM 659 CD GLU A1978 -2.427 6.301 -6.987 1.00 0.00 C ATOM 660 OE1 GLU A1978 -2.893 5.712 -7.983 1.00 0.00 O ATOM 661 OE2 GLU A1978 -3.136 6.895 -6.137 1.00 0.00 O ATOM 0 H GLU A1978 1.210 7.725 -7.944 1.00 0.00 H new ATOM 0 HA GLU A1978 1.597 5.330 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A1978 -0.199 6.016 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.315 4.546 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.744 5.889 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.603 7.367 -6.668 1.00 0.00 H new ATOM 668 N ASP A1979 3.058 5.575 -9.136 1.00 0.00 N ATOM 669 CA ASP A1979 3.990 5.025 -10.109 1.00 0.00 C ATOM 670 C ASP A1979 5.439 5.408 -9.775 1.00 0.00 C ATOM 671 O ASP A1979 6.332 5.185 -10.594 1.00 0.00 O ATOM 672 CB ASP A1979 3.563 5.529 -11.500 1.00 0.00 C ATOM 673 CG ASP A1979 3.812 4.536 -12.635 1.00 0.00 C ATOM 674 OD1 ASP A1979 4.691 3.651 -12.551 1.00 0.00 O ATOM 675 OD2 ASP A1979 3.107 4.639 -13.667 1.00 0.00 O ATOM 0 H ASP A1979 2.989 6.590 -9.209 1.00 0.00 H new ATOM 0 HA ASP A1979 3.960 3.936 -10.089 1.00 0.00 H new ATOM 0 HB2 ASP A1979 2.501 5.774 -11.474 1.00 0.00 H new ATOM 0 HB3 ASP A1979 4.098 6.453 -11.718 1.00 0.00 H new ATOM 680 N GLN A1980 5.680 6.066 -8.630 1.00 0.00 N ATOM 681 CA GLN A1980 7.026 6.464 -8.204 1.00 0.00 C ATOM 682 C GLN A1980 7.556 5.407 -7.252 1.00 0.00 C ATOM 683 O GLN A1980 6.813 4.874 -6.423 1.00 0.00 O ATOM 684 CB GLN A1980 7.059 7.840 -7.530 1.00 0.00 C ATOM 685 CG GLN A1980 8.457 8.249 -7.028 1.00 0.00 C ATOM 686 CD GLN A1980 9.470 8.371 -8.163 1.00 0.00 C ATOM 687 OE1 GLN A1980 10.053 7.384 -8.608 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.645 9.566 -8.691 1.00 0.00 N ATOM 0 H GLN A1980 4.946 6.336 -7.975 1.00 0.00 H new ATOM 0 HA GLN A1980 7.652 6.544 -9.093 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.702 8.590 -8.236 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.366 7.840 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.387 9.202 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.811 7.513 -6.306 1.00 0.00 H new ATOM 0 HE21 GLN A1980 9.151 10.371 -8.306 1.00 0.00 H new ATOM 0 HE22 GLN A1980 10.274 9.686 -9.485 1.00 0.00 H new ATOM 697 N LYS A1981 8.847 5.119 -7.357 1.00 0.00 N ATOM 698 CA LYS A1981 9.515 4.119 -6.549 1.00 0.00 C ATOM 699 C LYS A1981 9.685 4.586 -5.116 1.00 0.00 C ATOM 700 O LYS A1981 10.183 5.683 -4.877 1.00 0.00 O ATOM 701 CB LYS A1981 10.829 3.715 -7.218 1.00 0.00 C ATOM 702 CG LYS A1981 10.482 3.241 -8.637 1.00 0.00 C ATOM 703 CD LYS A1981 11.411 2.175 -9.187 1.00 0.00 C ATOM 704 CE LYS A1981 10.675 1.630 -10.415 1.00 0.00 C ATOM 705 NZ LYS A1981 11.446 0.638 -11.188 1.00 0.00 N ATOM 0 H LYS A1981 9.467 5.585 -8.020 1.00 0.00 H new ATOM 0 HA LYS A1981 8.894 3.226 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.520 4.557 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.320 2.921 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.463 2.854 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.497 4.100 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.381 2.593 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.595 1.391 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A1981 9.739 1.175 -10.092 1.00 0.00 H new ATOM 0 HE3 LYS A1981 10.416 2.463 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 10.882 0.317 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.328 1.072 -11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 11.672 -0.176 -10.581 1.00 0.00 H new ATOM 719 N PHE A1982 9.335 3.736 -4.153 1.00 0.00 N ATOM 720 CA PHE A1982 9.460 4.066 -2.735 1.00 0.00 C ATOM 721 C PHE A1982 10.919 4.367 -2.410 1.00 0.00 C ATOM 722 O PHE A1982 11.218 5.301 -1.672 1.00 0.00 O ATOM 723 CB PHE A1982 8.944 2.936 -1.840 1.00 0.00 C ATOM 724 CG PHE A1982 7.678 2.273 -2.292 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.559 3.079 -2.497 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.600 0.880 -2.464 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.356 2.486 -2.886 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.377 0.286 -2.822 1.00 0.00 C ATOM 729 CZ PHE A1982 5.244 1.092 -3.022 1.00 0.00 C ATOM 0 H PHE A1982 8.959 2.805 -4.332 1.00 0.00 H new ATOM 0 HA PHE A1982 8.847 4.945 -2.537 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.722 2.176 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.785 3.335 -0.838 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.622 4.148 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.478 0.267 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.497 3.110 -3.086 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.309 -0.785 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.295 0.644 -3.278 1.00 0.00 H new ATOM 739 N VAL A1983 11.850 3.588 -2.970 1.00 0.00 N ATOM 740 CA VAL A1983 13.279 3.762 -2.734 1.00 0.00 C ATOM 741 C VAL A1983 13.750 5.144 -3.198 1.00 0.00 C ATOM 742 O VAL A1983 14.652 5.718 -2.583 1.00 0.00 O ATOM 743 CB VAL A1983 14.083 2.617 -3.381 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.648 1.264 -2.805 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.939 2.540 -4.908 1.00 0.00 C ATOM 0 H VAL A1983 11.629 2.818 -3.601 1.00 0.00 H new ATOM 0 HA VAL A1983 13.462 3.713 -1.661 1.00 0.00 H new ATOM 0 HB VAL A1983 15.125 2.837 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.226 0.467 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A1983 13.821 1.254 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.588 1.108 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.534 1.710 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.892 2.385 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A1983 14.289 3.471 -5.354 1.00 0.00 H new ATOM 755 N ASP A1984 13.139 5.693 -4.254 1.00 0.00 N ATOM 756 CA ASP A1984 13.474 7.008 -4.795 1.00 0.00 C ATOM 757 C ASP A1984 12.978 8.090 -3.833 1.00 0.00 C ATOM 758 O ASP A1984 13.546 9.182 -3.790 1.00 0.00 O ATOM 759 CB ASP A1984 12.932 7.193 -6.230 1.00 0.00 C ATOM 760 CG ASP A1984 13.928 6.714 -7.292 1.00 0.00 C ATOM 761 OD1 ASP A1984 15.011 7.335 -7.416 1.00 0.00 O ATOM 762 OD2 ASP A1984 13.647 5.728 -8.008 1.00 0.00 O ATOM 0 H ASP A1984 12.387 5.226 -4.762 1.00 0.00 H new ATOM 0 HA ASP A1984 14.557 7.096 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A1984 11.997 6.643 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A1984 12.704 8.246 -6.397 1.00 0.00 H new ATOM 767 N LEU A1985 11.938 7.809 -3.039 1.00 0.00 N ATOM 768 CA LEU A1985 11.410 8.746 -2.050 1.00 0.00 C ATOM 769 C LEU A1985 12.234 8.629 -0.763 1.00 0.00 C ATOM 770 O LEU A1985 12.483 9.638 -0.107 1.00 0.00 O ATOM 771 CB LEU A1985 9.916 8.503 -1.756 1.00 0.00 C ATOM 772 CG LEU A1985 8.951 8.673 -2.946 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.514 8.885 -2.455 1.00 0.00 C ATOM 774 CD2 LEU A1985 9.328 9.857 -3.844 1.00 0.00 C ATOM 0 H LEU A1985 11.439 6.920 -3.068 1.00 0.00 H new ATOM 0 HA LEU A1985 11.491 9.754 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.804 7.491 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.607 9.186 -0.964 1.00 0.00 H new ATOM 0 HG LEU A1985 9.026 7.754 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.850 9.003 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.199 8.022 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.469 9.781 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.616 9.931 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A1985 9.306 10.778 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.330 9.705 -4.245 1.00 0.00 H new ATOM 786 N GLY A1986 12.732 7.432 -0.434 1.00 0.00 N ATOM 787 CA GLY A1986 13.533 7.191 0.767 1.00 0.00 C ATOM 788 C GLY A1986 13.296 5.852 1.466 1.00 0.00 C ATOM 789 O GLY A1986 13.660 5.691 2.630 1.00 0.00 O ATOM 0 H GLY A1986 12.588 6.596 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.587 7.257 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.335 7.992 1.480 1.00 0.00 H new ATOM 793 N LEU A1987 12.655 4.894 0.796 1.00 0.00 N ATOM 794 CA LEU A1987 12.376 3.570 1.344 1.00 0.00 C ATOM 795 C LEU A1987 13.664 2.771 1.351 1.00 0.00 C ATOM 796 O LEU A1987 14.159 2.327 0.318 1.00 0.00 O ATOM 797 CB LEU A1987 11.289 2.906 0.506 1.00 0.00 C ATOM 798 CG LEU A1987 10.519 1.712 1.083 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.403 0.517 1.402 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.704 2.144 2.307 1.00 0.00 C ATOM 0 H LEU A1987 12.311 5.020 -0.156 1.00 0.00 H new ATOM 0 HA LEU A1987 12.011 3.632 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.559 3.673 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.749 2.579 -0.427 1.00 0.00 H new ATOM 0 HG LEU A1987 9.838 1.373 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.792 -0.290 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A1987 11.897 0.177 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.154 0.806 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.163 1.286 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.375 2.536 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A1987 8.993 2.918 2.016 1.00 0.00 H new ATOM 812 N ASP A1988 14.198 2.586 2.538 1.00 0.00 N ATOM 813 CA ASP A1988 15.432 1.860 2.760 1.00 0.00 C ATOM 814 C ASP A1988 15.136 0.391 3.055 1.00 0.00 C ATOM 815 O ASP A1988 13.994 -0.031 3.246 1.00 0.00 O ATOM 816 CB ASP A1988 16.206 2.481 3.921 1.00 0.00 C ATOM 817 CG ASP A1988 16.986 3.766 3.615 1.00 0.00 C ATOM 818 OD1 ASP A1988 16.792 4.387 2.544 1.00 0.00 O ATOM 819 OD2 ASP A1988 17.858 4.114 4.442 1.00 0.00 O ATOM 0 H ASP A1988 13.778 2.944 3.396 1.00 0.00 H new ATOM 0 HA ASP A1988 16.040 1.921 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.502 2.693 4.726 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.908 1.738 4.299 1.00 0.00 H new ATOM 824 N SER A1989 16.196 -0.409 3.124 1.00 0.00 N ATOM 825 CA SER A1989 16.117 -1.840 3.394 1.00 0.00 C ATOM 826 C SER A1989 15.380 -2.103 4.714 1.00 0.00 C ATOM 827 O SER A1989 14.632 -3.074 4.820 1.00 0.00 O ATOM 828 CB SER A1989 17.543 -2.410 3.421 1.00 0.00 C ATOM 829 OG SER A1989 17.597 -3.743 2.949 1.00 0.00 O ATOM 0 H SER A1989 17.150 -0.075 2.991 1.00 0.00 H new ATOM 0 HA SER A1989 15.548 -2.337 2.609 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.194 -1.784 2.811 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.928 -2.372 4.440 1.00 0.00 H new ATOM 0 HG SER A1989 18.522 -4.065 2.982 1.00 0.00 H new ATOM 835 N ILE A1990 15.552 -1.216 5.695 1.00 0.00 N ATOM 836 CA ILE A1990 14.954 -1.305 7.011 1.00 0.00 C ATOM 837 C ILE A1990 13.452 -1.031 6.924 1.00 0.00 C ATOM 838 O ILE A1990 12.645 -1.904 7.239 1.00 0.00 O ATOM 839 CB ILE A1990 15.678 -0.332 7.971 1.00 0.00 C ATOM 840 CG1 ILE A1990 17.202 -0.605 8.043 1.00 0.00 C ATOM 841 CG2 ILE A1990 15.092 -0.451 9.390 1.00 0.00 C ATOM 842 CD1 ILE A1990 18.066 0.146 7.018 1.00 0.00 C ATOM 0 H ILE A1990 16.136 -0.387 5.582 1.00 0.00 H new ATOM 0 HA ILE A1990 15.071 -2.312 7.411 1.00 0.00 H new ATOM 0 HB ILE A1990 15.525 0.672 7.576 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.551 -0.347 9.043 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.367 -1.675 7.914 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.610 0.239 10.057 1.00 0.00 H new ATOM 0 HG22 ILE A1990 14.030 -0.205 9.367 1.00 0.00 H new ATOM 0 HG23 ILE A1990 15.220 -1.471 9.752 1.00 0.00 H new ATOM 0 HD11 ILE A1990 19.113 -0.120 7.160 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.755 -0.128 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.943 1.220 7.156 1.00 0.00 H new ATOM 854 N VAL A1991 13.086 0.164 6.459 1.00 0.00 N ATOM 855 CA VAL A1991 11.701 0.604 6.336 1.00 0.00 C ATOM 856 C VAL A1991 10.859 -0.395 5.538 1.00 0.00 C ATOM 857 O VAL A1991 9.714 -0.666 5.890 1.00 0.00 O ATOM 858 CB VAL A1991 11.631 2.018 5.733 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.201 2.568 5.834 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.548 3.023 6.436 1.00 0.00 C ATOM 0 H VAL A1991 13.760 0.865 6.152 1.00 0.00 H new ATOM 0 HA VAL A1991 11.273 0.647 7.338 1.00 0.00 H new ATOM 0 HB VAL A1991 11.955 1.910 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.165 3.569 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.520 1.914 5.289 1.00 0.00 H new ATOM 0 HG13 VAL A1991 9.901 2.612 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.450 3.999 5.961 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.266 3.100 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.582 2.686 6.362 1.00 0.00 H new ATOM 870 N GLY A1992 11.412 -1.008 4.490 1.00 0.00 N ATOM 871 CA GLY A1992 10.642 -1.956 3.696 1.00 0.00 C ATOM 872 C GLY A1992 10.215 -3.207 4.464 1.00 0.00 C ATOM 873 O GLY A1992 9.177 -3.785 4.147 1.00 0.00 O ATOM 0 H GLY A1992 12.373 -0.866 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.752 -1.456 3.313 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.235 -2.257 2.832 1.00 0.00 H new ATOM 877 N VAL A1993 10.991 -3.639 5.457 1.00 0.00 N ATOM 878 CA VAL A1993 10.700 -4.818 6.269 1.00 0.00 C ATOM 879 C VAL A1993 9.593 -4.484 7.270 1.00 0.00 C ATOM 880 O VAL A1993 8.678 -5.282 7.483 1.00 0.00 O ATOM 881 CB VAL A1993 12.024 -5.236 6.955 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.888 -6.328 8.013 1.00 0.00 C ATOM 883 CG2 VAL A1993 13.084 -5.697 5.952 1.00 0.00 C ATOM 0 H VAL A1993 11.856 -3.170 5.724 1.00 0.00 H new ATOM 0 HA VAL A1993 10.335 -5.653 5.671 1.00 0.00 H new ATOM 0 HB VAL A1993 12.333 -4.317 7.454 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.868 -6.550 8.434 1.00 0.00 H new ATOM 0 HG12 VAL A1993 11.222 -5.986 8.805 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.477 -7.228 7.556 1.00 0.00 H new ATOM 0 HG21 VAL A1993 13.992 -5.978 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.709 -6.556 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.307 -4.885 5.260 1.00 0.00 H new ATOM 893 N GLU A1994 9.660 -3.330 7.928 1.00 0.00 N ATOM 894 CA GLU A1994 8.600 -2.970 8.868 1.00 0.00 C ATOM 895 C GLU A1994 7.311 -2.691 8.089 1.00 0.00 C ATOM 896 O GLU A1994 6.265 -3.255 8.413 1.00 0.00 O ATOM 897 CB GLU A1994 9.021 -1.822 9.792 1.00 0.00 C ATOM 898 CG GLU A1994 9.500 -0.577 9.050 1.00 0.00 C ATOM 899 CD GLU A1994 9.595 0.611 9.990 1.00 0.00 C ATOM 900 OE1 GLU A1994 10.653 0.767 10.630 1.00 0.00 O ATOM 901 OE2 GLU A1994 8.596 1.364 10.063 1.00 0.00 O ATOM 0 H GLU A1994 10.411 -2.646 7.834 1.00 0.00 H new ATOM 0 HA GLU A1994 8.407 -3.807 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A1994 8.178 -1.552 10.428 1.00 0.00 H new ATOM 0 HB3 GLU A1994 9.818 -2.171 10.449 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.474 -0.769 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A1994 8.813 -0.347 8.236 1.00 0.00 H new ATOM 908 N TRP A1995 7.394 -1.960 6.976 1.00 0.00 N ATOM 909 CA TRP A1995 6.229 -1.634 6.183 1.00 0.00 C ATOM 910 C TRP A1995 5.609 -2.879 5.557 1.00 0.00 C ATOM 911 O TRP A1995 4.382 -2.993 5.527 1.00 0.00 O ATOM 912 CB TRP A1995 6.589 -0.583 5.140 1.00 0.00 C ATOM 913 CG TRP A1995 5.387 -0.008 4.469 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.391 0.666 5.086 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.021 -0.068 3.065 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.431 1.005 4.158 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.783 0.605 2.888 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.632 -0.605 1.917 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.207 0.772 1.623 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.082 -0.412 0.635 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.884 0.307 0.487 1.00 0.00 C ATOM 0 H TRP A1995 8.268 -1.584 6.609 1.00 0.00 H new ATOM 0 HA TRP A1995 5.467 -1.212 6.839 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.153 0.219 5.617 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.241 -1.029 4.389 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.354 0.901 6.139 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.564 1.493 4.384 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.542 -1.177 2.021 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.247 1.256 1.523 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.581 -0.816 -0.234 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.486 0.501 -0.498 1.00 0.00 H new ATOM 932 N THR A1996 6.409 -3.847 5.081 1.00 0.00 N ATOM 933 CA THR A1996 5.807 -5.049 4.508 1.00 0.00 C ATOM 934 C THR A1996 4.994 -5.775 5.587 1.00 0.00 C ATOM 935 O THR A1996 4.036 -6.476 5.263 1.00 0.00 O ATOM 936 CB THR A1996 6.805 -5.979 3.804 1.00 0.00 C ATOM 937 OG1 THR A1996 6.110 -6.732 2.824 1.00 0.00 O ATOM 938 CG2 THR A1996 7.497 -6.957 4.754 1.00 0.00 C ATOM 0 H THR A1996 7.429 -3.822 5.082 1.00 0.00 H new ATOM 0 HA THR A1996 5.140 -4.727 3.709 1.00 0.00 H new ATOM 0 HB THR A1996 7.577 -5.345 3.368 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.734 -7.340 2.376 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.188 -7.584 4.191 1.00 0.00 H new ATOM 0 HG22 THR A1996 8.048 -6.400 5.512 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.749 -7.585 5.237 1.00 0.00 H new ATOM 946 N THR A1997 5.397 -5.641 6.851 1.00 0.00 N ATOM 947 CA THR A1997 4.713 -6.264 7.957 1.00 0.00 C ATOM 948 C THR A1997 3.394 -5.530 8.194 1.00 0.00 C ATOM 949 O THR A1997 2.350 -6.176 8.236 1.00 0.00 O ATOM 950 CB THR A1997 5.635 -6.292 9.177 1.00 0.00 C ATOM 951 OG1 THR A1997 6.872 -6.907 8.833 1.00 0.00 O ATOM 952 CG2 THR A1997 4.893 -7.046 10.267 1.00 0.00 C ATOM 0 H THR A1997 6.212 -5.092 7.125 1.00 0.00 H new ATOM 0 HA THR A1997 4.464 -7.303 7.741 1.00 0.00 H new ATOM 0 HB THR A1997 5.880 -5.291 9.531 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.439 -6.261 8.362 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.512 -7.093 11.163 1.00 0.00 H new ATOM 0 HG22 THR A1997 3.961 -6.529 10.497 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.672 -8.057 9.924 1.00 0.00 H new ATOM 960 N THR A1998 3.409 -4.197 8.239 1.00 0.00 N ATOM 961 CA THR A1998 2.217 -3.370 8.428 1.00 0.00 C ATOM 962 C THR A1998 1.183 -3.737 7.350 1.00 0.00 C ATOM 963 O THR A1998 -0.021 -3.774 7.595 1.00 0.00 O ATOM 964 CB THR A1998 2.672 -1.900 8.317 1.00 0.00 C ATOM 965 OG1 THR A1998 3.592 -1.639 9.363 1.00 0.00 O ATOM 966 CG2 THR A1998 1.533 -0.881 8.339 1.00 0.00 C ATOM 0 H THR A1998 4.266 -3.652 8.143 1.00 0.00 H new ATOM 0 HA THR A1998 1.747 -3.530 9.398 1.00 0.00 H new ATOM 0 HB THR A1998 3.136 -1.779 7.338 1.00 0.00 H new ATOM 0 HG1 THR A1998 3.894 -0.708 9.308 1.00 0.00 H new ATOM 0 HG21 THR A1998 1.943 0.125 8.256 1.00 0.00 H new ATOM 0 HG22 THR A1998 0.861 -1.069 7.502 1.00 0.00 H new ATOM 0 HG23 THR A1998 0.981 -0.972 9.275 1.00 0.00 H new ATOM 974 N ILE A1999 1.654 -4.062 6.146 1.00 0.00 N ATOM 975 CA ILE A1999 0.803 -4.442 5.027 1.00 0.00 C ATOM 976 C ILE A1999 0.124 -5.782 5.322 1.00 0.00 C ATOM 977 O ILE A1999 -1.072 -5.941 5.073 1.00 0.00 O ATOM 978 CB ILE A1999 1.660 -4.506 3.744 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.874 -3.073 3.229 1.00 0.00 C ATOM 980 CG2 ILE A1999 1.014 -5.383 2.662 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.842 -3.004 2.050 1.00 0.00 C ATOM 0 H ILE A1999 2.649 -4.068 5.922 1.00 0.00 H new ATOM 0 HA ILE A1999 0.017 -3.701 4.880 1.00 0.00 H new ATOM 0 HB ILE A1999 2.618 -4.967 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.914 -2.653 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.254 -2.453 4.041 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.651 -5.399 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.893 -6.398 3.041 1.00 0.00 H new ATOM 0 HG23 ILE A1999 0.038 -4.976 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A1999 2.953 -1.968 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.813 -3.396 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.452 -3.599 1.224 1.00 0.00 H new ATOM 993 N ASN A2000 0.891 -6.767 5.794 1.00 0.00 N ATOM 994 CA ASN A2000 0.377 -8.098 6.098 1.00 0.00 C ATOM 995 C ASN A2000 -0.679 -8.016 7.159 1.00 0.00 C ATOM 996 O ASN A2000 -1.671 -8.717 7.102 1.00 0.00 O ATOM 997 CB ASN A2000 1.469 -8.996 6.686 1.00 0.00 C ATOM 998 CG ASN A2000 2.551 -9.305 5.694 1.00 0.00 C ATOM 999 OD1 ASN A2000 2.284 -9.451 4.511 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.781 -9.406 6.154 1.00 0.00 N ATOM 0 H ASN A2000 1.889 -6.660 5.976 1.00 0.00 H new ATOM 0 HA ASN A2000 -0.006 -8.502 5.161 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.907 -8.508 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A2000 1.022 -9.927 7.034 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.549 -9.613 5.515 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.966 -9.278 7.149 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.430 -7.169 8.135 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.300 -6.934 9.265 1.00 0.00 C ATOM 1009 C GLN A2001 -2.593 -6.273 8.790 1.00 0.00 C ATOM 1010 O GLN A2001 -3.678 -6.600 9.270 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.526 -6.070 10.266 1.00 0.00 C ATOM 1012 CG GLN A2001 0.710 -6.800 10.816 1.00 0.00 C ATOM 1013 CD GLN A2001 0.424 -7.394 12.186 1.00 0.00 C ATOM 1014 OE1 GLN A2001 -0.318 -8.369 12.307 1.00 0.00 O ATOM 1015 NE2 GLN A2001 0.988 -6.830 13.239 1.00 0.00 N ATOM 0 H GLN A2001 0.418 -6.603 8.163 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.591 -7.863 9.755 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.216 -5.144 9.782 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.182 -5.794 11.091 1.00 0.00 H new ATOM 0 HG2 GLN A2001 1.007 -7.591 10.127 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.547 -6.105 10.884 1.00 0.00 H new ATOM 0 HE21 GLN A2001 1.600 -6.023 13.119 1.00 0.00 H new ATOM 0 HE22 GLN A2001 0.812 -7.202 14.172 1.00 0.00 H new ATOM 1024 N THR A2002 -2.497 -5.397 7.791 1.00 0.00 N ATOM 1025 CA THR A2002 -3.632 -4.687 7.256 1.00 0.00 C ATOM 1026 C THR A2002 -4.565 -5.595 6.456 1.00 0.00 C ATOM 1027 O THR A2002 -5.778 -5.505 6.644 1.00 0.00 O ATOM 1028 CB THR A2002 -3.138 -3.507 6.407 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.420 -2.592 7.209 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.286 -2.730 5.765 1.00 0.00 C ATOM 0 H THR A2002 -1.615 -5.166 7.333 1.00 0.00 H new ATOM 0 HA THR A2002 -4.222 -4.310 8.091 1.00 0.00 H new ATOM 0 HB THR A2002 -2.509 -3.938 5.628 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.483 -2.872 7.265 1.00 0.00 H new ATOM 0 HG21 THR A2002 -3.883 -1.906 5.176 1.00 0.00 H new ATOM 0 HG22 THR A2002 -4.857 -3.394 5.117 1.00 0.00 H new ATOM 0 HG23 THR A2002 -4.938 -2.334 6.544 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.035 -6.492 5.616 1.00 0.00 N ATOM 1039 CA TYR A2003 -4.858 -7.371 4.781 1.00 0.00 C ATOM 1040 C TYR A2003 -4.835 -8.836 5.219 1.00 0.00 C ATOM 1041 O TYR A2003 -5.308 -9.722 4.512 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.478 -7.175 3.306 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.440 -5.723 2.875 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.639 -5.003 2.737 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.201 -5.073 2.703 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.604 -3.629 2.442 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.155 -3.703 2.401 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.360 -2.976 2.286 1.00 0.00 C ATOM 1049 OH TYR A2003 -4.308 -1.641 2.045 1.00 0.00 O ATOM 0 H TYR A2003 -3.031 -6.628 5.497 1.00 0.00 H new ATOM 0 HA TYR A2003 -5.900 -7.080 4.913 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.500 -7.623 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.192 -7.712 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.587 -5.505 2.858 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.282 -5.632 2.804 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -6.524 -3.074 2.335 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.205 -3.209 2.258 1.00 0.00 H new ATOM 0 HH TYR A2003 -3.373 -1.359 1.966 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.279 -9.096 6.400 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.128 -10.398 7.034 1.00 0.00 C ATOM 1061 C ASN A2004 -3.481 -11.421 6.105 1.00 0.00 C ATOM 1062 O ASN A2004 -4.071 -12.458 5.784 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.509 -10.836 7.519 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.436 -12.058 8.420 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.372 -12.427 8.916 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -6.555 -12.710 8.679 1.00 0.00 N ATOM 0 H ASN A2004 -3.896 -8.348 6.978 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.447 -10.325 7.882 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -5.980 -10.015 8.059 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.142 -11.057 6.659 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -6.540 -13.524 9.293 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -7.434 -12.399 8.265 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.248 -11.120 5.696 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.411 -11.879 4.772 1.00 0.00 C ATOM 1075 C LEU A2005 -0.052 -12.239 5.376 1.00 0.00 C ATOM 1076 O LEU A2005 0.186 -12.113 6.576 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.168 -11.013 3.515 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.380 -10.252 2.972 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -1.902 -9.369 1.831 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.506 -11.178 2.536 1.00 0.00 C ATOM 0 H LEU A2005 -1.776 -10.278 6.027 1.00 0.00 H new ATOM 0 HA LEU A2005 -1.930 -12.808 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.384 -10.291 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.786 -11.658 2.724 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.807 -9.641 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.746 -8.813 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.152 -8.670 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.465 -9.990 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.340 -10.585 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.148 -11.841 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -3.839 -11.772 3.387 1.00 0.00 H new ATOM 1092 N ASN A2006 0.850 -12.728 4.524 1.00 0.00 N ATOM 1093 CA ASN A2006 2.217 -13.098 4.849 1.00 0.00 C ATOM 1094 C ASN A2006 3.048 -12.672 3.650 1.00 0.00 C ATOM 1095 O ASN A2006 2.882 -13.240 2.569 1.00 0.00 O ATOM 1096 CB ASN A2006 2.364 -14.604 5.087 1.00 0.00 C ATOM 1097 CG ASN A2006 3.827 -14.941 5.327 1.00 0.00 C ATOM 1098 OD1 ASN A2006 4.325 -14.815 6.442 1.00 0.00 O ATOM 1099 ND2 ASN A2006 4.568 -15.321 4.300 1.00 0.00 N ATOM 0 H ASN A2006 0.630 -12.882 3.540 1.00 0.00 H new ATOM 0 HA ASN A2006 2.538 -12.615 5.772 1.00 0.00 H new ATOM 0 HB2 ASN A2006 1.765 -14.907 5.946 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.989 -15.157 4.226 1.00 0.00 H new ATOM 0 HD21 ASN A2006 5.561 -15.512 4.431 1.00 0.00 H new ATOM 0 HD22 ASN A2006 4.146 -15.423 3.377 1.00 0.00 H new ATOM 1106 N LEU A2007 3.933 -11.695 3.826 1.00 0.00 N ATOM 1107 CA LEU A2007 4.818 -11.136 2.806 1.00 0.00 C ATOM 1108 C LEU A2007 6.089 -10.669 3.489 1.00 0.00 C ATOM 1109 O LEU A2007 6.104 -10.456 4.700 1.00 0.00 O ATOM 1110 CB LEU A2007 4.214 -9.889 2.135 1.00 0.00 C ATOM 1111 CG LEU A2007 2.822 -10.043 1.498 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.218 -8.654 1.262 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.912 -10.848 0.197 1.00 0.00 C ATOM 0 H LEU A2007 4.060 -11.247 4.733 1.00 0.00 H new ATOM 0 HA LEU A2007 4.986 -11.910 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A2007 4.159 -9.096 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.905 -9.552 1.362 1.00 0.00 H new ATOM 0 HG LEU A2007 2.169 -10.595 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.231 -8.758 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A2007 2.128 -8.130 2.213 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.864 -8.085 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.918 -10.947 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.567 -10.332 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.315 -11.838 0.409 1.00 0.00 H new ATOM 1125 N LYS A2008 7.149 -10.468 2.707 1.00 0.00 N ATOM 1126 CA LYS A2008 8.431 -10.012 3.215 1.00 0.00 C ATOM 1127 C LYS A2008 8.991 -8.938 2.310 1.00 0.00 C ATOM 1128 O LYS A2008 8.398 -8.644 1.270 1.00 0.00 O ATOM 1129 CB LYS A2008 9.374 -11.200 3.423 1.00 0.00 C ATOM 1130 CG LYS A2008 10.095 -11.783 2.191 1.00 0.00 C ATOM 1131 CD LYS A2008 11.627 -11.801 2.299 1.00 0.00 C ATOM 1132 CE LYS A2008 12.107 -12.417 3.615 1.00 0.00 C ATOM 1133 NZ LYS A2008 12.842 -13.685 3.450 1.00 0.00 N ATOM 0 H LYS A2008 7.137 -10.619 1.698 1.00 0.00 H new ATOM 0 HA LYS A2008 8.306 -9.554 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A2008 10.135 -10.899 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.800 -12.004 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.743 -12.802 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.812 -11.203 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A2008 12.042 -12.365 1.463 1.00 0.00 H new ATOM 0 HD3 LYS A2008 12.007 -10.783 2.216 1.00 0.00 H new ATOM 0 HE2 LYS A2008 12.749 -11.700 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.245 -12.590 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.134 -14.041 4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 12.227 -14.386 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.684 -13.524 2.861 1.00 0.00 H new ATOM 1147 N ALA A2009 10.188 -8.454 2.641 1.00 0.00 N ATOM 1148 CA ALA A2009 10.909 -7.420 1.917 1.00 0.00 C ATOM 1149 C ALA A2009 11.002 -7.699 0.411 1.00 0.00 C ATOM 1150 O ALA A2009 11.103 -6.767 -0.381 1.00 0.00 O ATOM 1151 CB ALA A2009 12.276 -7.202 2.550 1.00 0.00 C ATOM 0 H ALA A2009 10.699 -8.790 3.457 1.00 0.00 H new ATOM 0 HA ALA A2009 10.338 -6.495 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A2009 12.811 -6.426 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.151 -6.893 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.846 -8.130 2.513 1.00 0.00 H new ATOM 1157 N THR A2010 10.902 -8.969 -0.002 1.00 0.00 N ATOM 1158 CA THR A2010 10.927 -9.376 -1.400 1.00 0.00 C ATOM 1159 C THR A2010 9.836 -8.605 -2.160 1.00 0.00 C ATOM 1160 O THR A2010 10.039 -8.261 -3.316 1.00 0.00 O ATOM 1161 CB THR A2010 10.726 -10.911 -1.470 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.125 -11.537 -2.676 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.264 -11.329 -1.263 1.00 0.00 C ATOM 0 H THR A2010 10.800 -9.752 0.644 1.00 0.00 H new ATOM 0 HA THR A2010 11.883 -9.142 -1.869 1.00 0.00 H new ATOM 0 HB THR A2010 11.377 -11.243 -0.662 1.00 0.00 H new ATOM 0 HG1 THR A2010 10.958 -12.501 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.184 -12.414 -1.323 1.00 0.00 H new ATOM 0 HG22 THR A2010 8.925 -10.993 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A2010 8.643 -10.877 -2.036 1.00 0.00 H new ATOM 1171 N LYS A2011 8.692 -8.304 -1.533 1.00 0.00 N ATOM 1172 CA LYS A2011 7.626 -7.561 -2.192 1.00 0.00 C ATOM 1173 C LYS A2011 8.063 -6.159 -2.541 1.00 0.00 C ATOM 1174 O LYS A2011 7.814 -5.706 -3.649 1.00 0.00 O ATOM 1175 CB LYS A2011 6.415 -7.443 -1.280 1.00 0.00 C ATOM 1176 CG LYS A2011 5.601 -8.711 -1.232 1.00 0.00 C ATOM 1177 CD LYS A2011 4.973 -8.988 -2.599 1.00 0.00 C ATOM 1178 CE LYS A2011 5.639 -10.214 -3.207 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.101 -10.698 -4.508 1.00 0.00 N ATOM 0 H LYS A2011 8.487 -8.567 -0.569 1.00 0.00 H new ATOM 0 HA LYS A2011 7.377 -8.110 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.746 -7.190 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.784 -6.623 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.235 -9.548 -0.939 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.820 -8.622 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A2011 3.901 -9.154 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.100 -8.126 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A2011 6.698 -9.994 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A2011 5.570 -11.029 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 5.736 -11.423 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 4.156 -11.108 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 5.034 -9.902 -5.174 1.00 0.00 H new ATOM 1193 N LEU A2012 8.674 -5.468 -1.583 1.00 0.00 N ATOM 1194 CA LEU A2012 9.160 -4.102 -1.778 1.00 0.00 C ATOM 1195 C LEU A2012 10.168 -4.100 -2.921 1.00 0.00 C ATOM 1196 O LEU A2012 10.232 -3.155 -3.707 1.00 0.00 O ATOM 1197 CB LEU A2012 9.778 -3.588 -0.462 1.00 0.00 C ATOM 1198 CG LEU A2012 8.772 -2.842 0.431 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.451 -1.477 -0.195 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.505 -3.681 0.706 1.00 0.00 C ATOM 0 H LEU A2012 8.847 -5.838 -0.648 1.00 0.00 H new ATOM 0 HA LEU A2012 8.343 -3.431 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.189 -4.432 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.610 -2.923 -0.694 1.00 0.00 H new ATOM 0 HG LEU A2012 9.225 -2.674 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.738 -0.946 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.366 -0.892 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.020 -1.623 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A2012 6.824 -3.114 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.012 -3.915 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A2012 7.784 -4.607 1.210 1.00 0.00 H new ATOM 1212 N TYR A2013 10.924 -5.188 -3.031 1.00 0.00 N ATOM 1213 CA TYR A2013 11.939 -5.381 -4.035 1.00 0.00 C ATOM 1214 C TYR A2013 11.381 -5.767 -5.407 1.00 0.00 C ATOM 1215 O TYR A2013 12.051 -5.532 -6.419 1.00 0.00 O ATOM 1216 CB TYR A2013 12.889 -6.460 -3.489 1.00 0.00 C ATOM 1217 CG TYR A2013 14.231 -6.501 -4.167 1.00 0.00 C ATOM 1218 CD1 TYR A2013 15.231 -5.615 -3.745 1.00 0.00 C ATOM 1219 CD2 TYR A2013 14.478 -7.392 -5.228 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.458 -5.578 -4.416 1.00 0.00 C ATOM 1221 CE2 TYR A2013 15.707 -7.356 -5.907 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.695 -6.426 -5.521 1.00 0.00 C ATOM 1223 OH TYR A2013 17.861 -6.349 -6.217 1.00 0.00 O ATOM 0 H TYR A2013 10.836 -5.982 -2.396 1.00 0.00 H new ATOM 0 HA TYR A2013 12.458 -4.439 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A2013 13.038 -6.291 -2.423 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.412 -7.435 -3.593 1.00 0.00 H new ATOM 0 HD1 TYR A2013 15.055 -4.962 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A2013 13.721 -8.105 -5.521 1.00 0.00 H new ATOM 0 HE1 TYR A2013 17.229 -4.897 -4.087 1.00 0.00 H new ATOM 0 HE2 TYR A2013 15.895 -8.039 -6.723 1.00 0.00 H new ATOM 0 HH TYR A2013 17.852 -7.007 -6.943 1.00 0.00 H new ATOM 1233 N ASP A2014 10.182 -6.352 -5.469 1.00 0.00 N ATOM 1234 CA ASP A2014 9.550 -6.780 -6.713 1.00 0.00 C ATOM 1235 C ASP A2014 8.599 -5.726 -7.252 1.00 0.00 C ATOM 1236 O ASP A2014 8.446 -5.599 -8.464 1.00 0.00 O ATOM 1237 CB ASP A2014 8.754 -8.086 -6.479 1.00 0.00 C ATOM 1238 CG ASP A2014 9.088 -9.198 -7.479 1.00 0.00 C ATOM 1239 OD1 ASP A2014 9.837 -8.974 -8.457 1.00 0.00 O ATOM 1240 OD2 ASP A2014 8.776 -10.370 -7.179 1.00 0.00 O ATOM 0 H ASP A2014 9.617 -6.543 -4.642 1.00 0.00 H new ATOM 0 HA ASP A2014 10.345 -6.941 -7.441 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.952 -8.446 -5.469 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.688 -7.866 -6.536 1.00 0.00 H new ATOM 1245 N TYR A2015 7.988 -4.951 -6.358 1.00 0.00 N ATOM 1246 CA TYR A2015 7.021 -3.916 -6.680 1.00 0.00 C ATOM 1247 C TYR A2015 7.399 -2.643 -5.921 1.00 0.00 C ATOM 1248 O TYR A2015 6.862 -2.374 -4.846 1.00 0.00 O ATOM 1249 CB TYR A2015 5.601 -4.393 -6.333 1.00 0.00 C ATOM 1250 CG TYR A2015 5.257 -5.834 -6.622 1.00 0.00 C ATOM 1251 CD1 TYR A2015 5.440 -6.392 -7.899 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.733 -6.614 -5.583 1.00 0.00 C ATOM 1253 CE1 TYR A2015 5.152 -7.755 -8.115 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.344 -7.930 -5.824 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.587 -8.524 -7.074 1.00 0.00 C ATOM 1256 OH TYR A2015 4.322 -9.852 -7.191 1.00 0.00 O ATOM 0 H TYR A2015 8.162 -5.033 -5.356 1.00 0.00 H new ATOM 0 HA TYR A2015 7.033 -3.700 -7.748 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.437 -4.215 -5.270 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.894 -3.764 -6.874 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.800 -5.779 -8.712 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.630 -6.194 -4.593 1.00 0.00 H new ATOM 0 HE1 TYR A2015 5.362 -8.209 -9.072 1.00 0.00 H new ATOM 0 HE2 TYR A2015 3.853 -8.496 -5.046 1.00 0.00 H new ATOM 0 HH TYR A2015 3.465 -10.054 -6.761 1.00 0.00 H new ATOM 1266 N PRO A2016 8.322 -1.833 -6.452 1.00 0.00 N ATOM 1267 CA PRO A2016 8.733 -0.600 -5.799 1.00 0.00 C ATOM 1268 C PRO A2016 7.658 0.500 -5.861 1.00 0.00 C ATOM 1269 O PRO A2016 7.936 1.588 -5.368 1.00 0.00 O ATOM 1270 CB PRO A2016 10.021 -0.198 -6.519 1.00 0.00 C ATOM 1271 CG PRO A2016 9.806 -0.733 -7.933 1.00 0.00 C ATOM 1272 CD PRO A2016 9.046 -2.032 -7.699 1.00 0.00 C ATOM 0 HA PRO A2016 8.888 -0.745 -4.730 1.00 0.00 H new ATOM 0 HB2 PRO A2016 10.166 0.882 -6.514 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.900 -0.640 -6.050 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.234 -0.036 -8.545 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.752 -0.906 -8.447 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.362 -2.242 -8.522 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.728 -2.879 -7.627 1.00 0.00 H new ATOM 1280 N THR A2017 6.478 0.289 -6.461 1.00 0.00 N ATOM 1281 CA THR A2017 5.412 1.285 -6.539 1.00 0.00 C ATOM 1282 C THR A2017 4.101 0.670 -6.052 1.00 0.00 C ATOM 1283 O THR A2017 3.900 -0.546 -6.087 1.00 0.00 O ATOM 1284 CB THR A2017 5.283 1.874 -7.950 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.696 0.973 -8.856 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.617 2.263 -8.575 1.00 0.00 C ATOM 0 H THR A2017 6.238 -0.594 -6.911 1.00 0.00 H new ATOM 0 HA THR A2017 5.665 2.120 -5.886 1.00 0.00 H new ATOM 0 HB THR A2017 4.661 2.756 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A2017 5.389 0.395 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.447 2.671 -9.571 1.00 0.00 H new ATOM 0 HG22 THR A2017 7.105 3.014 -7.953 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.255 1.382 -8.648 1.00 0.00 H new ATOM 1294 N LEU A2018 3.177 1.513 -5.599 1.00 0.00 N ATOM 1295 CA LEU A2018 1.870 1.112 -5.074 1.00 0.00 C ATOM 1296 C LEU A2018 1.035 0.424 -6.126 1.00 0.00 C ATOM 1297 O LEU A2018 0.283 -0.484 -5.775 1.00 0.00 O ATOM 1298 CB LEU A2018 1.078 2.357 -4.649 1.00 0.00 C ATOM 1299 CG LEU A2018 1.837 3.221 -3.649 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.191 4.576 -3.471 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.936 2.522 -2.305 1.00 0.00 C ATOM 0 H LEU A2018 3.318 2.523 -5.586 1.00 0.00 H new ATOM 0 HA LEU A2018 2.059 0.438 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.842 2.952 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A2018 0.130 2.047 -4.210 1.00 0.00 H new ATOM 0 HG LEU A2018 2.838 3.373 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.763 5.160 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.172 5.098 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.172 4.448 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.481 3.155 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.934 2.333 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.463 1.576 -2.425 1.00 0.00 H new ATOM 1313 N LEU A2019 1.140 0.859 -7.381 1.00 0.00 N ATOM 1314 CA LEU A2019 0.378 0.297 -8.486 1.00 0.00 C ATOM 1315 C LEU A2019 0.564 -1.219 -8.557 1.00 0.00 C ATOM 1316 O LEU A2019 -0.410 -1.964 -8.514 1.00 0.00 O ATOM 1317 CB LEU A2019 0.796 1.013 -9.784 1.00 0.00 C ATOM 1318 CG LEU A2019 0.218 2.430 -9.909 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.975 3.199 -10.988 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.275 2.493 -10.210 1.00 0.00 C ATOM 0 H LEU A2019 1.763 1.618 -7.658 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.689 0.460 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.884 1.067 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.472 0.419 -10.639 1.00 0.00 H new ATOM 0 HG LEU A2019 0.346 2.881 -8.925 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.563 4.204 -11.075 1.00 0.00 H new ATOM 0 HD12 LEU A2019 2.029 3.261 -10.719 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.874 2.682 -11.942 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.589 3.535 -10.279 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.477 1.989 -11.155 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -1.828 2.000 -9.411 1.00 0.00 H new ATOM 1332 N GLU A2020 1.806 -1.679 -8.642 1.00 0.00 N ATOM 1333 CA GLU A2020 2.151 -3.098 -8.710 1.00 0.00 C ATOM 1334 C GLU A2020 2.010 -3.782 -7.345 1.00 0.00 C ATOM 1335 O GLU A2020 1.569 -4.933 -7.284 1.00 0.00 O ATOM 1336 CB GLU A2020 3.543 -3.298 -9.342 1.00 0.00 C ATOM 1337 CG GLU A2020 4.504 -2.131 -9.076 1.00 0.00 C ATOM 1338 CD GLU A2020 5.863 -2.189 -9.747 1.00 0.00 C ATOM 1339 OE1 GLU A2020 6.309 -3.274 -10.173 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.452 -1.096 -9.922 1.00 0.00 O ATOM 0 H GLU A2020 2.620 -1.065 -8.666 1.00 0.00 H new ATOM 0 HA GLU A2020 1.434 -3.590 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.982 -4.217 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.430 -3.429 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU A2020 4.012 -1.210 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.661 -2.060 -8.000 1.00 0.00 H new ATOM 1347 N LEU A2021 2.339 -3.081 -6.250 1.00 0.00 N ATOM 1348 CA LEU A2021 2.255 -3.623 -4.894 1.00 0.00 C ATOM 1349 C LEU A2021 0.824 -4.043 -4.583 1.00 0.00 C ATOM 1350 O LEU A2021 0.608 -5.172 -4.140 1.00 0.00 O ATOM 1351 CB LEU A2021 2.748 -2.603 -3.860 1.00 0.00 C ATOM 1352 CG LEU A2021 3.173 -3.270 -2.535 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.667 -3.571 -2.543 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.931 -2.330 -1.364 1.00 0.00 C ATOM 0 H LEU A2021 2.672 -2.118 -6.285 1.00 0.00 H new ATOM 0 HA LEU A2021 2.901 -4.499 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.592 -2.050 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.958 -1.879 -3.662 1.00 0.00 H new ATOM 0 HG LEU A2021 2.588 -4.184 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.948 -4.041 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.898 -4.245 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.225 -2.643 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.236 -2.817 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.512 -1.418 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.871 -2.081 -1.311 1.00 0.00 H new ATOM 1366 N SER A2022 -0.131 -3.128 -4.780 1.00 0.00 N ATOM 1367 CA SER A2022 -1.544 -3.366 -4.530 1.00 0.00 C ATOM 1368 C SER A2022 -2.086 -4.446 -5.463 1.00 0.00 C ATOM 1369 O SER A2022 -2.912 -5.249 -5.028 1.00 0.00 O ATOM 1370 CB SER A2022 -2.354 -2.066 -4.646 1.00 0.00 C ATOM 1371 OG SER A2022 -2.192 -1.397 -5.877 1.00 0.00 O ATOM 0 H SER A2022 0.066 -2.188 -5.123 1.00 0.00 H new ATOM 0 HA SER A2022 -1.650 -3.727 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A2022 -3.410 -2.294 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.062 -1.395 -3.838 1.00 0.00 H new ATOM 0 HG SER A2022 -1.380 -0.849 -5.847 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.574 -4.500 -6.698 1.00 0.00 N ATOM 1378 CA GLY A2023 -1.956 -5.455 -7.727 1.00 0.00 C ATOM 1379 C GLY A2023 -1.802 -6.871 -7.205 1.00 0.00 C ATOM 1380 O GLY A2023 -2.693 -7.700 -7.384 1.00 0.00 O ATOM 0 H GLY A2023 -0.854 -3.850 -7.014 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -2.988 -5.281 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.335 -5.316 -8.612 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.687 -7.134 -6.523 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.424 -8.442 -5.960 1.00 0.00 C ATOM 1386 C TYR A2024 -1.315 -8.672 -4.744 1.00 0.00 C ATOM 1387 O TYR A2024 -2.051 -9.650 -4.727 1.00 0.00 O ATOM 1388 CB TYR A2024 1.063 -8.588 -5.620 1.00 0.00 C ATOM 1389 CG TYR A2024 1.462 -9.987 -5.184 1.00 0.00 C ATOM 1390 CD1 TYR A2024 1.294 -11.055 -6.075 1.00 0.00 C ATOM 1391 CD2 TYR A2024 1.979 -10.241 -3.902 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.616 -12.366 -5.693 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.288 -11.558 -3.498 1.00 0.00 C ATOM 1394 CZ TYR A2024 2.083 -12.634 -4.390 1.00 0.00 C ATOM 1395 OH TYR A2024 2.290 -13.925 -4.003 1.00 0.00 O ATOM 0 H TYR A2024 0.048 -6.448 -6.351 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.663 -9.209 -6.696 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.654 -8.308 -6.492 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.314 -7.885 -4.826 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.912 -10.867 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.142 -9.420 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A2024 1.506 -13.174 -6.401 1.00 0.00 H new ATOM 0 HE2 TYR A2024 2.680 -11.742 -2.509 1.00 0.00 H new ATOM 0 HH TYR A2024 2.613 -13.941 -3.078 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.318 -7.762 -3.759 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.111 -7.883 -2.526 1.00 0.00 C ATOM 1407 C ILE A2025 -3.570 -8.210 -2.830 1.00 0.00 C ATOM 1408 O ILE A2025 -4.110 -9.134 -2.219 1.00 0.00 O ATOM 1409 CB ILE A2025 -2.006 -6.581 -1.690 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.554 -6.345 -1.223 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.927 -6.580 -0.454 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.361 -5.060 -0.411 1.00 0.00 C ATOM 0 H ILE A2025 -0.761 -6.908 -3.797 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.703 -8.709 -1.944 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.329 -5.778 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.235 -7.195 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.097 -6.312 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.807 -5.642 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -3.964 -6.684 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.662 -7.413 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.685 -4.967 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.647 -4.200 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -0.984 -5.097 0.483 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.198 -7.480 -3.755 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.590 -7.686 -4.116 1.00 0.00 C ATOM 1426 C ALA A2026 -5.843 -9.126 -4.585 1.00 0.00 C ATOM 1427 O ALA A2026 -6.948 -9.634 -4.405 1.00 0.00 O ATOM 1428 CB ALA A2026 -5.994 -6.640 -5.164 1.00 0.00 C ATOM 0 H ALA A2026 -3.746 -6.727 -4.274 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.220 -7.550 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.038 -6.787 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.866 -5.640 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.365 -6.749 -6.048 1.00 0.00 H new ATOM 1434 N GLN A2027 -4.866 -9.780 -5.220 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.001 -11.165 -5.676 1.00 0.00 C ATOM 1436 C GLN A2027 -4.852 -12.144 -4.502 1.00 0.00 C ATOM 1437 O GLN A2027 -5.436 -13.230 -4.533 1.00 0.00 O ATOM 1438 CB GLN A2027 -3.977 -11.500 -6.777 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.277 -10.738 -8.076 1.00 0.00 C ATOM 1440 CD GLN A2027 -3.362 -11.113 -9.242 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -2.823 -12.212 -9.343 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -3.152 -10.215 -10.184 1.00 0.00 N ATOM 0 H GLN A2027 -3.959 -9.363 -5.432 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.000 -11.271 -6.098 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -2.974 -11.250 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -3.989 -12.572 -6.972 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -5.311 -10.925 -8.364 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -4.187 -9.668 -7.887 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -3.590 -9.296 -10.119 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -2.551 -10.439 -10.977 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.092 -11.792 -3.463 1.00 0.00 N ATOM 1452 CA ILE A2028 -3.878 -12.658 -2.303 1.00 0.00 C ATOM 1453 C ILE A2028 -5.131 -12.688 -1.441 1.00 0.00 C ATOM 1454 O ILE A2028 -5.683 -13.764 -1.229 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.696 -12.166 -1.439 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.447 -11.855 -2.265 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.314 -13.180 -0.358 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.393 -11.140 -1.428 1.00 0.00 C ATOM 0 H ILE A2028 -3.607 -10.897 -3.403 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.649 -13.656 -2.677 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.052 -11.247 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.032 -12.781 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.718 -11.235 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.479 -12.793 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.167 -13.351 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.024 -14.120 -0.827 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.482 -10.933 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.802 -10.202 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.104 -11.773 -0.589 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.628 -11.527 -0.996 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.824 -11.492 -0.152 1.00 0.00 C ATOM 1472 C LEU A2029 -8.028 -12.044 -0.913 1.00 0.00 C ATOM 1473 O LEU A2029 -8.888 -12.682 -0.307 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.074 -10.114 0.484 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.149 -8.910 -0.465 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.530 -8.718 -1.095 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.773 -7.640 0.299 1.00 0.00 C ATOM 0 H LEU A2029 -5.226 -10.613 -1.204 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.651 -12.150 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -8.009 -10.164 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.280 -9.926 1.207 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.450 -9.107 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.512 -7.850 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.794 -9.605 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.270 -8.562 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.825 -6.783 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.466 -7.495 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.759 -7.736 0.687 1.00 0.00 H new ATOM 1489 N SER A2030 -8.048 -11.885 -2.244 1.00 0.00 N ATOM 1490 CA SER A2030 -9.153 -12.402 -3.056 1.00 0.00 C ATOM 1491 C SER A2030 -9.132 -13.936 -3.064 1.00 0.00 C ATOM 1492 O SER A2030 -10.139 -14.554 -3.397 1.00 0.00 O ATOM 1493 CB SER A2030 -9.094 -11.816 -4.474 1.00 0.00 C ATOM 1494 OG SER A2030 -10.204 -12.153 -5.292 1.00 0.00 O ATOM 0 H SER A2030 -7.319 -11.408 -2.774 1.00 0.00 H new ATOM 0 HA SER A2030 -10.100 -12.090 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A2030 -9.026 -10.730 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A2030 -8.181 -12.162 -4.960 1.00 0.00 H new ATOM 0 HG SER A2030 -10.095 -11.744 -6.176 1.00 0.00 H new ATOM 1500 N SER A2031 -8.001 -14.556 -2.718 1.00 0.00 N ATOM 1501 CA SER A2031 -7.838 -16.011 -2.668 1.00 0.00 C ATOM 1502 C SER A2031 -8.026 -16.536 -1.238 1.00 0.00 C ATOM 1503 O SER A2031 -8.171 -17.740 -1.021 1.00 0.00 O ATOM 1504 CB SER A2031 -6.466 -16.368 -3.241 1.00 0.00 C ATOM 1505 OG SER A2031 -6.296 -17.761 -3.430 1.00 0.00 O ATOM 0 H SER A2031 -7.155 -14.049 -2.459 1.00 0.00 H new ATOM 0 HA SER A2031 -8.605 -16.494 -3.273 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.332 -15.857 -4.195 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.690 -16.000 -2.570 1.00 0.00 H new ATOM 0 HG SER A2031 -5.405 -17.935 -3.799 1.00 0.00 H new