USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=20 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+ 171:sc= 2.44 (180deg=2.06) USER MOD Set 1.2: A2015 TYR OH : rot -141:sc= 0.447 USER MOD Set 2.1: A1964 GLN : amide:sc= 0.685 X(o=1.5,f=1.5) USER MOD Set 2.2: A2002 THR OG1 : rot 176:sc= 0.772 USER MOD Single : A1955 SER OG : rot 180:sc= 0 USER MOD Single : A1958 LYS NZ :NH3+ 151:sc= 0.604 (180deg=-0.637!) USER MOD Single : A1959 GLN : amide:sc= -0.385 K(o=-0.39,f=-1.1) USER MOD Single : A1962 LYS NZ :NH3+ 180:sc= 0.373 (180deg=0.373) USER MOD Single : A1963 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 172:sc= 1.35 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.4) 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 130:sc= 0 USER MOD Single : A1997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0 USER MOD Single : A2000 ASN : amide:sc= 0.219 K(o=0.22,f=-6.4!) USER MOD Single : A2001 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.012) USER MOD Single : A2003 TYR OH : rot -73:sc= 0 USER MOD Single : A2004 ASN : amide:sc= -0.038 X(o=-0.038,f=-0.041) USER MOD Single : A2006 ASN : amide:sc= 0 X(o=0,f=-0.19) 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 -84:sc= 0.267 USER MOD Single : A2022 SER OG : rot -84:sc= 1.25 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.67) USER MOD Single : A2030 SER OG : rot -97:sc= 0.538 USER MOD Single : A2031 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -8.248 -0.127 -5.501 1.00 0.00 N ATOM 286 CA SER A1955 -7.998 1.289 -5.249 1.00 0.00 C ATOM 287 C SER A1955 -7.916 1.561 -3.750 1.00 0.00 C ATOM 288 O SER A1955 -7.038 2.303 -3.321 1.00 0.00 O ATOM 289 CB SER A1955 -9.091 2.131 -5.913 1.00 0.00 C ATOM 290 OG SER A1955 -8.625 3.397 -6.351 1.00 0.00 O ATOM 0 HA SER A1955 -7.038 1.568 -5.683 1.00 0.00 H new ATOM 0 HB2 SER A1955 -9.496 1.584 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A1955 -9.910 2.275 -5.208 1.00 0.00 H new ATOM 0 HG SER A1955 -9.362 3.891 -6.768 1.00 0.00 H new ATOM 296 N GLU A1956 -8.809 0.948 -2.967 1.00 0.00 N ATOM 297 CA GLU A1956 -8.847 1.106 -1.521 1.00 0.00 C ATOM 298 C GLU A1956 -7.517 0.652 -0.927 1.00 0.00 C ATOM 299 O GLU A1956 -7.034 1.248 0.030 1.00 0.00 O ATOM 300 CB GLU A1956 -10.024 0.325 -0.928 1.00 0.00 C ATOM 301 CG GLU A1956 -11.375 0.756 -1.506 1.00 0.00 C ATOM 302 CD GLU A1956 -11.815 2.131 -0.984 1.00 0.00 C ATOM 303 OE1 GLU A1956 -11.411 3.170 -1.546 1.00 0.00 O ATOM 304 OE2 GLU A1956 -12.606 2.229 -0.026 1.00 0.00 O ATOM 0 H GLU A1956 -9.530 0.324 -3.328 1.00 0.00 H new ATOM 0 HA GLU A1956 -8.996 2.157 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.878 -0.739 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -10.037 0.462 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.311 0.785 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -12.131 0.013 -1.252 1.00 0.00 H new ATOM 311 N ILE A1957 -6.890 -0.380 -1.491 1.00 0.00 N ATOM 312 CA ILE A1957 -5.607 -0.848 -1.003 1.00 0.00 C ATOM 313 C ILE A1957 -4.562 0.166 -1.435 1.00 0.00 C ATOM 314 O ILE A1957 -3.811 0.653 -0.606 1.00 0.00 O ATOM 315 CB ILE A1957 -5.288 -2.230 -1.585 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.336 -3.232 -1.076 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.863 -2.712 -1.238 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.492 -4.341 -2.108 1.00 0.00 C ATOM 0 H ILE A1957 -7.256 -0.904 -2.286 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.619 -0.944 0.083 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.326 -2.157 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -6.026 -3.649 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.290 -2.731 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.695 -3.696 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.133 -2.007 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.753 -2.774 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.233 -5.060 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.819 -3.913 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.536 -4.845 -2.248 1.00 0.00 H new ATOM 330 N LYS A1958 -4.512 0.486 -2.730 1.00 0.00 N ATOM 331 CA LYS A1958 -3.553 1.405 -3.327 1.00 0.00 C ATOM 332 C LYS A1958 -3.431 2.714 -2.540 1.00 0.00 C ATOM 333 O LYS A1958 -2.317 3.135 -2.218 1.00 0.00 O ATOM 334 CB LYS A1958 -3.956 1.640 -4.794 1.00 0.00 C ATOM 335 CG LYS A1958 -2.944 2.473 -5.602 1.00 0.00 C ATOM 336 CD LYS A1958 -3.485 2.981 -6.954 1.00 0.00 C ATOM 337 CE LYS A1958 -4.861 3.667 -6.823 1.00 0.00 C ATOM 338 NZ LYS A1958 -5.049 4.829 -7.717 1.00 0.00 N ATOM 0 H LYS A1958 -5.163 0.096 -3.412 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.558 0.960 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -4.086 0.674 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -4.923 2.142 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.633 3.329 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -2.054 1.870 -5.782 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.772 3.684 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -3.565 2.143 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.641 2.934 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.995 3.992 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -6.058 4.929 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -4.716 5.691 -7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -4.505 4.686 -8.592 1.00 0.00 H new ATOM 352 N GLN A1959 -4.555 3.350 -2.220 1.00 0.00 N ATOM 353 CA GLN A1959 -4.550 4.600 -1.470 1.00 0.00 C ATOM 354 C GLN A1959 -4.113 4.371 -0.025 1.00 0.00 C ATOM 355 O GLN A1959 -3.354 5.186 0.492 1.00 0.00 O ATOM 356 CB GLN A1959 -5.918 5.288 -1.580 1.00 0.00 C ATOM 357 CG GLN A1959 -6.995 4.503 -0.837 1.00 0.00 C ATOM 358 CD GLN A1959 -8.405 4.708 -1.350 1.00 0.00 C ATOM 359 OE1 GLN A1959 -8.679 4.826 -2.540 1.00 0.00 O ATOM 360 NE2 GLN A1959 -9.340 4.631 -0.435 1.00 0.00 N ATOM 0 H GLN A1959 -5.486 3.016 -2.471 1.00 0.00 H new ATOM 0 HA GLN A1959 -3.814 5.276 -1.906 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -5.854 6.297 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.195 5.385 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -6.754 3.441 -0.894 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -6.964 4.780 0.217 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -9.085 4.533 0.548 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -10.323 4.669 -0.706 1.00 0.00 H new ATOM 369 N VAL A1960 -4.548 3.278 0.620 1.00 0.00 N ATOM 370 CA VAL A1960 -4.164 3.008 1.997 1.00 0.00 C ATOM 371 C VAL A1960 -2.656 2.806 2.011 1.00 0.00 C ATOM 372 O VAL A1960 -1.973 3.397 2.834 1.00 0.00 O ATOM 373 CB VAL A1960 -4.899 1.784 2.568 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.257 1.284 3.876 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.368 2.122 2.831 1.00 0.00 C ATOM 0 H VAL A1960 -5.162 2.576 0.206 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.445 3.846 2.635 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.824 0.991 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.808 0.419 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.221 1.002 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.287 2.078 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.876 1.246 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.430 2.941 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.846 2.420 1.898 1.00 0.00 H new ATOM 385 N LEU A1961 -2.118 2.001 1.086 1.00 0.00 N ATOM 386 CA LEU A1961 -0.699 1.722 0.970 1.00 0.00 C ATOM 387 C LEU A1961 0.044 3.044 0.989 1.00 0.00 C ATOM 388 O LEU A1961 1.012 3.170 1.726 1.00 0.00 O ATOM 389 CB LEU A1961 -0.329 1.019 -0.341 1.00 0.00 C ATOM 390 CG LEU A1961 -0.691 -0.449 -0.524 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.183 -0.874 -1.903 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.119 -1.321 0.595 1.00 0.00 C ATOM 0 H LEU A1961 -2.680 1.518 0.385 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.431 1.065 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.794 1.576 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.750 1.109 -0.469 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.771 -0.582 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.424 -1.923 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.660 -0.264 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.897 -0.738 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.400 -2.360 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.968 -1.236 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.516 -0.989 1.554 1.00 0.00 H new ATOM 404 N LYS A1962 -0.414 4.019 0.197 1.00 0.00 N ATOM 405 CA LYS A1962 0.201 5.325 0.120 1.00 0.00 C ATOM 406 C LYS A1962 0.331 5.919 1.515 1.00 0.00 C ATOM 407 O LYS A1962 1.418 6.360 1.873 1.00 0.00 O ATOM 408 CB LYS A1962 -0.604 6.229 -0.819 1.00 0.00 C ATOM 409 CG LYS A1962 0.319 7.331 -1.331 1.00 0.00 C ATOM 410 CD LYS A1962 -0.397 8.342 -2.218 1.00 0.00 C ATOM 411 CE LYS A1962 -0.737 7.874 -3.622 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.163 7.526 -3.780 1.00 0.00 N ATOM 0 H LYS A1962 -1.228 3.912 -0.408 1.00 0.00 H new ATOM 0 HA LYS A1962 1.205 5.236 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -1.004 5.651 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.455 6.661 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.762 7.851 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.138 6.880 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.321 8.640 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.226 9.233 -2.295 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.478 8.658 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.126 7.005 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.338 7.214 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.408 6.759 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.749 8.360 -3.573 1.00 0.00 H new ATOM 426 N GLN A1963 -0.748 5.908 2.294 1.00 0.00 N ATOM 427 CA GLN A1963 -0.769 6.442 3.642 1.00 0.00 C ATOM 428 C GLN A1963 0.196 5.691 4.569 1.00 0.00 C ATOM 429 O GLN A1963 0.924 6.308 5.341 1.00 0.00 O ATOM 430 CB GLN A1963 -2.227 6.448 4.194 1.00 0.00 C ATOM 431 CG GLN A1963 -2.524 5.448 5.335 1.00 0.00 C ATOM 432 CD GLN A1963 -3.908 5.555 5.952 1.00 0.00 C ATOM 433 OE1 GLN A1963 -4.850 4.850 5.596 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.039 6.384 6.965 1.00 0.00 N ATOM 0 H GLN A1963 -1.643 5.520 1.996 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.417 7.473 3.607 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.456 7.453 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -2.908 6.239 3.369 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.393 4.436 4.952 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -1.782 5.589 6.121 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -3.252 6.965 7.253 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -4.928 6.446 7.462 1.00 0.00 H new ATOM 443 N GLN A1964 0.192 4.356 4.502 1.00 0.00 N ATOM 444 CA GLN A1964 0.999 3.498 5.363 1.00 0.00 C ATOM 445 C GLN A1964 2.477 3.735 5.114 1.00 0.00 C ATOM 446 O GLN A1964 3.301 3.637 6.017 1.00 0.00 O ATOM 447 CB GLN A1964 0.642 2.005 5.166 1.00 0.00 C ATOM 448 CG GLN A1964 -0.850 1.669 5.311 1.00 0.00 C ATOM 449 CD GLN A1964 -1.135 0.240 5.796 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.637 -0.002 6.887 1.00 0.00 O ATOM 451 NE2 GLN A1964 -0.878 -0.768 4.977 1.00 0.00 N ATOM 0 H GLN A1964 -0.382 3.837 3.837 1.00 0.00 H new ATOM 0 HA GLN A1964 0.776 3.757 6.398 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.974 1.695 4.175 1.00 0.00 H new ATOM 0 HB3 GLN A1964 1.204 1.414 5.889 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.302 2.373 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.338 1.817 4.348 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -0.460 -0.589 4.064 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -1.098 -1.723 5.259 1.00 0.00 H new ATOM 460 N LEU A1965 2.813 3.976 3.853 1.00 0.00 N ATOM 461 CA LEU A1965 4.175 4.222 3.427 1.00 0.00 C ATOM 462 C LEU A1965 4.571 5.677 3.712 1.00 0.00 C ATOM 463 O LEU A1965 5.709 5.916 4.100 1.00 0.00 O ATOM 464 CB LEU A1965 4.318 3.768 1.957 1.00 0.00 C ATOM 465 CG LEU A1965 4.731 4.861 0.979 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.247 5.039 1.028 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.312 4.515 -0.436 1.00 0.00 C ATOM 0 H LEU A1965 2.135 4.005 3.092 1.00 0.00 H new ATOM 0 HA LEU A1965 4.892 3.633 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A1965 5.053 2.965 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.367 3.349 1.629 1.00 0.00 H new ATOM 0 HG LEU A1965 4.234 5.787 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.544 5.821 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.548 5.321 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.732 4.103 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.620 5.313 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.786 3.581 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.229 4.402 -0.477 1.00 0.00 H new ATOM 479 N ALA A1966 3.653 6.643 3.585 1.00 0.00 N ATOM 480 CA ALA A1966 3.947 8.043 3.824 1.00 0.00 C ATOM 481 C ALA A1966 4.538 8.243 5.207 1.00 0.00 C ATOM 482 O ALA A1966 5.607 8.833 5.355 1.00 0.00 O ATOM 483 CB ALA A1966 2.674 8.874 3.656 1.00 0.00 C ATOM 0 H ALA A1966 2.686 6.465 3.313 1.00 0.00 H new ATOM 0 HA ALA A1966 4.686 8.375 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.899 9.925 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.292 8.754 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.922 8.536 4.369 1.00 0.00 H new ATOM 489 N GLU A1967 3.869 7.694 6.216 1.00 0.00 N ATOM 490 CA GLU A1967 4.321 7.831 7.590 1.00 0.00 C ATOM 491 C GLU A1967 5.638 7.091 7.819 1.00 0.00 C ATOM 492 O GLU A1967 6.423 7.477 8.690 1.00 0.00 O ATOM 493 CB GLU A1967 3.213 7.452 8.575 1.00 0.00 C ATOM 494 CG GLU A1967 1.894 8.115 8.154 1.00 0.00 C ATOM 495 CD GLU A1967 0.973 8.542 9.294 1.00 0.00 C ATOM 496 OE1 GLU A1967 1.425 9.303 10.181 1.00 0.00 O ATOM 497 OE2 GLU A1967 -0.245 8.244 9.221 1.00 0.00 O ATOM 0 H GLU A1967 3.013 7.151 6.105 1.00 0.00 H new ATOM 0 HA GLU A1967 4.541 8.881 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A1967 3.094 6.369 8.603 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.485 7.769 9.582 1.00 0.00 H new ATOM 0 HG2 GLU A1967 2.126 8.993 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.350 7.423 7.512 1.00 0.00 H new ATOM 504 N ALA A1968 5.877 6.027 7.047 1.00 0.00 N ATOM 505 CA ALA A1968 7.092 5.233 7.114 1.00 0.00 C ATOM 506 C ALA A1968 8.289 6.023 6.571 1.00 0.00 C ATOM 507 O ALA A1968 9.399 5.861 7.086 1.00 0.00 O ATOM 508 CB ALA A1968 6.904 3.912 6.372 1.00 0.00 C ATOM 0 H ALA A1968 5.215 5.693 6.347 1.00 0.00 H new ATOM 0 HA ALA A1968 7.303 5.002 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.822 3.328 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A1968 6.088 3.352 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.668 4.112 5.327 1.00 0.00 H new ATOM 514 N LEU A1969 8.063 6.871 5.558 1.00 0.00 N ATOM 515 CA LEU A1969 9.084 7.706 4.928 1.00 0.00 C ATOM 516 C LEU A1969 9.106 9.132 5.496 1.00 0.00 C ATOM 517 O LEU A1969 9.805 9.989 4.955 1.00 0.00 O ATOM 518 CB LEU A1969 8.918 7.766 3.396 1.00 0.00 C ATOM 519 CG LEU A1969 9.106 6.443 2.643 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.289 6.728 1.150 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.316 5.639 3.116 1.00 0.00 C ATOM 0 H LEU A1969 7.138 6.995 5.146 1.00 0.00 H new ATOM 0 HA LEU A1969 10.036 7.229 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.922 8.148 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.632 8.489 3.002 1.00 0.00 H new ATOM 0 HG LEU A1969 8.212 5.851 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.423 5.788 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.407 7.242 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A1969 10.167 7.357 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.387 4.716 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.222 6.227 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.203 5.399 4.173 1.00 0.00 H new ATOM 533 N TYR A1970 8.358 9.398 6.570 1.00 0.00 N ATOM 534 CA TYR A1970 8.270 10.703 7.220 1.00 0.00 C ATOM 535 C TYR A1970 7.762 11.794 6.261 1.00 0.00 C ATOM 536 O TYR A1970 8.288 12.908 6.208 1.00 0.00 O ATOM 537 CB TYR A1970 9.597 11.067 7.901 1.00 0.00 C ATOM 538 CG TYR A1970 10.200 9.956 8.743 1.00 0.00 C ATOM 539 CD1 TYR A1970 9.694 9.672 10.027 1.00 0.00 C ATOM 540 CD2 TYR A1970 11.270 9.197 8.232 1.00 0.00 C ATOM 541 CE1 TYR A1970 10.269 8.652 10.805 1.00 0.00 C ATOM 542 CE2 TYR A1970 11.835 8.165 8.999 1.00 0.00 C ATOM 543 CZ TYR A1970 11.336 7.886 10.287 1.00 0.00 C ATOM 544 OH TYR A1970 11.889 6.887 11.025 1.00 0.00 O ATOM 0 H TYR A1970 7.781 8.689 7.022 1.00 0.00 H new ATOM 0 HA TYR A1970 7.520 10.637 8.008 1.00 0.00 H new ATOM 0 HB2 TYR A1970 10.316 11.356 7.135 1.00 0.00 H new ATOM 0 HB3 TYR A1970 9.438 11.940 8.534 1.00 0.00 H new ATOM 0 HD1 TYR A1970 8.861 10.240 10.415 1.00 0.00 H new ATOM 0 HD2 TYR A1970 11.658 9.409 7.247 1.00 0.00 H new ATOM 0 HE1 TYR A1970 9.895 8.454 11.799 1.00 0.00 H new ATOM 0 HE2 TYR A1970 12.654 7.584 8.601 1.00 0.00 H new ATOM 0 HH TYR A1970 12.610 6.464 10.514 1.00 0.00 H new ATOM 554 N THR A1971 6.706 11.485 5.509 1.00 0.00 N ATOM 555 CA THR A1971 6.100 12.410 4.553 1.00 0.00 C ATOM 556 C THR A1971 4.572 12.260 4.580 1.00 0.00 C ATOM 557 O THR A1971 4.023 11.646 5.502 1.00 0.00 O ATOM 558 CB THR A1971 6.756 12.222 3.168 1.00 0.00 C ATOM 559 OG1 THR A1971 6.447 13.350 2.380 1.00 0.00 O ATOM 560 CG2 THR A1971 6.312 10.931 2.469 1.00 0.00 C ATOM 0 H THR A1971 6.243 10.577 5.547 1.00 0.00 H new ATOM 0 HA THR A1971 6.289 13.448 4.828 1.00 0.00 H new ATOM 0 HB THR A1971 7.834 12.130 3.304 1.00 0.00 H new ATOM 0 HG1 THR A1971 6.959 13.316 1.545 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.806 10.853 1.500 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.583 10.073 3.084 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.232 10.948 2.325 1.00 0.00 H new ATOM 568 N GLU A1972 3.871 12.869 3.629 1.00 0.00 N ATOM 569 CA GLU A1972 2.425 12.832 3.483 1.00 0.00 C ATOM 570 C GLU A1972 2.085 12.069 2.212 1.00 0.00 C ATOM 571 O GLU A1972 2.790 12.183 1.214 1.00 0.00 O ATOM 572 CB GLU A1972 1.848 14.260 3.488 1.00 0.00 C ATOM 573 CG GLU A1972 2.315 15.147 2.318 1.00 0.00 C ATOM 574 CD GLU A1972 1.726 16.561 2.362 1.00 0.00 C ATOM 575 OE1 GLU A1972 1.449 17.105 3.448 1.00 0.00 O ATOM 576 OE2 GLU A1972 1.517 17.170 1.287 1.00 0.00 O ATOM 0 H GLU A1972 4.321 13.429 2.905 1.00 0.00 H new ATOM 0 HA GLU A1972 1.969 12.313 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.760 14.198 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A1972 2.122 14.745 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.403 15.213 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A1972 2.036 14.673 1.377 1.00 0.00 H new ATOM 583 N GLU A1973 1.008 11.286 2.201 1.00 0.00 N ATOM 584 CA GLU A1973 0.624 10.549 0.990 1.00 0.00 C ATOM 585 C GLU A1973 0.264 11.520 -0.129 1.00 0.00 C ATOM 586 O GLU A1973 0.273 11.171 -1.302 1.00 0.00 O ATOM 587 CB GLU A1973 -0.507 9.555 1.243 1.00 0.00 C ATOM 588 CG GLU A1973 -1.660 10.001 2.138 1.00 0.00 C ATOM 589 CD GLU A1973 -2.999 9.605 1.499 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.396 10.267 0.505 1.00 0.00 O ATOM 591 OE2 GLU A1973 -3.599 8.590 1.908 1.00 0.00 O ATOM 0 H GLU A1973 0.392 11.144 3.001 1.00 0.00 H new ATOM 0 HA GLU A1973 1.488 9.960 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -0.924 9.269 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.072 8.657 1.681 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -1.567 9.542 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.622 11.080 2.285 1.00 0.00 H new ATOM 598 N SER A1974 -0.043 12.760 0.222 1.00 0.00 N ATOM 599 CA SER A1974 -0.394 13.778 -0.736 1.00 0.00 C ATOM 600 C SER A1974 0.713 13.959 -1.787 1.00 0.00 C ATOM 601 O SER A1974 0.394 14.223 -2.949 1.00 0.00 O ATOM 602 CB SER A1974 -0.664 15.063 0.043 1.00 0.00 C ATOM 603 OG SER A1974 -1.457 15.988 -0.660 1.00 0.00 O ATOM 0 H SER A1974 -0.053 13.083 1.190 1.00 0.00 H new ATOM 0 HA SER A1974 -1.286 13.491 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A1974 -1.158 14.813 0.982 1.00 0.00 H new ATOM 0 HB3 SER A1974 0.287 15.531 0.298 1.00 0.00 H new ATOM 0 HG SER A1974 -1.595 16.786 -0.109 1.00 0.00 H new ATOM 609 N GLU A1975 1.992 13.796 -1.426 1.00 0.00 N ATOM 610 CA GLU A1975 3.088 13.973 -2.384 1.00 0.00 C ATOM 611 C GLU A1975 3.535 12.683 -3.074 1.00 0.00 C ATOM 612 O GLU A1975 4.273 12.751 -4.055 1.00 0.00 O ATOM 613 CB GLU A1975 4.282 14.647 -1.673 1.00 0.00 C ATOM 614 CG GLU A1975 4.966 13.780 -0.594 1.00 0.00 C ATOM 615 CD GLU A1975 6.365 13.254 -0.943 1.00 0.00 C ATOM 616 OE1 GLU A1975 6.556 12.693 -2.044 1.00 0.00 O ATOM 617 OE2 GLU A1975 7.290 13.364 -0.105 1.00 0.00 O ATOM 0 H GLU A1975 2.291 13.544 -0.484 1.00 0.00 H new ATOM 0 HA GLU A1975 2.705 14.609 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A1975 5.024 14.923 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A1975 3.937 15.572 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A1975 5.037 14.365 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A1975 4.322 12.927 -0.379 1.00 0.00 H new ATOM 624 N ILE A1976 3.075 11.520 -2.617 1.00 0.00 N ATOM 625 CA ILE A1976 3.498 10.242 -3.164 1.00 0.00 C ATOM 626 C ILE A1976 2.769 9.909 -4.452 1.00 0.00 C ATOM 627 O ILE A1976 1.535 9.912 -4.508 1.00 0.00 O ATOM 628 CB ILE A1976 3.342 9.155 -2.089 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.177 9.546 -0.860 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.715 7.747 -2.588 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.957 8.604 0.305 1.00 0.00 C ATOM 0 H ILE A1976 2.399 11.442 -1.857 1.00 0.00 H new ATOM 0 HA ILE A1976 4.552 10.299 -3.438 1.00 0.00 H new ATOM 0 HB ILE A1976 2.286 9.099 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.234 9.550 -1.127 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.921 10.561 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.582 7.028 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A1976 3.072 7.475 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.755 7.740 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.568 8.921 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.906 8.619 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.239 7.592 0.013 1.00 0.00 H new ATOM 643 N ALA A1977 3.543 9.622 -5.489 1.00 0.00 N ATOM 644 CA ALA A1977 3.048 9.252 -6.799 1.00 0.00 C ATOM 645 C ALA A1977 2.765 7.749 -6.779 1.00 0.00 C ATOM 646 O ALA A1977 3.377 6.985 -6.029 1.00 0.00 O ATOM 647 CB ALA A1977 4.058 9.670 -7.860 1.00 0.00 C ATOM 0 H ALA A1977 4.561 9.642 -5.436 1.00 0.00 H new ATOM 0 HA ALA A1977 2.119 9.765 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.686 9.392 -8.846 1.00 0.00 H new ATOM 0 HB2 ALA A1977 4.204 10.749 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A1977 5.008 9.168 -7.676 1.00 0.00 H new ATOM 653 N GLU A1978 1.864 7.297 -7.645 1.00 0.00 N ATOM 654 CA GLU A1978 1.450 5.894 -7.714 1.00 0.00 C ATOM 655 C GLU A1978 2.347 5.005 -8.557 1.00 0.00 C ATOM 656 O GLU A1978 2.350 3.792 -8.361 1.00 0.00 O ATOM 657 CB GLU A1978 -0.012 5.839 -8.186 1.00 0.00 C ATOM 658 CG GLU A1978 -0.888 6.657 -7.232 1.00 0.00 C ATOM 659 CD GLU A1978 -2.376 6.565 -7.515 1.00 0.00 C ATOM 660 OE1 GLU A1978 -2.826 6.466 -8.676 1.00 0.00 O ATOM 661 OE2 GLU A1978 -3.147 6.546 -6.533 1.00 0.00 O ATOM 0 H GLU A1978 1.395 7.896 -8.325 1.00 0.00 H new ATOM 0 HA GLU A1978 1.546 5.479 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A1978 -0.093 6.233 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.357 4.805 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.703 6.323 -6.211 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.584 7.702 -7.285 1.00 0.00 H new ATOM 668 N ASP A1979 3.125 5.614 -9.445 1.00 0.00 N ATOM 669 CA ASP A1979 4.053 4.951 -10.358 1.00 0.00 C ATOM 670 C ASP A1979 5.511 5.293 -10.035 1.00 0.00 C ATOM 671 O ASP A1979 6.408 4.989 -10.825 1.00 0.00 O ATOM 672 CB ASP A1979 3.686 5.340 -11.802 1.00 0.00 C ATOM 673 CG ASP A1979 4.225 4.342 -12.824 1.00 0.00 C ATOM 674 OD1 ASP A1979 4.101 3.123 -12.598 1.00 0.00 O ATOM 675 OD2 ASP A1979 4.732 4.771 -13.888 1.00 0.00 O ATOM 0 H ASP A1979 3.127 6.628 -9.554 1.00 0.00 H new ATOM 0 HA ASP A1979 3.962 3.871 -10.240 1.00 0.00 H new ATOM 0 HB2 ASP A1979 2.602 5.403 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A1979 4.082 6.331 -12.021 1.00 0.00 H new ATOM 680 N GLN A1980 5.744 6.003 -8.923 1.00 0.00 N ATOM 681 CA GLN A1980 7.082 6.410 -8.482 1.00 0.00 C ATOM 682 C GLN A1980 7.566 5.393 -7.469 1.00 0.00 C ATOM 683 O GLN A1980 6.792 4.903 -6.643 1.00 0.00 O ATOM 684 CB GLN A1980 7.107 7.832 -7.916 1.00 0.00 C ATOM 685 CG GLN A1980 8.526 8.329 -7.601 1.00 0.00 C ATOM 686 CD GLN A1980 8.617 9.852 -7.484 1.00 0.00 C ATOM 687 OE1 GLN A1980 7.631 10.578 -7.609 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.797 10.376 -7.223 1.00 0.00 N ATOM 0 H GLN A1980 5.000 6.314 -8.299 1.00 0.00 H new ATOM 0 HA GLN A1980 7.753 6.433 -9.341 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.641 8.510 -8.631 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.506 7.866 -7.007 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.863 7.878 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A1980 9.205 7.990 -8.383 1.00 0.00 H new ATOM 0 HE21 GLN A1980 10.612 9.771 -7.120 1.00 0.00 H new ATOM 0 HE22 GLN A1980 9.896 11.386 -7.124 1.00 0.00 H new ATOM 697 N LYS A1981 8.852 5.079 -7.542 1.00 0.00 N ATOM 698 CA LYS A1981 9.466 4.087 -6.685 1.00 0.00 C ATOM 699 C LYS A1981 9.621 4.559 -5.256 1.00 0.00 C ATOM 700 O LYS A1981 10.124 5.656 -5.029 1.00 0.00 O ATOM 701 CB LYS A1981 10.796 3.637 -7.288 1.00 0.00 C ATOM 702 CG LYS A1981 10.530 3.221 -8.738 1.00 0.00 C ATOM 703 CD LYS A1981 11.473 2.142 -9.243 1.00 0.00 C ATOM 704 CE LYS A1981 10.763 1.518 -10.443 1.00 0.00 C ATOM 705 NZ LYS A1981 11.600 0.518 -11.121 1.00 0.00 N ATOM 0 H LYS A1981 9.498 5.510 -8.203 1.00 0.00 H new ATOM 0 HA LYS A1981 8.796 3.229 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.527 4.445 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.211 2.804 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.504 2.864 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.616 4.097 -9.380 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.436 2.564 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.669 1.398 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A1981 9.836 1.050 -10.112 1.00 0.00 H new ATOM 0 HE3 LYS A1981 10.490 2.301 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 11.080 0.120 -11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.474 0.969 -11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 11.840 -0.244 -10.455 1.00 0.00 H new ATOM 719 N PHE A1982 9.268 3.712 -4.289 1.00 0.00 N ATOM 720 CA PHE A1982 9.400 4.063 -2.877 1.00 0.00 C ATOM 721 C PHE A1982 10.877 4.331 -2.574 1.00 0.00 C ATOM 722 O PHE A1982 11.198 5.263 -1.844 1.00 0.00 O ATOM 723 CB PHE A1982 8.832 2.984 -1.957 1.00 0.00 C ATOM 724 CG PHE A1982 7.490 2.421 -2.349 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.419 3.266 -2.659 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.309 1.034 -2.370 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.197 2.703 -3.062 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.081 0.473 -2.759 1.00 0.00 C ATOM 729 CZ PHE A1982 5.030 1.306 -3.128 1.00 0.00 C ATOM 0 H PHE A1982 8.889 2.780 -4.458 1.00 0.00 H new ATOM 0 HA PHE A1982 8.815 4.962 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.548 2.163 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.751 3.397 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.530 4.338 -2.589 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.124 0.386 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.374 3.351 -3.325 1.00 0.00 H new ATOM 0 HE2 PHE A1982 5.954 -0.599 -2.771 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.093 0.885 -3.462 1.00 0.00 H new ATOM 739 N VAL A1983 11.788 3.534 -3.146 1.00 0.00 N ATOM 740 CA VAL A1983 13.229 3.685 -2.954 1.00 0.00 C ATOM 741 C VAL A1983 13.702 5.080 -3.387 1.00 0.00 C ATOM 742 O VAL A1983 14.600 5.639 -2.761 1.00 0.00 O ATOM 743 CB VAL A1983 14.007 2.570 -3.687 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.854 1.199 -3.011 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.590 2.403 -5.156 1.00 0.00 C ATOM 0 H VAL A1983 11.539 2.759 -3.761 1.00 0.00 H new ATOM 0 HA VAL A1983 13.438 3.585 -1.889 1.00 0.00 H new ATOM 0 HB VAL A1983 15.044 2.901 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.421 0.453 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.231 1.253 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.801 0.917 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.175 1.604 -5.612 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.531 2.152 -5.207 1.00 0.00 H new ATOM 0 HG23 VAL A1983 13.768 3.335 -5.693 1.00 0.00 H new ATOM 755 N ASP A1984 13.079 5.675 -4.409 1.00 0.00 N ATOM 756 CA ASP A1984 13.440 6.999 -4.919 1.00 0.00 C ATOM 757 C ASP A1984 13.024 8.063 -3.899 1.00 0.00 C ATOM 758 O ASP A1984 13.659 9.114 -3.784 1.00 0.00 O ATOM 759 CB ASP A1984 12.805 7.254 -6.304 1.00 0.00 C ATOM 760 CG ASP A1984 13.363 6.373 -7.425 1.00 0.00 C ATOM 761 OD1 ASP A1984 14.270 5.540 -7.190 1.00 0.00 O ATOM 762 OD2 ASP A1984 12.845 6.465 -8.559 1.00 0.00 O ATOM 0 H ASP A1984 12.301 5.245 -4.910 1.00 0.00 H new ATOM 0 HA ASP A1984 14.520 7.051 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A1984 11.729 7.093 -6.233 1.00 0.00 H new ATOM 0 HB3 ASP A1984 12.954 8.300 -6.572 1.00 0.00 H new ATOM 767 N LEU A1985 11.958 7.787 -3.137 1.00 0.00 N ATOM 768 CA LEU A1985 11.442 8.677 -2.104 1.00 0.00 C ATOM 769 C LEU A1985 12.284 8.546 -0.832 1.00 0.00 C ATOM 770 O LEU A1985 12.471 9.537 -0.125 1.00 0.00 O ATOM 771 CB LEU A1985 9.960 8.401 -1.798 1.00 0.00 C ATOM 772 CG LEU A1985 8.988 8.457 -2.991 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.538 8.541 -2.497 1.00 0.00 C ATOM 774 CD2 LEU A1985 9.267 9.627 -3.932 1.00 0.00 C ATOM 0 H LEU A1985 11.425 6.922 -3.227 1.00 0.00 H new ATOM 0 HA LEU A1985 11.511 9.698 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.884 7.413 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.626 9.122 -1.052 1.00 0.00 H new ATOM 0 HG LEU A1985 9.142 7.537 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.864 8.580 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.308 7.663 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.411 9.440 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.550 9.613 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A1985 9.174 10.565 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.277 9.540 -4.332 1.00 0.00 H new ATOM 786 N GLY A1986 12.843 7.361 -0.561 1.00 0.00 N ATOM 787 CA GLY A1986 13.681 7.100 0.612 1.00 0.00 C ATOM 788 C GLY A1986 13.460 5.727 1.248 1.00 0.00 C ATOM 789 O GLY A1986 13.859 5.514 2.388 1.00 0.00 O ATOM 0 H GLY A1986 12.723 6.545 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.728 7.190 0.323 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.489 7.869 1.360 1.00 0.00 H new ATOM 793 N LEU A1987 12.779 4.802 0.567 1.00 0.00 N ATOM 794 CA LEU A1987 12.509 3.466 1.083 1.00 0.00 C ATOM 795 C LEU A1987 13.797 2.677 1.106 1.00 0.00 C ATOM 796 O LEU A1987 14.277 2.172 0.095 1.00 0.00 O ATOM 797 CB LEU A1987 11.430 2.805 0.232 1.00 0.00 C ATOM 798 CG LEU A1987 10.668 1.594 0.777 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.564 0.410 1.104 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.813 1.997 1.980 1.00 0.00 C ATOM 0 H LEU A1987 12.398 4.965 -0.365 1.00 0.00 H new ATOM 0 HA LEU A1987 12.133 3.511 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.693 3.570 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.896 2.501 -0.706 1.00 0.00 H new ATOM 0 HG LEU A1987 10.013 1.252 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.957 -0.411 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A1987 12.085 0.088 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.293 0.703 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.278 1.124 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.455 2.394 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A1987 9.096 2.760 1.677 1.00 0.00 H new ATOM 812 N ASP A1988 14.314 2.538 2.306 1.00 0.00 N ATOM 813 CA ASP A1988 15.541 1.824 2.561 1.00 0.00 C ATOM 814 C ASP A1988 15.195 0.377 2.876 1.00 0.00 C ATOM 815 O ASP A1988 14.074 0.056 3.269 1.00 0.00 O ATOM 816 CB ASP A1988 16.239 2.369 3.804 1.00 0.00 C ATOM 817 CG ASP A1988 16.633 3.838 3.770 1.00 0.00 C ATOM 818 OD1 ASP A1988 17.308 4.261 2.805 1.00 0.00 O ATOM 819 OD2 ASP A1988 16.455 4.523 4.797 1.00 0.00 O ATOM 0 H ASP A1988 13.884 2.926 3.146 1.00 0.00 H new ATOM 0 HA ASP A1988 16.184 1.927 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.584 2.211 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A1988 17.138 1.778 3.977 1.00 0.00 H new ATOM 824 N SER A1989 16.197 -0.495 2.821 1.00 0.00 N ATOM 825 CA SER A1989 16.053 -1.918 3.103 1.00 0.00 C ATOM 826 C SER A1989 15.440 -2.162 4.491 1.00 0.00 C ATOM 827 O SER A1989 14.788 -3.185 4.699 1.00 0.00 O ATOM 828 CB SER A1989 17.453 -2.531 3.009 1.00 0.00 C ATOM 829 OG SER A1989 17.482 -3.874 2.559 1.00 0.00 O ATOM 0 H SER A1989 17.150 -0.227 2.574 1.00 0.00 H new ATOM 0 HA SER A1989 15.374 -2.379 2.386 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.056 -1.923 2.335 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.924 -2.481 3.991 1.00 0.00 H new ATOM 0 HG SER A1989 18.410 -4.188 2.526 1.00 0.00 H new ATOM 835 N ILE A1990 15.673 -1.248 5.435 1.00 0.00 N ATOM 836 CA ILE A1990 15.176 -1.303 6.794 1.00 0.00 C ATOM 837 C ILE A1990 13.662 -1.097 6.744 1.00 0.00 C ATOM 838 O ILE A1990 12.898 -1.991 7.101 1.00 0.00 O ATOM 839 CB ILE A1990 15.882 -0.244 7.677 1.00 0.00 C ATOM 840 CG1 ILE A1990 17.420 -0.382 7.630 1.00 0.00 C ATOM 841 CG2 ILE A1990 15.433 -0.392 9.140 1.00 0.00 C ATOM 842 CD1 ILE A1990 18.102 0.417 6.508 1.00 0.00 C ATOM 0 H ILE A1990 16.238 -0.418 5.257 1.00 0.00 H new ATOM 0 HA ILE A1990 15.392 -2.270 7.247 1.00 0.00 H new ATOM 0 HB ILE A1990 15.604 0.733 7.282 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.830 -0.060 8.587 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.673 -1.436 7.513 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.935 0.357 9.752 1.00 0.00 H new ATOM 0 HG22 ILE A1990 14.354 -0.251 9.206 1.00 0.00 H new ATOM 0 HG23 ILE A1990 15.691 -1.388 9.501 1.00 0.00 H new ATOM 0 HD11 ILE A1990 19.180 0.260 6.553 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.726 0.081 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.885 1.478 6.633 1.00 0.00 H new ATOM 854 N VAL A1991 13.244 0.073 6.251 1.00 0.00 N ATOM 855 CA VAL A1991 11.855 0.489 6.125 1.00 0.00 C ATOM 856 C VAL A1991 11.049 -0.528 5.323 1.00 0.00 C ATOM 857 O VAL A1991 9.895 -0.808 5.641 1.00 0.00 O ATOM 858 CB VAL A1991 11.758 1.886 5.482 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.362 2.473 5.735 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.800 2.869 6.026 1.00 0.00 C ATOM 0 H VAL A1991 13.897 0.782 5.916 1.00 0.00 H new ATOM 0 HA VAL A1991 11.430 0.543 7.127 1.00 0.00 H new ATOM 0 HB VAL A1991 11.947 1.753 4.417 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.295 3.461 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.608 1.819 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A1991 10.191 2.556 6.808 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.681 3.835 5.535 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.661 2.989 7.100 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.801 2.484 5.830 1.00 0.00 H new ATOM 870 N GLY A1992 11.657 -1.127 4.300 1.00 0.00 N ATOM 871 CA GLY A1992 10.976 -2.097 3.473 1.00 0.00 C ATOM 872 C GLY A1992 10.585 -3.357 4.231 1.00 0.00 C ATOM 873 O GLY A1992 9.619 -3.998 3.834 1.00 0.00 O ATOM 0 H GLY A1992 12.625 -0.950 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A1992 10.080 -1.641 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.620 -2.368 2.636 1.00 0.00 H new ATOM 877 N VAL A1993 11.310 -3.737 5.285 1.00 0.00 N ATOM 878 CA VAL A1993 11.001 -4.920 6.080 1.00 0.00 C ATOM 879 C VAL A1993 9.824 -4.592 6.997 1.00 0.00 C ATOM 880 O VAL A1993 8.800 -5.269 6.949 1.00 0.00 O ATOM 881 CB VAL A1993 12.259 -5.349 6.876 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.971 -6.404 7.951 1.00 0.00 C ATOM 883 CG2 VAL A1993 13.337 -5.925 5.950 1.00 0.00 C ATOM 0 H VAL A1993 12.132 -3.228 5.610 1.00 0.00 H new ATOM 0 HA VAL A1993 10.717 -5.758 5.443 1.00 0.00 H new ATOM 0 HB VAL A1993 12.604 -4.435 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.896 -6.658 8.469 1.00 0.00 H new ATOM 0 HG12 VAL A1993 11.251 -6.007 8.667 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.561 -7.298 7.482 1.00 0.00 H new ATOM 0 HG21 VAL A1993 14.206 -6.216 6.540 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.942 -6.798 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.630 -5.171 5.220 1.00 0.00 H new ATOM 893 N GLU A1994 9.942 -3.546 7.811 1.00 0.00 N ATOM 894 CA GLU A1994 8.897 -3.139 8.750 1.00 0.00 C ATOM 895 C GLU A1994 7.596 -2.788 8.027 1.00 0.00 C ATOM 896 O GLU A1994 6.516 -3.188 8.463 1.00 0.00 O ATOM 897 CB GLU A1994 9.392 -1.993 9.644 1.00 0.00 C ATOM 898 CG GLU A1994 9.917 -0.800 8.836 1.00 0.00 C ATOM 899 CD GLU A1994 10.628 0.222 9.709 1.00 0.00 C ATOM 900 OE1 GLU A1994 11.796 -0.016 10.066 1.00 0.00 O ATOM 901 OE2 GLU A1994 10.018 1.252 10.083 1.00 0.00 O ATOM 0 H GLU A1994 10.771 -2.952 7.839 1.00 0.00 H new ATOM 0 HA GLU A1994 8.671 -3.987 9.397 1.00 0.00 H new ATOM 0 HB2 GLU A1994 8.577 -1.661 10.287 1.00 0.00 H new ATOM 0 HB3 GLU A1994 10.183 -2.362 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.603 -1.158 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A1994 9.085 -0.319 8.321 1.00 0.00 H new ATOM 908 N TRP A1995 7.660 -2.081 6.898 1.00 0.00 N ATOM 909 CA TRP A1995 6.456 -1.724 6.167 1.00 0.00 C ATOM 910 C TRP A1995 5.781 -2.967 5.609 1.00 0.00 C ATOM 911 O TRP A1995 4.550 -3.032 5.546 1.00 0.00 O ATOM 912 CB TRP A1995 6.786 -0.760 5.040 1.00 0.00 C ATOM 913 CG TRP A1995 5.568 -0.145 4.425 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.612 0.550 5.081 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.151 -0.163 3.029 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.623 0.911 4.192 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.909 0.518 2.905 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.728 -0.657 1.849 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.282 0.707 1.662 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.141 -0.426 0.593 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.931 0.281 0.496 1.00 0.00 C ATOM 0 H TRP A1995 8.528 -1.749 6.477 1.00 0.00 H new ATOM 0 HA TRP A1995 5.769 -1.235 6.858 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.432 0.030 5.422 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.349 -1.288 4.270 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.622 0.785 6.135 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.775 1.412 4.458 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.643 -1.227 1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.311 1.175 1.606 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.622 -0.794 -0.301 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.503 0.495 -0.472 1.00 0.00 H new ATOM 932 N THR A1996 6.576 -3.972 5.220 1.00 0.00 N ATOM 933 CA THR A1996 6.011 -5.199 4.690 1.00 0.00 C ATOM 934 C THR A1996 5.077 -5.820 5.738 1.00 0.00 C ATOM 935 O THR A1996 4.065 -6.427 5.375 1.00 0.00 O ATOM 936 CB THR A1996 7.130 -6.153 4.218 1.00 0.00 C ATOM 937 OG1 THR A1996 6.905 -6.610 2.897 1.00 0.00 O ATOM 938 CG2 THR A1996 7.384 -7.377 5.097 1.00 0.00 C ATOM 0 H THR A1996 7.595 -3.953 5.265 1.00 0.00 H new ATOM 0 HA THR A1996 5.409 -4.989 3.806 1.00 0.00 H new ATOM 0 HB THR A1996 8.019 -5.526 4.283 1.00 0.00 H new ATOM 0 HG1 THR A1996 7.717 -6.481 2.363 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.190 -7.972 4.668 1.00 0.00 H new ATOM 0 HG22 THR A1996 7.666 -7.053 6.099 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.477 -7.980 5.152 1.00 0.00 H new ATOM 946 N THR A1997 5.401 -5.642 7.021 1.00 0.00 N ATOM 947 CA THR A1997 4.626 -6.177 8.118 1.00 0.00 C ATOM 948 C THR A1997 3.334 -5.396 8.291 1.00 0.00 C ATOM 949 O THR A1997 2.276 -6.017 8.351 1.00 0.00 O ATOM 950 CB THR A1997 5.479 -6.177 9.395 1.00 0.00 C ATOM 951 OG1 THR A1997 6.674 -6.900 9.168 1.00 0.00 O ATOM 952 CG2 THR A1997 4.702 -6.798 10.551 1.00 0.00 C ATOM 0 H THR A1997 6.221 -5.114 7.320 1.00 0.00 H new ATOM 0 HA THR A1997 4.345 -7.207 7.900 1.00 0.00 H new ATOM 0 HB THR A1997 5.726 -5.148 9.657 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.218 -6.897 9.983 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.319 -6.791 11.449 1.00 0.00 H new ATOM 0 HG22 THR A1997 3.794 -6.222 10.730 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.437 -7.825 10.301 1.00 0.00 H new ATOM 960 N THR A1998 3.389 -4.061 8.327 1.00 0.00 N ATOM 961 CA THR A1998 2.170 -3.255 8.481 1.00 0.00 C ATOM 962 C THR A1998 1.175 -3.619 7.368 1.00 0.00 C ATOM 963 O THR A1998 -0.037 -3.620 7.570 1.00 0.00 O ATOM 964 CB THR A1998 2.527 -1.753 8.526 1.00 0.00 C ATOM 965 OG1 THR A1998 2.770 -1.388 9.865 1.00 0.00 O ATOM 966 CG2 THR A1998 1.434 -0.806 8.021 1.00 0.00 C ATOM 0 H THR A1998 4.251 -3.520 8.253 1.00 0.00 H new ATOM 0 HA THR A1998 1.680 -3.477 9.429 1.00 0.00 H new ATOM 0 HB THR A1998 3.388 -1.647 7.866 1.00 0.00 H new ATOM 0 HG1 THR A1998 3.000 -0.436 9.908 1.00 0.00 H new ATOM 0 HG21 THR A1998 1.783 0.224 8.094 1.00 0.00 H new ATOM 0 HG22 THR A1998 1.203 -1.038 6.981 1.00 0.00 H new ATOM 0 HG23 THR A1998 0.537 -0.929 8.628 1.00 0.00 H new ATOM 974 N ILE A1999 1.674 -3.965 6.183 1.00 0.00 N ATOM 975 CA ILE A1999 0.817 -4.347 5.071 1.00 0.00 C ATOM 976 C ILE A1999 0.119 -5.668 5.396 1.00 0.00 C ATOM 977 O ILE A1999 -1.089 -5.791 5.193 1.00 0.00 O ATOM 978 CB ILE A1999 1.664 -4.436 3.783 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.925 -3.014 3.252 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.984 -5.307 2.716 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.809 -2.998 2.005 1.00 0.00 C ATOM 0 H ILE A1999 2.672 -3.988 5.971 1.00 0.00 H new ATOM 0 HA ILE A1999 0.042 -3.597 4.909 1.00 0.00 H new ATOM 0 HB ILE A1999 2.614 -4.915 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.972 -2.537 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.398 -2.421 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.610 -5.346 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.844 -6.316 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A1999 0.015 -4.879 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A1999 2.958 -1.969 1.677 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.774 -3.448 2.237 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.326 -3.566 1.210 1.00 0.00 H new ATOM 993 N ASN A2000 0.889 -6.662 5.840 1.00 0.00 N ATOM 994 CA ASN A2000 0.374 -7.983 6.162 1.00 0.00 C ATOM 995 C ASN A2000 -0.700 -7.894 7.204 1.00 0.00 C ATOM 996 O ASN A2000 -1.741 -8.508 7.059 1.00 0.00 O ATOM 997 CB ASN A2000 1.468 -8.861 6.793 1.00 0.00 C ATOM 998 CG ASN A2000 2.547 -9.255 5.827 1.00 0.00 C ATOM 999 OD1 ASN A2000 2.314 -9.367 4.632 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.754 -9.447 6.323 1.00 0.00 N ATOM 0 H ASN A2000 1.894 -6.567 5.986 1.00 0.00 H new ATOM 0 HA ASN A2000 0.005 -8.403 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.917 -8.324 7.629 1.00 0.00 H new ATOM 0 HB3 ASN A2000 1.010 -9.762 7.202 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.526 -9.697 5.705 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.916 -9.346 7.325 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.421 -7.149 8.257 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.316 -6.981 9.370 1.00 0.00 C ATOM 1009 C GLN A2001 -2.582 -6.244 8.957 1.00 0.00 C ATOM 1010 O GLN A2001 -3.663 -6.595 9.432 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.529 -6.291 10.489 1.00 0.00 C ATOM 1012 CG GLN A2001 0.615 -7.211 10.983 1.00 0.00 C ATOM 1013 CD GLN A2001 0.757 -7.348 12.496 1.00 0.00 C ATOM 1014 OE1 GLN A2001 1.867 -7.415 13.012 1.00 0.00 O ATOM 1015 NE2 GLN A2001 -0.328 -7.420 13.247 1.00 0.00 N ATOM 0 H GLN A2001 0.455 -6.636 8.358 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.673 -7.942 9.740 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.117 -5.349 10.127 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.195 -6.050 11.317 1.00 0.00 H new ATOM 0 HG2 GLN A2001 0.464 -8.204 10.561 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.556 -6.834 10.582 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -1.251 -7.364 12.816 1.00 0.00 H new ATOM 0 HE22 GLN A2001 -0.242 -7.531 14.257 1.00 0.00 H new ATOM 1024 N THR A2002 -2.488 -5.297 8.024 1.00 0.00 N ATOM 1025 CA THR A2002 -3.639 -4.538 7.603 1.00 0.00 C ATOM 1026 C THR A2002 -4.602 -5.330 6.710 1.00 0.00 C ATOM 1027 O THR A2002 -5.818 -5.200 6.879 1.00 0.00 O ATOM 1028 CB THR A2002 -3.161 -3.196 7.023 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.739 -2.380 8.106 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.211 -2.410 6.238 1.00 0.00 C ATOM 0 H THR A2002 -1.620 -5.045 7.551 1.00 0.00 H new ATOM 0 HA THR A2002 -4.263 -4.317 8.469 1.00 0.00 H new ATOM 0 HB THR A2002 -2.369 -3.441 6.315 1.00 0.00 H new ATOM 0 HG1 THR A2002 -2.365 -1.543 7.759 1.00 0.00 H new ATOM 0 HG21 THR A2002 -3.772 -1.481 5.873 1.00 0.00 H new ATOM 0 HG22 THR A2002 -4.555 -3.006 5.393 1.00 0.00 H new ATOM 0 HG23 THR A2002 -5.056 -2.181 6.888 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.099 -6.170 5.793 1.00 0.00 N ATOM 1039 CA TYR A2003 -4.948 -6.943 4.884 1.00 0.00 C ATOM 1040 C TYR A2003 -4.959 -8.439 5.198 1.00 0.00 C ATOM 1041 O TYR A2003 -5.532 -9.212 4.434 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.546 -6.667 3.427 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.262 -5.213 3.086 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.293 -4.258 3.052 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -2.937 -4.811 2.841 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.012 -2.916 2.737 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -2.641 -3.472 2.541 1.00 0.00 C ATOM 1048 CZ TYR A2003 -3.679 -2.521 2.483 1.00 0.00 C ATOM 1049 OH TYR A2003 -3.374 -1.237 2.161 1.00 0.00 O ATOM 0 H TYR A2003 -3.100 -6.330 5.664 1.00 0.00 H new ATOM 0 HA TYR A2003 -5.975 -6.609 5.034 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.658 -7.255 3.197 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.343 -7.025 2.775 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.308 -4.557 3.269 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.140 -5.539 2.884 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -5.811 -2.191 2.690 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -1.620 -3.172 2.355 1.00 0.00 H new ATOM 0 HH TYR A2003 -3.665 -1.052 1.244 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.363 -8.829 6.324 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.227 -10.192 6.837 1.00 0.00 C ATOM 1061 C ASN A2004 -3.548 -11.108 5.828 1.00 0.00 C ATOM 1062 O ASN A2004 -4.163 -12.014 5.289 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.596 -10.726 7.255 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.446 -12.065 7.975 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.804 -12.152 9.020 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -5.989 -13.151 7.457 1.00 0.00 N ATOM 0 H ASN A2004 -3.930 -8.149 6.949 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.582 -10.169 7.715 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -6.090 -10.007 7.909 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.230 -10.847 6.377 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -5.874 -14.051 7.923 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -6.524 -13.090 6.590 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.268 -10.874 5.559 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.486 -11.634 4.589 1.00 0.00 C ATOM 1075 C LEU A2005 -0.148 -12.032 5.189 1.00 0.00 C ATOM 1076 O LEU A2005 0.134 -11.788 6.359 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.194 -10.771 3.341 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.242 -9.732 2.925 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -1.551 -8.704 2.026 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.495 -10.320 2.291 1.00 0.00 C ATOM 0 H LEU A2005 -1.734 -10.136 6.018 1.00 0.00 H new ATOM 0 HA LEU A2005 -2.063 -12.518 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.253 -10.248 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -1.038 -11.444 2.498 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.625 -9.250 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.273 -7.950 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -0.742 -8.225 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.145 -9.204 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.182 -9.515 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.223 -10.873 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -3.979 -10.993 2.999 1.00 0.00 H new ATOM 1092 N ASN A2006 0.702 -12.624 4.360 1.00 0.00 N ATOM 1093 CA ASN A2006 2.044 -13.042 4.715 1.00 0.00 C ATOM 1094 C ASN A2006 2.910 -12.655 3.524 1.00 0.00 C ATOM 1095 O ASN A2006 2.778 -13.224 2.436 1.00 0.00 O ATOM 1096 CB ASN A2006 2.059 -14.540 4.987 1.00 0.00 C ATOM 1097 CG ASN A2006 3.475 -15.083 5.013 1.00 0.00 C ATOM 1098 OD1 ASN A2006 4.385 -14.460 5.553 1.00 0.00 O ATOM 1099 ND2 ASN A2006 3.691 -16.227 4.395 1.00 0.00 N ATOM 0 H ASN A2006 0.464 -12.832 3.390 1.00 0.00 H new ATOM 0 HA ASN A2006 2.416 -12.569 5.624 1.00 0.00 H new ATOM 0 HB2 ASN A2006 1.572 -14.743 5.941 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.483 -15.057 4.219 1.00 0.00 H new ATOM 0 HD21 ASN A2006 4.633 -16.616 4.357 1.00 0.00 H new ATOM 0 HD22 ASN A2006 2.916 -16.723 3.955 1.00 0.00 H new ATOM 1106 N LEU A2007 3.803 -11.694 3.741 1.00 0.00 N ATOM 1107 CA LEU A2007 4.720 -11.124 2.763 1.00 0.00 C ATOM 1108 C LEU A2007 6.000 -10.728 3.466 1.00 0.00 C ATOM 1109 O LEU A2007 6.036 -10.672 4.701 1.00 0.00 O ATOM 1110 CB LEU A2007 4.127 -9.839 2.164 1.00 0.00 C ATOM 1111 CG LEU A2007 2.721 -9.955 1.548 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.117 -8.560 1.397 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.793 -10.680 0.211 1.00 0.00 C ATOM 0 H LEU A2007 3.911 -11.267 4.661 1.00 0.00 H new ATOM 0 HA LEU A2007 4.897 -11.864 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A2007 4.095 -9.081 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.808 -9.475 1.395 1.00 0.00 H new ATOM 0 HG LEU A2007 2.077 -10.539 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.121 -8.640 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A2007 2.047 -8.086 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.751 -7.958 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.793 -10.756 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.437 -10.124 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.201 -11.680 0.361 1.00 0.00 H new ATOM 1125 N LYS A2008 7.063 -10.505 2.696 1.00 0.00 N ATOM 1126 CA LYS A2008 8.361 -10.113 3.211 1.00 0.00 C ATOM 1127 C LYS A2008 8.945 -9.022 2.342 1.00 0.00 C ATOM 1128 O LYS A2008 8.385 -8.722 1.289 1.00 0.00 O ATOM 1129 CB LYS A2008 9.238 -11.346 3.385 1.00 0.00 C ATOM 1130 CG LYS A2008 9.659 -12.089 2.120 1.00 0.00 C ATOM 1131 CD LYS A2008 11.141 -11.984 1.772 1.00 0.00 C ATOM 1132 CE LYS A2008 12.017 -12.561 2.880 1.00 0.00 C ATOM 1133 NZ LYS A2008 13.392 -12.774 2.408 1.00 0.00 N ATOM 0 H LYS A2008 7.040 -10.595 1.680 1.00 0.00 H new ATOM 0 HA LYS A2008 8.279 -9.676 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A2008 10.141 -11.045 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.709 -12.049 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.402 -13.142 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.077 -11.707 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.335 -12.514 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.404 -10.939 1.606 1.00 0.00 H new ATOM 0 HE2 LYS A2008 12.023 -11.883 3.734 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.597 -13.506 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.967 -13.167 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 13.385 -13.439 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.798 -11.867 2.101 1.00 0.00 H new ATOM 1147 N ALA A2009 10.129 -8.539 2.720 1.00 0.00 N ATOM 1148 CA ALA A2009 10.863 -7.480 2.034 1.00 0.00 C ATOM 1149 C ALA A2009 10.999 -7.693 0.526 1.00 0.00 C ATOM 1150 O ALA A2009 11.174 -6.720 -0.200 1.00 0.00 O ATOM 1151 CB ALA A2009 12.235 -7.307 2.681 1.00 0.00 C ATOM 0 H ALA A2009 10.620 -8.889 3.543 1.00 0.00 H new ATOM 0 HA ALA A2009 10.275 -6.569 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A2009 12.782 -6.516 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.111 -7.041 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.793 -8.241 2.607 1.00 0.00 H new ATOM 1157 N THR A2010 10.929 -8.933 0.027 1.00 0.00 N ATOM 1158 CA THR A2010 11.017 -9.183 -1.402 1.00 0.00 C ATOM 1159 C THR A2010 9.882 -8.432 -2.098 1.00 0.00 C ATOM 1160 O THR A2010 10.078 -8.016 -3.232 1.00 0.00 O ATOM 1161 CB THR A2010 10.989 -10.682 -1.730 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.353 -10.853 -3.080 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.613 -11.319 -1.503 1.00 0.00 C ATOM 0 H THR A2010 10.812 -9.771 0.596 1.00 0.00 H new ATOM 0 HA THR A2010 11.976 -8.817 -1.769 1.00 0.00 H new ATOM 0 HB THR A2010 11.689 -11.178 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A2010 11.341 -11.807 -3.304 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.657 -12.379 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A2010 9.327 -11.204 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A2010 8.875 -10.828 -2.138 1.00 0.00 H new ATOM 1171 N LYS A2011 8.717 -8.248 -1.454 1.00 0.00 N ATOM 1172 CA LYS A2011 7.629 -7.508 -2.097 1.00 0.00 C ATOM 1173 C LYS A2011 8.067 -6.112 -2.476 1.00 0.00 C ATOM 1174 O LYS A2011 7.743 -5.648 -3.569 1.00 0.00 O ATOM 1175 CB LYS A2011 6.431 -7.348 -1.167 1.00 0.00 C ATOM 1176 CG LYS A2011 5.533 -8.563 -1.129 1.00 0.00 C ATOM 1177 CD LYS A2011 4.933 -8.828 -2.513 1.00 0.00 C ATOM 1178 CE LYS A2011 5.635 -10.015 -3.159 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.156 -10.404 -4.504 1.00 0.00 N ATOM 0 H LYS A2011 8.511 -8.592 -0.516 1.00 0.00 H new ATOM 0 HA LYS A2011 7.356 -8.087 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.789 -7.138 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.847 -6.484 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.101 -9.433 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.735 -8.410 -0.403 1.00 0.00 H new ATOM 0 HD2 LYS A2011 3.865 -9.029 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.040 -7.944 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A2011 6.699 -9.789 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS A2011 5.533 -10.875 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 5.797 -11.116 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 4.198 -10.803 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 5.135 -9.567 -5.121 1.00 0.00 H new ATOM 1193 N LEU A2012 8.804 -5.462 -1.579 1.00 0.00 N ATOM 1194 CA LEU A2012 9.275 -4.105 -1.828 1.00 0.00 C ATOM 1195 C LEU A2012 10.260 -4.048 -3.004 1.00 0.00 C ATOM 1196 O LEU A2012 10.536 -2.983 -3.549 1.00 0.00 O ATOM 1197 CB LEU A2012 9.902 -3.487 -0.568 1.00 0.00 C ATOM 1198 CG LEU A2012 8.898 -2.793 0.371 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.496 -1.409 -0.167 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.672 -3.673 0.694 1.00 0.00 C ATOM 0 H LEU A2012 9.086 -5.851 -0.679 1.00 0.00 H new ATOM 0 HA LEU A2012 8.400 -3.513 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.418 -4.270 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.657 -2.762 -0.872 1.00 0.00 H new ATOM 0 HG LEU A2012 9.409 -2.639 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.787 -0.944 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.382 -0.780 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.034 -1.520 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.000 -3.131 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.148 -3.919 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.001 -4.591 1.180 1.00 0.00 H new ATOM 1212 N TYR A2013 10.800 -5.190 -3.411 1.00 0.00 N ATOM 1213 CA TYR A2013 11.728 -5.305 -4.518 1.00 0.00 C ATOM 1214 C TYR A2013 11.011 -5.823 -5.766 1.00 0.00 C ATOM 1215 O TYR A2013 11.551 -5.721 -6.867 1.00 0.00 O ATOM 1216 CB TYR A2013 12.860 -6.248 -4.091 1.00 0.00 C ATOM 1217 CG TYR A2013 14.208 -5.937 -4.704 1.00 0.00 C ATOM 1218 CD1 TYR A2013 14.539 -6.422 -5.983 1.00 0.00 C ATOM 1219 CD2 TYR A2013 15.162 -5.220 -3.960 1.00 0.00 C ATOM 1220 CE1 TYR A2013 15.818 -6.188 -6.516 1.00 0.00 C ATOM 1221 CE2 TYR A2013 16.444 -4.988 -4.482 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.775 -5.467 -5.765 1.00 0.00 C ATOM 1223 OH TYR A2013 18.017 -5.240 -6.259 1.00 0.00 O ATOM 0 H TYR A2013 10.596 -6.084 -2.965 1.00 0.00 H new ATOM 0 HA TYR A2013 12.142 -4.329 -4.771 1.00 0.00 H new ATOM 0 HB2 TYR A2013 12.953 -6.213 -3.006 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.583 -7.269 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A2013 13.809 -6.975 -6.556 1.00 0.00 H new ATOM 0 HD2 TYR A2013 14.906 -4.845 -2.980 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.070 -6.559 -7.499 1.00 0.00 H new ATOM 0 HE2 TYR A2013 17.175 -4.444 -3.902 1.00 0.00 H new ATOM 0 HH TYR A2013 18.540 -4.728 -5.607 1.00 0.00 H new ATOM 1233 N ASP A2014 9.802 -6.372 -5.620 1.00 0.00 N ATOM 1234 CA ASP A2014 9.012 -6.919 -6.704 1.00 0.00 C ATOM 1235 C ASP A2014 8.121 -5.853 -7.315 1.00 0.00 C ATOM 1236 O ASP A2014 7.940 -5.838 -8.530 1.00 0.00 O ATOM 1237 CB ASP A2014 8.116 -8.042 -6.145 1.00 0.00 C ATOM 1238 CG ASP A2014 7.803 -9.171 -7.123 1.00 0.00 C ATOM 1239 OD1 ASP A2014 8.452 -9.283 -8.191 1.00 0.00 O ATOM 1240 OD2 ASP A2014 6.983 -10.044 -6.744 1.00 0.00 O ATOM 0 H ASP A2014 9.340 -6.446 -4.713 1.00 0.00 H new ATOM 0 HA ASP A2014 9.686 -7.300 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.600 -8.468 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.177 -7.602 -5.810 1.00 0.00 H new ATOM 1245 N TYR A2015 7.587 -4.943 -6.490 1.00 0.00 N ATOM 1246 CA TYR A2015 6.682 -3.897 -6.934 1.00 0.00 C ATOM 1247 C TYR A2015 7.073 -2.585 -6.247 1.00 0.00 C ATOM 1248 O TYR A2015 6.473 -2.229 -5.233 1.00 0.00 O ATOM 1249 CB TYR A2015 5.247 -4.324 -6.575 1.00 0.00 C ATOM 1250 CG TYR A2015 4.885 -5.777 -6.787 1.00 0.00 C ATOM 1251 CD1 TYR A2015 4.967 -6.375 -8.059 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.473 -6.534 -5.680 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.650 -7.739 -8.215 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.074 -7.857 -5.848 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.173 -8.479 -7.107 1.00 0.00 C ATOM 1256 OH TYR A2015 3.842 -9.795 -7.191 1.00 0.00 O ATOM 0 H TYR A2015 7.778 -4.920 -5.488 1.00 0.00 H new ATOM 0 HA TYR A2015 6.741 -3.743 -8.012 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.075 -4.083 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.557 -3.715 -7.159 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.272 -5.789 -8.914 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.465 -6.090 -4.696 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.770 -8.218 -9.176 1.00 0.00 H new ATOM 0 HE2 TYR A2015 3.685 -8.411 -5.006 1.00 0.00 H new ATOM 0 HH TYR A2015 3.045 -9.967 -6.647 1.00 0.00 H new ATOM 1266 N PRO A2016 8.087 -1.854 -6.728 1.00 0.00 N ATOM 1267 CA PRO A2016 8.539 -0.591 -6.133 1.00 0.00 C ATOM 1268 C PRO A2016 7.493 0.531 -6.116 1.00 0.00 C ATOM 1269 O PRO A2016 7.788 1.584 -5.558 1.00 0.00 O ATOM 1270 CB PRO A2016 9.785 -0.203 -6.929 1.00 0.00 C ATOM 1271 CG PRO A2016 9.590 -0.888 -8.277 1.00 0.00 C ATOM 1272 CD PRO A2016 8.872 -2.178 -7.911 1.00 0.00 C ATOM 0 HA PRO A2016 8.742 -0.735 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A2016 9.868 0.878 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.696 -0.544 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A2016 8.997 -0.276 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.542 -1.083 -8.771 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.234 -2.519 -8.726 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.582 -2.979 -7.706 1.00 0.00 H new ATOM 1280 N THR A2017 6.299 0.353 -6.679 1.00 0.00 N ATOM 1281 CA THR A2017 5.252 1.358 -6.735 1.00 0.00 C ATOM 1282 C THR A2017 3.944 0.765 -6.221 1.00 0.00 C ATOM 1283 O THR A2017 3.741 -0.450 -6.223 1.00 0.00 O ATOM 1284 CB THR A2017 5.124 1.900 -8.166 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.507 0.969 -9.020 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.453 2.230 -8.844 1.00 0.00 C ATOM 0 H THR A2017 6.030 -0.526 -7.122 1.00 0.00 H new ATOM 0 HA THR A2017 5.506 2.200 -6.091 1.00 0.00 H new ATOM 0 HB THR A2017 4.539 2.809 -8.030 1.00 0.00 H new ATOM 0 HG1 THR A2017 5.176 0.332 -9.348 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.265 2.606 -9.850 1.00 0.00 H new ATOM 0 HG22 THR A2017 6.978 2.990 -8.265 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.065 1.330 -8.902 1.00 0.00 H new ATOM 1294 N LEU A2018 3.022 1.621 -5.789 1.00 0.00 N ATOM 1295 CA LEU A2018 1.723 1.209 -5.248 1.00 0.00 C ATOM 1296 C LEU A2018 0.863 0.536 -6.290 1.00 0.00 C ATOM 1297 O LEU A2018 0.068 -0.339 -5.938 1.00 0.00 O ATOM 1298 CB LEU A2018 0.906 2.446 -4.836 1.00 0.00 C ATOM 1299 CG LEU A2018 1.659 3.359 -3.884 1.00 0.00 C ATOM 1300 CD1 LEU A2018 0.992 4.712 -3.788 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.796 2.703 -2.521 1.00 0.00 C ATOM 0 H LEU A2018 3.154 2.632 -5.803 1.00 0.00 H new ATOM 0 HA LEU A2018 1.948 0.539 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.630 3.007 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A2018 -0.022 2.122 -4.364 1.00 0.00 H new ATOM 0 HG LEU A2018 2.662 3.522 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.552 5.346 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A2018 0.970 5.177 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A2018 -0.027 4.590 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.338 3.369 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.806 2.503 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.343 1.766 -2.622 1.00 0.00 H new ATOM 1313 N LEU A2019 0.986 0.973 -7.542 1.00 0.00 N ATOM 1314 CA LEU A2019 0.201 0.444 -8.650 1.00 0.00 C ATOM 1315 C LEU A2019 0.306 -1.074 -8.695 1.00 0.00 C ATOM 1316 O LEU A2019 -0.712 -1.757 -8.735 1.00 0.00 O ATOM 1317 CB LEU A2019 0.634 1.118 -9.962 1.00 0.00 C ATOM 1318 CG LEU A2019 0.040 2.523 -10.115 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.771 3.269 -11.230 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.462 2.555 -10.399 1.00 0.00 C ATOM 0 H LEU A2019 1.638 1.709 -7.815 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.854 0.676 -8.504 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.722 1.180 -9.995 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.324 0.501 -10.805 1.00 0.00 H new ATOM 0 HG LEU A2019 0.178 3.006 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.348 4.268 -11.338 1.00 0.00 H new ATOM 0 HD12 LEU A2019 1.829 3.348 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.658 2.724 -12.167 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.793 3.589 -10.492 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.668 2.024 -11.328 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -1.997 2.075 -9.580 1.00 0.00 H new ATOM 1332 N GLU A2020 1.527 -1.588 -8.756 1.00 0.00 N ATOM 1333 CA GLU A2020 1.850 -3.011 -8.781 1.00 0.00 C ATOM 1334 C GLU A2020 1.699 -3.640 -7.385 1.00 0.00 C ATOM 1335 O GLU A2020 1.114 -4.714 -7.257 1.00 0.00 O ATOM 1336 CB GLU A2020 3.224 -3.252 -9.454 1.00 0.00 C ATOM 1337 CG GLU A2020 4.183 -2.066 -9.277 1.00 0.00 C ATOM 1338 CD GLU A2020 5.546 -2.153 -9.933 1.00 0.00 C ATOM 1339 OE1 GLU A2020 5.786 -3.100 -10.715 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.323 -1.198 -9.697 1.00 0.00 O ATOM 0 H GLU A2020 2.359 -0.998 -8.791 1.00 0.00 H new ATOM 0 HA GLU A2020 1.126 -3.535 -9.406 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.679 -4.149 -9.033 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.076 -3.439 -10.517 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.685 -1.174 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.335 -1.915 -8.208 1.00 0.00 H new ATOM 1347 N LEU A2021 2.148 -2.949 -6.320 1.00 0.00 N ATOM 1348 CA LEU A2021 2.088 -3.457 -4.946 1.00 0.00 C ATOM 1349 C LEU A2021 0.669 -3.835 -4.523 1.00 0.00 C ATOM 1350 O LEU A2021 0.477 -4.902 -3.939 1.00 0.00 O ATOM 1351 CB LEU A2021 2.701 -2.462 -3.952 1.00 0.00 C ATOM 1352 CG LEU A2021 3.163 -3.163 -2.655 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.661 -3.439 -2.717 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.928 -2.281 -1.439 1.00 0.00 C ATOM 0 H LEU A2021 2.563 -2.020 -6.394 1.00 0.00 H new ATOM 0 HA LEU A2021 2.684 -4.370 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.549 -1.959 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.969 -1.692 -3.709 1.00 0.00 H new ATOM 0 HG LEU A2021 2.590 -4.086 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.978 -3.933 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.877 -4.083 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.200 -2.498 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.263 -2.801 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.487 -1.352 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.865 -2.056 -1.352 1.00 0.00 H new ATOM 1366 N SER A2022 -0.306 -2.956 -4.772 1.00 0.00 N ATOM 1367 CA SER A2022 -1.705 -3.187 -4.424 1.00 0.00 C ATOM 1368 C SER A2022 -2.321 -4.307 -5.255 1.00 0.00 C ATOM 1369 O SER A2022 -3.180 -5.026 -4.745 1.00 0.00 O ATOM 1370 CB SER A2022 -2.534 -1.902 -4.579 1.00 0.00 C ATOM 1371 OG SER A2022 -2.395 -1.290 -5.847 1.00 0.00 O ATOM 0 H SER A2022 -0.142 -2.057 -5.225 1.00 0.00 H new ATOM 0 HA SER A2022 -1.723 -3.494 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A2022 -3.585 -2.135 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.237 -1.192 -3.807 1.00 0.00 H new ATOM 0 HG SER A2022 -1.599 -0.718 -5.849 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.883 -4.441 -6.509 1.00 0.00 N ATOM 1378 CA GLY A2023 -2.355 -5.430 -7.459 1.00 0.00 C ATOM 1379 C GLY A2023 -2.218 -6.820 -6.872 1.00 0.00 C ATOM 1380 O GLY A2023 -3.198 -7.562 -6.761 1.00 0.00 O ATOM 0 H GLY A2023 -1.161 -3.835 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.397 -5.234 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.783 -5.359 -8.384 1.00 0.00 H new ATOM 1384 N TYR A2024 -1.005 -7.146 -6.435 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.724 -8.441 -5.847 1.00 0.00 C ATOM 1386 C TYR A2024 -1.569 -8.627 -4.589 1.00 0.00 C ATOM 1387 O TYR A2024 -2.324 -9.587 -4.528 1.00 0.00 O ATOM 1388 CB TYR A2024 0.776 -8.584 -5.580 1.00 0.00 C ATOM 1389 CG TYR A2024 1.199 -9.949 -5.064 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.909 -11.104 -5.811 1.00 0.00 C ATOM 1391 CD2 TYR A2024 1.896 -10.080 -3.848 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.307 -12.370 -5.347 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.292 -11.346 -3.372 1.00 0.00 C ATOM 1394 CZ TYR A2024 1.982 -12.503 -4.119 1.00 0.00 C ATOM 1395 OH TYR A2024 2.324 -13.737 -3.664 1.00 0.00 O ATOM 0 H TYR A2024 -0.199 -6.522 -6.480 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.997 -9.235 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.318 -8.375 -6.503 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.077 -7.827 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.377 -11.018 -6.747 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.131 -9.197 -3.271 1.00 0.00 H new ATOM 0 HE1 TYR A2024 1.093 -13.248 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR A2024 2.830 -11.431 -2.440 1.00 0.00 H new ATOM 0 HH TYR A2024 2.785 -13.652 -2.803 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.525 -7.696 -3.626 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.283 -7.786 -2.373 1.00 0.00 C ATOM 1407 C ILE A2025 -3.758 -8.082 -2.624 1.00 0.00 C ATOM 1408 O ILE A2025 -4.292 -8.987 -1.976 1.00 0.00 O ATOM 1409 CB ILE A2025 -2.127 -6.467 -1.576 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.664 -6.324 -1.118 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -3.143 -6.395 -0.422 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.400 -5.022 -0.369 1.00 0.00 C ATOM 0 H ILE A2025 -0.957 -6.852 -3.697 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.880 -8.615 -1.792 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.354 -5.613 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.406 -7.166 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A2025 -0.010 -6.376 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -3.011 -5.459 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -4.155 -6.442 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.983 -7.233 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.648 -4.979 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.628 -4.176 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -1.031 -4.979 0.519 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.404 -7.326 -3.509 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.810 -7.495 -3.827 1.00 0.00 C ATOM 1426 C ALA A2026 -6.114 -8.932 -4.241 1.00 0.00 C ATOM 1427 O ALA A2026 -7.203 -9.401 -3.927 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.192 -6.478 -4.907 1.00 0.00 C ATOM 0 H ALA A2026 -3.956 -6.571 -4.029 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.418 -7.306 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.247 -6.592 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -6.014 -5.469 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.587 -6.649 -5.798 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.184 -9.615 -4.916 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.338 -10.999 -5.354 1.00 0.00 C ATOM 1436 C GLN A2027 -5.151 -11.981 -4.195 1.00 0.00 C ATOM 1437 O GLN A2027 -5.699 -13.083 -4.237 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.269 -11.367 -6.397 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.291 -10.552 -7.696 1.00 0.00 C ATOM 1440 CD GLN A2027 -4.927 -11.312 -8.856 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -4.724 -12.515 -9.040 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -5.667 -10.615 -9.702 1.00 0.00 N ATOM 0 H GLN A2027 -4.285 -9.209 -5.177 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.344 -11.072 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.287 -11.255 -5.937 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.384 -12.421 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -4.840 -9.625 -7.530 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -3.271 -10.275 -7.964 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -5.828 -9.621 -9.540 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -6.077 -11.071 -10.517 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.349 -11.643 -3.186 1.00 0.00 N ATOM 1452 CA ILE A2028 -4.090 -12.520 -2.044 1.00 0.00 C ATOM 1453 C ILE A2028 -5.302 -12.529 -1.134 1.00 0.00 C ATOM 1454 O ILE A2028 -5.860 -13.594 -0.879 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.878 -12.038 -1.220 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.653 -11.787 -2.096 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.525 -13.028 -0.100 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.516 -11.125 -1.323 1.00 0.00 C ATOM 0 H ILE A2028 -3.859 -10.750 -3.137 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.880 -13.516 -2.433 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.173 -11.091 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.305 -12.733 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.934 -11.154 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.667 -12.655 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.376 -13.136 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.281 -13.997 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.333 -10.967 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.853 -10.166 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.214 -11.769 -0.497 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.744 -11.352 -0.678 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.887 -11.297 0.219 1.00 0.00 C ATOM 1472 C LEU A2029 -8.119 -11.881 -0.468 1.00 0.00 C ATOM 1473 O LEU A2029 -8.943 -12.494 0.202 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.138 -9.898 0.799 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.285 -8.737 -0.193 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.712 -8.574 -0.742 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.866 -7.440 0.485 1.00 0.00 C ATOM 0 H LEU A2029 -5.334 -10.448 -0.912 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.655 -11.915 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -8.044 -9.942 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.316 -9.661 1.475 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.642 -8.969 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.741 -7.735 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -9.008 -9.485 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.400 -8.386 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.969 -6.613 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.501 -7.261 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.827 -7.516 0.806 1.00 0.00 H new ATOM 1489 N SER A2030 -8.242 -11.736 -1.794 1.00 0.00 N ATOM 1490 CA SER A2030 -9.411 -12.267 -2.505 1.00 0.00 C ATOM 1491 C SER A2030 -9.349 -13.789 -2.670 1.00 0.00 C ATOM 1492 O SER A2030 -10.338 -14.411 -3.047 1.00 0.00 O ATOM 1493 CB SER A2030 -9.658 -11.524 -3.827 1.00 0.00 C ATOM 1494 OG SER A2030 -8.621 -11.686 -4.774 1.00 0.00 O ATOM 0 H SER A2030 -7.559 -11.264 -2.387 1.00 0.00 H new ATOM 0 HA SER A2030 -10.284 -12.076 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A2030 -10.593 -11.877 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A2030 -9.784 -10.462 -3.618 1.00 0.00 H new ATOM 0 HG SER A2030 -8.018 -10.914 -4.734 1.00 0.00 H new ATOM 1500 N SER A2031 -8.185 -14.387 -2.418 1.00 0.00 N ATOM 1501 CA SER A2031 -7.964 -15.823 -2.526 1.00 0.00 C ATOM 1502 C SER A2031 -8.240 -16.476 -1.170 1.00 0.00 C ATOM 1503 O SER A2031 -8.718 -17.607 -1.105 1.00 0.00 O ATOM 1504 CB SER A2031 -6.521 -16.027 -3.005 1.00 0.00 C ATOM 1505 OG SER A2031 -6.153 -17.368 -3.259 1.00 0.00 O ATOM 0 H SER A2031 -7.354 -13.873 -2.127 1.00 0.00 H new ATOM 0 HA SER A2031 -8.637 -16.294 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.373 -15.448 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.845 -15.618 -2.254 1.00 0.00 H new ATOM 0 HG SER A2031 -5.221 -17.400 -3.560 1.00 0.00 H new