USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=22 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: A1964 GLN : amide:sc= 1.04 K(o=3.2,f=1.4) USER MOD Set 1.2: A2002 THR OG1 : rot 81:sc= 2.2 USER MOD Single : A1955 SER OG : rot -4:sc= 0.781 USER MOD Single : A1958 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.17) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1962 LYS NZ :NH3+ -178:sc= 0.855 (180deg=0.854) USER MOD Single : A1963 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 130:sc= 0.217 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= 0.22 K(o=0.22,f=-7.1!) USER MOD Single : A1981 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.168) USER MOD Single : A1989 SER OG : rot 180:sc= 0 USER MOD Single : A1996 THR OG1 : rot 180:sc= 0 USER MOD Single : A1997 THR OG1 : rot 79:sc= 0.656 USER MOD Single : A1998 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A2000 ASN : amide:sc= -1.48 K(o=-1.5,f=-6.3!) USER MOD Single : A2001 GLN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A2003 TYR OH : rot 180:sc= -0.0252 USER MOD Single : A2004 ASN : amide:sc= -0.051 X(o=-0.051,f=-0.051) USER MOD Single : A2006 ASN : amide:sc= 0 X(o=0,f=-0.0026) 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 : A2011 LYS NZ :NH3+ 154:sc= -0.125 (180deg=-0.466) USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2015 TYR OH : rot -125:sc= 1.14 USER MOD Single : A2017 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A2022 SER OG : rot -92:sc= 1.23 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A2030 SER OG : rot -11:sc= 0.00634 USER MOD Single : A2031 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -8.010 -0.133 -6.212 1.00 0.00 N ATOM 286 CA SER A1955 -7.916 1.306 -6.050 1.00 0.00 C ATOM 287 C SER A1955 -7.929 1.698 -4.573 1.00 0.00 C ATOM 288 O SER A1955 -7.126 2.529 -4.155 1.00 0.00 O ATOM 289 CB SER A1955 -9.074 1.960 -6.826 1.00 0.00 C ATOM 290 OG SER A1955 -10.078 1.020 -7.204 1.00 0.00 O ATOM 0 HA SER A1955 -6.968 1.662 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A1955 -9.524 2.740 -6.212 1.00 0.00 H new ATOM 0 HB3 SER A1955 -8.680 2.445 -7.719 1.00 0.00 H new ATOM 0 HG SER A1955 -9.795 0.118 -6.947 1.00 0.00 H new ATOM 296 N GLU A1956 -8.823 1.084 -3.798 1.00 0.00 N ATOM 297 CA GLU A1956 -8.993 1.326 -2.372 1.00 0.00 C ATOM 298 C GLU A1956 -7.729 0.921 -1.621 1.00 0.00 C ATOM 299 O GLU A1956 -7.322 1.591 -0.676 1.00 0.00 O ATOM 300 CB GLU A1956 -10.196 0.532 -1.857 1.00 0.00 C ATOM 301 CG GLU A1956 -11.493 1.070 -2.466 1.00 0.00 C ATOM 302 CD GLU A1956 -11.971 2.393 -1.832 1.00 0.00 C ATOM 303 OE1 GLU A1956 -11.448 2.803 -0.771 1.00 0.00 O ATOM 304 OE2 GLU A1956 -12.881 3.025 -2.412 1.00 0.00 O ATOM 0 H GLU A1956 -9.468 0.382 -4.161 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.171 2.388 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -10.079 -0.522 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -10.243 0.596 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.347 1.221 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -12.276 0.320 -2.354 1.00 0.00 H new ATOM 311 N ILE A1957 -7.081 -0.169 -2.031 1.00 0.00 N ATOM 312 CA ILE A1957 -5.856 -0.612 -1.389 1.00 0.00 C ATOM 313 C ILE A1957 -4.760 0.353 -1.800 1.00 0.00 C ATOM 314 O ILE A1957 -4.031 0.867 -0.962 1.00 0.00 O ATOM 315 CB ILE A1957 -5.505 -2.041 -1.828 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.620 -3.010 -1.390 1.00 0.00 C ATOM 317 CG2 ILE A1957 -4.131 -2.495 -1.283 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.640 -4.205 -2.340 1.00 0.00 C ATOM 0 H ILE A1957 -7.388 -0.758 -2.805 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.973 -0.623 -0.305 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.430 -2.051 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -6.448 -3.345 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.585 -2.504 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.924 -3.511 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.354 -1.826 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -4.145 -2.468 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.426 -4.897 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.831 -3.859 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.676 -4.713 -2.305 1.00 0.00 H new ATOM 330 N LYS A1958 -4.635 0.605 -3.101 1.00 0.00 N ATOM 331 CA LYS A1958 -3.629 1.476 -3.675 1.00 0.00 C ATOM 332 C LYS A1958 -3.571 2.824 -2.969 1.00 0.00 C ATOM 333 O LYS A1958 -2.478 3.297 -2.645 1.00 0.00 O ATOM 334 CB LYS A1958 -3.912 1.632 -5.169 1.00 0.00 C ATOM 335 CG LYS A1958 -2.855 2.505 -5.845 1.00 0.00 C ATOM 336 CD LYS A1958 -3.072 2.578 -7.349 1.00 0.00 C ATOM 337 CE LYS A1958 -4.431 3.172 -7.733 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.471 3.548 -9.158 1.00 0.00 N ATOM 0 H LYS A1958 -5.253 0.193 -3.800 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.646 1.025 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -3.933 0.650 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -4.898 2.075 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.886 3.509 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -1.863 2.103 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.280 3.180 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -2.988 1.577 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.218 2.448 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.633 4.049 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.460 3.638 -9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -3.983 4.457 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -3.998 2.815 -9.724 1.00 0.00 H new ATOM 352 N GLN A1959 -4.724 3.456 -2.755 1.00 0.00 N ATOM 353 CA GLN A1959 -4.754 4.743 -2.091 1.00 0.00 C ATOM 354 C GLN A1959 -4.297 4.605 -0.630 1.00 0.00 C ATOM 355 O GLN A1959 -3.493 5.415 -0.179 1.00 0.00 O ATOM 356 CB GLN A1959 -6.131 5.417 -2.231 1.00 0.00 C ATOM 357 CG GLN A1959 -7.286 4.689 -1.538 1.00 0.00 C ATOM 358 CD GLN A1959 -8.662 5.243 -1.894 1.00 0.00 C ATOM 359 OE1 GLN A1959 -9.105 5.171 -3.039 1.00 0.00 O ATOM 360 NE2 GLN A1959 -9.379 5.783 -0.927 1.00 0.00 N ATOM 0 H GLN A1959 -5.638 3.096 -3.031 1.00 0.00 H new ATOM 0 HA GLN A1959 -4.045 5.408 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -6.066 6.428 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.366 5.511 -3.291 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.250 3.633 -1.804 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -7.147 4.751 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -9.001 5.837 0.019 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -10.311 6.146 -1.125 1.00 0.00 H new ATOM 369 N VAL A1960 -4.757 3.577 0.098 1.00 0.00 N ATOM 370 CA VAL A1960 -4.391 3.363 1.494 1.00 0.00 C ATOM 371 C VAL A1960 -2.891 3.152 1.580 1.00 0.00 C ATOM 372 O VAL A1960 -2.236 3.758 2.423 1.00 0.00 O ATOM 373 CB VAL A1960 -5.158 2.165 2.085 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.528 1.685 3.406 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.622 2.544 2.316 1.00 0.00 C ATOM 0 H VAL A1960 -5.395 2.872 -0.272 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.664 4.239 2.082 1.00 0.00 H new ATOM 0 HB VAL A1960 -5.101 1.346 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -5.096 0.839 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.497 1.379 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.545 2.497 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -7.157 1.691 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.676 3.382 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -7.078 2.829 1.368 1.00 0.00 H new ATOM 385 N LEU A1961 -2.328 2.307 0.711 1.00 0.00 N ATOM 386 CA LEU A1961 -0.909 2.039 0.690 1.00 0.00 C ATOM 387 C LEU A1961 -0.154 3.352 0.662 1.00 0.00 C ATOM 388 O LEU A1961 0.789 3.499 1.428 1.00 0.00 O ATOM 389 CB LEU A1961 -0.485 1.265 -0.552 1.00 0.00 C ATOM 390 CG LEU A1961 -0.887 -0.197 -0.633 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.305 -0.749 -1.936 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.418 -0.996 0.579 1.00 0.00 C ATOM 0 H LEU A1961 -2.856 1.794 0.005 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.686 1.449 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.894 1.776 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.601 1.321 -0.630 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.973 -0.286 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.570 -1.801 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.710 -0.191 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.780 -0.648 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.730 -2.035 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.669 -0.949 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.857 -0.576 1.484 1.00 0.00 H new ATOM 404 N LYS A1962 -0.556 4.282 -0.215 1.00 0.00 N ATOM 405 CA LYS A1962 0.076 5.579 -0.341 1.00 0.00 C ATOM 406 C LYS A1962 0.151 6.244 1.027 1.00 0.00 C ATOM 407 O LYS A1962 1.232 6.649 1.443 1.00 0.00 O ATOM 408 CB LYS A1962 -0.692 6.436 -1.362 1.00 0.00 C ATOM 409 CG LYS A1962 0.237 7.500 -1.942 1.00 0.00 C ATOM 410 CD LYS A1962 -0.438 8.459 -2.921 1.00 0.00 C ATOM 411 CE LYS A1962 -0.747 7.867 -4.287 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.120 7.316 -4.381 1.00 0.00 N ATOM 0 H LYS A1962 -1.336 4.143 -0.857 1.00 0.00 H new ATOM 0 HA LYS A1962 1.095 5.466 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -1.082 5.805 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.549 6.909 -0.883 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.665 8.078 -1.123 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.065 7.005 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.368 8.814 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.204 9.330 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.617 8.636 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.028 7.077 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.262 6.896 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.251 6.585 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.811 8.079 -4.234 1.00 0.00 H new ATOM 426 N GLN A1963 -0.975 6.304 1.733 1.00 0.00 N ATOM 427 CA GLN A1963 -1.067 6.917 3.047 1.00 0.00 C ATOM 428 C GLN A1963 -0.186 6.234 4.093 1.00 0.00 C ATOM 429 O GLN A1963 0.380 6.914 4.944 1.00 0.00 O ATOM 430 CB GLN A1963 -2.557 6.986 3.490 1.00 0.00 C ATOM 431 CG GLN A1963 -2.960 6.094 4.687 1.00 0.00 C ATOM 432 CD GLN A1963 -4.398 6.258 5.163 1.00 0.00 C ATOM 433 OE1 GLN A1963 -5.300 6.648 4.421 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.663 5.901 6.410 1.00 0.00 N ATOM 0 H GLN A1963 -1.860 5.921 1.400 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.676 7.931 2.968 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.791 8.021 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -3.180 6.716 2.637 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.802 5.051 4.412 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.291 6.309 5.521 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -3.911 5.579 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.619 5.948 6.762 1.00 0.00 H new ATOM 443 N GLN A1964 -0.094 4.903 4.072 1.00 0.00 N ATOM 444 CA GLN A1964 0.679 4.145 5.047 1.00 0.00 C ATOM 445 C GLN A1964 2.168 4.318 4.788 1.00 0.00 C ATOM 446 O GLN A1964 2.979 4.319 5.709 1.00 0.00 O ATOM 447 CB GLN A1964 0.265 2.663 4.993 1.00 0.00 C ATOM 448 CG GLN A1964 -1.241 2.450 5.238 1.00 0.00 C ATOM 449 CD GLN A1964 -1.538 1.367 6.269 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.145 1.462 7.431 1.00 0.00 O ATOM 451 NE2 GLN A1964 -2.250 0.333 5.869 1.00 0.00 N ATOM 0 H GLN A1964 -0.557 4.322 3.373 1.00 0.00 H new ATOM 0 HA GLN A1964 0.473 4.521 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.531 2.252 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A1964 0.831 2.106 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.684 3.389 5.570 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.721 2.186 4.296 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -2.565 0.275 4.901 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -2.486 -0.409 6.528 1.00 0.00 H new ATOM 460 N LEU A1965 2.534 4.410 3.514 1.00 0.00 N ATOM 461 CA LEU A1965 3.918 4.587 3.112 1.00 0.00 C ATOM 462 C LEU A1965 4.350 6.035 3.366 1.00 0.00 C ATOM 463 O LEU A1965 5.498 6.247 3.732 1.00 0.00 O ATOM 464 CB LEU A1965 4.107 4.097 1.658 1.00 0.00 C ATOM 465 CG LEU A1965 4.637 5.134 0.670 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.167 5.193 0.716 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.235 4.774 -0.748 1.00 0.00 C ATOM 0 H LEU A1965 1.878 4.364 2.734 1.00 0.00 H new ATOM 0 HA LEU A1965 4.585 3.972 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A1965 4.791 3.248 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.149 3.730 1.291 1.00 0.00 H new ATOM 0 HG LEU A1965 4.212 6.097 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.524 5.938 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.491 5.466 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.577 4.217 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.622 5.524 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.646 3.798 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.148 4.740 -0.821 1.00 0.00 H new ATOM 479 N ALA A1966 3.447 7.011 3.235 1.00 0.00 N ATOM 480 CA ALA A1966 3.764 8.407 3.447 1.00 0.00 C ATOM 481 C ALA A1966 4.358 8.637 4.835 1.00 0.00 C ATOM 482 O ALA A1966 5.438 9.205 4.973 1.00 0.00 O ATOM 483 CB ALA A1966 2.494 9.228 3.240 1.00 0.00 C ATOM 0 H ALA A1966 2.474 6.844 2.978 1.00 0.00 H new ATOM 0 HA ALA A1966 4.522 8.723 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.714 10.284 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.127 9.080 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.733 8.907 3.952 1.00 0.00 H new ATOM 489 N GLU A1967 3.690 8.129 5.867 1.00 0.00 N ATOM 490 CA GLU A1967 4.140 8.287 7.248 1.00 0.00 C ATOM 491 C GLU A1967 5.460 7.546 7.482 1.00 0.00 C ATOM 492 O GLU A1967 6.273 7.937 8.322 1.00 0.00 O ATOM 493 CB GLU A1967 3.036 7.836 8.209 1.00 0.00 C ATOM 494 CG GLU A1967 1.693 8.449 7.805 1.00 0.00 C ATOM 495 CD GLU A1967 0.701 8.585 8.955 1.00 0.00 C ATOM 496 OE1 GLU A1967 0.338 7.547 9.556 1.00 0.00 O ATOM 497 OE2 GLU A1967 0.206 9.706 9.208 1.00 0.00 O ATOM 0 H GLU A1967 2.824 7.598 5.771 1.00 0.00 H new ATOM 0 HA GLU A1967 4.339 9.341 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A1967 2.963 6.748 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.287 8.134 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A1967 1.870 9.434 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.245 7.835 7.024 1.00 0.00 H new ATOM 504 N ALA A1968 5.679 6.468 6.726 1.00 0.00 N ATOM 505 CA ALA A1968 6.895 5.667 6.788 1.00 0.00 C ATOM 506 C ALA A1968 8.082 6.431 6.187 1.00 0.00 C ATOM 507 O ALA A1968 9.230 6.065 6.440 1.00 0.00 O ATOM 508 CB ALA A1968 6.709 4.370 6.013 1.00 0.00 C ATOM 0 H ALA A1968 5.003 6.125 6.044 1.00 0.00 H new ATOM 0 HA ALA A1968 7.098 5.450 7.837 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.624 3.780 6.066 1.00 0.00 H new ATOM 0 HB2 ALA A1968 5.885 3.802 6.446 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.484 4.598 4.971 1.00 0.00 H new ATOM 514 N LEU A1969 7.809 7.447 5.360 1.00 0.00 N ATOM 515 CA LEU A1969 8.794 8.291 4.698 1.00 0.00 C ATOM 516 C LEU A1969 8.714 9.739 5.217 1.00 0.00 C ATOM 517 O LEU A1969 9.180 10.649 4.533 1.00 0.00 O ATOM 518 CB LEU A1969 8.627 8.273 3.164 1.00 0.00 C ATOM 519 CG LEU A1969 8.889 6.949 2.429 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.100 7.229 0.938 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.112 6.186 2.945 1.00 0.00 C ATOM 0 H LEU A1969 6.851 7.710 5.128 1.00 0.00 H new ATOM 0 HA LEU A1969 9.776 7.882 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.609 8.587 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.295 9.026 2.746 1.00 0.00 H new ATOM 0 HG LEU A1969 8.014 6.325 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.286 6.291 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.209 7.703 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A1969 9.956 7.892 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.231 5.263 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.003 6.803 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A1969 9.974 5.948 4.000 1.00 0.00 H new ATOM 533 N TYR A1970 8.107 9.974 6.388 1.00 0.00 N ATOM 534 CA TYR A1970 7.957 11.294 7.013 1.00 0.00 C ATOM 535 C TYR A1970 7.377 12.348 6.052 1.00 0.00 C ATOM 536 O TYR A1970 7.824 13.502 6.023 1.00 0.00 O ATOM 537 CB TYR A1970 9.301 11.750 7.613 1.00 0.00 C ATOM 538 CG TYR A1970 10.115 10.678 8.314 1.00 0.00 C ATOM 539 CD1 TYR A1970 9.788 10.286 9.624 1.00 0.00 C ATOM 540 CD2 TYR A1970 11.204 10.078 7.652 1.00 0.00 C ATOM 541 CE1 TYR A1970 10.565 9.321 10.287 1.00 0.00 C ATOM 542 CE2 TYR A1970 11.982 9.106 8.304 1.00 0.00 C ATOM 543 CZ TYR A1970 11.676 8.739 9.634 1.00 0.00 C ATOM 544 OH TYR A1970 12.476 7.854 10.294 1.00 0.00 O ATOM 0 H TYR A1970 7.693 9.226 6.944 1.00 0.00 H new ATOM 0 HA TYR A1970 7.229 11.195 7.818 1.00 0.00 H new ATOM 0 HB2 TYR A1970 9.908 12.174 6.813 1.00 0.00 H new ATOM 0 HB3 TYR A1970 9.105 12.552 8.324 1.00 0.00 H new ATOM 0 HD1 TYR A1970 8.937 10.728 10.122 1.00 0.00 H new ATOM 0 HD2 TYR A1970 11.442 10.366 6.639 1.00 0.00 H new ATOM 0 HE1 TYR A1970 10.314 9.024 11.295 1.00 0.00 H new ATOM 0 HE2 TYR A1970 12.811 8.641 7.791 1.00 0.00 H new ATOM 0 HH TYR A1970 13.191 7.551 9.696 1.00 0.00 H new ATOM 554 N THR A1971 6.385 11.953 5.254 1.00 0.00 N ATOM 555 CA THR A1971 5.741 12.806 4.270 1.00 0.00 C ATOM 556 C THR A1971 4.241 12.513 4.202 1.00 0.00 C ATOM 557 O THR A1971 3.685 11.840 5.074 1.00 0.00 O ATOM 558 CB THR A1971 6.478 12.602 2.934 1.00 0.00 C ATOM 559 OG1 THR A1971 6.160 13.657 2.057 1.00 0.00 O ATOM 560 CG2 THR A1971 6.140 11.261 2.269 1.00 0.00 C ATOM 0 H THR A1971 6.002 11.008 5.279 1.00 0.00 H new ATOM 0 HA THR A1971 5.809 13.859 4.542 1.00 0.00 H new ATOM 0 HB THR A1971 7.546 12.593 3.151 1.00 0.00 H new ATOM 0 HG1 THR A1971 6.985 14.033 1.685 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.688 11.172 1.331 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.422 10.444 2.933 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.069 11.213 2.070 1.00 0.00 H new ATOM 568 N GLU A1972 3.584 13.036 3.167 1.00 0.00 N ATOM 569 CA GLU A1972 2.171 12.897 2.893 1.00 0.00 C ATOM 570 C GLU A1972 1.936 12.245 1.541 1.00 0.00 C ATOM 571 O GLU A1972 2.696 12.425 0.589 1.00 0.00 O ATOM 572 CB GLU A1972 1.488 14.251 3.058 1.00 0.00 C ATOM 573 CG GLU A1972 1.906 15.350 2.077 1.00 0.00 C ATOM 574 CD GLU A1972 1.406 16.733 2.513 1.00 0.00 C ATOM 575 OE1 GLU A1972 0.862 16.894 3.632 1.00 0.00 O ATOM 576 OE2 GLU A1972 1.642 17.689 1.738 1.00 0.00 O ATOM 0 H GLU A1972 4.060 13.599 2.462 1.00 0.00 H new ATOM 0 HA GLU A1972 1.714 12.221 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.412 14.104 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A1972 1.677 14.607 4.071 1.00 0.00 H new ATOM 0 HG2 GLU A1972 2.993 15.367 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A1972 1.515 15.119 1.086 1.00 0.00 H new ATOM 583 N GLU A1973 0.862 11.458 1.452 1.00 0.00 N ATOM 584 CA GLU A1973 0.498 10.773 0.218 1.00 0.00 C ATOM 585 C GLU A1973 0.207 11.770 -0.890 1.00 0.00 C ATOM 586 O GLU A1973 0.248 11.412 -2.063 1.00 0.00 O ATOM 587 CB GLU A1973 -0.663 9.794 0.422 1.00 0.00 C ATOM 588 CG GLU A1973 -1.847 10.244 1.270 1.00 0.00 C ATOM 589 CD GLU A1973 -3.182 9.735 0.703 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.557 10.181 -0.409 1.00 0.00 O ATOM 591 OE2 GLU A1973 -3.893 8.961 1.389 1.00 0.00 O ATOM 0 H GLU A1973 0.226 11.281 2.230 1.00 0.00 H new ATOM 0 HA GLU A1973 1.356 10.175 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -1.044 9.520 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.258 8.887 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -1.723 9.880 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.865 11.333 1.320 1.00 0.00 H new ATOM 598 N SER A1974 -0.067 13.022 -0.532 1.00 0.00 N ATOM 599 CA SER A1974 -0.342 14.058 -1.498 1.00 0.00 C ATOM 600 C SER A1974 0.854 14.273 -2.435 1.00 0.00 C ATOM 601 O SER A1974 0.650 14.852 -3.502 1.00 0.00 O ATOM 602 CB SER A1974 -0.743 15.342 -0.768 1.00 0.00 C ATOM 603 OG SER A1974 -1.667 16.117 -1.518 1.00 0.00 O ATOM 0 H SER A1974 -0.102 13.337 0.438 1.00 0.00 H new ATOM 0 HA SER A1974 -1.176 13.750 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A1974 -1.183 15.088 0.196 1.00 0.00 H new ATOM 0 HB3 SER A1974 0.148 15.937 -0.566 1.00 0.00 H new ATOM 0 HG SER A1974 -1.898 16.926 -1.016 1.00 0.00 H new ATOM 609 N GLU A1975 2.067 13.820 -2.086 1.00 0.00 N ATOM 610 CA GLU A1975 3.232 13.991 -2.962 1.00 0.00 C ATOM 611 C GLU A1975 3.777 12.678 -3.542 1.00 0.00 C ATOM 612 O GLU A1975 4.805 12.690 -4.226 1.00 0.00 O ATOM 613 CB GLU A1975 4.328 14.771 -2.229 1.00 0.00 C ATOM 614 CG GLU A1975 5.086 13.997 -1.126 1.00 0.00 C ATOM 615 CD GLU A1975 6.508 14.549 -0.960 1.00 0.00 C ATOM 616 OE1 GLU A1975 6.682 15.788 -1.077 1.00 0.00 O ATOM 617 OE2 GLU A1975 7.484 13.789 -0.759 1.00 0.00 O ATOM 0 H GLU A1975 2.265 13.336 -1.210 1.00 0.00 H new ATOM 0 HA GLU A1975 2.890 14.563 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A1975 5.053 15.119 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A1975 3.878 15.657 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A1975 4.547 14.076 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A1975 5.128 12.938 -1.381 1.00 0.00 H new ATOM 624 N ILE A1976 3.099 11.555 -3.301 1.00 0.00 N ATOM 625 CA ILE A1976 3.539 10.240 -3.749 1.00 0.00 C ATOM 626 C ILE A1976 2.817 9.811 -5.013 1.00 0.00 C ATOM 627 O ILE A1976 1.588 9.844 -5.098 1.00 0.00 O ATOM 628 CB ILE A1976 3.325 9.234 -2.603 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.111 9.685 -1.366 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.675 7.783 -2.981 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.859 8.801 -0.158 1.00 0.00 C ATOM 0 H ILE A1976 2.220 11.536 -2.784 1.00 0.00 H new ATOM 0 HA ILE A1976 4.599 10.279 -4.002 1.00 0.00 H new ATOM 0 HB ILE A1976 2.258 9.228 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.176 9.683 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.839 10.712 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.499 7.132 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A1976 3.050 7.463 -3.815 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.724 7.726 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.441 9.167 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.799 8.823 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.156 7.778 -0.388 1.00 0.00 H new ATOM 643 N ALA A1977 3.596 9.392 -6.002 1.00 0.00 N ATOM 644 CA ALA A1977 3.080 8.914 -7.273 1.00 0.00 C ATOM 645 C ALA A1977 2.793 7.415 -7.132 1.00 0.00 C ATOM 646 O ALA A1977 3.370 6.727 -6.288 1.00 0.00 O ATOM 647 CB ALA A1977 4.080 9.229 -8.380 1.00 0.00 C ATOM 0 H ALA A1977 4.614 9.375 -5.941 1.00 0.00 H new ATOM 0 HA ALA A1977 2.150 9.413 -7.545 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.692 8.870 -9.333 1.00 0.00 H new ATOM 0 HB2 ALA A1977 4.236 10.306 -8.434 1.00 0.00 H new ATOM 0 HB3 ALA A1977 5.028 8.736 -8.165 1.00 0.00 H new ATOM 653 N GLU A1978 1.916 6.884 -7.979 1.00 0.00 N ATOM 654 CA GLU A1978 1.524 5.475 -7.928 1.00 0.00 C ATOM 655 C GLU A1978 2.447 4.538 -8.697 1.00 0.00 C ATOM 656 O GLU A1978 2.501 3.347 -8.394 1.00 0.00 O ATOM 657 CB GLU A1978 0.063 5.347 -8.373 1.00 0.00 C ATOM 658 CG GLU A1978 -0.854 6.254 -7.543 1.00 0.00 C ATOM 659 CD GLU A1978 -2.334 5.960 -7.752 1.00 0.00 C ATOM 660 OE1 GLU A1978 -2.750 5.640 -8.890 1.00 0.00 O ATOM 661 OE2 GLU A1978 -3.074 6.020 -6.743 1.00 0.00 O ATOM 0 H GLU A1978 1.457 7.415 -8.719 1.00 0.00 H new ATOM 0 HA GLU A1978 1.623 5.146 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A1978 -0.022 5.608 -9.428 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.260 4.311 -8.274 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.612 6.136 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.656 7.294 -7.801 1.00 0.00 H new ATOM 668 N ASP A1979 3.185 5.095 -9.649 1.00 0.00 N ATOM 669 CA ASP A1979 4.157 4.487 -10.552 1.00 0.00 C ATOM 670 C ASP A1979 5.590 4.897 -10.200 1.00 0.00 C ATOM 671 O ASP A1979 6.522 4.588 -10.953 1.00 0.00 O ATOM 672 CB ASP A1979 3.807 4.849 -12.007 1.00 0.00 C ATOM 673 CG ASP A1979 3.540 6.333 -12.269 1.00 0.00 C ATOM 674 OD1 ASP A1979 3.949 7.212 -11.483 1.00 0.00 O ATOM 675 OD2 ASP A1979 2.785 6.616 -13.229 1.00 0.00 O ATOM 0 H ASP A1979 3.109 6.096 -9.828 1.00 0.00 H new ATOM 0 HA ASP A1979 4.107 3.404 -10.438 1.00 0.00 H new ATOM 0 HB2 ASP A1979 4.625 4.525 -12.651 1.00 0.00 H new ATOM 0 HB3 ASP A1979 2.925 4.281 -12.303 1.00 0.00 H new ATOM 680 N GLN A1980 5.771 5.618 -9.092 1.00 0.00 N ATOM 681 CA GLN A1980 7.074 6.053 -8.614 1.00 0.00 C ATOM 682 C GLN A1980 7.573 4.985 -7.653 1.00 0.00 C ATOM 683 O GLN A1980 6.788 4.317 -6.974 1.00 0.00 O ATOM 684 CB GLN A1980 6.981 7.434 -7.960 1.00 0.00 C ATOM 685 CG GLN A1980 8.263 7.989 -7.319 1.00 0.00 C ATOM 686 CD GLN A1980 9.416 8.152 -8.304 1.00 0.00 C ATOM 687 OE1 GLN A1980 9.887 7.172 -8.880 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.892 9.362 -8.534 1.00 0.00 N ATOM 0 H GLN A1980 5.000 5.918 -8.495 1.00 0.00 H new ATOM 0 HA GLN A1980 7.781 6.165 -9.436 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.644 8.145 -8.715 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.208 7.394 -7.193 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.044 8.956 -6.866 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.575 7.323 -6.514 1.00 0.00 H new ATOM 0 HE21 GLN A1980 9.494 10.167 -8.051 1.00 0.00 H new ATOM 0 HE22 GLN A1980 10.658 9.492 -9.195 1.00 0.00 H new ATOM 697 N LYS A1981 8.888 4.794 -7.625 1.00 0.00 N ATOM 698 CA LYS A1981 9.515 3.798 -6.779 1.00 0.00 C ATOM 699 C LYS A1981 9.688 4.366 -5.384 1.00 0.00 C ATOM 700 O LYS A1981 10.229 5.454 -5.230 1.00 0.00 O ATOM 701 CB LYS A1981 10.826 3.319 -7.418 1.00 0.00 C ATOM 702 CG LYS A1981 10.525 2.781 -8.829 1.00 0.00 C ATOM 703 CD LYS A1981 11.371 1.585 -9.258 1.00 0.00 C ATOM 704 CE LYS A1981 10.614 0.889 -10.396 1.00 0.00 C ATOM 705 NZ LYS A1981 11.280 -0.338 -10.872 1.00 0.00 N ATOM 0 H LYS A1981 9.546 5.329 -8.192 1.00 0.00 H new ATOM 0 HA LYS A1981 8.884 2.914 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.541 4.140 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.281 2.540 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.473 2.499 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.672 3.587 -9.548 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.357 1.909 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.526 0.902 -8.423 1.00 0.00 H new ATOM 0 HE2 LYS A1981 9.609 0.640 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS A1981 10.506 1.583 -11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 10.588 -0.941 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.045 -0.085 -11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 11.677 -0.854 -10.061 1.00 0.00 H new ATOM 719 N PHE A1982 9.301 3.619 -4.355 1.00 0.00 N ATOM 720 CA PHE A1982 9.437 4.088 -2.971 1.00 0.00 C ATOM 721 C PHE A1982 10.903 4.385 -2.648 1.00 0.00 C ATOM 722 O PHE A1982 11.207 5.328 -1.926 1.00 0.00 O ATOM 723 CB PHE A1982 8.891 3.045 -1.996 1.00 0.00 C ATOM 724 CG PHE A1982 7.603 2.392 -2.417 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.488 3.194 -2.684 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.525 0.999 -2.572 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.289 2.590 -3.074 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.315 0.396 -2.950 1.00 0.00 C ATOM 729 CZ PHE A1982 5.184 1.193 -3.184 1.00 0.00 C ATOM 0 H PHE A1982 8.892 2.689 -4.447 1.00 0.00 H new ATOM 0 HA PHE A1982 8.859 5.006 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.645 2.270 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.740 3.520 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.553 4.268 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.399 0.389 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.430 3.207 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.255 -0.677 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.241 0.737 -3.446 1.00 0.00 H new ATOM 739 N VAL A1983 11.832 3.578 -3.162 1.00 0.00 N ATOM 740 CA VAL A1983 13.264 3.761 -2.930 1.00 0.00 C ATOM 741 C VAL A1983 13.744 5.112 -3.475 1.00 0.00 C ATOM 742 O VAL A1983 14.698 5.677 -2.936 1.00 0.00 O ATOM 743 CB VAL A1983 14.054 2.565 -3.489 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.688 1.270 -2.745 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.829 2.344 -4.991 1.00 0.00 C ATOM 0 H VAL A1983 11.611 2.776 -3.753 1.00 0.00 H new ATOM 0 HA VAL A1983 13.451 3.788 -1.857 1.00 0.00 H new ATOM 0 HB VAL A1983 15.105 2.809 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.259 0.439 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A1983 13.922 1.380 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.623 1.072 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.413 1.486 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.771 2.157 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A1983 14.142 3.232 -5.540 1.00 0.00 H new ATOM 755 N ASP A1984 13.093 5.619 -4.526 1.00 0.00 N ATOM 756 CA ASP A1984 13.387 6.901 -5.160 1.00 0.00 C ATOM 757 C ASP A1984 12.825 8.043 -4.305 1.00 0.00 C ATOM 758 O ASP A1984 13.219 9.191 -4.500 1.00 0.00 O ATOM 759 CB ASP A1984 12.849 6.967 -6.608 1.00 0.00 C ATOM 760 CG ASP A1984 13.748 6.302 -7.655 1.00 0.00 C ATOM 761 OD1 ASP A1984 13.912 5.062 -7.640 1.00 0.00 O ATOM 762 OD2 ASP A1984 14.214 7.002 -8.591 1.00 0.00 O ATOM 0 H ASP A1984 12.319 5.127 -4.973 1.00 0.00 H new ATOM 0 HA ASP A1984 14.470 7.008 -5.225 1.00 0.00 H new ATOM 0 HB2 ASP A1984 11.867 6.494 -6.638 1.00 0.00 H new ATOM 0 HB3 ASP A1984 12.708 8.013 -6.881 1.00 0.00 H new ATOM 767 N LEU A1985 11.899 7.747 -3.379 1.00 0.00 N ATOM 768 CA LEU A1985 11.286 8.714 -2.468 1.00 0.00 C ATOM 769 C LEU A1985 12.002 8.710 -1.115 1.00 0.00 C ATOM 770 O LEU A1985 11.996 9.740 -0.442 1.00 0.00 O ATOM 771 CB LEU A1985 9.789 8.418 -2.227 1.00 0.00 C ATOM 772 CG LEU A1985 8.863 8.503 -3.450 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.392 8.395 -3.045 1.00 0.00 C ATOM 774 CD2 LEU A1985 9.084 9.798 -4.239 1.00 0.00 C ATOM 0 H LEU A1985 11.549 6.799 -3.243 1.00 0.00 H new ATOM 0 HA LEU A1985 11.380 9.690 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.704 7.417 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.422 9.114 -1.473 1.00 0.00 H new ATOM 0 HG LEU A1985 9.115 7.658 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.764 8.459 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.221 7.440 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.141 9.209 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.411 9.821 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A1985 8.882 10.655 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.116 9.840 -4.587 1.00 0.00 H new ATOM 786 N GLY A1986 12.616 7.590 -0.707 1.00 0.00 N ATOM 787 CA GLY A1986 13.333 7.479 0.570 1.00 0.00 C ATOM 788 C GLY A1986 13.174 6.146 1.300 1.00 0.00 C ATOM 789 O GLY A1986 13.467 6.067 2.493 1.00 0.00 O ATOM 0 H GLY A1986 12.629 6.731 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.394 7.649 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A1986 12.992 8.277 1.229 1.00 0.00 H new ATOM 793 N LEU A1987 12.674 5.110 0.628 1.00 0.00 N ATOM 794 CA LEU A1987 12.452 3.791 1.212 1.00 0.00 C ATOM 795 C LEU A1987 13.751 3.003 1.303 1.00 0.00 C ATOM 796 O LEU A1987 14.338 2.629 0.290 1.00 0.00 O ATOM 797 CB LEU A1987 11.403 3.082 0.353 1.00 0.00 C ATOM 798 CG LEU A1987 10.584 1.934 0.956 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.418 0.786 1.491 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.645 2.464 2.036 1.00 0.00 C ATOM 0 H LEU A1987 12.408 5.166 -0.355 1.00 0.00 H new ATOM 0 HA LEU A1987 12.089 3.879 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.699 3.839 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.912 2.692 -0.529 1.00 0.00 H new ATOM 0 HG LEU A1987 10.005 1.516 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.761 0.018 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A1987 12.014 0.362 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.080 1.152 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.070 1.638 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.229 2.937 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A1987 8.965 3.195 1.600 1.00 0.00 H new ATOM 812 N ASP A1988 14.187 2.735 2.524 1.00 0.00 N ATOM 813 CA ASP A1988 15.396 1.979 2.825 1.00 0.00 C ATOM 814 C ASP A1988 15.018 0.527 3.127 1.00 0.00 C ATOM 815 O ASP A1988 13.847 0.151 3.191 1.00 0.00 O ATOM 816 CB ASP A1988 16.121 2.569 4.031 1.00 0.00 C ATOM 817 CG ASP A1988 17.058 3.729 3.710 1.00 0.00 C ATOM 818 OD1 ASP A1988 16.569 4.849 3.458 1.00 0.00 O ATOM 819 OD2 ASP A1988 18.297 3.538 3.781 1.00 0.00 O ATOM 0 H ASP A1988 13.694 3.047 3.361 1.00 0.00 H new ATOM 0 HA ASP A1988 16.060 2.027 1.962 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.378 2.909 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.696 1.779 4.514 1.00 0.00 H new ATOM 824 N SER A1989 16.016 -0.317 3.351 1.00 0.00 N ATOM 825 CA SER A1989 15.786 -1.726 3.629 1.00 0.00 C ATOM 826 C SER A1989 15.014 -1.950 4.927 1.00 0.00 C ATOM 827 O SER A1989 14.225 -2.895 5.019 1.00 0.00 O ATOM 828 CB SER A1989 17.135 -2.438 3.690 1.00 0.00 C ATOM 829 OG SER A1989 16.949 -3.832 3.594 1.00 0.00 O ATOM 0 H SER A1989 16.999 -0.046 3.345 1.00 0.00 H new ATOM 0 HA SER A1989 15.171 -2.134 2.827 1.00 0.00 H new ATOM 0 HB2 SER A1989 17.775 -2.092 2.879 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.642 -2.194 4.623 1.00 0.00 H new ATOM 0 HG SER A1989 17.819 -4.282 3.632 1.00 0.00 H new ATOM 835 N ILE A1990 15.218 -1.093 5.927 1.00 0.00 N ATOM 836 CA ILE A1990 14.555 -1.237 7.210 1.00 0.00 C ATOM 837 C ILE A1990 13.072 -0.915 7.064 1.00 0.00 C ATOM 838 O ILE A1990 12.229 -1.720 7.462 1.00 0.00 O ATOM 839 CB ILE A1990 15.201 -0.350 8.288 1.00 0.00 C ATOM 840 CG1 ILE A1990 16.713 -0.603 8.427 1.00 0.00 C ATOM 841 CG2 ILE A1990 14.545 -0.635 9.648 1.00 0.00 C ATOM 842 CD1 ILE A1990 17.557 0.222 7.459 1.00 0.00 C ATOM 0 H ILE A1990 15.842 -0.289 5.866 1.00 0.00 H new ATOM 0 HA ILE A1990 14.667 -2.271 7.535 1.00 0.00 H new ATOM 0 HB ILE A1990 15.050 0.685 7.981 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.019 -0.377 9.448 1.00 0.00 H new ATOM 0 HG13 ILE A1990 16.914 -1.661 8.261 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.003 -0.006 10.412 1.00 0.00 H new ATOM 0 HG22 ILE A1990 13.479 -0.417 9.590 1.00 0.00 H new ATOM 0 HG23 ILE A1990 14.688 -1.684 9.908 1.00 0.00 H new ATOM 0 HD11 ILE A1990 18.612 -0.006 7.611 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.277 -0.022 6.434 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.385 1.283 7.640 1.00 0.00 H new ATOM 854 N VAL A1991 12.779 0.256 6.489 1.00 0.00 N ATOM 855 CA VAL A1991 11.438 0.776 6.263 1.00 0.00 C ATOM 856 C VAL A1991 10.608 -0.240 5.486 1.00 0.00 C ATOM 857 O VAL A1991 9.424 -0.418 5.761 1.00 0.00 O ATOM 858 CB VAL A1991 11.462 2.139 5.540 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.075 2.792 5.600 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.452 3.139 6.141 1.00 0.00 C ATOM 0 H VAL A1991 13.505 0.890 6.156 1.00 0.00 H new ATOM 0 HA VAL A1991 10.974 0.942 7.236 1.00 0.00 H new ATOM 0 HB VAL A1991 11.771 1.917 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.103 3.753 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.346 2.143 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A1991 9.789 2.944 6.641 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.412 4.073 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.190 3.330 7.182 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.460 2.728 6.090 1.00 0.00 H new ATOM 870 N GLY A1992 11.222 -0.957 4.545 1.00 0.00 N ATOM 871 CA GLY A1992 10.482 -1.931 3.768 1.00 0.00 C ATOM 872 C GLY A1992 9.904 -3.064 4.618 1.00 0.00 C ATOM 873 O GLY A1992 8.819 -3.554 4.318 1.00 0.00 O ATOM 0 H GLY A1992 12.212 -0.879 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.670 -1.427 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.138 -2.354 3.007 1.00 0.00 H new ATOM 877 N VAL A1993 10.599 -3.489 5.672 1.00 0.00 N ATOM 878 CA VAL A1993 10.160 -4.566 6.555 1.00 0.00 C ATOM 879 C VAL A1993 9.019 -4.097 7.469 1.00 0.00 C ATOM 880 O VAL A1993 8.007 -4.779 7.633 1.00 0.00 O ATOM 881 CB VAL A1993 11.368 -5.027 7.389 1.00 0.00 C ATOM 882 CG1 VAL A1993 10.950 -6.094 8.402 1.00 0.00 C ATOM 883 CG2 VAL A1993 12.498 -5.642 6.566 1.00 0.00 C ATOM 0 H VAL A1993 11.498 -3.087 5.940 1.00 0.00 H new ATOM 0 HA VAL A1993 9.778 -5.396 5.960 1.00 0.00 H new ATOM 0 HB VAL A1993 11.730 -4.116 7.865 1.00 0.00 H new ATOM 0 HG11 VAL A1993 11.819 -6.406 8.981 1.00 0.00 H new ATOM 0 HG12 VAL A1993 10.195 -5.683 9.073 1.00 0.00 H new ATOM 0 HG13 VAL A1993 10.537 -6.954 7.875 1.00 0.00 H new ATOM 0 HG21 VAL A1993 13.310 -5.940 7.229 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.125 -6.516 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A1993 12.866 -4.909 5.848 1.00 0.00 H new ATOM 893 N GLU A1994 9.172 -2.949 8.116 1.00 0.00 N ATOM 894 CA GLU A1994 8.135 -2.421 9.001 1.00 0.00 C ATOM 895 C GLU A1994 6.893 -2.086 8.171 1.00 0.00 C ATOM 896 O GLU A1994 5.766 -2.371 8.586 1.00 0.00 O ATOM 897 CB GLU A1994 8.656 -1.218 9.800 1.00 0.00 C ATOM 898 CG GLU A1994 9.416 -0.227 8.929 1.00 0.00 C ATOM 899 CD GLU A1994 9.912 0.972 9.721 1.00 0.00 C ATOM 900 OE1 GLU A1994 9.123 1.923 9.888 1.00 0.00 O ATOM 901 OE2 GLU A1994 11.087 0.938 10.152 1.00 0.00 O ATOM 0 H GLU A1994 10.004 -2.363 8.046 1.00 0.00 H new ATOM 0 HA GLU A1994 7.856 -3.174 9.738 1.00 0.00 H new ATOM 0 HB2 GLU A1994 7.817 -0.710 10.275 1.00 0.00 H new ATOM 0 HB3 GLU A1994 9.309 -1.571 10.598 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.265 -0.730 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A1994 8.768 0.116 8.122 1.00 0.00 H new ATOM 908 N TRP A1995 7.075 -1.565 6.954 1.00 0.00 N ATOM 909 CA TRP A1995 5.950 -1.230 6.111 1.00 0.00 C ATOM 910 C TRP A1995 5.282 -2.505 5.600 1.00 0.00 C ATOM 911 O TRP A1995 4.055 -2.585 5.624 1.00 0.00 O ATOM 912 CB TRP A1995 6.381 -0.288 5.000 1.00 0.00 C ATOM 913 CG TRP A1995 5.219 0.350 4.312 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.176 0.985 4.896 1.00 0.00 C ATOM 915 CD2 TRP A1995 4.960 0.403 2.887 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.238 1.290 3.930 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.655 0.918 2.671 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.719 0.051 1.760 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.097 1.006 1.388 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.193 0.162 0.465 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.883 0.648 0.278 1.00 0.00 C ATOM 0 H TRP A1995 7.988 -1.371 6.543 1.00 0.00 H new ATOM 0 HA TRP A1995 5.199 -0.694 6.691 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.025 0.488 5.414 1.00 0.00 H new ATOM 0 HB3 TRP A1995 6.974 -0.839 4.270 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.091 1.216 5.948 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.343 1.738 4.125 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.727 -0.312 1.893 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.080 1.343 1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.791 -0.124 -0.388 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.482 0.746 -0.720 1.00 0.00 H new ATOM 932 N THR A1996 6.040 -3.526 5.169 1.00 0.00 N ATOM 933 CA THR A1996 5.402 -4.778 4.719 1.00 0.00 C ATOM 934 C THR A1996 4.591 -5.360 5.893 1.00 0.00 C ATOM 935 O THR A1996 3.531 -5.950 5.689 1.00 0.00 O ATOM 936 CB THR A1996 6.415 -5.760 4.084 1.00 0.00 C ATOM 937 OG1 THR A1996 5.840 -6.572 3.082 1.00 0.00 O ATOM 938 CG2 THR A1996 7.060 -6.735 5.067 1.00 0.00 C ATOM 0 H THR A1996 7.059 -3.516 5.122 1.00 0.00 H new ATOM 0 HA THR A1996 4.706 -4.575 3.905 1.00 0.00 H new ATOM 0 HB THR A1996 7.166 -5.081 3.680 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.523 -7.171 2.714 1.00 0.00 H new ATOM 0 HG21 THR A1996 7.755 -7.384 4.533 1.00 0.00 H new ATOM 0 HG22 THR A1996 7.600 -6.177 5.832 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.287 -7.341 5.538 1.00 0.00 H new ATOM 946 N THR A1997 5.055 -5.158 7.131 1.00 0.00 N ATOM 947 CA THR A1997 4.350 -5.645 8.303 1.00 0.00 C ATOM 948 C THR A1997 3.052 -4.851 8.473 1.00 0.00 C ATOM 949 O THR A1997 1.987 -5.451 8.593 1.00 0.00 O ATOM 950 CB THR A1997 5.256 -5.562 9.539 1.00 0.00 C ATOM 951 OG1 THR A1997 6.360 -6.437 9.364 1.00 0.00 O ATOM 952 CG2 THR A1997 4.464 -5.945 10.787 1.00 0.00 C ATOM 0 H THR A1997 5.919 -4.658 7.339 1.00 0.00 H new ATOM 0 HA THR A1997 4.086 -6.695 8.177 1.00 0.00 H new ATOM 0 HB THR A1997 5.622 -4.543 9.662 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.018 -6.018 8.771 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.112 -5.885 11.662 1.00 0.00 H new ATOM 0 HG22 THR A1997 3.624 -5.261 10.909 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.090 -6.963 10.682 1.00 0.00 H new ATOM 960 N THR A1998 3.120 -3.523 8.381 1.00 0.00 N ATOM 961 CA THR A1998 1.984 -2.618 8.528 1.00 0.00 C ATOM 962 C THR A1998 0.877 -3.028 7.543 1.00 0.00 C ATOM 963 O THR A1998 -0.313 -2.995 7.854 1.00 0.00 O ATOM 964 CB THR A1998 2.513 -1.193 8.255 1.00 0.00 C ATOM 965 OG1 THR A1998 3.547 -0.863 9.166 1.00 0.00 O ATOM 966 CG2 THR A1998 1.444 -0.107 8.329 1.00 0.00 C ATOM 0 H THR A1998 3.996 -3.034 8.196 1.00 0.00 H new ATOM 0 HA THR A1998 1.548 -2.657 9.526 1.00 0.00 H new ATOM 0 HB THR A1998 2.883 -1.219 7.230 1.00 0.00 H new ATOM 0 HG1 THR A1998 4.379 -1.302 8.890 1.00 0.00 H new ATOM 0 HG21 THR A1998 1.897 0.863 8.125 1.00 0.00 H new ATOM 0 HG22 THR A1998 0.669 -0.308 7.589 1.00 0.00 H new ATOM 0 HG23 THR A1998 1.002 -0.099 9.325 1.00 0.00 H new ATOM 974 N ILE A1999 1.268 -3.464 6.348 1.00 0.00 N ATOM 975 CA ILE A1999 0.356 -3.904 5.302 1.00 0.00 C ATOM 976 C ILE A1999 -0.314 -5.217 5.687 1.00 0.00 C ATOM 977 O ILE A1999 -1.525 -5.367 5.518 1.00 0.00 O ATOM 978 CB ILE A1999 1.156 -4.049 3.997 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.348 -2.636 3.414 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.477 -5.004 3.004 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.113 -2.683 2.102 1.00 0.00 C ATOM 0 H ILE A1999 2.250 -3.521 6.077 1.00 0.00 H new ATOM 0 HA ILE A1999 -0.438 -3.170 5.165 1.00 0.00 H new ATOM 0 HB ILE A1999 2.127 -4.501 4.201 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.376 -2.170 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A1999 1.886 -2.014 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.079 -5.075 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.383 -5.992 3.455 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.514 -4.624 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A1999 2.233 -1.671 1.714 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.095 -3.127 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A1999 1.561 -3.285 1.380 1.00 0.00 H new ATOM 993 N ASN A2000 0.473 -6.180 6.162 1.00 0.00 N ATOM 994 CA ASN A2000 -0.040 -7.487 6.537 1.00 0.00 C ATOM 995 C ASN A2000 -1.072 -7.349 7.632 1.00 0.00 C ATOM 996 O ASN A2000 -2.067 -8.060 7.629 1.00 0.00 O ATOM 997 CB ASN A2000 1.074 -8.380 7.094 1.00 0.00 C ATOM 998 CG ASN A2000 2.158 -8.691 6.097 1.00 0.00 C ATOM 999 OD1 ASN A2000 1.918 -8.727 4.902 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.375 -8.925 6.554 1.00 0.00 N ATOM 0 H ASN A2000 1.479 -6.073 6.296 1.00 0.00 H new ATOM 0 HA ASN A2000 -0.470 -7.929 5.638 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.519 -7.892 7.961 1.00 0.00 H new ATOM 0 HB3 ASN A2000 0.637 -9.315 7.445 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.131 -9.140 5.904 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.559 -8.891 7.557 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.814 -6.426 8.551 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.659 -6.128 9.686 1.00 0.00 C ATOM 1009 C GLN A2001 -2.961 -5.483 9.213 1.00 0.00 C ATOM 1010 O GLN A2001 -3.976 -5.656 9.877 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.880 -5.190 10.624 1.00 0.00 C ATOM 1012 CG GLN A2001 0.413 -5.830 11.173 1.00 0.00 C ATOM 1013 CD GLN A2001 0.304 -6.295 12.619 1.00 0.00 C ATOM 1014 OE1 GLN A2001 1.223 -6.144 13.421 1.00 0.00 O ATOM 1015 NE2 GLN A2001 -0.796 -6.925 12.993 1.00 0.00 N ATOM 0 H GLN A2001 0.024 -5.846 8.519 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.923 -7.040 10.221 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.628 -4.275 10.088 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.521 -4.904 11.458 1.00 0.00 H new ATOM 0 HG2 GLN A2001 0.680 -6.681 10.547 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.226 -5.109 11.094 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -1.561 -7.052 12.331 1.00 0.00 H new ATOM 0 HE22 GLN A2001 -0.880 -7.284 13.944 1.00 0.00 H new ATOM 1024 N THR A2002 -2.916 -4.721 8.117 1.00 0.00 N ATOM 1025 CA THR A2002 -4.064 -4.046 7.535 1.00 0.00 C ATOM 1026 C THR A2002 -5.030 -4.961 6.762 1.00 0.00 C ATOM 1027 O THR A2002 -6.248 -4.760 6.816 1.00 0.00 O ATOM 1028 CB THR A2002 -3.563 -2.905 6.631 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.755 -2.003 7.366 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.701 -2.096 5.999 1.00 0.00 C ATOM 0 H THR A2002 -2.052 -4.556 7.600 1.00 0.00 H new ATOM 0 HA THR A2002 -4.653 -3.662 8.368 1.00 0.00 H new ATOM 0 HB THR A2002 -2.994 -3.389 5.838 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.847 -2.363 7.440 1.00 0.00 H new ATOM 0 HG21 THR A2002 -4.283 -1.307 5.374 1.00 0.00 H new ATOM 0 HG22 THR A2002 -5.319 -2.754 5.388 1.00 0.00 H new ATOM 0 HG23 THR A2002 -5.311 -1.651 6.785 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.494 -5.884 5.949 1.00 0.00 N ATOM 1039 CA TYR A2003 -5.285 -6.793 5.116 1.00 0.00 C ATOM 1040 C TYR A2003 -5.258 -8.261 5.529 1.00 0.00 C ATOM 1041 O TYR A2003 -5.779 -9.082 4.773 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.875 -6.617 3.648 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.939 -5.188 3.168 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -6.189 -4.621 2.878 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.763 -4.419 3.069 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -6.275 -3.282 2.480 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.843 -3.072 2.673 1.00 0.00 C ATOM 1048 CZ TYR A2003 -5.105 -2.500 2.383 1.00 0.00 C ATOM 1049 OH TYR A2003 -5.190 -1.200 2.007 1.00 0.00 O ATOM 0 H TYR A2003 -3.488 -6.019 5.853 1.00 0.00 H new ATOM 0 HA TYR A2003 -6.326 -6.506 5.264 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.859 -6.990 3.516 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.524 -7.231 3.023 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -7.085 -5.218 2.962 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.804 -4.862 3.296 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -7.236 -2.848 2.247 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.946 -2.477 2.591 1.00 0.00 H new ATOM 0 HH TYR A2003 -4.293 -0.805 1.991 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.652 -8.604 6.663 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.524 -9.955 7.204 1.00 0.00 C ATOM 1061 C ASN A2004 -3.767 -10.842 6.228 1.00 0.00 C ATOM 1062 O ASN A2004 -4.315 -11.802 5.699 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.928 -10.500 7.526 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.880 -11.834 8.241 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -5.467 -11.884 9.397 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -6.299 -12.913 7.598 1.00 0.00 N ATOM 0 H ASN A2004 -4.212 -7.907 7.263 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.947 -9.941 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -6.462 -9.778 8.145 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.494 -10.607 6.601 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -6.285 -13.821 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -6.636 -12.836 6.638 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.504 -10.512 5.964 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.658 -11.234 5.012 1.00 0.00 C ATOM 1075 C LEU A2005 -0.321 -11.610 5.633 1.00 0.00 C ATOM 1076 O LEU A2005 -0.123 -11.468 6.838 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.396 -10.347 3.779 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.562 -9.507 3.253 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -2.014 -8.547 2.202 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.716 -10.321 2.675 1.00 0.00 C ATOM 0 H LEU A2005 -2.032 -9.726 6.410 1.00 0.00 H new ATOM 0 HA LEU A2005 -2.181 -12.146 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.576 -9.671 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -1.052 -10.990 2.969 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.990 -8.975 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.826 -7.935 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.260 -7.903 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.563 -9.116 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.498 -9.647 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.355 -10.921 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -4.120 -10.977 3.446 1.00 0.00 H new ATOM 1092 N ASN A2006 0.602 -12.112 4.820 1.00 0.00 N ATOM 1093 CA ASN A2006 1.948 -12.485 5.232 1.00 0.00 C ATOM 1094 C ASN A2006 2.853 -12.069 4.079 1.00 0.00 C ATOM 1095 O ASN A2006 2.882 -12.726 3.039 1.00 0.00 O ATOM 1096 CB ASN A2006 2.013 -14.000 5.462 1.00 0.00 C ATOM 1097 CG ASN A2006 3.456 -14.482 5.509 1.00 0.00 C ATOM 1098 OD1 ASN A2006 4.298 -13.908 6.198 1.00 0.00 O ATOM 1099 ND2 ASN A2006 3.796 -15.513 4.756 1.00 0.00 N ATOM 0 H ASN A2006 0.428 -12.275 3.828 1.00 0.00 H new ATOM 0 HA ASN A2006 2.249 -12.005 6.163 1.00 0.00 H new ATOM 0 HB2 ASN A2006 1.511 -14.252 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.479 -14.516 4.664 1.00 0.00 H new ATOM 0 HD21 ASN A2006 4.763 -15.838 4.743 1.00 0.00 H new ATOM 0 HD22 ASN A2006 3.092 -15.984 4.188 1.00 0.00 H new ATOM 1106 N LEU A2007 3.694 -11.062 4.282 1.00 0.00 N ATOM 1107 CA LEU A2007 4.602 -10.527 3.268 1.00 0.00 C ATOM 1108 C LEU A2007 5.938 -10.207 3.905 1.00 0.00 C ATOM 1109 O LEU A2007 6.046 -10.188 5.137 1.00 0.00 O ATOM 1110 CB LEU A2007 4.003 -9.283 2.611 1.00 0.00 C ATOM 1111 CG LEU A2007 2.592 -9.437 2.004 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.009 -8.058 1.694 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.642 -10.294 0.744 1.00 0.00 C ATOM 0 H LEU A2007 3.767 -10.581 5.178 1.00 0.00 H new ATOM 0 HA LEU A2007 4.750 -11.276 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A2007 3.970 -8.487 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.680 -8.954 1.822 1.00 0.00 H new ATOM 0 HG LEU A2007 1.948 -9.937 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.013 -8.172 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A2007 1.944 -7.475 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.653 -7.542 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.638 -10.391 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.293 -9.822 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.030 -11.282 0.991 1.00 0.00 H new ATOM 1125 N LYS A2008 6.983 -10.046 3.088 1.00 0.00 N ATOM 1126 CA LYS A2008 8.309 -9.742 3.604 1.00 0.00 C ATOM 1127 C LYS A2008 8.957 -8.672 2.761 1.00 0.00 C ATOM 1128 O LYS A2008 8.420 -8.313 1.715 1.00 0.00 O ATOM 1129 CB LYS A2008 9.150 -11.010 3.785 1.00 0.00 C ATOM 1130 CG LYS A2008 9.710 -11.696 2.528 1.00 0.00 C ATOM 1131 CD LYS A2008 11.229 -11.954 2.532 1.00 0.00 C ATOM 1132 CE LYS A2008 11.732 -12.473 3.886 1.00 0.00 C ATOM 1133 NZ LYS A2008 13.137 -12.939 3.853 1.00 0.00 N ATOM 0 H LYS A2008 6.931 -10.122 2.072 1.00 0.00 H new ATOM 0 HA LYS A2008 8.224 -9.329 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A2008 9.992 -10.762 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.542 -11.740 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.198 -12.649 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.466 -11.082 1.661 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.474 -12.678 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.752 -11.031 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A2008 11.637 -11.680 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.093 -13.293 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.413 -13.276 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 13.229 -13.716 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.757 -12.153 3.571 1.00 0.00 H new ATOM 1147 N ALA A2009 10.164 -8.261 3.144 1.00 0.00 N ATOM 1148 CA ALA A2009 10.953 -7.233 2.483 1.00 0.00 C ATOM 1149 C ALA A2009 11.039 -7.429 0.969 1.00 0.00 C ATOM 1150 O ALA A2009 11.106 -6.438 0.244 1.00 0.00 O ATOM 1151 CB ALA A2009 12.326 -7.125 3.142 1.00 0.00 C ATOM 0 H ALA A2009 10.636 -8.654 3.958 1.00 0.00 H new ATOM 0 HA ALA A2009 10.438 -6.281 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A2009 12.910 -6.353 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.205 -6.864 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.844 -8.081 3.063 1.00 0.00 H new ATOM 1157 N THR A2010 10.981 -8.675 0.481 1.00 0.00 N ATOM 1158 CA THR A2010 11.017 -8.971 -0.943 1.00 0.00 C ATOM 1159 C THR A2010 9.899 -8.221 -1.665 1.00 0.00 C ATOM 1160 O THR A2010 10.092 -7.864 -2.814 1.00 0.00 O ATOM 1161 CB THR A2010 10.904 -10.484 -1.194 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.325 -10.784 -2.510 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.475 -11.001 -1.018 1.00 0.00 C ATOM 0 H THR A2010 10.908 -9.504 1.071 1.00 0.00 H new ATOM 0 HA THR A2010 11.976 -8.637 -1.339 1.00 0.00 H new ATOM 0 HB THR A2010 11.540 -10.974 -0.457 1.00 0.00 H new ATOM 0 HG1 THR A2010 11.253 -11.749 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.451 -12.074 -1.207 1.00 0.00 H new ATOM 0 HG22 THR A2010 9.140 -10.804 0.000 1.00 0.00 H new ATOM 0 HG23 THR A2010 8.815 -10.494 -1.722 1.00 0.00 H new ATOM 1171 N LYS A2011 8.743 -7.958 -1.033 1.00 0.00 N ATOM 1172 CA LYS A2011 7.646 -7.239 -1.676 1.00 0.00 C ATOM 1173 C LYS A2011 8.104 -5.894 -2.186 1.00 0.00 C ATOM 1174 O LYS A2011 7.769 -5.522 -3.302 1.00 0.00 O ATOM 1175 CB LYS A2011 6.494 -6.964 -0.709 1.00 0.00 C ATOM 1176 CG LYS A2011 5.598 -8.131 -0.401 1.00 0.00 C ATOM 1177 CD LYS A2011 5.007 -8.759 -1.654 1.00 0.00 C ATOM 1178 CE LYS A2011 5.778 -10.039 -1.918 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.351 -11.277 -1.223 1.00 0.00 N ATOM 0 H LYS A2011 8.550 -8.237 -0.071 1.00 0.00 H new ATOM 0 HA LYS A2011 7.312 -7.881 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.912 -6.596 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.883 -6.162 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.164 -8.885 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.790 -7.802 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A2011 3.947 -8.970 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.089 -8.078 -2.501 1.00 0.00 H new ATOM 0 HE2 LYS A2011 5.743 -10.232 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A2011 6.821 -9.857 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 5.633 -12.105 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 5.802 -11.323 -0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 4.317 -11.272 -1.109 1.00 0.00 H new ATOM 1193 N LEU A2012 8.867 -5.180 -1.368 1.00 0.00 N ATOM 1194 CA LEU A2012 9.384 -3.864 -1.735 1.00 0.00 C ATOM 1195 C LEU A2012 10.344 -3.959 -2.931 1.00 0.00 C ATOM 1196 O LEU A2012 10.580 -2.968 -3.625 1.00 0.00 O ATOM 1197 CB LEU A2012 10.024 -3.200 -0.499 1.00 0.00 C ATOM 1198 CG LEU A2012 9.006 -2.464 0.398 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.547 -1.192 -0.315 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.827 -3.330 0.840 1.00 0.00 C ATOM 0 H LEU A2012 9.144 -5.492 -0.437 1.00 0.00 H new ATOM 0 HA LEU A2012 8.563 -3.227 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.533 -3.962 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.785 -2.492 -0.829 1.00 0.00 H new ATOM 0 HG LEU A2012 9.512 -2.205 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.827 -0.664 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.407 -0.549 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.079 -1.455 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.157 -2.741 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.286 -3.683 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.196 -4.185 1.407 1.00 0.00 H new ATOM 1212 N TYR A2013 10.894 -5.151 -3.178 1.00 0.00 N ATOM 1213 CA TYR A2013 11.800 -5.427 -4.276 1.00 0.00 C ATOM 1214 C TYR A2013 11.044 -5.978 -5.493 1.00 0.00 C ATOM 1215 O TYR A2013 11.458 -5.737 -6.625 1.00 0.00 O ATOM 1216 CB TYR A2013 12.909 -6.381 -3.806 1.00 0.00 C ATOM 1217 CG TYR A2013 14.170 -6.256 -4.637 1.00 0.00 C ATOM 1218 CD1 TYR A2013 15.077 -5.213 -4.364 1.00 0.00 C ATOM 1219 CD2 TYR A2013 14.407 -7.124 -5.720 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.182 -4.999 -5.203 1.00 0.00 C ATOM 1221 CE2 TYR A2013 15.517 -6.917 -6.559 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.387 -5.831 -6.325 1.00 0.00 C ATOM 1223 OH TYR A2013 17.429 -5.581 -7.166 1.00 0.00 O ATOM 0 H TYR A2013 10.710 -5.969 -2.597 1.00 0.00 H new ATOM 0 HA TYR A2013 12.267 -4.495 -4.595 1.00 0.00 H new ATOM 0 HB2 TYR A2013 13.144 -6.175 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.546 -7.408 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.922 -4.576 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A2013 13.736 -7.949 -5.907 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.875 -4.198 -4.990 1.00 0.00 H new ATOM 0 HE2 TYR A2013 15.703 -7.590 -7.383 1.00 0.00 H new ATOM 0 HH TYR A2013 17.433 -6.244 -7.888 1.00 0.00 H new ATOM 1233 N ASP A2014 9.946 -6.705 -5.261 1.00 0.00 N ATOM 1234 CA ASP A2014 9.076 -7.336 -6.252 1.00 0.00 C ATOM 1235 C ASP A2014 8.153 -6.299 -6.894 1.00 0.00 C ATOM 1236 O ASP A2014 7.934 -6.308 -8.103 1.00 0.00 O ATOM 1237 CB ASP A2014 8.249 -8.395 -5.488 1.00 0.00 C ATOM 1238 CG ASP A2014 7.593 -9.499 -6.316 1.00 0.00 C ATOM 1239 OD1 ASP A2014 7.662 -9.486 -7.564 1.00 0.00 O ATOM 1240 OD2 ASP A2014 7.096 -10.458 -5.678 1.00 0.00 O ATOM 0 H ASP A2014 9.622 -6.878 -4.310 1.00 0.00 H new ATOM 0 HA ASP A2014 9.656 -7.789 -7.056 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.901 -8.866 -4.752 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.466 -7.877 -4.934 1.00 0.00 H new ATOM 1245 N TYR A2015 7.676 -5.344 -6.090 1.00 0.00 N ATOM 1246 CA TYR A2015 6.762 -4.284 -6.487 1.00 0.00 C ATOM 1247 C TYR A2015 7.128 -2.956 -5.789 1.00 0.00 C ATOM 1248 O TYR A2015 6.521 -2.591 -4.783 1.00 0.00 O ATOM 1249 CB TYR A2015 5.322 -4.721 -6.166 1.00 0.00 C ATOM 1250 CG TYR A2015 4.968 -6.188 -6.334 1.00 0.00 C ATOM 1251 CD1 TYR A2015 4.792 -6.760 -7.607 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.791 -6.981 -5.186 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.348 -8.085 -7.734 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.388 -8.321 -5.305 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.145 -8.871 -6.582 1.00 0.00 C ATOM 1256 OH TYR A2015 3.716 -10.156 -6.700 1.00 0.00 O ATOM 0 H TYR A2015 7.931 -5.292 -5.104 1.00 0.00 H new ATOM 0 HA TYR A2015 6.843 -4.109 -7.560 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.111 -4.443 -5.133 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.648 -4.141 -6.797 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.000 -6.176 -8.491 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.966 -6.557 -4.208 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.162 -8.502 -8.713 1.00 0.00 H new ATOM 0 HE2 TYR A2015 4.264 -8.929 -4.421 1.00 0.00 H new ATOM 0 HH TYR A2015 2.904 -10.280 -6.165 1.00 0.00 H new ATOM 1266 N PRO A2016 8.107 -2.192 -6.293 1.00 0.00 N ATOM 1267 CA PRO A2016 8.518 -0.911 -5.712 1.00 0.00 C ATOM 1268 C PRO A2016 7.499 0.224 -5.906 1.00 0.00 C ATOM 1269 O PRO A2016 7.808 1.337 -5.484 1.00 0.00 O ATOM 1270 CB PRO A2016 9.832 -0.567 -6.408 1.00 0.00 C ATOM 1271 CG PRO A2016 9.657 -1.214 -7.775 1.00 0.00 C ATOM 1272 CD PRO A2016 8.912 -2.504 -7.458 1.00 0.00 C ATOM 0 HA PRO A2016 8.609 -1.010 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A2016 9.981 0.510 -6.484 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.692 -0.971 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.088 -0.577 -8.452 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.617 -1.411 -8.253 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.290 -2.817 -8.296 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.605 -3.320 -7.253 1.00 0.00 H new ATOM 1280 N THR A2017 6.350 0.011 -6.558 1.00 0.00 N ATOM 1281 CA THR A2017 5.330 1.039 -6.754 1.00 0.00 C ATOM 1282 C THR A2017 4.007 0.506 -6.219 1.00 0.00 C ATOM 1283 O THR A2017 3.780 -0.701 -6.125 1.00 0.00 O ATOM 1284 CB THR A2017 5.210 1.537 -8.202 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.378 0.711 -8.992 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.541 1.678 -8.933 1.00 0.00 C ATOM 0 H THR A2017 6.103 -0.890 -6.967 1.00 0.00 H new ATOM 0 HA THR A2017 5.632 1.926 -6.197 1.00 0.00 H new ATOM 0 HB THR A2017 4.770 2.528 -8.086 1.00 0.00 H new ATOM 0 HG1 THR A2017 4.332 1.069 -9.903 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.363 2.034 -9.948 1.00 0.00 H new ATOM 0 HG22 THR A2017 7.173 2.391 -8.404 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.040 0.709 -8.971 1.00 0.00 H new ATOM 1294 N LEU A2018 3.106 1.410 -5.854 1.00 0.00 N ATOM 1295 CA LEU A2018 1.793 1.094 -5.298 1.00 0.00 C ATOM 1296 C LEU A2018 0.928 0.335 -6.273 1.00 0.00 C ATOM 1297 O LEU A2018 0.132 -0.492 -5.833 1.00 0.00 O ATOM 1298 CB LEU A2018 1.046 2.404 -4.992 1.00 0.00 C ATOM 1299 CG LEU A2018 1.829 3.319 -4.057 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.219 4.699 -3.960 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.863 2.703 -2.666 1.00 0.00 C ATOM 0 H LEU A2018 3.272 2.413 -5.939 1.00 0.00 H new ATOM 0 HA LEU A2018 1.965 0.488 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.845 2.930 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A2018 0.081 2.171 -4.543 1.00 0.00 H new ATOM 0 HG LEU A2018 2.834 3.423 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.813 5.313 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.203 5.160 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.200 4.621 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.422 3.354 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.845 2.586 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.347 1.727 -2.712 1.00 0.00 H new ATOM 1313 N LEU A2019 1.050 0.635 -7.562 1.00 0.00 N ATOM 1314 CA LEU A2019 0.261 0.001 -8.609 1.00 0.00 C ATOM 1315 C LEU A2019 0.439 -1.511 -8.553 1.00 0.00 C ATOM 1316 O LEU A2019 -0.540 -2.250 -8.443 1.00 0.00 O ATOM 1317 CB LEU A2019 0.652 0.604 -9.971 1.00 0.00 C ATOM 1318 CG LEU A2019 0.097 2.024 -10.150 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.862 2.735 -11.262 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.399 2.097 -10.447 1.00 0.00 C ATOM 0 H LEU A2019 1.707 1.333 -7.911 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.801 0.194 -8.459 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.738 0.625 -10.060 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.279 -0.035 -10.771 1.00 0.00 H new ATOM 0 HG LEU A2019 0.236 2.515 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.467 3.743 -11.388 1.00 0.00 H new ATOM 0 HD12 LEU A2019 1.919 2.789 -11.000 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.748 2.181 -12.194 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.698 3.139 -10.557 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.613 1.559 -11.370 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -1.955 1.645 -9.626 1.00 0.00 H new ATOM 1332 N GLU A2020 1.684 -1.968 -8.613 1.00 0.00 N ATOM 1333 CA GLU A2020 2.016 -3.380 -8.564 1.00 0.00 C ATOM 1334 C GLU A2020 1.887 -3.954 -7.144 1.00 0.00 C ATOM 1335 O GLU A2020 1.426 -5.086 -6.976 1.00 0.00 O ATOM 1336 CB GLU A2020 3.370 -3.638 -9.233 1.00 0.00 C ATOM 1337 CG GLU A2020 4.396 -2.504 -9.117 1.00 0.00 C ATOM 1338 CD GLU A2020 5.732 -2.806 -9.803 1.00 0.00 C ATOM 1339 OE1 GLU A2020 5.898 -3.910 -10.364 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.609 -1.913 -9.863 1.00 0.00 O ATOM 0 H GLU A2020 2.498 -1.359 -8.698 1.00 0.00 H new ATOM 0 HA GLU A2020 1.281 -3.935 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.802 -4.540 -8.800 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.199 -3.842 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.973 -1.598 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.578 -2.298 -8.062 1.00 0.00 H new ATOM 1347 N LEU A2021 2.229 -3.166 -6.110 1.00 0.00 N ATOM 1348 CA LEU A2021 2.154 -3.609 -4.717 1.00 0.00 C ATOM 1349 C LEU A2021 0.719 -3.972 -4.356 1.00 0.00 C ATOM 1350 O LEU A2021 0.488 -5.057 -3.818 1.00 0.00 O ATOM 1351 CB LEU A2021 2.697 -2.550 -3.747 1.00 0.00 C ATOM 1352 CG LEU A2021 3.113 -3.171 -2.392 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.626 -3.354 -2.323 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.731 -2.273 -1.224 1.00 0.00 C ATOM 0 H LEU A2021 2.563 -2.209 -6.221 1.00 0.00 H new ATOM 0 HA LEU A2021 2.784 -4.493 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.555 -2.051 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.937 -1.787 -3.579 1.00 0.00 H new ATOM 0 HG LEU A2021 2.595 -4.128 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.896 -3.792 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.950 -4.015 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.115 -2.386 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.039 -2.741 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.229 -1.309 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.651 -2.124 -1.217 1.00 0.00 H new ATOM 1366 N SER A2022 -0.226 -3.062 -4.625 1.00 0.00 N ATOM 1367 CA SER A2022 -1.638 -3.277 -4.343 1.00 0.00 C ATOM 1368 C SER A2022 -2.189 -4.395 -5.219 1.00 0.00 C ATOM 1369 O SER A2022 -3.061 -5.124 -4.754 1.00 0.00 O ATOM 1370 CB SER A2022 -2.469 -1.999 -4.521 1.00 0.00 C ATOM 1371 OG SER A2022 -2.306 -1.389 -5.784 1.00 0.00 O ATOM 0 H SER A2022 -0.025 -2.155 -5.046 1.00 0.00 H new ATOM 0 HA SER A2022 -1.717 -3.569 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A2022 -3.523 -2.238 -4.376 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.194 -1.286 -3.744 1.00 0.00 H new ATOM 0 HG SER A2022 -1.591 -0.721 -5.735 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.658 -4.548 -6.439 1.00 0.00 N ATOM 1378 CA GLY A2023 -2.061 -5.563 -7.399 1.00 0.00 C ATOM 1379 C GLY A2023 -1.956 -6.933 -6.762 1.00 0.00 C ATOM 1380 O GLY A2023 -2.924 -7.694 -6.762 1.00 0.00 O ATOM 0 H GLY A2023 -0.913 -3.945 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.084 -5.381 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.427 -5.513 -8.285 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.799 -7.215 -6.158 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.584 -8.490 -5.508 1.00 0.00 C ATOM 1386 C TYR A2024 -1.501 -8.606 -4.298 1.00 0.00 C ATOM 1387 O TYR A2024 -2.301 -9.527 -4.257 1.00 0.00 O ATOM 1388 CB TYR A2024 0.894 -8.686 -5.140 1.00 0.00 C ATOM 1389 CG TYR A2024 1.248 -10.084 -4.647 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.838 -11.202 -5.400 1.00 0.00 C ATOM 1391 CD2 TYR A2024 1.992 -10.286 -3.461 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.146 -12.506 -4.984 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.253 -11.596 -3.012 1.00 0.00 C ATOM 1394 CZ TYR A2024 1.853 -12.710 -3.782 1.00 0.00 C ATOM 1395 OH TYR A2024 2.160 -13.972 -3.373 1.00 0.00 O ATOM 0 H TYR A2024 -0.006 -6.575 -6.111 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.835 -9.293 -6.202 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.505 -8.458 -6.013 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.161 -7.965 -4.367 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.278 -11.053 -6.311 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.359 -9.439 -2.901 1.00 0.00 H new ATOM 0 HE1 TYR A2024 0.842 -13.351 -5.583 1.00 0.00 H new ATOM 0 HE2 TYR A2024 2.763 -11.749 -2.072 1.00 0.00 H new ATOM 0 HH TYR A2024 2.650 -13.931 -2.525 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.476 -7.647 -3.364 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.296 -7.682 -2.146 1.00 0.00 C ATOM 1407 C ILE A2025 -3.761 -7.969 -2.468 1.00 0.00 C ATOM 1408 O ILE A2025 -4.334 -8.866 -1.847 1.00 0.00 O ATOM 1409 CB ILE A2025 -2.174 -6.349 -1.358 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.727 -6.137 -0.870 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -3.195 -6.258 -0.196 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.516 -4.792 -0.174 1.00 0.00 C ATOM 0 H ILE A2025 -0.883 -6.820 -3.432 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.919 -8.493 -1.523 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.420 -5.538 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.461 -6.940 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A2025 -0.049 -6.209 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -3.070 -5.308 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -4.207 -6.323 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -3.027 -7.079 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.523 -4.706 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.751 -3.983 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -1.169 -4.726 0.696 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.353 -7.241 -3.414 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.742 -7.399 -3.806 1.00 0.00 C ATOM 1426 C ALA A2026 -6.067 -8.848 -4.167 1.00 0.00 C ATOM 1427 O ALA A2026 -7.193 -9.273 -3.938 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.049 -6.451 -4.973 1.00 0.00 C ATOM 0 H ALA A2026 -3.866 -6.512 -3.936 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.377 -7.141 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.091 -6.566 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.872 -5.421 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.402 -6.691 -5.817 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.127 -9.583 -4.766 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.259 -10.985 -5.170 1.00 0.00 C ATOM 1436 C GLN A2027 -5.135 -11.939 -3.976 1.00 0.00 C ATOM 1437 O GLN A2027 -5.700 -13.032 -4.004 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.215 -11.319 -6.251 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.497 -10.516 -7.532 1.00 0.00 C ATOM 1440 CD GLN A2027 -3.368 -10.497 -8.561 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -2.253 -10.989 -8.378 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -3.656 -9.925 -9.713 1.00 0.00 N ATOM 0 H GLN A2027 -4.210 -9.199 -4.993 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.258 -11.124 -5.584 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.215 -11.090 -5.883 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.238 -12.386 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -5.390 -10.924 -8.006 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -4.726 -9.488 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -4.579 -9.518 -9.864 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -2.956 -9.889 -10.454 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.390 -11.555 -2.938 1.00 0.00 N ATOM 1452 CA ILE A2028 -4.178 -12.366 -1.744 1.00 0.00 C ATOM 1453 C ILE A2028 -5.427 -12.308 -0.876 1.00 0.00 C ATOM 1454 O ILE A2028 -5.998 -13.342 -0.541 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.959 -11.887 -0.920 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.718 -11.661 -1.789 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.618 -12.882 0.197 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.595 -10.909 -1.077 1.00 0.00 C ATOM 0 H ILE A2028 -3.910 -10.656 -2.906 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.977 -13.388 -2.066 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.247 -10.932 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.340 -12.627 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -2.007 -11.105 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.757 -12.518 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.472 -12.983 0.867 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.382 -13.852 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.249 -10.787 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.954 -9.928 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.277 -11.474 -0.201 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.882 -11.106 -0.515 1.00 0.00 N ATOM 1471 CA LEU A2029 -7.070 -10.979 0.325 1.00 0.00 C ATOM 1472 C LEU A2029 -8.305 -11.509 -0.386 1.00 0.00 C ATOM 1473 O LEU A2029 -9.213 -12.017 0.265 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.281 -9.557 0.845 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.290 -8.402 -0.166 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.654 -8.165 -0.808 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.838 -7.121 0.530 1.00 0.00 C ATOM 0 H LEU A2029 -5.453 -10.222 -0.787 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.899 -11.599 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -8.231 -9.537 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.499 -9.352 1.576 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.606 -8.682 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.586 -7.335 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.968 -9.064 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.384 -7.926 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.843 -6.298 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.518 -6.893 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.830 -7.256 0.921 1.00 0.00 H new ATOM 1489 N SER A2030 -8.352 -11.428 -1.716 1.00 0.00 N ATOM 1490 CA SER A2030 -9.522 -11.937 -2.424 1.00 0.00 C ATOM 1491 C SER A2030 -9.486 -13.463 -2.450 1.00 0.00 C ATOM 1492 O SER A2030 -10.514 -14.102 -2.647 1.00 0.00 O ATOM 1493 CB SER A2030 -9.620 -11.355 -3.833 1.00 0.00 C ATOM 1494 OG SER A2030 -8.516 -11.730 -4.627 1.00 0.00 O ATOM 0 H SER A2030 -7.621 -11.030 -2.306 1.00 0.00 H new ATOM 0 HA SER A2030 -10.418 -11.620 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A2030 -10.541 -11.696 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A2030 -9.675 -10.268 -3.775 1.00 0.00 H new ATOM 0 HG SER A2030 -7.828 -12.136 -4.060 1.00 0.00 H new ATOM 1500 N SER A2031 -8.286 -14.037 -2.320 1.00 0.00 N ATOM 1501 CA SER A2031 -8.055 -15.467 -2.314 1.00 0.00 C ATOM 1502 C SER A2031 -8.524 -15.969 -0.955 1.00 0.00 C ATOM 1503 O SER A2031 -9.066 -17.069 -0.864 1.00 0.00 O ATOM 1504 CB SER A2031 -6.575 -15.732 -2.652 1.00 0.00 C ATOM 1505 OG SER A2031 -6.084 -17.003 -2.284 1.00 0.00 O ATOM 0 H SER A2031 -7.429 -13.494 -2.213 1.00 0.00 H new ATOM 0 HA SER A2031 -8.613 -16.017 -3.072 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.438 -15.606 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.967 -14.972 -2.162 1.00 0.00 H new ATOM 0 HG SER A2031 -5.141 -17.076 -2.540 1.00 0.00 H new