USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1964 GLN : amide:sc= 0.661 K(o=2.2,f=1.4) USER MOD Set 1.2: A2002 THR OG1 : rot 76:sc= 1.5 USER MOD Single : A1955 SER OG : rot 40:sc= 0.244 USER MOD Single : A1958 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.11) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1962 LYS NZ :NH3+ 159:sc= 0.584 (180deg=-0.0552) USER MOD Single : A1963 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.9!) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 110:sc= -0.622 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= 1.12 K(o=1.1,f=-7.6!) 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 170:sc= 0.132 USER MOD Single : A1997 THR OG1 : rot 78:sc= 0.939 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0 USER MOD Single : A2000 ASN : amide:sc= -0.134 K(o=-0.13,f=-8.2!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A2003 TYR OH : rot 180:sc= 0 USER MOD Single : A2004 ASN : amide:sc= -0.0474 K(o=-0.047,f=-0.81) USER MOD Single : A2006 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.012) 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+ -149:sc= 0 (180deg=-0.0341) USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2015 TYR OH : rot -119:sc= 0.0998 USER MOD Single : A2017 THR OG1 : rot -91:sc= 0.0578 USER MOD Single : A2022 SER OG : rot -130:sc= 0 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A2030 SER OG : rot 180:sc= 0 USER MOD Single : A2031 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -8.340 -0.342 -5.153 1.00 0.00 N ATOM 286 CA SER A1955 -8.164 1.084 -4.921 1.00 0.00 C ATOM 287 C SER A1955 -8.202 1.489 -3.448 1.00 0.00 C ATOM 288 O SER A1955 -7.470 2.400 -3.058 1.00 0.00 O ATOM 289 CB SER A1955 -9.217 1.826 -5.745 1.00 0.00 C ATOM 290 OG SER A1955 -9.165 1.406 -7.103 1.00 0.00 O ATOM 0 HA SER A1955 -7.159 1.360 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A1955 -10.209 1.636 -5.336 1.00 0.00 H new ATOM 0 HB3 SER A1955 -9.047 2.901 -5.683 1.00 0.00 H new ATOM 0 HG SER A1955 -9.019 0.438 -7.141 1.00 0.00 H new ATOM 296 N GLU A1956 -9.025 0.827 -2.642 1.00 0.00 N ATOM 297 CA GLU A1956 -9.181 1.092 -1.211 1.00 0.00 C ATOM 298 C GLU A1956 -7.868 0.727 -0.517 1.00 0.00 C ATOM 299 O GLU A1956 -7.428 1.399 0.413 1.00 0.00 O ATOM 300 CB GLU A1956 -10.353 0.283 -0.617 1.00 0.00 C ATOM 301 CG GLU A1956 -11.494 0.034 -1.614 1.00 0.00 C ATOM 302 CD GLU A1956 -12.950 0.076 -1.159 1.00 0.00 C ATOM 303 OE1 GLU A1956 -13.448 1.165 -0.815 1.00 0.00 O ATOM 304 OE2 GLU A1956 -13.658 -0.925 -1.441 1.00 0.00 O ATOM 0 H GLU A1956 -9.621 0.068 -2.973 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.411 2.146 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.978 -0.676 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -10.748 0.814 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.387 0.767 -2.414 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -11.325 -0.948 -2.057 1.00 0.00 H new ATOM 311 N ILE A1957 -7.215 -0.334 -0.989 1.00 0.00 N ATOM 312 CA ILE A1957 -5.949 -0.780 -0.444 1.00 0.00 C ATOM 313 C ILE A1957 -4.859 0.189 -0.899 1.00 0.00 C ATOM 314 O ILE A1957 -4.075 0.663 -0.081 1.00 0.00 O ATOM 315 CB ILE A1957 -5.631 -2.201 -0.923 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.745 -3.214 -0.587 1.00 0.00 C ATOM 317 CG2 ILE A1957 -4.277 -2.639 -0.337 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.837 -4.313 -1.657 1.00 0.00 C ATOM 0 H ILE A1957 -7.556 -0.905 -1.762 1.00 0.00 H new ATOM 0 HA ILE A1957 -6.001 -0.797 0.645 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.572 -2.184 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -6.549 -3.665 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.701 -2.696 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -4.044 -3.649 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.497 -1.956 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -4.329 -2.622 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.631 -5.012 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -7.058 -3.862 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.888 -4.846 -1.714 1.00 0.00 H new ATOM 330 N LYS A1958 -4.819 0.529 -2.196 1.00 0.00 N ATOM 331 CA LYS A1958 -3.813 1.424 -2.768 1.00 0.00 C ATOM 332 C LYS A1958 -3.704 2.731 -1.979 1.00 0.00 C ATOM 333 O LYS A1958 -2.591 3.198 -1.721 1.00 0.00 O ATOM 334 CB LYS A1958 -4.105 1.676 -4.256 1.00 0.00 C ATOM 335 CG LYS A1958 -2.972 2.488 -4.909 1.00 0.00 C ATOM 336 CD LYS A1958 -3.151 2.776 -6.401 1.00 0.00 C ATOM 337 CE LYS A1958 -4.589 3.129 -6.789 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.682 3.770 -8.113 1.00 0.00 N ATOM 0 H LYS A1958 -5.492 0.185 -2.880 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.842 0.935 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -4.221 0.724 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -5.048 2.212 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.877 3.437 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -2.034 1.950 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.495 3.599 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -2.833 1.903 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.194 2.223 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -5.010 3.796 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.661 3.712 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -4.401 4.768 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -4.050 3.283 -8.780 1.00 0.00 H new ATOM 352 N GLN A1959 -4.840 3.329 -1.607 1.00 0.00 N ATOM 353 CA GLN A1959 -4.816 4.571 -0.849 1.00 0.00 C ATOM 354 C GLN A1959 -4.203 4.354 0.539 1.00 0.00 C ATOM 355 O GLN A1959 -3.382 5.167 0.971 1.00 0.00 O ATOM 356 CB GLN A1959 -6.209 5.221 -0.783 1.00 0.00 C ATOM 357 CG GLN A1959 -7.318 4.371 -0.149 1.00 0.00 C ATOM 358 CD GLN A1959 -8.609 5.134 0.131 1.00 0.00 C ATOM 359 OE1 GLN A1959 -9.523 5.157 -0.687 1.00 0.00 O ATOM 360 NE2 GLN A1959 -8.704 5.760 1.293 1.00 0.00 N ATOM 0 H GLN A1959 -5.773 2.975 -1.818 1.00 0.00 H new ATOM 0 HA GLN A1959 -4.173 5.276 -1.376 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -6.127 6.153 -0.223 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.514 5.484 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.541 3.533 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -6.948 3.950 0.786 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -7.929 5.725 1.956 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -9.552 6.277 1.526 1.00 0.00 H new ATOM 369 N VAL A1960 -4.562 3.257 1.216 1.00 0.00 N ATOM 370 CA VAL A1960 -4.051 2.933 2.538 1.00 0.00 C ATOM 371 C VAL A1960 -2.551 2.724 2.425 1.00 0.00 C ATOM 372 O VAL A1960 -1.808 3.294 3.213 1.00 0.00 O ATOM 373 CB VAL A1960 -4.784 1.719 3.137 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.085 1.218 4.411 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.244 2.057 3.465 1.00 0.00 C ATOM 0 H VAL A1960 -5.221 2.569 0.852 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.238 3.753 3.231 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.760 0.932 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.627 0.360 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.063 0.923 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.069 2.015 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.735 1.180 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.275 2.872 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.761 2.360 2.554 1.00 0.00 H new ATOM 385 N LEU A1961 -2.075 1.954 1.440 1.00 0.00 N ATOM 386 CA LEU A1961 -0.656 1.719 1.252 1.00 0.00 C ATOM 387 C LEU A1961 0.081 3.051 1.257 1.00 0.00 C ATOM 388 O LEU A1961 1.055 3.183 1.989 1.00 0.00 O ATOM 389 CB LEU A1961 -0.350 1.024 -0.079 1.00 0.00 C ATOM 390 CG LEU A1961 -0.801 -0.419 -0.263 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.420 -0.848 -1.681 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.230 -1.332 0.824 1.00 0.00 C ATOM 0 H LEU A1961 -2.668 1.482 0.758 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.330 1.073 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.801 1.617 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.729 1.056 -0.230 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.882 -0.502 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.730 -1.880 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.918 -0.201 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.660 -0.770 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.574 -2.353 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.859 -1.305 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.568 -0.989 1.802 1.00 0.00 H new ATOM 404 N LYS A1962 -0.382 4.030 0.468 1.00 0.00 N ATOM 405 CA LYS A1962 0.249 5.337 0.394 1.00 0.00 C ATOM 406 C LYS A1962 0.396 5.926 1.792 1.00 0.00 C ATOM 407 O LYS A1962 1.482 6.363 2.157 1.00 0.00 O ATOM 408 CB LYS A1962 -0.561 6.268 -0.523 1.00 0.00 C ATOM 409 CG LYS A1962 0.327 7.405 -1.037 1.00 0.00 C ATOM 410 CD LYS A1962 -0.411 8.433 -1.895 1.00 0.00 C ATOM 411 CE LYS A1962 -0.698 8.031 -3.342 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.077 7.547 -3.533 1.00 0.00 N ATOM 0 H LYS A1962 -1.201 3.930 -0.131 1.00 0.00 H new ATOM 0 HA LYS A1962 1.246 5.230 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -0.964 5.703 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.411 6.678 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.777 7.914 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.143 6.979 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.359 8.665 -1.410 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.174 9.352 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.524 8.887 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A1962 0.002 7.252 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.336 7.625 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.140 6.552 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.729 8.121 -2.961 1.00 0.00 H new ATOM 426 N GLN A1963 -0.683 5.908 2.570 1.00 0.00 N ATOM 427 CA GLN A1963 -0.720 6.446 3.920 1.00 0.00 C ATOM 428 C GLN A1963 0.222 5.725 4.892 1.00 0.00 C ATOM 429 O GLN A1963 0.874 6.381 5.701 1.00 0.00 O ATOM 430 CB GLN A1963 -2.191 6.490 4.404 1.00 0.00 C ATOM 431 CG GLN A1963 -2.577 5.499 5.513 1.00 0.00 C ATOM 432 CD GLN A1963 -4.070 5.513 5.818 1.00 0.00 C ATOM 433 OE1 GLN A1963 -4.901 5.231 4.963 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.449 5.775 7.051 1.00 0.00 N ATOM 0 H GLN A1963 -1.573 5.510 2.270 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.331 7.464 3.898 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.404 7.499 4.758 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -2.838 6.311 3.546 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.280 4.493 5.216 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.022 5.740 6.420 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -3.754 6.009 7.759 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.438 5.744 7.298 1.00 0.00 H new ATOM 443 N GLN A1964 0.305 4.392 4.822 1.00 0.00 N ATOM 444 CA GLN A1964 1.131 3.580 5.706 1.00 0.00 C ATOM 445 C GLN A1964 2.603 3.822 5.400 1.00 0.00 C ATOM 446 O GLN A1964 3.455 3.833 6.283 1.00 0.00 O ATOM 447 CB GLN A1964 0.748 2.088 5.565 1.00 0.00 C ATOM 448 CG GLN A1964 -0.744 1.800 5.821 1.00 0.00 C ATOM 449 CD GLN A1964 -1.025 0.574 6.686 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.299 0.689 7.875 1.00 0.00 O ATOM 451 NE2 GLN A1964 -1.002 -0.621 6.117 1.00 0.00 N ATOM 0 H GLN A1964 -0.211 3.843 4.135 1.00 0.00 H new ATOM 0 HA GLN A1964 0.955 3.867 6.743 1.00 0.00 H new ATOM 0 HB2 GLN A1964 1.006 1.750 4.561 1.00 0.00 H new ATOM 0 HB3 GLN A1964 1.346 1.502 6.263 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.190 2.673 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.244 1.671 4.861 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -0.773 -0.710 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -1.213 -1.453 6.669 1.00 0.00 H new ATOM 460 N LEU A1965 2.914 3.973 4.115 1.00 0.00 N ATOM 461 CA LEU A1965 4.272 4.215 3.659 1.00 0.00 C ATOM 462 C LEU A1965 4.678 5.662 3.937 1.00 0.00 C ATOM 463 O LEU A1965 5.849 5.908 4.203 1.00 0.00 O ATOM 464 CB LEU A1965 4.386 3.793 2.182 1.00 0.00 C ATOM 465 CG LEU A1965 4.804 4.901 1.214 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.322 5.090 1.240 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.343 4.571 -0.191 1.00 0.00 C ATOM 0 H LEU A1965 2.227 3.930 3.362 1.00 0.00 H new ATOM 0 HA LEU A1965 4.986 3.607 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A1965 5.107 2.979 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.423 3.396 1.860 1.00 0.00 H new ATOM 0 HG LEU A1965 4.333 5.832 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.602 5.882 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.638 5.362 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.809 4.161 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.647 5.368 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.793 3.631 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.257 4.477 -0.205 1.00 0.00 H new ATOM 479 N ALA A1966 3.734 6.606 3.894 1.00 0.00 N ATOM 480 CA ALA A1966 4.015 8.010 4.131 1.00 0.00 C ATOM 481 C ALA A1966 4.672 8.179 5.486 1.00 0.00 C ATOM 482 O ALA A1966 5.735 8.778 5.595 1.00 0.00 O ATOM 483 CB ALA A1966 2.731 8.834 4.039 1.00 0.00 C ATOM 0 H ALA A1966 2.753 6.410 3.693 1.00 0.00 H new ATOM 0 HA ALA A1966 4.701 8.372 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.959 9.885 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.297 8.722 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A1966 2.020 8.484 4.787 1.00 0.00 H new ATOM 489 N GLU A1967 4.071 7.578 6.503 1.00 0.00 N ATOM 490 CA GLU A1967 4.580 7.651 7.854 1.00 0.00 C ATOM 491 C GLU A1967 5.973 7.028 7.933 1.00 0.00 C ATOM 492 O GLU A1967 6.863 7.560 8.601 1.00 0.00 O ATOM 493 CB GLU A1967 3.593 6.936 8.777 1.00 0.00 C ATOM 494 CG GLU A1967 2.189 7.557 8.699 1.00 0.00 C ATOM 495 CD GLU A1967 1.669 7.929 10.084 1.00 0.00 C ATOM 496 OE1 GLU A1967 2.223 8.886 10.680 1.00 0.00 O ATOM 497 OE2 GLU A1967 0.695 7.315 10.570 1.00 0.00 O ATOM 0 H GLU A1967 3.217 7.028 6.409 1.00 0.00 H new ATOM 0 HA GLU A1967 4.677 8.690 8.167 1.00 0.00 H new ATOM 0 HB2 GLU A1967 3.540 5.882 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.955 6.983 9.804 1.00 0.00 H new ATOM 0 HG2 GLU A1967 2.217 8.445 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.503 6.853 8.228 1.00 0.00 H new ATOM 504 N ALA A1968 6.182 5.919 7.218 1.00 0.00 N ATOM 505 CA ALA A1968 7.442 5.196 7.182 1.00 0.00 C ATOM 506 C ALA A1968 8.569 6.072 6.633 1.00 0.00 C ATOM 507 O ALA A1968 9.715 5.954 7.071 1.00 0.00 O ATOM 508 CB ALA A1968 7.256 3.914 6.369 1.00 0.00 C ATOM 0 H ALA A1968 5.459 5.495 6.637 1.00 0.00 H new ATOM 0 HA ALA A1968 7.737 4.924 8.196 1.00 0.00 H new ATOM 0 HB1 ALA A1968 8.197 3.364 6.336 1.00 0.00 H new ATOM 0 HB2 ALA A1968 6.490 3.295 6.836 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.949 4.168 5.355 1.00 0.00 H new ATOM 514 N LEU A1969 8.243 6.962 5.691 1.00 0.00 N ATOM 515 CA LEU A1969 9.187 7.881 5.068 1.00 0.00 C ATOM 516 C LEU A1969 9.113 9.282 5.700 1.00 0.00 C ATOM 517 O LEU A1969 9.589 10.245 5.096 1.00 0.00 O ATOM 518 CB LEU A1969 8.956 7.966 3.550 1.00 0.00 C ATOM 519 CG LEU A1969 9.110 6.653 2.768 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.243 6.974 1.275 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.336 5.837 3.180 1.00 0.00 C ATOM 0 H LEU A1969 7.292 7.062 5.336 1.00 0.00 H new ATOM 0 HA LEU A1969 10.187 7.485 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.952 8.352 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.653 8.695 3.137 1.00 0.00 H new ATOM 0 HG LEU A1969 8.224 6.057 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.353 6.047 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.352 7.501 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A1969 10.119 7.602 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.381 4.924 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.238 6.425 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.264 5.580 4.237 1.00 0.00 H new ATOM 533 N TYR A1970 8.515 9.406 6.892 1.00 0.00 N ATOM 534 CA TYR A1970 8.348 10.652 7.636 1.00 0.00 C ATOM 535 C TYR A1970 7.708 11.740 6.763 1.00 0.00 C ATOM 536 O TYR A1970 8.186 12.874 6.728 1.00 0.00 O ATOM 537 CB TYR A1970 9.684 11.101 8.263 1.00 0.00 C ATOM 538 CG TYR A1970 10.488 10.023 8.963 1.00 0.00 C ATOM 539 CD1 TYR A1970 10.053 9.492 10.192 1.00 0.00 C ATOM 540 CD2 TYR A1970 11.680 9.556 8.377 1.00 0.00 C ATOM 541 CE1 TYR A1970 10.804 8.486 10.829 1.00 0.00 C ATOM 542 CE2 TYR A1970 12.433 8.554 9.009 1.00 0.00 C ATOM 543 CZ TYR A1970 11.989 7.997 10.227 1.00 0.00 C ATOM 544 OH TYR A1970 12.682 6.965 10.785 1.00 0.00 O ATOM 0 H TYR A1970 8.119 8.604 7.381 1.00 0.00 H new ATOM 0 HA TYR A1970 7.657 10.472 8.460 1.00 0.00 H new ATOM 0 HB2 TYR A1970 10.303 11.535 7.478 1.00 0.00 H new ATOM 0 HB3 TYR A1970 9.477 11.895 8.981 1.00 0.00 H new ATOM 0 HD1 TYR A1970 9.143 9.856 10.646 1.00 0.00 H new ATOM 0 HD2 TYR A1970 12.016 9.970 7.438 1.00 0.00 H new ATOM 0 HE1 TYR A1970 10.476 8.087 11.777 1.00 0.00 H new ATOM 0 HE2 TYR A1970 13.354 8.209 8.562 1.00 0.00 H new ATOM 0 HH TYR A1970 13.467 6.763 10.235 1.00 0.00 H new ATOM 554 N THR A1971 6.626 11.412 6.057 1.00 0.00 N ATOM 555 CA THR A1971 5.936 12.342 5.174 1.00 0.00 C ATOM 556 C THR A1971 4.415 12.129 5.220 1.00 0.00 C ATOM 557 O THR A1971 3.890 11.500 6.145 1.00 0.00 O ATOM 558 CB THR A1971 6.576 12.209 3.778 1.00 0.00 C ATOM 559 OG1 THR A1971 6.225 13.333 3.018 1.00 0.00 O ATOM 560 CG2 THR A1971 6.139 10.956 3.010 1.00 0.00 C ATOM 0 H THR A1971 6.203 10.484 6.085 1.00 0.00 H new ATOM 0 HA THR A1971 6.057 13.376 5.497 1.00 0.00 H new ATOM 0 HB THR A1971 7.652 12.129 3.934 1.00 0.00 H new ATOM 0 HG1 THR A1971 7.015 13.896 2.883 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.632 10.935 2.038 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.415 10.067 3.577 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.058 10.975 2.868 1.00 0.00 H new ATOM 568 N GLU A1972 3.701 12.684 4.240 1.00 0.00 N ATOM 569 CA GLU A1972 2.266 12.613 4.054 1.00 0.00 C ATOM 570 C GLU A1972 1.946 11.957 2.713 1.00 0.00 C ATOM 571 O GLU A1972 2.680 12.115 1.738 1.00 0.00 O ATOM 572 CB GLU A1972 1.661 14.019 4.148 1.00 0.00 C ATOM 573 CG GLU A1972 2.089 14.979 3.029 1.00 0.00 C ATOM 574 CD GLU A1972 1.477 16.365 3.204 1.00 0.00 C ATOM 575 OE1 GLU A1972 0.262 16.454 3.503 1.00 0.00 O ATOM 576 OE2 GLU A1972 2.196 17.368 3.024 1.00 0.00 O ATOM 0 H GLU A1972 4.150 13.233 3.507 1.00 0.00 H new ATOM 0 HA GLU A1972 1.825 12.001 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.574 13.933 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A1972 1.938 14.455 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.176 15.061 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A1972 1.789 14.569 2.065 1.00 0.00 H new ATOM 583 N GLU A1973 0.849 11.204 2.631 1.00 0.00 N ATOM 584 CA GLU A1973 0.472 10.566 1.367 1.00 0.00 C ATOM 585 C GLU A1973 0.075 11.606 0.323 1.00 0.00 C ATOM 586 O GLU A1973 0.128 11.345 -0.877 1.00 0.00 O ATOM 587 CB GLU A1973 -0.626 9.509 1.542 1.00 0.00 C ATOM 588 CG GLU A1973 -1.704 9.727 2.593 1.00 0.00 C ATOM 589 CD GLU A1973 -2.518 11.004 2.443 1.00 0.00 C ATOM 590 OE1 GLU A1973 -2.974 11.318 1.318 1.00 0.00 O ATOM 591 OE2 GLU A1973 -2.770 11.639 3.486 1.00 0.00 O ATOM 0 H GLU A1973 0.215 11.022 3.409 1.00 0.00 H new ATOM 0 HA GLU A1973 1.356 10.040 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -1.125 9.391 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.137 8.561 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -2.386 8.877 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.233 9.731 3.576 1.00 0.00 H new ATOM 598 N SER A1974 -0.271 12.806 0.774 1.00 0.00 N ATOM 599 CA SER A1974 -0.668 13.898 -0.102 1.00 0.00 C ATOM 600 C SER A1974 0.439 14.194 -1.123 1.00 0.00 C ATOM 601 O SER A1974 0.146 14.508 -2.283 1.00 0.00 O ATOM 602 CB SER A1974 -1.011 15.138 0.735 1.00 0.00 C ATOM 603 OG SER A1974 -1.603 16.168 -0.036 1.00 0.00 O ATOM 0 H SER A1974 -0.284 13.049 1.765 1.00 0.00 H new ATOM 0 HA SER A1974 -1.559 13.609 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A1974 -1.691 14.853 1.538 1.00 0.00 H new ATOM 0 HB3 SER A1974 -0.104 15.517 1.205 1.00 0.00 H new ATOM 0 HG SER A1974 -1.804 16.934 0.541 1.00 0.00 H new ATOM 609 N GLU A1975 1.707 13.999 -0.752 1.00 0.00 N ATOM 610 CA GLU A1975 2.818 14.277 -1.650 1.00 0.00 C ATOM 611 C GLU A1975 3.376 13.049 -2.385 1.00 0.00 C ATOM 612 O GLU A1975 4.278 13.222 -3.209 1.00 0.00 O ATOM 613 CB GLU A1975 3.891 15.035 -0.861 1.00 0.00 C ATOM 614 CG GLU A1975 4.566 14.203 0.229 1.00 0.00 C ATOM 615 CD GLU A1975 5.912 14.793 0.617 1.00 0.00 C ATOM 616 OE1 GLU A1975 5.951 15.891 1.226 1.00 0.00 O ATOM 617 OE2 GLU A1975 6.931 14.131 0.325 1.00 0.00 O ATOM 0 H GLU A1975 1.984 13.650 0.165 1.00 0.00 H new ATOM 0 HA GLU A1975 2.444 14.896 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A1975 4.652 15.393 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A1975 3.438 15.915 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A1975 3.920 14.156 1.106 1.00 0.00 H new ATOM 0 HG3 GLU A1975 4.702 13.180 -0.122 1.00 0.00 H new ATOM 624 N ILE A1976 2.863 11.839 -2.146 1.00 0.00 N ATOM 625 CA ILE A1976 3.349 10.597 -2.762 1.00 0.00 C ATOM 626 C ILE A1976 2.546 10.216 -4.006 1.00 0.00 C ATOM 627 O ILE A1976 1.315 10.300 -4.006 1.00 0.00 O ATOM 628 CB ILE A1976 3.309 9.454 -1.717 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.118 9.830 -0.467 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.752 8.086 -2.279 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.969 8.816 0.664 1.00 0.00 C ATOM 0 H ILE A1976 2.083 11.690 -1.506 1.00 0.00 H new ATOM 0 HA ILE A1976 4.376 10.762 -3.088 1.00 0.00 H new ATOM 0 HB ILE A1976 2.262 9.334 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.171 9.916 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.797 10.810 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.698 7.334 -1.491 1.00 0.00 H new ATOM 0 HG22 ILE A1976 3.094 7.799 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.777 8.157 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.563 9.136 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.921 8.747 0.955 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.316 7.840 0.325 1.00 0.00 H new ATOM 643 N ALA A1977 3.233 9.765 -5.058 1.00 0.00 N ATOM 644 CA ALA A1977 2.595 9.329 -6.293 1.00 0.00 C ATOM 645 C ALA A1977 2.288 7.824 -6.206 1.00 0.00 C ATOM 646 O ALA A1977 2.694 7.123 -5.285 1.00 0.00 O ATOM 647 CB ALA A1977 3.485 9.686 -7.482 1.00 0.00 C ATOM 0 H ALA A1977 4.250 9.693 -5.073 1.00 0.00 H new ATOM 0 HA ALA A1977 1.645 9.844 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.007 9.359 -8.405 1.00 0.00 H new ATOM 0 HB2 ALA A1977 3.635 10.765 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A1977 4.449 9.189 -7.377 1.00 0.00 H new ATOM 653 N GLU A1978 1.559 7.294 -7.181 1.00 0.00 N ATOM 654 CA GLU A1978 1.162 5.889 -7.244 1.00 0.00 C ATOM 655 C GLU A1978 2.061 5.073 -8.157 1.00 0.00 C ATOM 656 O GLU A1978 2.186 3.865 -7.964 1.00 0.00 O ATOM 657 CB GLU A1978 -0.315 5.818 -7.684 1.00 0.00 C ATOM 658 CG GLU A1978 -1.190 6.672 -6.756 1.00 0.00 C ATOM 659 CD GLU A1978 -2.694 6.626 -7.007 1.00 0.00 C ATOM 660 OE1 GLU A1978 -3.180 6.022 -7.986 1.00 0.00 O ATOM 661 OE2 GLU A1978 -3.406 7.207 -6.144 1.00 0.00 O ATOM 0 H GLU A1978 1.218 7.842 -7.971 1.00 0.00 H new ATOM 0 HA GLU A1978 1.272 5.445 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A1978 -0.413 6.169 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.657 4.783 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -1.006 6.358 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.862 7.708 -6.836 1.00 0.00 H new ATOM 668 N ASP A1979 2.692 5.755 -9.109 1.00 0.00 N ATOM 669 CA ASP A1979 3.598 5.222 -10.121 1.00 0.00 C ATOM 670 C ASP A1979 5.057 5.537 -9.786 1.00 0.00 C ATOM 671 O ASP A1979 5.954 5.259 -10.588 1.00 0.00 O ATOM 672 CB ASP A1979 3.180 5.813 -11.477 1.00 0.00 C ATOM 673 CG ASP A1979 3.863 5.148 -12.671 1.00 0.00 C ATOM 674 OD1 ASP A1979 3.635 3.942 -12.904 1.00 0.00 O ATOM 675 OD2 ASP A1979 4.565 5.852 -13.444 1.00 0.00 O ATOM 0 H ASP A1979 2.575 6.764 -9.199 1.00 0.00 H new ATOM 0 HA ASP A1979 3.529 4.135 -10.156 1.00 0.00 H new ATOM 0 HB2 ASP A1979 2.100 5.718 -11.588 1.00 0.00 H new ATOM 0 HB3 ASP A1979 3.409 6.879 -11.485 1.00 0.00 H new ATOM 680 N GLN A1980 5.310 6.178 -8.639 1.00 0.00 N ATOM 681 CA GLN A1980 6.641 6.529 -8.187 1.00 0.00 C ATOM 682 C GLN A1980 7.146 5.419 -7.286 1.00 0.00 C ATOM 683 O GLN A1980 6.381 4.728 -6.612 1.00 0.00 O ATOM 684 CB GLN A1980 6.600 7.886 -7.479 1.00 0.00 C ATOM 685 CG GLN A1980 7.874 8.364 -6.784 1.00 0.00 C ATOM 686 CD GLN A1980 9.102 8.497 -7.675 1.00 0.00 C ATOM 687 OE1 GLN A1980 9.498 7.579 -8.388 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.764 9.626 -7.608 1.00 0.00 N ATOM 0 H GLN A1980 4.575 6.468 -7.994 1.00 0.00 H new ATOM 0 HA GLN A1980 7.330 6.628 -9.025 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.316 8.639 -8.214 1.00 0.00 H new ATOM 0 HB3 GLN A1980 5.805 7.852 -6.734 1.00 0.00 H new ATOM 0 HG2 GLN A1980 7.674 9.332 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.107 7.670 -5.976 1.00 0.00 H new ATOM 0 HE21 GLN A1980 9.425 10.381 -7.012 1.00 0.00 H new ATOM 0 HE22 GLN A1980 10.618 9.749 -8.152 1.00 0.00 H new ATOM 697 N LYS A1981 8.458 5.237 -7.336 1.00 0.00 N ATOM 698 CA LYS A1981 9.182 4.237 -6.593 1.00 0.00 C ATOM 699 C LYS A1981 9.405 4.726 -5.175 1.00 0.00 C ATOM 700 O LYS A1981 9.903 5.834 -4.967 1.00 0.00 O ATOM 701 CB LYS A1981 10.485 3.918 -7.332 1.00 0.00 C ATOM 702 CG LYS A1981 10.156 3.492 -8.775 1.00 0.00 C ATOM 703 CD LYS A1981 10.955 2.280 -9.236 1.00 0.00 C ATOM 704 CE LYS A1981 10.255 1.676 -10.457 1.00 0.00 C ATOM 705 NZ LYS A1981 10.587 2.372 -11.716 1.00 0.00 N ATOM 0 H LYS A1981 9.065 5.810 -7.922 1.00 0.00 H new ATOM 0 HA LYS A1981 8.614 3.310 -6.521 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.137 4.791 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.023 3.121 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.092 3.267 -8.848 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.352 4.327 -9.448 1.00 0.00 H new ATOM 0 HD2 LYS A1981 11.974 2.572 -9.489 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.023 1.544 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS A1981 10.532 0.626 -10.545 1.00 0.00 H new ATOM 0 HE3 LYS A1981 9.176 1.709 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 10.085 1.919 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 10.298 3.369 -11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 11.612 2.319 -11.882 1.00 0.00 H new ATOM 719 N PHE A1982 9.119 3.876 -4.195 1.00 0.00 N ATOM 720 CA PHE A1982 9.294 4.193 -2.786 1.00 0.00 C ATOM 721 C PHE A1982 10.751 4.542 -2.504 1.00 0.00 C ATOM 722 O PHE A1982 11.037 5.466 -1.748 1.00 0.00 O ATOM 723 CB PHE A1982 8.843 3.028 -1.902 1.00 0.00 C ATOM 724 CG PHE A1982 7.538 2.383 -2.282 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.411 3.194 -2.428 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.436 0.993 -2.467 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.188 2.620 -2.789 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.197 0.416 -2.798 1.00 0.00 C ATOM 729 CZ PHE A1982 5.065 1.231 -2.956 1.00 0.00 C ATOM 0 H PHE A1982 8.755 2.938 -4.360 1.00 0.00 H new ATOM 0 HA PHE A1982 8.672 5.056 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.621 2.265 -1.915 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.764 3.385 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.483 4.259 -2.263 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.310 0.368 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.327 3.253 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.116 -0.653 -2.930 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.109 0.794 -3.204 1.00 0.00 H new ATOM 739 N VAL A1983 11.684 3.811 -3.118 1.00 0.00 N ATOM 740 CA VAL A1983 13.115 4.015 -2.939 1.00 0.00 C ATOM 741 C VAL A1983 13.542 5.433 -3.319 1.00 0.00 C ATOM 742 O VAL A1983 14.411 5.993 -2.652 1.00 0.00 O ATOM 743 CB VAL A1983 13.923 2.941 -3.694 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.630 1.551 -3.121 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.638 2.905 -5.203 1.00 0.00 C ATOM 0 H VAL A1983 11.459 3.052 -3.761 1.00 0.00 H new ATOM 0 HA VAL A1983 13.336 3.903 -1.877 1.00 0.00 H new ATOM 0 HB VAL A1983 14.969 3.213 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.208 0.804 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A1983 13.906 1.526 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.567 1.332 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.241 2.126 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.582 2.694 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A1983 13.888 3.870 -5.644 1.00 0.00 H new ATOM 755 N ASP A1984 12.921 6.029 -4.341 1.00 0.00 N ATOM 756 CA ASP A1984 13.248 7.379 -4.791 1.00 0.00 C ATOM 757 C ASP A1984 12.860 8.372 -3.711 1.00 0.00 C ATOM 758 O ASP A1984 13.579 9.338 -3.442 1.00 0.00 O ATOM 759 CB ASP A1984 12.520 7.676 -6.109 1.00 0.00 C ATOM 760 CG ASP A1984 13.059 8.888 -6.882 1.00 0.00 C ATOM 761 OD1 ASP A1984 14.019 9.561 -6.447 1.00 0.00 O ATOM 762 OD2 ASP A1984 12.526 9.148 -7.990 1.00 0.00 O ATOM 0 H ASP A1984 12.176 5.585 -4.879 1.00 0.00 H new ATOM 0 HA ASP A1984 14.319 7.465 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A1984 12.584 6.796 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A1984 11.464 7.839 -5.896 1.00 0.00 H new ATOM 767 N LEU A1985 11.722 8.113 -3.059 1.00 0.00 N ATOM 768 CA LEU A1985 11.242 8.982 -1.993 1.00 0.00 C ATOM 769 C LEU A1985 12.137 8.796 -0.765 1.00 0.00 C ATOM 770 O LEU A1985 12.432 9.771 -0.079 1.00 0.00 O ATOM 771 CB LEU A1985 9.754 8.736 -1.692 1.00 0.00 C ATOM 772 CG LEU A1985 8.781 8.966 -2.871 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.408 9.465 -2.395 1.00 0.00 C ATOM 774 CD2 LEU A1985 9.241 9.983 -3.923 1.00 0.00 C ATOM 0 H LEU A1985 11.122 7.311 -3.253 1.00 0.00 H new ATOM 0 HA LEU A1985 11.305 10.023 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.638 7.709 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.457 9.386 -0.869 1.00 0.00 H new ATOM 0 HG LEU A1985 8.739 7.977 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.756 9.613 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A1985 6.964 8.727 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.528 10.409 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.485 10.067 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A1985 9.384 10.955 -3.451 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.181 9.651 -4.363 1.00 0.00 H new ATOM 786 N GLY A1986 12.660 7.585 -0.538 1.00 0.00 N ATOM 787 CA GLY A1986 13.546 7.285 0.582 1.00 0.00 C ATOM 788 C GLY A1986 13.361 5.915 1.222 1.00 0.00 C ATOM 789 O GLY A1986 13.855 5.684 2.319 1.00 0.00 O ATOM 0 H GLY A1986 12.475 6.780 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.577 7.369 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.403 8.046 1.349 1.00 0.00 H new ATOM 793 N LEU A1987 12.644 4.995 0.578 1.00 0.00 N ATOM 794 CA LEU A1987 12.429 3.656 1.118 1.00 0.00 C ATOM 795 C LEU A1987 13.752 2.924 1.106 1.00 0.00 C ATOM 796 O LEU A1987 14.383 2.770 0.055 1.00 0.00 O ATOM 797 CB LEU A1987 11.339 2.956 0.302 1.00 0.00 C ATOM 798 CG LEU A1987 10.609 1.753 0.920 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.521 0.572 1.212 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.841 2.180 2.179 1.00 0.00 C ATOM 0 H LEU A1987 12.199 5.156 -0.326 1.00 0.00 H new ATOM 0 HA LEU A1987 12.078 3.683 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.587 3.703 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.789 2.624 -0.634 1.00 0.00 H new ATOM 0 HG LEU A1987 9.901 1.403 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.937 -0.240 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A1987 11.983 0.231 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.297 0.877 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.330 1.316 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.539 2.585 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A1987 9.108 2.943 1.917 1.00 0.00 H new ATOM 812 N ASP A1988 14.174 2.493 2.285 1.00 0.00 N ATOM 813 CA ASP A1988 15.416 1.777 2.479 1.00 0.00 C ATOM 814 C ASP A1988 15.122 0.355 2.920 1.00 0.00 C ATOM 815 O ASP A1988 14.008 0.014 3.312 1.00 0.00 O ATOM 816 CB ASP A1988 16.327 2.520 3.449 1.00 0.00 C ATOM 817 CG ASP A1988 16.874 3.827 2.867 1.00 0.00 C ATOM 818 OD1 ASP A1988 17.302 3.806 1.688 1.00 0.00 O ATOM 819 OD2 ASP A1988 16.959 4.828 3.609 1.00 0.00 O ATOM 0 H ASP A1988 13.649 2.636 3.148 1.00 0.00 H new ATOM 0 HA ASP A1988 15.957 1.723 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.776 2.738 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A1988 17.160 1.874 3.725 1.00 0.00 H new ATOM 824 N SER A1989 16.148 -0.483 2.874 1.00 0.00 N ATOM 825 CA SER A1989 16.079 -1.897 3.215 1.00 0.00 C ATOM 826 C SER A1989 15.426 -2.146 4.572 1.00 0.00 C ATOM 827 O SER A1989 14.659 -3.096 4.717 1.00 0.00 O ATOM 828 CB SER A1989 17.498 -2.465 3.158 1.00 0.00 C ATOM 829 OG SER A1989 17.518 -3.873 2.982 1.00 0.00 O ATOM 0 H SER A1989 17.082 -0.188 2.589 1.00 0.00 H new ATOM 0 HA SER A1989 15.440 -2.407 2.494 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.041 -1.993 2.339 1.00 0.00 H new ATOM 0 HB3 SER A1989 18.024 -2.211 4.078 1.00 0.00 H new ATOM 0 HG SER A1989 18.446 -4.186 2.950 1.00 0.00 H new ATOM 835 N ILE A1990 15.718 -1.290 5.547 1.00 0.00 N ATOM 836 CA ILE A1990 15.187 -1.400 6.888 1.00 0.00 C ATOM 837 C ILE A1990 13.675 -1.180 6.851 1.00 0.00 C ATOM 838 O ILE A1990 12.905 -2.059 7.249 1.00 0.00 O ATOM 839 CB ILE A1990 15.899 -0.398 7.827 1.00 0.00 C ATOM 840 CG1 ILE A1990 17.440 -0.520 7.755 1.00 0.00 C ATOM 841 CG2 ILE A1990 15.434 -0.608 9.276 1.00 0.00 C ATOM 842 CD1 ILE A1990 18.071 0.505 6.802 1.00 0.00 C ATOM 0 H ILE A1990 16.340 -0.492 5.419 1.00 0.00 H new ATOM 0 HA ILE A1990 15.373 -2.398 7.284 1.00 0.00 H new ATOM 0 HB ILE A1990 15.629 0.603 7.491 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.858 -0.388 8.753 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.706 -1.525 7.429 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.942 0.103 9.928 1.00 0.00 H new ATOM 0 HG22 ILE A1990 14.357 -0.452 9.339 1.00 0.00 H new ATOM 0 HG23 ILE A1990 15.673 -1.624 9.591 1.00 0.00 H new ATOM 0 HD11 ILE A1990 19.153 0.374 6.791 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.677 0.357 5.796 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.831 1.513 7.141 1.00 0.00 H new ATOM 854 N VAL A1991 13.278 -0.014 6.342 1.00 0.00 N ATOM 855 CA VAL A1991 11.910 0.452 6.207 1.00 0.00 C ATOM 856 C VAL A1991 11.067 -0.545 5.410 1.00 0.00 C ATOM 857 O VAL A1991 9.918 -0.806 5.754 1.00 0.00 O ATOM 858 CB VAL A1991 11.892 1.852 5.557 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.522 2.506 5.762 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.955 2.814 6.107 1.00 0.00 C ATOM 0 H VAL A1991 13.950 0.669 5.993 1.00 0.00 H new ATOM 0 HA VAL A1991 11.466 0.529 7.200 1.00 0.00 H new ATOM 0 HB VAL A1991 12.112 1.683 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.518 3.493 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.751 1.887 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A1991 10.321 2.603 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.875 3.775 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.799 2.956 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.947 2.395 5.938 1.00 0.00 H new ATOM 870 N GLY A1992 11.622 -1.169 4.371 1.00 0.00 N ATOM 871 CA GLY A1992 10.869 -2.115 3.568 1.00 0.00 C ATOM 872 C GLY A1992 10.468 -3.381 4.328 1.00 0.00 C ATOM 873 O GLY A1992 9.431 -3.965 4.020 1.00 0.00 O ATOM 0 H GLY A1992 12.587 -1.033 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.970 -1.626 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.464 -2.396 2.699 1.00 0.00 H new ATOM 877 N VAL A1993 11.259 -3.831 5.303 1.00 0.00 N ATOM 878 CA VAL A1993 10.974 -5.039 6.086 1.00 0.00 C ATOM 879 C VAL A1993 9.876 -4.765 7.111 1.00 0.00 C ATOM 880 O VAL A1993 8.998 -5.603 7.335 1.00 0.00 O ATOM 881 CB VAL A1993 12.296 -5.482 6.757 1.00 0.00 C ATOM 882 CG1 VAL A1993 12.168 -6.597 7.803 1.00 0.00 C ATOM 883 CG2 VAL A1993 13.315 -5.942 5.712 1.00 0.00 C ATOM 0 H VAL A1993 12.124 -3.364 5.576 1.00 0.00 H new ATOM 0 HA VAL A1993 10.605 -5.841 5.446 1.00 0.00 H new ATOM 0 HB VAL A1993 12.625 -4.586 7.283 1.00 0.00 H new ATOM 0 HG11 VAL A1993 13.152 -6.830 8.209 1.00 0.00 H new ATOM 0 HG12 VAL A1993 11.512 -6.267 8.608 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.749 -7.488 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A1993 14.235 -6.248 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.908 -6.785 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.529 -5.122 5.027 1.00 0.00 H new ATOM 893 N GLU A1994 9.929 -3.615 7.764 1.00 0.00 N ATOM 894 CA GLU A1994 8.906 -3.256 8.738 1.00 0.00 C ATOM 895 C GLU A1994 7.617 -2.925 7.981 1.00 0.00 C ATOM 896 O GLU A1994 6.569 -3.492 8.289 1.00 0.00 O ATOM 897 CB GLU A1994 9.376 -2.122 9.654 1.00 0.00 C ATOM 898 CG GLU A1994 9.968 -0.940 8.890 1.00 0.00 C ATOM 899 CD GLU A1994 10.686 0.019 9.825 1.00 0.00 C ATOM 900 OE1 GLU A1994 11.803 -0.342 10.258 1.00 0.00 O ATOM 901 OE2 GLU A1994 10.158 1.129 10.078 1.00 0.00 O ATOM 0 H GLU A1994 10.663 -2.918 7.640 1.00 0.00 H new ATOM 0 HA GLU A1994 8.709 -4.095 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A1994 8.534 -1.775 10.253 1.00 0.00 H new ATOM 0 HB3 GLU A1994 10.123 -2.509 10.347 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.664 -1.305 8.135 1.00 0.00 H new ATOM 0 HG3 GLU A1994 9.174 -0.411 8.363 1.00 0.00 H new ATOM 908 N TRP A1995 7.685 -2.127 6.907 1.00 0.00 N ATOM 909 CA TRP A1995 6.497 -1.759 6.160 1.00 0.00 C ATOM 910 C TRP A1995 5.855 -2.973 5.501 1.00 0.00 C ATOM 911 O TRP A1995 4.627 -3.068 5.448 1.00 0.00 O ATOM 912 CB TRP A1995 6.834 -0.690 5.123 1.00 0.00 C ATOM 913 CG TRP A1995 5.612 -0.097 4.505 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.641 0.562 5.174 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.184 -0.135 3.117 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.638 0.905 4.295 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.929 0.522 3.007 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.747 -0.642 1.933 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.289 0.702 1.773 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.143 -0.433 0.681 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.930 0.273 0.602 1.00 0.00 C ATOM 0 H TRP A1995 8.552 -1.730 6.545 1.00 0.00 H new ATOM 0 HA TRP A1995 5.771 -1.347 6.861 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.420 0.099 5.595 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.458 -1.127 4.343 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.650 0.785 6.231 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.781 1.386 4.567 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.666 -1.206 1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.315 1.165 1.725 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.609 -0.813 -0.216 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.491 0.485 -0.362 1.00 0.00 H new ATOM 932 N THR A1996 6.664 -3.928 5.010 1.00 0.00 N ATOM 933 CA THR A1996 6.059 -5.106 4.393 1.00 0.00 C ATOM 934 C THR A1996 5.230 -5.868 5.429 1.00 0.00 C ATOM 935 O THR A1996 4.302 -6.586 5.057 1.00 0.00 O ATOM 936 CB THR A1996 7.038 -6.036 3.662 1.00 0.00 C ATOM 937 OG1 THR A1996 6.319 -6.749 2.671 1.00 0.00 O ATOM 938 CG2 THR A1996 7.698 -7.059 4.587 1.00 0.00 C ATOM 0 H THR A1996 7.684 -3.908 5.027 1.00 0.00 H new ATOM 0 HA THR A1996 5.412 -4.728 3.602 1.00 0.00 H new ATOM 0 HB THR A1996 7.825 -5.411 3.241 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.948 -7.224 2.089 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.378 -7.686 4.010 1.00 0.00 H new ATOM 0 HG22 THR A1996 8.256 -6.539 5.365 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.931 -7.683 5.046 1.00 0.00 H new ATOM 946 N THR A1997 5.616 -5.777 6.701 1.00 0.00 N ATOM 947 CA THR A1997 4.931 -6.439 7.776 1.00 0.00 C ATOM 948 C THR A1997 3.619 -5.721 8.048 1.00 0.00 C ATOM 949 O THR A1997 2.590 -6.389 8.012 1.00 0.00 O ATOM 950 CB THR A1997 5.828 -6.508 9.017 1.00 0.00 C ATOM 951 OG1 THR A1997 7.050 -7.150 8.679 1.00 0.00 O ATOM 952 CG2 THR A1997 5.071 -7.255 10.111 1.00 0.00 C ATOM 0 H THR A1997 6.424 -5.232 7.002 1.00 0.00 H new ATOM 0 HA THR A1997 4.701 -7.467 7.498 1.00 0.00 H new ATOM 0 HB THR A1997 6.074 -5.512 9.384 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.631 -6.519 8.205 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.691 -7.317 11.005 1.00 0.00 H new ATOM 0 HG22 THR A1997 4.149 -6.722 10.344 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.831 -8.261 9.766 1.00 0.00 H new ATOM 960 N THR A1998 3.614 -4.394 8.190 1.00 0.00 N ATOM 961 CA THR A1998 2.401 -3.622 8.474 1.00 0.00 C ATOM 962 C THR A1998 1.330 -3.927 7.431 1.00 0.00 C ATOM 963 O THR A1998 0.152 -4.028 7.753 1.00 0.00 O ATOM 964 CB THR A1998 2.813 -2.138 8.521 1.00 0.00 C ATOM 965 OG1 THR A1998 3.734 -1.991 9.584 1.00 0.00 O ATOM 966 CG2 THR A1998 1.680 -1.115 8.675 1.00 0.00 C ATOM 0 H THR A1998 4.455 -3.822 8.111 1.00 0.00 H new ATOM 0 HA THR A1998 1.956 -3.890 9.432 1.00 0.00 H new ATOM 0 HB THR A1998 3.235 -1.909 7.543 1.00 0.00 H new ATOM 0 HG1 THR A1998 4.020 -1.055 9.642 1.00 0.00 H new ATOM 0 HG21 THR A1998 2.099 -0.109 8.695 1.00 0.00 H new ATOM 0 HG22 THR A1998 0.992 -1.205 7.835 1.00 0.00 H new ATOM 0 HG23 THR A1998 1.144 -1.303 9.605 1.00 0.00 H new ATOM 974 N ILE A1999 1.738 -4.167 6.191 1.00 0.00 N ATOM 975 CA ILE A1999 0.824 -4.495 5.110 1.00 0.00 C ATOM 976 C ILE A1999 0.115 -5.826 5.402 1.00 0.00 C ATOM 977 O ILE A1999 -1.094 -5.955 5.207 1.00 0.00 O ATOM 978 CB ILE A1999 1.649 -4.545 3.808 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.913 -3.108 3.317 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.926 -5.373 2.744 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.900 -3.043 2.149 1.00 0.00 C ATOM 0 H ILE A1999 2.718 -4.139 5.908 1.00 0.00 H new ATOM 0 HA ILE A1999 0.040 -3.744 5.010 1.00 0.00 H new ATOM 0 HB ILE A1999 2.606 -5.030 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.969 -2.656 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.299 -2.513 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.524 -5.396 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.782 -6.390 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.044 -4.924 2.530 1.00 0.00 H new ATOM 0 HD11 ILE A1999 3.043 -2.004 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.856 -3.467 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.505 -3.611 1.307 1.00 0.00 H new ATOM 993 N ASN A2000 0.876 -6.845 5.800 1.00 0.00 N ATOM 994 CA ASN A2000 0.359 -8.174 6.093 1.00 0.00 C ATOM 995 C ASN A2000 -0.604 -8.131 7.241 1.00 0.00 C ATOM 996 O ASN A2000 -1.575 -8.868 7.236 1.00 0.00 O ATOM 997 CB ASN A2000 1.459 -9.128 6.577 1.00 0.00 C ATOM 998 CG ASN A2000 2.505 -9.385 5.539 1.00 0.00 C ATOM 999 OD1 ASN A2000 2.179 -9.524 4.372 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.763 -9.457 5.932 1.00 0.00 N ATOM 0 H ASN A2000 1.885 -6.765 5.929 1.00 0.00 H new ATOM 0 HA ASN A2000 -0.096 -8.512 5.162 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.931 -8.709 7.465 1.00 0.00 H new ATOM 0 HB3 ASN A2000 1.007 -10.075 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.501 -9.634 5.250 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.997 -9.335 6.917 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.287 -7.320 8.238 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.111 -7.178 9.421 1.00 0.00 C ATOM 1009 C GLN A2001 -2.433 -6.512 9.021 1.00 0.00 C ATOM 1010 O GLN A2001 -3.501 -6.948 9.458 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.333 -6.448 10.542 1.00 0.00 C ATOM 1012 CG GLN A2001 1.017 -7.119 10.860 1.00 0.00 C ATOM 1013 CD GLN A2001 1.618 -6.777 12.228 1.00 0.00 C ATOM 1014 OE1 GLN A2001 1.275 -5.789 12.880 1.00 0.00 O ATOM 1015 NE2 GLN A2001 2.600 -7.543 12.672 1.00 0.00 N ATOM 0 H GLN A2001 0.553 -6.741 8.246 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.363 -8.150 9.846 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.159 -5.414 10.245 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -0.943 -6.422 11.445 1.00 0.00 H new ATOM 0 HG2 GLN A2001 0.889 -8.200 10.799 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.733 -6.839 10.088 1.00 0.00 H new ATOM 0 HE21 GLN A2001 2.889 -8.362 12.138 1.00 0.00 H new ATOM 0 HE22 GLN A2001 3.068 -7.315 13.549 1.00 0.00 H new ATOM 1024 N THR A2002 -2.391 -5.532 8.113 1.00 0.00 N ATOM 1025 CA THR A2002 -3.562 -4.813 7.667 1.00 0.00 C ATOM 1026 C THR A2002 -4.500 -5.700 6.847 1.00 0.00 C ATOM 1027 O THR A2002 -5.708 -5.631 7.070 1.00 0.00 O ATOM 1028 CB THR A2002 -3.130 -3.568 6.869 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.352 -2.685 7.658 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.303 -2.754 6.328 1.00 0.00 C ATOM 0 H THR A2002 -1.527 -5.221 7.669 1.00 0.00 H new ATOM 0 HA THR A2002 -4.125 -4.496 8.545 1.00 0.00 H new ATOM 0 HB THR A2002 -2.553 -3.970 6.037 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.444 -3.043 7.751 1.00 0.00 H new ATOM 0 HG21 THR A2002 -3.925 -1.893 5.777 1.00 0.00 H new ATOM 0 HG22 THR A2002 -4.901 -3.376 5.663 1.00 0.00 H new ATOM 0 HG23 THR A2002 -4.921 -2.411 7.158 1.00 0.00 H new ATOM 1038 N TYR A2003 -3.986 -6.577 5.971 1.00 0.00 N ATOM 1039 CA TYR A2003 -4.840 -7.420 5.131 1.00 0.00 C ATOM 1040 C TYR A2003 -4.849 -8.901 5.485 1.00 0.00 C ATOM 1041 O TYR A2003 -5.492 -9.687 4.793 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.524 -7.162 3.650 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.669 -5.706 3.301 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.956 -5.149 3.267 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.524 -4.896 3.185 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -6.117 -3.764 3.152 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.679 -3.503 3.058 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.978 -2.937 3.072 1.00 0.00 C ATOM 1049 OH TYR A2003 -5.134 -1.589 3.098 1.00 0.00 O ATOM 0 H TYR A2003 -2.986 -6.718 5.829 1.00 0.00 H new ATOM 0 HA TYR A2003 -5.867 -7.119 5.338 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.508 -7.490 3.431 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.192 -7.755 3.026 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.823 -5.790 3.330 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.539 -5.338 3.193 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -7.106 -3.332 3.125 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.812 -2.868 2.950 1.00 0.00 H new ATOM 0 HH TYR A2003 -4.257 -1.157 3.035 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.176 -9.276 6.571 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.041 -10.631 7.094 1.00 0.00 C ATOM 1061 C ASN A2004 -3.448 -11.569 6.045 1.00 0.00 C ATOM 1062 O ASN A2004 -4.051 -12.563 5.636 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.405 -11.086 7.617 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.349 -12.430 8.332 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.302 -12.877 8.805 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -6.482 -13.085 8.477 1.00 0.00 N ATOM 0 H ASN A2004 -3.679 -8.596 7.145 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.337 -10.651 7.926 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -5.796 -10.333 8.301 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.104 -11.153 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -6.498 -13.970 8.984 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -7.343 -12.708 8.082 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.236 -11.232 5.606 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.469 -11.929 4.574 1.00 0.00 C ATOM 1075 C LEU A2005 -0.094 -12.329 5.084 1.00 0.00 C ATOM 1076 O LEU A2005 0.166 -12.278 6.283 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.268 -10.990 3.366 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.459 -10.106 3.000 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -2.048 -9.176 1.874 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.689 -10.907 2.583 1.00 0.00 C ATOM 0 H LEU A2005 -1.737 -10.424 5.979 1.00 0.00 H new ATOM 0 HA LEU A2005 -2.025 -12.824 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.412 -10.346 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -1.011 -11.597 2.498 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.739 -9.543 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.890 -8.539 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.214 -8.555 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.745 -9.765 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.501 -10.224 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.448 -11.516 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -3.997 -11.554 3.404 1.00 0.00 H new ATOM 1092 N ASN A2006 0.773 -12.768 4.171 1.00 0.00 N ATOM 1093 CA ASN A2006 2.142 -13.147 4.447 1.00 0.00 C ATOM 1094 C ASN A2006 2.963 -12.640 3.273 1.00 0.00 C ATOM 1095 O ASN A2006 2.836 -13.166 2.168 1.00 0.00 O ATOM 1096 CB ASN A2006 2.309 -14.666 4.599 1.00 0.00 C ATOM 1097 CG ASN A2006 3.773 -14.984 4.865 1.00 0.00 C ATOM 1098 OD1 ASN A2006 4.394 -15.818 4.213 1.00 0.00 O ATOM 1099 ND2 ASN A2006 4.370 -14.301 5.816 1.00 0.00 N ATOM 0 H ASN A2006 0.524 -12.870 3.187 1.00 0.00 H new ATOM 0 HA ASN A2006 2.467 -12.716 5.394 1.00 0.00 H new ATOM 0 HB2 ASN A2006 1.690 -15.032 5.418 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.973 -15.173 3.695 1.00 0.00 H new ATOM 0 HD21 ASN A2006 5.357 -14.462 6.017 1.00 0.00 H new ATOM 0 HD22 ASN A2006 3.846 -13.610 6.353 1.00 0.00 H new ATOM 1106 N LEU A2007 3.838 -11.665 3.507 1.00 0.00 N ATOM 1107 CA LEU A2007 4.699 -11.024 2.515 1.00 0.00 C ATOM 1108 C LEU A2007 6.002 -10.619 3.156 1.00 0.00 C ATOM 1109 O LEU A2007 6.070 -10.475 4.381 1.00 0.00 O ATOM 1110 CB LEU A2007 4.063 -9.745 1.983 1.00 0.00 C ATOM 1111 CG LEU A2007 2.671 -9.892 1.345 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.069 -8.505 1.136 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.771 -10.718 0.065 1.00 0.00 C ATOM 0 H LEU A2007 3.973 -11.280 4.442 1.00 0.00 H new ATOM 0 HA LEU A2007 4.851 -11.740 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A2007 3.990 -9.032 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.735 -9.311 1.243 1.00 0.00 H new ATOM 0 HG LEU A2007 1.994 -10.436 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.082 -8.601 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A2007 1.980 -7.998 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.714 -7.924 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.782 -10.818 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.438 -10.220 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.165 -11.707 0.300 1.00 0.00 H new ATOM 1125 N LYS A2008 7.029 -10.415 2.327 1.00 0.00 N ATOM 1126 CA LYS A2008 8.350 -10.040 2.836 1.00 0.00 C ATOM 1127 C LYS A2008 9.000 -8.953 2.018 1.00 0.00 C ATOM 1128 O LYS A2008 8.410 -8.497 1.044 1.00 0.00 O ATOM 1129 CB LYS A2008 9.207 -11.290 3.024 1.00 0.00 C ATOM 1130 CG LYS A2008 9.483 -12.074 1.742 1.00 0.00 C ATOM 1131 CD LYS A2008 10.949 -12.201 1.355 1.00 0.00 C ATOM 1132 CE LYS A2008 11.773 -12.862 2.450 1.00 0.00 C ATOM 1133 NZ LYS A2008 12.983 -13.484 1.885 1.00 0.00 N ATOM 0 H LYS A2008 6.973 -10.502 1.312 1.00 0.00 H new ATOM 0 HA LYS A2008 8.234 -9.586 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A2008 10.159 -10.998 3.467 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.712 -11.949 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.066 -13.075 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A2008 8.949 -11.595 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.032 -12.783 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.355 -11.212 1.143 1.00 0.00 H new ATOM 0 HE2 LYS A2008 12.054 -12.121 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.173 -13.617 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.532 -13.930 2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 12.709 -14.206 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.563 -12.756 1.420 1.00 0.00 H new ATOM 1147 N ALA A2009 10.242 -8.593 2.363 1.00 0.00 N ATOM 1148 CA ALA A2009 10.994 -7.546 1.684 1.00 0.00 C ATOM 1149 C ALA A2009 11.063 -7.736 0.163 1.00 0.00 C ATOM 1150 O ALA A2009 11.190 -6.758 -0.569 1.00 0.00 O ATOM 1151 CB ALA A2009 12.364 -7.369 2.332 1.00 0.00 C ATOM 0 H ALA A2009 10.753 -9.029 3.130 1.00 0.00 H new ATOM 0 HA ALA A2009 10.446 -6.613 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A2009 12.913 -6.583 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.238 -7.093 3.379 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.921 -8.304 2.267 1.00 0.00 H new ATOM 1157 N THR A2010 10.922 -8.974 -0.327 1.00 0.00 N ATOM 1158 CA THR A2010 10.920 -9.280 -1.750 1.00 0.00 C ATOM 1159 C THR A2010 9.791 -8.472 -2.411 1.00 0.00 C ATOM 1160 O THR A2010 9.940 -8.060 -3.550 1.00 0.00 O ATOM 1161 CB THR A2010 10.772 -10.805 -1.936 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.238 -11.276 -3.176 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.329 -11.294 -1.781 1.00 0.00 C ATOM 0 H THR A2010 10.805 -9.796 0.266 1.00 0.00 H new ATOM 0 HA THR A2010 11.855 -8.995 -2.232 1.00 0.00 H new ATOM 0 HB THR A2010 11.395 -11.209 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A2010 11.115 -12.247 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.294 -12.374 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A2010 8.967 -11.047 -0.783 1.00 0.00 H new ATOM 0 HG23 THR A2010 8.698 -10.809 -2.526 1.00 0.00 H new ATOM 1171 N LYS A2011 8.678 -8.196 -1.710 1.00 0.00 N ATOM 1172 CA LYS A2011 7.572 -7.416 -2.261 1.00 0.00 C ATOM 1173 C LYS A2011 8.019 -6.031 -2.653 1.00 0.00 C ATOM 1174 O LYS A2011 7.714 -5.577 -3.747 1.00 0.00 O ATOM 1175 CB LYS A2011 6.469 -7.203 -1.231 1.00 0.00 C ATOM 1176 CG LYS A2011 5.631 -8.409 -0.933 1.00 0.00 C ATOM 1177 CD LYS A2011 4.992 -8.961 -2.186 1.00 0.00 C ATOM 1178 CE LYS A2011 5.776 -10.153 -2.690 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.700 -11.397 -1.905 1.00 0.00 N ATOM 0 H LYS A2011 8.526 -8.508 -0.751 1.00 0.00 H new ATOM 0 HA LYS A2011 7.215 -7.984 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.923 -6.858 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.816 -6.404 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.249 -9.178 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.856 -8.146 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A2011 3.963 -9.254 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A2011 4.955 -8.189 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A2011 5.439 -10.373 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A2011 6.824 -9.862 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 6.594 -11.920 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 5.534 -11.167 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 4.918 -11.984 -2.260 1.00 0.00 H new ATOM 1193 N LEU A2012 8.723 -5.366 -1.742 1.00 0.00 N ATOM 1194 CA LEU A2012 9.225 -4.017 -1.976 1.00 0.00 C ATOM 1195 C LEU A2012 10.146 -4.028 -3.200 1.00 0.00 C ATOM 1196 O LEU A2012 10.242 -3.021 -3.899 1.00 0.00 O ATOM 1197 CB LEU A2012 9.912 -3.485 -0.697 1.00 0.00 C ATOM 1198 CG LEU A2012 8.959 -2.776 0.295 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.554 -1.412 -0.287 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.729 -3.640 0.641 1.00 0.00 C ATOM 0 H LEU A2012 8.960 -5.745 -0.825 1.00 0.00 H new ATOM 0 HA LEU A2012 8.407 -3.331 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.394 -4.318 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.700 -2.789 -0.985 1.00 0.00 H new ATOM 0 HG LEU A2012 9.486 -2.621 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.882 -0.906 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.445 -0.803 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.048 -1.559 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.090 -3.100 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.169 -3.857 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.057 -4.574 1.097 1.00 0.00 H new ATOM 1212 N TYR A2013 10.801 -5.159 -3.474 1.00 0.00 N ATOM 1213 CA TYR A2013 11.688 -5.326 -4.606 1.00 0.00 C ATOM 1214 C TYR A2013 10.933 -5.706 -5.882 1.00 0.00 C ATOM 1215 O TYR A2013 11.398 -5.353 -6.966 1.00 0.00 O ATOM 1216 CB TYR A2013 12.713 -6.424 -4.272 1.00 0.00 C ATOM 1217 CG TYR A2013 13.964 -6.398 -5.126 1.00 0.00 C ATOM 1218 CD1 TYR A2013 15.055 -5.629 -4.692 1.00 0.00 C ATOM 1219 CD2 TYR A2013 14.052 -7.121 -6.335 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.228 -5.568 -5.457 1.00 0.00 C ATOM 1221 CE2 TYR A2013 15.227 -7.058 -7.110 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.318 -6.263 -6.678 1.00 0.00 C ATOM 1223 OH TYR A2013 17.456 -6.144 -7.415 1.00 0.00 O ATOM 0 H TYR A2013 10.721 -5.996 -2.897 1.00 0.00 H new ATOM 0 HA TYR A2013 12.183 -4.373 -4.792 1.00 0.00 H new ATOM 0 HB2 TYR A2013 13.001 -6.328 -3.225 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.233 -7.397 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.990 -5.081 -3.763 1.00 0.00 H new ATOM 0 HD2 TYR A2013 13.218 -7.723 -6.666 1.00 0.00 H new ATOM 0 HE1 TYR A2013 17.067 -4.985 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A2013 15.296 -7.615 -8.033 1.00 0.00 H new ATOM 0 HH TYR A2013 17.375 -6.680 -8.231 1.00 0.00 H new ATOM 1233 N ASP A2014 9.804 -6.414 -5.786 1.00 0.00 N ATOM 1234 CA ASP A2014 9.043 -6.846 -6.954 1.00 0.00 C ATOM 1235 C ASP A2014 8.060 -5.785 -7.435 1.00 0.00 C ATOM 1236 O ASP A2014 7.795 -5.679 -8.631 1.00 0.00 O ATOM 1237 CB ASP A2014 8.283 -8.137 -6.593 1.00 0.00 C ATOM 1238 CG ASP A2014 8.214 -9.124 -7.758 1.00 0.00 C ATOM 1239 OD1 ASP A2014 8.118 -8.727 -8.935 1.00 0.00 O ATOM 1240 OD2 ASP A2014 8.313 -10.349 -7.497 1.00 0.00 O ATOM 0 H ASP A2014 9.395 -6.702 -4.897 1.00 0.00 H new ATOM 0 HA ASP A2014 9.743 -7.021 -7.771 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.771 -8.616 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.271 -7.882 -6.277 1.00 0.00 H new ATOM 1245 N TYR A2015 7.563 -4.963 -6.508 1.00 0.00 N ATOM 1246 CA TYR A2015 6.587 -3.913 -6.759 1.00 0.00 C ATOM 1247 C TYR A2015 6.990 -2.652 -5.971 1.00 0.00 C ATOM 1248 O TYR A2015 6.490 -2.415 -4.871 1.00 0.00 O ATOM 1249 CB TYR A2015 5.184 -4.430 -6.388 1.00 0.00 C ATOM 1250 CG TYR A2015 4.881 -5.888 -6.691 1.00 0.00 C ATOM 1251 CD1 TYR A2015 4.803 -6.347 -8.017 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.704 -6.799 -5.633 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.550 -7.701 -8.292 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.469 -8.158 -5.902 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.391 -8.617 -7.231 1.00 0.00 C ATOM 1256 OH TYR A2015 4.177 -9.939 -7.471 1.00 0.00 O ATOM 0 H TYR A2015 7.842 -5.016 -5.528 1.00 0.00 H new ATOM 0 HA TYR A2015 6.562 -3.641 -7.814 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.035 -4.268 -5.320 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.449 -3.816 -6.909 1.00 0.00 H new ATOM 0 HD1 TYR A2015 4.939 -5.652 -8.832 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.749 -6.452 -4.611 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.477 -8.040 -9.315 1.00 0.00 H new ATOM 0 HE2 TYR A2015 4.348 -8.854 -5.085 1.00 0.00 H new ATOM 0 HH TYR A2015 3.309 -10.203 -7.100 1.00 0.00 H new ATOM 1266 N PRO A2016 7.899 -1.820 -6.500 1.00 0.00 N ATOM 1267 CA PRO A2016 8.362 -0.596 -5.843 1.00 0.00 C ATOM 1268 C PRO A2016 7.344 0.555 -5.873 1.00 0.00 C ATOM 1269 O PRO A2016 7.675 1.620 -5.358 1.00 0.00 O ATOM 1270 CB PRO A2016 9.643 -0.230 -6.592 1.00 0.00 C ATOM 1271 CG PRO A2016 9.330 -0.694 -8.013 1.00 0.00 C ATOM 1272 CD PRO A2016 8.572 -1.994 -7.779 1.00 0.00 C ATOM 0 HA PRO A2016 8.518 -0.766 -4.778 1.00 0.00 H new ATOM 0 HB2 PRO A2016 9.848 0.840 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.515 -0.739 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A2016 8.727 0.035 -8.554 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.237 -0.853 -8.596 1.00 0.00 H new ATOM 0 HD2 PRO A2016 7.855 -2.181 -8.579 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.251 -2.846 -7.754 1.00 0.00 H new ATOM 1280 N THR A2017 6.155 0.402 -6.468 1.00 0.00 N ATOM 1281 CA THR A2017 5.123 1.439 -6.518 1.00 0.00 C ATOM 1282 C THR A2017 3.819 0.832 -6.000 1.00 0.00 C ATOM 1283 O THR A2017 3.612 -0.382 -6.036 1.00 0.00 O ATOM 1284 CB THR A2017 4.973 2.049 -7.918 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.247 1.219 -8.789 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.280 2.329 -8.654 1.00 0.00 C ATOM 0 H THR A2017 5.880 -0.462 -6.936 1.00 0.00 H new ATOM 0 HA THR A2017 5.413 2.275 -5.881 1.00 0.00 H new ATOM 0 HB THR A2017 4.463 2.987 -7.697 1.00 0.00 H new ATOM 0 HG1 THR A2017 4.865 0.630 -9.270 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.062 2.758 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A2017 6.880 3.031 -8.075 1.00 0.00 H new ATOM 0 HG23 THR A2017 6.832 1.398 -8.781 1.00 0.00 H new ATOM 1294 N LEU A2018 2.910 1.669 -5.505 1.00 0.00 N ATOM 1295 CA LEU A2018 1.616 1.260 -4.947 1.00 0.00 C ATOM 1296 C LEU A2018 0.737 0.611 -5.993 1.00 0.00 C ATOM 1297 O LEU A2018 -0.042 -0.266 -5.638 1.00 0.00 O ATOM 1298 CB LEU A2018 0.837 2.487 -4.453 1.00 0.00 C ATOM 1299 CG LEU A2018 1.659 3.386 -3.539 1.00 0.00 C ATOM 1300 CD1 LEU A2018 0.975 4.716 -3.336 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.828 2.705 -2.187 1.00 0.00 C ATOM 0 H LEU A2018 3.054 2.678 -5.479 1.00 0.00 H new ATOM 0 HA LEU A2018 1.838 0.562 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.498 3.065 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A2018 -0.054 2.154 -3.921 1.00 0.00 H new ATOM 0 HG LEU A2018 2.630 3.558 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.581 5.340 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A2018 0.853 5.213 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A2018 -0.003 4.557 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.416 3.344 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.848 2.530 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.341 1.753 -2.321 1.00 0.00 H new ATOM 1313 N LEU A2019 0.836 1.051 -7.249 1.00 0.00 N ATOM 1314 CA LEU A2019 0.024 0.518 -8.332 1.00 0.00 C ATOM 1315 C LEU A2019 0.169 -1.002 -8.417 1.00 0.00 C ATOM 1316 O LEU A2019 -0.821 -1.725 -8.301 1.00 0.00 O ATOM 1317 CB LEU A2019 0.403 1.219 -9.650 1.00 0.00 C ATOM 1318 CG LEU A2019 -0.174 2.635 -9.781 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.515 3.371 -10.929 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.691 2.675 -9.977 1.00 0.00 C ATOM 0 H LEU A2019 1.482 1.786 -7.538 1.00 0.00 H new ATOM 0 HA LEU A2019 -1.029 0.720 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.489 1.270 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.053 0.614 -10.487 1.00 0.00 H new ATOM 0 HG LEU A2019 0.023 3.131 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.101 4.376 -11.017 1.00 0.00 H new ATOM 0 HD12 LEU A2019 1.585 3.435 -10.730 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.351 2.828 -11.860 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -2.020 3.711 -10.061 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.955 2.136 -10.887 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -2.181 2.207 -9.123 1.00 0.00 H new ATOM 1332 N GLU A2020 1.400 -1.479 -8.551 1.00 0.00 N ATOM 1333 CA GLU A2020 1.763 -2.888 -8.649 1.00 0.00 C ATOM 1334 C GLU A2020 1.673 -3.579 -7.285 1.00 0.00 C ATOM 1335 O GLU A2020 1.166 -4.703 -7.205 1.00 0.00 O ATOM 1336 CB GLU A2020 3.120 -3.061 -9.363 1.00 0.00 C ATOM 1337 CG GLU A2020 4.099 -1.915 -9.075 1.00 0.00 C ATOM 1338 CD GLU A2020 5.407 -1.918 -9.847 1.00 0.00 C ATOM 1339 OE1 GLU A2020 5.787 -2.967 -10.407 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.029 -0.831 -9.904 1.00 0.00 O ATOM 0 H GLU A2020 2.212 -0.864 -8.597 1.00 0.00 H new ATOM 0 HA GLU A2020 1.036 -3.401 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.571 -4.003 -9.052 1.00 0.00 H new ATOM 0 HB3 GLU A2020 2.953 -3.127 -10.438 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.588 -0.974 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.333 -1.928 -8.011 1.00 0.00 H new ATOM 1347 N LEU A2021 2.090 -2.903 -6.202 1.00 0.00 N ATOM 1348 CA LEU A2021 2.048 -3.453 -4.846 1.00 0.00 C ATOM 1349 C LEU A2021 0.614 -3.857 -4.530 1.00 0.00 C ATOM 1350 O LEU A2021 0.368 -4.996 -4.138 1.00 0.00 O ATOM 1351 CB LEU A2021 2.556 -2.444 -3.810 1.00 0.00 C ATOM 1352 CG LEU A2021 2.974 -3.136 -2.494 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.468 -3.438 -2.502 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.719 -2.223 -1.304 1.00 0.00 C ATOM 0 H LEU A2021 2.466 -1.956 -6.247 1.00 0.00 H new ATOM 0 HA LEU A2021 2.705 -4.321 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.406 -1.899 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.776 -1.711 -3.604 1.00 0.00 H new ATOM 0 HG LEU A2021 2.390 -4.053 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.746 -3.925 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.702 -4.097 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.027 -2.508 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.020 -2.729 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.296 -1.306 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.658 -1.980 -1.253 1.00 0.00 H new ATOM 1366 N SER A2022 -0.318 -2.916 -4.695 1.00 0.00 N ATOM 1367 CA SER A2022 -1.730 -3.115 -4.452 1.00 0.00 C ATOM 1368 C SER A2022 -2.288 -4.146 -5.437 1.00 0.00 C ATOM 1369 O SER A2022 -3.166 -4.930 -5.077 1.00 0.00 O ATOM 1370 CB SER A2022 -2.468 -1.773 -4.592 1.00 0.00 C ATOM 1371 OG SER A2022 -3.646 -1.748 -3.813 1.00 0.00 O ATOM 0 H SER A2022 -0.095 -1.972 -5.010 1.00 0.00 H new ATOM 0 HA SER A2022 -1.878 -3.493 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A2022 -1.810 -0.960 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.719 -1.602 -5.639 1.00 0.00 H new ATOM 0 HG SER A2022 -4.397 -1.447 -4.366 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.782 -4.169 -6.667 1.00 0.00 N ATOM 1378 CA GLY A2023 -2.216 -5.096 -7.697 1.00 0.00 C ATOM 1379 C GLY A2023 -2.084 -6.508 -7.157 1.00 0.00 C ATOM 1380 O GLY A2023 -3.026 -7.298 -7.243 1.00 0.00 O ATOM 0 H GLY A2023 -1.048 -3.532 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.249 -4.893 -7.979 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.611 -4.975 -8.595 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.937 -6.798 -6.544 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.649 -8.090 -5.963 1.00 0.00 C ATOM 1386 C TYR A2024 -1.476 -8.328 -4.700 1.00 0.00 C ATOM 1387 O TYR A2024 -2.225 -9.293 -4.654 1.00 0.00 O ATOM 1388 CB TYR A2024 0.858 -8.215 -5.687 1.00 0.00 C ATOM 1389 CG TYR A2024 1.302 -9.612 -5.290 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.971 -10.703 -6.117 1.00 0.00 C ATOM 1391 CD2 TYR A2024 2.052 -9.834 -4.117 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.432 -11.993 -5.813 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.469 -11.133 -3.784 1.00 0.00 C ATOM 1394 CZ TYR A2024 2.179 -12.216 -4.636 1.00 0.00 C ATOM 1395 OH TYR A2024 2.551 -13.471 -4.259 1.00 0.00 O ATOM 0 H TYR A2024 -0.177 -6.126 -6.440 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.932 -8.865 -6.676 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.406 -7.911 -6.579 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.130 -7.520 -4.893 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.358 -10.545 -6.992 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.306 -9.004 -3.474 1.00 0.00 H new ATOM 0 HE1 TYR A2024 1.215 -12.815 -6.479 1.00 0.00 H new ATOM 0 HE2 TYR A2024 3.016 -11.303 -2.868 1.00 0.00 H new ATOM 0 HH TYR A2024 3.060 -13.424 -3.423 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.402 -7.453 -3.692 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.128 -7.592 -2.420 1.00 0.00 C ATOM 1407 C ILE A2025 -3.610 -7.881 -2.605 1.00 0.00 C ATOM 1408 O ILE A2025 -4.118 -8.810 -1.985 1.00 0.00 O ATOM 1409 CB ILE A2025 -1.923 -6.339 -1.550 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.437 -6.190 -1.187 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.805 -6.329 -0.282 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.173 -4.944 -0.348 1.00 0.00 C ATOM 0 H ILE A2025 -0.826 -6.612 -3.735 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.708 -8.460 -1.912 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.240 -5.481 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.108 -7.072 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.156 -6.144 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.613 -5.420 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -3.856 -6.362 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.569 -7.198 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.890 -4.880 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.476 -4.058 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -0.744 -5.002 0.579 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.293 -7.104 -3.449 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.717 -7.247 -3.707 1.00 0.00 C ATOM 1426 C ALA A2026 -6.044 -8.666 -4.175 1.00 0.00 C ATOM 1427 O ALA A2026 -7.152 -9.150 -3.971 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.129 -6.187 -4.732 1.00 0.00 C ATOM 0 H ALA A2026 -3.860 -6.347 -3.978 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.287 -7.090 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.195 -6.277 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.920 -5.194 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.566 -6.334 -5.654 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.107 -9.296 -4.879 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.241 -10.665 -5.375 1.00 0.00 C ATOM 1436 C GLN A2027 -5.003 -11.678 -4.250 1.00 0.00 C ATOM 1437 O GLN A2027 -5.620 -12.738 -4.253 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.285 -10.946 -6.539 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.569 -10.072 -7.763 1.00 0.00 C ATOM 1440 CD GLN A2027 -3.425 -10.037 -8.772 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -2.430 -10.756 -8.657 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -3.530 -9.165 -9.763 1.00 0.00 N ATOM 0 H GLN A2027 -4.217 -8.863 -5.126 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.262 -10.773 -5.743 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.259 -10.780 -6.209 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.363 -11.996 -6.822 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -5.468 -10.438 -8.259 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -4.780 -9.055 -7.431 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -4.361 -8.579 -9.841 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -2.780 -9.079 -10.449 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.120 -11.378 -3.290 1.00 0.00 N ATOM 1452 CA ILE A2028 -3.814 -12.270 -2.172 1.00 0.00 C ATOM 1453 C ILE A2028 -5.040 -12.328 -1.282 1.00 0.00 C ATOM 1454 O ILE A2028 -5.521 -13.417 -0.988 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.592 -11.813 -1.346 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.379 -11.539 -2.239 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.203 -12.878 -0.306 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.243 -10.872 -1.471 1.00 0.00 C ATOM 0 H ILE A2028 -3.596 -10.503 -3.270 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.558 -13.250 -2.576 1.00 0.00 H new ATOM 0 HB ILE A2028 -2.881 -10.891 -0.842 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.025 -12.477 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.678 -10.901 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.340 -12.533 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.040 -13.048 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -1.953 -13.809 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.597 -10.696 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.588 -9.921 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A2028 0.075 -11.521 -0.655 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.560 -11.185 -0.830 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.751 -11.208 0.015 1.00 0.00 C ATOM 1472 C LEU A2029 -7.931 -11.785 -0.745 1.00 0.00 C ATOM 1473 O LEU A2029 -8.763 -12.455 -0.142 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.037 -9.875 0.684 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.137 -8.654 -0.227 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.527 -8.508 -0.844 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.753 -7.432 0.597 1.00 0.00 C ATOM 0 H LEU A2029 -5.186 -10.257 -1.029 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.554 -11.879 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -7.973 -9.965 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.253 -9.688 1.418 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.456 -8.767 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.550 -7.626 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.756 -9.393 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.267 -8.401 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.814 -6.539 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.436 -7.333 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.734 -7.548 0.966 1.00 0.00 H new ATOM 1489 N SER A2030 -7.960 -11.612 -2.067 1.00 0.00 N ATOM 1490 CA SER A2030 -9.051 -12.184 -2.852 1.00 0.00 C ATOM 1491 C SER A2030 -8.922 -13.713 -2.781 1.00 0.00 C ATOM 1492 O SER A2030 -9.909 -14.432 -2.845 1.00 0.00 O ATOM 1493 CB SER A2030 -8.988 -11.687 -4.305 1.00 0.00 C ATOM 1494 OG SER A2030 -10.025 -12.185 -5.128 1.00 0.00 O ATOM 0 H SER A2030 -7.262 -11.096 -2.603 1.00 0.00 H new ATOM 0 HA SER A2030 -10.016 -11.874 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A2030 -9.027 -10.598 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A2030 -8.028 -11.973 -4.735 1.00 0.00 H new ATOM 0 HG SER A2030 -9.923 -11.827 -6.035 1.00 0.00 H new ATOM 1500 N SER A2031 -7.696 -14.226 -2.676 1.00 0.00 N ATOM 1501 CA SER A2031 -7.395 -15.650 -2.616 1.00 0.00 C ATOM 1502 C SER A2031 -7.631 -16.156 -1.195 1.00 0.00 C ATOM 1503 O SER A2031 -7.690 -17.366 -0.960 1.00 0.00 O ATOM 1504 CB SER A2031 -5.948 -15.848 -3.093 1.00 0.00 C ATOM 1505 OG SER A2031 -5.572 -17.200 -3.267 1.00 0.00 O ATOM 0 H SER A2031 -6.862 -13.641 -2.629 1.00 0.00 H new ATOM 0 HA SER A2031 -8.048 -16.232 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A2031 -5.814 -15.321 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.274 -15.386 -2.372 1.00 0.00 H new ATOM 0 HG SER A2031 -4.642 -17.244 -3.572 1.00 0.00 H new