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= -0.193 X(o=1.2,f=1.2) USER MOD Set 1.2: A2002 THR OG1 : rot 77:sc= 1.4 USER MOD Single : A1955 SER OG : rot 35:sc= 0.241 USER MOD Single : A1958 LYS NZ :NH3+ -166:sc= 0.999 (180deg=0.821) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1962 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.15) USER MOD Single : A1963 GLN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 173:sc= 1.5 USER MOD Single : A1974 SER OG : rot -147:sc= 0.64 USER MOD Single : A1980 GLN : amide:sc= 0.0274 K(o=0.027,f=-6.8!) USER MOD Single : A1981 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1989 SER OG : rot 180:sc= 0 USER MOD Single : A1996 THR OG1 : rot -130:sc= 0 USER MOD Single : A1997 THR OG1 : rot 73:sc= 0.569 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0.00759 USER MOD Single : A2000 ASN : amide:sc= -0.204 K(o=-0.2,f=-7.7!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2003 TYR OH : rot 172:sc= 0 USER MOD Single : A2004 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.6) USER MOD Single : A2006 ASN : amide:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= 0 USER MOD Single : A2011 LYS NZ :NH3+ 166:sc= -0.037 (180deg=-0.152) USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2015 TYR OH : rot -133:sc= 0.314 USER MOD Single : A2017 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A2022 SER OG : rot -130:sc= -0.14 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 X(o=0,f=0) 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 -0.383 -6.146 1.00 0.00 N ATOM 286 CA SER A1955 -8.151 1.042 -5.979 1.00 0.00 C ATOM 287 C SER A1955 -8.055 1.401 -4.495 1.00 0.00 C ATOM 288 O SER A1955 -7.232 2.245 -4.150 1.00 0.00 O ATOM 289 CB SER A1955 -9.319 1.768 -6.639 1.00 0.00 C ATOM 290 OG SER A1955 -9.534 1.309 -7.963 1.00 0.00 O ATOM 0 HA SER A1955 -7.218 1.349 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A1955 -10.223 1.617 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A1955 -9.122 2.840 -6.652 1.00 0.00 H new ATOM 0 HG SER A1955 -9.337 0.350 -8.013 1.00 0.00 H new ATOM 296 N GLU A1956 -8.881 0.777 -3.641 1.00 0.00 N ATOM 297 CA GLU A1956 -8.900 1.014 -2.197 1.00 0.00 C ATOM 298 C GLU A1956 -7.542 0.650 -1.607 1.00 0.00 C ATOM 299 O GLU A1956 -6.971 1.446 -0.865 1.00 0.00 O ATOM 300 CB GLU A1956 -10.010 0.205 -1.511 1.00 0.00 C ATOM 301 CG GLU A1956 -11.413 0.630 -1.969 1.00 0.00 C ATOM 302 CD GLU A1956 -12.002 1.866 -1.271 1.00 0.00 C ATOM 303 OE1 GLU A1956 -11.353 2.492 -0.403 1.00 0.00 O ATOM 304 OE2 GLU A1956 -13.149 2.228 -1.626 1.00 0.00 O ATOM 0 H GLU A1956 -9.564 0.083 -3.944 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.106 2.070 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.867 -0.855 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -9.931 0.328 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.381 0.823 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -12.093 -0.208 -1.816 1.00 0.00 H new ATOM 311 N ILE A1957 -6.985 -0.509 -1.971 1.00 0.00 N ATOM 312 CA ILE A1957 -5.688 -0.911 -1.449 1.00 0.00 C ATOM 313 C ILE A1957 -4.665 0.114 -1.906 1.00 0.00 C ATOM 314 O ILE A1957 -3.935 0.665 -1.093 1.00 0.00 O ATOM 315 CB ILE A1957 -5.323 -2.305 -1.974 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.324 -3.356 -1.477 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.879 -2.721 -1.618 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.406 -4.483 -2.506 1.00 0.00 C ATOM 0 H ILE A1957 -7.410 -1.174 -2.617 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.710 -0.957 -0.360 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.377 -2.250 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -6.009 -3.750 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.305 -2.904 -1.333 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.678 -3.716 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.178 -2.008 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.760 -2.733 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.115 -5.237 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.739 -4.079 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.423 -4.938 -2.627 1.00 0.00 H new ATOM 330 N LYS A1958 -4.632 0.420 -3.203 1.00 0.00 N ATOM 331 CA LYS A1958 -3.674 1.358 -3.760 1.00 0.00 C ATOM 332 C LYS A1958 -3.679 2.695 -3.022 1.00 0.00 C ATOM 333 O LYS A1958 -2.604 3.217 -2.711 1.00 0.00 O ATOM 334 CB LYS A1958 -3.945 1.528 -5.256 1.00 0.00 C ATOM 335 CG LYS A1958 -2.980 2.522 -5.922 1.00 0.00 C ATOM 336 CD LYS A1958 -3.184 2.606 -7.434 1.00 0.00 C ATOM 337 CE LYS A1958 -4.599 3.052 -7.811 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.747 4.513 -7.905 1.00 0.00 N ATOM 0 H LYS A1958 -5.271 0.022 -3.892 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.671 0.952 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -3.861 0.560 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -4.970 1.871 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -3.120 3.510 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -1.953 2.223 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.462 3.305 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -2.983 1.632 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -4.870 2.605 -8.767 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -5.302 2.670 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.757 4.759 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -4.299 4.961 -7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -4.289 4.853 -8.775 1.00 0.00 H new ATOM 352 N GLN A1959 -4.859 3.275 -2.783 1.00 0.00 N ATOM 353 CA GLN A1959 -4.922 4.552 -2.090 1.00 0.00 C ATOM 354 C GLN A1959 -4.457 4.393 -0.628 1.00 0.00 C ATOM 355 O GLN A1959 -3.725 5.254 -0.141 1.00 0.00 O ATOM 356 CB GLN A1959 -6.306 5.231 -2.218 1.00 0.00 C ATOM 357 CG GLN A1959 -7.471 4.435 -1.619 1.00 0.00 C ATOM 358 CD GLN A1959 -8.859 5.010 -1.902 1.00 0.00 C ATOM 359 OE1 GLN A1959 -9.371 4.958 -3.019 1.00 0.00 O ATOM 360 NE2 GLN A1959 -9.521 5.523 -0.883 1.00 0.00 N ATOM 0 H GLN A1959 -5.762 2.886 -3.055 1.00 0.00 H new ATOM 0 HA GLN A1959 -4.229 5.236 -2.580 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -6.263 6.206 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.511 5.409 -3.274 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.431 3.416 -2.004 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -7.333 4.374 -0.540 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -9.087 5.561 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -10.467 5.881 -1.017 1.00 0.00 H new ATOM 369 N VAL A1960 -4.829 3.303 0.061 1.00 0.00 N ATOM 370 CA VAL A1960 -4.451 3.054 1.453 1.00 0.00 C ATOM 371 C VAL A1960 -2.945 2.897 1.552 1.00 0.00 C ATOM 372 O VAL A1960 -2.319 3.532 2.399 1.00 0.00 O ATOM 373 CB VAL A1960 -5.167 1.800 2.000 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.551 1.315 3.323 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.645 2.092 2.245 1.00 0.00 C ATOM 0 H VAL A1960 -5.407 2.565 -0.341 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.760 3.905 2.060 1.00 0.00 H new ATOM 0 HB VAL A1960 -5.049 1.022 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -5.086 0.431 3.671 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.502 1.066 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.628 2.104 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -7.134 1.197 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.741 2.899 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -7.117 2.389 1.309 1.00 0.00 H new ATOM 385 N LEU A1961 -2.355 2.071 0.681 1.00 0.00 N ATOM 386 CA LEU A1961 -0.931 1.811 0.652 1.00 0.00 C ATOM 387 C LEU A1961 -0.184 3.131 0.663 1.00 0.00 C ATOM 388 O LEU A1961 0.753 3.284 1.438 1.00 0.00 O ATOM 389 CB LEU A1961 -0.506 1.076 -0.623 1.00 0.00 C ATOM 390 CG LEU A1961 -0.852 -0.398 -0.777 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.325 -0.865 -2.136 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.310 -1.232 0.386 1.00 0.00 C ATOM 0 H LEU A1961 -2.874 1.560 -0.033 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.700 1.195 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.943 1.606 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.576 1.171 -0.712 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.933 -0.536 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.559 -1.921 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.795 -0.282 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.755 -0.725 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.578 -2.278 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.775 -1.137 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.741 -0.875 1.321 1.00 0.00 H new ATOM 404 N LYS A1962 -0.594 4.070 -0.194 1.00 0.00 N ATOM 405 CA LYS A1962 0.029 5.371 -0.301 1.00 0.00 C ATOM 406 C LYS A1962 0.104 6.034 1.063 1.00 0.00 C ATOM 407 O LYS A1962 1.173 6.474 1.469 1.00 0.00 O ATOM 408 CB LYS A1962 -0.757 6.235 -1.293 1.00 0.00 C ATOM 409 CG LYS A1962 0.126 7.386 -1.769 1.00 0.00 C ATOM 410 CD LYS A1962 -0.610 8.347 -2.694 1.00 0.00 C ATOM 411 CE LYS A1962 -0.909 7.729 -4.050 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.301 7.250 -4.202 1.00 0.00 N ATOM 0 H LYS A1962 -1.376 3.937 -0.835 1.00 0.00 H new ATOM 0 HA LYS A1962 1.048 5.256 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -1.078 5.633 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.658 6.625 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.499 7.934 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A1962 0.995 6.981 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.544 8.656 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A1962 -0.010 9.246 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.703 8.466 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.229 6.893 -4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.396 6.738 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.537 6.613 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.950 8.062 -4.196 1.00 0.00 H new ATOM 426 N GLN A1963 -1.027 6.091 1.756 1.00 0.00 N ATOM 427 CA GLN A1963 -1.156 6.704 3.057 1.00 0.00 C ATOM 428 C GLN A1963 -0.307 6.012 4.122 1.00 0.00 C ATOM 429 O GLN A1963 0.268 6.668 4.985 1.00 0.00 O ATOM 430 CB GLN A1963 -2.666 6.787 3.374 1.00 0.00 C ATOM 431 CG GLN A1963 -3.152 6.117 4.661 1.00 0.00 C ATOM 432 CD GLN A1963 -4.659 6.268 4.875 1.00 0.00 C ATOM 433 OE1 GLN A1963 -5.373 5.295 5.126 1.00 0.00 O ATOM 434 NE2 GLN A1963 -5.194 7.477 4.827 1.00 0.00 N ATOM 0 H GLN A1963 -1.902 5.697 1.411 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.748 7.715 3.055 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.944 7.840 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -3.210 6.347 2.539 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.898 5.057 4.632 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.624 6.548 5.511 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -4.608 8.286 4.620 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -6.192 7.600 4.997 1.00 0.00 H new ATOM 443 N GLN A1964 -0.199 4.689 4.077 1.00 0.00 N ATOM 444 CA GLN A1964 0.560 3.928 5.052 1.00 0.00 C ATOM 445 C GLN A1964 2.050 4.157 4.834 1.00 0.00 C ATOM 446 O GLN A1964 2.824 4.291 5.779 1.00 0.00 O ATOM 447 CB GLN A1964 0.173 2.450 4.934 1.00 0.00 C ATOM 448 CG GLN A1964 -1.345 2.227 5.116 1.00 0.00 C ATOM 449 CD GLN A1964 -1.711 1.244 6.219 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.195 1.298 7.325 1.00 0.00 O ATOM 451 NE2 GLN A1964 -2.591 0.303 5.933 1.00 0.00 N ATOM 0 H GLN A1964 -0.639 4.115 3.358 1.00 0.00 H new ATOM 0 HA GLN A1964 0.330 4.257 6.065 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.479 2.073 3.958 1.00 0.00 H new ATOM 0 HB3 GLN A1964 0.715 1.873 5.683 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.817 3.186 5.330 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.762 1.869 4.175 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -3.016 0.267 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -2.846 -0.388 6.639 1.00 0.00 H new ATOM 460 N LEU A1965 2.469 4.167 3.573 1.00 0.00 N ATOM 461 CA LEU A1965 3.864 4.376 3.216 1.00 0.00 C ATOM 462 C LEU A1965 4.256 5.831 3.476 1.00 0.00 C ATOM 463 O LEU A1965 5.403 6.089 3.819 1.00 0.00 O ATOM 464 CB LEU A1965 4.103 3.891 1.769 1.00 0.00 C ATOM 465 CG LEU A1965 4.589 4.956 0.783 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.117 5.054 0.824 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.173 4.613 -0.636 1.00 0.00 C ATOM 0 H LEU A1965 1.851 4.031 2.773 1.00 0.00 H new ATOM 0 HA LEU A1965 4.525 3.780 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A1965 4.835 3.083 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.173 3.468 1.389 1.00 0.00 H new ATOM 0 HG LEU A1965 4.140 5.905 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.452 5.815 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.437 5.326 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.551 4.092 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.531 5.385 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.603 3.652 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.086 4.555 -0.692 1.00 0.00 H new ATOM 479 N ALA A1966 3.310 6.766 3.367 1.00 0.00 N ATOM 480 CA ALA A1966 3.568 8.172 3.581 1.00 0.00 C ATOM 481 C ALA A1966 4.167 8.397 4.961 1.00 0.00 C ATOM 482 O ALA A1966 5.247 8.961 5.089 1.00 0.00 O ATOM 483 CB ALA A1966 2.281 8.977 3.403 1.00 0.00 C ATOM 0 H ALA A1966 2.341 6.557 3.126 1.00 0.00 H new ATOM 0 HA ALA A1966 4.290 8.516 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.488 10.035 3.567 1.00 0.00 H new ATOM 0 HB2 ALA A1966 1.899 8.834 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.537 8.637 4.123 1.00 0.00 H new ATOM 489 N GLU A1967 3.508 7.875 5.991 1.00 0.00 N ATOM 490 CA GLU A1967 3.973 8.036 7.366 1.00 0.00 C ATOM 491 C GLU A1967 5.285 7.292 7.584 1.00 0.00 C ATOM 492 O GLU A1967 6.099 7.672 8.424 1.00 0.00 O ATOM 493 CB GLU A1967 2.904 7.553 8.353 1.00 0.00 C ATOM 494 CG GLU A1967 1.592 8.250 8.006 1.00 0.00 C ATOM 495 CD GLU A1967 0.536 8.239 9.115 1.00 0.00 C ATOM 496 OE1 GLU A1967 0.872 8.318 10.321 1.00 0.00 O ATOM 497 OE2 GLU A1967 -0.667 8.136 8.776 1.00 0.00 O ATOM 0 H GLU A1967 2.647 7.335 5.900 1.00 0.00 H new ATOM 0 HA GLU A1967 4.153 9.096 7.545 1.00 0.00 H new ATOM 0 HB2 GLU A1967 2.789 6.471 8.290 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.199 7.783 9.377 1.00 0.00 H new ATOM 0 HG2 GLU A1967 1.808 9.285 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.170 7.776 7.120 1.00 0.00 H new ATOM 504 N ALA A1968 5.481 6.213 6.826 1.00 0.00 N ATOM 505 CA ALA A1968 6.691 5.406 6.891 1.00 0.00 C ATOM 506 C ALA A1968 7.893 6.214 6.393 1.00 0.00 C ATOM 507 O ALA A1968 9.018 5.929 6.799 1.00 0.00 O ATOM 508 CB ALA A1968 6.542 4.127 6.066 1.00 0.00 C ATOM 0 H ALA A1968 4.799 5.876 6.147 1.00 0.00 H new ATOM 0 HA ALA A1968 6.855 5.125 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.460 3.543 6.132 1.00 0.00 H new ATOM 0 HB2 ALA A1968 5.709 3.540 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.351 4.386 5.025 1.00 0.00 H new ATOM 514 N LEU A1969 7.656 7.190 5.509 1.00 0.00 N ATOM 515 CA LEU A1969 8.660 8.076 4.939 1.00 0.00 C ATOM 516 C LEU A1969 8.549 9.481 5.557 1.00 0.00 C ATOM 517 O LEU A1969 9.141 10.427 5.035 1.00 0.00 O ATOM 518 CB LEU A1969 8.539 8.152 3.402 1.00 0.00 C ATOM 519 CG LEU A1969 8.785 6.849 2.621 1.00 0.00 C ATOM 520 CD1 LEU A1969 8.981 7.181 1.144 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.019 6.078 3.097 1.00 0.00 C ATOM 0 H LEU A1969 6.718 7.387 5.161 1.00 0.00 H new ATOM 0 HA LEU A1969 9.641 7.664 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.539 8.511 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.244 8.902 3.042 1.00 0.00 H new ATOM 0 HG LEU A1969 7.913 6.218 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.156 6.262 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.088 7.675 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A1969 9.839 7.843 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.133 5.171 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A1969 10.905 6.702 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A1969 9.899 5.812 4.147 1.00 0.00 H new ATOM 533 N TYR A1970 7.794 9.627 6.653 1.00 0.00 N ATOM 534 CA TYR A1970 7.557 10.871 7.377 1.00 0.00 C ATOM 535 C TYR A1970 7.019 11.985 6.461 1.00 0.00 C ATOM 536 O TYR A1970 7.453 13.138 6.537 1.00 0.00 O ATOM 537 CB TYR A1970 8.810 11.274 8.171 1.00 0.00 C ATOM 538 CG TYR A1970 9.453 10.158 8.981 1.00 0.00 C ATOM 539 CD1 TYR A1970 8.824 9.655 10.136 1.00 0.00 C ATOM 540 CD2 TYR A1970 10.698 9.632 8.585 1.00 0.00 C ATOM 541 CE1 TYR A1970 9.451 8.657 10.908 1.00 0.00 C ATOM 542 CE2 TYR A1970 11.333 8.641 9.351 1.00 0.00 C ATOM 543 CZ TYR A1970 10.716 8.154 10.523 1.00 0.00 C ATOM 544 OH TYR A1970 11.358 7.219 11.272 1.00 0.00 O ATOM 0 H TYR A1970 7.309 8.836 7.077 1.00 0.00 H new ATOM 0 HA TYR A1970 6.763 10.703 8.104 1.00 0.00 H new ATOM 0 HB2 TYR A1970 9.550 11.668 7.475 1.00 0.00 H new ATOM 0 HB3 TYR A1970 8.545 12.086 8.848 1.00 0.00 H new ATOM 0 HD1 TYR A1970 7.857 10.036 10.431 1.00 0.00 H new ATOM 0 HD2 TYR A1970 11.169 9.994 7.683 1.00 0.00 H new ATOM 0 HE1 TYR A1970 8.966 8.276 11.794 1.00 0.00 H new ATOM 0 HE2 TYR A1970 12.292 8.252 9.044 1.00 0.00 H new ATOM 0 HH TYR A1970 12.213 6.993 10.851 1.00 0.00 H new ATOM 554 N THR A1971 6.070 11.645 5.588 1.00 0.00 N ATOM 555 CA THR A1971 5.443 12.555 4.641 1.00 0.00 C ATOM 556 C THR A1971 3.933 12.278 4.549 1.00 0.00 C ATOM 557 O THR A1971 3.340 11.586 5.387 1.00 0.00 O ATOM 558 CB THR A1971 6.191 12.475 3.292 1.00 0.00 C ATOM 559 OG1 THR A1971 5.854 13.618 2.536 1.00 0.00 O ATOM 560 CG2 THR A1971 5.848 11.210 2.490 1.00 0.00 C ATOM 0 H THR A1971 5.707 10.694 5.522 1.00 0.00 H new ATOM 0 HA THR A1971 5.523 13.587 4.981 1.00 0.00 H new ATOM 0 HB THR A1971 7.260 12.432 3.500 1.00 0.00 H new ATOM 0 HG1 THR A1971 6.401 13.646 1.723 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.404 11.211 1.553 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.117 10.327 3.070 1.00 0.00 H new ATOM 0 HG23 THR A1971 4.779 11.193 2.277 1.00 0.00 H new ATOM 568 N GLU A1972 3.307 12.848 3.523 1.00 0.00 N ATOM 569 CA GLU A1972 1.907 12.760 3.179 1.00 0.00 C ATOM 570 C GLU A1972 1.724 12.053 1.840 1.00 0.00 C ATOM 571 O GLU A1972 2.550 12.154 0.936 1.00 0.00 O ATOM 572 CB GLU A1972 1.320 14.175 3.135 1.00 0.00 C ATOM 573 CG GLU A1972 1.919 15.057 2.027 1.00 0.00 C ATOM 574 CD GLU A1972 1.431 16.499 2.137 1.00 0.00 C ATOM 575 OE1 GLU A1972 0.197 16.690 2.259 1.00 0.00 O ATOM 576 OE2 GLU A1972 2.250 17.440 2.037 1.00 0.00 O ATOM 0 H GLU A1972 3.818 13.431 2.860 1.00 0.00 H new ATOM 0 HA GLU A1972 1.381 12.173 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.242 14.107 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A1972 1.483 14.657 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.007 15.034 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A1972 1.647 14.653 1.052 1.00 0.00 H new ATOM 583 N GLU A1973 0.628 11.313 1.706 1.00 0.00 N ATOM 584 CA GLU A1973 0.298 10.603 0.474 1.00 0.00 C ATOM 585 C GLU A1973 -0.005 11.593 -0.644 1.00 0.00 C ATOM 586 O GLU A1973 0.114 11.250 -1.817 1.00 0.00 O ATOM 587 CB GLU A1973 -0.871 9.630 0.694 1.00 0.00 C ATOM 588 CG GLU A1973 -1.976 10.034 1.664 1.00 0.00 C ATOM 589 CD GLU A1973 -2.575 11.399 1.356 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.486 11.453 0.497 1.00 0.00 O ATOM 591 OE2 GLU A1973 -2.139 12.391 1.976 1.00 0.00 O ATOM 0 H GLU A1973 -0.058 11.188 2.450 1.00 0.00 H new ATOM 0 HA GLU A1973 1.163 10.010 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -1.332 9.440 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.455 8.684 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -2.766 9.283 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.576 10.040 2.678 1.00 0.00 H new ATOM 598 N SER A1974 -0.340 12.832 -0.299 1.00 0.00 N ATOM 599 CA SER A1974 -0.658 13.853 -1.252 1.00 0.00 C ATOM 600 C SER A1974 0.508 14.127 -2.187 1.00 0.00 C ATOM 601 O SER A1974 0.278 14.520 -3.332 1.00 0.00 O ATOM 602 CB SER A1974 -1.144 15.090 -0.507 1.00 0.00 C ATOM 603 OG SER A1974 -0.145 16.060 -0.282 1.00 0.00 O ATOM 0 H SER A1974 -0.395 13.145 0.670 1.00 0.00 H new ATOM 0 HA SER A1974 -1.466 13.516 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A1974 -1.956 15.546 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A1974 -1.559 14.782 0.453 1.00 0.00 H new ATOM 0 HG SER A1974 -0.319 16.518 0.567 1.00 0.00 H new ATOM 609 N GLU A1975 1.741 13.854 -1.753 1.00 0.00 N ATOM 610 CA GLU A1975 2.908 14.099 -2.581 1.00 0.00 C ATOM 611 C GLU A1975 3.460 12.823 -3.243 1.00 0.00 C ATOM 612 O GLU A1975 4.451 12.887 -3.970 1.00 0.00 O ATOM 613 CB GLU A1975 3.962 14.827 -1.727 1.00 0.00 C ATOM 614 CG GLU A1975 4.764 13.947 -0.739 1.00 0.00 C ATOM 615 CD GLU A1975 6.281 14.160 -0.843 1.00 0.00 C ATOM 616 OE1 GLU A1975 6.829 14.098 -1.967 1.00 0.00 O ATOM 617 OE2 GLU A1975 6.964 14.381 0.191 1.00 0.00 O ATOM 0 H GLU A1975 1.949 13.464 -0.834 1.00 0.00 H new ATOM 0 HA GLU A1975 2.619 14.732 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A1975 4.666 15.319 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A1975 3.461 15.611 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A1975 4.441 14.166 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A1975 4.536 12.898 -0.928 1.00 0.00 H new ATOM 624 N ILE A1976 2.828 11.661 -3.036 1.00 0.00 N ATOM 625 CA ILE A1976 3.301 10.384 -3.560 1.00 0.00 C ATOM 626 C ILE A1976 2.602 9.990 -4.860 1.00 0.00 C ATOM 627 O ILE A1976 1.377 10.107 -4.997 1.00 0.00 O ATOM 628 CB ILE A1976 3.136 9.311 -2.451 1.00 0.00 C ATOM 629 CG1 ILE A1976 3.899 9.724 -1.178 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.544 7.894 -2.902 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.677 8.808 0.023 1.00 0.00 C ATOM 0 H ILE A1976 1.967 11.586 -2.495 1.00 0.00 H new ATOM 0 HA ILE A1976 4.355 10.472 -3.824 1.00 0.00 H new ATOM 0 HB ILE A1976 2.070 9.261 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A1976 4.965 9.754 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.602 10.737 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.403 7.195 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A1976 2.926 7.589 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.592 7.895 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.253 9.176 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.618 8.796 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.002 7.798 -0.225 1.00 0.00 H new ATOM 643 N ALA A1977 3.401 9.507 -5.813 1.00 0.00 N ATOM 644 CA ALA A1977 2.958 9.020 -7.111 1.00 0.00 C ATOM 645 C ALA A1977 2.766 7.501 -6.979 1.00 0.00 C ATOM 646 O ALA A1977 3.315 6.861 -6.078 1.00 0.00 O ATOM 647 CB ALA A1977 3.980 9.389 -8.179 1.00 0.00 C ATOM 0 H ALA A1977 4.412 9.444 -5.693 1.00 0.00 H new ATOM 0 HA ALA A1977 2.017 9.476 -7.417 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.642 9.022 -9.148 1.00 0.00 H new ATOM 0 HB2 ALA A1977 4.089 10.473 -8.220 1.00 0.00 H new ATOM 0 HB3 ALA A1977 4.941 8.937 -7.934 1.00 0.00 H new ATOM 653 N GLU A1978 2.035 6.888 -7.902 1.00 0.00 N ATOM 654 CA GLU A1978 1.713 5.458 -7.882 1.00 0.00 C ATOM 655 C GLU A1978 2.656 4.595 -8.708 1.00 0.00 C ATOM 656 O GLU A1978 2.709 3.383 -8.511 1.00 0.00 O ATOM 657 CB GLU A1978 0.233 5.270 -8.250 1.00 0.00 C ATOM 658 CG GLU A1978 -0.637 6.267 -7.467 1.00 0.00 C ATOM 659 CD GLU A1978 -2.126 6.035 -7.613 1.00 0.00 C ATOM 660 OE1 GLU A1978 -2.643 6.048 -8.756 1.00 0.00 O ATOM 661 OE2 GLU A1978 -2.789 5.828 -6.569 1.00 0.00 O ATOM 0 H GLU A1978 1.639 7.378 -8.704 1.00 0.00 H new ATOM 0 HA GLU A1978 1.871 5.093 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A1978 0.095 5.418 -9.321 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.079 4.250 -8.026 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.373 6.212 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.403 7.278 -7.801 1.00 0.00 H new ATOM 668 N ASP A1979 3.419 5.234 -9.589 1.00 0.00 N ATOM 669 CA ASP A1979 4.432 4.675 -10.486 1.00 0.00 C ATOM 670 C ASP A1979 5.830 5.125 -10.036 1.00 0.00 C ATOM 671 O ASP A1979 6.827 4.848 -10.708 1.00 0.00 O ATOM 672 CB ASP A1979 4.163 5.052 -11.951 1.00 0.00 C ATOM 673 CG ASP A1979 3.984 6.551 -12.161 1.00 0.00 C ATOM 674 OD1 ASP A1979 4.942 7.320 -11.953 1.00 0.00 O ATOM 675 OD2 ASP A1979 2.850 6.941 -12.540 1.00 0.00 O ATOM 0 H ASP A1979 3.340 6.244 -9.706 1.00 0.00 H new ATOM 0 HA ASP A1979 4.381 3.588 -10.429 1.00 0.00 H new ATOM 0 HB2 ASP A1979 4.991 4.701 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP A1979 3.268 4.534 -12.294 1.00 0.00 H new ATOM 680 N GLN A1980 5.920 5.836 -8.905 1.00 0.00 N ATOM 681 CA GLN A1980 7.197 6.286 -8.375 1.00 0.00 C ATOM 682 C GLN A1980 7.695 5.225 -7.414 1.00 0.00 C ATOM 683 O GLN A1980 6.916 4.634 -6.659 1.00 0.00 O ATOM 684 CB GLN A1980 7.120 7.658 -7.706 1.00 0.00 C ATOM 685 CG GLN A1980 8.477 8.140 -7.171 1.00 0.00 C ATOM 686 CD GLN A1980 9.503 8.272 -8.293 1.00 0.00 C ATOM 687 OE1 GLN A1980 10.070 7.281 -8.765 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.681 9.473 -8.797 1.00 0.00 N ATOM 0 H GLN A1980 5.114 6.109 -8.342 1.00 0.00 H new ATOM 0 HA GLN A1980 7.897 6.416 -9.200 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.739 8.385 -8.423 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.405 7.616 -6.884 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.353 9.102 -6.674 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.844 7.439 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN A1980 9.200 10.274 -8.388 1.00 0.00 H new ATOM 0 HE22 GLN A1980 10.300 9.604 -9.597 1.00 0.00 H new ATOM 697 N LYS A1981 8.993 4.956 -7.469 1.00 0.00 N ATOM 698 CA LYS A1981 9.611 3.958 -6.625 1.00 0.00 C ATOM 699 C LYS A1981 9.719 4.491 -5.213 1.00 0.00 C ATOM 700 O LYS A1981 10.223 5.589 -5.007 1.00 0.00 O ATOM 701 CB LYS A1981 10.962 3.537 -7.199 1.00 0.00 C ATOM 702 CG LYS A1981 10.709 2.924 -8.577 1.00 0.00 C ATOM 703 CD LYS A1981 11.759 1.902 -8.992 1.00 0.00 C ATOM 704 CE LYS A1981 11.120 1.222 -10.200 1.00 0.00 C ATOM 705 NZ LYS A1981 11.975 0.196 -10.822 1.00 0.00 N ATOM 0 H LYS A1981 9.641 5.426 -8.101 1.00 0.00 H new ATOM 0 HA LYS A1981 8.993 3.061 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.628 4.396 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.449 2.816 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.729 2.447 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.677 3.721 -9.320 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.705 2.378 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.968 1.191 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A1981 10.181 0.762 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A1981 10.875 1.979 -10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 11.479 -0.223 -11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.862 0.633 -11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 12.189 -0.547 -10.126 1.00 0.00 H new ATOM 719 N PHE A1982 9.326 3.691 -4.229 1.00 0.00 N ATOM 720 CA PHE A1982 9.402 4.102 -2.829 1.00 0.00 C ATOM 721 C PHE A1982 10.850 4.447 -2.471 1.00 0.00 C ATOM 722 O PHE A1982 11.085 5.361 -1.690 1.00 0.00 O ATOM 723 CB PHE A1982 8.862 3.001 -1.912 1.00 0.00 C ATOM 724 CG PHE A1982 7.564 2.363 -2.339 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.464 3.176 -2.636 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.457 0.965 -2.455 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.269 2.582 -3.071 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.252 0.372 -2.867 1.00 0.00 C ATOM 729 CZ PHE A1982 5.148 1.183 -3.170 1.00 0.00 C ATOM 0 H PHE A1982 8.951 2.753 -4.373 1.00 0.00 H new ATOM 0 HA PHE A1982 8.783 4.988 -2.686 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.618 2.220 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.727 3.420 -0.915 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.534 4.249 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.309 0.342 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.429 3.208 -3.334 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.176 -0.702 -2.950 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.213 0.738 -3.477 1.00 0.00 H new ATOM 739 N VAL A1983 11.829 3.728 -3.032 1.00 0.00 N ATOM 740 CA VAL A1983 13.244 3.978 -2.767 1.00 0.00 C ATOM 741 C VAL A1983 13.635 5.411 -3.142 1.00 0.00 C ATOM 742 O VAL A1983 14.430 6.013 -2.424 1.00 0.00 O ATOM 743 CB VAL A1983 14.160 2.949 -3.461 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.948 1.545 -2.887 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.967 2.847 -4.979 1.00 0.00 C ATOM 0 H VAL A1983 11.660 2.959 -3.680 1.00 0.00 H new ATOM 0 HA VAL A1983 13.390 3.859 -1.693 1.00 0.00 H new ATOM 0 HB VAL A1983 15.167 3.320 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.607 0.841 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.175 1.550 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.911 1.244 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.651 2.101 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.940 2.554 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A1983 14.173 3.814 -5.438 1.00 0.00 H new ATOM 755 N ASP A1984 13.087 5.957 -4.235 1.00 0.00 N ATOM 756 CA ASP A1984 13.362 7.316 -4.705 1.00 0.00 C ATOM 757 C ASP A1984 12.846 8.318 -3.674 1.00 0.00 C ATOM 758 O ASP A1984 13.486 9.338 -3.429 1.00 0.00 O ATOM 759 CB ASP A1984 12.742 7.513 -6.106 1.00 0.00 C ATOM 760 CG ASP A1984 12.763 8.951 -6.639 1.00 0.00 C ATOM 761 OD1 ASP A1984 12.041 9.810 -6.096 1.00 0.00 O ATOM 762 OD2 ASP A1984 13.413 9.219 -7.678 1.00 0.00 O ATOM 0 H ASP A1984 12.427 5.454 -4.828 1.00 0.00 H new ATOM 0 HA ASP A1984 14.434 7.483 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A1984 13.272 6.874 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A1984 11.708 7.169 -6.079 1.00 0.00 H new ATOM 767 N LEU A1985 11.730 7.991 -3.016 1.00 0.00 N ATOM 768 CA LEU A1985 11.133 8.840 -1.992 1.00 0.00 C ATOM 769 C LEU A1985 11.913 8.714 -0.674 1.00 0.00 C ATOM 770 O LEU A1985 11.928 9.659 0.112 1.00 0.00 O ATOM 771 CB LEU A1985 9.643 8.511 -1.806 1.00 0.00 C ATOM 772 CG LEU A1985 8.752 8.651 -3.056 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.278 8.570 -2.649 1.00 0.00 C ATOM 774 CD2 LEU A1985 8.970 9.968 -3.811 1.00 0.00 C ATOM 0 H LEU A1985 11.216 7.126 -3.182 1.00 0.00 H new ATOM 0 HA LEU A1985 11.195 9.878 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.562 7.487 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.244 9.160 -1.027 1.00 0.00 H new ATOM 0 HG LEU A1985 9.029 7.835 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.650 8.669 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.084 7.609 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.049 9.374 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.312 10.003 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A1985 8.745 10.807 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.008 10.032 -4.139 1.00 0.00 H new ATOM 786 N GLY A1986 12.571 7.573 -0.418 1.00 0.00 N ATOM 787 CA GLY A1986 13.377 7.344 0.780 1.00 0.00 C ATOM 788 C GLY A1986 13.186 5.984 1.447 1.00 0.00 C ATOM 789 O GLY A1986 13.580 5.802 2.597 1.00 0.00 O ATOM 0 H GLY A1986 12.554 6.773 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.429 7.456 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.146 8.122 1.507 1.00 0.00 H new ATOM 793 N LEU A1987 12.563 5.023 0.766 1.00 0.00 N ATOM 794 CA LEU A1987 12.317 3.693 1.318 1.00 0.00 C ATOM 795 C LEU A1987 13.616 2.915 1.408 1.00 0.00 C ATOM 796 O LEU A1987 14.244 2.618 0.389 1.00 0.00 O ATOM 797 CB LEU A1987 11.280 2.985 0.445 1.00 0.00 C ATOM 798 CG LEU A1987 10.457 1.842 1.051 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.298 0.716 1.630 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.469 2.386 2.086 1.00 0.00 C ATOM 0 H LEU A1987 12.215 5.146 -0.185 1.00 0.00 H new ATOM 0 HA LEU A1987 11.922 3.768 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.581 3.740 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.799 2.590 -0.428 1.00 0.00 H new ATOM 0 HG LEU A1987 9.903 1.393 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.643 -0.054 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A1987 11.919 0.285 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A1987 11.936 1.108 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A1987 8.892 1.562 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.017 2.890 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A1987 8.793 3.094 1.607 1.00 0.00 H new ATOM 812 N ASP A1988 13.989 2.542 2.623 1.00 0.00 N ATOM 813 CA ASP A1988 15.200 1.799 2.923 1.00 0.00 C ATOM 814 C ASP A1988 14.858 0.408 3.460 1.00 0.00 C ATOM 815 O ASP A1988 13.693 0.074 3.677 1.00 0.00 O ATOM 816 CB ASP A1988 16.080 2.623 3.866 1.00 0.00 C ATOM 817 CG ASP A1988 16.788 3.786 3.157 1.00 0.00 C ATOM 818 OD1 ASP A1988 17.268 3.587 2.013 1.00 0.00 O ATOM 819 OD2 ASP A1988 16.835 4.903 3.722 1.00 0.00 O ATOM 0 H ASP A1988 13.437 2.756 3.454 1.00 0.00 H new ATOM 0 HA ASP A1988 15.777 1.631 2.014 1.00 0.00 H new ATOM 0 HB2 ASP A1988 15.466 3.017 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.827 1.972 4.320 1.00 0.00 H new ATOM 824 N SER A1989 15.885 -0.411 3.669 1.00 0.00 N ATOM 825 CA SER A1989 15.786 -1.791 4.137 1.00 0.00 C ATOM 826 C SER A1989 14.946 -1.947 5.402 1.00 0.00 C ATOM 827 O SER A1989 14.154 -2.887 5.493 1.00 0.00 O ATOM 828 CB SER A1989 17.207 -2.329 4.362 1.00 0.00 C ATOM 829 OG SER A1989 17.243 -3.740 4.362 1.00 0.00 O ATOM 0 H SER A1989 16.849 -0.119 3.510 1.00 0.00 H new ATOM 0 HA SER A1989 15.268 -2.367 3.371 1.00 0.00 H new ATOM 0 HB2 SER A1989 17.866 -1.949 3.582 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.590 -1.956 5.312 1.00 0.00 H new ATOM 0 HG SER A1989 18.163 -4.044 4.506 1.00 0.00 H new ATOM 835 N ILE A1990 15.116 -1.036 6.358 1.00 0.00 N ATOM 836 CA ILE A1990 14.414 -1.069 7.627 1.00 0.00 C ATOM 837 C ILE A1990 12.924 -0.826 7.395 1.00 0.00 C ATOM 838 O ILE A1990 12.092 -1.693 7.660 1.00 0.00 O ATOM 839 CB ILE A1990 15.049 -0.045 8.601 1.00 0.00 C ATOM 840 CG1 ILE A1990 16.575 -0.262 8.771 1.00 0.00 C ATOM 841 CG2 ILE A1990 14.379 -0.132 9.982 1.00 0.00 C ATOM 842 CD1 ILE A1990 17.434 0.628 7.864 1.00 0.00 C ATOM 0 H ILE A1990 15.755 -0.246 6.266 1.00 0.00 H new ATOM 0 HA ILE A1990 14.509 -2.051 8.091 1.00 0.00 H new ATOM 0 HB ILE A1990 14.890 0.941 8.165 1.00 0.00 H new ATOM 0 HG12 ILE A1990 16.845 -0.073 9.810 1.00 0.00 H new ATOM 0 HG13 ILE A1990 16.809 -1.307 8.565 1.00 0.00 H new ATOM 0 HG21 ILE A1990 14.836 0.594 10.655 1.00 0.00 H new ATOM 0 HG22 ILE A1990 13.315 0.084 9.884 1.00 0.00 H new ATOM 0 HG23 ILE A1990 14.510 -1.135 10.387 1.00 0.00 H new ATOM 0 HD11 ILE A1990 18.489 0.418 8.041 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.194 0.424 6.821 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.231 1.676 8.085 1.00 0.00 H new ATOM 854 N VAL A1991 12.613 0.343 6.834 1.00 0.00 N ATOM 855 CA VAL A1991 11.269 0.811 6.533 1.00 0.00 C ATOM 856 C VAL A1991 10.500 -0.222 5.712 1.00 0.00 C ATOM 857 O VAL A1991 9.321 -0.461 5.958 1.00 0.00 O ATOM 858 CB VAL A1991 11.323 2.165 5.791 1.00 0.00 C ATOM 859 CG1 VAL A1991 9.930 2.804 5.767 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.288 3.178 6.418 1.00 0.00 C ATOM 0 H VAL A1991 13.329 1.018 6.566 1.00 0.00 H new ATOM 0 HA VAL A1991 10.740 0.952 7.475 1.00 0.00 H new ATOM 0 HB VAL A1991 11.684 1.934 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A1991 9.976 3.758 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.234 2.141 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A1991 9.587 2.968 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.270 4.103 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A1991 11.983 3.384 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.298 2.768 6.415 1.00 0.00 H new ATOM 870 N GLY A1992 11.151 -0.882 4.755 1.00 0.00 N ATOM 871 CA GLY A1992 10.478 -1.860 3.928 1.00 0.00 C ATOM 872 C GLY A1992 10.008 -3.097 4.693 1.00 0.00 C ATOM 873 O GLY A1992 8.957 -3.636 4.348 1.00 0.00 O ATOM 0 H GLY A1992 12.140 -0.752 4.540 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.617 -1.389 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.152 -2.172 3.130 1.00 0.00 H new ATOM 877 N VAL A1993 10.751 -3.570 5.696 1.00 0.00 N ATOM 878 CA VAL A1993 10.385 -4.740 6.498 1.00 0.00 C ATOM 879 C VAL A1993 9.196 -4.383 7.386 1.00 0.00 C ATOM 880 O VAL A1993 8.223 -5.137 7.468 1.00 0.00 O ATOM 881 CB VAL A1993 11.601 -5.168 7.356 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.263 -6.209 8.438 1.00 0.00 C ATOM 883 CG2 VAL A1993 12.728 -5.765 6.514 1.00 0.00 C ATOM 0 H VAL A1993 11.635 -3.146 5.978 1.00 0.00 H new ATOM 0 HA VAL A1993 10.104 -5.571 5.851 1.00 0.00 H new ATOM 0 HB VAL A1993 11.916 -4.238 7.829 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.165 -6.459 8.997 1.00 0.00 H new ATOM 0 HG12 VAL A1993 10.517 -5.798 9.118 1.00 0.00 H new ATOM 0 HG13 VAL A1993 10.868 -7.109 7.966 1.00 0.00 H new ATOM 0 HG21 VAL A1993 13.556 -6.049 7.163 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.361 -6.646 5.988 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.071 -5.026 5.790 1.00 0.00 H new ATOM 893 N GLU A1994 9.257 -3.251 8.079 1.00 0.00 N ATOM 894 CA GLU A1994 8.142 -2.869 8.933 1.00 0.00 C ATOM 895 C GLU A1994 6.914 -2.566 8.077 1.00 0.00 C ATOM 896 O GLU A1994 5.841 -3.087 8.364 1.00 0.00 O ATOM 897 CB GLU A1994 8.519 -1.738 9.884 1.00 0.00 C ATOM 898 CG GLU A1994 9.034 -0.477 9.192 1.00 0.00 C ATOM 899 CD GLU A1994 9.330 0.584 10.244 1.00 0.00 C ATOM 900 OE1 GLU A1994 10.310 0.416 10.999 1.00 0.00 O ATOM 901 OE2 GLU A1994 8.497 1.499 10.441 1.00 0.00 O ATOM 0 H GLU A1994 10.042 -2.600 8.068 1.00 0.00 H new ATOM 0 HA GLU A1994 7.883 -3.707 9.580 1.00 0.00 H new ATOM 0 HB2 GLU A1994 7.647 -1.478 10.484 1.00 0.00 H new ATOM 0 HB3 GLU A1994 9.284 -2.098 10.572 1.00 0.00 H new ATOM 0 HG2 GLU A1994 9.935 -0.703 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A1994 8.293 -0.107 8.484 1.00 0.00 H new ATOM 908 N TRP A1995 7.055 -1.846 6.961 1.00 0.00 N ATOM 909 CA TRP A1995 5.906 -1.533 6.132 1.00 0.00 C ATOM 910 C TRP A1995 5.314 -2.792 5.500 1.00 0.00 C ATOM 911 O TRP A1995 4.093 -2.873 5.342 1.00 0.00 O ATOM 912 CB TRP A1995 6.276 -0.490 5.088 1.00 0.00 C ATOM 913 CG TRP A1995 5.089 0.073 4.373 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.040 0.711 4.941 1.00 0.00 C ATOM 915 CD2 TRP A1995 4.814 0.046 2.948 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.122 1.036 3.962 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.559 0.667 2.708 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.523 -0.430 1.834 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.048 0.825 1.410 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.050 -0.234 0.524 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.821 0.415 0.313 1.00 0.00 C ATOM 0 H TRP A1995 7.943 -1.477 6.621 1.00 0.00 H new ATOM 0 HA TRP A1995 5.128 -1.108 6.767 1.00 0.00 H new ATOM 0 HB2 TRP A1995 6.820 0.322 5.571 1.00 0.00 H new ATOM 0 HB3 TRP A1995 6.952 -0.938 4.360 1.00 0.00 H new ATOM 0 HD1 TRP A1995 3.937 0.931 5.993 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.229 1.494 4.145 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.452 -0.959 1.986 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.070 1.258 1.257 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.630 -0.581 -0.318 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.472 0.598 -0.693 1.00 0.00 H new ATOM 932 N THR A1996 6.141 -3.788 5.143 1.00 0.00 N ATOM 933 CA THR A1996 5.594 -5.023 4.565 1.00 0.00 C ATOM 934 C THR A1996 4.697 -5.681 5.626 1.00 0.00 C ATOM 935 O THR A1996 3.705 -6.335 5.298 1.00 0.00 O ATOM 936 CB THR A1996 6.677 -5.967 3.989 1.00 0.00 C ATOM 937 OG1 THR A1996 6.189 -6.691 2.873 1.00 0.00 O ATOM 938 CG2 THR A1996 7.203 -7.021 4.965 1.00 0.00 C ATOM 0 H THR A1996 7.156 -3.766 5.240 1.00 0.00 H new ATOM 0 HA THR A1996 4.993 -4.780 3.689 1.00 0.00 H new ATOM 0 HB THR A1996 7.487 -5.284 3.732 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.383 -7.644 2.991 1.00 0.00 H new ATOM 0 HG21 THR A1996 7.957 -7.633 4.469 1.00 0.00 H new ATOM 0 HG22 THR A1996 7.648 -6.527 5.829 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.380 -7.655 5.294 1.00 0.00 H new ATOM 946 N THR A1997 5.039 -5.495 6.903 1.00 0.00 N ATOM 947 CA THR A1997 4.285 -6.036 8.007 1.00 0.00 C ATOM 948 C THR A1997 2.985 -5.254 8.143 1.00 0.00 C ATOM 949 O THR A1997 1.927 -5.879 8.152 1.00 0.00 O ATOM 950 CB THR A1997 5.116 -5.996 9.292 1.00 0.00 C ATOM 951 OG1 THR A1997 6.325 -6.714 9.108 1.00 0.00 O ATOM 952 CG2 THR A1997 4.291 -6.615 10.412 1.00 0.00 C ATOM 0 H THR A1997 5.857 -4.958 7.189 1.00 0.00 H new ATOM 0 HA THR A1997 4.042 -7.082 7.820 1.00 0.00 H new ATOM 0 HB THR A1997 5.370 -4.967 9.548 1.00 0.00 H new ATOM 0 HG1 THR A1997 6.930 -6.196 8.537 1.00 0.00 H new ATOM 0 HG21 THR A1997 4.864 -6.597 11.339 1.00 0.00 H new ATOM 0 HG22 THR A1997 3.371 -6.046 10.544 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.046 -7.646 10.157 1.00 0.00 H new ATOM 960 N THR A1998 3.034 -3.920 8.131 1.00 0.00 N ATOM 961 CA THR A1998 1.853 -3.066 8.251 1.00 0.00 C ATOM 962 C THR A1998 0.853 -3.473 7.165 1.00 0.00 C ATOM 963 O THR A1998 -0.357 -3.509 7.381 1.00 0.00 O ATOM 964 CB THR A1998 2.315 -1.604 8.075 1.00 0.00 C ATOM 965 OG1 THR A1998 3.358 -1.350 8.989 1.00 0.00 O ATOM 966 CG2 THR A1998 1.216 -0.543 8.224 1.00 0.00 C ATOM 0 H THR A1998 3.905 -3.398 8.037 1.00 0.00 H new ATOM 0 HA THR A1998 1.367 -3.170 9.221 1.00 0.00 H new ATOM 0 HB THR A1998 2.647 -1.513 7.041 1.00 0.00 H new ATOM 0 HG1 THR A1998 3.664 -0.424 8.888 1.00 0.00 H new ATOM 0 HG21 THR A1998 1.646 0.449 8.082 1.00 0.00 H new ATOM 0 HG22 THR A1998 0.442 -0.713 7.476 1.00 0.00 H new ATOM 0 HG23 THR A1998 0.779 -0.610 9.220 1.00 0.00 H new ATOM 974 N ILE A1999 1.360 -3.818 5.983 1.00 0.00 N ATOM 975 CA ILE A1999 0.554 -4.242 4.851 1.00 0.00 C ATOM 976 C ILE A1999 -0.127 -5.569 5.189 1.00 0.00 C ATOM 977 O ILE A1999 -1.335 -5.706 4.982 1.00 0.00 O ATOM 978 CB ILE A1999 1.447 -4.348 3.597 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.686 -2.929 3.052 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.807 -5.247 2.530 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.721 -2.873 1.937 1.00 0.00 C ATOM 0 H ILE A1999 2.361 -3.809 5.787 1.00 0.00 H new ATOM 0 HA ILE A1999 -0.226 -3.511 4.638 1.00 0.00 H new ATOM 0 HB ILE A1999 2.399 -4.807 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.743 -2.527 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.009 -2.284 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.461 -5.301 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.661 -6.248 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.157 -4.832 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A1999 2.838 -1.843 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.676 -3.245 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.391 -3.491 1.102 1.00 0.00 H new ATOM 993 N ASN A2000 0.633 -6.557 5.670 1.00 0.00 N ATOM 994 CA ASN A2000 0.085 -7.863 6.011 1.00 0.00 C ATOM 995 C ASN A2000 -1.011 -7.718 7.031 1.00 0.00 C ATOM 996 O ASN A2000 -2.020 -8.391 6.917 1.00 0.00 O ATOM 997 CB ASN A2000 1.116 -8.790 6.661 1.00 0.00 C ATOM 998 CG ASN A2000 2.206 -9.179 5.711 1.00 0.00 C ATOM 999 OD1 ASN A2000 1.952 -9.385 4.532 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.428 -9.262 6.199 1.00 0.00 N ATOM 0 H ASN A2000 1.636 -6.471 5.831 1.00 0.00 H new ATOM 0 HA ASN A2000 -0.263 -8.284 5.068 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.552 -8.294 7.528 1.00 0.00 H new ATOM 0 HB3 ASN A2000 0.616 -9.688 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.206 -9.506 5.587 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.595 -9.082 7.189 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.812 -6.856 8.017 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.784 -6.629 9.073 1.00 0.00 C ATOM 1009 C GLN A2001 -3.017 -5.907 8.538 1.00 0.00 C ATOM 1010 O GLN A2001 -4.119 -6.100 9.047 1.00 0.00 O ATOM 1011 CB GLN A2001 -1.145 -5.848 10.229 1.00 0.00 C ATOM 1012 CG GLN A2001 0.110 -6.535 10.791 1.00 0.00 C ATOM 1013 CD GLN A2001 0.218 -6.378 12.298 1.00 0.00 C ATOM 1014 OE1 GLN A2001 0.907 -5.479 12.774 1.00 0.00 O ATOM 1015 NE2 GLN A2001 -0.442 -7.223 13.061 1.00 0.00 N ATOM 0 H GLN A2001 0.033 -6.292 8.106 1.00 0.00 H new ATOM 0 HA GLN A2001 -2.109 -7.598 9.453 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.882 -4.848 9.884 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.876 -5.728 11.028 1.00 0.00 H new ATOM 0 HG2 GLN A2001 0.087 -7.595 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A2001 0.997 -6.113 10.318 1.00 0.00 H new ATOM 0 HE21 GLN A2001 -1.006 -7.959 12.637 1.00 0.00 H new ATOM 0 HE22 GLN A2001 -0.389 -7.141 14.076 1.00 0.00 H new ATOM 1024 N THR A2002 -2.863 -5.105 7.486 1.00 0.00 N ATOM 1025 CA THR A2002 -3.973 -4.374 6.924 1.00 0.00 C ATOM 1026 C THR A2002 -4.972 -5.307 6.240 1.00 0.00 C ATOM 1027 O THR A2002 -6.176 -5.174 6.443 1.00 0.00 O ATOM 1028 CB THR A2002 -3.473 -3.347 5.894 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.524 -2.441 6.419 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.625 -2.506 5.349 1.00 0.00 C ATOM 0 H THR A2002 -1.973 -4.952 7.012 1.00 0.00 H new ATOM 0 HA THR A2002 -4.472 -3.865 7.748 1.00 0.00 H new ATOM 0 HB THR A2002 -3.007 -3.946 5.112 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.653 -2.884 6.489 1.00 0.00 H new ATOM 0 HG21 THR A2002 -4.241 -1.789 4.623 1.00 0.00 H new ATOM 0 HG22 THR A2002 -5.354 -3.157 4.865 1.00 0.00 H new ATOM 0 HG23 THR A2002 -5.104 -1.971 6.169 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.484 -6.233 5.413 1.00 0.00 N ATOM 1039 CA TYR A2003 -5.318 -7.148 4.643 1.00 0.00 C ATOM 1040 C TYR A2003 -5.255 -8.605 5.100 1.00 0.00 C ATOM 1041 O TYR A2003 -5.806 -9.477 4.432 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.936 -6.972 3.163 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.654 -5.549 2.705 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.690 -4.612 2.544 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.317 -5.142 2.525 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.398 -3.279 2.194 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.015 -3.808 2.216 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.052 -2.868 2.062 1.00 0.00 C ATOM 1049 OH TYR A2003 -3.722 -1.564 1.861 1.00 0.00 O ATOM 0 H TYR A2003 -3.485 -6.368 5.259 1.00 0.00 H new ATOM 0 HA TYR A2003 -6.365 -6.891 4.807 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -4.052 -7.577 2.963 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.743 -7.375 2.551 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.716 -4.916 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.519 -5.863 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -6.199 -2.574 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -1.986 -3.501 2.096 1.00 0.00 H new ATOM 0 HH TYR A2003 -2.750 -1.459 1.927 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.616 -8.863 6.241 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.408 -10.164 6.868 1.00 0.00 C ATOM 1061 C ASN A2004 -3.731 -11.148 5.922 1.00 0.00 C ATOM 1062 O ASN A2004 -4.305 -12.171 5.547 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.734 -10.706 7.382 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.507 -11.992 8.182 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.394 -12.297 8.613 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -6.531 -12.807 8.342 1.00 0.00 N ATOM 0 H ASN A2004 -4.200 -8.111 6.790 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.733 -10.033 7.713 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -6.221 -9.960 8.010 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.403 -10.904 6.545 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -6.404 -13.696 8.825 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -7.450 -12.548 7.983 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.485 -10.857 5.564 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.678 -11.635 4.627 1.00 0.00 C ATOM 1075 C LEU A2005 -0.350 -12.062 5.233 1.00 0.00 C ATOM 1076 O LEU A2005 -0.161 -11.958 6.445 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.408 -10.787 3.366 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.590 -9.953 2.865 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -2.119 -9.057 1.733 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.782 -10.783 2.413 1.00 0.00 C ATOM 0 H LEU A2005 -1.990 -10.044 5.931 1.00 0.00 H new ATOM 0 HA LEU A2005 -2.236 -12.537 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.574 -10.116 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -1.090 -11.453 2.564 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.943 -9.362 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.955 -8.459 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.331 -8.397 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.732 -9.671 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.578 -10.121 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.480 -11.438 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -4.143 -11.385 3.247 1.00 0.00 H new ATOM 1092 N ASN A2006 0.543 -12.568 4.380 1.00 0.00 N ATOM 1093 CA ASN A2006 1.891 -13.003 4.691 1.00 0.00 C ATOM 1094 C ASN A2006 2.731 -12.529 3.508 1.00 0.00 C ATOM 1095 O ASN A2006 2.612 -13.064 2.404 1.00 0.00 O ATOM 1096 CB ASN A2006 1.938 -14.529 4.824 1.00 0.00 C ATOM 1097 CG ASN A2006 3.363 -15.050 4.966 1.00 0.00 C ATOM 1098 OD1 ASN A2006 3.853 -15.231 6.072 1.00 0.00 O ATOM 1099 ND2 ASN A2006 4.046 -15.383 3.882 1.00 0.00 N ATOM 0 H ASN A2006 0.322 -12.689 3.392 1.00 0.00 H new ATOM 0 HA ASN A2006 2.256 -12.600 5.636 1.00 0.00 H new ATOM 0 HB2 ASN A2006 1.353 -14.835 5.691 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.472 -14.983 3.949 1.00 0.00 H new ATOM 0 HD21 ASN A2006 4.977 -15.789 3.971 1.00 0.00 H new ATOM 0 HD22 ASN A2006 3.641 -15.234 2.958 1.00 0.00 H new ATOM 1106 N LEU A2007 3.628 -11.575 3.730 1.00 0.00 N ATOM 1107 CA LEU A2007 4.519 -10.962 2.742 1.00 0.00 C ATOM 1108 C LEU A2007 5.817 -10.603 3.426 1.00 0.00 C ATOM 1109 O LEU A2007 5.886 -10.625 4.659 1.00 0.00 O ATOM 1110 CB LEU A2007 3.916 -9.675 2.189 1.00 0.00 C ATOM 1111 CG LEU A2007 2.562 -9.815 1.473 1.00 0.00 C ATOM 1112 CD1 LEU A2007 1.996 -8.414 1.256 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.708 -10.584 0.156 1.00 0.00 C ATOM 0 H LEU A2007 3.764 -11.182 4.661 1.00 0.00 H new ATOM 0 HA LEU A2007 4.673 -11.669 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A2007 3.798 -8.970 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.629 -9.234 1.492 1.00 0.00 H new ATOM 0 HG LEU A2007 1.871 -10.394 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.034 -8.485 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A2007 1.863 -7.922 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.687 -7.833 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.734 -10.667 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.395 -10.052 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.098 -11.581 0.358 1.00 0.00 H new ATOM 1125 N LYS A2008 6.865 -10.343 2.639 1.00 0.00 N ATOM 1126 CA LYS A2008 8.146 -9.992 3.237 1.00 0.00 C ATOM 1127 C LYS A2008 8.812 -8.852 2.501 1.00 0.00 C ATOM 1128 O LYS A2008 8.319 -8.432 1.456 1.00 0.00 O ATOM 1129 CB LYS A2008 9.029 -11.230 3.385 1.00 0.00 C ATOM 1130 CG LYS A2008 9.606 -11.729 2.054 1.00 0.00 C ATOM 1131 CD LYS A2008 11.083 -12.119 2.092 1.00 0.00 C ATOM 1132 CE LYS A2008 11.448 -12.829 3.387 1.00 0.00 C ATOM 1133 NZ LYS A2008 12.719 -13.560 3.268 1.00 0.00 N ATOM 0 H LYS A2008 6.851 -10.368 1.619 1.00 0.00 H new ATOM 0 HA LYS A2008 7.971 -9.618 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A2008 9.849 -11.003 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.447 -12.030 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.027 -12.592 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.471 -10.951 1.303 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.309 -12.768 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.698 -11.226 1.982 1.00 0.00 H new ATOM 0 HE2 LYS A2008 11.522 -12.099 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A2008 10.653 -13.524 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 12.934 -14.031 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 12.640 -14.273 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.482 -12.893 3.035 1.00 0.00 H new ATOM 1147 N ALA A2009 10.016 -8.497 2.945 1.00 0.00 N ATOM 1148 CA ALA A2009 10.851 -7.435 2.412 1.00 0.00 C ATOM 1149 C ALA A2009 11.006 -7.520 0.895 1.00 0.00 C ATOM 1150 O ALA A2009 11.093 -6.490 0.225 1.00 0.00 O ATOM 1151 CB ALA A2009 12.201 -7.399 3.127 1.00 0.00 C ATOM 0 H ALA A2009 10.456 -8.974 3.732 1.00 0.00 H new ATOM 0 HA ALA A2009 10.344 -6.490 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A2009 12.811 -6.596 2.712 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.044 -7.223 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.712 -8.352 2.988 1.00 0.00 H new ATOM 1157 N THR A2010 10.981 -8.736 0.347 1.00 0.00 N ATOM 1158 CA THR A2010 11.087 -9.012 -1.075 1.00 0.00 C ATOM 1159 C THR A2010 10.003 -8.239 -1.836 1.00 0.00 C ATOM 1160 O THR A2010 10.251 -7.800 -2.942 1.00 0.00 O ATOM 1161 CB THR A2010 10.981 -10.539 -1.271 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.726 -11.023 -2.364 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.542 -11.055 -1.367 1.00 0.00 C ATOM 0 H THR A2010 10.883 -9.583 0.907 1.00 0.00 H new ATOM 0 HA THR A2010 12.044 -8.679 -1.476 1.00 0.00 H new ATOM 0 HB THR A2010 11.420 -10.936 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A2010 11.616 -11.995 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.552 -12.136 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A2010 9.006 -10.810 -0.450 1.00 0.00 H new ATOM 0 HG23 THR A2010 9.043 -10.586 -2.215 1.00 0.00 H new ATOM 1171 N LYS A2011 8.808 -8.036 -1.261 1.00 0.00 N ATOM 1172 CA LYS A2011 7.704 -7.321 -1.889 1.00 0.00 C ATOM 1173 C LYS A2011 8.122 -5.942 -2.323 1.00 0.00 C ATOM 1174 O LYS A2011 7.821 -5.532 -3.437 1.00 0.00 O ATOM 1175 CB LYS A2011 6.546 -7.143 -0.912 1.00 0.00 C ATOM 1176 CG LYS A2011 5.704 -8.360 -0.659 1.00 0.00 C ATOM 1177 CD LYS A2011 5.120 -8.902 -1.945 1.00 0.00 C ATOM 1178 CE LYS A2011 5.917 -10.059 -2.514 1.00 0.00 C ATOM 1179 NZ LYS A2011 6.127 -11.283 -1.712 1.00 0.00 N ATOM 0 H LYS A2011 8.585 -8.375 -0.325 1.00 0.00 H new ATOM 0 HA LYS A2011 7.401 -7.917 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.950 -6.801 0.041 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.899 -6.350 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.309 -9.130 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.899 -8.110 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A2011 4.096 -9.227 -1.764 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.074 -8.101 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A2011 5.432 -10.360 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A2011 6.901 -9.674 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 6.477 -12.045 -2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 6.825 -11.093 -0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 5.227 -11.573 -1.280 1.00 0.00 H new ATOM 1193 N LEU A2012 8.803 -5.236 -1.429 1.00 0.00 N ATOM 1194 CA LEU A2012 9.267 -3.884 -1.707 1.00 0.00 C ATOM 1195 C LEU A2012 10.266 -3.873 -2.862 1.00 0.00 C ATOM 1196 O LEU A2012 10.454 -2.830 -3.487 1.00 0.00 O ATOM 1197 CB LEU A2012 9.885 -3.288 -0.428 1.00 0.00 C ATOM 1198 CG LEU A2012 8.878 -2.603 0.515 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.435 -1.288 -0.126 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.681 -3.499 0.878 1.00 0.00 C ATOM 0 H LEU A2012 9.047 -5.580 -0.500 1.00 0.00 H new ATOM 0 HA LEU A2012 8.420 -3.270 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.391 -4.083 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.647 -2.562 -0.713 1.00 0.00 H new ATOM 0 HG LEU A2012 9.373 -2.404 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.721 -0.787 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.303 -0.645 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A2012 7.965 -1.492 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.010 -2.957 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.145 -3.776 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.039 -4.400 1.377 1.00 0.00 H new ATOM 1212 N TYR A2013 10.903 -5.010 -3.131 1.00 0.00 N ATOM 1213 CA TYR A2013 11.872 -5.197 -4.189 1.00 0.00 C ATOM 1214 C TYR A2013 11.238 -5.818 -5.430 1.00 0.00 C ATOM 1215 O TYR A2013 11.845 -5.767 -6.501 1.00 0.00 O ATOM 1216 CB TYR A2013 12.986 -6.108 -3.650 1.00 0.00 C ATOM 1217 CG TYR A2013 14.318 -5.998 -4.361 1.00 0.00 C ATOM 1218 CD1 TYR A2013 14.992 -4.762 -4.410 1.00 0.00 C ATOM 1219 CD2 TYR A2013 14.929 -7.148 -4.895 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.274 -4.677 -4.979 1.00 0.00 C ATOM 1221 CE2 TYR A2013 16.214 -7.070 -5.458 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.897 -5.833 -5.500 1.00 0.00 C ATOM 1223 OH TYR A2013 18.156 -5.749 -6.005 1.00 0.00 O ATOM 0 H TYR A2013 10.745 -5.859 -2.589 1.00 0.00 H new ATOM 0 HA TYR A2013 12.273 -4.228 -4.488 1.00 0.00 H new ATOM 0 HB2 TYR A2013 13.137 -5.882 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.646 -7.142 -3.709 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.522 -3.876 -4.009 1.00 0.00 H new ATOM 0 HD2 TYR A2013 14.408 -8.094 -4.872 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.784 -3.726 -5.018 1.00 0.00 H new ATOM 0 HE2 TYR A2013 16.681 -7.957 -5.860 1.00 0.00 H new ATOM 0 HH TYR A2013 18.441 -6.631 -6.322 1.00 0.00 H new ATOM 1233 N ASP A2014 10.047 -6.411 -5.312 1.00 0.00 N ATOM 1234 CA ASP A2014 9.338 -7.032 -6.417 1.00 0.00 C ATOM 1235 C ASP A2014 8.468 -5.980 -7.087 1.00 0.00 C ATOM 1236 O ASP A2014 8.406 -5.895 -8.312 1.00 0.00 O ATOM 1237 CB ASP A2014 8.437 -8.160 -5.878 1.00 0.00 C ATOM 1238 CG ASP A2014 8.384 -9.349 -6.829 1.00 0.00 C ATOM 1239 OD1 ASP A2014 8.338 -9.158 -8.064 1.00 0.00 O ATOM 1240 OD2 ASP A2014 8.523 -10.490 -6.325 1.00 0.00 O ATOM 0 H ASP A2014 9.545 -6.470 -4.426 1.00 0.00 H new ATOM 0 HA ASP A2014 10.051 -7.445 -7.131 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.808 -8.488 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.429 -7.776 -5.721 1.00 0.00 H new ATOM 1245 N TYR A2015 7.852 -5.131 -6.259 1.00 0.00 N ATOM 1246 CA TYR A2015 6.943 -4.073 -6.650 1.00 0.00 C ATOM 1247 C TYR A2015 7.324 -2.789 -5.904 1.00 0.00 C ATOM 1248 O TYR A2015 6.763 -2.484 -4.850 1.00 0.00 O ATOM 1249 CB TYR A2015 5.504 -4.518 -6.339 1.00 0.00 C ATOM 1250 CG TYR A2015 5.161 -5.966 -6.628 1.00 0.00 C ATOM 1251 CD1 TYR A2015 5.244 -6.467 -7.938 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.793 -6.823 -5.573 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.909 -7.800 -8.211 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.503 -8.172 -5.834 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.533 -8.660 -7.158 1.00 0.00 C ATOM 1256 OH TYR A2015 4.186 -9.946 -7.408 1.00 0.00 O ATOM 0 H TYR A2015 7.987 -5.173 -5.249 1.00 0.00 H new ATOM 0 HA TYR A2015 7.009 -3.870 -7.719 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.309 -4.326 -5.284 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.822 -3.887 -6.909 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.568 -5.820 -8.740 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.734 -6.443 -4.564 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.939 -8.168 -9.226 1.00 0.00 H new ATOM 0 HE2 TYR A2015 4.256 -8.837 -5.020 1.00 0.00 H new ATOM 0 HH TYR A2015 3.361 -10.162 -6.925 1.00 0.00 H new ATOM 1266 N PRO A2016 8.291 -2.015 -6.411 1.00 0.00 N ATOM 1267 CA PRO A2016 8.708 -0.776 -5.775 1.00 0.00 C ATOM 1268 C PRO A2016 7.666 0.350 -5.893 1.00 0.00 C ATOM 1269 O PRO A2016 7.959 1.421 -5.366 1.00 0.00 O ATOM 1270 CB PRO A2016 10.031 -0.418 -6.454 1.00 0.00 C ATOM 1271 CG PRO A2016 9.831 -0.962 -7.864 1.00 0.00 C ATOM 1272 CD PRO A2016 9.055 -2.252 -7.625 1.00 0.00 C ATOM 0 HA PRO A2016 8.819 -0.904 -4.698 1.00 0.00 H new ATOM 0 HB2 PRO A2016 10.210 0.657 -6.455 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.882 -0.882 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.274 -0.266 -8.490 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.782 -1.149 -8.363 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.399 -2.479 -8.466 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.728 -3.101 -7.508 1.00 0.00 H new ATOM 1280 N THR A2017 6.510 0.167 -6.550 1.00 0.00 N ATOM 1281 CA THR A2017 5.470 1.187 -6.682 1.00 0.00 C ATOM 1282 C THR A2017 4.122 0.600 -6.236 1.00 0.00 C ATOM 1283 O THR A2017 3.927 -0.618 -6.227 1.00 0.00 O ATOM 1284 CB THR A2017 5.403 1.750 -8.109 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.687 0.885 -8.965 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.763 1.980 -8.768 1.00 0.00 C ATOM 0 H THR A2017 6.272 -0.711 -7.011 1.00 0.00 H new ATOM 0 HA THR A2017 5.718 2.028 -6.034 1.00 0.00 H new ATOM 0 HB THR A2017 4.908 2.713 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A2017 4.658 1.268 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.618 2.378 -9.772 1.00 0.00 H new ATOM 0 HG22 THR A2017 7.339 2.691 -8.175 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.303 1.035 -8.827 1.00 0.00 H new ATOM 1294 N LEU A2018 3.162 1.455 -5.877 1.00 0.00 N ATOM 1295 CA LEU A2018 1.827 1.057 -5.402 1.00 0.00 C ATOM 1296 C LEU A2018 1.025 0.349 -6.467 1.00 0.00 C ATOM 1297 O LEU A2018 0.246 -0.539 -6.128 1.00 0.00 O ATOM 1298 CB LEU A2018 0.981 2.287 -5.018 1.00 0.00 C ATOM 1299 CG LEU A2018 1.715 3.224 -4.062 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.037 4.573 -3.972 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.814 2.595 -2.683 1.00 0.00 C ATOM 0 H LEU A2018 3.290 2.466 -5.908 1.00 0.00 H new ATOM 0 HA LEU A2018 2.016 0.402 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.709 2.834 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A2018 0.052 1.955 -4.555 1.00 0.00 H new ATOM 0 HG LEU A2018 2.718 3.382 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.588 5.212 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.016 5.036 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.017 4.444 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.340 3.273 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.812 2.405 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.361 1.655 -2.750 1.00 0.00 H new ATOM 1313 N LEU A2019 1.180 0.754 -7.726 1.00 0.00 N ATOM 1314 CA LEU A2019 0.443 0.163 -8.836 1.00 0.00 C ATOM 1315 C LEU A2019 0.614 -1.349 -8.838 1.00 0.00 C ATOM 1316 O LEU A2019 -0.373 -2.089 -8.864 1.00 0.00 O ATOM 1317 CB LEU A2019 0.896 0.798 -10.160 1.00 0.00 C ATOM 1318 CG LEU A2019 0.373 2.229 -10.326 1.00 0.00 C ATOM 1319 CD1 LEU A2019 1.157 2.930 -11.433 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.131 2.348 -10.579 1.00 0.00 C ATOM 0 H LEU A2019 1.819 1.499 -8.003 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.621 0.367 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.985 0.804 -10.204 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.547 0.187 -10.992 1.00 0.00 H new ATOM 0 HG LEU A2019 0.531 2.717 -9.364 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.786 3.948 -11.553 1.00 0.00 H new ATOM 0 HD12 LEU A2019 2.214 2.957 -11.169 1.00 0.00 H new ATOM 0 HD13 LEU A2019 1.031 2.386 -12.369 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.401 3.399 -10.682 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.389 1.816 -11.494 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -1.676 1.914 -9.741 1.00 0.00 H new ATOM 1332 N GLU A2020 1.858 -1.806 -8.850 1.00 0.00 N ATOM 1333 CA GLU A2020 2.195 -3.217 -8.838 1.00 0.00 C ATOM 1334 C GLU A2020 2.003 -3.832 -7.448 1.00 0.00 C ATOM 1335 O GLU A2020 1.514 -4.961 -7.354 1.00 0.00 O ATOM 1336 CB GLU A2020 3.580 -3.475 -9.445 1.00 0.00 C ATOM 1337 CG GLU A2020 4.592 -2.338 -9.286 1.00 0.00 C ATOM 1338 CD GLU A2020 5.917 -2.591 -10.009 1.00 0.00 C ATOM 1339 OE1 GLU A2020 6.127 -3.687 -10.587 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.731 -1.644 -10.075 1.00 0.00 O ATOM 0 H GLU A2020 2.674 -1.194 -8.869 1.00 0.00 H new ATOM 0 HA GLU A2020 1.491 -3.737 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.995 -4.374 -8.989 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.458 -3.684 -10.508 1.00 0.00 H new ATOM 0 HG2 GLU A2020 4.152 -1.415 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.790 -2.185 -8.225 1.00 0.00 H new ATOM 1347 N LEU A2021 2.329 -3.107 -6.369 1.00 0.00 N ATOM 1348 CA LEU A2021 2.192 -3.615 -5.003 1.00 0.00 C ATOM 1349 C LEU A2021 0.740 -4.019 -4.728 1.00 0.00 C ATOM 1350 O LEU A2021 0.469 -5.142 -4.311 1.00 0.00 O ATOM 1351 CB LEU A2021 2.668 -2.577 -3.979 1.00 0.00 C ATOM 1352 CG LEU A2021 3.059 -3.213 -2.626 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.560 -3.495 -2.563 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.765 -2.241 -1.490 1.00 0.00 C ATOM 0 H LEU A2021 2.693 -2.156 -6.421 1.00 0.00 H new ATOM 0 HA LEU A2021 2.824 -4.498 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.525 -2.039 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.878 -1.843 -3.817 1.00 0.00 H new ATOM 0 HG LEU A2021 2.487 -4.136 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.806 -3.942 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.835 -4.182 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.111 -2.562 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.043 -2.697 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.340 -1.326 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.701 -2.003 -1.481 1.00 0.00 H new ATOM 1366 N SER A2022 -0.184 -3.089 -4.972 1.00 0.00 N ATOM 1367 CA SER A2022 -1.616 -3.238 -4.778 1.00 0.00 C ATOM 1368 C SER A2022 -2.179 -4.385 -5.607 1.00 0.00 C ATOM 1369 O SER A2022 -3.029 -5.136 -5.127 1.00 0.00 O ATOM 1370 CB SER A2022 -2.291 -1.926 -5.197 1.00 0.00 C ATOM 1371 OG SER A2022 -3.602 -1.881 -4.704 1.00 0.00 O ATOM 0 H SER A2022 0.065 -2.166 -5.328 1.00 0.00 H new ATOM 0 HA SER A2022 -1.810 -3.464 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A2022 -1.722 -1.078 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.300 -1.843 -6.284 1.00 0.00 H new ATOM 0 HG SER A2022 -4.216 -1.644 -5.430 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.704 -4.499 -6.849 1.00 0.00 N ATOM 1378 CA GLY A2023 -2.128 -5.511 -7.798 1.00 0.00 C ATOM 1379 C GLY A2023 -1.963 -6.895 -7.207 1.00 0.00 C ATOM 1380 O GLY A2023 -2.896 -7.697 -7.215 1.00 0.00 O ATOM 0 H GLY A2023 -0.995 -3.869 -7.225 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.171 -5.348 -8.071 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.542 -5.428 -8.713 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.777 -7.154 -6.661 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.481 -8.433 -6.057 1.00 0.00 C ATOM 1386 C TYR A2024 -1.351 -8.648 -4.822 1.00 0.00 C ATOM 1387 O TYR A2024 -2.059 -9.645 -4.764 1.00 0.00 O ATOM 1388 CB TYR A2024 1.017 -8.506 -5.728 1.00 0.00 C ATOM 1389 CG TYR A2024 1.476 -9.844 -5.183 1.00 0.00 C ATOM 1390 CD1 TYR A2024 1.240 -11.011 -5.934 1.00 0.00 C ATOM 1391 CD2 TYR A2024 2.157 -9.930 -3.951 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.686 -12.257 -5.468 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.614 -11.176 -3.488 1.00 0.00 C ATOM 1394 CZ TYR A2024 2.381 -12.344 -4.244 1.00 0.00 C ATOM 1395 OH TYR A2024 2.838 -13.541 -3.786 1.00 0.00 O ATOM 0 H TYR A2024 -0.007 -6.485 -6.629 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.712 -9.237 -6.756 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.586 -8.281 -6.630 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.254 -7.730 -5.000 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.713 -10.947 -6.874 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.327 -9.040 -3.364 1.00 0.00 H new ATOM 0 HE1 TYR A2024 1.497 -13.149 -6.047 1.00 0.00 H new ATOM 0 HE2 TYR A2024 3.145 -11.239 -2.550 1.00 0.00 H new ATOM 0 HH TYR A2024 3.294 -13.411 -2.928 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.360 -7.712 -3.866 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.140 -7.816 -2.626 1.00 0.00 C ATOM 1407 C ILE A2025 -3.592 -8.170 -2.903 1.00 0.00 C ATOM 1408 O ILE A2025 -4.110 -9.088 -2.264 1.00 0.00 O ATOM 1409 CB ILE A2025 -2.052 -6.490 -1.836 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.601 -6.256 -1.366 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -3.004 -6.426 -0.620 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.440 -4.953 -0.584 1.00 0.00 C ATOM 0 H ILE A2025 -0.819 -6.850 -3.932 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.714 -8.622 -2.028 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.368 -5.704 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.286 -7.092 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.060 -6.239 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.886 -5.467 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -4.034 -6.534 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.764 -7.232 0.073 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.600 -4.839 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.727 -4.112 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -1.078 -4.978 0.299 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.239 -7.450 -3.819 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.626 -7.686 -4.157 1.00 0.00 C ATOM 1426 C ALA A2026 -5.850 -9.160 -4.527 1.00 0.00 C ATOM 1427 O ALA A2026 -6.872 -9.728 -4.146 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.037 -6.703 -5.262 1.00 0.00 C ATOM 0 H ALA A2026 -3.808 -6.688 -4.343 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.270 -7.502 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.081 -6.869 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.912 -5.681 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.410 -6.860 -6.140 1.00 0.00 H new ATOM 1434 N GLN A2027 -4.909 -9.794 -5.238 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.024 -11.196 -5.643 1.00 0.00 C ATOM 1436 C GLN A2027 -4.916 -12.117 -4.424 1.00 0.00 C ATOM 1437 O GLN A2027 -5.660 -13.095 -4.341 1.00 0.00 O ATOM 1438 CB GLN A2027 -3.940 -11.609 -6.661 1.00 0.00 C ATOM 1439 CG GLN A2027 -3.994 -10.901 -8.022 1.00 0.00 C ATOM 1440 CD GLN A2027 -5.140 -11.381 -8.912 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -5.216 -12.552 -9.290 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -6.028 -10.487 -9.304 1.00 0.00 N ATOM 0 H GLN A2027 -4.046 -9.347 -5.548 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.000 -11.298 -6.117 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -2.962 -11.425 -6.216 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.017 -12.683 -6.829 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -4.094 -9.828 -7.861 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -3.049 -11.058 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -5.955 -9.521 -8.984 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -6.788 -10.762 -9.926 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.025 -11.809 -3.477 1.00 0.00 N ATOM 1452 CA ILE A2028 -3.795 -12.609 -2.277 1.00 0.00 C ATOM 1453 C ILE A2028 -5.058 -12.658 -1.438 1.00 0.00 C ATOM 1454 O ILE A2028 -5.543 -13.748 -1.137 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.642 -12.038 -1.424 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.379 -11.783 -2.248 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.299 -12.978 -0.252 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.282 -11.079 -1.454 1.00 0.00 C ATOM 0 H ILE A2028 -3.433 -10.980 -3.527 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.519 -13.613 -2.599 1.00 0.00 H new ATOM 0 HB ILE A2028 -2.996 -11.083 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -0.997 -12.733 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.635 -11.179 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.484 -12.550 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.175 -13.100 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -1.995 -13.950 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.588 -10.926 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.649 -10.114 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.001 -11.693 -0.599 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.615 -11.500 -1.070 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.830 -11.487 -0.261 1.00 0.00 C ATOM 1472 C LEU A2029 -7.983 -12.110 -1.052 1.00 0.00 C ATOM 1473 O LEU A2029 -8.836 -12.792 -0.487 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.135 -10.103 0.315 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.218 -8.926 -0.664 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.600 -8.769 -1.306 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.868 -7.656 0.097 1.00 0.00 C ATOM 0 H LEU A2029 -5.251 -10.579 -1.315 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.677 -12.108 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -8.084 -10.163 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.368 -9.871 1.054 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.519 -9.118 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.590 -7.918 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.849 -9.674 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.346 -8.602 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.920 -6.802 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.575 -7.516 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.859 -7.740 0.500 1.00 0.00 H new ATOM 1489 N SER A2030 -7.960 -11.956 -2.379 1.00 0.00 N ATOM 1490 CA SER A2030 -8.981 -12.515 -3.266 1.00 0.00 C ATOM 1491 C SER A2030 -8.888 -14.052 -3.294 1.00 0.00 C ATOM 1492 O SER A2030 -9.830 -14.734 -3.702 1.00 0.00 O ATOM 1493 CB SER A2030 -8.816 -11.871 -4.649 1.00 0.00 C ATOM 1494 OG SER A2030 -9.532 -12.500 -5.683 1.00 0.00 O ATOM 0 H SER A2030 -7.230 -11.438 -2.869 1.00 0.00 H new ATOM 0 HA SER A2030 -9.983 -12.288 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A2030 -9.132 -10.830 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A2030 -7.757 -11.868 -4.909 1.00 0.00 H new ATOM 0 HG SER A2030 -9.372 -12.027 -6.526 1.00 0.00 H new ATOM 1500 N SER A2031 -7.760 -14.604 -2.853 1.00 0.00 N ATOM 1501 CA SER A2031 -7.460 -16.026 -2.776 1.00 0.00 C ATOM 1502 C SER A2031 -7.746 -16.553 -1.365 1.00 0.00 C ATOM 1503 O SER A2031 -7.799 -17.763 -1.149 1.00 0.00 O ATOM 1504 CB SER A2031 -6.004 -16.189 -3.216 1.00 0.00 C ATOM 1505 OG SER A2031 -5.472 -17.484 -3.016 1.00 0.00 O ATOM 0 H SER A2031 -6.984 -14.031 -2.520 1.00 0.00 H new ATOM 0 HA SER A2031 -8.093 -16.623 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A2031 -5.927 -15.938 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.391 -15.470 -2.672 1.00 0.00 H new ATOM 0 HG SER A2031 -4.542 -17.506 -3.323 1.00 0.00 H new