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= 0.97 K(o=3.1,f=1.7) USER MOD Set 1.2: A2002 THR OG1 : rot 90:sc= 2.11 USER MOD Single : A1955 SER OG : rot 35:sc= 0.169 USER MOD Single : A1958 LYS NZ :NH3+ 170:sc= 1.19 (180deg=1.13) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A1962 LYS NZ :NH3+ -172:sc= 0.96 (180deg=0.923) USER MOD Single : A1963 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 180:sc= 0.081 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= 0.351 K(o=0.35,f=-7.9!) 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 -110:sc= 0 USER MOD Single : A1997 THR OG1 : rot 74:sc= 0.16 USER MOD Single : A1998 THR OG1 : rot 75:sc= 0.341 USER MOD Single : A2000 ASN : amide:sc= -0.314 K(o=-0.31,f=-7!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2003 TYR OH : rot 150:sc= 0 USER MOD Single : A2004 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2006 ASN : amide:sc= 0 X(o=0,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+ 172:sc= 0 (180deg=-0.0159) USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2015 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot -97:sc= 0.37 USER MOD Single : A2022 SER OG : rot -89:sc= 1.26 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A2030 SER OG : rot 94:sc= 0.172 USER MOD Single : A2031 SER OG : rot -45:sc= 0.0152 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -7.974 0.001 -6.153 1.00 0.00 N ATOM 286 CA SER A1955 -7.739 1.422 -5.962 1.00 0.00 C ATOM 287 C SER A1955 -7.735 1.791 -4.483 1.00 0.00 C ATOM 288 O SER A1955 -6.979 2.681 -4.111 1.00 0.00 O ATOM 289 CB SER A1955 -8.771 2.238 -6.740 1.00 0.00 C ATOM 290 OG SER A1955 -8.850 1.808 -8.094 1.00 0.00 O ATOM 0 HA SER A1955 -6.750 1.662 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A1955 -9.748 2.140 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A1955 -8.504 3.294 -6.706 1.00 0.00 H new ATOM 0 HG SER A1955 -8.704 0.840 -8.139 1.00 0.00 H new ATOM 296 N GLU A1956 -8.569 1.135 -3.665 1.00 0.00 N ATOM 297 CA GLU A1956 -8.642 1.385 -2.229 1.00 0.00 C ATOM 298 C GLU A1956 -7.278 1.033 -1.637 1.00 0.00 C ATOM 299 O GLU A1956 -6.696 1.827 -0.904 1.00 0.00 O ATOM 300 CB GLU A1956 -9.726 0.522 -1.565 1.00 0.00 C ATOM 301 CG GLU A1956 -11.146 1.024 -1.831 1.00 0.00 C ATOM 302 CD GLU A1956 -11.616 1.988 -0.731 1.00 0.00 C ATOM 303 OE1 GLU A1956 -11.126 3.135 -0.700 1.00 0.00 O ATOM 304 OE2 GLU A1956 -12.428 1.585 0.132 1.00 0.00 O ATOM 0 H GLU A1956 -9.213 0.413 -3.988 1.00 0.00 H new ATOM 0 HA GLU A1956 -8.899 2.429 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.637 -0.503 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -9.552 0.497 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.180 1.528 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -11.828 0.176 -1.889 1.00 0.00 H new ATOM 311 N ILE A1957 -6.731 -0.137 -1.992 1.00 0.00 N ATOM 312 CA ILE A1957 -5.431 -0.549 -1.489 1.00 0.00 C ATOM 313 C ILE A1957 -4.408 0.467 -1.961 1.00 0.00 C ATOM 314 O ILE A1957 -3.679 1.025 -1.154 1.00 0.00 O ATOM 315 CB ILE A1957 -5.078 -1.946 -2.020 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.107 -2.971 -1.533 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.663 -2.399 -1.620 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.151 -4.144 -2.510 1.00 0.00 C ATOM 0 H ILE A1957 -7.172 -0.806 -2.623 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.442 -0.596 -0.400 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.099 -1.883 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -5.843 -3.323 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.091 -2.508 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.471 -3.393 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -2.930 -1.698 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.584 -2.428 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -6.882 -4.876 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.435 -3.784 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.167 -4.611 -2.562 1.00 0.00 H new ATOM 330 N LYS A1958 -4.355 0.738 -3.264 1.00 0.00 N ATOM 331 CA LYS A1958 -3.397 1.664 -3.836 1.00 0.00 C ATOM 332 C LYS A1958 -3.329 3.005 -3.110 1.00 0.00 C ATOM 333 O LYS A1958 -2.227 3.472 -2.804 1.00 0.00 O ATOM 334 CB LYS A1958 -3.705 1.839 -5.324 1.00 0.00 C ATOM 335 CG LYS A1958 -2.650 2.735 -5.972 1.00 0.00 C ATOM 336 CD LYS A1958 -2.780 2.783 -7.484 1.00 0.00 C ATOM 337 CE LYS A1958 -4.099 3.397 -7.956 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.042 3.745 -9.388 1.00 0.00 N ATOM 0 H LYS A1958 -4.981 0.316 -3.950 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.403 1.233 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -3.722 0.867 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -4.695 2.278 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.738 3.744 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -1.657 2.372 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -1.951 3.359 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -2.694 1.772 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -4.914 2.694 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.318 4.290 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -4.994 3.999 -9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -3.400 4.552 -9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -3.692 2.929 -9.930 1.00 0.00 H new ATOM 352 N GLN A1959 -4.468 3.655 -2.879 1.00 0.00 N ATOM 353 CA GLN A1959 -4.451 4.938 -2.193 1.00 0.00 C ATOM 354 C GLN A1959 -4.011 4.764 -0.728 1.00 0.00 C ATOM 355 O GLN A1959 -3.211 5.572 -0.258 1.00 0.00 O ATOM 356 CB GLN A1959 -5.793 5.680 -2.342 1.00 0.00 C ATOM 357 CG GLN A1959 -6.963 4.936 -1.695 1.00 0.00 C ATOM 358 CD GLN A1959 -8.347 5.427 -2.094 1.00 0.00 C ATOM 359 OE1 GLN A1959 -8.647 5.680 -3.261 1.00 0.00 O ATOM 360 NE2 GLN A1959 -9.235 5.482 -1.126 1.00 0.00 N ATOM 0 H GLN A1959 -5.393 3.321 -3.151 1.00 0.00 H new ATOM 0 HA GLN A1959 -3.708 5.577 -2.670 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -5.706 6.670 -1.893 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.005 5.828 -3.401 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -6.884 3.879 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -6.867 5.013 -0.612 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -8.959 5.267 -0.168 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -10.200 5.739 -1.333 1.00 0.00 H new ATOM 369 N VAL A1960 -4.465 3.711 -0.028 1.00 0.00 N ATOM 370 CA VAL A1960 -4.107 3.477 1.369 1.00 0.00 C ATOM 371 C VAL A1960 -2.606 3.265 1.468 1.00 0.00 C ATOM 372 O VAL A1960 -1.937 3.880 2.294 1.00 0.00 O ATOM 373 CB VAL A1960 -4.845 2.256 1.952 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.249 1.815 3.305 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.317 2.595 2.150 1.00 0.00 C ATOM 0 H VAL A1960 -5.088 3.004 -0.419 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.406 4.350 1.949 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.731 1.435 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.798 0.952 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.201 1.548 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.326 2.634 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.837 1.730 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.407 3.435 2.838 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.761 2.862 1.191 1.00 0.00 H new ATOM 385 N LEU A1961 -2.060 2.404 0.604 1.00 0.00 N ATOM 386 CA LEU A1961 -0.653 2.084 0.564 1.00 0.00 C ATOM 387 C LEU A1961 0.142 3.367 0.551 1.00 0.00 C ATOM 388 O LEU A1961 1.090 3.486 1.324 1.00 0.00 O ATOM 389 CB LEU A1961 -0.281 1.321 -0.711 1.00 0.00 C ATOM 390 CG LEU A1961 -0.679 -0.144 -0.799 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.245 -0.655 -2.175 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.111 -0.967 0.355 1.00 0.00 C ATOM 0 H LEU A1961 -2.607 1.905 -0.098 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.433 1.469 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.730 1.842 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.800 1.383 -0.836 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.759 -0.251 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.515 -1.706 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.745 -0.077 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.835 -0.546 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.422 -2.006 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.977 -0.911 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.482 -0.572 1.301 1.00 0.00 H new ATOM 404 N LYS A1962 -0.228 4.305 -0.324 1.00 0.00 N ATOM 405 CA LYS A1962 0.442 5.578 -0.462 1.00 0.00 C ATOM 406 C LYS A1962 0.540 6.267 0.888 1.00 0.00 C ATOM 407 O LYS A1962 1.629 6.664 1.286 1.00 0.00 O ATOM 408 CB LYS A1962 -0.309 6.448 -1.480 1.00 0.00 C ATOM 409 CG LYS A1962 0.663 7.465 -2.072 1.00 0.00 C ATOM 410 CD LYS A1962 -0.013 8.470 -3.000 1.00 0.00 C ATOM 411 CE LYS A1962 -0.460 7.922 -4.339 1.00 0.00 C ATOM 412 NZ LYS A1962 -1.864 7.442 -4.316 1.00 0.00 N ATOM 0 H LYS A1962 -1.015 4.189 -0.962 1.00 0.00 H new ATOM 0 HA LYS A1962 1.456 5.419 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -0.731 5.826 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.142 6.959 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A1962 1.155 8.002 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.441 6.937 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -0.882 8.884 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.676 9.296 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.357 8.697 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A1962 0.196 7.102 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.079 6.955 -5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -1.992 6.782 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.506 8.252 -4.200 1.00 0.00 H new ATOM 426 N GLN A1963 -0.588 6.385 1.582 1.00 0.00 N ATOM 427 CA GLN A1963 -0.676 7.030 2.878 1.00 0.00 C ATOM 428 C GLN A1963 0.166 6.330 3.943 1.00 0.00 C ATOM 429 O GLN A1963 0.772 6.986 4.778 1.00 0.00 O ATOM 430 CB GLN A1963 -2.169 7.161 3.264 1.00 0.00 C ATOM 431 CG GLN A1963 -2.662 6.334 4.460 1.00 0.00 C ATOM 432 CD GLN A1963 -4.174 6.454 4.630 1.00 0.00 C ATOM 433 OE1 GLN A1963 -4.934 6.099 3.730 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.646 6.962 5.755 1.00 0.00 N ATOM 0 H GLN A1963 -1.482 6.026 1.248 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.245 8.029 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.372 8.211 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -2.767 6.887 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.392 5.288 4.318 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.164 6.671 5.369 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -4.004 7.252 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.652 7.064 5.886 1.00 0.00 H new ATOM 443 N GLN A1964 0.237 4.999 3.914 1.00 0.00 N ATOM 444 CA GLN A1964 0.978 4.242 4.919 1.00 0.00 C ATOM 445 C GLN A1964 2.472 4.435 4.739 1.00 0.00 C ATOM 446 O GLN A1964 3.246 4.525 5.686 1.00 0.00 O ATOM 447 CB GLN A1964 0.582 2.759 4.838 1.00 0.00 C ATOM 448 CG GLN A1964 -0.921 2.579 5.112 1.00 0.00 C ATOM 449 CD GLN A1964 -1.217 1.558 6.202 1.00 0.00 C ATOM 450 OE1 GLN A1964 -0.694 1.619 7.315 1.00 0.00 O ATOM 451 NE2 GLN A1964 -2.015 0.565 5.865 1.00 0.00 N ATOM 0 H GLN A1964 -0.212 4.423 3.202 1.00 0.00 H new ATOM 0 HA GLN A1964 0.724 4.611 5.913 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.826 2.366 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A1964 1.160 2.184 5.562 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.349 3.540 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.417 2.271 4.191 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -2.434 0.541 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -2.213 -0.179 6.534 1.00 0.00 H new ATOM 460 N LEU A1965 2.876 4.443 3.480 1.00 0.00 N ATOM 461 CA LEU A1965 4.253 4.619 3.066 1.00 0.00 C ATOM 462 C LEU A1965 4.680 6.062 3.301 1.00 0.00 C ATOM 463 O LEU A1965 5.835 6.291 3.634 1.00 0.00 O ATOM 464 CB LEU A1965 4.339 4.217 1.587 1.00 0.00 C ATOM 465 CG LEU A1965 4.977 5.217 0.628 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.495 5.183 0.747 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.652 4.932 -0.828 1.00 0.00 C ATOM 0 H LEU A1965 2.234 4.323 2.696 1.00 0.00 H new ATOM 0 HA LEU A1965 4.933 3.995 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A1965 4.898 3.284 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.329 4.008 1.235 1.00 0.00 H new ATOM 0 HG LEU A1965 4.568 6.187 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.930 5.903 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.786 5.438 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.857 4.183 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A1965 5.134 5.677 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A1965 5.016 3.940 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.573 4.975 -0.975 1.00 0.00 H new ATOM 479 N ALA A1966 3.767 7.022 3.131 1.00 0.00 N ATOM 480 CA ALA A1966 4.080 8.420 3.310 1.00 0.00 C ATOM 481 C ALA A1966 4.666 8.631 4.694 1.00 0.00 C ATOM 482 O ALA A1966 5.754 9.169 4.854 1.00 0.00 O ATOM 483 CB ALA A1966 2.823 9.260 3.099 1.00 0.00 C ATOM 0 H ALA A1966 2.799 6.841 2.867 1.00 0.00 H new ATOM 0 HA ALA A1966 4.820 8.736 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A1966 3.063 10.315 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.445 9.101 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A1966 2.063 8.965 3.822 1.00 0.00 H new ATOM 489 N GLU A1967 3.984 8.111 5.700 1.00 0.00 N ATOM 490 CA GLU A1967 4.435 8.252 7.067 1.00 0.00 C ATOM 491 C GLU A1967 5.751 7.515 7.291 1.00 0.00 C ATOM 492 O GLU A1967 6.613 7.981 8.036 1.00 0.00 O ATOM 493 CB GLU A1967 3.348 7.727 7.992 1.00 0.00 C ATOM 494 CG GLU A1967 2.040 8.442 7.680 1.00 0.00 C ATOM 495 CD GLU A1967 1.027 8.385 8.821 1.00 0.00 C ATOM 496 OE1 GLU A1967 1.391 8.695 9.978 1.00 0.00 O ATOM 497 OE2 GLU A1967 -0.145 8.035 8.532 1.00 0.00 O ATOM 0 H GLU A1967 3.115 7.587 5.592 1.00 0.00 H new ATOM 0 HA GLU A1967 4.621 9.304 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A1967 3.229 6.652 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.628 7.892 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A1967 2.252 9.485 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.596 7.999 6.789 1.00 0.00 H new ATOM 504 N ALA A1968 5.910 6.371 6.625 1.00 0.00 N ATOM 505 CA ALA A1968 7.106 5.539 6.706 1.00 0.00 C ATOM 506 C ALA A1968 8.329 6.284 6.157 1.00 0.00 C ATOM 507 O ALA A1968 9.459 6.004 6.555 1.00 0.00 O ATOM 508 CB ALA A1968 6.888 4.236 5.931 1.00 0.00 C ATOM 0 H ALA A1968 5.196 5.991 6.003 1.00 0.00 H new ATOM 0 HA ALA A1968 7.294 5.305 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.785 3.620 5.996 1.00 0.00 H new ATOM 0 HB2 ALA A1968 6.044 3.695 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.680 4.465 4.886 1.00 0.00 H new ATOM 514 N LEU A1969 8.112 7.225 5.232 1.00 0.00 N ATOM 515 CA LEU A1969 9.157 8.035 4.621 1.00 0.00 C ATOM 516 C LEU A1969 9.115 9.474 5.159 1.00 0.00 C ATOM 517 O LEU A1969 9.729 10.358 4.558 1.00 0.00 O ATOM 518 CB LEU A1969 9.078 8.024 3.085 1.00 0.00 C ATOM 519 CG LEU A1969 9.236 6.661 2.404 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.482 6.878 0.906 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.412 5.843 2.940 1.00 0.00 C ATOM 0 H LEU A1969 7.179 7.446 4.883 1.00 0.00 H new ATOM 0 HA LEU A1969 10.112 7.587 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A1969 8.117 8.444 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.849 8.690 2.699 1.00 0.00 H new ATOM 0 HG LEU A1969 8.318 6.109 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.596 5.913 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.636 7.410 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A1969 10.390 7.465 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.463 4.891 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.339 6.394 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.273 5.660 4.006 1.00 0.00 H new ATOM 533 N TYR A1970 8.403 9.718 6.268 1.00 0.00 N ATOM 534 CA TYR A1970 8.252 11.020 6.916 1.00 0.00 C ATOM 535 C TYR A1970 7.816 12.096 5.905 1.00 0.00 C ATOM 536 O TYR A1970 8.360 13.202 5.881 1.00 0.00 O ATOM 537 CB TYR A1970 9.556 11.373 7.660 1.00 0.00 C ATOM 538 CG TYR A1970 10.095 10.292 8.579 1.00 0.00 C ATOM 539 CD1 TYR A1970 9.621 10.192 9.900 1.00 0.00 C ATOM 540 CD2 TYR A1970 11.082 9.398 8.117 1.00 0.00 C ATOM 541 CE1 TYR A1970 10.141 9.211 10.762 1.00 0.00 C ATOM 542 CE2 TYR A1970 11.591 8.403 8.969 1.00 0.00 C ATOM 543 CZ TYR A1970 11.124 8.312 10.297 1.00 0.00 C ATOM 544 OH TYR A1970 11.633 7.382 11.147 1.00 0.00 O ATOM 0 H TYR A1970 7.897 8.979 6.756 1.00 0.00 H new ATOM 0 HA TYR A1970 7.454 10.975 7.657 1.00 0.00 H new ATOM 0 HB2 TYR A1970 10.321 11.614 6.922 1.00 0.00 H new ATOM 0 HB3 TYR A1970 9.386 12.275 8.248 1.00 0.00 H new ATOM 0 HD1 TYR A1970 8.857 10.869 10.252 1.00 0.00 H new ATOM 0 HD2 TYR A1970 11.449 9.478 7.104 1.00 0.00 H new ATOM 0 HE1 TYR A1970 9.788 9.145 11.781 1.00 0.00 H new ATOM 0 HE2 TYR A1970 12.337 7.710 8.608 1.00 0.00 H new ATOM 0 HH TYR A1970 12.299 6.838 10.676 1.00 0.00 H new ATOM 554 N THR A1971 6.831 11.781 5.068 1.00 0.00 N ATOM 555 CA THR A1971 6.304 12.650 4.022 1.00 0.00 C ATOM 556 C THR A1971 4.779 12.520 3.956 1.00 0.00 C ATOM 557 O THR A1971 4.133 11.953 4.846 1.00 0.00 O ATOM 558 CB THR A1971 7.028 12.263 2.711 1.00 0.00 C ATOM 559 OG1 THR A1971 6.884 13.235 1.695 1.00 0.00 O ATOM 560 CG2 THR A1971 6.536 10.926 2.142 1.00 0.00 C ATOM 0 H THR A1971 6.360 10.877 5.102 1.00 0.00 H new ATOM 0 HA THR A1971 6.492 13.705 4.219 1.00 0.00 H new ATOM 0 HB THR A1971 8.077 12.185 2.996 1.00 0.00 H new ATOM 0 HG1 THR A1971 7.361 12.941 0.891 1.00 0.00 H new ATOM 0 HG21 THR A1971 7.076 10.701 1.222 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.713 10.134 2.870 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.469 10.992 1.929 1.00 0.00 H new ATOM 568 N GLU A1972 4.193 13.071 2.894 1.00 0.00 N ATOM 569 CA GLU A1972 2.774 13.036 2.634 1.00 0.00 C ATOM 570 C GLU A1972 2.509 12.323 1.315 1.00 0.00 C ATOM 571 O GLU A1972 3.241 12.467 0.340 1.00 0.00 O ATOM 572 CB GLU A1972 2.172 14.447 2.645 1.00 0.00 C ATOM 573 CG GLU A1972 2.588 15.341 1.461 1.00 0.00 C ATOM 574 CD GLU A1972 1.891 16.699 1.454 1.00 0.00 C ATOM 575 OE1 GLU A1972 0.746 16.811 1.947 1.00 0.00 O ATOM 576 OE2 GLU A1972 2.476 17.685 0.945 1.00 0.00 O ATOM 0 H GLU A1972 4.719 13.567 2.174 1.00 0.00 H new ATOM 0 HA GLU A1972 2.284 12.477 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A1972 1.085 14.362 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A1972 2.460 14.941 3.573 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.667 15.494 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A1972 2.367 14.822 0.528 1.00 0.00 H new ATOM 583 N GLU A1973 1.418 11.567 1.264 1.00 0.00 N ATOM 584 CA GLU A1973 1.002 10.848 0.066 1.00 0.00 C ATOM 585 C GLU A1973 0.659 11.816 -1.056 1.00 0.00 C ATOM 586 O GLU A1973 0.621 11.434 -2.225 1.00 0.00 O ATOM 587 CB GLU A1973 -0.160 9.907 0.378 1.00 0.00 C ATOM 588 CG GLU A1973 -1.311 10.439 1.233 1.00 0.00 C ATOM 589 CD GLU A1973 -2.417 11.070 0.387 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.319 10.310 -0.042 1.00 0.00 O ATOM 591 OE2 GLU A1973 -2.418 12.310 0.225 1.00 0.00 O ATOM 0 H GLU A1973 0.793 11.435 2.059 1.00 0.00 H new ATOM 0 HA GLU A1973 1.836 10.237 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -0.578 9.569 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A1973 0.248 9.029 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -1.729 9.624 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -0.927 11.178 1.936 1.00 0.00 H new ATOM 598 N SER A1974 0.406 13.071 -0.708 1.00 0.00 N ATOM 599 CA SER A1974 0.078 14.085 -1.676 1.00 0.00 C ATOM 600 C SER A1974 1.244 14.325 -2.648 1.00 0.00 C ATOM 601 O SER A1974 1.013 14.886 -3.719 1.00 0.00 O ATOM 602 CB SER A1974 -0.323 15.371 -0.945 1.00 0.00 C ATOM 603 OG SER A1974 -1.414 15.988 -1.597 1.00 0.00 O ATOM 0 H SER A1974 0.425 13.405 0.256 1.00 0.00 H new ATOM 0 HA SER A1974 -0.766 13.746 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A1974 -0.590 15.142 0.087 1.00 0.00 H new ATOM 0 HB3 SER A1974 0.524 16.057 -0.911 1.00 0.00 H new ATOM 0 HG SER A1974 -1.660 16.807 -1.118 1.00 0.00 H new ATOM 609 N GLU A1975 2.474 13.899 -2.320 1.00 0.00 N ATOM 610 CA GLU A1975 3.647 14.073 -3.184 1.00 0.00 C ATOM 611 C GLU A1975 4.230 12.749 -3.697 1.00 0.00 C ATOM 612 O GLU A1975 5.290 12.736 -4.321 1.00 0.00 O ATOM 613 CB GLU A1975 4.690 14.958 -2.482 1.00 0.00 C ATOM 614 CG GLU A1975 5.263 14.371 -1.186 1.00 0.00 C ATOM 615 CD GLU A1975 6.615 15.002 -0.870 1.00 0.00 C ATOM 616 OE1 GLU A1975 7.638 14.539 -1.425 1.00 0.00 O ATOM 617 OE2 GLU A1975 6.686 15.950 -0.058 1.00 0.00 O ATOM 0 H GLU A1975 2.681 13.422 -1.443 1.00 0.00 H new ATOM 0 HA GLU A1975 3.319 14.588 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A1975 5.511 15.146 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU A1975 4.235 15.923 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A1975 4.571 14.547 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A1975 5.373 13.291 -1.285 1.00 0.00 H new ATOM 624 N ILE A1976 3.540 11.630 -3.478 1.00 0.00 N ATOM 625 CA ILE A1976 4.001 10.311 -3.894 1.00 0.00 C ATOM 626 C ILE A1976 3.292 9.888 -5.173 1.00 0.00 C ATOM 627 O ILE A1976 2.062 9.960 -5.259 1.00 0.00 O ATOM 628 CB ILE A1976 3.747 9.316 -2.749 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.525 9.752 -1.496 1.00 0.00 C ATOM 630 CG2 ILE A1976 4.051 7.854 -3.136 1.00 0.00 C ATOM 631 CD1 ILE A1976 4.260 8.816 -0.329 1.00 0.00 C ATOM 0 H ILE A1976 2.638 11.616 -3.002 1.00 0.00 H new ATOM 0 HA ILE A1976 5.070 10.334 -4.108 1.00 0.00 H new ATOM 0 HB ILE A1976 2.680 9.337 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.592 9.770 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A1976 4.239 10.768 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.851 7.203 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A1976 3.418 7.560 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A1976 5.099 7.764 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.824 9.151 0.541 1.00 0.00 H new ATOM 0 HD12 ILE A1976 3.195 8.819 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.570 7.806 -0.595 1.00 0.00 H new ATOM 643 N ALA A1977 4.062 9.462 -6.171 1.00 0.00 N ATOM 644 CA ALA A1977 3.528 8.986 -7.437 1.00 0.00 C ATOM 645 C ALA A1977 3.204 7.503 -7.261 1.00 0.00 C ATOM 646 O ALA A1977 3.781 6.816 -6.418 1.00 0.00 O ATOM 647 CB ALA A1977 4.515 9.235 -8.575 1.00 0.00 C ATOM 0 H ALA A1977 5.080 9.439 -6.120 1.00 0.00 H new ATOM 0 HA ALA A1977 2.622 9.528 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A1977 4.091 8.870 -9.511 1.00 0.00 H new ATOM 0 HB2 ALA A1977 4.712 10.304 -8.659 1.00 0.00 H new ATOM 0 HB3 ALA A1977 5.447 8.709 -8.369 1.00 0.00 H new ATOM 653 N GLU A1978 2.307 6.973 -8.088 1.00 0.00 N ATOM 654 CA GLU A1978 1.900 5.573 -7.978 1.00 0.00 C ATOM 655 C GLU A1978 2.792 4.609 -8.738 1.00 0.00 C ATOM 656 O GLU A1978 2.858 3.428 -8.397 1.00 0.00 O ATOM 657 CB GLU A1978 0.433 5.436 -8.399 1.00 0.00 C ATOM 658 CG GLU A1978 -0.447 6.458 -7.670 1.00 0.00 C ATOM 659 CD GLU A1978 -1.929 6.151 -7.804 1.00 0.00 C ATOM 660 OE1 GLU A1978 -2.396 5.893 -8.938 1.00 0.00 O ATOM 661 OE2 GLU A1978 -2.610 6.175 -6.751 1.00 0.00 O ATOM 0 H GLU A1978 1.849 7.489 -8.839 1.00 0.00 H new ATOM 0 HA GLU A1978 2.012 5.287 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A1978 0.346 5.579 -9.476 1.00 0.00 H new ATOM 0 HB3 GLU A1978 0.081 4.427 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.177 6.477 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.248 7.453 -8.068 1.00 0.00 H new ATOM 668 N ASP A1979 3.485 5.142 -9.734 1.00 0.00 N ATOM 669 CA ASP A1979 4.422 4.495 -10.639 1.00 0.00 C ATOM 670 C ASP A1979 5.865 4.867 -10.305 1.00 0.00 C ATOM 671 O ASP A1979 6.761 4.549 -11.086 1.00 0.00 O ATOM 672 CB ASP A1979 4.073 4.870 -12.085 1.00 0.00 C ATOM 673 CG ASP A1979 4.100 6.372 -12.339 1.00 0.00 C ATOM 674 OD1 ASP A1979 3.111 7.044 -11.966 1.00 0.00 O ATOM 675 OD2 ASP A1979 5.040 6.869 -12.993 1.00 0.00 O ATOM 0 H ASP A1979 3.396 6.135 -9.949 1.00 0.00 H new ATOM 0 HA ASP A1979 4.337 3.415 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A1979 4.776 4.381 -12.760 1.00 0.00 H new ATOM 0 HB3 ASP A1979 3.082 4.485 -12.324 1.00 0.00 H new ATOM 680 N GLN A1980 6.075 5.585 -9.198 1.00 0.00 N ATOM 681 CA GLN A1980 7.389 5.990 -8.717 1.00 0.00 C ATOM 682 C GLN A1980 7.806 4.945 -7.693 1.00 0.00 C ATOM 683 O GLN A1980 6.967 4.349 -7.008 1.00 0.00 O ATOM 684 CB GLN A1980 7.346 7.399 -8.101 1.00 0.00 C ATOM 685 CG GLN A1980 8.624 7.890 -7.390 1.00 0.00 C ATOM 686 CD GLN A1980 9.886 7.912 -8.258 1.00 0.00 C ATOM 687 OE1 GLN A1980 10.252 6.918 -8.873 1.00 0.00 O ATOM 688 NE2 GLN A1980 10.592 9.027 -8.321 1.00 0.00 N ATOM 0 H GLN A1980 5.314 5.906 -8.600 1.00 0.00 H new ATOM 0 HA GLN A1980 8.109 6.044 -9.533 1.00 0.00 H new ATOM 0 HB2 GLN A1980 7.105 8.108 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.526 7.431 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.446 8.896 -7.011 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.808 7.252 -6.526 1.00 0.00 H new ATOM 0 HE21 GLN A1980 10.286 9.854 -7.808 1.00 0.00 H new ATOM 0 HE22 GLN A1980 11.443 9.061 -8.882 1.00 0.00 H new ATOM 697 N LYS A1981 9.109 4.702 -7.604 1.00 0.00 N ATOM 698 CA LYS A1981 9.638 3.720 -6.684 1.00 0.00 C ATOM 699 C LYS A1981 9.769 4.285 -5.294 1.00 0.00 C ATOM 700 O LYS A1981 10.286 5.385 -5.111 1.00 0.00 O ATOM 701 CB LYS A1981 11.005 3.238 -7.134 1.00 0.00 C ATOM 702 CG LYS A1981 10.857 2.601 -8.505 1.00 0.00 C ATOM 703 CD LYS A1981 11.950 1.573 -8.741 1.00 0.00 C ATOM 704 CE LYS A1981 11.442 0.806 -9.942 1.00 0.00 C ATOM 705 NZ LYS A1981 12.422 -0.191 -10.415 1.00 0.00 N ATOM 0 H LYS A1981 9.816 5.178 -8.164 1.00 0.00 H new ATOM 0 HA LYS A1981 8.935 2.887 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.707 4.071 -7.176 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.407 2.518 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.880 2.125 -8.587 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.902 3.370 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.912 2.045 -8.941 1.00 0.00 H new ATOM 0 HD3 LYS A1981 12.087 0.924 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A1981 10.510 0.304 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A1981 11.216 1.503 -10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 12.035 -0.694 -11.239 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 13.303 0.290 -10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 12.619 -0.872 -9.654 1.00 0.00 H new ATOM 719 N PHE A1982 9.428 3.477 -4.298 1.00 0.00 N ATOM 720 CA PHE A1982 9.549 3.900 -2.911 1.00 0.00 C ATOM 721 C PHE A1982 11.020 4.192 -2.603 1.00 0.00 C ATOM 722 O PHE A1982 11.339 5.149 -1.905 1.00 0.00 O ATOM 723 CB PHE A1982 9.001 2.813 -1.985 1.00 0.00 C ATOM 724 CG PHE A1982 7.681 2.224 -2.421 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.628 3.086 -2.747 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.515 0.833 -2.541 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.414 2.554 -3.205 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.281 0.298 -2.954 1.00 0.00 C ATOM 729 CZ PHE A1982 5.223 1.162 -3.283 1.00 0.00 C ATOM 0 H PHE A1982 9.068 2.531 -4.424 1.00 0.00 H new ATOM 0 HA PHE A1982 8.968 4.807 -2.747 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.736 2.011 -1.913 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.885 3.230 -0.985 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.749 4.154 -2.647 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.339 0.172 -2.315 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.617 3.220 -3.501 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.148 -0.772 -3.018 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.270 0.761 -3.594 1.00 0.00 H new ATOM 739 N VAL A1983 11.937 3.378 -3.131 1.00 0.00 N ATOM 740 CA VAL A1983 13.374 3.537 -2.932 1.00 0.00 C ATOM 741 C VAL A1983 13.868 4.877 -3.474 1.00 0.00 C ATOM 742 O VAL A1983 14.761 5.483 -2.876 1.00 0.00 O ATOM 743 CB VAL A1983 14.133 2.357 -3.560 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.931 1.100 -2.702 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.720 2.067 -5.013 1.00 0.00 C ATOM 0 H VAL A1983 11.695 2.579 -3.717 1.00 0.00 H new ATOM 0 HA VAL A1983 13.573 3.536 -1.860 1.00 0.00 H new ATOM 0 HB VAL A1983 15.185 2.639 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.470 0.264 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.311 1.281 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.869 0.861 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.295 1.223 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.657 1.827 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL A1983 13.915 2.945 -5.629 1.00 0.00 H new ATOM 755 N ASP A1984 13.280 5.360 -4.573 1.00 0.00 N ATOM 756 CA ASP A1984 13.665 6.628 -5.176 1.00 0.00 C ATOM 757 C ASP A1984 13.259 7.758 -4.234 1.00 0.00 C ATOM 758 O ASP A1984 13.953 8.772 -4.160 1.00 0.00 O ATOM 759 CB ASP A1984 13.090 6.796 -6.597 1.00 0.00 C ATOM 760 CG ASP A1984 13.900 6.070 -7.681 1.00 0.00 C ATOM 761 OD1 ASP A1984 15.150 6.189 -7.702 1.00 0.00 O ATOM 762 OD2 ASP A1984 13.312 5.378 -8.537 1.00 0.00 O ATOM 0 H ASP A1984 12.526 4.880 -5.064 1.00 0.00 H new ATOM 0 HA ASP A1984 14.747 6.654 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A1984 12.066 6.424 -6.611 1.00 0.00 H new ATOM 0 HB3 ASP A1984 13.047 7.858 -6.839 1.00 0.00 H new ATOM 767 N LEU A1985 12.173 7.586 -3.476 1.00 0.00 N ATOM 768 CA LEU A1985 11.700 8.569 -2.504 1.00 0.00 C ATOM 769 C LEU A1985 12.564 8.472 -1.238 1.00 0.00 C ATOM 770 O LEU A1985 12.904 9.492 -0.638 1.00 0.00 O ATOM 771 CB LEU A1985 10.218 8.342 -2.170 1.00 0.00 C ATOM 772 CG LEU A1985 9.254 8.413 -3.367 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.814 8.456 -2.865 1.00 0.00 C ATOM 774 CD2 LEU A1985 9.491 9.633 -4.263 1.00 0.00 C ATOM 0 H LEU A1985 11.592 6.749 -3.522 1.00 0.00 H new ATOM 0 HA LEU A1985 11.789 9.568 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A1985 10.115 7.364 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.911 9.084 -1.433 1.00 0.00 H new ATOM 0 HG LEU A1985 9.440 7.521 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A1985 7.134 8.506 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.604 7.557 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.674 9.335 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.778 9.623 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A1985 9.358 10.544 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.506 9.601 -4.660 1.00 0.00 H new ATOM 786 N GLY A1986 13.031 7.268 -0.882 1.00 0.00 N ATOM 787 CA GLY A1986 13.877 7.043 0.291 1.00 0.00 C ATOM 788 C GLY A1986 13.636 5.748 1.071 1.00 0.00 C ATOM 789 O GLY A1986 14.095 5.628 2.205 1.00 0.00 O ATOM 0 H GLY A1986 12.829 6.417 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.918 7.058 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.743 7.882 0.974 1.00 0.00 H new ATOM 793 N LEU A1987 12.917 4.782 0.502 1.00 0.00 N ATOM 794 CA LEU A1987 12.629 3.502 1.147 1.00 0.00 C ATOM 795 C LEU A1987 13.926 2.697 1.258 1.00 0.00 C ATOM 796 O LEU A1987 14.573 2.444 0.245 1.00 0.00 O ATOM 797 CB LEU A1987 11.561 2.781 0.311 1.00 0.00 C ATOM 798 CG LEU A1987 10.745 1.640 0.930 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.605 0.451 1.328 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.908 2.144 2.110 1.00 0.00 C ATOM 0 H LEU A1987 12.513 4.867 -0.431 1.00 0.00 H new ATOM 0 HA LEU A1987 12.243 3.635 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.854 3.536 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A1987 12.057 2.382 -0.574 1.00 0.00 H new ATOM 0 HG LEU A1987 10.066 1.282 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.974 -0.326 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A1987 12.112 0.058 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.346 0.767 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.338 1.316 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.567 2.557 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A1987 9.222 2.918 1.765 1.00 0.00 H new ATOM 812 N ASP A1988 14.334 2.319 2.467 1.00 0.00 N ATOM 813 CA ASP A1988 15.544 1.523 2.729 1.00 0.00 C ATOM 814 C ASP A1988 15.141 0.165 3.294 1.00 0.00 C ATOM 815 O ASP A1988 13.968 -0.134 3.512 1.00 0.00 O ATOM 816 CB ASP A1988 16.525 2.242 3.670 1.00 0.00 C ATOM 817 CG ASP A1988 17.920 1.611 3.801 1.00 0.00 C ATOM 818 OD1 ASP A1988 18.339 0.858 2.896 1.00 0.00 O ATOM 819 OD2 ASP A1988 18.609 1.843 4.815 1.00 0.00 O ATOM 0 H ASP A1988 13.824 2.561 3.317 1.00 0.00 H new ATOM 0 HA ASP A1988 16.070 1.385 1.785 1.00 0.00 H new ATOM 0 HB2 ASP A1988 16.644 3.268 3.323 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.076 2.291 4.662 1.00 0.00 H new ATOM 824 N SER A1989 16.127 -0.674 3.547 1.00 0.00 N ATOM 825 CA SER A1989 15.967 -2.024 4.053 1.00 0.00 C ATOM 826 C SER A1989 15.178 -2.097 5.356 1.00 0.00 C ATOM 827 O SER A1989 14.381 -3.020 5.526 1.00 0.00 O ATOM 828 CB SER A1989 17.353 -2.644 4.211 1.00 0.00 C ATOM 829 OG SER A1989 17.323 -4.046 4.012 1.00 0.00 O ATOM 0 H SER A1989 17.104 -0.422 3.399 1.00 0.00 H new ATOM 0 HA SER A1989 15.375 -2.588 3.332 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.039 -2.189 3.497 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.739 -2.425 5.207 1.00 0.00 H new ATOM 0 HG SER A1989 18.226 -4.411 4.119 1.00 0.00 H new ATOM 835 N ILE A1990 15.380 -1.133 6.251 1.00 0.00 N ATOM 836 CA ILE A1990 14.709 -1.080 7.535 1.00 0.00 C ATOM 837 C ILE A1990 13.226 -0.817 7.316 1.00 0.00 C ATOM 838 O ILE A1990 12.391 -1.656 7.658 1.00 0.00 O ATOM 839 CB ILE A1990 15.387 -0.033 8.447 1.00 0.00 C ATOM 840 CG1 ILE A1990 16.901 -0.320 8.627 1.00 0.00 C ATOM 841 CG2 ILE A1990 14.700 -0.003 9.823 1.00 0.00 C ATOM 842 CD1 ILE A1990 17.798 0.485 7.680 1.00 0.00 C ATOM 0 H ILE A1990 16.025 -0.358 6.097 1.00 0.00 H new ATOM 0 HA ILE A1990 14.794 -2.036 8.051 1.00 0.00 H new ATOM 0 HB ILE A1990 15.283 0.938 7.963 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.184 -0.099 9.656 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.082 -1.383 8.468 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.187 0.739 10.457 1.00 0.00 H new ATOM 0 HG22 ILE A1990 13.649 0.259 9.699 1.00 0.00 H new ATOM 0 HG23 ILE A1990 14.777 -0.985 10.289 1.00 0.00 H new ATOM 0 HD11 ILE A1990 18.842 0.231 7.864 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.544 0.246 6.647 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.647 1.550 7.854 1.00 0.00 H new ATOM 854 N VAL A1991 12.919 0.324 6.705 1.00 0.00 N ATOM 855 CA VAL A1991 11.572 0.775 6.419 1.00 0.00 C ATOM 856 C VAL A1991 10.806 -0.270 5.611 1.00 0.00 C ATOM 857 O VAL A1991 9.641 -0.527 5.893 1.00 0.00 O ATOM 858 CB VAL A1991 11.610 2.126 5.677 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.208 2.744 5.655 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.552 3.155 6.314 1.00 0.00 C ATOM 0 H VAL A1991 13.632 0.980 6.386 1.00 0.00 H new ATOM 0 HA VAL A1991 11.046 0.914 7.364 1.00 0.00 H new ATOM 0 HB VAL A1991 11.979 1.901 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.239 3.699 5.130 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.521 2.070 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A1991 9.865 2.903 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.525 4.079 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.233 3.356 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.569 2.762 6.322 1.00 0.00 H new ATOM 870 N GLY A1992 11.440 -0.914 4.629 1.00 0.00 N ATOM 871 CA GLY A1992 10.762 -1.901 3.807 1.00 0.00 C ATOM 872 C GLY A1992 10.246 -3.091 4.602 1.00 0.00 C ATOM 873 O GLY A1992 9.173 -3.598 4.292 1.00 0.00 O ATOM 0 H GLY A1992 12.420 -0.766 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.926 -1.425 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.447 -2.256 3.037 1.00 0.00 H new ATOM 877 N VAL A1993 10.973 -3.542 5.622 1.00 0.00 N ATOM 878 CA VAL A1993 10.560 -4.671 6.449 1.00 0.00 C ATOM 879 C VAL A1993 9.366 -4.265 7.312 1.00 0.00 C ATOM 880 O VAL A1993 8.335 -4.930 7.274 1.00 0.00 O ATOM 881 CB VAL A1993 11.768 -5.134 7.301 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.415 -6.124 8.418 1.00 0.00 C ATOM 883 CG2 VAL A1993 12.865 -5.793 6.460 1.00 0.00 C ATOM 0 H VAL A1993 11.866 -3.134 5.898 1.00 0.00 H new ATOM 0 HA VAL A1993 10.241 -5.509 5.829 1.00 0.00 H new ATOM 0 HB VAL A1993 12.120 -4.203 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.319 -6.395 8.963 1.00 0.00 H new ATOM 0 HG12 VAL A1993 10.703 -5.662 9.102 1.00 0.00 H new ATOM 0 HG13 VAL A1993 10.972 -7.020 7.983 1.00 0.00 H new ATOM 0 HG21 VAL A1993 13.687 -6.098 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.459 -6.668 5.953 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.232 -5.083 5.719 1.00 0.00 H new ATOM 893 N GLU A1994 9.468 -3.185 8.080 1.00 0.00 N ATOM 894 CA GLU A1994 8.354 -2.767 8.933 1.00 0.00 C ATOM 895 C GLU A1994 7.122 -2.387 8.109 1.00 0.00 C ATOM 896 O GLU A1994 5.988 -2.698 8.489 1.00 0.00 O ATOM 897 CB GLU A1994 8.771 -1.638 9.874 1.00 0.00 C ATOM 898 CG GLU A1994 9.354 -0.414 9.170 1.00 0.00 C ATOM 899 CD GLU A1994 9.559 0.707 10.180 1.00 0.00 C ATOM 900 OE1 GLU A1994 8.543 1.343 10.551 1.00 0.00 O ATOM 901 OE2 GLU A1994 10.709 0.903 10.633 1.00 0.00 O ATOM 0 H GLU A1994 10.295 -2.590 8.132 1.00 0.00 H new ATOM 0 HA GLU A1994 8.075 -3.622 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A1994 7.904 -1.328 10.457 1.00 0.00 H new ATOM 0 HB3 GLU A1994 9.508 -2.022 10.579 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.303 -0.671 8.699 1.00 0.00 H new ATOM 0 HG3 GLU A1994 8.683 -0.084 8.377 1.00 0.00 H new ATOM 908 N TRP A1995 7.324 -1.777 6.940 1.00 0.00 N ATOM 909 CA TRP A1995 6.215 -1.392 6.098 1.00 0.00 C ATOM 910 C TRP A1995 5.580 -2.619 5.445 1.00 0.00 C ATOM 911 O TRP A1995 4.353 -2.680 5.331 1.00 0.00 O ATOM 912 CB TRP A1995 6.671 -0.374 5.073 1.00 0.00 C ATOM 913 CG TRP A1995 5.517 0.243 4.362 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.530 0.987 4.912 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.164 0.074 2.970 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.585 1.272 3.946 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.924 0.724 2.728 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.790 -0.578 1.893 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.343 0.724 1.454 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.252 -0.526 0.598 1.00 0.00 C ATOM 921 CH2 TRP A1995 4.047 0.151 0.383 1.00 0.00 C ATOM 0 H TRP A1995 8.244 -1.544 6.565 1.00 0.00 H new ATOM 0 HA TRP A1995 5.446 -0.924 6.712 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.253 0.404 5.566 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.330 -0.855 4.350 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.488 1.307 5.943 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.741 1.820 4.113 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.702 -1.129 2.066 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.367 1.159 1.297 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.763 -1.004 -0.225 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.653 0.234 -0.619 1.00 0.00 H new ATOM 932 N THR A1996 6.380 -3.614 5.033 1.00 0.00 N ATOM 933 CA THR A1996 5.799 -4.818 4.434 1.00 0.00 C ATOM 934 C THR A1996 4.922 -5.482 5.509 1.00 0.00 C ATOM 935 O THR A1996 3.877 -6.061 5.205 1.00 0.00 O ATOM 936 CB THR A1996 6.848 -5.749 3.790 1.00 0.00 C ATOM 937 OG1 THR A1996 6.320 -6.408 2.653 1.00 0.00 O ATOM 938 CG2 THR A1996 7.390 -6.825 4.727 1.00 0.00 C ATOM 0 H THR A1996 7.398 -3.610 5.101 1.00 0.00 H new ATOM 0 HA THR A1996 5.174 -4.555 3.581 1.00 0.00 H new ATOM 0 HB THR A1996 7.668 -5.083 3.522 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.206 -7.361 2.851 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.121 -7.435 4.196 1.00 0.00 H new ATOM 0 HG22 THR A1996 7.867 -6.353 5.586 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.570 -7.456 5.069 1.00 0.00 H new ATOM 946 N THR A1997 5.321 -5.370 6.783 1.00 0.00 N ATOM 947 CA THR A1997 4.547 -5.940 7.862 1.00 0.00 C ATOM 948 C THR A1997 3.275 -5.114 8.033 1.00 0.00 C ATOM 949 O THR A1997 2.195 -5.696 8.088 1.00 0.00 O ATOM 950 CB THR A1997 5.349 -5.985 9.170 1.00 0.00 C ATOM 951 OG1 THR A1997 6.509 -6.788 9.040 1.00 0.00 O ATOM 952 CG2 THR A1997 4.436 -6.537 10.265 1.00 0.00 C ATOM 0 H THR A1997 6.172 -4.890 7.077 1.00 0.00 H new ATOM 0 HA THR A1997 4.292 -6.970 7.615 1.00 0.00 H new ATOM 0 HB THR A1997 5.686 -4.980 9.425 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.180 -6.309 8.510 1.00 0.00 H new ATOM 0 HG21 THR A1997 4.982 -6.580 11.207 1.00 0.00 H new ATOM 0 HG22 THR A1997 3.569 -5.887 10.378 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.105 -7.539 9.992 1.00 0.00 H new ATOM 960 N THR A1998 3.373 -3.782 8.021 1.00 0.00 N ATOM 961 CA THR A1998 2.234 -2.888 8.185 1.00 0.00 C ATOM 962 C THR A1998 1.161 -3.239 7.150 1.00 0.00 C ATOM 963 O THR A1998 -0.031 -3.225 7.455 1.00 0.00 O ATOM 964 CB THR A1998 2.758 -1.448 8.022 1.00 0.00 C ATOM 965 OG1 THR A1998 3.516 -1.088 9.163 1.00 0.00 O ATOM 966 CG2 THR A1998 1.658 -0.417 7.786 1.00 0.00 C ATOM 0 H THR A1998 4.259 -3.292 7.895 1.00 0.00 H new ATOM 0 HA THR A1998 1.772 -2.989 9.167 1.00 0.00 H new ATOM 0 HB THR A1998 3.380 -1.443 7.127 1.00 0.00 H new ATOM 0 HG1 THR A1998 4.390 -1.530 9.128 1.00 0.00 H new ATOM 0 HG21 THR A1998 2.103 0.572 7.681 1.00 0.00 H new ATOM 0 HG22 THR A1998 1.113 -0.668 6.876 1.00 0.00 H new ATOM 0 HG23 THR A1998 0.971 -0.418 8.632 1.00 0.00 H new ATOM 974 N ILE A1999 1.574 -3.584 5.934 1.00 0.00 N ATOM 975 CA ILE A1999 0.679 -3.959 4.849 1.00 0.00 C ATOM 976 C ILE A1999 -0.061 -5.238 5.240 1.00 0.00 C ATOM 977 O ILE A1999 -1.287 -5.297 5.146 1.00 0.00 O ATOM 978 CB ILE A1999 1.524 -4.151 3.571 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.771 -2.769 2.952 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.857 -5.102 2.565 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.864 -2.783 1.892 1.00 0.00 C ATOM 0 H ILE A1999 2.559 -3.611 5.672 1.00 0.00 H new ATOM 0 HA ILE A1999 -0.066 -3.186 4.658 1.00 0.00 H new ATOM 0 HB ILE A1999 2.471 -4.620 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.845 -2.405 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.044 -2.067 3.740 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.491 -5.203 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.718 -6.080 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.112 -4.699 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A1999 2.994 -1.778 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.800 -3.119 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.582 -3.462 1.087 1.00 0.00 H new ATOM 993 N ASN A2000 0.675 -6.264 5.673 1.00 0.00 N ATOM 994 CA ASN A2000 0.087 -7.540 6.061 1.00 0.00 C ATOM 995 C ASN A2000 -0.942 -7.358 7.158 1.00 0.00 C ATOM 996 O ASN A2000 -1.976 -8.009 7.130 1.00 0.00 O ATOM 997 CB ASN A2000 1.132 -8.498 6.636 1.00 0.00 C ATOM 998 CG ASN A2000 2.196 -8.882 5.654 1.00 0.00 C ATOM 999 OD1 ASN A2000 1.897 -9.125 4.495 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.439 -8.957 6.100 1.00 0.00 N ATOM 0 H ASN A2000 1.690 -6.230 5.763 1.00 0.00 H new ATOM 0 HA ASN A2000 -0.358 -7.943 5.151 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.600 -8.034 7.504 1.00 0.00 H new ATOM 0 HB3 ASN A2000 0.631 -9.400 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.192 -9.227 5.467 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.644 -8.745 7.076 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.644 -6.487 8.111 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.497 -6.186 9.255 1.00 0.00 C ATOM 1009 C GLN A2001 -2.751 -5.425 8.806 1.00 0.00 C ATOM 1010 O GLN A2001 -3.777 -5.474 9.478 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.719 -5.383 10.320 1.00 0.00 C ATOM 1012 CG GLN A2001 0.678 -5.933 10.678 1.00 0.00 C ATOM 1013 CD GLN A2001 0.863 -6.321 12.138 1.00 0.00 C ATOM 1014 OE1 GLN A2001 0.623 -7.463 12.516 1.00 0.00 O ATOM 1015 NE2 GLN A2001 1.413 -5.438 12.952 1.00 0.00 N ATOM 0 H GLN A2001 0.225 -5.953 8.111 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.812 -7.127 9.705 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.607 -4.358 9.967 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.319 -5.343 11.229 1.00 0.00 H new ATOM 0 HG2 GLN A2001 0.878 -6.807 10.058 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.424 -5.182 10.420 1.00 0.00 H new ATOM 0 HE21 GLN A2001 1.606 -4.492 12.623 1.00 0.00 H new ATOM 0 HE22 GLN A2001 1.644 -5.702 13.910 1.00 0.00 H new ATOM 1024 N THR A2002 -2.657 -4.667 7.711 1.00 0.00 N ATOM 1025 CA THR A2002 -3.750 -3.882 7.163 1.00 0.00 C ATOM 1026 C THR A2002 -4.823 -4.698 6.432 1.00 0.00 C ATOM 1027 O THR A2002 -6.017 -4.451 6.606 1.00 0.00 O ATOM 1028 CB THR A2002 -3.186 -2.801 6.229 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.277 -1.976 6.930 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.271 -1.904 5.626 1.00 0.00 C ATOM 0 H THR A2002 -1.795 -4.585 7.172 1.00 0.00 H new ATOM 0 HA THR A2002 -4.257 -3.436 8.019 1.00 0.00 H new ATOM 0 HB THR A2002 -2.691 -3.333 5.417 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.374 -2.351 6.860 1.00 0.00 H new ATOM 0 HG21 THR A2002 -3.809 -1.161 4.976 1.00 0.00 H new ATOM 0 HG22 THR A2002 -4.965 -2.512 5.046 1.00 0.00 H new ATOM 0 HG23 THR A2002 -4.812 -1.399 6.426 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.408 -5.630 5.569 1.00 0.00 N ATOM 1039 CA TYR A2003 -5.309 -6.448 4.756 1.00 0.00 C ATOM 1040 C TYR A2003 -5.336 -7.909 5.212 1.00 0.00 C ATOM 1041 O TYR A2003 -5.923 -8.742 4.523 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.879 -6.312 3.282 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.504 -4.909 2.824 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.478 -3.909 2.636 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.142 -4.590 2.664 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.094 -2.596 2.295 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -2.746 -3.280 2.357 1.00 0.00 C ATOM 1048 CZ TYR A2003 -3.720 -2.276 2.183 1.00 0.00 C ATOM 1049 OH TYR A2003 -3.306 -1.002 1.950 1.00 0.00 O ATOM 0 H TYR A2003 -3.422 -5.839 5.414 1.00 0.00 H new ATOM 0 HA TYR A2003 -6.331 -6.090 4.876 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -4.026 -6.969 3.111 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.692 -6.674 2.652 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.524 -4.149 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.395 -5.361 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -5.844 -1.839 2.120 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -1.698 -3.041 2.254 1.00 0.00 H new ATOM 0 HH TYR A2003 -2.426 -0.864 2.359 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.694 -8.213 6.345 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.585 -9.532 6.958 1.00 0.00 C ATOM 1061 C ASN A2004 -3.968 -10.542 5.999 1.00 0.00 C ATOM 1062 O ASN A2004 -4.642 -11.447 5.523 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.961 -9.959 7.456 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.848 -11.130 8.401 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -5.993 -12.288 8.023 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -5.548 -10.848 9.644 1.00 0.00 N ATOM 0 H ASN A2004 -4.209 -7.498 6.888 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.909 -9.486 7.812 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -6.446 -9.123 7.961 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.592 -10.229 6.609 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -5.429 -11.600 10.323 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -5.433 -9.877 9.933 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.684 -10.370 5.687 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.926 -11.197 4.746 1.00 0.00 C ATOM 1075 C LEU A2005 -0.606 -11.652 5.352 1.00 0.00 C ATOM 1076 O LEU A2005 -0.412 -11.559 6.564 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.655 -10.391 3.458 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.837 -9.551 2.960 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -2.355 -8.620 1.865 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -4.024 -10.377 2.468 1.00 0.00 C ATOM 0 H LEU A2005 -2.122 -9.624 6.097 1.00 0.00 H new ATOM 0 HA LEU A2005 -2.517 -12.083 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.806 -9.730 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -1.362 -11.083 2.669 1.00 0.00 H new ATOM 0 HG LEU A2005 -3.208 -8.987 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -3.190 -8.019 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.579 -7.964 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.949 -9.207 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.818 -9.709 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.708 -11.010 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -4.394 -11.002 3.281 1.00 0.00 H new ATOM 1092 N ASN A2006 0.272 -12.205 4.517 1.00 0.00 N ATOM 1093 CA ASN A2006 1.599 -12.679 4.870 1.00 0.00 C ATOM 1094 C ASN A2006 2.471 -12.336 3.660 1.00 0.00 C ATOM 1095 O ASN A2006 2.283 -12.921 2.595 1.00 0.00 O ATOM 1096 CB ASN A2006 1.529 -14.187 5.136 1.00 0.00 C ATOM 1097 CG ASN A2006 2.877 -14.744 5.549 1.00 0.00 C ATOM 1098 OD1 ASN A2006 3.287 -14.604 6.695 1.00 0.00 O ATOM 1099 ND2 ASN A2006 3.583 -15.420 4.662 1.00 0.00 N ATOM 0 H ASN A2006 0.062 -12.339 3.528 1.00 0.00 H new ATOM 0 HA ASN A2006 2.008 -12.224 5.772 1.00 0.00 H new ATOM 0 HB2 ASN A2006 0.797 -14.385 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.182 -14.700 4.239 1.00 0.00 H new ATOM 0 HD21 ASN A2006 4.478 -15.831 4.928 1.00 0.00 H new ATOM 0 HD22 ASN A2006 3.234 -15.532 3.710 1.00 0.00 H new ATOM 1106 N LEU A2007 3.426 -11.418 3.799 1.00 0.00 N ATOM 1107 CA LEU A2007 4.353 -10.917 2.772 1.00 0.00 C ATOM 1108 C LEU A2007 5.664 -10.516 3.422 1.00 0.00 C ATOM 1109 O LEU A2007 5.697 -10.354 4.646 1.00 0.00 O ATOM 1110 CB LEU A2007 3.802 -9.651 2.128 1.00 0.00 C ATOM 1111 CG LEU A2007 2.435 -9.741 1.433 1.00 0.00 C ATOM 1112 CD1 LEU A2007 1.965 -8.315 1.154 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.519 -10.583 0.155 1.00 0.00 C ATOM 0 H LEU A2007 3.589 -10.967 4.700 1.00 0.00 H new ATOM 0 HA LEU A2007 4.487 -11.708 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A2007 3.736 -8.884 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.529 -9.304 1.394 1.00 0.00 H new ATOM 0 HG LEU A2007 1.711 -10.244 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A2007 0.994 -8.342 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A2007 1.878 -7.770 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.687 -7.814 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.537 -10.629 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.231 -10.128 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A2007 2.849 -11.591 0.405 1.00 0.00 H new ATOM 1125 N LYS A2008 6.730 -10.315 2.628 1.00 0.00 N ATOM 1126 CA LYS A2008 8.009 -9.946 3.241 1.00 0.00 C ATOM 1127 C LYS A2008 8.759 -8.845 2.526 1.00 0.00 C ATOM 1128 O LYS A2008 8.225 -8.241 1.597 1.00 0.00 O ATOM 1129 CB LYS A2008 8.838 -11.190 3.529 1.00 0.00 C ATOM 1130 CG LYS A2008 9.514 -11.829 2.314 1.00 0.00 C ATOM 1131 CD LYS A2008 10.988 -12.184 2.509 1.00 0.00 C ATOM 1132 CE LYS A2008 11.209 -12.821 3.876 1.00 0.00 C ATOM 1133 NZ LYS A2008 12.518 -13.480 3.995 1.00 0.00 N ATOM 0 H LYS A2008 6.733 -10.397 1.611 1.00 0.00 H new ATOM 0 HA LYS A2008 7.780 -9.481 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A2008 9.607 -10.932 4.257 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.194 -11.934 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A2008 8.969 -12.735 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.429 -11.146 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.309 -12.870 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.599 -11.286 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A2008 11.122 -12.055 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A2008 10.422 -13.551 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 12.613 -13.895 4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 12.595 -14.231 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 13.273 -12.781 3.846 1.00 0.00 H new ATOM 1147 N ALA A2009 10.006 -8.596 2.938 1.00 0.00 N ATOM 1148 CA ALA A2009 10.854 -7.559 2.366 1.00 0.00 C ATOM 1149 C ALA A2009 11.033 -7.739 0.858 1.00 0.00 C ATOM 1150 O ALA A2009 11.197 -6.764 0.128 1.00 0.00 O ATOM 1151 CB ALA A2009 12.193 -7.470 3.096 1.00 0.00 C ATOM 0 H ALA A2009 10.456 -9.119 3.689 1.00 0.00 H new ATOM 0 HA ALA A2009 10.346 -6.606 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A2009 12.802 -6.687 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.020 -7.235 4.146 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.714 -8.424 3.019 1.00 0.00 H new ATOM 1157 N THR A2010 10.944 -8.977 0.369 1.00 0.00 N ATOM 1158 CA THR A2010 11.066 -9.289 -1.044 1.00 0.00 C ATOM 1159 C THR A2010 9.967 -8.546 -1.830 1.00 0.00 C ATOM 1160 O THR A2010 10.204 -8.170 -2.969 1.00 0.00 O ATOM 1161 CB THR A2010 11.050 -10.824 -1.193 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.941 -11.276 -2.186 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.656 -11.425 -1.373 1.00 0.00 C ATOM 0 H THR A2010 10.783 -9.796 0.955 1.00 0.00 H new ATOM 0 HA THR A2010 12.006 -8.941 -1.471 1.00 0.00 H new ATOM 0 HB THR A2010 11.406 -11.196 -0.232 1.00 0.00 H new ATOM 0 HG1 THR A2010 11.898 -12.253 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.736 -12.508 -1.470 1.00 0.00 H new ATOM 0 HG22 THR A2010 9.041 -11.183 -0.506 1.00 0.00 H new ATOM 0 HG23 THR A2010 9.196 -11.013 -2.271 1.00 0.00 H new ATOM 1171 N LYS A2011 8.787 -8.277 -1.239 1.00 0.00 N ATOM 1172 CA LYS A2011 7.693 -7.568 -1.904 1.00 0.00 C ATOM 1173 C LYS A2011 8.104 -6.198 -2.367 1.00 0.00 C ATOM 1174 O LYS A2011 7.771 -5.808 -3.478 1.00 0.00 O ATOM 1175 CB LYS A2011 6.508 -7.323 -0.974 1.00 0.00 C ATOM 1176 CG LYS A2011 5.628 -8.509 -0.730 1.00 0.00 C ATOM 1177 CD LYS A2011 5.055 -9.057 -2.015 1.00 0.00 C ATOM 1178 CE LYS A2011 5.839 -10.265 -2.486 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.781 -11.518 -1.709 1.00 0.00 N ATOM 0 H LYS A2011 8.571 -8.550 -0.280 1.00 0.00 H new ATOM 0 HA LYS A2011 7.423 -8.216 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.887 -6.970 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.900 -6.520 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.200 -9.288 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.815 -8.227 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A2011 4.011 -9.332 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.073 -8.285 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A2011 5.509 -10.494 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A2011 6.886 -9.969 -2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 6.259 -12.276 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 6.255 -11.381 -0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 4.788 -11.781 -1.548 1.00 0.00 H new ATOM 1193 N LEU A2012 8.788 -5.473 -1.491 1.00 0.00 N ATOM 1194 CA LEU A2012 9.240 -4.124 -1.789 1.00 0.00 C ATOM 1195 C LEU A2012 10.135 -4.125 -3.023 1.00 0.00 C ATOM 1196 O LEU A2012 10.158 -3.143 -3.758 1.00 0.00 O ATOM 1197 CB LEU A2012 9.928 -3.528 -0.547 1.00 0.00 C ATOM 1198 CG LEU A2012 8.962 -2.805 0.413 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.534 -1.478 -0.234 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.733 -3.663 0.780 1.00 0.00 C ATOM 0 H LEU A2012 9.043 -5.803 -0.560 1.00 0.00 H new ATOM 0 HA LEU A2012 8.389 -3.486 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.434 -4.327 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.697 -2.826 -0.871 1.00 0.00 H new ATOM 0 HG LEU A2012 9.484 -2.617 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.850 -0.953 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.414 -0.859 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A2012 8.035 -1.680 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.088 -3.104 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.179 -3.912 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.062 -4.581 1.267 1.00 0.00 H new ATOM 1212 N TYR A2013 10.862 -5.216 -3.254 1.00 0.00 N ATOM 1213 CA TYR A2013 11.744 -5.362 -4.392 1.00 0.00 C ATOM 1214 C TYR A2013 10.967 -5.876 -5.604 1.00 0.00 C ATOM 1215 O TYR A2013 11.274 -5.483 -6.729 1.00 0.00 O ATOM 1216 CB TYR A2013 12.860 -6.340 -4.008 1.00 0.00 C ATOM 1217 CG TYR A2013 14.203 -6.061 -4.645 1.00 0.00 C ATOM 1218 CD1 TYR A2013 15.009 -5.029 -4.137 1.00 0.00 C ATOM 1219 CD2 TYR A2013 14.677 -6.864 -5.695 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.308 -4.830 -4.632 1.00 0.00 C ATOM 1221 CE2 TYR A2013 15.965 -6.659 -6.214 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.800 -5.661 -5.663 1.00 0.00 C ATOM 1223 OH TYR A2013 18.092 -5.541 -6.075 1.00 0.00 O ATOM 0 H TYR A2013 10.849 -6.032 -2.642 1.00 0.00 H new ATOM 0 HA TYR A2013 12.174 -4.397 -4.662 1.00 0.00 H new ATOM 0 HB2 TYR A2013 12.979 -6.325 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.548 -7.348 -4.280 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.627 -4.384 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A2013 14.049 -7.641 -6.104 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.928 -4.045 -4.226 1.00 0.00 H new ATOM 0 HE2 TYR A2013 16.318 -7.265 -7.035 1.00 0.00 H new ATOM 0 HH TYR A2013 18.269 -6.187 -6.790 1.00 0.00 H new ATOM 1233 N ASP A2014 9.967 -6.738 -5.394 1.00 0.00 N ATOM 1234 CA ASP A2014 9.137 -7.342 -6.422 1.00 0.00 C ATOM 1235 C ASP A2014 8.241 -6.296 -7.074 1.00 0.00 C ATOM 1236 O ASP A2014 8.086 -6.298 -8.298 1.00 0.00 O ATOM 1237 CB ASP A2014 8.289 -8.450 -5.757 1.00 0.00 C ATOM 1238 CG ASP A2014 8.856 -9.857 -5.934 1.00 0.00 C ATOM 1239 OD1 ASP A2014 9.391 -10.188 -7.016 1.00 0.00 O ATOM 1240 OD2 ASP A2014 8.755 -10.666 -4.981 1.00 0.00 O ATOM 0 H ASP A2014 9.708 -7.043 -4.456 1.00 0.00 H new ATOM 0 HA ASP A2014 9.762 -7.768 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.201 -8.236 -4.692 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.282 -8.421 -6.172 1.00 0.00 H new ATOM 1245 N TYR A2015 7.708 -5.371 -6.272 1.00 0.00 N ATOM 1246 CA TYR A2015 6.806 -4.303 -6.673 1.00 0.00 C ATOM 1247 C TYR A2015 7.196 -3.023 -5.916 1.00 0.00 C ATOM 1248 O TYR A2015 6.615 -2.713 -4.876 1.00 0.00 O ATOM 1249 CB TYR A2015 5.373 -4.758 -6.370 1.00 0.00 C ATOM 1250 CG TYR A2015 5.045 -6.180 -6.786 1.00 0.00 C ATOM 1251 CD1 TYR A2015 5.089 -6.537 -8.143 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.803 -7.166 -5.810 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.828 -7.853 -8.539 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.549 -8.495 -6.196 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.537 -8.833 -7.572 1.00 0.00 C ATOM 1256 OH TYR A2015 4.264 -10.094 -7.995 1.00 0.00 O ATOM 0 H TYR A2015 7.909 -5.351 -5.272 1.00 0.00 H new ATOM 0 HA TYR A2015 6.873 -4.084 -7.739 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.197 -4.660 -5.299 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.680 -4.081 -6.870 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.326 -5.790 -8.886 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.812 -6.901 -4.763 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.850 -8.117 -9.586 1.00 0.00 H new ATOM 0 HE2 TYR A2015 4.364 -9.252 -5.449 1.00 0.00 H new ATOM 0 HH TYR A2015 4.082 -10.667 -7.221 1.00 0.00 H new ATOM 1266 N PRO A2016 8.187 -2.264 -6.406 1.00 0.00 N ATOM 1267 CA PRO A2016 8.639 -1.028 -5.774 1.00 0.00 C ATOM 1268 C PRO A2016 7.661 0.137 -5.972 1.00 0.00 C ATOM 1269 O PRO A2016 7.966 1.222 -5.487 1.00 0.00 O ATOM 1270 CB PRO A2016 9.999 -0.755 -6.416 1.00 0.00 C ATOM 1271 CG PRO A2016 9.828 -1.303 -7.828 1.00 0.00 C ATOM 1272 CD PRO A2016 8.952 -2.529 -7.616 1.00 0.00 C ATOM 0 HA PRO A2016 8.702 -1.129 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A2016 10.236 0.309 -6.422 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.805 -1.258 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.353 -0.577 -8.488 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.786 -1.564 -8.278 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.292 -2.691 -8.468 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.558 -3.429 -7.507 1.00 0.00 H new ATOM 1280 N THR A2017 6.544 -0.034 -6.693 1.00 0.00 N ATOM 1281 CA THR A2017 5.551 1.012 -6.907 1.00 0.00 C ATOM 1282 C THR A2017 4.198 0.481 -6.418 1.00 0.00 C ATOM 1283 O THR A2017 3.954 -0.726 -6.385 1.00 0.00 O ATOM 1284 CB THR A2017 5.526 1.528 -8.357 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.762 0.710 -9.216 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.882 1.672 -9.034 1.00 0.00 C ATOM 0 H THR A2017 6.308 -0.916 -7.147 1.00 0.00 H new ATOM 0 HA THR A2017 5.815 1.897 -6.328 1.00 0.00 H new ATOM 0 HB THR A2017 5.086 2.516 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A2017 5.355 0.091 -9.691 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.744 2.042 -10.050 1.00 0.00 H new ATOM 0 HG22 THR A2017 7.496 2.375 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.378 0.702 -9.065 1.00 0.00 H new ATOM 1294 N LEU A2018 3.285 1.372 -6.038 1.00 0.00 N ATOM 1295 CA LEU A2018 1.954 1.044 -5.516 1.00 0.00 C ATOM 1296 C LEU A2018 1.093 0.327 -6.520 1.00 0.00 C ATOM 1297 O LEU A2018 0.282 -0.505 -6.122 1.00 0.00 O ATOM 1298 CB LEU A2018 1.160 2.331 -5.259 1.00 0.00 C ATOM 1299 CG LEU A2018 1.930 3.379 -4.487 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.178 4.679 -4.435 1.00 0.00 C ATOM 1301 CD2 LEU A2018 2.092 2.934 -3.062 1.00 0.00 C ATOM 0 H LEU A2018 3.454 2.377 -6.085 1.00 0.00 H new ATOM 0 HA LEU A2018 2.143 0.437 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.850 2.752 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A2018 0.252 2.083 -4.710 1.00 0.00 H new ATOM 0 HG LEU A2018 2.888 3.511 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.757 5.412 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.014 5.045 -5.448 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.217 4.524 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.647 3.689 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A2018 1.110 2.799 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.637 1.990 -3.035 1.00 0.00 H new ATOM 1313 N LEU A2019 1.213 0.697 -7.792 1.00 0.00 N ATOM 1314 CA LEU A2019 0.416 0.127 -8.864 1.00 0.00 C ATOM 1315 C LEU A2019 0.527 -1.392 -8.863 1.00 0.00 C ATOM 1316 O LEU A2019 -0.481 -2.095 -8.819 1.00 0.00 O ATOM 1317 CB LEU A2019 0.847 0.780 -10.184 1.00 0.00 C ATOM 1318 CG LEU A2019 0.404 2.253 -10.259 1.00 0.00 C ATOM 1319 CD1 LEU A2019 1.195 2.984 -11.331 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.080 2.482 -10.529 1.00 0.00 C ATOM 0 H LEU A2019 1.874 1.408 -8.106 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.644 0.338 -8.721 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.931 0.720 -10.283 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.419 0.228 -11.021 1.00 0.00 H new ATOM 0 HG LEU A2019 0.601 2.643 -9.260 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.873 4.024 -11.375 1.00 0.00 H new ATOM 0 HD12 LEU A2019 2.257 2.943 -11.091 1.00 0.00 H new ATOM 0 HD13 LEU A2019 1.023 2.510 -12.297 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.283 3.552 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.350 2.032 -11.485 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -1.669 2.025 -9.734 1.00 0.00 H new ATOM 1332 N GLU A2020 1.749 -1.895 -8.924 1.00 0.00 N ATOM 1333 CA GLU A2020 2.067 -3.311 -8.921 1.00 0.00 C ATOM 1334 C GLU A2020 1.913 -3.898 -7.509 1.00 0.00 C ATOM 1335 O GLU A2020 1.417 -5.020 -7.367 1.00 0.00 O ATOM 1336 CB GLU A2020 3.445 -3.544 -9.562 1.00 0.00 C ATOM 1337 CG GLU A2020 4.432 -2.394 -9.347 1.00 0.00 C ATOM 1338 CD GLU A2020 5.753 -2.498 -10.091 1.00 0.00 C ATOM 1339 OE1 GLU A2020 6.267 -3.616 -10.315 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.235 -1.409 -10.487 1.00 0.00 O ATOM 0 H GLU A2020 2.578 -1.304 -8.979 1.00 0.00 H new ATOM 0 HA GLU A2020 1.354 -3.857 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.874 -4.459 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.315 -3.702 -10.633 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.945 -1.464 -9.641 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.644 -2.319 -8.280 1.00 0.00 H new ATOM 1347 N LEU A2021 2.266 -3.134 -6.460 1.00 0.00 N ATOM 1348 CA LEU A2021 2.166 -3.582 -5.071 1.00 0.00 C ATOM 1349 C LEU A2021 0.720 -3.964 -4.765 1.00 0.00 C ATOM 1350 O LEU A2021 0.462 -5.093 -4.346 1.00 0.00 O ATOM 1351 CB LEU A2021 2.677 -2.541 -4.075 1.00 0.00 C ATOM 1352 CG LEU A2021 2.993 -3.185 -2.705 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.475 -3.528 -2.589 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.687 -2.206 -1.587 1.00 0.00 C ATOM 0 H LEU A2021 2.629 -2.186 -6.559 1.00 0.00 H new ATOM 0 HA LEU A2021 2.810 -4.454 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.574 -2.064 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.929 -1.758 -3.948 1.00 0.00 H new ATOM 0 HG LEU A2021 2.384 -4.086 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.669 -3.979 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.748 -4.231 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.068 -2.619 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A2021 2.913 -2.669 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.296 -1.311 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.632 -1.934 -1.620 1.00 0.00 H new ATOM 1366 N SER A2022 -0.203 -3.015 -4.959 1.00 0.00 N ATOM 1367 CA SER A2022 -1.632 -3.191 -4.736 1.00 0.00 C ATOM 1368 C SER A2022 -2.171 -4.278 -5.656 1.00 0.00 C ATOM 1369 O SER A2022 -3.033 -5.045 -5.231 1.00 0.00 O ATOM 1370 CB SER A2022 -2.411 -1.882 -4.945 1.00 0.00 C ATOM 1371 OG SER A2022 -2.206 -1.307 -6.220 1.00 0.00 O ATOM 0 H SER A2022 0.036 -2.079 -5.285 1.00 0.00 H new ATOM 0 HA SER A2022 -1.772 -3.491 -3.698 1.00 0.00 H new ATOM 0 HB2 SER A2022 -3.475 -2.075 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.115 -1.165 -4.179 1.00 0.00 H new ATOM 0 HG SER A2022 -1.435 -0.703 -6.186 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.622 -4.374 -6.873 1.00 0.00 N ATOM 1378 CA GLY A2023 -1.996 -5.345 -7.880 1.00 0.00 C ATOM 1379 C GLY A2023 -1.889 -6.734 -7.285 1.00 0.00 C ATOM 1380 O GLY A2023 -2.838 -7.506 -7.395 1.00 0.00 O ATOM 0 H GLY A2023 -0.878 -3.749 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.014 -5.159 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.345 -5.256 -8.750 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.770 -7.036 -6.623 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.573 -8.331 -6.004 1.00 0.00 C ATOM 1386 C TYR A2024 -1.445 -8.480 -4.761 1.00 0.00 C ATOM 1387 O TYR A2024 -2.196 -9.443 -4.697 1.00 0.00 O ATOM 1388 CB TYR A2024 0.907 -8.563 -5.680 1.00 0.00 C ATOM 1389 CG TYR A2024 1.207 -9.932 -5.090 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.695 -11.082 -5.720 1.00 0.00 C ATOM 1391 CD2 TYR A2024 1.993 -10.074 -3.927 1.00 0.00 C ATOM 1392 CE1 TYR A2024 0.956 -12.361 -5.208 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.252 -11.355 -3.408 1.00 0.00 C ATOM 1394 CZ TYR A2024 1.730 -12.504 -4.041 1.00 0.00 C ATOM 1395 OH TYR A2024 1.961 -13.745 -3.536 1.00 0.00 O ATOM 0 H TYR A2024 0.012 -6.392 -6.506 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.880 -9.097 -6.716 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.491 -8.436 -6.591 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.239 -7.797 -4.979 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.093 -10.978 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.395 -9.200 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A2024 0.564 -13.234 -5.708 1.00 0.00 H new ATOM 0 HE2 TYR A2024 2.855 -11.461 -2.518 1.00 0.00 H new ATOM 0 HH TYR A2024 2.513 -13.672 -2.729 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.413 -7.524 -3.822 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.183 -7.570 -2.572 1.00 0.00 C ATOM 1407 C ILE A2025 -3.647 -7.886 -2.839 1.00 0.00 C ATOM 1408 O ILE A2025 -4.192 -8.776 -2.186 1.00 0.00 O ATOM 1409 CB ILE A2025 -2.048 -6.227 -1.811 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.597 -6.023 -1.333 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.994 -6.096 -0.599 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.396 -4.711 -0.568 1.00 0.00 C ATOM 0 H ILE A2025 -0.842 -6.684 -3.912 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.777 -8.369 -1.952 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.334 -5.457 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.311 -6.858 -0.693 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.069 -6.040 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.839 -5.129 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -4.028 -6.173 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.784 -6.893 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.646 -4.626 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.652 -3.871 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -1.038 -4.701 0.313 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.273 -7.173 -3.776 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.668 -7.364 -4.124 1.00 0.00 C ATOM 1426 C ALA A2026 -5.942 -8.821 -4.475 1.00 0.00 C ATOM 1427 O ALA A2026 -6.975 -9.333 -4.082 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.044 -6.399 -5.259 1.00 0.00 C ATOM 0 H ALA A2026 -3.814 -6.440 -4.317 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.300 -7.133 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.092 -6.539 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.887 -5.372 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.420 -6.600 -6.130 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.033 -9.507 -5.165 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.214 -10.901 -5.561 1.00 0.00 C ATOM 1436 C GLN A2027 -5.137 -11.838 -4.358 1.00 0.00 C ATOM 1437 O GLN A2027 -5.765 -12.893 -4.372 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.139 -11.310 -6.580 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.148 -10.446 -7.847 1.00 0.00 C ATOM 1440 CD GLN A2027 -2.874 -10.537 -8.691 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -1.974 -11.342 -8.451 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -2.764 -9.722 -9.726 1.00 0.00 N ATOM 0 H GLN A2027 -4.144 -9.108 -5.467 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.204 -10.986 -6.009 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.158 -11.244 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.289 -12.353 -6.858 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -4.998 -10.738 -8.464 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -4.304 -9.406 -7.560 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -3.507 -9.053 -9.930 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -1.937 -9.762 -10.321 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.355 -11.478 -3.340 1.00 0.00 N ATOM 1452 CA ILE A2028 -4.179 -12.282 -2.136 1.00 0.00 C ATOM 1453 C ILE A2028 -5.453 -12.212 -1.309 1.00 0.00 C ATOM 1454 O ILE A2028 -6.040 -13.248 -1.002 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.995 -11.763 -1.291 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.726 -11.561 -2.122 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.689 -12.688 -0.102 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.616 -10.850 -1.348 1.00 0.00 C ATOM 0 H ILE A2028 -3.821 -10.609 -3.331 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.968 -13.310 -2.429 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.310 -10.792 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.362 -12.531 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.969 -10.982 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.850 -12.286 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.565 -12.753 0.543 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.435 -13.682 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.258 -10.735 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.965 -9.867 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.348 -11.440 -0.471 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.905 -10.999 -0.961 1.00 0.00 N ATOM 1471 CA LEU A2029 -7.119 -10.871 -0.162 1.00 0.00 C ATOM 1472 C LEU A2029 -8.318 -11.387 -0.929 1.00 0.00 C ATOM 1473 O LEU A2029 -9.192 -12.006 -0.327 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.379 -9.468 0.387 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.278 -8.284 -0.579 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.568 -7.988 -1.351 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.845 -7.055 0.209 1.00 0.00 C ATOM 0 H LEU A2029 -5.458 -10.118 -1.215 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.954 -11.491 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -8.379 -9.460 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.677 -9.294 1.202 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.543 -8.552 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.409 -7.136 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.846 -8.860 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.368 -7.758 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.768 -6.200 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.581 -6.842 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.876 -7.242 0.671 1.00 0.00 H new ATOM 1489 N SER A2030 -8.322 -11.218 -2.252 1.00 0.00 N ATOM 1490 CA SER A2030 -9.436 -11.696 -3.052 1.00 0.00 C ATOM 1491 C SER A2030 -9.480 -13.230 -3.043 1.00 0.00 C ATOM 1492 O SER A2030 -10.513 -13.819 -3.370 1.00 0.00 O ATOM 1493 CB SER A2030 -9.325 -11.141 -4.469 1.00 0.00 C ATOM 1494 OG SER A2030 -9.844 -9.825 -4.557 1.00 0.00 O ATOM 0 H SER A2030 -7.578 -10.761 -2.779 1.00 0.00 H new ATOM 0 HA SER A2030 -10.373 -11.342 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A2030 -8.280 -11.142 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A2030 -9.863 -11.792 -5.158 1.00 0.00 H new ATOM 0 HG SER A2030 -9.118 -9.178 -4.436 1.00 0.00 H new ATOM 1500 N SER A2031 -8.375 -13.886 -2.671 1.00 0.00 N ATOM 1501 CA SER A2031 -8.283 -15.333 -2.597 1.00 0.00 C ATOM 1502 C SER A2031 -8.554 -15.815 -1.171 1.00 0.00 C ATOM 1503 O SER A2031 -8.861 -16.992 -0.988 1.00 0.00 O ATOM 1504 CB SER A2031 -6.933 -15.820 -3.112 1.00 0.00 C ATOM 1505 OG SER A2031 -7.029 -17.192 -3.456 1.00 0.00 O ATOM 0 H SER A2031 -7.511 -13.411 -2.411 1.00 0.00 H new ATOM 0 HA SER A2031 -9.049 -15.763 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.630 -15.236 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A2031 -6.167 -15.677 -2.350 1.00 0.00 H new ATOM 0 HG SER A2031 -7.507 -17.674 -2.749 1.00 0.00 H new