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: A2011 LYS NZ :NH3+ 179:sc= 2.75 (180deg=2.67) USER MOD Set 1.2: A2015 TYR OH : rot -136:sc= 0.743 USER MOD Set 2.1: A1964 GLN : amide:sc= 0.201 X(o=1.5,f=1.1) USER MOD Set 2.2: A2002 THR OG1 : rot 68:sc= 1.32 USER MOD Single : A1955 SER OG : rot 17:sc= 0.321 USER MOD Single : A1958 LYS NZ :NH3+ -152:sc= 0.867 (180deg=0.266) USER MOD Single : A1959 GLN : amide:sc= -0.0705 X(o=-0.071,f=-0.071) USER MOD Single : A1962 LYS NZ :NH3+ 146:sc= -1.73 (180deg=-2.88!) USER MOD Single : A1963 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 140:sc= 0.0903 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.8) 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 -129:sc= 0.0199 USER MOD Single : A1997 THR OG1 : rot 79:sc= 0.116 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0 USER MOD Single : A2000 ASN : amide:sc= -0.878 K(o=-0.88,f=-7.1!) USER MOD Single : A2001 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A2003 TYR OH : rot 180:sc=-0.00128 USER MOD Single : A2004 ASN : amide:sc= -0.0749 X(o=-0.075,f=-0.075) USER MOD Single : A2006 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A2008 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2010 THR OG1 : rot 180:sc= 0 USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2017 THR OG1 : rot -91:sc= 0.424 USER MOD Single : A2022 SER OG : rot -140:sc= -0.181 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0 X(o=0,f=-0.18) 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 -8.443 -0.253 -5.276 1.00 0.00 N ATOM 286 CA SER A1955 -8.317 1.167 -5.017 1.00 0.00 C ATOM 287 C SER A1955 -8.223 1.439 -3.508 1.00 0.00 C ATOM 288 O SER A1955 -7.421 2.276 -3.102 1.00 0.00 O ATOM 289 CB SER A1955 -9.519 1.893 -5.623 1.00 0.00 C ATOM 290 OG SER A1955 -9.952 1.367 -6.872 1.00 0.00 O ATOM 0 HA SER A1955 -7.401 1.538 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A1955 -10.348 1.850 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A1955 -9.265 2.945 -5.753 1.00 0.00 H new ATOM 0 HG SER A1955 -9.581 0.468 -6.995 1.00 0.00 H new ATOM 296 N GLU A1956 -9.028 0.733 -2.700 1.00 0.00 N ATOM 297 CA GLU A1956 -9.085 0.857 -1.241 1.00 0.00 C ATOM 298 C GLU A1956 -7.725 0.504 -0.641 1.00 0.00 C ATOM 299 O GLU A1956 -7.263 1.166 0.285 1.00 0.00 O ATOM 300 CB GLU A1956 -10.176 -0.062 -0.655 1.00 0.00 C ATOM 301 CG GLU A1956 -11.603 0.256 -1.120 1.00 0.00 C ATOM 302 CD GLU A1956 -12.292 1.396 -0.362 1.00 0.00 C ATOM 303 OE1 GLU A1956 -11.618 2.123 0.409 1.00 0.00 O ATOM 304 OE2 GLU A1956 -13.498 1.615 -0.628 1.00 0.00 O ATOM 0 H GLU A1956 -9.679 0.036 -3.060 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.336 1.887 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.944 -1.093 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -10.140 0.003 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.576 0.509 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -12.210 -0.644 -1.022 1.00 0.00 H new ATOM 311 N ILE A1957 -7.055 -0.518 -1.169 1.00 0.00 N ATOM 312 CA ILE A1957 -5.744 -0.923 -0.683 1.00 0.00 C ATOM 313 C ILE A1957 -4.739 0.136 -1.098 1.00 0.00 C ATOM 314 O ILE A1957 -3.991 0.639 -0.272 1.00 0.00 O ATOM 315 CB ILE A1957 -5.357 -2.270 -1.310 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.302 -3.365 -0.811 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.880 -2.667 -1.086 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.380 -4.474 -1.863 1.00 0.00 C ATOM 0 H ILE A1957 -7.406 -1.084 -1.942 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.759 -1.028 0.402 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.462 -2.153 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -5.943 -3.769 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.293 -2.951 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.686 -3.630 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.229 -1.910 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.681 -2.742 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.052 -5.259 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.757 -4.062 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.387 -4.892 -2.025 1.00 0.00 H new ATOM 330 N LYS A1958 -4.725 0.489 -2.383 1.00 0.00 N ATOM 331 CA LYS A1958 -3.805 1.454 -2.963 1.00 0.00 C ATOM 332 C LYS A1958 -3.725 2.737 -2.140 1.00 0.00 C ATOM 333 O LYS A1958 -2.632 3.167 -1.767 1.00 0.00 O ATOM 334 CB LYS A1958 -4.215 1.710 -4.414 1.00 0.00 C ATOM 335 CG LYS A1958 -3.207 2.612 -5.128 1.00 0.00 C ATOM 336 CD LYS A1958 -3.631 2.917 -6.561 1.00 0.00 C ATOM 337 CE LYS A1958 -4.999 3.607 -6.635 1.00 0.00 C ATOM 338 NZ LYS A1958 -5.240 4.193 -7.966 1.00 0.00 N ATOM 0 H LYS A1958 -5.374 0.097 -3.065 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.795 1.044 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -4.295 0.761 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -5.201 2.173 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -3.100 3.545 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -2.229 2.130 -5.134 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.881 3.553 -7.031 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -3.664 1.989 -7.132 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.784 2.886 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -5.054 4.389 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.879 5.008 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -4.337 4.505 -8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -5.674 3.480 -8.586 1.00 0.00 H new ATOM 352 N GLN A1959 -4.875 3.345 -1.858 1.00 0.00 N ATOM 353 CA GLN A1959 -4.915 4.573 -1.084 1.00 0.00 C ATOM 354 C GLN A1959 -4.409 4.342 0.352 1.00 0.00 C ATOM 355 O GLN A1959 -3.711 5.211 0.878 1.00 0.00 O ATOM 356 CB GLN A1959 -6.331 5.174 -1.117 1.00 0.00 C ATOM 357 CG GLN A1959 -7.389 4.253 -0.495 1.00 0.00 C ATOM 358 CD GLN A1959 -8.837 4.623 -0.796 1.00 0.00 C ATOM 359 OE1 GLN A1959 -9.261 4.789 -1.937 1.00 0.00 O ATOM 360 NE2 GLN A1959 -9.644 4.715 0.238 1.00 0.00 N ATOM 0 H GLN A1959 -5.789 3.004 -2.156 1.00 0.00 H new ATOM 0 HA GLN A1959 -4.239 5.298 -1.537 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -6.328 6.126 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.605 5.387 -2.150 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.212 3.236 -0.845 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -7.251 4.247 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -9.282 4.575 1.181 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -10.632 4.926 0.097 1.00 0.00 H new ATOM 369 N VAL A1960 -4.748 3.215 0.998 1.00 0.00 N ATOM 370 CA VAL A1960 -4.296 2.919 2.359 1.00 0.00 C ATOM 371 C VAL A1960 -2.778 2.770 2.334 1.00 0.00 C ATOM 372 O VAL A1960 -2.093 3.370 3.159 1.00 0.00 O ATOM 373 CB VAL A1960 -4.953 1.639 2.915 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.247 1.104 4.173 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.410 1.908 3.278 1.00 0.00 C ATOM 0 H VAL A1960 -5.339 2.490 0.591 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.589 3.736 3.018 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.873 0.891 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -4.753 0.203 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.209 0.869 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.277 1.861 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -6.862 0.996 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.458 2.690 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.953 2.230 2.389 1.00 0.00 H new ATOM 385 N LEU A1961 -2.243 1.997 1.379 1.00 0.00 N ATOM 386 CA LEU A1961 -0.821 1.766 1.220 1.00 0.00 C ATOM 387 C LEU A1961 -0.113 3.116 1.230 1.00 0.00 C ATOM 388 O LEU A1961 0.867 3.262 1.951 1.00 0.00 O ATOM 389 CB LEU A1961 -0.471 1.074 -0.101 1.00 0.00 C ATOM 390 CG LEU A1961 -0.801 -0.400 -0.302 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.382 -0.790 -1.723 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.157 -1.274 0.775 1.00 0.00 C ATOM 0 H LEU A1961 -2.809 1.509 0.685 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.506 1.117 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.967 1.628 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.602 1.189 -0.252 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.873 -0.566 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.608 -1.843 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.928 -0.181 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.688 -0.624 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.415 -2.318 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.926 -1.157 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.523 -0.971 1.756 1.00 0.00 H new ATOM 404 N LYS A1962 -0.598 4.093 0.444 1.00 0.00 N ATOM 405 CA LYS A1962 0.005 5.414 0.371 1.00 0.00 C ATOM 406 C LYS A1962 0.166 5.997 1.770 1.00 0.00 C ATOM 407 O LYS A1962 1.250 6.461 2.113 1.00 0.00 O ATOM 408 CB LYS A1962 -0.805 6.351 -0.543 1.00 0.00 C ATOM 409 CG LYS A1962 0.094 7.537 -0.916 1.00 0.00 C ATOM 410 CD LYS A1962 -0.599 8.651 -1.689 1.00 0.00 C ATOM 411 CE LYS A1962 -0.937 8.398 -3.147 1.00 0.00 C ATOM 412 NZ LYS A1962 0.140 7.843 -3.964 1.00 0.00 N ATOM 0 H LYS A1962 -1.417 3.979 -0.153 1.00 0.00 H new ATOM 0 HA LYS A1962 0.996 5.316 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -1.131 5.822 -1.439 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.704 6.699 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.514 7.956 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A1962 0.929 7.168 -1.511 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.525 8.894 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.035 9.536 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -1.787 7.718 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -1.258 9.339 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -0.261 7.203 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 0.650 8.616 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 0.799 7.315 -3.357 1.00 0.00 H new ATOM 426 N GLN A1963 -0.901 5.963 2.565 1.00 0.00 N ATOM 427 CA GLN A1963 -0.913 6.495 3.913 1.00 0.00 C ATOM 428 C GLN A1963 0.040 5.753 4.855 1.00 0.00 C ATOM 429 O GLN A1963 0.678 6.371 5.701 1.00 0.00 O ATOM 430 CB GLN A1963 -2.376 6.515 4.439 1.00 0.00 C ATOM 431 CG GLN A1963 -2.670 5.623 5.663 1.00 0.00 C ATOM 432 CD GLN A1963 -4.110 5.703 6.155 1.00 0.00 C ATOM 433 OE1 GLN A1963 -4.956 4.898 5.766 1.00 0.00 O ATOM 434 NE2 GLN A1963 -4.435 6.637 7.031 1.00 0.00 N ATOM 0 H GLN A1963 -1.792 5.557 2.280 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.535 7.517 3.885 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.635 7.543 4.693 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -3.037 6.212 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.440 4.588 5.409 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.002 5.908 6.476 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -3.732 7.303 7.351 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -5.389 6.692 7.387 1.00 0.00 H new ATOM 443 N GLN A1964 0.139 4.431 4.743 1.00 0.00 N ATOM 444 CA GLN A1964 0.978 3.633 5.627 1.00 0.00 C ATOM 445 C GLN A1964 2.445 3.889 5.340 1.00 0.00 C ATOM 446 O GLN A1964 3.275 3.927 6.248 1.00 0.00 O ATOM 447 CB GLN A1964 0.640 2.144 5.452 1.00 0.00 C ATOM 448 CG GLN A1964 -0.832 1.836 5.766 1.00 0.00 C ATOM 449 CD GLN A1964 -0.980 0.800 6.868 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.011 1.123 8.051 1.00 0.00 O ATOM 451 NE2 GLN A1964 -1.040 -0.462 6.500 1.00 0.00 N ATOM 0 H GLN A1964 -0.359 3.886 4.039 1.00 0.00 H new ATOM 0 HA GLN A1964 0.783 3.920 6.660 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.861 1.842 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A1964 1.280 1.550 6.105 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.338 2.755 6.063 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.327 1.477 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -1.013 -0.706 5.510 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -1.114 -1.196 7.205 1.00 0.00 H new ATOM 460 N LEU A1965 2.758 3.999 4.052 1.00 0.00 N ATOM 461 CA LEU A1965 4.110 4.234 3.587 1.00 0.00 C ATOM 462 C LEU A1965 4.525 5.668 3.899 1.00 0.00 C ATOM 463 O LEU A1965 5.682 5.892 4.233 1.00 0.00 O ATOM 464 CB LEU A1965 4.211 3.836 2.097 1.00 0.00 C ATOM 465 CG LEU A1965 4.660 4.945 1.149 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.188 5.024 1.113 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.149 4.696 -0.258 1.00 0.00 C ATOM 0 H LEU A1965 2.072 3.926 3.301 1.00 0.00 H new ATOM 0 HA LEU A1965 4.828 3.607 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A1965 4.907 3.002 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.237 3.474 1.769 1.00 0.00 H new ATOM 0 HG LEU A1965 4.248 5.884 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.495 5.819 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.565 5.236 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.593 4.073 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.483 5.500 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.537 3.745 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.060 4.663 -0.249 1.00 0.00 H new ATOM 479 N ALA A1966 3.592 6.625 3.857 1.00 0.00 N ATOM 480 CA ALA A1966 3.898 8.009 4.131 1.00 0.00 C ATOM 481 C ALA A1966 4.581 8.141 5.487 1.00 0.00 C ATOM 482 O ALA A1966 5.687 8.653 5.591 1.00 0.00 O ATOM 483 CB ALA A1966 2.608 8.834 4.100 1.00 0.00 C ATOM 0 H ALA A1966 2.612 6.451 3.632 1.00 0.00 H new ATOM 0 HA ALA A1966 4.579 8.384 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.839 9.879 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.147 8.752 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.918 8.459 4.856 1.00 0.00 H new ATOM 489 N GLU A1967 3.954 7.589 6.515 1.00 0.00 N ATOM 490 CA GLU A1967 4.445 7.644 7.888 1.00 0.00 C ATOM 491 C GLU A1967 5.736 6.846 8.049 1.00 0.00 C ATOM 492 O GLU A1967 6.539 7.096 8.948 1.00 0.00 O ATOM 493 CB GLU A1967 3.325 7.227 8.846 1.00 0.00 C ATOM 494 CG GLU A1967 2.055 7.997 8.482 1.00 0.00 C ATOM 495 CD GLU A1967 0.951 7.971 9.536 1.00 0.00 C ATOM 496 OE1 GLU A1967 0.509 6.849 9.884 1.00 0.00 O ATOM 497 OE2 GLU A1967 0.434 9.057 9.895 1.00 0.00 O ATOM 0 H GLU A1967 3.075 7.081 6.419 1.00 0.00 H new ATOM 0 HA GLU A1967 4.718 8.667 8.146 1.00 0.00 H new ATOM 0 HB2 GLU A1967 3.149 6.154 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A1967 3.612 7.437 9.876 1.00 0.00 H new ATOM 0 HG2 GLU A1967 2.323 9.035 8.286 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.657 7.590 7.553 1.00 0.00 H new ATOM 504 N ALA A1968 5.896 5.822 7.213 1.00 0.00 N ATOM 505 CA ALA A1968 7.088 4.970 7.191 1.00 0.00 C ATOM 506 C ALA A1968 8.290 5.770 6.670 1.00 0.00 C ATOM 507 O ALA A1968 9.439 5.462 6.987 1.00 0.00 O ATOM 508 CB ALA A1968 6.866 3.738 6.322 1.00 0.00 C ATOM 0 H ALA A1968 5.194 5.556 6.523 1.00 0.00 H new ATOM 0 HA ALA A1968 7.288 4.635 8.209 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.767 3.124 6.324 1.00 0.00 H new ATOM 0 HB2 ALA A1968 6.031 3.159 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.641 4.048 5.302 1.00 0.00 H new ATOM 514 N LEU A1969 8.024 6.781 5.839 1.00 0.00 N ATOM 515 CA LEU A1969 9.019 7.677 5.272 1.00 0.00 C ATOM 516 C LEU A1969 8.969 9.021 6.014 1.00 0.00 C ATOM 517 O LEU A1969 9.572 10.000 5.573 1.00 0.00 O ATOM 518 CB LEU A1969 8.832 7.855 3.757 1.00 0.00 C ATOM 519 CG LEU A1969 9.019 6.586 2.912 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.090 6.973 1.438 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.293 5.809 3.257 1.00 0.00 C ATOM 0 H LEU A1969 7.075 7.001 5.536 1.00 0.00 H new ATOM 0 HA LEU A1969 10.007 7.236 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.831 8.246 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.537 8.610 3.408 1.00 0.00 H new ATOM 0 HG LEU A1969 8.167 5.941 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.223 6.076 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.166 7.473 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A1969 9.932 7.646 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.363 4.925 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.163 6.444 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A1969 10.261 5.504 4.303 1.00 0.00 H new ATOM 533 N TYR A1970 8.255 9.065 7.148 1.00 0.00 N ATOM 534 CA TYR A1970 8.066 10.225 8.005 1.00 0.00 C ATOM 535 C TYR A1970 7.579 11.427 7.169 1.00 0.00 C ATOM 536 O TYR A1970 7.943 12.565 7.451 1.00 0.00 O ATOM 537 CB TYR A1970 9.351 10.476 8.831 1.00 0.00 C ATOM 538 CG TYR A1970 9.951 9.243 9.513 1.00 0.00 C ATOM 539 CD1 TYR A1970 10.758 8.351 8.777 1.00 0.00 C ATOM 540 CD2 TYR A1970 9.708 8.974 10.874 1.00 0.00 C ATOM 541 CE1 TYR A1970 11.251 7.169 9.358 1.00 0.00 C ATOM 542 CE2 TYR A1970 10.230 7.808 11.475 1.00 0.00 C ATOM 543 CZ TYR A1970 10.979 6.883 10.711 1.00 0.00 C ATOM 544 OH TYR A1970 11.438 5.729 11.279 1.00 0.00 O ATOM 0 H TYR A1970 7.770 8.241 7.504 1.00 0.00 H new ATOM 0 HA TYR A1970 7.277 10.049 8.736 1.00 0.00 H new ATOM 0 HB2 TYR A1970 10.105 10.908 8.174 1.00 0.00 H new ATOM 0 HB3 TYR A1970 9.130 11.221 9.596 1.00 0.00 H new ATOM 0 HD1 TYR A1970 11.002 8.579 7.750 1.00 0.00 H new ATOM 0 HD2 TYR A1970 9.119 9.663 11.461 1.00 0.00 H new ATOM 0 HE1 TYR A1970 11.838 6.481 8.768 1.00 0.00 H new ATOM 0 HE2 TYR A1970 10.056 7.621 12.524 1.00 0.00 H new ATOM 0 HH TYR A1970 11.160 5.694 12.218 1.00 0.00 H new ATOM 554 N THR A1971 6.774 11.184 6.134 1.00 0.00 N ATOM 555 CA THR A1971 6.212 12.160 5.206 1.00 0.00 C ATOM 556 C THR A1971 4.687 12.016 5.196 1.00 0.00 C ATOM 557 O THR A1971 4.096 11.396 6.088 1.00 0.00 O ATOM 558 CB THR A1971 6.882 11.988 3.823 1.00 0.00 C ATOM 559 OG1 THR A1971 6.627 13.113 3.026 1.00 0.00 O ATOM 560 CG2 THR A1971 6.375 10.788 3.010 1.00 0.00 C ATOM 0 H THR A1971 6.479 10.234 5.908 1.00 0.00 H new ATOM 0 HA THR A1971 6.420 13.184 5.516 1.00 0.00 H new ATOM 0 HB THR A1971 7.938 11.840 4.050 1.00 0.00 H new ATOM 0 HG1 THR A1971 7.434 13.346 2.521 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.901 10.747 2.056 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.559 9.868 3.566 1.00 0.00 H new ATOM 0 HG23 THR A1971 5.305 10.896 2.831 1.00 0.00 H new ATOM 568 N GLU A1972 4.022 12.633 4.224 1.00 0.00 N ATOM 569 CA GLU A1972 2.589 12.598 4.051 1.00 0.00 C ATOM 570 C GLU A1972 2.227 12.082 2.674 1.00 0.00 C ATOM 571 O GLU A1972 2.937 12.285 1.694 1.00 0.00 O ATOM 572 CB GLU A1972 1.997 13.964 4.358 1.00 0.00 C ATOM 573 CG GLU A1972 2.400 15.057 3.363 1.00 0.00 C ATOM 574 CD GLU A1972 1.876 16.407 3.829 1.00 0.00 C ATOM 575 OE1 GLU A1972 0.717 16.448 4.313 1.00 0.00 O ATOM 576 OE2 GLU A1972 2.652 17.384 3.737 1.00 0.00 O ATOM 0 H GLU A1972 4.493 13.191 3.512 1.00 0.00 H new ATOM 0 HA GLU A1972 2.150 11.896 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.910 13.883 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A1972 2.307 14.266 5.359 1.00 0.00 H new ATOM 0 HG2 GLU A1972 3.485 15.092 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A1972 2.002 14.825 2.375 1.00 0.00 H new ATOM 583 N GLU A1973 1.083 11.410 2.590 1.00 0.00 N ATOM 584 CA GLU A1973 0.601 10.866 1.332 1.00 0.00 C ATOM 585 C GLU A1973 0.305 11.971 0.324 1.00 0.00 C ATOM 586 O GLU A1973 0.297 11.729 -0.880 1.00 0.00 O ATOM 587 CB GLU A1973 -0.614 9.953 1.566 1.00 0.00 C ATOM 588 CG GLU A1973 -1.592 10.335 2.676 1.00 0.00 C ATOM 589 CD GLU A1973 -2.305 11.657 2.387 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.276 11.646 1.590 1.00 0.00 O ATOM 591 OE2 GLU A1973 -1.888 12.716 2.911 1.00 0.00 O ATOM 0 H GLU A1973 0.471 11.230 3.386 1.00 0.00 H new ATOM 0 HA GLU A1973 1.392 10.253 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -1.174 9.895 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.243 8.950 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -2.332 9.543 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.054 10.413 3.621 1.00 0.00 H new ATOM 598 N SER A1974 0.126 13.190 0.815 1.00 0.00 N ATOM 599 CA SER A1974 -0.148 14.362 0.013 1.00 0.00 C ATOM 600 C SER A1974 0.971 14.614 -1.008 1.00 0.00 C ATOM 601 O SER A1974 0.715 15.276 -2.018 1.00 0.00 O ATOM 602 CB SER A1974 -0.315 15.575 0.943 1.00 0.00 C ATOM 603 OG SER A1974 -1.516 16.269 0.679 1.00 0.00 O ATOM 0 H SER A1974 0.170 13.390 1.814 1.00 0.00 H new ATOM 0 HA SER A1974 -1.068 14.200 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A1974 -0.306 15.243 1.981 1.00 0.00 H new ATOM 0 HB3 SER A1974 0.532 16.250 0.817 1.00 0.00 H new ATOM 0 HG SER A1974 -1.593 17.033 1.288 1.00 0.00 H new ATOM 609 N GLU A1975 2.180 14.083 -0.775 1.00 0.00 N ATOM 610 CA GLU A1975 3.323 14.256 -1.675 1.00 0.00 C ATOM 611 C GLU A1975 3.796 12.938 -2.314 1.00 0.00 C ATOM 612 O GLU A1975 4.859 12.890 -2.934 1.00 0.00 O ATOM 613 CB GLU A1975 4.439 15.017 -0.951 1.00 0.00 C ATOM 614 CG GLU A1975 5.013 14.310 0.283 1.00 0.00 C ATOM 615 CD GLU A1975 6.285 15.040 0.713 1.00 0.00 C ATOM 616 OE1 GLU A1975 7.370 14.775 0.155 1.00 0.00 O ATOM 617 OE2 GLU A1975 6.209 15.954 1.572 1.00 0.00 O ATOM 0 H GLU A1975 2.391 13.519 0.048 1.00 0.00 H new ATOM 0 HA GLU A1975 3.000 14.860 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A1975 5.250 15.199 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A1975 4.056 15.991 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A1975 4.284 14.311 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A1975 5.234 13.268 0.054 1.00 0.00 H new ATOM 624 N ILE A1976 3.010 11.859 -2.226 1.00 0.00 N ATOM 625 CA ILE A1976 3.384 10.560 -2.786 1.00 0.00 C ATOM 626 C ILE A1976 2.562 10.260 -4.021 1.00 0.00 C ATOM 627 O ILE A1976 1.334 10.319 -3.994 1.00 0.00 O ATOM 628 CB ILE A1976 3.146 9.439 -1.761 1.00 0.00 C ATOM 629 CG1 ILE A1976 3.929 9.703 -0.481 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.441 8.028 -2.318 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.550 8.683 0.579 1.00 0.00 C ATOM 0 H ILE A1976 2.100 11.864 -1.766 1.00 0.00 H new ATOM 0 HA ILE A1976 4.442 10.604 -3.045 1.00 0.00 H new ATOM 0 HB ILE A1976 2.081 9.452 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A1976 4.999 9.650 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.722 10.710 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.253 7.284 -1.544 1.00 0.00 H new ATOM 0 HG22 ILE A1976 2.795 7.832 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.484 7.971 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.114 8.879 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.483 8.757 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A1976 3.780 7.681 0.218 1.00 0.00 H new ATOM 643 N ALA A1977 3.224 9.819 -5.081 1.00 0.00 N ATOM 644 CA ALA A1977 2.571 9.450 -6.325 1.00 0.00 C ATOM 645 C ALA A1977 2.330 7.937 -6.340 1.00 0.00 C ATOM 646 O ALA A1977 2.929 7.196 -5.561 1.00 0.00 O ATOM 647 CB ALA A1977 3.412 9.939 -7.479 1.00 0.00 C ATOM 0 H ALA A1977 4.238 9.707 -5.100 1.00 0.00 H new ATOM 0 HA ALA A1977 1.593 9.922 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A1977 2.932 9.668 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A1977 3.513 11.023 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A1977 4.399 9.480 -7.430 1.00 0.00 H new ATOM 653 N GLU A1978 1.428 7.446 -7.189 1.00 0.00 N ATOM 654 CA GLU A1978 1.104 6.015 -7.269 1.00 0.00 C ATOM 655 C GLU A1978 2.051 5.225 -8.168 1.00 0.00 C ATOM 656 O GLU A1978 2.203 4.024 -7.978 1.00 0.00 O ATOM 657 CB GLU A1978 -0.341 5.831 -7.757 1.00 0.00 C ATOM 658 CG GLU A1978 -1.387 6.601 -6.949 1.00 0.00 C ATOM 659 CD GLU A1978 -2.819 6.244 -7.372 1.00 0.00 C ATOM 660 OE1 GLU A1978 -3.063 5.864 -8.547 1.00 0.00 O ATOM 661 OE2 GLU A1978 -3.711 6.254 -6.499 1.00 0.00 O ATOM 0 H GLU A1978 0.900 8.025 -7.842 1.00 0.00 H new ATOM 0 HA GLU A1978 1.222 5.617 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A1978 -0.402 6.145 -8.799 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.588 4.770 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -1.258 6.384 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -1.228 7.672 -7.077 1.00 0.00 H new ATOM 668 N ASP A1979 2.695 5.915 -9.105 1.00 0.00 N ATOM 669 CA ASP A1979 3.646 5.423 -10.102 1.00 0.00 C ATOM 670 C ASP A1979 5.093 5.805 -9.744 1.00 0.00 C ATOM 671 O ASP A1979 6.017 5.596 -10.533 1.00 0.00 O ATOM 672 CB ASP A1979 3.218 6.035 -11.447 1.00 0.00 C ATOM 673 CG ASP A1979 4.061 5.585 -12.639 1.00 0.00 C ATOM 674 OD1 ASP A1979 4.206 4.361 -12.859 1.00 0.00 O ATOM 675 OD2 ASP A1979 4.524 6.454 -13.417 1.00 0.00 O ATOM 0 H ASP A1979 2.553 6.921 -9.195 1.00 0.00 H new ATOM 0 HA ASP A1979 3.633 4.334 -10.146 1.00 0.00 H new ATOM 0 HB2 ASP A1979 2.176 5.776 -11.635 1.00 0.00 H new ATOM 0 HB3 ASP A1979 3.268 7.121 -11.371 1.00 0.00 H new ATOM 680 N GLN A1980 5.296 6.444 -8.590 1.00 0.00 N ATOM 681 CA GLN A1980 6.625 6.859 -8.128 1.00 0.00 C ATOM 682 C GLN A1980 7.171 5.768 -7.221 1.00 0.00 C ATOM 683 O GLN A1980 6.420 5.163 -6.450 1.00 0.00 O ATOM 684 CB GLN A1980 6.588 8.225 -7.442 1.00 0.00 C ATOM 685 CG GLN A1980 7.982 8.717 -7.024 1.00 0.00 C ATOM 686 CD GLN A1980 7.992 10.188 -6.621 1.00 0.00 C ATOM 687 OE1 GLN A1980 6.960 10.772 -6.289 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.161 10.800 -6.618 1.00 0.00 N ATOM 0 H GLN A1980 4.543 6.689 -7.947 1.00 0.00 H new ATOM 0 HA GLN A1980 7.292 6.984 -8.981 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.137 8.953 -8.116 1.00 0.00 H new ATOM 0 HB3 GLN A1980 5.948 8.167 -6.561 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.340 8.114 -6.190 1.00 0.00 H new ATOM 0 HG3 GLN A1980 8.678 8.566 -7.849 1.00 0.00 H new ATOM 0 HE21 GLN A1980 10.002 10.295 -6.897 1.00 0.00 H new ATOM 0 HE22 GLN A1980 9.224 11.778 -6.336 1.00 0.00 H new ATOM 697 N LYS A1981 8.469 5.504 -7.320 1.00 0.00 N ATOM 698 CA LYS A1981 9.107 4.461 -6.541 1.00 0.00 C ATOM 699 C LYS A1981 9.312 4.883 -5.101 1.00 0.00 C ATOM 700 O LYS A1981 9.754 5.999 -4.852 1.00 0.00 O ATOM 701 CB LYS A1981 10.424 4.056 -7.195 1.00 0.00 C ATOM 702 CG LYS A1981 10.078 3.475 -8.565 1.00 0.00 C ATOM 703 CD LYS A1981 11.178 2.607 -9.139 1.00 0.00 C ATOM 704 CE LYS A1981 10.521 1.920 -10.325 1.00 0.00 C ATOM 705 NZ LYS A1981 11.480 1.059 -11.038 1.00 0.00 N ATOM 0 H LYS A1981 9.102 6.007 -7.941 1.00 0.00 H new ATOM 0 HA LYS A1981 8.446 3.594 -6.523 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.086 4.916 -7.296 1.00 0.00 H new ATOM 0 HB3 LYS A1981 10.948 3.321 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.165 2.886 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A1981 9.870 4.291 -9.257 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.037 3.203 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS A1981 11.539 1.884 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A1981 9.677 1.322 -9.981 1.00 0.00 H new ATOM 0 HE3 LYS A1981 10.123 2.670 -11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 11.005 0.603 -11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.273 1.636 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 11.840 0.330 -10.390 1.00 0.00 H new ATOM 719 N PHE A1982 9.048 3.998 -4.146 1.00 0.00 N ATOM 720 CA PHE A1982 9.249 4.291 -2.729 1.00 0.00 C ATOM 721 C PHE A1982 10.732 4.583 -2.503 1.00 0.00 C ATOM 722 O PHE A1982 11.068 5.476 -1.731 1.00 0.00 O ATOM 723 CB PHE A1982 8.799 3.133 -1.843 1.00 0.00 C ATOM 724 CG PHE A1982 7.498 2.494 -2.238 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.366 3.302 -2.377 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.421 1.113 -2.488 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.152 2.714 -2.756 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.197 0.529 -2.854 1.00 0.00 C ATOM 729 CZ PHE A1982 5.052 1.329 -2.978 1.00 0.00 C ATOM 0 H PHE A1982 8.690 3.061 -4.330 1.00 0.00 H new ATOM 0 HA PHE A1982 8.644 5.156 -2.457 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.577 2.369 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.712 3.493 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.426 4.365 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.305 0.499 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.277 3.336 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.138 -0.533 -3.039 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.103 0.886 -3.241 1.00 0.00 H new ATOM 739 N VAL A1983 11.637 3.861 -3.174 1.00 0.00 N ATOM 740 CA VAL A1983 13.073 4.089 -3.039 1.00 0.00 C ATOM 741 C VAL A1983 13.393 5.532 -3.452 1.00 0.00 C ATOM 742 O VAL A1983 14.333 6.117 -2.915 1.00 0.00 O ATOM 743 CB VAL A1983 13.908 3.051 -3.823 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.821 1.649 -3.211 1.00 0.00 C ATOM 745 CG2 VAL A1983 13.544 2.948 -5.310 1.00 0.00 C ATOM 0 H VAL A1983 11.394 3.110 -3.819 1.00 0.00 H new ATOM 0 HA VAL A1983 13.355 3.954 -1.995 1.00 0.00 H new ATOM 0 HB VAL A1983 14.927 3.430 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.425 0.957 -3.799 1.00 0.00 H new ATOM 0 HG12 VAL A1983 14.193 1.675 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.783 1.315 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.175 2.199 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A1983 12.498 2.658 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A1983 13.700 3.914 -5.791 1.00 0.00 H new ATOM 755 N ASP A1984 12.622 6.125 -4.372 1.00 0.00 N ATOM 756 CA ASP A1984 12.810 7.499 -4.834 1.00 0.00 C ATOM 757 C ASP A1984 12.372 8.503 -3.776 1.00 0.00 C ATOM 758 O ASP A1984 12.835 9.638 -3.799 1.00 0.00 O ATOM 759 CB ASP A1984 12.036 7.749 -6.134 1.00 0.00 C ATOM 760 CG ASP A1984 12.580 8.945 -6.906 1.00 0.00 C ATOM 761 OD1 ASP A1984 13.705 8.808 -7.452 1.00 0.00 O ATOM 762 OD2 ASP A1984 11.849 9.940 -7.108 1.00 0.00 O ATOM 0 H ASP A1984 11.838 5.652 -4.822 1.00 0.00 H new ATOM 0 HA ASP A1984 13.875 7.635 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A1984 12.087 6.860 -6.762 1.00 0.00 H new ATOM 0 HB3 ASP A1984 10.984 7.916 -5.902 1.00 0.00 H new ATOM 767 N LEU A1985 11.514 8.064 -2.851 1.00 0.00 N ATOM 768 CA LEU A1985 10.985 8.845 -1.737 1.00 0.00 C ATOM 769 C LEU A1985 11.837 8.645 -0.469 1.00 0.00 C ATOM 770 O LEU A1985 11.779 9.483 0.428 1.00 0.00 O ATOM 771 CB LEU A1985 9.514 8.477 -1.473 1.00 0.00 C ATOM 772 CG LEU A1985 8.561 8.630 -2.671 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.133 8.265 -2.282 1.00 0.00 C ATOM 774 CD2 LEU A1985 8.552 10.047 -3.246 1.00 0.00 C ATOM 0 H LEU A1985 11.155 7.110 -2.862 1.00 0.00 H new ATOM 0 HA LEU A1985 11.032 9.900 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.474 7.443 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.144 9.098 -0.657 1.00 0.00 H new ATOM 0 HG LEU A1985 8.936 7.948 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.479 8.382 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.102 7.230 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A1985 6.795 8.922 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A1985 7.862 10.094 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A1985 8.233 10.750 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A1985 9.555 10.309 -3.584 1.00 0.00 H new ATOM 786 N GLY A1986 12.630 7.564 -0.364 1.00 0.00 N ATOM 787 CA GLY A1986 13.508 7.295 0.784 1.00 0.00 C ATOM 788 C GLY A1986 13.390 5.891 1.369 1.00 0.00 C ATOM 789 O GLY A1986 13.860 5.639 2.476 1.00 0.00 O ATOM 0 H GLY A1986 12.678 6.844 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.541 7.460 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.288 8.019 1.568 1.00 0.00 H new ATOM 793 N LEU A1987 12.756 4.967 0.648 1.00 0.00 N ATOM 794 CA LEU A1987 12.557 3.600 1.110 1.00 0.00 C ATOM 795 C LEU A1987 13.851 2.785 1.070 1.00 0.00 C ATOM 796 O LEU A1987 14.397 2.539 -0.005 1.00 0.00 O ATOM 797 CB LEU A1987 11.460 2.970 0.243 1.00 0.00 C ATOM 798 CG LEU A1987 10.660 1.783 0.796 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.534 0.611 1.181 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.788 2.228 1.964 1.00 0.00 C ATOM 0 H LEU A1987 12.366 5.150 -0.276 1.00 0.00 H new ATOM 0 HA LEU A1987 12.250 3.606 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.749 3.756 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.923 2.648 -0.690 1.00 0.00 H new ATOM 0 HG LEU A1987 10.017 1.429 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.911 -0.197 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A1987 12.081 0.262 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.241 0.921 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.227 1.375 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.419 2.631 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A1987 9.094 2.998 1.627 1.00 0.00 H new ATOM 812 N ASP A1988 14.331 2.337 2.229 1.00 0.00 N ATOM 813 CA ASP A1988 15.543 1.519 2.347 1.00 0.00 C ATOM 814 C ASP A1988 15.152 0.083 2.714 1.00 0.00 C ATOM 815 O ASP A1988 13.984 -0.282 2.838 1.00 0.00 O ATOM 816 CB ASP A1988 16.578 2.116 3.314 1.00 0.00 C ATOM 817 CG ASP A1988 17.970 1.480 3.192 1.00 0.00 C ATOM 818 OD1 ASP A1988 18.792 1.916 2.348 1.00 0.00 O ATOM 819 OD2 ASP A1988 18.258 0.481 3.880 1.00 0.00 O ATOM 0 H ASP A1988 13.885 2.533 3.125 1.00 0.00 H new ATOM 0 HA ASP A1988 16.044 1.508 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A1988 16.660 3.187 3.130 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.220 1.995 4.336 1.00 0.00 H new ATOM 824 N SER A1989 16.143 -0.777 2.821 1.00 0.00 N ATOM 825 CA SER A1989 16.045 -2.185 3.162 1.00 0.00 C ATOM 826 C SER A1989 15.326 -2.360 4.507 1.00 0.00 C ATOM 827 O SER A1989 14.495 -3.255 4.640 1.00 0.00 O ATOM 828 CB SER A1989 17.483 -2.729 3.211 1.00 0.00 C ATOM 829 OG SER A1989 17.601 -4.116 2.939 1.00 0.00 O ATOM 0 H SER A1989 17.109 -0.492 2.661 1.00 0.00 H new ATOM 0 HA SER A1989 15.460 -2.735 2.425 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.090 -2.179 2.492 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.899 -2.529 4.198 1.00 0.00 H new ATOM 0 HG SER A1989 18.543 -4.380 2.988 1.00 0.00 H new ATOM 835 N ILE A1990 15.606 -1.488 5.484 1.00 0.00 N ATOM 836 CA ILE A1990 15.012 -1.563 6.816 1.00 0.00 C ATOM 837 C ILE A1990 13.514 -1.299 6.739 1.00 0.00 C ATOM 838 O ILE A1990 12.716 -2.150 7.132 1.00 0.00 O ATOM 839 CB ILE A1990 15.685 -0.583 7.807 1.00 0.00 C ATOM 840 CG1 ILE A1990 17.225 -0.584 7.707 1.00 0.00 C ATOM 841 CG2 ILE A1990 15.249 -0.888 9.247 1.00 0.00 C ATOM 842 CD1 ILE A1990 17.699 0.694 7.010 1.00 0.00 C ATOM 0 H ILE A1990 16.254 -0.709 5.368 1.00 0.00 H new ATOM 0 HA ILE A1990 15.179 -2.571 7.195 1.00 0.00 H new ATOM 0 HB ILE A1990 15.350 0.416 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.663 -0.650 8.703 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.562 -1.459 7.151 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.732 -0.189 9.929 1.00 0.00 H new ATOM 0 HG22 ILE A1990 14.167 -0.786 9.329 1.00 0.00 H new ATOM 0 HG23 ILE A1990 15.538 -1.907 9.507 1.00 0.00 H new ATOM 0 HD11 ILE A1990 18.787 0.689 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.273 0.742 6.008 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.375 1.563 7.584 1.00 0.00 H new ATOM 854 N VAL A1991 13.160 -0.122 6.219 1.00 0.00 N ATOM 855 CA VAL A1991 11.798 0.358 6.063 1.00 0.00 C ATOM 856 C VAL A1991 10.975 -0.635 5.244 1.00 0.00 C ATOM 857 O VAL A1991 9.827 -0.921 5.578 1.00 0.00 O ATOM 858 CB VAL A1991 11.791 1.758 5.419 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.380 2.360 5.513 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.761 2.753 6.073 1.00 0.00 C ATOM 0 H VAL A1991 13.851 0.548 5.882 1.00 0.00 H new ATOM 0 HA VAL A1991 11.339 0.442 7.048 1.00 0.00 H new ATOM 0 HB VAL A1991 12.112 1.609 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.376 3.350 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.674 1.716 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A1991 10.088 2.441 6.560 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.696 3.714 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.497 2.882 7.123 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.779 2.371 5.999 1.00 0.00 H new ATOM 870 N GLY A1992 11.551 -1.198 4.181 1.00 0.00 N ATOM 871 CA GLY A1992 10.831 -2.138 3.348 1.00 0.00 C ATOM 872 C GLY A1992 10.411 -3.392 4.103 1.00 0.00 C ATOM 873 O GLY A1992 9.341 -3.923 3.818 1.00 0.00 O ATOM 0 H GLY A1992 12.510 -1.015 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.945 -1.651 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.457 -2.421 2.502 1.00 0.00 H new ATOM 877 N VAL A1993 11.218 -3.884 5.043 1.00 0.00 N ATOM 878 CA VAL A1993 10.893 -5.075 5.821 1.00 0.00 C ATOM 879 C VAL A1993 9.766 -4.742 6.800 1.00 0.00 C ATOM 880 O VAL A1993 8.731 -5.404 6.774 1.00 0.00 O ATOM 881 CB VAL A1993 12.170 -5.590 6.529 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.899 -6.734 7.515 1.00 0.00 C ATOM 883 CG2 VAL A1993 13.221 -6.108 5.541 1.00 0.00 C ATOM 0 H VAL A1993 12.116 -3.466 5.285 1.00 0.00 H new ATOM 0 HA VAL A1993 10.537 -5.878 5.175 1.00 0.00 H new ATOM 0 HB VAL A1993 12.538 -4.715 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.836 -7.047 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A1993 11.211 -6.393 8.288 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.457 -7.576 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A1993 14.096 -6.457 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.802 -6.932 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.513 -5.304 4.866 1.00 0.00 H new ATOM 893 N GLU A1994 9.928 -3.728 7.647 1.00 0.00 N ATOM 894 CA GLU A1994 8.896 -3.356 8.619 1.00 0.00 C ATOM 895 C GLU A1994 7.572 -3.016 7.926 1.00 0.00 C ATOM 896 O GLU A1994 6.515 -3.484 8.357 1.00 0.00 O ATOM 897 CB GLU A1994 9.377 -2.226 9.542 1.00 0.00 C ATOM 898 CG GLU A1994 9.895 -1.000 8.779 1.00 0.00 C ATOM 899 CD GLU A1994 10.609 0.031 9.667 1.00 0.00 C ATOM 900 OE1 GLU A1994 11.411 -0.386 10.538 1.00 0.00 O ATOM 901 OE2 GLU A1994 10.436 1.253 9.454 1.00 0.00 O ATOM 0 H GLU A1994 10.765 -3.146 7.682 1.00 0.00 H new ATOM 0 HA GLU A1994 8.707 -4.223 9.253 1.00 0.00 H new ATOM 0 HB2 GLU A1994 8.556 -1.922 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A1994 10.169 -2.605 10.187 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.582 -1.332 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A1994 9.057 -0.515 8.278 1.00 0.00 H new ATOM 908 N TRP A1995 7.615 -2.285 6.809 1.00 0.00 N ATOM 909 CA TRP A1995 6.413 -1.909 6.091 1.00 0.00 C ATOM 910 C TRP A1995 5.754 -3.115 5.436 1.00 0.00 C ATOM 911 O TRP A1995 4.525 -3.205 5.414 1.00 0.00 O ATOM 912 CB TRP A1995 6.735 -0.852 5.043 1.00 0.00 C ATOM 913 CG TRP A1995 5.513 -0.207 4.471 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.562 0.453 5.170 1.00 0.00 C ATOM 915 CD2 TRP A1995 5.085 -0.165 3.081 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.568 0.867 4.307 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.846 0.528 3.001 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.651 -0.609 1.874 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.208 0.772 1.776 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.051 -0.326 0.634 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.838 0.383 0.584 1.00 0.00 C ATOM 0 H TRP A1995 8.479 -1.944 6.387 1.00 0.00 H new ATOM 0 HA TRP A1995 5.709 -1.495 6.813 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.368 -0.086 5.490 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.309 -1.310 4.237 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.578 0.628 6.236 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.728 1.365 4.601 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.567 -1.180 1.899 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.242 1.254 1.750 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.522 -0.654 -0.281 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.392 0.628 -0.369 1.00 0.00 H new ATOM 932 N THR A1996 6.547 -4.053 4.900 1.00 0.00 N ATOM 933 CA THR A1996 5.950 -5.241 4.274 1.00 0.00 C ATOM 934 C THR A1996 5.146 -5.991 5.345 1.00 0.00 C ATOM 935 O THR A1996 4.104 -6.585 5.064 1.00 0.00 O ATOM 936 CB THR A1996 6.976 -6.120 3.529 1.00 0.00 C ATOM 937 OG1 THR A1996 6.416 -6.649 2.333 1.00 0.00 O ATOM 938 CG2 THR A1996 7.539 -7.280 4.356 1.00 0.00 C ATOM 0 H THR A1996 7.566 -4.018 4.886 1.00 0.00 H new ATOM 0 HA THR A1996 5.271 -4.931 3.479 1.00 0.00 H new ATOM 0 HB THR A1996 7.806 -5.448 3.310 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.560 -7.618 2.305 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.251 -7.844 3.754 1.00 0.00 H new ATOM 0 HG22 THR A1996 8.042 -6.887 5.239 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.725 -7.936 4.664 1.00 0.00 H new ATOM 946 N THR A1997 5.614 -5.937 6.592 1.00 0.00 N ATOM 947 CA THR A1997 4.952 -6.579 7.697 1.00 0.00 C ATOM 948 C THR A1997 3.692 -5.784 8.051 1.00 0.00 C ATOM 949 O THR A1997 2.635 -6.398 8.180 1.00 0.00 O ATOM 950 CB THR A1997 5.941 -6.729 8.843 1.00 0.00 C ATOM 951 OG1 THR A1997 7.050 -7.517 8.446 1.00 0.00 O ATOM 952 CG2 THR A1997 5.227 -7.337 10.033 1.00 0.00 C ATOM 0 H THR A1997 6.467 -5.442 6.851 1.00 0.00 H new ATOM 0 HA THR A1997 4.618 -7.586 7.445 1.00 0.00 H new ATOM 0 HB THR A1997 6.327 -5.750 9.126 1.00 0.00 H new ATOM 0 HG1 THR A1997 7.670 -6.969 7.921 1.00 0.00 H new ATOM 0 HG21 THR A1997 5.928 -7.449 10.860 1.00 0.00 H new ATOM 0 HG22 THR A1997 4.408 -6.686 10.337 1.00 0.00 H new ATOM 0 HG23 THR A1997 4.831 -8.315 9.759 1.00 0.00 H new ATOM 960 N THR A1998 3.744 -4.449 8.117 1.00 0.00 N ATOM 961 CA THR A1998 2.573 -3.629 8.426 1.00 0.00 C ATOM 962 C THR A1998 1.453 -3.964 7.439 1.00 0.00 C ATOM 963 O THR A1998 0.286 -4.042 7.820 1.00 0.00 O ATOM 964 CB THR A1998 2.976 -2.140 8.340 1.00 0.00 C ATOM 965 OG1 THR A1998 3.788 -1.815 9.445 1.00 0.00 O ATOM 966 CG2 THR A1998 1.790 -1.173 8.277 1.00 0.00 C ATOM 0 H THR A1998 4.596 -3.911 7.958 1.00 0.00 H new ATOM 0 HA THR A1998 2.209 -3.832 9.433 1.00 0.00 H new ATOM 0 HB THR A1998 3.516 -2.020 7.401 1.00 0.00 H new ATOM 0 HG1 THR A1998 4.048 -0.871 9.394 1.00 0.00 H new ATOM 0 HG21 THR A1998 2.158 -0.149 8.218 1.00 0.00 H new ATOM 0 HG22 THR A1998 1.188 -1.393 7.396 1.00 0.00 H new ATOM 0 HG23 THR A1998 1.179 -1.288 9.172 1.00 0.00 H new ATOM 974 N ILE A1999 1.814 -4.180 6.176 1.00 0.00 N ATOM 975 CA ILE A1999 0.895 -4.516 5.093 1.00 0.00 C ATOM 976 C ILE A1999 0.240 -5.862 5.393 1.00 0.00 C ATOM 977 O ILE A1999 -0.984 -5.990 5.294 1.00 0.00 O ATOM 978 CB ILE A1999 1.682 -4.537 3.761 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.887 -3.094 3.266 1.00 0.00 C ATOM 980 CG2 ILE A1999 0.973 -5.385 2.694 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.851 -3.000 2.080 1.00 0.00 C ATOM 0 H ILE A1999 2.785 -4.124 5.869 1.00 0.00 H new ATOM 0 HA ILE A1999 0.102 -3.773 5.006 1.00 0.00 H new ATOM 0 HB ILE A1999 2.652 -5.000 3.941 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.923 -2.674 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A1999 2.268 -2.485 4.086 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.557 -5.374 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A1999 0.875 -6.411 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A1999 -0.017 -4.972 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A1999 2.954 -1.958 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.826 -3.391 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.460 -3.583 1.246 1.00 0.00 H new ATOM 993 N ASN A2000 1.052 -6.866 5.734 1.00 0.00 N ATOM 994 CA ASN A2000 0.569 -8.202 6.037 1.00 0.00 C ATOM 995 C ASN A2000 -0.406 -8.162 7.179 1.00 0.00 C ATOM 996 O ASN A2000 -1.413 -8.845 7.130 1.00 0.00 O ATOM 997 CB ASN A2000 1.689 -9.126 6.529 1.00 0.00 C ATOM 998 CG ASN A2000 2.702 -9.443 5.473 1.00 0.00 C ATOM 999 OD1 ASN A2000 2.364 -9.534 4.303 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.945 -9.628 5.873 1.00 0.00 N ATOM 0 H ASN A2000 2.065 -6.768 5.806 1.00 0.00 H new ATOM 0 HA ASN A2000 0.129 -8.567 5.109 1.00 0.00 H new ATOM 0 HB2 ASN A2000 2.191 -8.658 7.376 1.00 0.00 H new ATOM 0 HB3 ASN A2000 1.250 -10.055 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.671 -9.857 5.194 1.00 0.00 H new ATOM 0 HD22 ASN A2000 4.181 -9.542 6.862 1.00 0.00 H new ATOM 1007 N GLN A2001 -0.092 -7.391 8.209 1.00 0.00 N ATOM 1008 CA GLN A2001 -0.937 -7.282 9.382 1.00 0.00 C ATOM 1009 C GLN A2001 -2.251 -6.587 9.049 1.00 0.00 C ATOM 1010 O GLN A2001 -3.268 -6.893 9.669 1.00 0.00 O ATOM 1011 CB GLN A2001 -0.181 -6.622 10.543 1.00 0.00 C ATOM 1012 CG GLN A2001 1.090 -7.405 10.916 1.00 0.00 C ATOM 1013 CD GLN A2001 1.292 -7.540 12.419 1.00 0.00 C ATOM 1014 OE1 GLN A2001 1.191 -6.576 13.168 1.00 0.00 O ATOM 1015 NE2 GLN A2001 1.684 -8.711 12.887 1.00 0.00 N ATOM 0 H GLN A2001 0.755 -6.825 8.253 1.00 0.00 H new ATOM 0 HA GLN A2001 -1.200 -8.285 9.717 1.00 0.00 H new ATOM 0 HB2 GLN A2001 0.088 -5.602 10.268 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -0.835 -6.556 11.412 1.00 0.00 H new ATOM 0 HG2 GLN A2001 1.040 -8.399 10.472 1.00 0.00 H new ATOM 0 HG3 GLN A2001 1.957 -6.906 10.483 1.00 0.00 H new ATOM 0 HE21 GLN A2001 1.766 -9.510 12.258 1.00 0.00 H new ATOM 0 HE22 GLN A2001 1.905 -8.817 13.877 1.00 0.00 H new ATOM 1024 N THR A2002 -2.260 -5.708 8.045 1.00 0.00 N ATOM 1025 CA THR A2002 -3.459 -5.003 7.667 1.00 0.00 C ATOM 1026 C THR A2002 -4.452 -5.933 6.964 1.00 0.00 C ATOM 1027 O THR A2002 -5.602 -6.054 7.385 1.00 0.00 O ATOM 1028 CB THR A2002 -3.107 -3.797 6.779 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.280 -2.871 7.449 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.325 -3.015 6.299 1.00 0.00 C ATOM 0 H THR A2002 -1.440 -5.475 7.485 1.00 0.00 H new ATOM 0 HA THR A2002 -3.942 -4.637 8.573 1.00 0.00 H new ATOM 0 HB THR A2002 -2.596 -4.243 5.926 1.00 0.00 H new ATOM 0 HG1 THR A2002 -1.397 -3.269 7.599 1.00 0.00 H new ATOM 0 HG21 THR A2002 -4.000 -2.180 5.679 1.00 0.00 H new ATOM 0 HG22 THR A2002 -4.971 -3.670 5.715 1.00 0.00 H new ATOM 0 HG23 THR A2002 -4.876 -2.635 7.159 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.013 -6.605 5.898 1.00 0.00 N ATOM 1039 CA TYR A2003 -4.856 -7.477 5.092 1.00 0.00 C ATOM 1040 C TYR A2003 -4.761 -8.949 5.469 1.00 0.00 C ATOM 1041 O TYR A2003 -5.365 -9.778 4.789 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.513 -7.238 3.614 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.398 -5.779 3.217 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.523 -4.939 3.273 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.147 -5.249 2.850 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.416 -3.581 2.928 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.029 -3.892 2.510 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.165 -3.052 2.553 1.00 0.00 C ATOM 1049 OH TYR A2003 -4.033 -1.727 2.280 1.00 0.00 O ATOM 0 H TYR A2003 -3.049 -6.555 5.570 1.00 0.00 H new ATOM 0 HA TYR A2003 -5.898 -7.221 5.286 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.570 -7.737 3.389 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.278 -7.709 2.997 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.477 -5.340 3.583 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.276 -5.887 2.830 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -6.289 -2.945 2.950 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.071 -3.490 2.216 1.00 0.00 H new ATOM 0 HH TYR A2003 -3.103 -1.534 2.039 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.048 -9.265 6.552 1.00 0.00 N ATOM 1060 CA ASN A2004 -3.818 -10.599 7.095 1.00 0.00 C ATOM 1061 C ASN A2004 -3.203 -11.516 6.045 1.00 0.00 C ATOM 1062 O ASN A2004 -3.809 -12.497 5.622 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.150 -11.105 7.630 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.016 -12.450 8.326 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.431 -12.556 9.396 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -5.570 -13.502 7.759 1.00 0.00 N ATOM 0 H ASN A2004 -3.586 -8.545 7.108 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.095 -10.576 7.911 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -5.560 -10.376 8.329 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -5.860 -11.193 6.808 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -5.514 -14.414 8.212 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -6.055 -13.404 6.867 1.00 0.00 H new ATOM 1073 N LEU A2005 -1.989 -11.193 5.609 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.239 -11.909 4.578 1.00 0.00 C ATOM 1075 C LEU A2005 0.138 -12.306 5.086 1.00 0.00 C ATOM 1076 O LEU A2005 0.420 -12.206 6.280 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.056 -11.008 3.339 1.00 0.00 C ATOM 1078 CG LEU A2005 -2.248 -10.126 2.973 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -1.832 -9.172 1.867 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -3.499 -10.888 2.557 1.00 0.00 C ATOM 0 H LEU A2005 -1.478 -10.392 5.979 1.00 0.00 H new ATOM 0 HA LEU A2005 -1.803 -12.805 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.191 -10.366 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -0.822 -11.642 2.484 1.00 0.00 H new ATOM 0 HG LEU A2005 -2.525 -9.590 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -2.676 -8.537 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.007 -8.550 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -1.514 -9.743 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -4.292 -10.181 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.279 -11.499 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -3.823 -11.531 3.376 1.00 0.00 H new ATOM 1092 N ASN A2006 0.995 -12.761 4.175 1.00 0.00 N ATOM 1093 CA ASN A2006 2.363 -13.144 4.435 1.00 0.00 C ATOM 1094 C ASN A2006 3.164 -12.677 3.229 1.00 0.00 C ATOM 1095 O ASN A2006 3.001 -13.211 2.134 1.00 0.00 O ATOM 1096 CB ASN A2006 2.500 -14.651 4.580 1.00 0.00 C ATOM 1097 CG ASN A2006 3.974 -14.995 4.687 1.00 0.00 C ATOM 1098 OD1 ASN A2006 4.716 -14.395 5.466 1.00 0.00 O ATOM 1099 ND2 ASN A2006 4.448 -15.901 3.861 1.00 0.00 N ATOM 0 H ASN A2006 0.734 -12.874 3.195 1.00 0.00 H new ATOM 0 HA ASN A2006 2.714 -12.699 5.366 1.00 0.00 H new ATOM 0 HB2 ASN A2006 1.966 -14.996 5.465 1.00 0.00 H new ATOM 0 HB3 ASN A2006 2.055 -15.156 3.722 1.00 0.00 H new ATOM 0 HD21 ASN A2006 5.445 -16.117 3.858 1.00 0.00 H new ATOM 0 HD22 ASN A2006 3.819 -16.388 3.223 1.00 0.00 H new ATOM 1106 N LEU A2007 4.051 -11.712 3.436 1.00 0.00 N ATOM 1107 CA LEU A2007 4.908 -11.112 2.420 1.00 0.00 C ATOM 1108 C LEU A2007 6.240 -10.766 3.058 1.00 0.00 C ATOM 1109 O LEU A2007 6.366 -10.787 4.287 1.00 0.00 O ATOM 1110 CB LEU A2007 4.278 -9.816 1.880 1.00 0.00 C ATOM 1111 CG LEU A2007 2.884 -9.954 1.229 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.239 -8.573 1.088 1.00 0.00 C ATOM 1113 CD2 LEU A2007 2.963 -10.673 -0.124 1.00 0.00 C ATOM 0 H LEU A2007 4.200 -11.307 4.360 1.00 0.00 H new ATOM 0 HA LEU A2007 5.035 -11.818 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A2007 4.203 -9.103 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.958 -9.385 1.145 1.00 0.00 H new ATOM 0 HG LEU A2007 2.259 -10.568 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.256 -8.676 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A2007 2.133 -8.119 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.868 -7.940 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A2007 1.964 -10.752 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.604 -10.107 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.377 -11.671 0.018 1.00 0.00 H new ATOM 1125 N LYS A2008 7.248 -10.467 2.239 1.00 0.00 N ATOM 1126 CA LYS A2008 8.575 -10.104 2.710 1.00 0.00 C ATOM 1127 C LYS A2008 9.125 -8.923 1.926 1.00 0.00 C ATOM 1128 O LYS A2008 8.414 -8.334 1.106 1.00 0.00 O ATOM 1129 CB LYS A2008 9.481 -11.331 2.746 1.00 0.00 C ATOM 1130 CG LYS A2008 9.955 -11.885 1.397 1.00 0.00 C ATOM 1131 CD LYS A2008 11.476 -11.998 1.237 1.00 0.00 C ATOM 1132 CE LYS A2008 12.128 -12.698 2.432 1.00 0.00 C ATOM 1133 NZ LYS A2008 13.302 -13.496 2.047 1.00 0.00 N ATOM 0 H LYS A2008 7.161 -10.471 1.223 1.00 0.00 H new ATOM 0 HA LYS A2008 8.521 -9.754 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A2008 10.361 -11.085 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.954 -12.126 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.516 -12.872 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.569 -11.246 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.705 -12.549 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.904 -11.002 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A2008 12.426 -11.951 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.395 -13.345 2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 13.706 -13.949 2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 13.016 -14.227 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 14.015 -12.877 1.612 1.00 0.00 H new ATOM 1147 N ALA A2009 10.392 -8.584 2.170 1.00 0.00 N ATOM 1148 CA ALA A2009 11.077 -7.475 1.514 1.00 0.00 C ATOM 1149 C ALA A2009 11.077 -7.617 -0.011 1.00 0.00 C ATOM 1150 O ALA A2009 11.110 -6.613 -0.714 1.00 0.00 O ATOM 1151 CB ALA A2009 12.499 -7.354 2.056 1.00 0.00 C ATOM 0 H ALA A2009 10.978 -9.082 2.840 1.00 0.00 H new ATOM 0 HA ALA A2009 10.530 -6.560 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A2009 13.007 -6.525 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.465 -7.172 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A2009 13.042 -8.279 1.862 1.00 0.00 H new ATOM 1157 N THR A2010 10.955 -8.847 -0.523 1.00 0.00 N ATOM 1158 CA THR A2010 10.923 -9.128 -1.950 1.00 0.00 C ATOM 1159 C THR A2010 9.808 -8.305 -2.595 1.00 0.00 C ATOM 1160 O THR A2010 9.994 -7.811 -3.694 1.00 0.00 O ATOM 1161 CB THR A2010 10.770 -10.649 -2.168 1.00 0.00 C ATOM 1162 OG1 THR A2010 11.359 -11.080 -3.371 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.314 -11.117 -2.137 1.00 0.00 C ATOM 0 H THR A2010 10.875 -9.683 0.057 1.00 0.00 H new ATOM 0 HA THR A2010 11.855 -8.835 -2.433 1.00 0.00 H new ATOM 0 HB THR A2010 11.296 -11.101 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A2010 11.239 -12.048 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A2010 9.275 -12.195 -2.296 1.00 0.00 H new ATOM 0 HG22 THR A2010 8.875 -10.877 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A2010 8.753 -10.613 -2.924 1.00 0.00 H new ATOM 1171 N LYS A2011 8.672 -8.104 -1.909 1.00 0.00 N ATOM 1172 CA LYS A2011 7.565 -7.334 -2.458 1.00 0.00 C ATOM 1173 C LYS A2011 7.967 -5.932 -2.828 1.00 0.00 C ATOM 1174 O LYS A2011 7.630 -5.479 -3.913 1.00 0.00 O ATOM 1175 CB LYS A2011 6.424 -7.238 -1.456 1.00 0.00 C ATOM 1176 CG LYS A2011 5.605 -8.505 -1.363 1.00 0.00 C ATOM 1177 CD LYS A2011 4.937 -8.811 -2.703 1.00 0.00 C ATOM 1178 CE LYS A2011 5.664 -9.963 -3.385 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.063 -10.419 -4.661 1.00 0.00 N ATOM 0 H LYS A2011 8.504 -8.469 -0.971 1.00 0.00 H new ATOM 0 HA LYS A2011 7.249 -7.864 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.831 -7.003 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.772 -6.411 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.245 -9.338 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.846 -8.398 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A2011 3.890 -9.070 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A2011 4.956 -7.927 -3.341 1.00 0.00 H new ATOM 0 HE2 LYS A2011 6.694 -9.661 -3.574 1.00 0.00 H new ATOM 0 HE3 LYS A2011 5.701 -10.807 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 5.635 -11.192 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 4.095 -10.758 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 5.036 -9.627 -5.335 1.00 0.00 H new ATOM 1193 N LEU A2012 8.657 -5.252 -1.923 1.00 0.00 N ATOM 1194 CA LEU A2012 9.106 -3.888 -2.160 1.00 0.00 C ATOM 1195 C LEU A2012 10.009 -3.859 -3.389 1.00 0.00 C ATOM 1196 O LEU A2012 9.935 -2.927 -4.189 1.00 0.00 O ATOM 1197 CB LEU A2012 9.810 -3.354 -0.899 1.00 0.00 C ATOM 1198 CG LEU A2012 8.851 -2.709 0.121 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.400 -1.345 -0.417 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.658 -3.619 0.487 1.00 0.00 C ATOM 0 H LEU A2012 8.919 -5.627 -1.011 1.00 0.00 H new ATOM 0 HA LEU A2012 8.258 -3.234 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.342 -4.174 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.559 -2.619 -1.195 1.00 0.00 H new ATOM 0 HG LEU A2012 9.388 -2.566 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.721 -0.879 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.270 -0.705 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A2012 7.888 -1.481 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A2012 7.019 -3.109 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.083 -3.844 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.028 -4.547 0.922 1.00 0.00 H new ATOM 1212 N TYR A2013 10.829 -4.894 -3.558 1.00 0.00 N ATOM 1213 CA TYR A2013 11.748 -5.025 -4.672 1.00 0.00 C ATOM 1214 C TYR A2013 11.062 -5.486 -5.966 1.00 0.00 C ATOM 1215 O TYR A2013 11.619 -5.290 -7.052 1.00 0.00 O ATOM 1216 CB TYR A2013 12.848 -6.011 -4.256 1.00 0.00 C ATOM 1217 CG TYR A2013 14.181 -5.763 -4.932 1.00 0.00 C ATOM 1218 CD1 TYR A2013 15.046 -4.751 -4.472 1.00 0.00 C ATOM 1219 CD2 TYR A2013 14.548 -6.539 -6.040 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.292 -4.542 -5.095 1.00 0.00 C ATOM 1221 CE2 TYR A2013 15.793 -6.345 -6.659 1.00 0.00 C ATOM 1222 CZ TYR A2013 16.680 -5.357 -6.184 1.00 0.00 C ATOM 1223 OH TYR A2013 17.907 -5.234 -6.759 1.00 0.00 O ATOM 0 H TYR A2013 10.869 -5.678 -2.907 1.00 0.00 H new ATOM 0 HA TYR A2013 12.167 -4.044 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A2013 12.983 -5.955 -3.176 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.519 -7.025 -4.484 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.752 -4.132 -3.637 1.00 0.00 H new ATOM 0 HD2 TYR A2013 13.870 -7.289 -6.419 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.949 -3.761 -4.742 1.00 0.00 H new ATOM 0 HE2 TYR A2013 16.073 -6.956 -7.504 1.00 0.00 H new ATOM 0 HH TYR A2013 17.991 -5.880 -7.491 1.00 0.00 H new ATOM 1233 N ASP A2014 9.869 -6.083 -5.886 1.00 0.00 N ATOM 1234 CA ASP A2014 9.121 -6.573 -7.033 1.00 0.00 C ATOM 1235 C ASP A2014 8.163 -5.502 -7.529 1.00 0.00 C ATOM 1236 O ASP A2014 7.947 -5.374 -8.733 1.00 0.00 O ATOM 1237 CB ASP A2014 8.296 -7.810 -6.622 1.00 0.00 C ATOM 1238 CG ASP A2014 8.503 -8.985 -7.564 1.00 0.00 C ATOM 1239 OD1 ASP A2014 8.403 -8.829 -8.801 1.00 0.00 O ATOM 1240 OD2 ASP A2014 8.714 -10.114 -7.067 1.00 0.00 O ATOM 0 H ASP A2014 9.391 -6.239 -4.999 1.00 0.00 H new ATOM 0 HA ASP A2014 9.826 -6.833 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.571 -8.107 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.238 -7.547 -6.601 1.00 0.00 H new ATOM 1245 N TYR A2015 7.609 -4.712 -6.608 1.00 0.00 N ATOM 1246 CA TYR A2015 6.646 -3.656 -6.862 1.00 0.00 C ATOM 1247 C TYR A2015 7.066 -2.396 -6.099 1.00 0.00 C ATOM 1248 O TYR A2015 6.602 -2.149 -4.984 1.00 0.00 O ATOM 1249 CB TYR A2015 5.243 -4.124 -6.448 1.00 0.00 C ATOM 1250 CG TYR A2015 4.876 -5.561 -6.731 1.00 0.00 C ATOM 1251 CD1 TYR A2015 4.941 -6.084 -8.035 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.461 -6.375 -5.666 1.00 0.00 C ATOM 1253 CE1 TYR A2015 4.643 -7.441 -8.265 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.089 -7.697 -5.906 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.204 -8.250 -7.193 1.00 0.00 C ATOM 1256 OH TYR A2015 3.919 -9.571 -7.341 1.00 0.00 O ATOM 0 H TYR A2015 7.836 -4.801 -5.617 1.00 0.00 H new ATOM 0 HA TYR A2015 6.619 -3.419 -7.926 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.134 -3.954 -5.377 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.514 -3.486 -6.948 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.219 -5.445 -8.860 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.430 -5.978 -4.662 1.00 0.00 H new ATOM 0 HE1 TYR A2015 4.749 -7.861 -9.254 1.00 0.00 H new ATOM 0 HE2 TYR A2015 3.709 -8.302 -5.096 1.00 0.00 H new ATOM 0 HH TYR A2015 3.084 -9.780 -6.872 1.00 0.00 H new ATOM 1266 N PRO A2016 7.941 -1.565 -6.674 1.00 0.00 N ATOM 1267 CA PRO A2016 8.393 -0.354 -6.020 1.00 0.00 C ATOM 1268 C PRO A2016 7.338 0.768 -5.989 1.00 0.00 C ATOM 1269 O PRO A2016 7.668 1.813 -5.438 1.00 0.00 O ATOM 1270 CB PRO A2016 9.649 0.050 -6.799 1.00 0.00 C ATOM 1271 CG PRO A2016 9.355 -0.441 -8.208 1.00 0.00 C ATOM 1272 CD PRO A2016 8.584 -1.725 -7.967 1.00 0.00 C ATOM 0 HA PRO A2016 8.592 -0.530 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A2016 9.810 1.128 -6.773 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.545 -0.416 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A2016 8.768 0.283 -8.773 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.270 -0.619 -8.773 1.00 0.00 H new ATOM 0 HD2 PRO A2016 7.847 -1.891 -8.752 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.251 -2.587 -7.968 1.00 0.00 H new ATOM 1280 N THR A2017 6.132 0.617 -6.554 1.00 0.00 N ATOM 1281 CA THR A2017 5.081 1.632 -6.574 1.00 0.00 C ATOM 1282 C THR A2017 3.781 1.008 -6.050 1.00 0.00 C ATOM 1283 O THR A2017 3.597 -0.211 -6.081 1.00 0.00 O ATOM 1284 CB THR A2017 4.933 2.262 -7.975 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.228 1.440 -8.875 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.236 2.603 -8.689 1.00 0.00 C ATOM 0 H THR A2017 5.857 -0.245 -7.024 1.00 0.00 H new ATOM 0 HA THR A2017 5.348 2.458 -5.915 1.00 0.00 H new ATOM 0 HB THR A2017 4.396 3.180 -7.736 1.00 0.00 H new ATOM 0 HG1 THR A2017 4.860 0.869 -9.360 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.014 3.039 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A2017 6.802 3.318 -8.092 1.00 0.00 H new ATOM 0 HG23 THR A2017 6.825 1.696 -8.824 1.00 0.00 H new ATOM 1294 N LEU A2018 2.852 1.828 -5.557 1.00 0.00 N ATOM 1295 CA LEU A2018 1.565 1.394 -4.996 1.00 0.00 C ATOM 1296 C LEU A2018 0.704 0.713 -6.040 1.00 0.00 C ATOM 1297 O LEU A2018 -0.050 -0.195 -5.694 1.00 0.00 O ATOM 1298 CB LEU A2018 0.787 2.631 -4.517 1.00 0.00 C ATOM 1299 CG LEU A2018 1.578 3.442 -3.490 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.025 4.842 -3.326 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.627 2.712 -2.163 1.00 0.00 C ATOM 0 H LEU A2018 2.974 2.840 -5.535 1.00 0.00 H new ATOM 0 HA LEU A2018 1.777 0.699 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A2018 0.548 3.263 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A2018 -0.160 2.317 -4.079 1.00 0.00 H new ATOM 0 HG LEU A2018 2.596 3.547 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A2018 1.617 5.383 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.071 5.365 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A2018 -0.011 4.787 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.194 3.303 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.613 2.563 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.110 1.744 -2.298 1.00 0.00 H new ATOM 1313 N LEU A2019 0.800 1.153 -7.296 1.00 0.00 N ATOM 1314 CA LEU A2019 0.012 0.601 -8.392 1.00 0.00 C ATOM 1315 C LEU A2019 0.168 -0.913 -8.500 1.00 0.00 C ATOM 1316 O LEU A2019 -0.823 -1.648 -8.513 1.00 0.00 O ATOM 1317 CB LEU A2019 0.412 1.321 -9.692 1.00 0.00 C ATOM 1318 CG LEU A2019 -0.180 2.730 -9.776 1.00 0.00 C ATOM 1319 CD1 LEU A2019 0.463 3.476 -10.946 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.708 2.757 -9.854 1.00 0.00 C ATOM 0 H LEU A2019 1.429 1.904 -7.579 1.00 0.00 H new ATOM 0 HA LEU A2019 -1.047 0.772 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A2019 1.499 1.381 -9.753 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.076 0.736 -10.548 1.00 0.00 H new ATOM 0 HG LEU A2019 0.055 3.240 -8.842 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.045 4.481 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A2019 1.540 3.540 -10.789 1.00 0.00 H new ATOM 0 HD13 LEU A2019 0.263 2.939 -11.874 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -2.051 3.790 -9.911 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -2.037 2.216 -10.741 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -2.126 2.284 -8.965 1.00 0.00 H new ATOM 1332 N GLU A2020 1.410 -1.360 -8.609 1.00 0.00 N ATOM 1333 CA GLU A2020 1.810 -2.758 -8.718 1.00 0.00 C ATOM 1334 C GLU A2020 1.704 -3.468 -7.363 1.00 0.00 C ATOM 1335 O GLU A2020 1.242 -4.609 -7.314 1.00 0.00 O ATOM 1336 CB GLU A2020 3.201 -2.883 -9.381 1.00 0.00 C ATOM 1337 CG GLU A2020 4.146 -1.718 -9.063 1.00 0.00 C ATOM 1338 CD GLU A2020 5.416 -1.646 -9.888 1.00 0.00 C ATOM 1339 OE1 GLU A2020 5.992 -2.697 -10.242 1.00 0.00 O ATOM 1340 OE2 GLU A2020 5.798 -0.501 -10.213 1.00 0.00 O ATOM 0 H GLU A2020 2.209 -0.726 -8.625 1.00 0.00 H new ATOM 0 HA GLU A2020 1.115 -3.276 -9.379 1.00 0.00 H new ATOM 0 HB2 GLU A2020 3.665 -3.814 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.073 -2.950 -10.461 1.00 0.00 H new ATOM 0 HG2 GLU A2020 3.598 -0.785 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.423 -1.778 -8.011 1.00 0.00 H new ATOM 1347 N LEU A2021 2.063 -2.796 -6.257 1.00 0.00 N ATOM 1348 CA LEU A2021 2.009 -3.371 -4.909 1.00 0.00 C ATOM 1349 C LEU A2021 0.582 -3.814 -4.590 1.00 0.00 C ATOM 1350 O LEU A2021 0.349 -4.966 -4.227 1.00 0.00 O ATOM 1351 CB LEU A2021 2.511 -2.363 -3.866 1.00 0.00 C ATOM 1352 CG LEU A2021 2.984 -3.052 -2.568 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.487 -3.311 -2.613 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.739 -2.157 -1.362 1.00 0.00 C ATOM 0 H LEU A2021 2.400 -1.834 -6.276 1.00 0.00 H new ATOM 0 HA LEU A2021 2.663 -4.242 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.333 -1.785 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.713 -1.658 -3.631 1.00 0.00 H new ATOM 0 HG LEU A2021 2.426 -3.984 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.800 -3.797 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.720 -3.957 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.016 -2.364 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.080 -2.663 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.288 -1.223 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.673 -1.943 -1.278 1.00 0.00 H new ATOM 1366 N SER A2022 -0.368 -2.889 -4.729 1.00 0.00 N ATOM 1367 CA SER A2022 -1.781 -3.110 -4.483 1.00 0.00 C ATOM 1368 C SER A2022 -2.319 -4.205 -5.404 1.00 0.00 C ATOM 1369 O SER A2022 -3.112 -5.046 -4.975 1.00 0.00 O ATOM 1370 CB SER A2022 -2.524 -1.791 -4.736 1.00 0.00 C ATOM 1371 OG SER A2022 -3.787 -1.836 -4.126 1.00 0.00 O ATOM 0 H SER A2022 -0.161 -1.935 -5.026 1.00 0.00 H new ATOM 0 HA SER A2022 -1.932 -3.435 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A2022 -1.947 -0.955 -4.339 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.633 -1.623 -5.808 1.00 0.00 H new ATOM 0 HG SER A2022 -4.450 -1.417 -4.714 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.838 -4.210 -6.651 1.00 0.00 N ATOM 1378 CA GLY A2023 -2.210 -5.129 -7.710 1.00 0.00 C ATOM 1379 C GLY A2023 -2.039 -6.563 -7.265 1.00 0.00 C ATOM 1380 O GLY A2023 -2.914 -7.382 -7.548 1.00 0.00 O ATOM 0 H GLY A2023 -1.140 -3.532 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -3.246 -4.955 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.596 -4.942 -8.591 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.971 -6.851 -6.521 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.717 -8.188 -6.036 1.00 0.00 C ATOM 1386 C TYR A2024 -1.535 -8.465 -4.779 1.00 0.00 C ATOM 1387 O TYR A2024 -2.271 -9.447 -4.761 1.00 0.00 O ATOM 1388 CB TYR A2024 0.783 -8.369 -5.798 1.00 0.00 C ATOM 1389 CG TYR A2024 1.186 -9.800 -5.493 1.00 0.00 C ATOM 1390 CD1 TYR A2024 0.867 -10.826 -6.404 1.00 0.00 C ATOM 1391 CD2 TYR A2024 1.865 -10.112 -4.302 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.227 -12.156 -6.129 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.216 -11.443 -4.012 1.00 0.00 C ATOM 1394 CZ TYR A2024 1.898 -12.469 -4.928 1.00 0.00 C ATOM 1395 OH TYR A2024 2.268 -13.749 -4.659 1.00 0.00 O ATOM 0 H TYR A2024 -0.269 -6.164 -6.245 1.00 0.00 H new ATOM 0 HA TYR A2024 -1.029 -8.915 -6.785 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.325 -8.029 -6.680 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.090 -7.730 -4.970 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.343 -10.589 -7.318 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.118 -9.326 -3.606 1.00 0.00 H new ATOM 0 HE1 TYR A2024 0.990 -12.938 -6.836 1.00 0.00 H new ATOM 0 HE2 TYR A2024 2.728 -11.679 -3.091 1.00 0.00 H new ATOM 0 HH TYR A2024 2.720 -13.783 -3.790 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.475 -7.584 -3.770 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.178 -7.734 -2.489 1.00 0.00 C ATOM 1407 C ILE A2025 -3.651 -8.060 -2.688 1.00 0.00 C ATOM 1408 O ILE A2025 -4.137 -9.012 -2.075 1.00 0.00 O ATOM 1409 CB ILE A2025 -2.045 -6.437 -1.649 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.573 -6.204 -1.244 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.926 -6.444 -0.380 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.378 -4.962 -0.365 1.00 0.00 C ATOM 0 H ILE A2025 -0.923 -6.728 -3.824 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.714 -8.566 -1.959 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.395 -5.625 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.207 -7.081 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.033 -6.103 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.788 -5.510 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -3.973 -6.547 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.639 -7.281 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.678 -4.855 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.715 -4.077 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -0.958 -5.070 0.551 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.347 -7.283 -3.517 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.765 -7.459 -3.784 1.00 0.00 C ATOM 1426 C ALA A2026 -6.103 -8.892 -4.207 1.00 0.00 C ATOM 1427 O ALA A2026 -7.168 -9.396 -3.861 1.00 0.00 O ATOM 1428 CB ALA A2026 -6.175 -6.432 -4.848 1.00 0.00 C ATOM 0 H ALA A2026 -3.931 -6.504 -4.027 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.333 -7.290 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -7.237 -6.541 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.983 -5.426 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.596 -6.599 -5.757 1.00 0.00 H new ATOM 1434 N GLN A2027 -5.213 -9.551 -4.950 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.423 -10.915 -5.413 1.00 0.00 C ATOM 1436 C GLN A2027 -5.183 -11.916 -4.275 1.00 0.00 C ATOM 1437 O GLN A2027 -5.856 -12.941 -4.214 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.471 -11.209 -6.584 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.537 -10.199 -7.746 1.00 0.00 C ATOM 1440 CD GLN A2027 -5.753 -10.365 -8.653 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -6.064 -11.467 -9.090 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -6.430 -9.282 -8.993 1.00 0.00 N ATOM 0 H GLN A2027 -4.324 -9.148 -5.246 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.455 -11.020 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.450 -11.237 -6.204 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.694 -12.203 -6.973 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -4.540 -9.189 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -3.633 -10.296 -8.348 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -6.158 -8.372 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -7.225 -9.356 -9.628 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.239 -11.639 -3.366 1.00 0.00 N ATOM 1452 CA ILE A2028 -3.918 -12.532 -2.250 1.00 0.00 C ATOM 1453 C ILE A2028 -5.111 -12.621 -1.311 1.00 0.00 C ATOM 1454 O ILE A2028 -5.643 -13.708 -1.110 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.692 -12.029 -1.445 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.504 -11.689 -2.349 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.250 -13.040 -0.376 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.342 -11.040 -1.594 1.00 0.00 C ATOM 0 H ILE A2028 -3.677 -10.788 -3.386 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.680 -13.510 -2.669 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.020 -11.116 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.151 -12.600 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.837 -11.016 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.388 -12.646 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.068 -13.211 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -1.979 -13.981 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.468 -10.823 -2.290 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.681 -10.113 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A2028 0.015 -11.721 -0.821 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.596 -11.484 -0.801 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.728 -11.488 0.124 1.00 0.00 C ATOM 1472 C LEU A2029 -7.979 -12.046 -0.533 1.00 0.00 C ATOM 1473 O LEU A2029 -8.786 -12.701 0.120 1.00 0.00 O ATOM 1474 CB LEU A2029 -6.981 -10.110 0.745 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.075 -8.896 -0.194 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.481 -8.663 -0.753 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.602 -7.666 0.568 1.00 0.00 C ATOM 0 H LEU A2029 -5.224 -10.558 -1.012 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.461 -12.153 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -7.911 -10.166 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.183 -9.916 1.461 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.442 -9.094 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.473 -7.791 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.797 -9.539 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.176 -8.493 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.660 -6.792 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.236 -7.513 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.571 -7.811 0.889 1.00 0.00 H new ATOM 1489 N SER A2030 -8.109 -11.828 -1.840 1.00 0.00 N ATOM 1490 CA SER A2030 -9.271 -12.310 -2.575 1.00 0.00 C ATOM 1491 C SER A2030 -9.217 -13.834 -2.694 1.00 0.00 C ATOM 1492 O SER A2030 -10.254 -14.472 -2.893 1.00 0.00 O ATOM 1493 CB SER A2030 -9.339 -11.599 -3.934 1.00 0.00 C ATOM 1494 OG SER A2030 -10.357 -12.106 -4.781 1.00 0.00 O ATOM 0 H SER A2030 -7.427 -11.324 -2.407 1.00 0.00 H new ATOM 0 HA SER A2030 -10.191 -12.074 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A2030 -9.508 -10.534 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A2030 -8.376 -11.696 -4.436 1.00 0.00 H new ATOM 0 HG SER A2030 -10.352 -11.614 -5.629 1.00 0.00 H new ATOM 1500 N SER A2031 -8.024 -14.423 -2.597 1.00 0.00 N ATOM 1501 CA SER A2031 -7.805 -15.856 -2.699 1.00 0.00 C ATOM 1502 C SER A2031 -7.902 -16.499 -1.317 1.00 0.00 C ATOM 1503 O SER A2031 -8.190 -17.692 -1.209 1.00 0.00 O ATOM 1504 CB SER A2031 -6.460 -16.107 -3.399 1.00 0.00 C ATOM 1505 OG SER A2031 -6.469 -17.364 -4.055 1.00 0.00 O ATOM 0 H SER A2031 -7.164 -13.897 -2.441 1.00 0.00 H new ATOM 0 HA SER A2031 -8.578 -16.326 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A2031 -6.266 -15.314 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A2031 -5.652 -16.077 -2.668 1.00 0.00 H new ATOM 0 HG SER A2031 -5.606 -17.508 -4.497 1.00 0.00 H new