USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1964 GLN : amide:sc= 0.788 X(o=2.2,f=1.7) USER MOD Set 1.2: A2002 THR OG1 : rot 75:sc= 1.44 USER MOD Single : A1955 SER OG : rot 34:sc= 0.00334 USER MOD Single : A1958 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.22) USER MOD Single : A1959 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1962 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1.03) USER MOD Single : A1963 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A1970 TYR OH : rot 180:sc= 0 USER MOD Single : A1971 THR OG1 : rot 120:sc= -0.745 USER MOD Single : A1974 SER OG : rot 180:sc= 0 USER MOD Single : A1980 GLN : amide:sc= 0.141 K(o=0.14,f=-4.7!) USER MOD Single : A1981 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.202) USER MOD Single : A1989 SER OG : rot 180:sc= 0 USER MOD Single : A1996 THR OG1 : rot -119:sc=-0.000181 USER MOD Single : A1997 THR OG1 : rot 180:sc= 0 USER MOD Single : A1998 THR OG1 : rot 180:sc= 0 USER MOD Single : A2000 ASN : amide:sc= -0.963 K(o=-0.96,f=-5.8!) USER MOD Single : A2001 GLN : amide:sc= -0.0432 K(o=-0.043,f=-0.77) USER MOD Single : A2003 TYR OH : rot 180:sc= 0 USER MOD Single : A2004 ASN : amide:sc= -0.0386 K(o=-0.039,f=-1.5!) USER MOD Single : A2006 ASN : amide:sc= -0.0952 X(o=-0.095,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+ -159:sc= 2.11 (180deg=1.78) USER MOD Single : A2013 TYR OH : rot 180:sc= 0 USER MOD Single : A2015 TYR OH : rot -147:sc= 0.115 USER MOD Single : A2017 THR OG1 : rot -79:sc= 0.736 USER MOD Single : A2022 SER OG : rot -82:sc= 1.26 USER MOD Single : A2024 TYR OH : rot 180:sc= 0 USER MOD Single : A2027 GLN : amide:sc= 0.642 K(o=0.64,f=0) USER MOD Single : A2030 SER OG : rot 180:sc= 0 USER MOD Single : A2031 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N SER A1955 -8.066 -0.403 -6.404 1.00 0.00 N ATOM 286 CA SER A1955 -7.853 1.024 -6.215 1.00 0.00 C ATOM 287 C SER A1955 -7.884 1.405 -4.735 1.00 0.00 C ATOM 288 O SER A1955 -7.061 2.211 -4.307 1.00 0.00 O ATOM 289 CB SER A1955 -8.896 1.800 -7.020 1.00 0.00 C ATOM 290 OG SER A1955 -8.644 1.687 -8.413 1.00 0.00 O ATOM 0 HA SER A1955 -6.860 1.286 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A1955 -9.892 1.420 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A1955 -8.881 2.850 -6.727 1.00 0.00 H new ATOM 0 HG SER A1955 -8.278 0.799 -8.608 1.00 0.00 H new ATOM 296 N GLU A1956 -8.799 0.817 -3.961 1.00 0.00 N ATOM 297 CA GLU A1956 -8.935 1.101 -2.538 1.00 0.00 C ATOM 298 C GLU A1956 -7.602 0.777 -1.853 1.00 0.00 C ATOM 299 O GLU A1956 -7.060 1.611 -1.128 1.00 0.00 O ATOM 300 CB GLU A1956 -10.096 0.298 -1.928 1.00 0.00 C ATOM 301 CG GLU A1956 -11.447 0.386 -2.664 1.00 0.00 C ATOM 302 CD GLU A1956 -12.289 1.626 -2.342 1.00 0.00 C ATOM 303 OE1 GLU A1956 -11.726 2.721 -2.134 1.00 0.00 O ATOM 304 OE2 GLU A1956 -13.536 1.497 -2.336 1.00 0.00 O ATOM 0 H GLU A1956 -9.467 0.129 -4.309 1.00 0.00 H new ATOM 0 HA GLU A1956 -9.171 2.154 -2.387 1.00 0.00 H new ATOM 0 HB2 GLU A1956 -9.800 -0.750 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A1956 -10.243 0.634 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A1956 -11.259 0.363 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A1956 -12.031 -0.502 -2.424 1.00 0.00 H new ATOM 311 N ILE A1957 -7.035 -0.403 -2.137 1.00 0.00 N ATOM 312 CA ILE A1957 -5.764 -0.837 -1.570 1.00 0.00 C ATOM 313 C ILE A1957 -4.688 0.140 -1.991 1.00 0.00 C ATOM 314 O ILE A1957 -3.956 0.650 -1.152 1.00 0.00 O ATOM 315 CB ILE A1957 -5.395 -2.245 -2.070 1.00 0.00 C ATOM 316 CG1 ILE A1957 -6.428 -3.262 -1.568 1.00 0.00 C ATOM 317 CG2 ILE A1957 -3.960 -2.669 -1.677 1.00 0.00 C ATOM 318 CD1 ILE A1957 -6.508 -4.426 -2.555 1.00 0.00 C ATOM 0 H ILE A1957 -7.453 -1.083 -2.772 1.00 0.00 H new ATOM 0 HA ILE A1957 -5.851 -0.868 -0.484 1.00 0.00 H new ATOM 0 HB ILE A1957 -5.412 -2.218 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A1957 -6.147 -3.626 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A1957 -7.404 -2.787 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A1957 -3.759 -3.670 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A1957 -3.243 -1.968 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A1957 -3.865 -2.668 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A1957 -7.241 -5.152 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A1957 -6.808 -4.053 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A1957 -5.532 -4.905 -2.633 1.00 0.00 H new ATOM 330 N LYS A1958 -4.580 0.397 -3.293 1.00 0.00 N ATOM 331 CA LYS A1958 -3.582 1.284 -3.853 1.00 0.00 C ATOM 332 C LYS A1958 -3.558 2.630 -3.129 1.00 0.00 C ATOM 333 O LYS A1958 -2.466 3.100 -2.787 1.00 0.00 O ATOM 334 CB LYS A1958 -3.863 1.431 -5.346 1.00 0.00 C ATOM 335 CG LYS A1958 -2.782 2.254 -6.059 1.00 0.00 C ATOM 336 CD LYS A1958 -3.101 2.450 -7.542 1.00 0.00 C ATOM 337 CE LYS A1958 -4.522 2.992 -7.727 1.00 0.00 C ATOM 338 NZ LYS A1958 -4.729 3.755 -8.967 1.00 0.00 N ATOM 0 H LYS A1958 -5.197 -0.015 -3.993 1.00 0.00 H new ATOM 0 HA LYS A1958 -2.587 0.861 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A1958 -3.925 0.443 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A1958 -4.833 1.908 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A1958 -2.688 3.227 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A1958 -1.819 1.754 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A1958 -2.383 3.141 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A1958 -2.997 1.502 -8.069 1.00 0.00 H new ATOM 0 HE2 LYS A1958 -5.221 2.156 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A1958 -4.767 3.630 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A1958 -5.733 4.011 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A1958 -4.152 4.620 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A1958 -4.449 3.174 -9.783 1.00 0.00 H new ATOM 352 N GLN A1959 -4.719 3.247 -2.878 1.00 0.00 N ATOM 353 CA GLN A1959 -4.719 4.529 -2.193 1.00 0.00 C ATOM 354 C GLN A1959 -4.257 4.373 -0.742 1.00 0.00 C ATOM 355 O GLN A1959 -3.522 5.231 -0.253 1.00 0.00 O ATOM 356 CB GLN A1959 -6.063 5.276 -2.276 1.00 0.00 C ATOM 357 CG GLN A1959 -7.269 4.658 -1.557 1.00 0.00 C ATOM 358 CD GLN A1959 -8.346 5.698 -1.282 1.00 0.00 C ATOM 359 OE1 GLN A1959 -9.261 5.899 -2.085 1.00 0.00 O ATOM 360 NE2 GLN A1959 -8.237 6.384 -0.154 1.00 0.00 N ATOM 0 H GLN A1959 -5.639 2.888 -3.132 1.00 0.00 H new ATOM 0 HA GLN A1959 -4.002 5.155 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A1959 -5.914 6.280 -1.878 1.00 0.00 H new ATOM 0 HB3 GLN A1959 -6.321 5.386 -3.329 1.00 0.00 H new ATOM 0 HG2 GLN A1959 -7.684 3.854 -2.165 1.00 0.00 H new ATOM 0 HG3 GLN A1959 -6.944 4.211 -0.617 1.00 0.00 H new ATOM 0 HE21 GLN A1959 -7.468 6.192 0.487 1.00 0.00 H new ATOM 0 HE22 GLN A1959 -8.922 7.104 0.073 1.00 0.00 H new ATOM 369 N VAL A1960 -4.675 3.310 -0.048 1.00 0.00 N ATOM 370 CA VAL A1960 -4.292 3.080 1.337 1.00 0.00 C ATOM 371 C VAL A1960 -2.787 2.884 1.373 1.00 0.00 C ATOM 372 O VAL A1960 -2.124 3.547 2.162 1.00 0.00 O ATOM 373 CB VAL A1960 -5.055 1.892 1.950 1.00 0.00 C ATOM 374 CG1 VAL A1960 -4.453 1.513 3.310 1.00 0.00 C ATOM 375 CG2 VAL A1960 -6.529 2.241 2.151 1.00 0.00 C ATOM 0 H VAL A1960 -5.286 2.590 -0.434 1.00 0.00 H new ATOM 0 HA VAL A1960 -4.561 3.940 1.950 1.00 0.00 H new ATOM 0 HB VAL A1960 -4.970 1.053 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A1960 -5.004 0.671 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A1960 -3.407 1.234 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A1960 -4.520 2.364 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A1960 -7.049 1.387 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A1960 -6.612 3.096 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A1960 -6.979 2.489 1.190 1.00 0.00 H new ATOM 385 N LEU A1961 -2.224 2.041 0.501 1.00 0.00 N ATOM 386 CA LEU A1961 -0.798 1.796 0.449 1.00 0.00 C ATOM 387 C LEU A1961 -0.053 3.125 0.422 1.00 0.00 C ATOM 388 O LEU A1961 0.846 3.313 1.229 1.00 0.00 O ATOM 389 CB LEU A1961 -0.383 1.003 -0.788 1.00 0.00 C ATOM 390 CG LEU A1961 -0.811 -0.456 -0.922 1.00 0.00 C ATOM 391 CD1 LEU A1961 -0.205 -0.979 -2.226 1.00 0.00 C ATOM 392 CD2 LEU A1961 -0.381 -1.289 0.280 1.00 0.00 C ATOM 0 H LEU A1961 -2.757 1.511 -0.188 1.00 0.00 H new ATOM 0 HA LEU A1961 -0.547 1.212 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A1961 -0.761 1.536 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A1961 0.705 1.031 -0.844 1.00 0.00 H new ATOM 0 HG LEU A1961 -1.898 -0.533 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A1961 -0.486 -2.023 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A1961 -0.578 -0.389 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A1961 0.881 -0.898 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A1961 -0.706 -2.320 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A1961 0.705 -1.260 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A1961 -0.834 -0.883 1.185 1.00 0.00 H new ATOM 404 N LYS A1962 -0.431 4.042 -0.487 1.00 0.00 N ATOM 405 CA LYS A1962 0.215 5.342 -0.607 1.00 0.00 C ATOM 406 C LYS A1962 0.263 6.036 0.743 1.00 0.00 C ATOM 407 O LYS A1962 1.310 6.504 1.171 1.00 0.00 O ATOM 408 CB LYS A1962 -0.544 6.212 -1.630 1.00 0.00 C ATOM 409 CG LYS A1962 0.331 7.387 -2.081 1.00 0.00 C ATOM 410 CD LYS A1962 -0.393 8.378 -2.988 1.00 0.00 C ATOM 411 CE LYS A1962 -0.726 7.840 -4.367 1.00 0.00 C ATOM 412 NZ LYS A1962 -2.165 7.967 -4.694 1.00 0.00 N ATOM 0 H LYS A1962 -1.190 3.894 -1.152 1.00 0.00 H new ATOM 0 HA LYS A1962 1.237 5.197 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A1962 -0.827 5.608 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A1962 -1.467 6.586 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A1962 0.697 7.915 -1.200 1.00 0.00 H new ATOM 0 HG3 LYS A1962 1.204 6.998 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A1962 -1.317 8.690 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A1962 0.225 9.269 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A1962 -0.139 8.375 -5.113 1.00 0.00 H new ATOM 0 HE3 LYS A1962 -0.435 6.791 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A1962 -2.399 7.332 -5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A1962 -2.734 7.710 -3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A1962 -2.374 8.949 -4.966 1.00 0.00 H new ATOM 426 N GLN A1963 -0.887 6.096 1.399 1.00 0.00 N ATOM 427 CA GLN A1963 -1.059 6.735 2.682 1.00 0.00 C ATOM 428 C GLN A1963 -0.276 6.068 3.810 1.00 0.00 C ATOM 429 O GLN A1963 0.154 6.745 4.737 1.00 0.00 O ATOM 430 CB GLN A1963 -2.571 6.846 2.939 1.00 0.00 C ATOM 431 CG GLN A1963 -3.136 6.061 4.117 1.00 0.00 C ATOM 432 CD GLN A1963 -4.633 6.306 4.283 1.00 0.00 C ATOM 433 OE1 GLN A1963 -5.444 5.406 4.095 1.00 0.00 O ATOM 434 NE2 GLN A1963 -5.036 7.518 4.631 1.00 0.00 N ATOM 0 H GLN A1963 -1.748 5.687 1.036 1.00 0.00 H new ATOM 0 HA GLN A1963 -0.624 7.734 2.661 1.00 0.00 H new ATOM 0 HB2 GLN A1963 -2.812 7.899 3.087 1.00 0.00 H new ATOM 0 HB3 GLN A1963 -3.092 6.524 2.037 1.00 0.00 H new ATOM 0 HG2 GLN A1963 -2.954 4.997 3.967 1.00 0.00 H new ATOM 0 HG3 GLN A1963 -2.615 6.348 5.031 1.00 0.00 H new ATOM 0 HE21 GLN A1963 -4.352 8.259 4.785 1.00 0.00 H new ATOM 0 HE22 GLN A1963 -6.031 7.711 4.746 1.00 0.00 H new ATOM 443 N GLN A1964 -0.120 4.749 3.776 1.00 0.00 N ATOM 444 CA GLN A1964 0.610 4.023 4.808 1.00 0.00 C ATOM 445 C GLN A1964 2.105 4.249 4.623 1.00 0.00 C ATOM 446 O GLN A1964 2.857 4.347 5.587 1.00 0.00 O ATOM 447 CB GLN A1964 0.296 2.520 4.742 1.00 0.00 C ATOM 448 CG GLN A1964 -1.196 2.208 4.893 1.00 0.00 C ATOM 449 CD GLN A1964 -1.446 1.044 5.839 1.00 0.00 C ATOM 450 OE1 GLN A1964 -1.577 1.238 7.043 1.00 0.00 O ATOM 451 NE2 GLN A1964 -1.540 -0.172 5.327 1.00 0.00 N ATOM 0 H GLN A1964 -0.494 4.156 3.036 1.00 0.00 H new ATOM 0 HA GLN A1964 0.301 4.394 5.785 1.00 0.00 H new ATOM 0 HB2 GLN A1964 0.649 2.123 3.790 1.00 0.00 H new ATOM 0 HB3 GLN A1964 0.850 2.005 5.527 1.00 0.00 H new ATOM 0 HG2 GLN A1964 -1.715 3.092 5.263 1.00 0.00 H new ATOM 0 HG3 GLN A1964 -1.618 1.976 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A1964 -1.428 -0.313 4.323 1.00 0.00 H new ATOM 0 HE22 GLN A1964 -1.725 -0.969 5.936 1.00 0.00 H new ATOM 460 N LEU A1965 2.547 4.246 3.366 1.00 0.00 N ATOM 461 CA LEU A1965 3.940 4.443 3.010 1.00 0.00 C ATOM 462 C LEU A1965 4.349 5.884 3.305 1.00 0.00 C ATOM 463 O LEU A1965 5.480 6.112 3.719 1.00 0.00 O ATOM 464 CB LEU A1965 4.167 3.998 1.547 1.00 0.00 C ATOM 465 CG LEU A1965 4.784 5.039 0.608 1.00 0.00 C ATOM 466 CD1 LEU A1965 6.305 5.075 0.748 1.00 0.00 C ATOM 467 CD2 LEU A1965 4.427 4.731 -0.836 1.00 0.00 C ATOM 0 H LEU A1965 1.936 4.105 2.562 1.00 0.00 H new ATOM 0 HA LEU A1965 4.594 3.819 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A1965 4.811 3.119 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A1965 3.208 3.688 1.131 1.00 0.00 H new ATOM 0 HG LEU A1965 4.379 6.012 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A1965 6.715 5.823 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A1965 6.570 5.331 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A1965 6.716 4.096 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A1965 4.874 5.481 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A1965 4.807 3.745 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A1965 3.344 4.746 -0.954 1.00 0.00 H new ATOM 479 N ALA A1966 3.434 6.845 3.143 1.00 0.00 N ATOM 480 CA ALA A1966 3.713 8.240 3.381 1.00 0.00 C ATOM 481 C ALA A1966 4.261 8.455 4.792 1.00 0.00 C ATOM 482 O ALA A1966 5.332 9.029 4.973 1.00 0.00 O ATOM 483 CB ALA A1966 2.430 9.034 3.158 1.00 0.00 C ATOM 0 H ALA A1966 2.477 6.662 2.841 1.00 0.00 H new ATOM 0 HA ALA A1966 4.479 8.587 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A1966 2.622 10.092 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A1966 2.088 8.893 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A1966 1.662 8.685 3.848 1.00 0.00 H new ATOM 489 N GLU A1967 3.560 7.924 5.793 1.00 0.00 N ATOM 490 CA GLU A1967 3.936 8.051 7.203 1.00 0.00 C ATOM 491 C GLU A1967 5.247 7.322 7.483 1.00 0.00 C ATOM 492 O GLU A1967 6.014 7.706 8.367 1.00 0.00 O ATOM 493 CB GLU A1967 2.778 7.560 8.095 1.00 0.00 C ATOM 494 CG GLU A1967 1.484 8.237 7.631 1.00 0.00 C ATOM 495 CD GLU A1967 0.318 8.236 8.628 1.00 0.00 C ATOM 496 OE1 GLU A1967 -0.113 7.131 9.038 1.00 0.00 O ATOM 497 OE2 GLU A1967 -0.329 9.300 8.810 1.00 0.00 O ATOM 0 H GLU A1967 2.705 7.387 5.647 1.00 0.00 H new ATOM 0 HA GLU A1967 4.112 9.100 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A1967 2.683 6.476 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A1967 2.977 7.800 9.140 1.00 0.00 H new ATOM 0 HG2 GLU A1967 1.713 9.271 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A1967 1.151 7.747 6.716 1.00 0.00 H new ATOM 504 N ALA A1968 5.516 6.269 6.714 1.00 0.00 N ATOM 505 CA ALA A1968 6.735 5.482 6.832 1.00 0.00 C ATOM 506 C ALA A1968 7.937 6.282 6.323 1.00 0.00 C ATOM 507 O ALA A1968 9.065 6.023 6.753 1.00 0.00 O ATOM 508 CB ALA A1968 6.605 4.178 6.052 1.00 0.00 C ATOM 0 H ALA A1968 4.885 5.937 5.985 1.00 0.00 H new ATOM 0 HA ALA A1968 6.891 5.245 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A1968 7.525 3.602 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A1968 5.770 3.599 6.447 1.00 0.00 H new ATOM 0 HB3 ALA A1968 6.427 4.400 5.000 1.00 0.00 H new ATOM 514 N LEU A1969 7.707 7.232 5.412 1.00 0.00 N ATOM 515 CA LEU A1969 8.716 8.105 4.824 1.00 0.00 C ATOM 516 C LEU A1969 8.620 9.518 5.430 1.00 0.00 C ATOM 517 O LEU A1969 9.177 10.465 4.871 1.00 0.00 O ATOM 518 CB LEU A1969 8.614 8.145 3.284 1.00 0.00 C ATOM 519 CG LEU A1969 8.917 6.831 2.531 1.00 0.00 C ATOM 520 CD1 LEU A1969 9.242 7.119 1.062 1.00 0.00 C ATOM 521 CD2 LEU A1969 10.112 6.055 3.102 1.00 0.00 C ATOM 0 H LEU A1969 6.771 7.418 5.052 1.00 0.00 H new ATOM 0 HA LEU A1969 9.696 7.693 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A1969 7.606 8.464 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A1969 9.297 8.911 2.918 1.00 0.00 H new ATOM 0 HG LEU A1969 8.017 6.227 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A1969 9.453 6.183 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A1969 8.390 7.609 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A1969 10.114 7.770 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A1969 10.265 5.144 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A1969 11.007 6.674 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A1969 9.914 5.795 4.142 1.00 0.00 H new ATOM 533 N TYR A1970 7.921 9.665 6.563 1.00 0.00 N ATOM 534 CA TYR A1970 7.726 10.917 7.288 1.00 0.00 C ATOM 535 C TYR A1970 7.157 12.035 6.401 1.00 0.00 C ATOM 536 O TYR A1970 7.604 13.180 6.461 1.00 0.00 O ATOM 537 CB TYR A1970 9.028 11.306 8.015 1.00 0.00 C ATOM 538 CG TYR A1970 9.499 10.307 9.055 1.00 0.00 C ATOM 539 CD1 TYR A1970 10.310 9.217 8.683 1.00 0.00 C ATOM 540 CD2 TYR A1970 9.122 10.471 10.402 1.00 0.00 C ATOM 541 CE1 TYR A1970 10.702 8.268 9.644 1.00 0.00 C ATOM 542 CE2 TYR A1970 9.529 9.538 11.370 1.00 0.00 C ATOM 543 CZ TYR A1970 10.301 8.419 10.991 1.00 0.00 C ATOM 544 OH TYR A1970 10.629 7.480 11.919 1.00 0.00 O ATOM 0 H TYR A1970 7.458 8.877 7.015 1.00 0.00 H new ATOM 0 HA TYR A1970 6.959 10.763 8.047 1.00 0.00 H new ATOM 0 HB2 TYR A1970 9.816 11.436 7.274 1.00 0.00 H new ATOM 0 HB3 TYR A1970 8.883 12.272 8.499 1.00 0.00 H new ATOM 0 HD1 TYR A1970 10.631 9.110 7.658 1.00 0.00 H new ATOM 0 HD2 TYR A1970 8.517 11.318 10.692 1.00 0.00 H new ATOM 0 HE1 TYR A1970 11.309 7.424 9.353 1.00 0.00 H new ATOM 0 HE2 TYR A1970 9.251 9.677 12.404 1.00 0.00 H new ATOM 0 HH TYR A1970 10.273 7.745 12.793 1.00 0.00 H new ATOM 554 N THR A1971 6.161 11.711 5.576 1.00 0.00 N ATOM 555 CA THR A1971 5.519 12.644 4.665 1.00 0.00 C ATOM 556 C THR A1971 4.041 12.275 4.461 1.00 0.00 C ATOM 557 O THR A1971 3.471 11.523 5.258 1.00 0.00 O ATOM 558 CB THR A1971 6.343 12.635 3.373 1.00 0.00 C ATOM 559 OG1 THR A1971 6.133 13.860 2.712 1.00 0.00 O ATOM 560 CG2 THR A1971 6.026 11.437 2.459 1.00 0.00 C ATOM 0 H THR A1971 5.773 10.769 5.526 1.00 0.00 H new ATOM 0 HA THR A1971 5.499 13.658 5.064 1.00 0.00 H new ATOM 0 HB THR A1971 7.395 12.519 3.632 1.00 0.00 H new ATOM 0 HG1 THR A1971 6.988 14.330 2.614 1.00 0.00 H new ATOM 0 HG21 THR A1971 6.643 11.490 1.562 1.00 0.00 H new ATOM 0 HG22 THR A1971 6.237 10.509 2.990 1.00 0.00 H new ATOM 0 HG23 THR A1971 4.973 11.463 2.177 1.00 0.00 H new ATOM 568 N GLU A1972 3.419 12.829 3.415 1.00 0.00 N ATOM 569 CA GLU A1972 2.044 12.604 3.022 1.00 0.00 C ATOM 570 C GLU A1972 1.936 12.026 1.616 1.00 0.00 C ATOM 571 O GLU A1972 2.763 12.244 0.736 1.00 0.00 O ATOM 572 CB GLU A1972 1.221 13.871 3.162 1.00 0.00 C ATOM 573 CG GLU A1972 1.611 14.980 2.183 1.00 0.00 C ATOM 574 CD GLU A1972 0.706 16.177 2.442 1.00 0.00 C ATOM 575 OE1 GLU A1972 -0.536 16.023 2.378 1.00 0.00 O ATOM 576 OE2 GLU A1972 1.221 17.254 2.803 1.00 0.00 O ATOM 0 H GLU A1972 3.897 13.481 2.793 1.00 0.00 H new ATOM 0 HA GLU A1972 1.634 11.859 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A1972 0.169 13.626 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A1972 1.323 14.247 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A1972 2.657 15.257 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A1972 1.502 14.636 1.154 1.00 0.00 H new ATOM 583 N GLU A1973 0.850 11.305 1.387 1.00 0.00 N ATOM 584 CA GLU A1973 0.523 10.668 0.124 1.00 0.00 C ATOM 585 C GLU A1973 0.332 11.689 -0.993 1.00 0.00 C ATOM 586 O GLU A1973 0.412 11.327 -2.163 1.00 0.00 O ATOM 587 CB GLU A1973 -0.742 9.806 0.293 1.00 0.00 C ATOM 588 CG GLU A1973 -1.771 10.301 1.321 1.00 0.00 C ATOM 589 CD GLU A1973 -3.214 10.033 0.885 1.00 0.00 C ATOM 590 OE1 GLU A1973 -3.581 8.872 0.579 1.00 0.00 O ATOM 591 OE2 GLU A1973 -3.971 11.023 0.761 1.00 0.00 O ATOM 0 H GLU A1973 0.145 11.142 2.106 1.00 0.00 H new ATOM 0 HA GLU A1973 1.360 10.032 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A1973 -1.236 9.730 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A1973 -0.435 8.799 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A1973 -1.588 9.812 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A1973 -1.636 11.371 1.479 1.00 0.00 H new ATOM 598 N SER A1974 0.077 12.955 -0.683 1.00 0.00 N ATOM 599 CA SER A1974 -0.089 13.964 -1.695 1.00 0.00 C ATOM 600 C SER A1974 1.229 14.187 -2.455 1.00 0.00 C ATOM 601 O SER A1974 1.187 14.708 -3.567 1.00 0.00 O ATOM 602 CB SER A1974 -0.624 15.218 -1.018 1.00 0.00 C ATOM 603 OG SER A1974 -2.042 15.185 -0.930 1.00 0.00 O ATOM 0 H SER A1974 -0.018 13.298 0.273 1.00 0.00 H new ATOM 0 HA SER A1974 -0.809 13.654 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A1974 -0.196 15.307 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A1974 -0.311 16.099 -1.578 1.00 0.00 H new ATOM 0 HG SER A1974 -2.362 16.000 -0.490 1.00 0.00 H new ATOM 609 N GLU A1975 2.386 13.762 -1.920 1.00 0.00 N ATOM 610 CA GLU A1975 3.658 13.926 -2.642 1.00 0.00 C ATOM 611 C GLU A1975 4.167 12.594 -3.221 1.00 0.00 C ATOM 612 O GLU A1975 5.332 12.501 -3.614 1.00 0.00 O ATOM 613 CB GLU A1975 4.708 14.654 -1.800 1.00 0.00 C ATOM 614 CG GLU A1975 5.133 13.922 -0.525 1.00 0.00 C ATOM 615 CD GLU A1975 6.461 14.484 -0.033 1.00 0.00 C ATOM 616 OE1 GLU A1975 6.538 15.713 0.207 1.00 0.00 O ATOM 617 OE2 GLU A1975 7.414 13.700 0.183 1.00 0.00 O ATOM 0 H GLU A1975 2.467 13.311 -1.009 1.00 0.00 H new ATOM 0 HA GLU A1975 3.461 14.571 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A1975 5.591 14.824 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A1975 4.317 15.634 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A1975 4.370 14.038 0.245 1.00 0.00 H new ATOM 0 HG3 GLU A1975 5.229 12.854 -0.721 1.00 0.00 H new ATOM 624 N ILE A1976 3.305 11.574 -3.324 1.00 0.00 N ATOM 625 CA ILE A1976 3.673 10.248 -3.815 1.00 0.00 C ATOM 626 C ILE A1976 2.952 9.876 -5.117 1.00 0.00 C ATOM 627 O ILE A1976 1.736 10.066 -5.245 1.00 0.00 O ATOM 628 CB ILE A1976 3.394 9.235 -2.679 1.00 0.00 C ATOM 629 CG1 ILE A1976 4.121 9.675 -1.397 1.00 0.00 C ATOM 630 CG2 ILE A1976 3.749 7.787 -3.072 1.00 0.00 C ATOM 631 CD1 ILE A1976 3.864 8.758 -0.215 1.00 0.00 C ATOM 0 H ILE A1976 2.322 11.652 -3.064 1.00 0.00 H new ATOM 0 HA ILE A1976 4.732 10.236 -4.075 1.00 0.00 H new ATOM 0 HB ILE A1976 2.321 9.233 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A1976 5.193 9.714 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE A1976 3.807 10.686 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A1976 3.533 7.120 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A1976 3.157 7.489 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A1976 4.809 7.727 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A1976 4.406 9.126 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A1976 2.796 8.738 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A1976 4.204 7.751 -0.455 1.00 0.00 H new ATOM 643 N ALA A1977 3.692 9.333 -6.090 1.00 0.00 N ATOM 644 CA ALA A1977 3.142 8.874 -7.368 1.00 0.00 C ATOM 645 C ALA A1977 2.879 7.371 -7.260 1.00 0.00 C ATOM 646 O ALA A1977 3.466 6.689 -6.419 1.00 0.00 O ATOM 647 CB ALA A1977 4.058 9.205 -8.535 1.00 0.00 C ATOM 0 H ALA A1977 4.700 9.199 -6.010 1.00 0.00 H new ATOM 0 HA ALA A1977 2.208 9.397 -7.571 1.00 0.00 H new ATOM 0 HB1 ALA A1977 3.610 8.846 -9.462 1.00 0.00 H new ATOM 0 HB2 ALA A1977 4.197 10.284 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A1977 5.024 8.722 -8.388 1.00 0.00 H new ATOM 653 N GLU A1978 2.050 6.823 -8.147 1.00 0.00 N ATOM 654 CA GLU A1978 1.689 5.402 -8.113 1.00 0.00 C ATOM 655 C GLU A1978 2.647 4.498 -8.882 1.00 0.00 C ATOM 656 O GLU A1978 2.695 3.297 -8.615 1.00 0.00 O ATOM 657 CB GLU A1978 0.216 5.241 -8.528 1.00 0.00 C ATOM 658 CG GLU A1978 -0.660 6.223 -7.738 1.00 0.00 C ATOM 659 CD GLU A1978 -2.155 5.984 -7.830 1.00 0.00 C ATOM 660 OE1 GLU A1978 -2.652 5.516 -8.880 1.00 0.00 O ATOM 661 OE2 GLU A1978 -2.826 6.254 -6.808 1.00 0.00 O ATOM 0 H GLU A1978 1.611 7.345 -8.905 1.00 0.00 H new ATOM 0 HA GLU A1978 1.796 5.052 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A1978 0.108 5.423 -9.597 1.00 0.00 H new ATOM 0 HB3 GLU A1978 -0.113 4.218 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A1978 -0.367 6.181 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A1978 -0.449 7.234 -8.088 1.00 0.00 H new ATOM 668 N ASP A1979 3.446 5.077 -9.776 1.00 0.00 N ATOM 669 CA ASP A1979 4.445 4.395 -10.598 1.00 0.00 C ATOM 670 C ASP A1979 5.868 4.824 -10.224 1.00 0.00 C ATOM 671 O ASP A1979 6.811 4.480 -10.932 1.00 0.00 O ATOM 672 CB ASP A1979 4.156 4.580 -12.096 1.00 0.00 C ATOM 673 CG ASP A1979 4.808 5.829 -12.686 1.00 0.00 C ATOM 674 OD1 ASP A1979 4.464 6.940 -12.225 1.00 0.00 O ATOM 675 OD2 ASP A1979 5.628 5.683 -13.622 1.00 0.00 O ATOM 0 H ASP A1979 3.413 6.081 -9.956 1.00 0.00 H new ATOM 0 HA ASP A1979 4.374 3.327 -10.390 1.00 0.00 H new ATOM 0 HB2 ASP A1979 4.509 3.703 -12.638 1.00 0.00 H new ATOM 0 HB3 ASP A1979 3.078 4.635 -12.247 1.00 0.00 H new ATOM 680 N GLN A1980 6.027 5.614 -9.154 1.00 0.00 N ATOM 681 CA GLN A1980 7.345 6.053 -8.698 1.00 0.00 C ATOM 682 C GLN A1980 7.826 5.055 -7.664 1.00 0.00 C ATOM 683 O GLN A1980 7.048 4.585 -6.825 1.00 0.00 O ATOM 684 CB GLN A1980 7.325 7.468 -8.107 1.00 0.00 C ATOM 685 CG GLN A1980 8.710 7.938 -7.629 1.00 0.00 C ATOM 686 CD GLN A1980 9.677 7.991 -8.799 1.00 0.00 C ATOM 687 OE1 GLN A1980 10.347 7.007 -9.106 1.00 0.00 O ATOM 688 NE2 GLN A1980 9.675 9.090 -9.527 1.00 0.00 N ATOM 0 H GLN A1980 5.253 5.962 -8.588 1.00 0.00 H new ATOM 0 HA GLN A1980 8.020 6.094 -9.553 1.00 0.00 H new ATOM 0 HB2 GLN A1980 6.950 8.164 -8.857 1.00 0.00 H new ATOM 0 HB3 GLN A1980 6.628 7.496 -7.269 1.00 0.00 H new ATOM 0 HG2 GLN A1980 8.629 8.923 -7.169 1.00 0.00 H new ATOM 0 HG3 GLN A1980 9.089 7.259 -6.865 1.00 0.00 H new ATOM 0 HE21 GLN A1980 9.107 9.889 -9.243 1.00 0.00 H new ATOM 0 HE22 GLN A1980 10.241 9.142 -10.374 1.00 0.00 H new ATOM 697 N LYS A1981 9.115 4.746 -7.711 1.00 0.00 N ATOM 698 CA LYS A1981 9.713 3.790 -6.802 1.00 0.00 C ATOM 699 C LYS A1981 9.807 4.340 -5.388 1.00 0.00 C ATOM 700 O LYS A1981 10.288 5.454 -5.203 1.00 0.00 O ATOM 701 CB LYS A1981 11.074 3.333 -7.333 1.00 0.00 C ATOM 702 CG LYS A1981 10.886 2.712 -8.721 1.00 0.00 C ATOM 703 CD LYS A1981 11.911 1.633 -9.068 1.00 0.00 C ATOM 704 CE LYS A1981 11.297 0.838 -10.216 1.00 0.00 C ATOM 705 NZ LYS A1981 12.142 -0.306 -10.636 1.00 0.00 N ATOM 0 H LYS A1981 9.770 5.152 -8.380 1.00 0.00 H new ATOM 0 HA LYS A1981 9.063 2.917 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A1981 11.759 4.179 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A1981 11.519 2.607 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A1981 9.887 2.281 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A1981 10.939 3.502 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A1981 12.862 2.076 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A1981 12.111 0.992 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A1981 10.317 0.469 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A1981 11.139 1.500 -11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A1981 11.582 -0.953 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A1981 12.955 0.045 -11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A1981 12.482 -0.814 -9.794 1.00 0.00 H new ATOM 719 N PHE A1982 9.432 3.546 -4.384 1.00 0.00 N ATOM 720 CA PHE A1982 9.506 3.955 -2.978 1.00 0.00 C ATOM 721 C PHE A1982 10.954 4.323 -2.656 1.00 0.00 C ATOM 722 O PHE A1982 11.205 5.276 -1.927 1.00 0.00 O ATOM 723 CB PHE A1982 9.025 2.834 -2.047 1.00 0.00 C ATOM 724 CG PHE A1982 7.752 2.151 -2.465 1.00 0.00 C ATOM 725 CD1 PHE A1982 6.628 2.948 -2.684 1.00 0.00 C ATOM 726 CD2 PHE A1982 7.671 0.752 -2.606 1.00 0.00 C ATOM 727 CE1 PHE A1982 5.427 2.350 -3.069 1.00 0.00 C ATOM 728 CE2 PHE A1982 6.450 0.153 -2.964 1.00 0.00 C ATOM 729 CZ PHE A1982 5.320 0.956 -3.198 1.00 0.00 C ATOM 0 H PHE A1982 9.069 2.603 -4.521 1.00 0.00 H new ATOM 0 HA PHE A1982 8.854 4.814 -2.820 1.00 0.00 H new ATOM 0 HB2 PHE A1982 9.812 2.084 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE A1982 8.884 3.249 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE A1982 6.687 4.019 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A1982 8.545 0.140 -2.439 1.00 0.00 H new ATOM 0 HE1 PHE A1982 4.566 2.970 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A1982 6.381 -0.921 -3.059 1.00 0.00 H new ATOM 0 HZ PHE A1982 4.378 0.505 -3.474 1.00 0.00 H new ATOM 739 N VAL A1983 11.923 3.586 -3.212 1.00 0.00 N ATOM 740 CA VAL A1983 13.343 3.830 -2.982 1.00 0.00 C ATOM 741 C VAL A1983 13.750 5.234 -3.428 1.00 0.00 C ATOM 742 O VAL A1983 14.618 5.839 -2.804 1.00 0.00 O ATOM 743 CB VAL A1983 14.213 2.728 -3.617 1.00 0.00 C ATOM 744 CG1 VAL A1983 13.774 1.353 -3.105 1.00 0.00 C ATOM 745 CG2 VAL A1983 14.181 2.678 -5.148 1.00 0.00 C ATOM 0 H VAL A1983 11.738 2.801 -3.836 1.00 0.00 H new ATOM 0 HA VAL A1983 13.521 3.785 -1.908 1.00 0.00 H new ATOM 0 HB VAL A1983 15.232 2.979 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A1983 14.394 0.580 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A1983 13.884 1.316 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A1983 12.730 1.182 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A1983 14.824 1.871 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A1983 13.160 2.501 -5.485 1.00 0.00 H new ATOM 0 HG23 VAL A1983 14.537 3.626 -5.551 1.00 0.00 H new ATOM 755 N ASP A1984 13.124 5.751 -4.492 1.00 0.00 N ATOM 756 CA ASP A1984 13.416 7.087 -4.995 1.00 0.00 C ATOM 757 C ASP A1984 12.919 8.122 -4.000 1.00 0.00 C ATOM 758 O ASP A1984 13.540 9.167 -3.805 1.00 0.00 O ATOM 759 CB ASP A1984 12.724 7.337 -6.342 1.00 0.00 C ATOM 760 CG ASP A1984 13.153 8.689 -6.901 1.00 0.00 C ATOM 761 OD1 ASP A1984 14.265 8.728 -7.479 1.00 0.00 O ATOM 762 OD2 ASP A1984 12.409 9.679 -6.709 1.00 0.00 O ATOM 0 H ASP A1984 12.407 5.255 -5.021 1.00 0.00 H new ATOM 0 HA ASP A1984 14.495 7.167 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A1984 12.980 6.545 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A1984 11.642 7.313 -6.215 1.00 0.00 H new ATOM 767 N LEU A1985 11.785 7.831 -3.365 1.00 0.00 N ATOM 768 CA LEU A1985 11.200 8.724 -2.385 1.00 0.00 C ATOM 769 C LEU A1985 12.032 8.687 -1.100 1.00 0.00 C ATOM 770 O LEU A1985 12.178 9.731 -0.473 1.00 0.00 O ATOM 771 CB LEU A1985 9.713 8.411 -2.168 1.00 0.00 C ATOM 772 CG LEU A1985 8.842 8.471 -3.445 1.00 0.00 C ATOM 773 CD1 LEU A1985 7.360 8.565 -3.087 1.00 0.00 C ATOM 774 CD2 LEU A1985 9.139 9.662 -4.364 1.00 0.00 C ATOM 0 H LEU A1985 11.254 6.974 -3.519 1.00 0.00 H new ATOM 0 HA LEU A1985 11.226 9.749 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A1985 9.626 7.415 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A1985 9.311 9.114 -1.438 1.00 0.00 H new ATOM 0 HG LEU A1985 9.088 7.551 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A1985 6.767 8.606 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A1985 7.070 7.690 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A1985 7.184 9.466 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A1985 8.482 9.624 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A1985 8.968 10.592 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A1985 10.178 9.619 -4.692 1.00 0.00 H new ATOM 786 N GLY A1986 12.634 7.540 -0.756 1.00 0.00 N ATOM 787 CA GLY A1986 13.479 7.359 0.426 1.00 0.00 C ATOM 788 C GLY A1986 13.339 6.014 1.142 1.00 0.00 C ATOM 789 O GLY A1986 13.803 5.863 2.268 1.00 0.00 O ATOM 0 H GLY A1986 12.542 6.689 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A1986 14.520 7.485 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A1986 13.253 8.154 1.137 1.00 0.00 H new ATOM 793 N LEU A1987 12.707 5.020 0.520 1.00 0.00 N ATOM 794 CA LEU A1987 12.502 3.701 1.107 1.00 0.00 C ATOM 795 C LEU A1987 13.801 2.917 1.140 1.00 0.00 C ATOM 796 O LEU A1987 14.503 2.777 0.129 1.00 0.00 O ATOM 797 CB LEU A1987 11.420 2.977 0.302 1.00 0.00 C ATOM 798 CG LEU A1987 10.636 1.829 0.961 1.00 0.00 C ATOM 799 CD1 LEU A1987 11.483 0.693 1.519 1.00 0.00 C ATOM 800 CD2 LEU A1987 9.741 2.360 2.085 1.00 0.00 C ATOM 0 H LEU A1987 12.318 5.112 -0.419 1.00 0.00 H new ATOM 0 HA LEU A1987 12.172 3.798 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A1987 10.696 3.725 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A1987 11.891 2.579 -0.597 1.00 0.00 H new ATOM 0 HG LEU A1987 10.051 1.407 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A1987 10.833 -0.062 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A1987 12.066 0.245 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A1987 12.157 1.083 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A1987 9.195 1.532 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A1987 10.357 2.846 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A1987 9.033 3.081 1.676 1.00 0.00 H new ATOM 812 N ASP A1988 14.082 2.338 2.299 1.00 0.00 N ATOM 813 CA ASP A1988 15.262 1.539 2.554 1.00 0.00 C ATOM 814 C ASP A1988 14.950 0.155 3.107 1.00 0.00 C ATOM 815 O ASP A1988 13.803 -0.257 3.287 1.00 0.00 O ATOM 816 CB ASP A1988 16.274 2.321 3.388 1.00 0.00 C ATOM 817 CG ASP A1988 16.022 2.413 4.886 1.00 0.00 C ATOM 818 OD1 ASP A1988 15.200 1.645 5.421 1.00 0.00 O ATOM 819 OD2 ASP A1988 16.773 3.184 5.516 1.00 0.00 O ATOM 0 H ASP A1988 13.471 2.417 3.112 1.00 0.00 H new ATOM 0 HA ASP A1988 15.731 1.335 1.591 1.00 0.00 H new ATOM 0 HB2 ASP A1988 17.255 1.870 3.238 1.00 0.00 H new ATOM 0 HB3 ASP A1988 16.326 3.335 2.992 1.00 0.00 H new ATOM 824 N SER A1989 16.025 -0.588 3.334 1.00 0.00 N ATOM 825 CA SER A1989 15.970 -1.945 3.833 1.00 0.00 C ATOM 826 C SER A1989 15.288 -2.093 5.198 1.00 0.00 C ATOM 827 O SER A1989 14.824 -3.190 5.512 1.00 0.00 O ATOM 828 CB SER A1989 17.405 -2.475 3.905 1.00 0.00 C ATOM 829 OG SER A1989 17.544 -3.682 3.186 1.00 0.00 O ATOM 0 H SER A1989 16.975 -0.253 3.172 1.00 0.00 H new ATOM 0 HA SER A1989 15.353 -2.521 3.144 1.00 0.00 H new ATOM 0 HB2 SER A1989 18.091 -1.729 3.503 1.00 0.00 H new ATOM 0 HB3 SER A1989 17.683 -2.636 4.946 1.00 0.00 H new ATOM 0 HG SER A1989 18.470 -3.995 3.249 1.00 0.00 H new ATOM 835 N ILE A1990 15.355 -1.073 6.045 1.00 0.00 N ATOM 836 CA ILE A1990 14.775 -1.033 7.368 1.00 0.00 C ATOM 837 C ILE A1990 13.278 -0.760 7.245 1.00 0.00 C ATOM 838 O ILE A1990 12.470 -1.588 7.670 1.00 0.00 O ATOM 839 CB ILE A1990 15.522 0.009 8.234 1.00 0.00 C ATOM 840 CG1 ILE A1990 17.043 -0.279 8.320 1.00 0.00 C ATOM 841 CG2 ILE A1990 14.954 -0.002 9.659 1.00 0.00 C ATOM 842 CD1 ILE A1990 17.904 0.390 7.242 1.00 0.00 C ATOM 0 H ILE A1990 15.843 -0.209 5.808 1.00 0.00 H new ATOM 0 HA ILE A1990 14.887 -1.991 7.875 1.00 0.00 H new ATOM 0 HB ILE A1990 15.379 0.979 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A1990 17.401 0.043 9.298 1.00 0.00 H new ATOM 0 HG13 ILE A1990 17.195 -1.357 8.264 1.00 0.00 H new ATOM 0 HG21 ILE A1990 15.482 0.733 10.267 1.00 0.00 H new ATOM 0 HG22 ILE A1990 13.893 0.246 9.630 1.00 0.00 H new ATOM 0 HG23 ILE A1990 15.083 -0.993 10.094 1.00 0.00 H new ATOM 0 HD11 ILE A1990 18.950 0.123 7.394 1.00 0.00 H new ATOM 0 HD12 ILE A1990 17.583 0.051 6.257 1.00 0.00 H new ATOM 0 HD13 ILE A1990 17.792 1.472 7.307 1.00 0.00 H new ATOM 854 N VAL A1991 12.918 0.383 6.659 1.00 0.00 N ATOM 855 CA VAL A1991 11.540 0.825 6.471 1.00 0.00 C ATOM 856 C VAL A1991 10.736 -0.212 5.689 1.00 0.00 C ATOM 857 O VAL A1991 9.580 -0.483 6.016 1.00 0.00 O ATOM 858 CB VAL A1991 11.503 2.202 5.771 1.00 0.00 C ATOM 859 CG1 VAL A1991 10.070 2.755 5.724 1.00 0.00 C ATOM 860 CG2 VAL A1991 12.364 3.264 6.465 1.00 0.00 C ATOM 0 H VAL A1991 13.601 1.046 6.291 1.00 0.00 H new ATOM 0 HA VAL A1991 11.078 0.931 7.452 1.00 0.00 H new ATOM 0 HB VAL A1991 11.899 2.018 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A1991 10.070 3.725 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A1991 9.432 2.065 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A1991 9.690 2.868 6.739 1.00 0.00 H new ATOM 0 HG21 VAL A1991 12.291 4.205 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A1991 12.011 3.408 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A1991 13.403 2.935 6.483 1.00 0.00 H new ATOM 870 N GLY A1992 11.337 -0.821 4.665 1.00 0.00 N ATOM 871 CA GLY A1992 10.642 -1.805 3.856 1.00 0.00 C ATOM 872 C GLY A1992 10.184 -3.019 4.653 1.00 0.00 C ATOM 873 O GLY A1992 9.135 -3.577 4.345 1.00 0.00 O ATOM 0 H GLY A1992 12.301 -0.646 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A1992 9.775 -1.336 3.390 1.00 0.00 H new ATOM 0 HA3 GLY A1992 11.299 -2.134 3.051 1.00 0.00 H new ATOM 877 N VAL A1993 10.932 -3.441 5.671 1.00 0.00 N ATOM 878 CA VAL A1993 10.582 -4.593 6.495 1.00 0.00 C ATOM 879 C VAL A1993 9.399 -4.235 7.390 1.00 0.00 C ATOM 880 O VAL A1993 8.408 -4.958 7.394 1.00 0.00 O ATOM 881 CB VAL A1993 11.821 -5.019 7.319 1.00 0.00 C ATOM 882 CG1 VAL A1993 11.524 -6.077 8.390 1.00 0.00 C ATOM 883 CG2 VAL A1993 12.949 -5.570 6.437 1.00 0.00 C ATOM 0 H VAL A1993 11.804 -2.989 5.948 1.00 0.00 H new ATOM 0 HA VAL A1993 10.284 -5.436 5.871 1.00 0.00 H new ATOM 0 HB VAL A1993 12.130 -4.095 7.808 1.00 0.00 H new ATOM 0 HG11 VAL A1993 12.442 -6.322 8.924 1.00 0.00 H new ATOM 0 HG12 VAL A1993 10.789 -5.686 9.093 1.00 0.00 H new ATOM 0 HG13 VAL A1993 11.130 -6.975 7.915 1.00 0.00 H new ATOM 0 HG21 VAL A1993 13.795 -5.854 7.063 1.00 0.00 H new ATOM 0 HG22 VAL A1993 12.591 -6.444 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A1993 13.264 -4.804 5.728 1.00 0.00 H new ATOM 893 N GLU A1994 9.471 -3.138 8.139 1.00 0.00 N ATOM 894 CA GLU A1994 8.375 -2.756 9.026 1.00 0.00 C ATOM 895 C GLU A1994 7.094 -2.444 8.246 1.00 0.00 C ATOM 896 O GLU A1994 6.009 -2.872 8.659 1.00 0.00 O ATOM 897 CB GLU A1994 8.805 -1.621 9.959 1.00 0.00 C ATOM 898 CG GLU A1994 9.400 -0.410 9.242 1.00 0.00 C ATOM 899 CD GLU A1994 9.826 0.646 10.266 1.00 0.00 C ATOM 900 OE1 GLU A1994 10.823 0.400 10.981 1.00 0.00 O ATOM 901 OE2 GLU A1994 9.171 1.707 10.384 1.00 0.00 O ATOM 0 H GLU A1994 10.269 -2.503 8.150 1.00 0.00 H new ATOM 0 HA GLU A1994 8.132 -3.609 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A1994 7.941 -1.297 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A1994 9.539 -2.006 10.667 1.00 0.00 H new ATOM 0 HG2 GLU A1994 10.258 -0.716 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A1994 8.667 0.013 8.555 1.00 0.00 H new ATOM 908 N TRP A1995 7.205 -1.791 7.082 1.00 0.00 N ATOM 909 CA TRP A1995 6.042 -1.455 6.276 1.00 0.00 C ATOM 910 C TRP A1995 5.418 -2.691 5.657 1.00 0.00 C ATOM 911 O TRP A1995 4.191 -2.777 5.559 1.00 0.00 O ATOM 912 CB TRP A1995 6.429 -0.486 5.164 1.00 0.00 C ATOM 913 CG TRP A1995 5.254 0.090 4.426 1.00 0.00 C ATOM 914 CD1 TRP A1995 4.264 0.824 4.978 1.00 0.00 C ATOM 915 CD2 TRP A1995 4.915 -0.007 3.010 1.00 0.00 C ATOM 916 NE1 TRP A1995 3.346 1.172 4.013 1.00 0.00 N ATOM 917 CE2 TRP A1995 3.706 0.707 2.771 1.00 0.00 C ATOM 918 CE3 TRP A1995 5.536 -0.593 1.893 1.00 0.00 C ATOM 919 CZ2 TRP A1995 3.158 0.851 1.487 1.00 0.00 C ATOM 920 CZ3 TRP A1995 5.025 -0.423 0.592 1.00 0.00 C ATOM 921 CH2 TRP A1995 3.852 0.325 0.386 1.00 0.00 C ATOM 0 H TRP A1995 8.094 -1.488 6.684 1.00 0.00 H new ATOM 0 HA TRP A1995 5.313 -0.989 6.938 1.00 0.00 H new ATOM 0 HB2 TRP A1995 7.013 0.329 5.592 1.00 0.00 H new ATOM 0 HB3 TRP A1995 7.075 -1.002 4.454 1.00 0.00 H new ATOM 0 HD1 TRP A1995 4.202 1.097 6.021 1.00 0.00 H new ATOM 0 HE1 TRP A1995 2.500 1.711 4.198 1.00 0.00 H new ATOM 0 HE3 TRP A1995 6.426 -1.188 2.036 1.00 0.00 H new ATOM 0 HZ2 TRP A1995 2.215 1.359 1.348 1.00 0.00 H new ATOM 0 HZ3 TRP A1995 5.535 -0.868 -0.250 1.00 0.00 H new ATOM 0 HH2 TRP A1995 3.486 0.494 -0.616 1.00 0.00 H new ATOM 932 N THR A1996 6.248 -3.663 5.250 1.00 0.00 N ATOM 933 CA THR A1996 5.706 -4.881 4.638 1.00 0.00 C ATOM 934 C THR A1996 4.737 -5.555 5.618 1.00 0.00 C ATOM 935 O THR A1996 3.750 -6.178 5.213 1.00 0.00 O ATOM 936 CB THR A1996 6.802 -5.833 4.105 1.00 0.00 C ATOM 937 OG1 THR A1996 6.343 -6.497 2.938 1.00 0.00 O ATOM 938 CG2 THR A1996 7.260 -6.910 5.093 1.00 0.00 C ATOM 0 H THR A1996 7.264 -3.632 5.330 1.00 0.00 H new ATOM 0 HA THR A1996 5.146 -4.599 3.746 1.00 0.00 H new ATOM 0 HB THR A1996 7.657 -5.185 3.910 1.00 0.00 H new ATOM 0 HG1 THR A1996 6.333 -7.464 3.095 1.00 0.00 H new ATOM 0 HG21 THR A1996 8.029 -7.527 4.628 1.00 0.00 H new ATOM 0 HG22 THR A1996 7.666 -6.435 5.986 1.00 0.00 H new ATOM 0 HG23 THR A1996 6.411 -7.535 5.369 1.00 0.00 H new ATOM 946 N THR A1997 5.019 -5.429 6.915 1.00 0.00 N ATOM 947 CA THR A1997 4.196 -6.011 7.943 1.00 0.00 C ATOM 948 C THR A1997 2.901 -5.234 8.112 1.00 0.00 C ATOM 949 O THR A1997 1.842 -5.858 8.134 1.00 0.00 O ATOM 950 CB THR A1997 4.996 -6.120 9.232 1.00 0.00 C ATOM 951 OG1 THR A1997 6.098 -6.973 9.002 1.00 0.00 O ATOM 952 CG2 THR A1997 4.130 -6.686 10.350 1.00 0.00 C ATOM 0 H THR A1997 5.828 -4.918 7.269 1.00 0.00 H new ATOM 0 HA THR A1997 3.903 -7.019 7.651 1.00 0.00 H new ATOM 0 HB THR A1997 5.340 -5.131 9.534 1.00 0.00 H new ATOM 0 HG1 THR A1997 6.626 -7.053 9.823 1.00 0.00 H new ATOM 0 HG21 THR A1997 4.718 -6.757 11.265 1.00 0.00 H new ATOM 0 HG22 THR A1997 3.277 -6.029 10.517 1.00 0.00 H new ATOM 0 HG23 THR A1997 3.775 -7.677 10.069 1.00 0.00 H new ATOM 960 N THR A1998 2.956 -3.901 8.186 1.00 0.00 N ATOM 961 CA THR A1998 1.754 -3.089 8.341 1.00 0.00 C ATOM 962 C THR A1998 0.777 -3.428 7.210 1.00 0.00 C ATOM 963 O THR A1998 -0.430 -3.479 7.430 1.00 0.00 O ATOM 964 CB THR A1998 2.171 -1.603 8.424 1.00 0.00 C ATOM 965 OG1 THR A1998 2.208 -1.265 9.796 1.00 0.00 O ATOM 966 CG2 THR A1998 1.276 -0.608 7.672 1.00 0.00 C ATOM 0 H THR A1998 3.822 -3.365 8.141 1.00 0.00 H new ATOM 0 HA THR A1998 1.220 -3.304 9.267 1.00 0.00 H new ATOM 0 HB THR A1998 3.136 -1.516 7.925 1.00 0.00 H new ATOM 0 HG1 THR A1998 2.471 -0.326 9.895 1.00 0.00 H new ATOM 0 HG21 THR A1998 1.666 0.402 7.802 1.00 0.00 H new ATOM 0 HG22 THR A1998 1.264 -0.859 6.611 1.00 0.00 H new ATOM 0 HG23 THR A1998 0.262 -0.659 8.068 1.00 0.00 H new ATOM 974 N ILE A1999 1.288 -3.730 6.019 1.00 0.00 N ATOM 975 CA ILE A1999 0.497 -4.100 4.855 1.00 0.00 C ATOM 976 C ILE A1999 -0.262 -5.402 5.164 1.00 0.00 C ATOM 977 O ILE A1999 -1.478 -5.481 4.990 1.00 0.00 O ATOM 978 CB ILE A1999 1.469 -4.184 3.647 1.00 0.00 C ATOM 979 CG1 ILE A1999 1.476 -2.854 2.890 1.00 0.00 C ATOM 980 CG2 ILE A1999 1.178 -5.351 2.698 1.00 0.00 C ATOM 981 CD1 ILE A1999 2.664 -2.746 1.930 1.00 0.00 C ATOM 0 H ILE A1999 2.291 -3.723 5.835 1.00 0.00 H new ATOM 0 HA ILE A1999 -0.270 -3.367 4.602 1.00 0.00 H new ATOM 0 HB ILE A1999 2.459 -4.381 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A1999 0.547 -2.751 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A1999 1.511 -2.031 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A1999 1.898 -5.343 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A1999 1.258 -6.292 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A1999 0.170 -5.250 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A1999 2.629 -1.786 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A1999 3.594 -2.822 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A1999 2.615 -3.553 1.199 1.00 0.00 H new ATOM 993 N ASN A2000 0.446 -6.423 5.651 1.00 0.00 N ATOM 994 CA ASN A2000 -0.108 -7.729 5.983 1.00 0.00 C ATOM 995 C ASN A2000 -1.179 -7.641 7.033 1.00 0.00 C ATOM 996 O ASN A2000 -2.094 -8.443 7.042 1.00 0.00 O ATOM 997 CB ASN A2000 0.963 -8.657 6.552 1.00 0.00 C ATOM 998 CG ASN A2000 2.082 -8.942 5.599 1.00 0.00 C ATOM 999 OD1 ASN A2000 1.858 -9.075 4.402 1.00 0.00 O ATOM 1000 ND2 ASN A2000 3.289 -9.078 6.114 1.00 0.00 N ATOM 0 H ASN A2000 1.448 -6.358 5.829 1.00 0.00 H new ATOM 0 HA ASN A2000 -0.516 -8.114 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A2000 1.374 -8.211 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A2000 0.498 -9.598 6.844 1.00 0.00 H new ATOM 0 HD21 ASN A2000 4.079 -9.302 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A2000 3.432 -8.959 7.117 1.00 0.00 H new ATOM 1007 N GLN A2001 -1.005 -6.717 7.948 1.00 0.00 N ATOM 1008 CA GLN A2001 -1.911 -6.468 9.055 1.00 0.00 C ATOM 1009 C GLN A2001 -3.158 -5.723 8.587 1.00 0.00 C ATOM 1010 O GLN A2001 -4.231 -5.905 9.164 1.00 0.00 O ATOM 1011 CB GLN A2001 -1.173 -5.748 10.187 1.00 0.00 C ATOM 1012 CG GLN A2001 -0.039 -6.617 10.777 1.00 0.00 C ATOM 1013 CD GLN A2001 0.004 -6.635 12.306 1.00 0.00 C ATOM 1014 OE1 GLN A2001 -0.498 -5.738 12.978 1.00 0.00 O ATOM 1015 NE2 GLN A2001 0.626 -7.642 12.901 1.00 0.00 N ATOM 0 H GLN A2001 -0.199 -6.092 7.946 1.00 0.00 H new ATOM 0 HA GLN A2001 -2.261 -7.420 9.454 1.00 0.00 H new ATOM 0 HB2 GLN A2001 -0.757 -4.813 9.812 1.00 0.00 H new ATOM 0 HB3 GLN A2001 -1.880 -5.489 10.975 1.00 0.00 H new ATOM 0 HG2 GLN A2001 -0.154 -7.639 10.416 1.00 0.00 H new ATOM 0 HG3 GLN A2001 0.917 -6.251 10.402 1.00 0.00 H new ATOM 0 HE21 GLN A2001 1.042 -8.386 12.342 1.00 0.00 H new ATOM 0 HE22 GLN A2001 0.688 -7.673 13.919 1.00 0.00 H new ATOM 1024 N THR A2002 -3.051 -4.893 7.552 1.00 0.00 N ATOM 1025 CA THR A2002 -4.184 -4.147 7.025 1.00 0.00 C ATOM 1026 C THR A2002 -5.121 -5.071 6.241 1.00 0.00 C ATOM 1027 O THR A2002 -6.343 -4.957 6.349 1.00 0.00 O ATOM 1028 CB THR A2002 -3.645 -3.013 6.135 1.00 0.00 C ATOM 1029 OG1 THR A2002 -2.923 -2.085 6.916 1.00 0.00 O ATOM 1030 CG2 THR A2002 -4.726 -2.244 5.382 1.00 0.00 C ATOM 0 H THR A2002 -2.176 -4.721 7.057 1.00 0.00 H new ATOM 0 HA THR A2002 -4.765 -3.721 7.843 1.00 0.00 H new ATOM 0 HB THR A2002 -3.011 -3.505 5.397 1.00 0.00 H new ATOM 0 HG1 THR A2002 -2.050 -2.464 7.150 1.00 0.00 H new ATOM 0 HG21 THR A2002 -4.263 -1.463 4.779 1.00 0.00 H new ATOM 0 HG22 THR A2002 -5.274 -2.927 4.733 1.00 0.00 H new ATOM 0 HG23 THR A2002 -5.414 -1.791 6.096 1.00 0.00 H new ATOM 1038 N TYR A2003 -4.565 -6.023 5.486 1.00 0.00 N ATOM 1039 CA TYR A2003 -5.341 -6.934 4.657 1.00 0.00 C ATOM 1040 C TYR A2003 -5.369 -8.371 5.146 1.00 0.00 C ATOM 1041 O TYR A2003 -6.035 -9.189 4.514 1.00 0.00 O ATOM 1042 CB TYR A2003 -4.823 -6.829 3.223 1.00 0.00 C ATOM 1043 CG TYR A2003 -4.615 -5.419 2.710 1.00 0.00 C ATOM 1044 CD1 TYR A2003 -5.712 -4.568 2.509 1.00 0.00 C ATOM 1045 CD2 TYR A2003 -3.305 -4.940 2.517 1.00 0.00 C ATOM 1046 CE1 TYR A2003 -5.505 -3.230 2.140 1.00 0.00 C ATOM 1047 CE2 TYR A2003 -3.087 -3.595 2.170 1.00 0.00 C ATOM 1048 CZ TYR A2003 -4.192 -2.729 2.000 1.00 0.00 C ATOM 1049 OH TYR A2003 -3.989 -1.417 1.706 1.00 0.00 O ATOM 0 H TYR A2003 -3.558 -6.180 5.436 1.00 0.00 H new ATOM 0 HA TYR A2003 -6.385 -6.626 4.714 1.00 0.00 H new ATOM 0 HB2 TYR A2003 -3.876 -7.365 3.156 1.00 0.00 H new ATOM 0 HB3 TYR A2003 -5.525 -7.338 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A2003 -6.717 -4.943 2.638 1.00 0.00 H new ATOM 0 HD2 TYR A2003 -2.465 -5.608 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A2003 -6.351 -2.582 1.963 1.00 0.00 H new ATOM 0 HE2 TYR A2003 -2.081 -3.225 2.034 1.00 0.00 H new ATOM 0 HH TYR A2003 -3.027 -1.240 1.647 1.00 0.00 H new ATOM 1059 N ASN A2004 -4.715 -8.671 6.268 1.00 0.00 N ATOM 1060 CA ASN A2004 -4.624 -9.989 6.885 1.00 0.00 C ATOM 1061 C ASN A2004 -4.032 -11.022 5.930 1.00 0.00 C ATOM 1062 O ASN A2004 -4.749 -11.884 5.418 1.00 0.00 O ATOM 1063 CB ASN A2004 -5.976 -10.394 7.443 1.00 0.00 C ATOM 1064 CG ASN A2004 -5.845 -11.640 8.319 1.00 0.00 C ATOM 1065 OD1 ASN A2004 -4.776 -11.932 8.859 1.00 0.00 O ATOM 1066 ND2 ASN A2004 -6.922 -12.385 8.485 1.00 0.00 N ATOM 0 H ASN A2004 -4.208 -7.961 6.797 1.00 0.00 H new ATOM 0 HA ASN A2004 -3.929 -9.940 7.723 1.00 0.00 H new ATOM 0 HB2 ASN A2004 -6.395 -9.575 8.027 1.00 0.00 H new ATOM 0 HB3 ASN A2004 -6.669 -10.589 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A2004 -6.879 -13.220 9.069 1.00 0.00 H new ATOM 0 HD22 ASN A2004 -7.797 -12.126 8.029 1.00 0.00 H new ATOM 1073 N LEU A2005 -2.739 -10.849 5.638 1.00 0.00 N ATOM 1074 CA LEU A2005 -1.929 -11.656 4.725 1.00 0.00 C ATOM 1075 C LEU A2005 -0.556 -11.941 5.338 1.00 0.00 C ATOM 1076 O LEU A2005 -0.353 -11.764 6.540 1.00 0.00 O ATOM 1077 CB LEU A2005 -1.765 -10.928 3.372 1.00 0.00 C ATOM 1078 CG LEU A2005 -3.021 -10.188 2.872 1.00 0.00 C ATOM 1079 CD1 LEU A2005 -2.706 -9.251 1.720 1.00 0.00 C ATOM 1080 CD2 LEU A2005 -4.157 -11.142 2.501 1.00 0.00 C ATOM 0 H LEU A2005 -2.198 -10.094 6.060 1.00 0.00 H new ATOM 0 HA LEU A2005 -2.439 -12.604 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A2005 -0.950 -10.210 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A2005 -1.468 -11.657 2.618 1.00 0.00 H new ATOM 0 HG LEU A2005 -3.367 -9.585 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A2005 -3.619 -8.750 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A2005 -1.979 -8.507 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A2005 -2.294 -9.823 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A2005 -5.016 -10.567 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A2005 -3.825 -11.812 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A2005 -4.440 -11.728 3.375 1.00 0.00 H new ATOM 1092 N ASN A2006 0.385 -12.442 4.533 1.00 0.00 N ATOM 1093 CA ASN A2006 1.747 -12.742 4.936 1.00 0.00 C ATOM 1094 C ASN A2006 2.722 -12.414 3.809 1.00 0.00 C ATOM 1095 O ASN A2006 2.712 -13.093 2.787 1.00 0.00 O ATOM 1096 CB ASN A2006 1.931 -14.215 5.313 1.00 0.00 C ATOM 1097 CG ASN A2006 3.391 -14.430 5.673 1.00 0.00 C ATOM 1098 OD1 ASN A2006 4.136 -15.175 5.039 1.00 0.00 O ATOM 1099 ND2 ASN A2006 3.863 -13.659 6.634 1.00 0.00 N ATOM 0 H ASN A2006 0.206 -12.654 3.552 1.00 0.00 H new ATOM 0 HA ASN A2006 1.951 -12.127 5.813 1.00 0.00 H new ATOM 0 HB2 ASN A2006 1.289 -14.476 6.154 1.00 0.00 H new ATOM 0 HB3 ASN A2006 1.645 -14.859 4.482 1.00 0.00 H new ATOM 0 HD21 ASN A2006 4.858 -13.676 6.859 1.00 0.00 H new ATOM 0 HD22 ASN A2006 3.233 -13.046 7.152 1.00 0.00 H new ATOM 1106 N LEU A2007 3.596 -11.427 4.015 1.00 0.00 N ATOM 1107 CA LEU A2007 4.609 -10.957 3.063 1.00 0.00 C ATOM 1108 C LEU A2007 5.867 -10.550 3.811 1.00 0.00 C ATOM 1109 O LEU A2007 5.847 -10.480 5.044 1.00 0.00 O ATOM 1110 CB LEU A2007 4.099 -9.727 2.304 1.00 0.00 C ATOM 1111 CG LEU A2007 2.803 -9.971 1.512 1.00 0.00 C ATOM 1112 CD1 LEU A2007 2.222 -8.631 1.088 1.00 0.00 C ATOM 1113 CD2 LEU A2007 3.032 -10.902 0.321 1.00 0.00 C ATOM 0 H LEU A2007 3.619 -10.907 4.892 1.00 0.00 H new ATOM 0 HA LEU A2007 4.820 -11.767 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A2007 3.931 -8.918 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A2007 4.875 -9.390 1.616 1.00 0.00 H new ATOM 0 HG LEU A2007 2.083 -10.480 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A2007 1.303 -8.795 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A2007 2.005 -8.032 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A2007 2.942 -8.104 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A2007 2.093 -11.049 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A2007 3.766 -10.458 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A2007 3.401 -11.864 0.677 1.00 0.00 H new ATOM 1125 N LYS A2008 6.969 -10.306 3.094 1.00 0.00 N ATOM 1126 CA LYS A2008 8.235 -9.897 3.668 1.00 0.00 C ATOM 1127 C LYS A2008 8.866 -8.781 2.852 1.00 0.00 C ATOM 1128 O LYS A2008 8.251 -8.263 1.918 1.00 0.00 O ATOM 1129 CB LYS A2008 9.092 -11.132 3.897 1.00 0.00 C ATOM 1130 CG LYS A2008 9.581 -11.899 2.659 1.00 0.00 C ATOM 1131 CD LYS A2008 11.096 -11.819 2.473 1.00 0.00 C ATOM 1132 CE LYS A2008 11.866 -12.408 3.650 1.00 0.00 C ATOM 1133 NZ LYS A2008 11.995 -13.871 3.577 1.00 0.00 N ATOM 0 H LYS A2008 6.996 -10.392 2.078 1.00 0.00 H new ATOM 0 HA LYS A2008 8.103 -9.445 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A2008 9.967 -10.831 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A2008 8.524 -11.824 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A2008 9.285 -12.944 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A2008 9.089 -11.500 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A2008 11.374 -12.348 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A2008 11.387 -10.777 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A2008 12.860 -11.962 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A2008 11.362 -12.139 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A2008 12.527 -14.214 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A2008 11.049 -14.303 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A2008 12.501 -14.132 2.706 1.00 0.00 H new ATOM 1147 N ALA A2009 10.094 -8.400 3.197 1.00 0.00 N ATOM 1148 CA ALA A2009 10.835 -7.334 2.532 1.00 0.00 C ATOM 1149 C ALA A2009 11.002 -7.573 1.036 1.00 0.00 C ATOM 1150 O ALA A2009 11.061 -6.619 0.269 1.00 0.00 O ATOM 1151 CB ALA A2009 12.199 -7.190 3.191 1.00 0.00 C ATOM 0 H ALA A2009 10.611 -8.833 3.962 1.00 0.00 H new ATOM 0 HA ALA A2009 10.258 -6.415 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A2009 12.759 -6.395 2.699 1.00 0.00 H new ATOM 0 HB2 ALA A2009 12.070 -6.944 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A2009 12.747 -8.128 3.102 1.00 0.00 H new ATOM 1157 N THR A2010 11.019 -8.834 0.601 1.00 0.00 N ATOM 1158 CA THR A2010 11.165 -9.154 -0.805 1.00 0.00 C ATOM 1159 C THR A2010 10.041 -8.503 -1.617 1.00 0.00 C ATOM 1160 O THR A2010 10.272 -8.190 -2.777 1.00 0.00 O ATOM 1161 CB THR A2010 11.312 -10.671 -0.979 1.00 0.00 C ATOM 1162 OG1 THR A2010 12.093 -10.950 -2.116 1.00 0.00 O ATOM 1163 CG2 THR A2010 9.976 -11.403 -1.046 1.00 0.00 C ATOM 0 H THR A2010 10.933 -9.647 1.211 1.00 0.00 H new ATOM 0 HA THR A2010 12.083 -8.728 -1.211 1.00 0.00 H new ATOM 0 HB THR A2010 11.815 -11.046 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A2010 12.184 -11.920 -2.220 1.00 0.00 H new ATOM 0 HG21 THR A2010 10.152 -12.472 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A2010 9.420 -11.231 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A2010 9.399 -11.030 -1.892 1.00 0.00 H new ATOM 1171 N LYS A2011 8.852 -8.252 -1.040 1.00 0.00 N ATOM 1172 CA LYS A2011 7.791 -7.592 -1.805 1.00 0.00 C ATOM 1173 C LYS A2011 8.208 -6.204 -2.251 1.00 0.00 C ATOM 1174 O LYS A2011 7.929 -5.830 -3.386 1.00 0.00 O ATOM 1175 CB LYS A2011 6.534 -7.414 -0.971 1.00 0.00 C ATOM 1176 CG LYS A2011 5.677 -8.654 -0.946 1.00 0.00 C ATOM 1177 CD LYS A2011 5.148 -8.991 -2.347 1.00 0.00 C ATOM 1178 CE LYS A2011 5.893 -10.215 -2.871 1.00 0.00 C ATOM 1179 NZ LYS A2011 5.504 -10.710 -4.215 1.00 0.00 N ATOM 0 H LYS A2011 8.610 -8.489 -0.078 1.00 0.00 H new ATOM 0 HA LYS A2011 7.601 -8.235 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A2011 6.813 -7.149 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A2011 5.953 -6.582 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A2011 6.258 -9.493 -0.562 1.00 0.00 H new ATOM 0 HG3 LYS A2011 4.840 -8.507 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A2011 4.077 -9.189 -2.309 1.00 0.00 H new ATOM 0 HD3 LYS A2011 5.292 -8.145 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A2011 6.958 -9.983 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A2011 5.757 -11.027 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A2011 5.794 -11.704 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A2011 4.473 -10.637 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A2011 5.973 -10.137 -4.945 1.00 0.00 H new ATOM 1193 N LEU A2012 8.843 -5.447 -1.360 1.00 0.00 N ATOM 1194 CA LEU A2012 9.312 -4.093 -1.661 1.00 0.00 C ATOM 1195 C LEU A2012 10.331 -4.157 -2.806 1.00 0.00 C ATOM 1196 O LEU A2012 10.457 -3.221 -3.597 1.00 0.00 O ATOM 1197 CB LEU A2012 9.906 -3.468 -0.383 1.00 0.00 C ATOM 1198 CG LEU A2012 8.870 -2.774 0.523 1.00 0.00 C ATOM 1199 CD1 LEU A2012 8.430 -1.462 -0.138 1.00 0.00 C ATOM 1200 CD2 LEU A2012 7.668 -3.681 0.862 1.00 0.00 C ATOM 0 H LEU A2012 9.048 -5.753 -0.409 1.00 0.00 H new ATOM 0 HA LEU A2012 8.488 -3.459 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A2012 10.408 -4.248 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A2012 10.667 -2.742 -0.668 1.00 0.00 H new ATOM 0 HG LEU A2012 9.342 -2.555 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A2012 7.697 -0.963 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A2012 9.296 -0.813 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A2012 7.984 -1.676 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A2012 6.972 -3.139 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A2012 7.162 -3.973 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A2012 8.020 -4.572 1.382 1.00 0.00 H new ATOM 1212 N TYR A2013 11.021 -5.293 -2.919 1.00 0.00 N ATOM 1213 CA TYR A2013 12.011 -5.581 -3.937 1.00 0.00 C ATOM 1214 C TYR A2013 11.389 -6.163 -5.202 1.00 0.00 C ATOM 1215 O TYR A2013 12.075 -6.272 -6.219 1.00 0.00 O ATOM 1216 CB TYR A2013 13.047 -6.571 -3.363 1.00 0.00 C ATOM 1217 CG TYR A2013 14.489 -6.135 -3.501 1.00 0.00 C ATOM 1218 CD1 TYR A2013 15.153 -6.231 -4.737 1.00 0.00 C ATOM 1219 CD2 TYR A2013 15.166 -5.627 -2.379 1.00 0.00 C ATOM 1220 CE1 TYR A2013 16.479 -5.781 -4.860 1.00 0.00 C ATOM 1221 CE2 TYR A2013 16.487 -5.169 -2.493 1.00 0.00 C ATOM 1222 CZ TYR A2013 17.141 -5.227 -3.742 1.00 0.00 C ATOM 1223 OH TYR A2013 18.407 -4.744 -3.854 1.00 0.00 O ATOM 0 H TYR A2013 10.893 -6.068 -2.269 1.00 0.00 H new ATOM 0 HA TYR A2013 12.489 -4.642 -4.216 1.00 0.00 H new ATOM 0 HB2 TYR A2013 12.830 -6.729 -2.307 1.00 0.00 H new ATOM 0 HB3 TYR A2013 12.924 -7.533 -3.861 1.00 0.00 H new ATOM 0 HD1 TYR A2013 14.644 -6.651 -5.592 1.00 0.00 H new ATOM 0 HD2 TYR A2013 14.666 -5.589 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A2013 16.991 -5.859 -5.808 1.00 0.00 H new ATOM 0 HE2 TYR A2013 17.001 -4.774 -1.629 1.00 0.00 H new ATOM 0 HH TYR A2013 18.704 -4.400 -2.986 1.00 0.00 H new ATOM 1233 N ASP A2014 10.121 -6.565 -5.167 1.00 0.00 N ATOM 1234 CA ASP A2014 9.416 -7.151 -6.283 1.00 0.00 C ATOM 1235 C ASP A2014 8.592 -6.106 -7.005 1.00 0.00 C ATOM 1236 O ASP A2014 8.532 -6.104 -8.231 1.00 0.00 O ATOM 1237 CB ASP A2014 8.457 -8.215 -5.728 1.00 0.00 C ATOM 1238 CG ASP A2014 7.929 -9.200 -6.764 1.00 0.00 C ATOM 1239 OD1 ASP A2014 8.397 -9.209 -7.933 1.00 0.00 O ATOM 1240 OD2 ASP A2014 7.097 -10.022 -6.332 1.00 0.00 O ATOM 0 H ASP A2014 9.545 -6.485 -4.329 1.00 0.00 H new ATOM 0 HA ASP A2014 10.137 -7.579 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A2014 8.970 -8.773 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A2014 7.610 -7.713 -5.260 1.00 0.00 H new ATOM 1245 N TYR A2015 7.983 -5.218 -6.221 1.00 0.00 N ATOM 1246 CA TYR A2015 7.095 -4.158 -6.663 1.00 0.00 C ATOM 1247 C TYR A2015 7.448 -2.867 -5.928 1.00 0.00 C ATOM 1248 O TYR A2015 6.855 -2.544 -4.899 1.00 0.00 O ATOM 1249 CB TYR A2015 5.644 -4.569 -6.404 1.00 0.00 C ATOM 1250 CG TYR A2015 5.298 -6.006 -6.717 1.00 0.00 C ATOM 1251 CD1 TYR A2015 5.470 -6.538 -8.008 1.00 0.00 C ATOM 1252 CD2 TYR A2015 4.847 -6.830 -5.675 1.00 0.00 C ATOM 1253 CE1 TYR A2015 5.107 -7.868 -8.275 1.00 0.00 C ATOM 1254 CE2 TYR A2015 4.460 -8.144 -5.940 1.00 0.00 C ATOM 1255 CZ TYR A2015 4.546 -8.662 -7.250 1.00 0.00 C ATOM 1256 OH TYR A2015 4.102 -9.923 -7.501 1.00 0.00 O ATOM 0 H TYR A2015 8.106 -5.224 -5.208 1.00 0.00 H new ATOM 0 HA TYR A2015 7.213 -3.986 -7.733 1.00 0.00 H new ATOM 0 HB2 TYR A2015 5.415 -4.381 -5.355 1.00 0.00 H new ATOM 0 HB3 TYR A2015 4.993 -3.923 -6.993 1.00 0.00 H new ATOM 0 HD1 TYR A2015 5.882 -5.923 -8.795 1.00 0.00 H new ATOM 0 HD2 TYR A2015 4.799 -6.447 -4.666 1.00 0.00 H new ATOM 0 HE1 TYR A2015 5.256 -8.283 -9.261 1.00 0.00 H new ATOM 0 HE2 TYR A2015 4.093 -8.768 -5.139 1.00 0.00 H new ATOM 0 HH TYR A2015 3.335 -10.121 -6.924 1.00 0.00 H new ATOM 1266 N PRO A2016 8.417 -2.106 -6.435 1.00 0.00 N ATOM 1267 CA PRO A2016 8.819 -0.844 -5.834 1.00 0.00 C ATOM 1268 C PRO A2016 7.755 0.256 -5.997 1.00 0.00 C ATOM 1269 O PRO A2016 8.019 1.364 -5.542 1.00 0.00 O ATOM 1270 CB PRO A2016 10.111 -0.473 -6.561 1.00 0.00 C ATOM 1271 CG PRO A2016 9.940 -1.120 -7.932 1.00 0.00 C ATOM 1272 CD PRO A2016 9.193 -2.404 -7.626 1.00 0.00 C ATOM 0 HA PRO A2016 8.951 -0.941 -4.756 1.00 0.00 H new ATOM 0 HB2 PRO A2016 10.233 0.607 -6.638 1.00 0.00 H new ATOM 0 HB3 PRO A2016 10.989 -0.857 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A2016 9.377 -0.480 -8.611 1.00 0.00 H new ATOM 0 HG3 PRO A2016 10.902 -1.318 -8.405 1.00 0.00 H new ATOM 0 HD2 PRO A2016 8.549 -2.694 -8.456 1.00 0.00 H new ATOM 0 HD3 PRO A2016 9.882 -3.231 -7.453 1.00 0.00 H new ATOM 1280 N THR A2017 6.607 0.018 -6.642 1.00 0.00 N ATOM 1281 CA THR A2017 5.562 1.012 -6.838 1.00 0.00 C ATOM 1282 C THR A2017 4.233 0.454 -6.338 1.00 0.00 C ATOM 1283 O THR A2017 4.019 -0.757 -6.279 1.00 0.00 O ATOM 1284 CB THR A2017 5.509 1.477 -8.302 1.00 0.00 C ATOM 1285 OG1 THR A2017 4.983 0.519 -9.192 1.00 0.00 O ATOM 1286 CG2 THR A2017 6.860 1.803 -8.905 1.00 0.00 C ATOM 0 H THR A2017 6.381 -0.890 -7.047 1.00 0.00 H new ATOM 0 HA THR A2017 5.786 1.904 -6.252 1.00 0.00 H new ATOM 0 HB THR A2017 4.874 2.358 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A2017 5.671 -0.147 -9.400 1.00 0.00 H new ATOM 0 HG21 THR A2017 6.729 2.122 -9.939 1.00 0.00 H new ATOM 0 HG22 THR A2017 7.329 2.604 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A2017 7.495 0.917 -8.876 1.00 0.00 H new ATOM 1294 N LEU A2018 3.308 1.336 -5.980 1.00 0.00 N ATOM 1295 CA LEU A2018 1.987 0.987 -5.458 1.00 0.00 C ATOM 1296 C LEU A2018 1.135 0.277 -6.483 1.00 0.00 C ATOM 1297 O LEU A2018 0.320 -0.562 -6.101 1.00 0.00 O ATOM 1298 CB LEU A2018 1.220 2.269 -5.091 1.00 0.00 C ATOM 1299 CG LEU A2018 1.997 3.146 -4.115 1.00 0.00 C ATOM 1300 CD1 LEU A2018 1.475 4.563 -4.103 1.00 0.00 C ATOM 1301 CD2 LEU A2018 1.962 2.541 -2.723 1.00 0.00 C ATOM 0 H LEU A2018 3.458 2.343 -6.046 1.00 0.00 H new ATOM 0 HA LEU A2018 2.159 0.338 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A2018 1.009 2.836 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A2018 0.259 2.002 -4.651 1.00 0.00 H new ATOM 0 HG LEU A2018 3.033 3.188 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A2018 2.053 5.158 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A2018 1.568 4.993 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A2018 0.427 4.562 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A2018 2.520 3.177 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A2018 0.928 2.463 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A2018 2.412 1.549 -2.746 1.00 0.00 H new ATOM 1313 N LEU A2019 1.289 0.629 -7.760 1.00 0.00 N ATOM 1314 CA LEU A2019 0.513 0.034 -8.838 1.00 0.00 C ATOM 1315 C LEU A2019 0.646 -1.482 -8.817 1.00 0.00 C ATOM 1316 O LEU A2019 -0.363 -2.183 -8.788 1.00 0.00 O ATOM 1317 CB LEU A2019 0.942 0.628 -10.190 1.00 0.00 C ATOM 1318 CG LEU A2019 0.409 2.047 -10.407 1.00 0.00 C ATOM 1319 CD1 LEU A2019 1.196 2.730 -11.527 1.00 0.00 C ATOM 1320 CD2 LEU A2019 -1.089 2.129 -10.704 1.00 0.00 C ATOM 0 H LEU A2019 1.956 1.335 -8.072 1.00 0.00 H new ATOM 0 HA LEU A2019 -0.541 0.270 -8.692 1.00 0.00 H new ATOM 0 HB2 LEU A2019 2.030 0.640 -10.248 1.00 0.00 H new ATOM 0 HB3 LEU A2019 0.587 -0.016 -10.994 1.00 0.00 H new ATOM 0 HG LEU A2019 0.551 2.563 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A2019 0.813 3.739 -11.678 1.00 0.00 H new ATOM 0 HD12 LEU A2019 2.250 2.779 -11.254 1.00 0.00 H new ATOM 0 HD13 LEU A2019 1.087 2.159 -12.449 1.00 0.00 H new ATOM 0 HD21 LEU A2019 -1.376 3.171 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A2019 -1.311 1.567 -11.611 1.00 0.00 H new ATOM 0 HD23 LEU A2019 -1.649 1.707 -9.870 1.00 0.00 H new ATOM 1332 N GLU A2020 1.880 -1.977 -8.844 1.00 0.00 N ATOM 1333 CA GLU A2020 2.190 -3.401 -8.825 1.00 0.00 C ATOM 1334 C GLU A2020 2.002 -3.996 -7.424 1.00 0.00 C ATOM 1335 O GLU A2020 1.476 -5.101 -7.293 1.00 0.00 O ATOM 1336 CB GLU A2020 3.591 -3.642 -9.424 1.00 0.00 C ATOM 1337 CG GLU A2020 4.501 -2.418 -9.333 1.00 0.00 C ATOM 1338 CD GLU A2020 5.952 -2.585 -9.740 1.00 0.00 C ATOM 1339 OE1 GLU A2020 6.341 -3.640 -10.283 1.00 0.00 O ATOM 1340 OE2 GLU A2020 6.681 -1.590 -9.520 1.00 0.00 O ATOM 0 H GLU A2020 2.710 -1.385 -8.881 1.00 0.00 H new ATOM 0 HA GLU A2020 1.482 -3.936 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A2020 4.062 -4.477 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A2020 3.487 -3.933 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A2020 4.068 -1.632 -9.951 1.00 0.00 H new ATOM 0 HG3 GLU A2020 4.481 -2.061 -8.303 1.00 0.00 H new ATOM 1347 N LEU A2021 2.386 -3.265 -6.366 1.00 0.00 N ATOM 1348 CA LEU A2021 2.244 -3.737 -4.986 1.00 0.00 C ATOM 1349 C LEU A2021 0.781 -4.080 -4.702 1.00 0.00 C ATOM 1350 O LEU A2021 0.489 -5.179 -4.234 1.00 0.00 O ATOM 1351 CB LEU A2021 2.764 -2.698 -3.987 1.00 0.00 C ATOM 1352 CG LEU A2021 3.163 -3.330 -2.637 1.00 0.00 C ATOM 1353 CD1 LEU A2021 4.658 -3.641 -2.620 1.00 0.00 C ATOM 1354 CD2 LEU A2021 2.919 -2.350 -1.496 1.00 0.00 C ATOM 0 H LEU A2021 2.801 -2.336 -6.445 1.00 0.00 H new ATOM 0 HA LEU A2021 2.847 -4.637 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A2021 3.626 -2.186 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A2021 1.996 -1.943 -3.819 1.00 0.00 H new ATOM 0 HG LEU A2021 2.566 -4.234 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A2021 4.926 -4.086 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A2021 4.894 -4.339 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A2021 5.223 -2.720 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A2021 3.206 -2.812 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A2021 3.514 -1.451 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A2021 1.862 -2.085 -1.464 1.00 0.00 H new ATOM 1366 N SER A2022 -0.133 -3.141 -4.973 1.00 0.00 N ATOM 1367 CA SER A2022 -1.558 -3.352 -4.758 1.00 0.00 C ATOM 1368 C SER A2022 -2.068 -4.484 -5.647 1.00 0.00 C ATOM 1369 O SER A2022 -2.959 -5.219 -5.227 1.00 0.00 O ATOM 1370 CB SER A2022 -2.373 -2.070 -4.988 1.00 0.00 C ATOM 1371 OG SER A2022 -2.158 -1.467 -6.250 1.00 0.00 O ATOM 0 H SER A2022 0.099 -2.220 -5.345 1.00 0.00 H new ATOM 0 HA SER A2022 -1.693 -3.634 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A2022 -3.433 -2.303 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A2022 -2.127 -1.351 -4.207 1.00 0.00 H new ATOM 0 HG SER A2022 -1.344 -0.923 -6.218 1.00 0.00 H new ATOM 1377 N GLY A2023 -1.501 -4.616 -6.849 1.00 0.00 N ATOM 1378 CA GLY A2023 -1.844 -5.620 -7.839 1.00 0.00 C ATOM 1379 C GLY A2023 -1.687 -7.011 -7.255 1.00 0.00 C ATOM 1380 O GLY A2023 -2.577 -7.852 -7.386 1.00 0.00 O ATOM 0 H GLY A2023 -0.757 -3.994 -7.165 1.00 0.00 H new ATOM 0 HA2 GLY A2023 -2.870 -5.473 -8.175 1.00 0.00 H new ATOM 0 HA3 GLY A2023 -1.203 -5.511 -8.714 1.00 0.00 H new ATOM 1384 N TYR A2024 -0.569 -7.260 -6.579 1.00 0.00 N ATOM 1385 CA TYR A2024 -0.340 -8.556 -5.977 1.00 0.00 C ATOM 1386 C TYR A2024 -1.247 -8.729 -4.756 1.00 0.00 C ATOM 1387 O TYR A2024 -2.029 -9.674 -4.723 1.00 0.00 O ATOM 1388 CB TYR A2024 1.140 -8.730 -5.648 1.00 0.00 C ATOM 1389 CG TYR A2024 1.491 -10.109 -5.121 1.00 0.00 C ATOM 1390 CD1 TYR A2024 1.138 -11.267 -5.842 1.00 0.00 C ATOM 1391 CD2 TYR A2024 2.164 -10.232 -3.895 1.00 0.00 C ATOM 1392 CE1 TYR A2024 1.439 -12.542 -5.332 1.00 0.00 C ATOM 1393 CE2 TYR A2024 2.501 -11.501 -3.393 1.00 0.00 C ATOM 1394 CZ TYR A2024 2.127 -12.660 -4.105 1.00 0.00 C ATOM 1395 OH TYR A2024 2.477 -13.872 -3.602 1.00 0.00 O ATOM 0 H TYR A2024 0.182 -6.584 -6.439 1.00 0.00 H new ATOM 0 HA TYR A2024 -0.599 -9.346 -6.682 1.00 0.00 H new ATOM 0 HB2 TYR A2024 1.728 -8.533 -6.545 1.00 0.00 H new ATOM 0 HB3 TYR A2024 1.428 -7.984 -4.908 1.00 0.00 H new ATOM 0 HD1 TYR A2024 0.633 -11.175 -6.792 1.00 0.00 H new ATOM 0 HD2 TYR A2024 2.424 -9.346 -3.334 1.00 0.00 H new ATOM 0 HE1 TYR A2024 1.145 -13.427 -5.876 1.00 0.00 H new ATOM 0 HE2 TYR A2024 3.045 -11.589 -2.464 1.00 0.00 H new ATOM 0 HH TYR A2024 2.944 -13.750 -2.749 1.00 0.00 H new ATOM 1405 N ILE A2025 -1.220 -7.799 -3.792 1.00 0.00 N ATOM 1406 CA ILE A2025 -2.011 -7.846 -2.555 1.00 0.00 C ATOM 1407 C ILE A2025 -3.482 -8.113 -2.835 1.00 0.00 C ATOM 1408 O ILE A2025 -4.052 -9.001 -2.194 1.00 0.00 O ATOM 1409 CB ILE A2025 -1.863 -6.516 -1.769 1.00 0.00 C ATOM 1410 CG1 ILE A2025 -0.406 -6.314 -1.299 1.00 0.00 C ATOM 1411 CG2 ILE A2025 -2.827 -6.441 -0.564 1.00 0.00 C ATOM 1412 CD1 ILE A2025 -0.168 -4.969 -0.605 1.00 0.00 C ATOM 0 H ILE A2025 -0.630 -6.969 -3.853 1.00 0.00 H new ATOM 0 HA ILE A2025 -1.626 -8.670 -1.955 1.00 0.00 H new ATOM 0 HB ILE A2025 -2.129 -5.712 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A2025 -0.139 -7.119 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A2025 0.259 -6.393 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A2025 -2.687 -5.493 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A2025 -3.856 -6.514 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A2025 -2.619 -7.264 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A2025 0.876 -4.896 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A2025 -0.404 -4.158 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A2025 -0.807 -4.895 0.275 1.00 0.00 H new ATOM 1424 N ALA A2026 -4.087 -7.366 -3.755 1.00 0.00 N ATOM 1425 CA ALA A2026 -5.491 -7.507 -4.095 1.00 0.00 C ATOM 1426 C ALA A2026 -5.842 -8.944 -4.455 1.00 0.00 C ATOM 1427 O ALA A2026 -6.932 -9.389 -4.115 1.00 0.00 O ATOM 1428 CB ALA A2026 -5.851 -6.546 -5.227 1.00 0.00 C ATOM 0 H ALA A2026 -3.608 -6.640 -4.288 1.00 0.00 H new ATOM 0 HA ALA A2026 -6.083 -7.250 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A2026 -6.906 -6.657 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A2026 -5.660 -5.521 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A2026 -5.245 -6.773 -6.104 1.00 0.00 H new ATOM 1434 N GLN A2027 -4.953 -9.670 -5.130 1.00 0.00 N ATOM 1435 CA GLN A2027 -5.185 -11.053 -5.515 1.00 0.00 C ATOM 1436 C GLN A2027 -5.084 -11.962 -4.294 1.00 0.00 C ATOM 1437 O GLN A2027 -5.861 -12.909 -4.182 1.00 0.00 O ATOM 1438 CB GLN A2027 -4.154 -11.510 -6.555 1.00 0.00 C ATOM 1439 CG GLN A2027 -4.221 -10.770 -7.891 1.00 0.00 C ATOM 1440 CD GLN A2027 -3.026 -11.162 -8.747 1.00 0.00 C ATOM 1441 OE1 GLN A2027 -2.875 -12.319 -9.138 1.00 0.00 O ATOM 1442 NE2 GLN A2027 -2.140 -10.225 -9.032 1.00 0.00 N ATOM 0 H GLN A2027 -4.046 -9.309 -5.425 1.00 0.00 H new ATOM 0 HA GLN A2027 -6.184 -11.117 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN A2027 -3.156 -11.385 -6.136 1.00 0.00 H new ATOM 0 HB3 GLN A2027 -4.291 -12.576 -6.738 1.00 0.00 H new ATOM 0 HG2 GLN A2027 -5.149 -11.015 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A2027 -4.224 -9.693 -7.723 1.00 0.00 H new ATOM 0 HE21 GLN A2027 -2.282 -9.271 -8.699 1.00 0.00 H new ATOM 0 HE22 GLN A2027 -1.314 -10.455 -9.585 1.00 0.00 H new ATOM 1451 N ILE A2028 -4.116 -11.722 -3.399 1.00 0.00 N ATOM 1452 CA ILE A2028 -3.915 -12.539 -2.201 1.00 0.00 C ATOM 1453 C ILE A2028 -5.183 -12.491 -1.366 1.00 0.00 C ATOM 1454 O ILE A2028 -5.764 -13.536 -1.095 1.00 0.00 O ATOM 1455 CB ILE A2028 -2.730 -12.036 -1.339 1.00 0.00 C ATOM 1456 CG1 ILE A2028 -1.451 -11.809 -2.150 1.00 0.00 C ATOM 1457 CG2 ILE A2028 -2.432 -13.009 -0.187 1.00 0.00 C ATOM 1458 CD1 ILE A2028 -0.357 -11.106 -1.340 1.00 0.00 C ATOM 0 H ILE A2028 -3.451 -10.954 -3.488 1.00 0.00 H new ATOM 0 HA ILE A2028 -3.685 -13.555 -2.521 1.00 0.00 H new ATOM 0 HB ILE A2028 -3.045 -11.072 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A2028 -1.075 -12.769 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A2028 -1.685 -11.212 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A2028 -1.596 -12.631 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A2028 -3.312 -13.100 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A2028 -2.176 -13.987 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A2028 0.527 -10.970 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A2028 -0.719 -10.133 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A2028 -0.099 -11.714 -0.472 1.00 0.00 H new ATOM 1470 N LEU A2029 -5.664 -11.305 -0.991 1.00 0.00 N ATOM 1471 CA LEU A2029 -6.873 -11.211 -0.180 1.00 0.00 C ATOM 1472 C LEU A2029 -8.077 -11.742 -0.939 1.00 0.00 C ATOM 1473 O LEU A2029 -8.977 -12.308 -0.322 1.00 0.00 O ATOM 1474 CB LEU A2029 -7.070 -9.818 0.405 1.00 0.00 C ATOM 1475 CG LEU A2029 -7.105 -8.666 -0.603 1.00 0.00 C ATOM 1476 CD1 LEU A2029 -8.494 -8.470 -1.208 1.00 0.00 C ATOM 1477 CD2 LEU A2029 -6.641 -7.409 0.113 1.00 0.00 C ATOM 0 H LEU A2029 -5.240 -10.409 -1.233 1.00 0.00 H new ATOM 0 HA LEU A2029 -6.753 -11.858 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A2029 -8.003 -9.811 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A2029 -6.267 -9.627 1.117 1.00 0.00 H new ATOM 0 HG LEU A2029 -6.444 -8.897 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A2029 -8.469 -7.642 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A2029 -8.798 -9.381 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A2029 -9.208 -8.247 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A2029 -6.655 -6.569 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A2029 -7.308 -7.200 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A2029 -5.627 -7.555 0.485 1.00 0.00 H new ATOM 1489 N SER A2030 -8.063 -11.642 -2.269 1.00 0.00 N ATOM 1490 CA SER A2030 -9.175 -12.156 -3.067 1.00 0.00 C ATOM 1491 C SER A2030 -9.226 -13.690 -2.958 1.00 0.00 C ATOM 1492 O SER A2030 -10.287 -14.286 -3.115 1.00 0.00 O ATOM 1493 CB SER A2030 -9.073 -11.665 -4.516 1.00 0.00 C ATOM 1494 OG SER A2030 -10.297 -11.770 -5.202 1.00 0.00 O ATOM 0 H SER A2030 -7.308 -11.218 -2.808 1.00 0.00 H new ATOM 0 HA SER A2030 -10.117 -11.770 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A2030 -8.743 -10.626 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A2030 -8.314 -12.244 -5.041 1.00 0.00 H new ATOM 0 HG SER A2030 -10.186 -11.445 -6.120 1.00 0.00 H new ATOM 1500 N SER A2031 -8.093 -14.330 -2.653 1.00 0.00 N ATOM 1501 CA SER A2031 -7.943 -15.773 -2.497 1.00 0.00 C ATOM 1502 C SER A2031 -8.087 -16.201 -1.036 1.00 0.00 C ATOM 1503 O SER A2031 -8.279 -17.390 -0.770 1.00 0.00 O ATOM 1504 CB SER A2031 -6.555 -16.195 -3.014 1.00 0.00 C ATOM 1505 OG SER A2031 -6.620 -16.886 -4.247 1.00 0.00 O ATOM 0 H SER A2031 -7.217 -13.829 -2.502 1.00 0.00 H new ATOM 0 HA SER A2031 -8.731 -16.260 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A2031 -5.930 -15.309 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A2031 -6.072 -16.830 -2.271 1.00 0.00 H new ATOM 0 HG SER A2031 -5.715 -17.130 -4.533 1.00 0.00 H new