USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 530 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 Single : A 981 THR OG1 : rot 71:sc= 0.243 USER MOD Single : A 987 MET CE :methyl -173:sc= -0.362 (180deg=-0.528) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 699 SER OG : rot -9:sc= 0.0757 USER MOD Single : B 701 MET CE :methyl 156:sc= -0.0888 (180deg=-0.765) USER MOD Single : B 716 LYS NZ :NH3+ 130:sc= -0.195! (180deg=-1.31!) USER MOD Single : B 720 THR OG1 : rot 77:sc= 0.433 USER MOD Single : B 722 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 966 64.294 -16.523 3.855 1.00 1.00 N ATOM 137 CA ILE A 966 63.761 -15.448 3.019 1.00 1.00 C ATOM 138 C ILE A 966 63.389 -14.176 3.790 1.00 1.00 C ATOM 139 O ILE A 966 63.348 -13.096 3.199 1.00 1.00 O ATOM 140 CB ILE A 966 62.536 -15.958 2.257 1.00 1.00 C ATOM 141 CG1 ILE A 966 61.464 -16.426 3.247 1.00 1.00 C ATOM 142 CG2 ILE A 966 62.942 -17.129 1.362 1.00 1.00 C ATOM 143 CD1 ILE A 966 60.184 -16.770 2.483 1.00 1.00 C ATOM 0 HA ILE A 966 64.563 -15.166 2.337 1.00 1.00 H new ATOM 0 HB ILE A 966 62.135 -15.150 1.645 1.00 1.00 H new ATOM 0 HG12 ILE A 966 61.817 -17.298 3.798 1.00 1.00 H new ATOM 0 HG13 ILE A 966 61.264 -15.645 3.980 1.00 1.00 H new ATOM 0 HG21 ILE A 966 62.069 -17.492 0.819 1.00 1.00 H new ATOM 0 HG22 ILE A 966 63.699 -16.798 0.651 1.00 1.00 H new ATOM 0 HG23 ILE A 966 63.347 -17.933 1.976 1.00 1.00 H new ATOM 0 HD11 ILE A 966 59.420 -17.103 3.185 1.00 1.00 H new ATOM 0 HD12 ILE A 966 59.829 -15.887 1.952 1.00 1.00 H new ATOM 0 HD13 ILE A 966 60.390 -17.565 1.767 1.00 1.00 H new ATOM 155 N TRP A 967 63.078 -14.287 5.082 1.00 1.00 N ATOM 156 CA TRP A 967 62.674 -13.095 5.834 1.00 1.00 C ATOM 157 C TRP A 967 63.793 -12.059 5.875 1.00 1.00 C ATOM 158 O TRP A 967 63.561 -10.876 5.636 1.00 1.00 O ATOM 159 CB TRP A 967 62.300 -13.448 7.276 1.00 1.00 C ATOM 160 CG TRP A 967 62.466 -14.911 7.523 1.00 1.00 C ATOM 161 CD1 TRP A 967 63.489 -15.454 8.221 1.00 1.00 C ATOM 162 CD2 TRP A 967 61.614 -16.018 7.113 1.00 1.00 C ATOM 163 NE1 TRP A 967 63.324 -16.823 8.264 1.00 1.00 N ATOM 164 CE2 TRP A 967 62.183 -17.223 7.593 1.00 1.00 C ATOM 165 CE3 TRP A 967 60.417 -16.096 6.377 1.00 1.00 C ATOM 166 CZ2 TRP A 967 61.584 -18.461 7.351 1.00 1.00 C ATOM 167 CZ3 TRP A 967 59.813 -17.340 6.131 1.00 1.00 C ATOM 168 CH2 TRP A 967 60.395 -18.520 6.617 1.00 1.00 C ATOM 0 H TRP A 967 63.096 -15.156 5.616 1.00 1.00 H new ATOM 0 HA TRP A 967 61.807 -12.682 5.318 1.00 1.00 H new ATOM 0 HB2 TRP A 967 62.926 -12.884 7.967 1.00 1.00 H new ATOM 0 HB3 TRP A 967 61.268 -13.156 7.471 1.00 1.00 H new ATOM 0 HD1 TRP A 967 64.303 -14.905 8.672 1.00 1.00 H new ATOM 0 HE1 TRP A 967 63.965 -17.462 8.733 1.00 1.00 H new ATOM 0 HE3 TRP A 967 59.960 -15.194 5.999 1.00 1.00 H new ATOM 0 HZ2 TRP A 967 62.036 -19.367 7.728 1.00 1.00 H new ATOM 0 HZ3 TRP A 967 58.895 -17.388 5.564 1.00 1.00 H new ATOM 0 HH2 TRP A 967 59.925 -19.473 6.425 1.00 1.00 H new ATOM 179 N TRP A 968 64.992 -12.492 6.240 1.00 1.00 N ATOM 180 CA TRP A 968 66.117 -11.572 6.375 1.00 1.00 C ATOM 181 C TRP A 968 66.381 -10.825 5.071 1.00 1.00 C ATOM 182 O TRP A 968 66.667 -9.628 5.100 1.00 1.00 O ATOM 183 CB TRP A 968 67.379 -12.335 6.775 1.00 1.00 C ATOM 184 CG TRP A 968 67.142 -13.046 8.067 1.00 1.00 C ATOM 185 CD1 TRP A 968 67.135 -14.387 8.207 1.00 1.00 C ATOM 186 CD2 TRP A 968 66.851 -12.493 9.385 1.00 1.00 C ATOM 187 NE1 TRP A 968 66.877 -14.702 9.528 1.00 1.00 N ATOM 188 CE2 TRP A 968 66.689 -13.568 10.296 1.00 1.00 C ATOM 189 CE3 TRP A 968 66.718 -11.183 9.880 1.00 1.00 C ATOM 190 CZ2 TRP A 968 66.406 -13.349 11.645 1.00 1.00 C ATOM 191 CZ3 TRP A 968 66.432 -10.961 11.238 1.00 1.00 C ATOM 192 CH2 TRP A 968 66.277 -12.042 12.119 1.00 1.00 C ATOM 0 H TRP A 968 65.212 -13.466 6.447 1.00 1.00 H new ATOM 0 HA TRP A 968 65.859 -10.849 7.149 1.00 1.00 H new ATOM 0 HB2 TRP A 968 67.646 -13.051 5.997 1.00 1.00 H new ATOM 0 HB3 TRP A 968 68.217 -11.646 6.875 1.00 1.00 H new ATOM 0 HD1 TRP A 968 67.304 -15.101 7.414 1.00 1.00 H new ATOM 0 HE1 TRP A 968 66.831 -15.654 9.891 1.00 1.00 H new ATOM 0 HE3 TRP A 968 66.836 -10.342 9.212 1.00 1.00 H new ATOM 0 HZ2 TRP A 968 66.288 -14.185 12.318 1.00 1.00 H new ATOM 0 HZ3 TRP A 968 66.331 -9.951 11.606 1.00 1.00 H new ATOM 0 HH2 TRP A 968 66.058 -11.863 13.161 1.00 1.00 H new ATOM 203 N VAL A 969 66.262 -11.495 3.930 1.00 1.00 N ATOM 204 CA VAL A 969 66.475 -10.809 2.660 1.00 1.00 C ATOM 205 C VAL A 969 65.405 -9.737 2.487 1.00 1.00 C ATOM 206 O VAL A 969 65.687 -8.601 2.102 1.00 1.00 O ATOM 207 CB VAL A 969 66.405 -11.808 1.503 1.00 1.00 C ATOM 208 CG1 VAL A 969 66.427 -11.054 0.171 1.00 1.00 C ATOM 209 CG2 VAL A 969 67.608 -12.752 1.575 1.00 1.00 C ATOM 0 H VAL A 969 66.026 -12.485 3.856 1.00 1.00 H new ATOM 0 HA VAL A 969 67.462 -10.346 2.659 1.00 1.00 H new ATOM 0 HB VAL A 969 65.483 -12.384 1.576 1.00 1.00 H new ATOM 0 HG11 VAL A 969 66.377 -11.767 -0.652 1.00 1.00 H new ATOM 0 HG12 VAL A 969 65.571 -10.381 0.120 1.00 1.00 H new ATOM 0 HG13 VAL A 969 67.348 -10.476 0.095 1.00 1.00 H new ATOM 0 HG21 VAL A 969 67.561 -13.465 0.752 1.00 1.00 H new ATOM 0 HG22 VAL A 969 68.529 -12.174 1.502 1.00 1.00 H new ATOM 0 HG23 VAL A 969 67.592 -13.290 2.523 1.00 1.00 H new ATOM 219 N LEU A 970 64.170 -10.131 2.780 1.00 1.00 N ATOM 220 CA LEU A 970 63.031 -9.227 2.666 1.00 1.00 C ATOM 221 C LEU A 970 63.181 -8.048 3.625 1.00 1.00 C ATOM 222 O LEU A 970 62.893 -6.907 3.265 1.00 1.00 O ATOM 223 CB LEU A 970 61.734 -9.982 2.975 1.00 1.00 C ATOM 224 CG LEU A 970 61.446 -10.989 1.856 1.00 1.00 C ATOM 225 CD1 LEU A 970 60.285 -11.896 2.270 1.00 1.00 C ATOM 226 CD2 LEU A 970 61.081 -10.259 0.557 1.00 1.00 C ATOM 0 H LEU A 970 63.932 -11.070 3.098 1.00 1.00 H new ATOM 0 HA LEU A 970 62.994 -8.844 1.646 1.00 1.00 H new ATOM 0 HB2 LEU A 970 61.822 -10.500 3.930 1.00 1.00 H new ATOM 0 HB3 LEU A 970 60.906 -9.280 3.068 1.00 1.00 H new ATOM 0 HG LEU A 970 62.341 -11.587 1.686 1.00 1.00 H new ATOM 0 HD11 LEU A 970 60.081 -12.612 1.474 1.00 1.00 H new ATOM 0 HD12 LEU A 970 60.549 -12.432 3.181 1.00 1.00 H new ATOM 0 HD13 LEU A 970 59.397 -11.291 2.450 1.00 1.00 H new ATOM 0 HD21 LEU A 970 60.880 -10.989 -0.227 1.00 1.00 H new ATOM 0 HD22 LEU A 970 60.193 -9.648 0.720 1.00 1.00 H new ATOM 0 HD23 LEU A 970 61.910 -9.620 0.253 1.00 1.00 H new ATOM 238 N VAL A 971 63.624 -8.326 4.848 1.00 1.00 N ATOM 239 CA VAL A 971 63.799 -7.279 5.850 1.00 1.00 C ATOM 240 C VAL A 971 64.868 -6.282 5.413 1.00 1.00 C ATOM 241 O VAL A 971 64.691 -5.070 5.542 1.00 1.00 O ATOM 242 CB VAL A 971 64.191 -7.899 7.195 1.00 1.00 C ATOM 243 CG1 VAL A 971 64.530 -6.788 8.194 1.00 1.00 C ATOM 244 CG2 VAL A 971 63.023 -8.731 7.729 1.00 1.00 C ATOM 0 H VAL A 971 63.867 -9.263 5.168 1.00 1.00 H new ATOM 0 HA VAL A 971 62.853 -6.749 5.957 1.00 1.00 H new ATOM 0 HB VAL A 971 65.063 -8.539 7.061 1.00 1.00 H new ATOM 0 HG11 VAL A 971 64.809 -7.231 9.150 1.00 1.00 H new ATOM 0 HG12 VAL A 971 65.362 -6.197 7.812 1.00 1.00 H new ATOM 0 HG13 VAL A 971 63.661 -6.145 8.332 1.00 1.00 H new ATOM 0 HG21 VAL A 971 63.299 -9.173 8.686 1.00 1.00 H new ATOM 0 HG22 VAL A 971 62.151 -8.090 7.863 1.00 1.00 H new ATOM 0 HG23 VAL A 971 62.785 -9.523 7.018 1.00 1.00 H new ATOM 254 N GLY A 972 65.986 -6.798 4.908 1.00 1.00 N ATOM 255 CA GLY A 972 67.078 -5.931 4.472 1.00 1.00 C ATOM 256 C GLY A 972 66.625 -5.001 3.355 1.00 1.00 C ATOM 257 O GLY A 972 67.011 -3.836 3.309 1.00 1.00 O ATOM 0 H GLY A 972 66.159 -7.796 4.792 1.00 1.00 H new ATOM 0 HA2 GLY A 972 67.439 -5.343 5.316 1.00 1.00 H new ATOM 0 HA3 GLY A 972 67.914 -6.539 4.127 1.00 1.00 H new ATOM 261 N VAL A 973 65.808 -5.525 2.454 1.00 1.00 N ATOM 262 CA VAL A 973 65.312 -4.734 1.336 1.00 1.00 C ATOM 263 C VAL A 973 64.483 -3.556 1.840 1.00 1.00 C ATOM 264 O VAL A 973 64.641 -2.431 1.362 1.00 1.00 O ATOM 265 CB VAL A 973 64.457 -5.607 0.418 1.00 1.00 C ATOM 266 CG1 VAL A 973 63.771 -4.731 -0.631 1.00 1.00 C ATOM 267 CG2 VAL A 973 65.350 -6.633 -0.280 1.00 1.00 C ATOM 0 H VAL A 973 65.475 -6.489 2.474 1.00 1.00 H new ATOM 0 HA VAL A 973 66.166 -4.350 0.779 1.00 1.00 H new ATOM 0 HB VAL A 973 63.700 -6.122 1.009 1.00 1.00 H new ATOM 0 HG11 VAL A 973 63.162 -5.355 -1.285 1.00 1.00 H new ATOM 0 HG12 VAL A 973 63.136 -3.998 -0.134 1.00 1.00 H new ATOM 0 HG13 VAL A 973 64.526 -4.214 -1.223 1.00 1.00 H new ATOM 0 HG21 VAL A 973 64.743 -7.257 -0.936 1.00 1.00 H new ATOM 0 HG22 VAL A 973 66.106 -6.115 -0.870 1.00 1.00 H new ATOM 0 HG23 VAL A 973 65.838 -7.259 0.467 1.00 1.00 H new ATOM 277 N LEU A 974 63.596 -3.814 2.800 1.00 1.00 N ATOM 278 CA LEU A 974 62.748 -2.760 3.348 1.00 1.00 C ATOM 279 C LEU A 974 63.576 -1.681 4.044 1.00 1.00 C ATOM 280 O LEU A 974 63.314 -0.490 3.891 1.00 1.00 O ATOM 281 CB LEU A 974 61.752 -3.359 4.345 1.00 1.00 C ATOM 282 CG LEU A 974 60.726 -4.224 3.600 1.00 1.00 C ATOM 283 CD1 LEU A 974 59.873 -4.989 4.614 1.00 1.00 C ATOM 284 CD2 LEU A 974 59.816 -3.346 2.731 1.00 1.00 C ATOM 0 H LEU A 974 63.447 -4.736 3.211 1.00 1.00 H new ATOM 0 HA LEU A 974 62.212 -2.298 2.519 1.00 1.00 H new ATOM 0 HB2 LEU A 974 62.281 -3.961 5.084 1.00 1.00 H new ATOM 0 HB3 LEU A 974 61.244 -2.562 4.888 1.00 1.00 H new ATOM 0 HG LEU A 974 61.258 -4.926 2.958 1.00 1.00 H new ATOM 0 HD11 LEU A 974 59.144 -5.604 4.086 1.00 1.00 H new ATOM 0 HD12 LEU A 974 60.515 -5.628 5.221 1.00 1.00 H new ATOM 0 HD13 LEU A 974 59.352 -4.281 5.259 1.00 1.00 H new ATOM 0 HD21 LEU A 974 59.094 -3.975 2.209 1.00 1.00 H new ATOM 0 HD22 LEU A 974 59.286 -2.633 3.363 1.00 1.00 H new ATOM 0 HD23 LEU A 974 60.420 -2.806 2.002 1.00 1.00 H new ATOM 296 N GLY A 975 64.576 -2.109 4.809 1.00 1.00 N ATOM 297 CA GLY A 975 65.429 -1.160 5.523 1.00 1.00 C ATOM 298 C GLY A 975 66.237 -0.307 4.548 1.00 1.00 C ATOM 299 O GLY A 975 66.346 0.907 4.717 1.00 1.00 O ATOM 0 H GLY A 975 64.815 -3.091 4.950 1.00 1.00 H new ATOM 0 HA2 GLY A 975 64.815 -0.516 6.152 1.00 1.00 H new ATOM 0 HA3 GLY A 975 66.105 -1.701 6.185 1.00 1.00 H new ATOM 303 N GLY A 976 66.790 -0.944 3.523 1.00 1.00 N ATOM 304 CA GLY A 976 67.567 -0.217 2.528 1.00 1.00 C ATOM 305 C GLY A 976 66.693 0.812 1.802 1.00 1.00 C ATOM 306 O GLY A 976 67.109 1.949 1.583 1.00 1.00 O ATOM 0 H GLY A 976 66.717 -1.948 3.360 1.00 1.00 H new ATOM 0 HA2 GLY A 976 68.405 0.286 3.011 1.00 1.00 H new ATOM 0 HA3 GLY A 976 67.988 -0.917 1.806 1.00 1.00 H new ATOM 310 N LEU A 977 65.478 0.409 1.443 1.00 1.00 N ATOM 311 CA LEU A 977 64.545 1.313 0.756 1.00 1.00 C ATOM 312 C LEU A 977 64.173 2.500 1.651 1.00 1.00 C ATOM 313 O LEU A 977 64.101 3.638 1.182 1.00 1.00 O ATOM 314 CB LEU A 977 63.282 0.540 0.350 1.00 1.00 C ATOM 315 CG LEU A 977 62.294 1.477 -0.358 1.00 1.00 C ATOM 316 CD1 LEU A 977 61.630 0.729 -1.516 1.00 1.00 C ATOM 317 CD2 LEU A 977 61.204 1.932 0.623 1.00 1.00 C ATOM 0 H LEU A 977 65.113 -0.528 1.612 1.00 1.00 H new ATOM 0 HA LEU A 977 65.033 1.703 -0.137 1.00 1.00 H new ATOM 0 HB2 LEU A 977 63.548 -0.286 -0.310 1.00 1.00 H new ATOM 0 HB3 LEU A 977 62.813 0.105 1.233 1.00 1.00 H new ATOM 0 HG LEU A 977 62.836 2.347 -0.730 1.00 1.00 H new ATOM 0 HD11 LEU A 977 60.927 1.391 -2.022 1.00 1.00 H new ATOM 0 HD12 LEU A 977 62.393 0.402 -2.223 1.00 1.00 H new ATOM 0 HD13 LEU A 977 61.096 -0.139 -1.130 1.00 1.00 H new ATOM 0 HD21 LEU A 977 60.508 2.596 0.111 1.00 1.00 H new ATOM 0 HD22 LEU A 977 60.666 1.062 0.998 1.00 1.00 H new ATOM 0 HD23 LEU A 977 61.664 2.461 1.458 1.00 1.00 H new ATOM 329 N LEU A 978 63.932 2.238 2.931 1.00 1.00 N ATOM 330 CA LEU A 978 63.567 3.315 3.855 1.00 1.00 C ATOM 331 C LEU A 978 64.710 4.325 3.948 1.00 1.00 C ATOM 332 O LEU A 978 64.480 5.535 3.950 1.00 1.00 O ATOM 333 CB LEU A 978 63.267 2.731 5.243 1.00 1.00 C ATOM 334 CG LEU A 978 62.904 3.850 6.232 1.00 1.00 C ATOM 335 CD1 LEU A 978 61.701 4.643 5.713 1.00 1.00 C ATOM 336 CD2 LEU A 978 62.552 3.229 7.586 1.00 1.00 C ATOM 0 H LEU A 978 63.980 1.309 3.350 1.00 1.00 H new ATOM 0 HA LEU A 978 62.676 3.820 3.483 1.00 1.00 H new ATOM 0 HB2 LEU A 978 62.445 2.018 5.174 1.00 1.00 H new ATOM 0 HB3 LEU A 978 64.135 2.182 5.608 1.00 1.00 H new ATOM 0 HG LEU A 978 63.755 4.523 6.339 1.00 1.00 H new ATOM 0 HD11 LEU A 978 61.453 5.433 6.422 1.00 1.00 H new ATOM 0 HD12 LEU A 978 61.946 5.086 4.747 1.00 1.00 H new ATOM 0 HD13 LEU A 978 60.847 3.976 5.600 1.00 1.00 H new ATOM 0 HD21 LEU A 978 62.294 4.018 8.292 1.00 1.00 H new ATOM 0 HD22 LEU A 978 61.703 2.556 7.468 1.00 1.00 H new ATOM 0 HD23 LEU A 978 63.408 2.670 7.964 1.00 1.00 H new ATOM 348 N LEU A 979 65.931 3.826 4.017 1.00 1.00 N ATOM 349 CA LEU A 979 67.080 4.724 4.099 1.00 1.00 C ATOM 350 C LEU A 979 67.137 5.597 2.842 1.00 1.00 C ATOM 351 O LEU A 979 67.409 6.796 2.927 1.00 1.00 O ATOM 352 CB LEU A 979 68.374 3.917 4.228 1.00 1.00 C ATOM 353 CG LEU A 979 68.423 3.234 5.599 1.00 1.00 C ATOM 354 CD1 LEU A 979 69.607 2.265 5.644 1.00 1.00 C ATOM 355 CD2 LEU A 979 68.578 4.277 6.714 1.00 1.00 C ATOM 0 H LEU A 979 66.155 2.831 4.018 1.00 1.00 H new ATOM 0 HA LEU A 979 66.973 5.359 4.979 1.00 1.00 H new ATOM 0 HB2 LEU A 979 68.428 3.169 3.437 1.00 1.00 H new ATOM 0 HB3 LEU A 979 69.236 4.573 4.107 1.00 1.00 H new ATOM 0 HG LEU A 979 67.491 2.690 5.752 1.00 1.00 H new ATOM 0 HD11 LEU A 979 69.642 1.779 6.619 1.00 1.00 H new ATOM 0 HD12 LEU A 979 69.489 1.510 4.866 1.00 1.00 H new ATOM 0 HD13 LEU A 979 70.534 2.815 5.479 1.00 1.00 H new ATOM 0 HD21 LEU A 979 68.611 3.774 7.681 1.00 1.00 H new ATOM 0 HD22 LEU A 979 69.502 4.836 6.564 1.00 1.00 H new ATOM 0 HD23 LEU A 979 67.731 4.963 6.691 1.00 1.00 H new ATOM 367 N LEU A 980 66.873 5.005 1.683 1.00 1.00 N ATOM 368 CA LEU A 980 66.897 5.776 0.436 1.00 1.00 C ATOM 369 C LEU A 980 65.847 6.882 0.450 1.00 1.00 C ATOM 370 O LEU A 980 66.110 7.996 -0.007 1.00 1.00 O ATOM 371 CB LEU A 980 66.596 4.878 -0.766 1.00 1.00 C ATOM 372 CG LEU A 980 67.749 3.915 -1.028 1.00 1.00 C ATOM 373 CD1 LEU A 980 67.336 2.957 -2.146 1.00 1.00 C ATOM 374 CD2 LEU A 980 68.999 4.693 -1.449 1.00 1.00 C ATOM 0 H LEU A 980 66.644 4.017 1.575 1.00 1.00 H new ATOM 0 HA LEU A 980 67.896 6.205 0.354 1.00 1.00 H new ATOM 0 HB2 LEU A 980 65.681 4.315 -0.584 1.00 1.00 H new ATOM 0 HB3 LEU A 980 66.422 5.492 -1.649 1.00 1.00 H new ATOM 0 HG LEU A 980 67.977 3.357 -0.120 1.00 1.00 H new ATOM 0 HD11 LEU A 980 68.150 2.260 -2.347 1.00 1.00 H new ATOM 0 HD12 LEU A 980 66.450 2.401 -1.840 1.00 1.00 H new ATOM 0 HD13 LEU A 980 67.114 3.526 -3.049 1.00 1.00 H new ATOM 0 HD21 LEU A 980 69.816 3.996 -1.634 1.00 1.00 H new ATOM 0 HD22 LEU A 980 68.789 5.255 -2.359 1.00 1.00 H new ATOM 0 HD23 LEU A 980 69.283 5.383 -0.654 1.00 1.00 H new ATOM 386 N THR A 981 64.656 6.566 0.946 1.00 1.00 N ATOM 387 CA THR A 981 63.573 7.543 0.974 1.00 1.00 C ATOM 388 C THR A 981 63.940 8.750 1.834 1.00 1.00 C ATOM 389 O THR A 981 63.735 9.894 1.425 1.00 1.00 O ATOM 390 CB THR A 981 62.307 6.888 1.529 1.00 1.00 C ATOM 391 OG1 THR A 981 61.931 5.805 0.689 1.00 1.00 O ATOM 392 CG2 THR A 981 61.177 7.918 1.578 1.00 1.00 C ATOM 0 H THR A 981 64.417 5.652 1.330 1.00 1.00 H new ATOM 0 HA THR A 981 63.399 7.888 -0.045 1.00 1.00 H new ATOM 0 HB THR A 981 62.499 6.517 2.536 1.00 1.00 H new ATOM 0 HG1 THR A 981 62.567 5.068 0.801 1.00 1.00 H new ATOM 0 HG21 THR A 981 60.275 7.450 1.974 1.00 1.00 H new ATOM 0 HG22 THR A 981 61.468 8.747 2.223 1.00 1.00 H new ATOM 0 HG23 THR A 981 60.981 8.291 0.573 1.00 1.00 H new ATOM 400 N ILE A 982 64.458 8.494 3.028 1.00 1.00 N ATOM 401 CA ILE A 982 64.818 9.583 3.929 1.00 1.00 C ATOM 402 C ILE A 982 65.926 10.450 3.337 1.00 1.00 C ATOM 403 O ILE A 982 65.857 11.677 3.399 1.00 1.00 O ATOM 404 CB ILE A 982 65.278 9.014 5.272 1.00 1.00 C ATOM 405 CG1 ILE A 982 64.086 8.366 5.982 1.00 1.00 C ATOM 406 CG2 ILE A 982 65.840 10.142 6.140 1.00 1.00 C ATOM 407 CD1 ILE A 982 64.586 7.556 7.181 1.00 1.00 C ATOM 0 H ILE A 982 64.637 7.558 3.392 1.00 1.00 H new ATOM 0 HA ILE A 982 63.935 10.206 4.073 1.00 1.00 H new ATOM 0 HB ILE A 982 66.054 8.267 5.106 1.00 1.00 H new ATOM 0 HG12 ILE A 982 63.386 9.133 6.314 1.00 1.00 H new ATOM 0 HG13 ILE A 982 63.546 7.718 5.292 1.00 1.00 H new ATOM 0 HG21 ILE A 982 66.168 9.736 7.097 1.00 1.00 H new ATOM 0 HG22 ILE A 982 66.687 10.604 5.633 1.00 1.00 H new ATOM 0 HG23 ILE A 982 65.066 10.891 6.309 1.00 1.00 H new ATOM 0 HD11 ILE A 982 63.738 7.094 7.687 1.00 1.00 H new ATOM 0 HD12 ILE A 982 65.269 6.780 6.836 1.00 1.00 H new ATOM 0 HD13 ILE A 982 65.107 8.216 7.874 1.00 1.00 H new ATOM 419 N LEU A 983 66.942 9.819 2.760 1.00 1.00 N ATOM 420 CA LEU A 983 68.042 10.573 2.169 1.00 1.00 C ATOM 421 C LEU A 983 67.552 11.420 0.999 1.00 1.00 C ATOM 422 O LEU A 983 67.956 12.574 0.854 1.00 1.00 O ATOM 423 CB LEU A 983 69.130 9.607 1.684 1.00 1.00 C ATOM 424 CG LEU A 983 69.815 8.953 2.890 1.00 1.00 C ATOM 425 CD1 LEU A 983 70.742 7.838 2.404 1.00 1.00 C ATOM 426 CD2 LEU A 983 70.636 9.993 3.666 1.00 1.00 C ATOM 0 H LEU A 983 67.028 8.805 2.689 1.00 1.00 H new ATOM 0 HA LEU A 983 68.453 11.237 2.930 1.00 1.00 H new ATOM 0 HB2 LEU A 983 68.691 8.842 1.044 1.00 1.00 H new ATOM 0 HB3 LEU A 983 69.864 10.143 1.083 1.00 1.00 H new ATOM 0 HG LEU A 983 69.051 8.541 3.549 1.00 1.00 H new ATOM 0 HD11 LEU A 983 71.230 7.372 3.260 1.00 1.00 H new ATOM 0 HD12 LEU A 983 70.160 7.090 1.866 1.00 1.00 H new ATOM 0 HD13 LEU A 983 71.498 8.257 1.739 1.00 1.00 H new ATOM 0 HD21 LEU A 983 71.116 9.514 4.519 1.00 1.00 H new ATOM 0 HD22 LEU A 983 71.398 10.417 3.012 1.00 1.00 H new ATOM 0 HD23 LEU A 983 69.978 10.787 4.019 1.00 1.00 H new ATOM 438 N VAL A 984 66.703 10.844 0.155 1.00 1.00 N ATOM 439 CA VAL A 984 66.194 11.562 -1.010 1.00 1.00 C ATOM 440 C VAL A 984 65.397 12.793 -0.596 1.00 1.00 C ATOM 441 O VAL A 984 65.578 13.878 -1.153 1.00 1.00 O ATOM 442 CB VAL A 984 65.299 10.640 -1.838 1.00 1.00 C ATOM 443 CG1 VAL A 984 64.595 11.453 -2.929 1.00 1.00 C ATOM 444 CG2 VAL A 984 66.148 9.542 -2.487 1.00 1.00 C ATOM 0 H VAL A 984 66.355 9.890 0.253 1.00 1.00 H new ATOM 0 HA VAL A 984 67.049 11.885 -1.604 1.00 1.00 H new ATOM 0 HB VAL A 984 64.554 10.183 -1.187 1.00 1.00 H new ATOM 0 HG11 VAL A 984 63.957 10.795 -3.519 1.00 1.00 H new ATOM 0 HG12 VAL A 984 63.986 12.230 -2.468 1.00 1.00 H new ATOM 0 HG13 VAL A 984 65.340 11.913 -3.578 1.00 1.00 H new ATOM 0 HG21 VAL A 984 65.507 8.887 -3.076 1.00 1.00 H new ATOM 0 HG22 VAL A 984 66.897 9.997 -3.136 1.00 1.00 H new ATOM 0 HG23 VAL A 984 66.646 8.960 -1.711 1.00 1.00 H new ATOM 454 N LEU A 985 64.517 12.620 0.381 1.00 1.00 N ATOM 455 CA LEU A 985 63.701 13.732 0.853 1.00 1.00 C ATOM 456 C LEU A 985 64.581 14.820 1.459 1.00 1.00 C ATOM 457 O LEU A 985 64.348 16.007 1.230 1.00 1.00 O ATOM 458 CB LEU A 985 62.702 13.240 1.903 1.00 1.00 C ATOM 459 CG LEU A 985 61.648 12.349 1.233 1.00 1.00 C ATOM 460 CD1 LEU A 985 60.791 11.679 2.307 1.00 1.00 C ATOM 461 CD2 LEU A 985 60.746 13.187 0.313 1.00 1.00 C ATOM 0 H LEU A 985 64.350 11.733 0.857 1.00 1.00 H new ATOM 0 HA LEU A 985 63.159 14.147 0.003 1.00 1.00 H new ATOM 0 HB2 LEU A 985 63.222 12.682 2.682 1.00 1.00 H new ATOM 0 HB3 LEU A 985 62.220 14.089 2.387 1.00 1.00 H new ATOM 0 HG LEU A 985 62.156 11.591 0.637 1.00 1.00 H new ATOM 0 HD11 LEU A 985 60.042 11.046 1.832 1.00 1.00 H new ATOM 0 HD12 LEU A 985 61.425 11.070 2.951 1.00 1.00 H new ATOM 0 HD13 LEU A 985 60.294 12.443 2.905 1.00 1.00 H new ATOM 0 HD21 LEU A 985 60.003 12.541 -0.155 1.00 1.00 H new ATOM 0 HD22 LEU A 985 60.241 13.955 0.899 1.00 1.00 H new ATOM 0 HD23 LEU A 985 61.353 13.661 -0.459 1.00 1.00 H new ATOM 473 N ALA A 986 65.576 14.422 2.244 1.00 1.00 N ATOM 474 CA ALA A 986 66.456 15.393 2.888 1.00 1.00 C ATOM 475 C ALA A 986 67.227 16.235 1.867 1.00 1.00 C ATOM 476 O ALA A 986 67.324 17.453 2.006 1.00 1.00 O ATOM 477 CB ALA A 986 67.450 14.670 3.798 1.00 1.00 C ATOM 0 H ALA A 986 65.793 13.447 2.449 1.00 1.00 H new ATOM 0 HA ALA A 986 65.827 16.064 3.473 1.00 1.00 H new ATOM 0 HB1 ALA A 986 68.104 15.400 4.275 1.00 1.00 H new ATOM 0 HB2 ALA A 986 66.906 14.115 4.562 1.00 1.00 H new ATOM 0 HB3 ALA A 986 68.050 13.979 3.206 1.00 1.00 H new ATOM 483 N MET A 987 67.778 15.580 0.850 1.00 1.00 N ATOM 484 CA MET A 987 68.547 16.291 -0.172 1.00 1.00 C ATOM 485 C MET A 987 67.671 17.245 -0.989 1.00 1.00 C ATOM 486 O MET A 987 68.064 18.377 -1.271 1.00 1.00 O ATOM 487 CB MET A 987 69.247 15.295 -1.096 1.00 1.00 C ATOM 488 CG MET A 987 70.452 14.687 -0.367 1.00 1.00 C ATOM 489 SD MET A 987 71.329 13.550 -1.472 1.00 1.00 S ATOM 490 CE MET A 987 70.171 12.161 -1.377 1.00 1.00 C ATOM 0 H MET A 987 67.710 14.572 0.710 1.00 1.00 H new ATOM 0 HA MET A 987 69.296 16.893 0.343 1.00 1.00 H new ATOM 0 HB2 MET A 987 68.553 14.509 -1.394 1.00 1.00 H new ATOM 0 HB3 MET A 987 69.573 15.795 -2.008 1.00 1.00 H new ATOM 0 HG2 MET A 987 71.125 15.478 -0.036 1.00 1.00 H new ATOM 0 HG3 MET A 987 70.119 14.157 0.525 1.00 1.00 H new ATOM 0 HE1 MET A 987 70.592 11.300 -1.896 1.00 1.00 H new ATOM 0 HE2 MET A 987 69.995 11.905 -0.332 1.00 1.00 H new ATOM 0 HE3 MET A 987 69.228 12.441 -1.846 1.00 1.00 H new ATOM 500 N TRP A 988 66.480 16.779 -1.354 1.00 1.00 N ATOM 501 CA TRP A 988 65.546 17.601 -2.129 1.00 1.00 C ATOM 502 C TRP A 988 65.111 18.810 -1.304 1.00 1.00 C ATOM 503 O TRP A 988 65.019 19.919 -1.825 1.00 1.00 O ATOM 504 CB TRP A 988 64.322 16.762 -2.514 1.00 1.00 C ATOM 505 CG TRP A 988 63.225 17.641 -3.030 1.00 1.00 C ATOM 506 CD1 TRP A 988 63.398 18.799 -3.708 1.00 1.00 C ATOM 507 CD2 TRP A 988 61.784 17.447 -2.915 1.00 1.00 C ATOM 508 NE1 TRP A 988 62.156 19.325 -4.019 1.00 1.00 N ATOM 509 CE2 TRP A 988 61.132 18.529 -3.550 1.00 1.00 C ATOM 510 CE3 TRP A 988 60.990 16.446 -2.328 1.00 1.00 C ATOM 511 CZ2 TRP A 988 59.739 18.616 -3.601 1.00 1.00 C ATOM 512 CZ3 TRP A 988 59.589 16.529 -2.377 1.00 1.00 C ATOM 513 CH2 TRP A 988 58.965 17.613 -3.012 1.00 1.00 C ATOM 0 H TRP A 988 66.138 15.845 -1.130 1.00 1.00 H new ATOM 0 HA TRP A 988 66.040 17.951 -3.035 1.00 1.00 H new ATOM 0 HB2 TRP A 988 64.599 16.032 -3.274 1.00 1.00 H new ATOM 0 HB3 TRP A 988 63.970 16.202 -1.647 1.00 1.00 H new ATOM 0 HD1 TRP A 988 64.350 19.241 -3.965 1.00 1.00 H new ATOM 0 HE1 TRP A 988 62.015 20.195 -4.532 1.00 1.00 H new ATOM 0 HE3 TRP A 988 61.461 15.608 -1.836 1.00 1.00 H new ATOM 0 HZ2 TRP A 988 59.264 19.452 -4.092 1.00 1.00 H new ATOM 0 HZ3 TRP A 988 58.989 15.754 -1.923 1.00 1.00 H new ATOM 0 HH2 TRP A 988 57.887 17.672 -3.046 1.00 1.00 H new ATOM 524 N LYS A 989 64.838 18.608 -0.027 1.00 1.00 N ATOM 525 CA LYS A 989 64.408 19.711 0.822 1.00 1.00 C ATOM 526 C LYS A 989 65.500 20.765 0.917 1.00 1.00 C ATOM 527 O LYS A 989 65.226 21.960 1.027 1.00 1.00 O ATOM 528 CB LYS A 989 64.073 19.195 2.225 1.00 1.00 C ATOM 529 CG LYS A 989 63.488 20.331 3.064 1.00 1.00 C ATOM 530 CD LYS A 989 63.099 19.798 4.445 1.00 1.00 C ATOM 531 CE LYS A 989 62.499 20.933 5.281 1.00 1.00 C ATOM 532 NZ LYS A 989 62.098 20.405 6.618 1.00 1.00 N ATOM 0 H LYS A 989 64.904 17.705 0.442 1.00 1.00 H new ATOM 0 HA LYS A 989 63.519 20.160 0.379 1.00 1.00 H new ATOM 0 HB2 LYS A 989 63.360 18.373 2.160 1.00 1.00 H new ATOM 0 HB3 LYS A 989 64.970 18.802 2.703 1.00 1.00 H new ATOM 0 HG2 LYS A 989 64.217 21.135 3.165 1.00 1.00 H new ATOM 0 HG3 LYS A 989 62.615 20.753 2.566 1.00 1.00 H new ATOM 0 HD2 LYS A 989 62.378 18.987 4.343 1.00 1.00 H new ATOM 0 HD3 LYS A 989 63.974 19.386 4.947 1.00 1.00 H new ATOM 0 HE2 LYS A 989 63.226 21.737 5.398 1.00 1.00 H new ATOM 0 HE3 LYS A 989 61.634 21.357 4.771 1.00 1.00 H new ATOM 0 HZ1 LYS A 989 61.690 21.174 7.187 1.00 1.00 H new ATOM 0 HZ2 LYS A 989 61.391 19.652 6.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 989 62.933 20.020 7.104 1.00 1.00 H new ATOM 546 N VAL A 990 66.738 20.300 0.882 1.00 1.00 N ATOM 547 CA VAL A 990 67.879 21.192 0.974 1.00 1.00 C ATOM 548 C VAL A 990 68.102 21.885 -0.355 1.00 1.00 C ATOM 549 O VAL A 990 68.993 22.724 -0.485 1.00 1.00 O ATOM 550 CB VAL A 990 69.130 20.404 1.367 1.00 1.00 C ATOM 551 CG1 VAL A 990 70.319 21.357 1.497 1.00 1.00 C ATOM 552 CG2 VAL A 990 68.893 19.705 2.707 1.00 1.00 C ATOM 0 H VAL A 990 66.977 19.313 0.791 1.00 1.00 H new ATOM 0 HA VAL A 990 67.679 21.943 1.738 1.00 1.00 H new ATOM 0 HB VAL A 990 69.343 19.661 0.599 1.00 1.00 H new ATOM 0 HG11 VAL A 990 71.209 20.793 1.777 1.00 1.00 H new ATOM 0 HG12 VAL A 990 70.491 21.856 0.543 1.00 1.00 H new ATOM 0 HG13 VAL A 990 70.106 22.102 2.263 1.00 1.00 H new ATOM 0 HG21 VAL A 990 69.784 19.143 2.987 1.00 1.00 H new ATOM 0 HG22 VAL A 990 68.678 20.450 3.473 1.00 1.00 H new ATOM 0 HG23 VAL A 990 68.048 19.023 2.617 1.00 1.00 H new ATOM 562 N GLY A 991 67.291 21.534 -1.344 1.00 1.00 N ATOM 563 CA GLY A 991 67.418 22.131 -2.657 1.00 1.00 C ATOM 564 C GLY A 991 68.652 21.586 -3.335 1.00 1.00 C ATOM 565 O GLY A 991 69.054 22.086 -4.385 1.00 1.00 O ATOM 0 H GLY A 991 66.545 20.844 -1.259 1.00 1.00 H new ATOM 0 HA2 GLY A 991 66.534 21.913 -3.256 1.00 1.00 H new ATOM 0 HA3 GLY A 991 67.485 23.216 -2.571 1.00 1.00 H new ATOM 569 N PHE A 992 69.287 20.583 -2.739 1.00 1.00 N ATOM 570 CA PHE A 992 70.498 20.031 -3.315 1.00 1.00 C ATOM 571 C PHE A 992 70.188 19.588 -4.741 1.00 1.00 C ATOM 572 O PHE A 992 70.901 19.924 -5.683 1.00 1.00 O ATOM 573 CB PHE A 992 70.938 18.823 -2.468 1.00 1.00 C ATOM 574 CG PHE A 992 72.438 18.569 -2.548 1.00 1.00 C ATOM 575 CD1 PHE A 992 73.201 18.940 -3.670 1.00 1.00 C ATOM 576 CD2 PHE A 992 73.068 17.941 -1.464 1.00 1.00 C ATOM 577 CE1 PHE A 992 74.577 18.684 -3.698 1.00 1.00 C ATOM 578 CE2 PHE A 992 74.444 17.687 -1.497 1.00 1.00 C ATOM 579 CZ PHE A 992 75.197 18.058 -2.613 1.00 1.00 C ATOM 0 H PHE A 992 68.985 20.143 -1.869 1.00 1.00 H new ATOM 0 HA PHE A 992 71.299 20.770 -3.328 1.00 1.00 H new ATOM 0 HB2 PHE A 992 70.656 18.990 -1.428 1.00 1.00 H new ATOM 0 HB3 PHE A 992 70.404 17.934 -2.804 1.00 1.00 H new ATOM 0 HD1 PHE A 992 72.725 19.423 -4.511 1.00 1.00 H new ATOM 0 HD2 PHE A 992 72.489 17.652 -0.600 1.00 1.00 H new ATOM 0 HE1 PHE A 992 75.161 18.971 -4.560 1.00 1.00 H new ATOM 0 HE2 PHE A 992 74.924 17.204 -0.659 1.00 1.00 H new ATOM 0 HZ PHE A 992 76.259 17.861 -2.638 1.00 1.00 H new ATOM 589 N PHE A 993 69.069 18.894 -4.910 1.00 1.00 N ATOM 590 CA PHE A 993 68.632 18.475 -6.236 1.00 1.00 C ATOM 591 C PHE A 993 68.112 19.647 -7.055 1.00 1.00 C ATOM 592 O PHE A 993 68.273 19.684 -8.275 1.00 1.00 O ATOM 593 CB PHE A 993 67.529 17.419 -6.152 1.00 1.00 C ATOM 594 CG PHE A 993 68.110 16.065 -5.815 1.00 1.00 C ATOM 595 CD1 PHE A 993 68.995 15.442 -6.707 1.00 1.00 C ATOM 596 CD2 PHE A 993 67.752 15.420 -4.624 1.00 1.00 C ATOM 597 CE1 PHE A 993 69.519 14.181 -6.407 1.00 1.00 C ATOM 598 CE2 PHE A 993 68.278 14.158 -4.328 1.00 1.00 C ATOM 599 CZ PHE A 993 69.160 13.539 -5.218 1.00 1.00 C ATOM 0 H PHE A 993 68.451 18.611 -4.150 1.00 1.00 H new ATOM 0 HA PHE A 993 69.509 18.053 -6.726 1.00 1.00 H new ATOM 0 HB2 PHE A 993 66.800 17.706 -5.394 1.00 1.00 H new ATOM 0 HB3 PHE A 993 66.997 17.366 -7.102 1.00 1.00 H new ATOM 0 HD1 PHE A 993 69.272 15.937 -7.626 1.00 1.00 H new ATOM 0 HD2 PHE A 993 67.071 15.897 -3.935 1.00 1.00 H new ATOM 0 HE1 PHE A 993 70.201 13.703 -7.094 1.00 1.00 H new ATOM 0 HE2 PHE A 993 68.002 13.661 -3.410 1.00 1.00 H new ATOM 0 HZ PHE A 993 69.564 12.565 -4.987 1.00 1.00 H new ATOM 804 N ASP B 692 76.658 -15.870 7.430 1.00 1.00 N ATOM 805 CA ASP B 692 75.961 -15.279 8.558 1.00 1.00 C ATOM 806 C ASP B 692 74.739 -14.471 8.117 1.00 1.00 C ATOM 807 O ASP B 692 74.753 -13.759 7.093 1.00 1.00 O ATOM 808 CB ASP B 692 76.917 -14.389 9.338 1.00 1.00 C ATOM 809 CG ASP B 692 77.834 -15.224 10.230 1.00 1.00 C ATOM 810 OD1 ASP B 692 77.544 -16.393 10.447 1.00 1.00 O ATOM 811 OD2 ASP B 692 78.818 -14.670 10.685 1.00 1.00 O ATOM 0 HA ASP B 692 75.605 -16.090 9.193 1.00 1.00 H new ATOM 0 HB2 ASP B 692 77.516 -13.798 8.646 1.00 1.00 H new ATOM 0 HB3 ASP B 692 76.350 -13.687 9.949 1.00 1.00 H new ATOM 816 N ILE B 693 73.666 -14.615 8.869 1.00 1.00 N ATOM 817 CA ILE B 693 72.428 -13.931 8.487 1.00 1.00 C ATOM 818 C ILE B 693 72.610 -12.420 8.492 1.00 1.00 C ATOM 819 O ILE B 693 72.197 -11.725 7.552 1.00 1.00 O ATOM 820 CB ILE B 693 71.286 -14.306 9.452 1.00 1.00 C ATOM 821 CG1 ILE B 693 70.905 -15.772 9.235 1.00 1.00 C ATOM 822 CG2 ILE B 693 70.054 -13.449 9.176 1.00 1.00 C ATOM 823 CD1 ILE B 693 70.005 -16.248 10.380 1.00 1.00 C ATOM 0 H ILE B 693 73.615 -15.176 9.719 1.00 1.00 H new ATOM 0 HA ILE B 693 72.174 -14.252 7.477 1.00 1.00 H new ATOM 0 HB ILE B 693 71.626 -14.141 10.474 1.00 1.00 H new ATOM 0 HG12 ILE B 693 70.388 -15.886 8.282 1.00 1.00 H new ATOM 0 HG13 ILE B 693 71.803 -16.388 9.186 1.00 1.00 H new ATOM 0 HG21 ILE B 693 69.256 -13.726 9.865 1.00 1.00 H new ATOM 0 HG22 ILE B 693 70.304 -12.397 9.314 1.00 1.00 H new ATOM 0 HG23 ILE B 693 69.720 -13.611 8.151 1.00 1.00 H new ATOM 0 HD11 ILE B 693 69.736 -17.292 10.221 1.00 1.00 H new ATOM 0 HD12 ILE B 693 70.537 -16.150 11.326 1.00 1.00 H new ATOM 0 HD13 ILE B 693 69.100 -15.641 10.408 1.00 1.00 H new ATOM 835 N LEU B 694 73.251 -11.928 9.538 1.00 1.00 N ATOM 836 CA LEU B 694 73.490 -10.486 9.679 1.00 1.00 C ATOM 837 C LEU B 694 74.337 -9.936 8.541 1.00 1.00 C ATOM 838 O LEU B 694 74.041 -8.859 8.024 1.00 1.00 O ATOM 839 CB LEU B 694 74.207 -10.212 10.999 1.00 1.00 C ATOM 840 CG LEU B 694 73.197 -10.165 12.153 1.00 1.00 C ATOM 841 CD1 LEU B 694 72.309 -8.921 12.032 1.00 1.00 C ATOM 842 CD2 LEU B 694 72.311 -11.415 12.121 1.00 1.00 C ATOM 0 H LEU B 694 73.617 -12.495 10.303 1.00 1.00 H new ATOM 0 HA LEU B 694 72.520 -9.990 9.656 1.00 1.00 H new ATOM 0 HB2 LEU B 694 74.948 -10.989 11.186 1.00 1.00 H new ATOM 0 HB3 LEU B 694 74.745 -9.266 10.939 1.00 1.00 H new ATOM 0 HG LEU B 694 73.748 -10.126 13.093 1.00 1.00 H new ATOM 0 HD11 LEU B 694 71.597 -8.900 12.857 1.00 1.00 H new ATOM 0 HD12 LEU B 694 72.930 -8.026 12.066 1.00 1.00 H new ATOM 0 HD13 LEU B 694 71.768 -8.951 11.086 1.00 1.00 H new ATOM 0 HD21 LEU B 694 71.596 -11.375 12.943 1.00 1.00 H new ATOM 0 HD22 LEU B 694 71.773 -11.456 11.174 1.00 1.00 H new ATOM 0 HD23 LEU B 694 72.933 -12.304 12.223 1.00 1.00 H new ATOM 854 N VAL B 695 75.376 -10.664 8.144 1.00 1.00 N ATOM 855 CA VAL B 695 76.239 -10.202 7.054 1.00 1.00 C ATOM 856 C VAL B 695 75.454 -10.104 5.752 1.00 1.00 C ATOM 857 O VAL B 695 75.602 -9.132 5.007 1.00 1.00 O ATOM 858 CB VAL B 695 77.420 -11.160 6.874 1.00 1.00 C ATOM 859 CG1 VAL B 695 78.195 -10.801 5.602 1.00 1.00 C ATOM 860 CG2 VAL B 695 78.368 -11.066 8.074 1.00 1.00 C ATOM 0 H VAL B 695 75.641 -11.561 8.550 1.00 1.00 H new ATOM 0 HA VAL B 695 76.615 -9.212 7.312 1.00 1.00 H new ATOM 0 HB VAL B 695 77.031 -12.175 6.796 1.00 1.00 H new ATOM 0 HG11 VAL B 695 79.033 -11.487 5.481 1.00 1.00 H new ATOM 0 HG12 VAL B 695 77.534 -10.880 4.739 1.00 1.00 H new ATOM 0 HG13 VAL B 695 78.570 -9.780 5.680 1.00 1.00 H new ATOM 0 HG21 VAL B 695 79.203 -11.752 7.933 1.00 1.00 H new ATOM 0 HG22 VAL B 695 78.746 -10.047 8.160 1.00 1.00 H new ATOM 0 HG23 VAL B 695 77.830 -11.331 8.984 1.00 1.00 H new ATOM 870 N VAL B 696 74.632 -11.105 5.455 1.00 1.00 N ATOM 871 CA VAL B 696 73.853 -11.072 4.221 1.00 1.00 C ATOM 872 C VAL B 696 72.840 -9.924 4.248 1.00 1.00 C ATOM 873 O VAL B 696 72.635 -9.218 3.257 1.00 1.00 O ATOM 874 CB VAL B 696 73.139 -12.403 3.998 1.00 1.00 C ATOM 875 CG1 VAL B 696 72.174 -12.287 2.825 1.00 1.00 C ATOM 876 CG2 VAL B 696 74.165 -13.483 3.686 1.00 1.00 C ATOM 0 H VAL B 696 74.489 -11.931 6.036 1.00 1.00 H new ATOM 0 HA VAL B 696 74.541 -10.905 3.392 1.00 1.00 H new ATOM 0 HB VAL B 696 72.586 -12.662 4.901 1.00 1.00 H new ATOM 0 HG11 VAL B 696 71.669 -13.241 2.673 1.00 1.00 H new ATOM 0 HG12 VAL B 696 71.434 -11.515 3.037 1.00 1.00 H new ATOM 0 HG13 VAL B 696 72.727 -12.022 1.924 1.00 1.00 H new ATOM 0 HG21 VAL B 696 73.656 -14.433 3.527 1.00 1.00 H new ATOM 0 HG22 VAL B 696 74.717 -13.212 2.786 1.00 1.00 H new ATOM 0 HG23 VAL B 696 74.858 -13.578 4.522 1.00 1.00 H new ATOM 886 N LEU B 697 72.175 -9.765 5.377 1.00 1.00 N ATOM 887 CA LEU B 697 71.168 -8.718 5.519 1.00 1.00 C ATOM 888 C LEU B 697 71.778 -7.329 5.378 1.00 1.00 C ATOM 889 O LEU B 697 71.219 -6.436 4.728 1.00 1.00 O ATOM 890 CB LEU B 697 70.495 -8.837 6.889 1.00 1.00 C ATOM 891 CG LEU B 697 69.409 -7.762 7.038 1.00 1.00 C ATOM 892 CD1 LEU B 697 68.228 -8.378 7.783 1.00 1.00 C ATOM 893 CD2 LEU B 697 69.945 -6.573 7.850 1.00 1.00 C ATOM 0 H LEU B 697 72.309 -10.342 6.208 1.00 1.00 H new ATOM 0 HA LEU B 697 70.434 -8.850 4.724 1.00 1.00 H new ATOM 0 HB2 LEU B 697 70.055 -9.828 7.002 1.00 1.00 H new ATOM 0 HB3 LEU B 697 71.238 -8.726 7.679 1.00 1.00 H new ATOM 0 HG LEU B 697 69.106 -7.408 6.052 1.00 1.00 H new ATOM 0 HD11 LEU B 697 67.443 -7.631 7.901 1.00 1.00 H new ATOM 0 HD12 LEU B 697 67.842 -9.225 7.216 1.00 1.00 H new ATOM 0 HD13 LEU B 697 68.555 -8.719 8.765 1.00 1.00 H new ATOM 0 HD21 LEU B 697 69.165 -5.818 7.948 1.00 1.00 H new ATOM 0 HD22 LEU B 697 70.246 -6.915 8.840 1.00 1.00 H new ATOM 0 HD23 LEU B 697 70.805 -6.141 7.338 1.00 1.00 H new ATOM 905 N LEU B 698 72.932 -7.141 5.997 1.00 1.00 N ATOM 906 CA LEU B 698 73.601 -5.840 5.932 1.00 1.00 C ATOM 907 C LEU B 698 74.026 -5.524 4.504 1.00 1.00 C ATOM 908 O LEU B 698 73.875 -4.396 4.018 1.00 1.00 O ATOM 909 CB LEU B 698 74.824 -5.812 6.850 1.00 1.00 C ATOM 910 CG LEU B 698 74.368 -5.809 8.312 1.00 1.00 C ATOM 911 CD1 LEU B 698 75.577 -6.056 9.218 1.00 1.00 C ATOM 912 CD2 LEU B 698 73.728 -4.460 8.679 1.00 1.00 C ATOM 0 H LEU B 698 73.421 -7.852 6.541 1.00 1.00 H new ATOM 0 HA LEU B 698 72.891 -5.084 6.266 1.00 1.00 H new ATOM 0 HB2 LEU B 698 75.456 -6.679 6.657 1.00 1.00 H new ATOM 0 HB3 LEU B 698 75.426 -4.927 6.644 1.00 1.00 H new ATOM 0 HG LEU B 698 73.627 -6.597 8.449 1.00 1.00 H new ATOM 0 HD11 LEU B 698 75.257 -6.055 10.260 1.00 1.00 H new ATOM 0 HD12 LEU B 698 76.022 -7.021 8.976 1.00 1.00 H new ATOM 0 HD13 LEU B 698 76.314 -5.268 9.064 1.00 1.00 H new ATOM 0 HD21 LEU B 698 73.411 -4.479 9.722 1.00 1.00 H new ATOM 0 HD22 LEU B 698 74.456 -3.661 8.536 1.00 1.00 H new ATOM 0 HD23 LEU B 698 72.863 -4.282 8.040 1.00 1.00 H new ATOM 924 N SER B 699 74.562 -6.533 3.836 1.00 1.00 N ATOM 925 CA SER B 699 75.016 -6.380 2.464 1.00 1.00 C ATOM 926 C SER B 699 73.850 -5.994 1.551 1.00 1.00 C ATOM 927 O SER B 699 74.014 -5.183 0.633 1.00 1.00 O ATOM 928 CB SER B 699 75.639 -7.695 2.002 1.00 1.00 C ATOM 929 OG SER B 699 74.694 -8.743 2.173 1.00 1.00 O ATOM 0 H SER B 699 74.693 -7.468 4.223 1.00 1.00 H new ATOM 0 HA SER B 699 75.759 -5.584 2.414 1.00 1.00 H new ATOM 0 HB2 SER B 699 75.936 -7.623 0.956 1.00 1.00 H new ATOM 0 HB3 SER B 699 76.542 -7.905 2.576 1.00 1.00 H new ATOM 0 HG SER B 699 73.924 -8.410 2.680 1.00 1.00 H new ATOM 935 N VAL B 700 72.673 -6.560 1.805 1.00 1.00 N ATOM 936 CA VAL B 700 71.506 -6.230 0.995 1.00 1.00 C ATOM 937 C VAL B 700 71.148 -4.758 1.159 1.00 1.00 C ATOM 938 O VAL B 700 70.894 -4.055 0.186 1.00 1.00 O ATOM 939 CB VAL B 700 70.312 -7.090 1.403 1.00 1.00 C ATOM 940 CG1 VAL B 700 69.059 -6.610 0.667 1.00 1.00 C ATOM 941 CG2 VAL B 700 70.587 -8.553 1.053 1.00 1.00 C ATOM 0 H VAL B 700 72.504 -7.236 2.550 1.00 1.00 H new ATOM 0 HA VAL B 700 71.749 -6.428 -0.049 1.00 1.00 H new ATOM 0 HB VAL B 700 70.155 -7.002 2.478 1.00 1.00 H new ATOM 0 HG11 VAL B 700 68.208 -7.225 0.959 1.00 1.00 H new ATOM 0 HG12 VAL B 700 68.861 -5.570 0.926 1.00 1.00 H new ATOM 0 HG13 VAL B 700 69.215 -6.693 -0.409 1.00 1.00 H new ATOM 0 HG21 VAL B 700 69.733 -9.164 1.346 1.00 1.00 H new ATOM 0 HG22 VAL B 700 70.749 -8.646 -0.021 1.00 1.00 H new ATOM 0 HG23 VAL B 700 71.476 -8.893 1.585 1.00 1.00 H new ATOM 951 N MET B 701 71.149 -4.301 2.409 1.00 1.00 N ATOM 952 CA MET B 701 70.830 -2.907 2.704 1.00 1.00 C ATOM 953 C MET B 701 71.845 -1.979 2.047 1.00 1.00 C ATOM 954 O MET B 701 71.475 -0.938 1.504 1.00 1.00 O ATOM 955 CB MET B 701 70.773 -2.661 4.214 1.00 1.00 C ATOM 956 CG MET B 701 69.435 -3.161 4.766 1.00 1.00 C ATOM 957 SD MET B 701 69.434 -3.030 6.572 1.00 1.00 S ATOM 958 CE MET B 701 69.401 -1.224 6.685 1.00 1.00 C ATOM 0 H MET B 701 71.365 -4.870 3.227 1.00 1.00 H new ATOM 0 HA MET B 701 69.844 -2.691 2.293 1.00 1.00 H new ATOM 0 HB2 MET B 701 71.597 -3.176 4.708 1.00 1.00 H new ATOM 0 HB3 MET B 701 70.890 -1.598 4.424 1.00 1.00 H new ATOM 0 HG2 MET B 701 68.616 -2.575 4.349 1.00 1.00 H new ATOM 0 HG3 MET B 701 69.271 -4.196 4.467 1.00 1.00 H new ATOM 0 HE1 MET B 701 68.978 -0.927 7.645 1.00 1.00 H new ATOM 0 HE2 MET B 701 70.416 -0.836 6.600 1.00 1.00 H new ATOM 0 HE3 MET B 701 68.789 -0.820 5.879 1.00 1.00 H new ATOM 968 N GLY B 702 73.120 -2.358 2.065 1.00 1.00 N ATOM 969 CA GLY B 702 74.149 -1.541 1.427 1.00 1.00 C ATOM 970 C GLY B 702 73.934 -1.506 -0.084 1.00 1.00 C ATOM 971 O GLY B 702 74.087 -0.462 -0.720 1.00 1.00 O ATOM 0 H GLY B 702 73.462 -3.211 2.507 1.00 1.00 H new ATOM 0 HA2 GLY B 702 74.120 -0.528 1.829 1.00 1.00 H new ATOM 0 HA3 GLY B 702 75.136 -1.946 1.652 1.00 1.00 H new ATOM 975 N ALA B 703 73.587 -2.662 -0.654 1.00 1.00 N ATOM 976 CA ALA B 703 73.366 -2.761 -2.095 1.00 1.00 C ATOM 977 C ALA B 703 72.217 -1.858 -2.518 1.00 1.00 C ATOM 978 O ALA B 703 72.277 -1.211 -3.563 1.00 1.00 O ATOM 979 CB ALA B 703 73.052 -4.210 -2.481 1.00 1.00 C ATOM 0 H ALA B 703 73.454 -3.535 -0.143 1.00 1.00 H new ATOM 0 HA ALA B 703 74.274 -2.442 -2.607 1.00 1.00 H new ATOM 0 HB1 ALA B 703 72.889 -4.273 -3.557 1.00 1.00 H new ATOM 0 HB2 ALA B 703 73.889 -4.850 -2.203 1.00 1.00 H new ATOM 0 HB3 ALA B 703 72.154 -4.539 -1.958 1.00 1.00 H new ATOM 985 N ILE B 704 71.187 -1.791 -1.684 1.00 1.00 N ATOM 986 CA ILE B 704 70.057 -0.926 -1.985 1.00 1.00 C ATOM 987 C ILE B 704 70.526 0.519 -2.016 1.00 1.00 C ATOM 988 O ILE B 704 70.138 1.286 -2.893 1.00 1.00 O ATOM 989 CB ILE B 704 68.951 -1.053 -0.928 1.00 1.00 C ATOM 990 CG1 ILE B 704 68.267 -2.433 -0.987 1.00 1.00 C ATOM 991 CG2 ILE B 704 67.912 0.052 -1.124 1.00 1.00 C ATOM 992 CD1 ILE B 704 67.657 -2.691 -2.373 1.00 1.00 C ATOM 0 H ILE B 704 71.111 -2.314 -0.812 1.00 1.00 H new ATOM 0 HA ILE B 704 69.654 -1.228 -2.952 1.00 1.00 H new ATOM 0 HB ILE B 704 69.413 -0.950 0.054 1.00 1.00 H new ATOM 0 HG12 ILE B 704 68.993 -3.212 -0.756 1.00 1.00 H new ATOM 0 HG13 ILE B 704 67.487 -2.488 -0.227 1.00 1.00 H new ATOM 0 HG21 ILE B 704 67.131 -0.045 -0.370 1.00 1.00 H new ATOM 0 HG22 ILE B 704 68.393 1.025 -1.025 1.00 1.00 H new ATOM 0 HG23 ILE B 704 67.471 -0.035 -2.117 1.00 1.00 H new ATOM 0 HD11 ILE B 704 67.182 -3.672 -2.384 1.00 1.00 H new ATOM 0 HD12 ILE B 704 66.913 -1.925 -2.592 1.00 1.00 H new ATOM 0 HD13 ILE B 704 68.443 -2.660 -3.128 1.00 1.00 H new ATOM 1004 N LEU B 705 71.362 0.883 -1.052 1.00 1.00 N ATOM 1005 CA LEU B 705 71.865 2.245 -0.977 1.00 1.00 C ATOM 1006 C LEU B 705 72.648 2.596 -2.240 1.00 1.00 C ATOM 1007 O LEU B 705 72.462 3.669 -2.813 1.00 1.00 O ATOM 1008 CB LEU B 705 72.767 2.377 0.256 1.00 1.00 C ATOM 1009 CG LEU B 705 73.346 3.793 0.357 1.00 1.00 C ATOM 1010 CD1 LEU B 705 72.217 4.825 0.404 1.00 1.00 C ATOM 1011 CD2 LEU B 705 74.180 3.903 1.635 1.00 1.00 C ATOM 0 H LEU B 705 71.702 0.260 -0.319 1.00 1.00 H new ATOM 0 HA LEU B 705 71.026 2.935 -0.894 1.00 1.00 H new ATOM 0 HB2 LEU B 705 72.196 2.147 1.156 1.00 1.00 H new ATOM 0 HB3 LEU B 705 73.578 1.651 0.199 1.00 1.00 H new ATOM 0 HG LEU B 705 73.969 3.987 -0.516 1.00 1.00 H new ATOM 0 HD11 LEU B 705 72.642 5.826 0.476 1.00 1.00 H new ATOM 0 HD12 LEU B 705 71.617 4.750 -0.503 1.00 1.00 H new ATOM 0 HD13 LEU B 705 71.587 4.635 1.273 1.00 1.00 H new ATOM 0 HD21 LEU B 705 74.595 4.908 1.713 1.00 1.00 H new ATOM 0 HD22 LEU B 705 73.548 3.703 2.500 1.00 1.00 H new ATOM 0 HD23 LEU B 705 74.992 3.177 1.603 1.00 1.00 H new ATOM 1023 N LEU B 706 73.519 1.697 -2.676 1.00 1.00 N ATOM 1024 CA LEU B 706 74.313 1.946 -3.876 1.00 1.00 C ATOM 1025 C LEU B 706 73.425 2.081 -5.114 1.00 1.00 C ATOM 1026 O LEU B 706 73.656 2.944 -5.961 1.00 1.00 O ATOM 1027 CB LEU B 706 75.309 0.800 -4.085 1.00 1.00 C ATOM 1028 CG LEU B 706 76.383 0.842 -2.990 1.00 1.00 C ATOM 1029 CD1 LEU B 706 77.234 -0.427 -3.066 1.00 1.00 C ATOM 1030 CD2 LEU B 706 77.286 2.073 -3.170 1.00 1.00 C ATOM 0 H LEU B 706 73.694 0.799 -2.225 1.00 1.00 H new ATOM 0 HA LEU B 706 74.849 2.884 -3.736 1.00 1.00 H new ATOM 0 HB2 LEU B 706 74.788 -0.157 -4.060 1.00 1.00 H new ATOM 0 HB3 LEU B 706 75.774 0.884 -5.067 1.00 1.00 H new ATOM 0 HG LEU B 706 75.893 0.904 -2.018 1.00 1.00 H new ATOM 0 HD11 LEU B 706 77.998 -0.400 -2.289 1.00 1.00 H new ATOM 0 HD12 LEU B 706 76.599 -1.300 -2.920 1.00 1.00 H new ATOM 0 HD13 LEU B 706 77.713 -0.486 -4.044 1.00 1.00 H new ATOM 0 HD21 LEU B 706 78.042 2.087 -2.385 1.00 1.00 H new ATOM 0 HD22 LEU B 706 77.774 2.027 -4.143 1.00 1.00 H new ATOM 0 HD23 LEU B 706 76.683 2.979 -3.109 1.00 1.00 H new ATOM 1042 N ILE B 707 72.426 1.211 -5.225 1.00 1.00 N ATOM 1043 CA ILE B 707 71.531 1.233 -6.381 1.00 1.00 C ATOM 1044 C ILE B 707 70.736 2.534 -6.453 1.00 1.00 C ATOM 1045 O ILE B 707 70.593 3.117 -7.526 1.00 1.00 O ATOM 1046 CB ILE B 707 70.572 0.044 -6.319 1.00 1.00 C ATOM 1047 CG1 ILE B 707 71.355 -1.254 -6.537 1.00 1.00 C ATOM 1048 CG2 ILE B 707 69.514 0.189 -7.416 1.00 1.00 C ATOM 1049 CD1 ILE B 707 70.467 -2.452 -6.192 1.00 1.00 C ATOM 0 H ILE B 707 72.215 0.488 -4.537 1.00 1.00 H new ATOM 0 HA ILE B 707 72.145 1.165 -7.279 1.00 1.00 H new ATOM 0 HB ILE B 707 70.087 0.017 -5.343 1.00 1.00 H new ATOM 0 HG12 ILE B 707 71.687 -1.321 -7.573 1.00 1.00 H new ATOM 0 HG13 ILE B 707 72.250 -1.260 -5.914 1.00 1.00 H new ATOM 0 HG21 ILE B 707 68.828 -0.657 -7.375 1.00 1.00 H new ATOM 0 HG22 ILE B 707 68.958 1.114 -7.265 1.00 1.00 H new ATOM 0 HG23 ILE B 707 70.001 0.214 -8.391 1.00 1.00 H new ATOM 0 HD11 ILE B 707 71.025 -3.375 -6.347 1.00 1.00 H new ATOM 0 HD12 ILE B 707 70.157 -2.387 -5.149 1.00 1.00 H new ATOM 0 HD13 ILE B 707 69.586 -2.448 -6.833 1.00 1.00 H new ATOM 1061 N GLY B 708 70.215 2.982 -5.317 1.00 1.00 N ATOM 1062 CA GLY B 708 69.435 4.219 -5.289 1.00 1.00 C ATOM 1063 C GLY B 708 70.305 5.439 -5.602 1.00 1.00 C ATOM 1064 O GLY B 708 69.862 6.369 -6.275 1.00 1.00 O ATOM 0 H GLY B 708 70.314 2.518 -4.414 1.00 1.00 H new ATOM 0 HA2 GLY B 708 68.623 4.155 -6.013 1.00 1.00 H new ATOM 0 HA3 GLY B 708 68.977 4.340 -4.307 1.00 1.00 H new ATOM 1068 N LEU B 709 71.535 5.438 -5.092 1.00 1.00 N ATOM 1069 CA LEU B 709 72.471 6.542 -5.302 1.00 1.00 C ATOM 1070 C LEU B 709 72.929 6.694 -6.755 1.00 1.00 C ATOM 1071 O LEU B 709 73.130 7.810 -7.225 1.00 1.00 O ATOM 1072 CB LEU B 709 73.701 6.374 -4.406 1.00 1.00 C ATOM 1073 CG LEU B 709 73.318 6.609 -2.941 1.00 1.00 C ATOM 1074 CD1 LEU B 709 74.494 6.215 -2.047 1.00 1.00 C ATOM 1075 CD2 LEU B 709 72.977 8.089 -2.706 1.00 1.00 C ATOM 0 H LEU B 709 71.910 4.677 -4.525 1.00 1.00 H new ATOM 0 HA LEU B 709 71.924 7.448 -5.041 1.00 1.00 H new ATOM 0 HB2 LEU B 709 74.115 5.373 -4.526 1.00 1.00 H new ATOM 0 HB3 LEU B 709 74.478 7.078 -4.705 1.00 1.00 H new ATOM 0 HG LEU B 709 72.444 6.004 -2.702 1.00 1.00 H new ATOM 0 HD11 LEU B 709 74.228 6.380 -1.003 1.00 1.00 H new ATOM 0 HD12 LEU B 709 74.730 5.162 -2.200 1.00 1.00 H new ATOM 0 HD13 LEU B 709 75.363 6.822 -2.300 1.00 1.00 H new ATOM 0 HD21 LEU B 709 72.707 8.239 -1.661 1.00 1.00 H new ATOM 0 HD22 LEU B 709 73.843 8.705 -2.949 1.00 1.00 H new ATOM 0 HD23 LEU B 709 72.139 8.375 -3.342 1.00 1.00 H new ATOM 1087 N ALA B 710 73.147 5.582 -7.451 1.00 1.00 N ATOM 1088 CA ALA B 710 73.648 5.658 -8.823 1.00 1.00 C ATOM 1089 C ALA B 710 72.788 6.570 -9.706 1.00 1.00 C ATOM 1090 O ALA B 710 73.310 7.536 -10.266 1.00 1.00 O ATOM 1091 CB ALA B 710 73.769 4.260 -9.440 1.00 1.00 C ATOM 0 H ALA B 710 72.990 4.637 -7.100 1.00 1.00 H new ATOM 0 HA ALA B 710 74.642 6.103 -8.774 1.00 1.00 H new ATOM 0 HB1 ALA B 710 74.143 4.344 -10.460 1.00 1.00 H new ATOM 0 HB2 ALA B 710 74.460 3.660 -8.848 1.00 1.00 H new ATOM 0 HB3 ALA B 710 72.790 3.781 -9.451 1.00 1.00 H new ATOM 1097 N PRO B 711 71.501 6.331 -9.842 1.00 1.00 N ATOM 1098 CA PRO B 711 70.637 7.218 -10.674 1.00 1.00 C ATOM 1099 C PRO B 711 70.742 8.677 -10.236 1.00 1.00 C ATOM 1100 O PRO B 711 70.887 9.580 -11.064 1.00 1.00 O ATOM 1101 CB PRO B 711 69.216 6.700 -10.415 1.00 1.00 C ATOM 1102 CG PRO B 711 69.374 5.297 -9.936 1.00 1.00 C ATOM 1103 CD PRO B 711 70.738 5.219 -9.250 1.00 1.00 C ATOM 0 HA PRO B 711 70.925 7.194 -11.725 1.00 1.00 H new ATOM 0 HB2 PRO B 711 68.707 7.312 -9.671 1.00 1.00 H new ATOM 0 HB3 PRO B 711 68.615 6.737 -11.324 1.00 1.00 H new ATOM 0 HG2 PRO B 711 68.576 5.033 -9.242 1.00 1.00 H new ATOM 0 HG3 PRO B 711 69.318 4.595 -10.768 1.00 1.00 H new ATOM 0 HD2 PRO B 711 70.648 5.328 -8.169 1.00 1.00 H new ATOM 0 HD3 PRO B 711 71.223 4.260 -9.434 1.00 1.00 H new ATOM 1111 N LEU B 712 70.681 8.890 -8.924 1.00 1.00 N ATOM 1112 CA LEU B 712 70.784 10.229 -8.360 1.00 1.00 C ATOM 1113 C LEU B 712 72.165 10.823 -8.617 1.00 1.00 C ATOM 1114 O LEU B 712 72.292 11.997 -8.957 1.00 1.00 O ATOM 1115 CB LEU B 712 70.535 10.175 -6.853 1.00 1.00 C ATOM 1116 CG LEU B 712 69.071 9.809 -6.578 1.00 1.00 C ATOM 1117 CD1 LEU B 712 68.879 9.564 -5.077 1.00 1.00 C ATOM 1118 CD2 LEU B 712 68.140 10.943 -7.030 1.00 1.00 C ATOM 0 H LEU B 712 70.561 8.150 -8.232 1.00 1.00 H new ATOM 0 HA LEU B 712 70.035 10.859 -8.840 1.00 1.00 H new ATOM 0 HB2 LEU B 712 71.195 9.440 -6.393 1.00 1.00 H new ATOM 0 HB3 LEU B 712 70.769 11.140 -6.402 1.00 1.00 H new ATOM 0 HG LEU B 712 68.825 8.906 -7.136 1.00 1.00 H new ATOM 0 HD11 LEU B 712 67.839 9.304 -4.881 1.00 1.00 H new ATOM 0 HD12 LEU B 712 69.524 8.746 -4.756 1.00 1.00 H new ATOM 0 HD13 LEU B 712 69.137 10.468 -4.525 1.00 1.00 H new ATOM 0 HD21 LEU B 712 67.105 10.667 -6.828 1.00 1.00 H new ATOM 0 HD22 LEU B 712 68.386 11.854 -6.485 1.00 1.00 H new ATOM 0 HD23 LEU B 712 68.267 11.114 -8.099 1.00 1.00 H new ATOM 1130 N LEU B 713 73.198 10.001 -8.455 1.00 1.00 N ATOM 1131 CA LEU B 713 74.565 10.458 -8.662 1.00 1.00 C ATOM 1132 C LEU B 713 74.782 10.905 -10.101 1.00 1.00 C ATOM 1133 O LEU B 713 75.430 11.919 -10.350 1.00 1.00 O ATOM 1134 CB LEU B 713 75.557 9.343 -8.318 1.00 1.00 C ATOM 1135 CG LEU B 713 75.736 9.253 -6.797 1.00 1.00 C ATOM 1136 CD1 LEU B 713 76.520 7.986 -6.448 1.00 1.00 C ATOM 1137 CD2 LEU B 713 76.500 10.480 -6.275 1.00 1.00 C ATOM 0 H LEU B 713 73.114 9.022 -8.183 1.00 1.00 H new ATOM 0 HA LEU B 713 74.734 11.310 -8.003 1.00 1.00 H new ATOM 0 HB2 LEU B 713 75.196 8.391 -8.707 1.00 1.00 H new ATOM 0 HB3 LEU B 713 76.517 9.539 -8.795 1.00 1.00 H new ATOM 0 HG LEU B 713 74.752 9.221 -6.330 1.00 1.00 H new ATOM 0 HD11 LEU B 713 76.647 7.923 -5.367 1.00 1.00 H new ATOM 0 HD12 LEU B 713 75.974 7.111 -6.801 1.00 1.00 H new ATOM 0 HD13 LEU B 713 77.499 8.020 -6.927 1.00 1.00 H new ATOM 0 HD21 LEU B 713 76.619 10.402 -5.194 1.00 1.00 H new ATOM 0 HD22 LEU B 713 77.482 10.525 -6.746 1.00 1.00 H new ATOM 0 HD23 LEU B 713 75.942 11.385 -6.514 1.00 1.00 H new ATOM 1149 N ILE B 714 74.238 10.145 -11.043 1.00 1.00 N ATOM 1150 CA ILE B 714 74.383 10.488 -12.451 1.00 1.00 C ATOM 1151 C ILE B 714 73.700 11.825 -12.723 1.00 1.00 C ATOM 1152 O ILE B 714 74.255 12.689 -13.393 1.00 1.00 O ATOM 1153 CB ILE B 714 73.756 9.401 -13.328 1.00 1.00 C ATOM 1154 CG1 ILE B 714 74.587 8.118 -13.212 1.00 1.00 C ATOM 1155 CG2 ILE B 714 73.724 9.869 -14.790 1.00 1.00 C ATOM 1156 CD1 ILE B 714 73.829 6.956 -13.853 1.00 1.00 C ATOM 0 H ILE B 714 73.699 9.298 -10.861 1.00 1.00 H new ATOM 0 HA ILE B 714 75.444 10.565 -12.690 1.00 1.00 H new ATOM 0 HB ILE B 714 72.736 9.206 -12.995 1.00 1.00 H new ATOM 0 HG12 ILE B 714 75.551 8.252 -13.703 1.00 1.00 H new ATOM 0 HG13 ILE B 714 74.791 7.898 -12.164 1.00 1.00 H new ATOM 0 HG21 ILE B 714 73.277 9.093 -15.411 1.00 1.00 H new ATOM 0 HG22 ILE B 714 73.132 10.781 -14.867 1.00 1.00 H new ATOM 0 HG23 ILE B 714 74.740 10.066 -15.131 1.00 1.00 H new ATOM 0 HD11 ILE B 714 74.421 6.045 -13.769 1.00 1.00 H new ATOM 0 HD12 ILE B 714 72.876 6.817 -13.342 1.00 1.00 H new ATOM 0 HD13 ILE B 714 73.648 7.176 -14.905 1.00 1.00 H new ATOM 1168 N TRP B 715 72.501 11.989 -12.171 1.00 1.00 N ATOM 1169 CA TRP B 715 71.733 13.223 -12.326 1.00 1.00 C ATOM 1170 C TRP B 715 72.507 14.410 -11.738 1.00 1.00 C ATOM 1171 O TRP B 715 72.657 15.452 -12.380 1.00 1.00 O ATOM 1172 CB TRP B 715 70.390 12.991 -11.609 1.00 1.00 C ATOM 1173 CG TRP B 715 69.611 14.249 -11.393 1.00 1.00 C ATOM 1174 CD1 TRP B 715 69.735 15.402 -12.083 1.00 1.00 C ATOM 1175 CD2 TRP B 715 68.541 14.466 -10.431 1.00 1.00 C ATOM 1176 NE1 TRP B 715 68.832 16.326 -11.575 1.00 1.00 N ATOM 1177 CE2 TRP B 715 68.071 15.790 -10.563 1.00 1.00 C ATOM 1178 CE3 TRP B 715 67.945 13.648 -9.453 1.00 1.00 C ATOM 1179 CZ2 TRP B 715 67.042 16.287 -9.759 1.00 1.00 C ATOM 1180 CZ3 TRP B 715 66.908 14.141 -8.645 1.00 1.00 C ATOM 1181 CH2 TRP B 715 66.459 15.459 -8.797 1.00 1.00 C ATOM 0 H TRP B 715 72.036 11.277 -11.608 1.00 1.00 H new ATOM 0 HA TRP B 715 71.560 13.466 -13.374 1.00 1.00 H new ATOM 0 HB2 TRP B 715 69.789 12.295 -12.194 1.00 1.00 H new ATOM 0 HB3 TRP B 715 70.577 12.518 -10.645 1.00 1.00 H new ATOM 0 HD1 TRP B 715 70.423 15.577 -12.897 1.00 1.00 H new ATOM 0 HE1 TRP B 715 68.744 17.285 -11.911 1.00 1.00 H new ATOM 0 HE3 TRP B 715 68.288 12.632 -9.323 1.00 1.00 H new ATOM 0 HZ2 TRP B 715 66.700 17.304 -9.881 1.00 1.00 H new ATOM 0 HZ3 TRP B 715 66.454 13.501 -7.903 1.00 1.00 H new ATOM 0 HH2 TRP B 715 65.663 15.835 -8.171 1.00 1.00 H new ATOM 1192 N LYS B 716 72.999 14.242 -10.518 1.00 1.00 N ATOM 1193 CA LYS B 716 73.752 15.296 -9.852 1.00 1.00 C ATOM 1194 C LYS B 716 75.000 15.656 -10.658 1.00 1.00 C ATOM 1195 O LYS B 716 75.328 16.836 -10.806 1.00 1.00 O ATOM 1196 CB LYS B 716 74.155 14.830 -8.444 1.00 1.00 C ATOM 1197 CG LYS B 716 74.847 15.965 -7.654 1.00 1.00 C ATOM 1198 CD LYS B 716 73.837 16.793 -6.832 1.00 1.00 C ATOM 1199 CE LYS B 716 73.076 17.792 -7.716 1.00 1.00 C ATOM 1200 NZ LYS B 716 72.734 18.993 -6.907 1.00 1.00 N ATOM 0 H LYS B 716 72.891 13.388 -9.971 1.00 1.00 H new ATOM 0 HA LYS B 716 73.123 16.183 -9.775 1.00 1.00 H new ATOM 0 HB2 LYS B 716 73.271 14.494 -7.903 1.00 1.00 H new ATOM 0 HB3 LYS B 716 74.827 13.975 -8.520 1.00 1.00 H new ATOM 0 HG2 LYS B 716 75.595 15.538 -6.986 1.00 1.00 H new ATOM 0 HG3 LYS B 716 75.375 16.620 -8.347 1.00 1.00 H new ATOM 0 HD2 LYS B 716 73.128 16.124 -6.344 1.00 1.00 H new ATOM 0 HD3 LYS B 716 74.363 17.331 -6.043 1.00 1.00 H new ATOM 0 HE2 LYS B 716 73.686 18.077 -8.573 1.00 1.00 H new ATOM 0 HE3 LYS B 716 72.169 17.332 -8.109 1.00 1.00 H new ATOM 0 HZ1 LYS B 716 73.024 19.851 -7.419 1.00 1.00 H new ATOM 0 HZ2 LYS B 716 71.708 19.019 -6.741 1.00 1.00 H new ATOM 0 HZ3 LYS B 716 73.231 18.950 -5.995 1.00 1.00 H new ATOM 1214 N LEU B 717 75.700 14.646 -11.168 1.00 1.00 N ATOM 1215 CA LEU B 717 76.913 14.900 -11.942 1.00 1.00 C ATOM 1216 C LEU B 717 76.584 15.711 -13.197 1.00 1.00 C ATOM 1217 O LEU B 717 77.302 16.648 -13.551 1.00 1.00 O ATOM 1218 CB LEU B 717 77.557 13.567 -12.334 1.00 1.00 C ATOM 1219 CG LEU B 717 78.818 13.810 -13.170 1.00 1.00 C ATOM 1220 CD1 LEU B 717 79.811 14.678 -12.395 1.00 1.00 C ATOM 1221 CD2 LEU B 717 79.474 12.468 -13.497 1.00 1.00 C ATOM 0 H LEU B 717 75.455 13.661 -11.063 1.00 1.00 H new ATOM 0 HA LEU B 717 77.610 15.474 -11.332 1.00 1.00 H new ATOM 0 HB2 LEU B 717 77.810 13.001 -11.438 1.00 1.00 H new ATOM 0 HB3 LEU B 717 76.847 12.965 -12.901 1.00 1.00 H new ATOM 0 HG LEU B 717 78.538 14.324 -14.089 1.00 1.00 H new ATOM 0 HD11 LEU B 717 80.702 14.842 -13.002 1.00 1.00 H new ATOM 0 HD12 LEU B 717 79.350 15.637 -12.161 1.00 1.00 H new ATOM 0 HD13 LEU B 717 80.090 14.174 -11.470 1.00 1.00 H new ATOM 0 HD21 LEU B 717 80.372 12.637 -14.092 1.00 1.00 H new ATOM 0 HD22 LEU B 717 79.743 11.959 -12.571 1.00 1.00 H new ATOM 0 HD23 LEU B 717 78.776 11.850 -14.061 1.00 1.00 H new ATOM 1233 N LEU B 718 75.509 15.330 -13.878 1.00 1.00 N ATOM 1234 CA LEU B 718 75.111 16.020 -15.099 1.00 1.00 C ATOM 1235 C LEU B 718 74.765 17.480 -14.822 1.00 1.00 C ATOM 1236 O LEU B 718 75.150 18.363 -15.583 1.00 1.00 O ATOM 1237 CB LEU B 718 73.907 15.313 -15.729 1.00 1.00 C ATOM 1238 CG LEU B 718 74.337 13.949 -16.291 1.00 1.00 C ATOM 1239 CD1 LEU B 718 73.093 13.154 -16.687 1.00 1.00 C ATOM 1240 CD2 LEU B 718 75.240 14.131 -17.524 1.00 1.00 C ATOM 0 H LEU B 718 74.903 14.555 -13.609 1.00 1.00 H new ATOM 0 HA LEU B 718 75.953 15.995 -15.791 1.00 1.00 H new ATOM 0 HB2 LEU B 718 73.123 15.178 -14.984 1.00 1.00 H new ATOM 0 HB3 LEU B 718 73.488 15.929 -16.525 1.00 1.00 H new ATOM 0 HG LEU B 718 74.897 13.413 -15.525 1.00 1.00 H new ATOM 0 HD11 LEU B 718 73.392 12.185 -17.087 1.00 1.00 H new ATOM 0 HD12 LEU B 718 72.462 13.006 -15.811 1.00 1.00 H new ATOM 0 HD13 LEU B 718 72.537 13.703 -17.446 1.00 1.00 H new ATOM 0 HD21 LEU B 718 75.534 13.154 -17.907 1.00 1.00 H new ATOM 0 HD22 LEU B 718 74.696 14.675 -18.296 1.00 1.00 H new ATOM 0 HD23 LEU B 718 76.131 14.693 -17.243 1.00 1.00 H new ATOM 1252 N ILE B 719 74.054 17.749 -13.736 1.00 1.00 N ATOM 1253 CA ILE B 719 73.695 19.130 -13.419 1.00 1.00 C ATOM 1254 C ILE B 719 74.949 19.947 -13.171 1.00 1.00 C ATOM 1255 O ILE B 719 75.072 21.077 -13.649 1.00 1.00 O ATOM 1256 CB ILE B 719 72.836 19.184 -12.153 1.00 1.00 C ATOM 1257 CG1 ILE B 719 71.470 18.552 -12.418 1.00 1.00 C ATOM 1258 CG2 ILE B 719 72.648 20.643 -11.723 1.00 1.00 C ATOM 1259 CD1 ILE B 719 70.742 18.354 -11.084 1.00 1.00 C ATOM 0 H ILE B 719 73.720 17.051 -13.072 1.00 1.00 H new ATOM 0 HA ILE B 719 73.137 19.535 -14.263 1.00 1.00 H new ATOM 0 HB ILE B 719 73.338 18.630 -11.360 1.00 1.00 H new ATOM 0 HG12 ILE B 719 70.881 19.191 -13.076 1.00 1.00 H new ATOM 0 HG13 ILE B 719 71.590 17.595 -12.926 1.00 1.00 H new ATOM 0 HG21 ILE B 719 72.036 20.681 -10.822 1.00 1.00 H new ATOM 0 HG22 ILE B 719 73.621 21.091 -11.520 1.00 1.00 H new ATOM 0 HG23 ILE B 719 72.153 21.197 -12.521 1.00 1.00 H new ATOM 0 HD11 ILE B 719 69.766 17.903 -11.265 1.00 1.00 H new ATOM 0 HD12 ILE B 719 71.331 17.699 -10.442 1.00 1.00 H new ATOM 0 HD13 ILE B 719 70.611 19.319 -10.594 1.00 1.00 H new ATOM 1271 N THR B 720 75.876 19.379 -12.405 1.00 1.00 N ATOM 1272 CA THR B 720 77.097 20.100 -12.079 1.00 1.00 C ATOM 1273 C THR B 720 77.867 20.468 -13.342 1.00 1.00 C ATOM 1274 O THR B 720 78.333 21.601 -13.477 1.00 1.00 O ATOM 1275 CB THR B 720 77.980 19.232 -11.175 1.00 1.00 C ATOM 1276 OG1 THR B 720 77.291 18.959 -9.968 1.00 1.00 O ATOM 1277 CG2 THR B 720 79.278 19.967 -10.859 1.00 1.00 C ATOM 0 H THR B 720 75.807 18.442 -12.007 1.00 1.00 H new ATOM 0 HA THR B 720 76.826 21.019 -11.560 1.00 1.00 H new ATOM 0 HB THR B 720 78.210 18.298 -11.688 1.00 1.00 H new ATOM 0 HG1 THR B 720 76.613 18.269 -10.127 1.00 1.00 H new ATOM 0 HG21 THR B 720 79.901 19.345 -10.216 1.00 1.00 H new ATOM 0 HG22 THR B 720 79.811 20.179 -11.786 1.00 1.00 H new ATOM 0 HG23 THR B 720 79.051 20.903 -10.349 1.00 1.00 H new ATOM 1285 N ILE B 721 78.034 19.521 -14.257 1.00 1.00 N ATOM 1286 CA ILE B 721 78.789 19.787 -15.474 1.00 1.00 C ATOM 1287 C ILE B 721 78.140 20.871 -16.331 1.00 1.00 C ATOM 1288 O ILE B 721 78.823 21.767 -16.835 1.00 1.00 O ATOM 1289 CB ILE B 721 78.911 18.500 -16.294 1.00 1.00 C ATOM 1290 CG1 ILE B 721 79.804 17.503 -15.544 1.00 1.00 C ATOM 1291 CG2 ILE B 721 79.527 18.825 -17.657 1.00 1.00 C ATOM 1292 CD1 ILE B 721 79.724 16.127 -16.210 1.00 1.00 C ATOM 0 H ILE B 721 77.662 18.574 -14.181 1.00 1.00 H new ATOM 0 HA ILE B 721 79.775 20.144 -15.176 1.00 1.00 H new ATOM 0 HB ILE B 721 77.924 18.060 -16.440 1.00 1.00 H new ATOM 0 HG12 ILE B 721 80.835 17.856 -15.542 1.00 1.00 H new ATOM 0 HG13 ILE B 721 79.489 17.431 -14.503 1.00 1.00 H new ATOM 0 HG21 ILE B 721 79.615 17.911 -18.244 1.00 1.00 H new ATOM 0 HG22 ILE B 721 78.889 19.534 -18.185 1.00 1.00 H new ATOM 0 HG23 ILE B 721 80.515 19.262 -17.515 1.00 1.00 H new ATOM 0 HD11 ILE B 721 80.361 15.425 -15.672 1.00 1.00 H new ATOM 0 HD12 ILE B 721 78.694 15.772 -16.189 1.00 1.00 H new ATOM 0 HD13 ILE B 721 80.061 16.203 -17.244 1.00 1.00 H new ATOM 1304 N HIS B 722 76.822 20.796 -16.482 1.00 1.00 N ATOM 1305 CA HIS B 722 76.097 21.784 -17.269 1.00 1.00 C ATOM 1306 C HIS B 722 76.201 23.159 -16.604 1.00 1.00 C ATOM 1307 O HIS B 722 76.395 24.169 -17.275 1.00 1.00 O ATOM 1308 CB HIS B 722 74.626 21.373 -17.392 1.00 1.00 C ATOM 1309 CG HIS B 722 74.497 20.254 -18.392 1.00 1.00 C ATOM 1310 ND1 HIS B 722 74.809 18.940 -18.082 1.00 1.00 N ATOM 1311 CD2 HIS B 722 74.091 20.241 -19.705 1.00 1.00 C ATOM 1312 CE1 HIS B 722 74.588 18.198 -19.186 1.00 1.00 C ATOM 1313 NE2 HIS B 722 74.149 18.944 -20.202 1.00 1.00 N ATOM 0 H HIS B 722 76.238 20.066 -16.073 1.00 1.00 H new ATOM 0 HA HIS B 722 76.536 21.838 -18.265 1.00 1.00 H new ATOM 0 HB2 HIS B 722 74.245 21.054 -16.422 1.00 1.00 H new ATOM 0 HB3 HIS B 722 74.024 22.226 -17.706 1.00 1.00 H new ATOM 0 HD1 HIS B 722 75.145 18.596 -17.182 1.00 1.00 H new ATOM 0 HD2 HIS B 722 73.775 21.108 -20.266 1.00 1.00 H new ATOM 0 HE1 HIS B 722 74.747 17.131 -19.241 1.00 1.00 H new