USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 554 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 11 THR OG1 : rot 23:sc= 0.312 USER MOD Single : A 14 SER OG : rot -73:sc= -0.713 USER MOD Single : A 22 CYS SG : rot -150:sc= -4.78! USER MOD Single : A 26 HIS : no HE2:sc= -0.854 K(o=-0.85,f=-3.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0552 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 132:sc= -3.14! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -0.549! C(o=-0.55!,f=-5.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -2.95 K(o=-2.9,f=-3.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -170:sc= 0 USER MOD Single : A 81 THR OG1 : rot 84:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.259 -12.741 -2.648 1.00 0.00 N ATOM 137 CA THR A 11 4.765 -12.994 -1.296 1.00 0.00 C ATOM 138 C THR A 11 4.691 -11.725 -0.452 1.00 0.00 C ATOM 139 O THR A 11 4.738 -10.617 -0.970 1.00 0.00 O ATOM 140 CB THR A 11 6.210 -13.480 -1.374 1.00 0.00 C ATOM 141 OG1 THR A 11 6.306 -14.512 -2.348 1.00 0.00 O ATOM 142 CG2 THR A 11 6.638 -14.021 -0.013 1.00 0.00 C ATOM 0 HA THR A 11 4.148 -13.760 -0.827 1.00 0.00 H new ATOM 0 HB THR A 11 6.861 -12.652 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.564 -14.433 -2.983 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.670 -14.368 -0.068 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.560 -13.231 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.990 -14.851 0.269 1.00 0.00 H new ATOM 150 N LEU A 12 4.572 -11.898 0.851 1.00 0.00 N ATOM 151 CA LEU A 12 4.468 -10.759 1.754 1.00 0.00 C ATOM 152 C LEU A 12 5.531 -9.716 1.431 1.00 0.00 C ATOM 153 O LEU A 12 5.273 -8.511 1.487 1.00 0.00 O ATOM 154 CB LEU A 12 4.658 -11.234 3.203 1.00 0.00 C ATOM 155 CG LEU A 12 3.365 -11.863 3.721 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.070 -13.147 2.934 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.519 -12.205 5.206 1.00 0.00 C ATOM 0 H LEU A 12 4.545 -12.809 1.309 1.00 0.00 H new ATOM 0 HA LEU A 12 3.482 -10.310 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.470 -11.959 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.942 -10.393 3.836 1.00 0.00 H new ATOM 0 HG LEU A 12 2.544 -11.157 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.148 -13.596 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.959 -12.908 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.893 -13.850 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.596 -12.653 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.341 -12.910 5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.730 -11.296 5.769 1.00 0.00 H new ATOM 169 N ASP A 13 6.722 -10.183 1.101 1.00 0.00 N ATOM 170 CA ASP A 13 7.814 -9.276 0.783 1.00 0.00 C ATOM 171 C ASP A 13 7.526 -8.500 -0.492 1.00 0.00 C ATOM 172 O ASP A 13 7.828 -7.317 -0.570 1.00 0.00 O ATOM 173 CB ASP A 13 9.116 -10.049 0.597 1.00 0.00 C ATOM 174 CG ASP A 13 9.219 -11.150 1.651 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.792 -10.913 2.769 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.706 -12.220 1.320 1.00 0.00 O ATOM 0 H ASP A 13 6.958 -11.174 1.046 1.00 0.00 H new ATOM 0 HA ASP A 13 7.911 -8.580 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.152 -10.484 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.966 -9.372 0.680 1.00 0.00 H new ATOM 181 N SER A 14 6.938 -9.169 -1.487 1.00 0.00 N ATOM 182 CA SER A 14 6.626 -8.515 -2.751 1.00 0.00 C ATOM 183 C SER A 14 5.585 -7.419 -2.552 1.00 0.00 C ATOM 184 O SER A 14 5.657 -6.358 -3.180 1.00 0.00 O ATOM 185 CB SER A 14 6.129 -9.540 -3.751 1.00 0.00 C ATOM 186 OG SER A 14 4.969 -10.188 -3.242 1.00 0.00 O ATOM 0 H SER A 14 6.672 -10.153 -1.439 1.00 0.00 H new ATOM 0 HA SER A 14 7.534 -8.052 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.899 -9.054 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.909 -10.275 -3.950 1.00 0.00 H new ATOM 0 HG SER A 14 5.226 -10.800 -2.521 1.00 0.00 H new ATOM 192 N LEU A 15 4.611 -7.669 -1.694 1.00 0.00 N ATOM 193 CA LEU A 15 3.581 -6.676 -1.440 1.00 0.00 C ATOM 194 C LEU A 15 4.156 -5.554 -0.593 1.00 0.00 C ATOM 195 O LEU A 15 4.305 -4.428 -1.059 1.00 0.00 O ATOM 196 CB LEU A 15 2.391 -7.336 -0.716 1.00 0.00 C ATOM 197 CG LEU A 15 1.531 -8.107 -1.715 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.404 -8.934 -2.650 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.622 -9.060 -0.946 1.00 0.00 C ATOM 0 H LEU A 15 4.511 -8.537 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 15 3.231 -6.262 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.755 -8.011 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.790 -6.575 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 15 0.950 -7.394 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.772 -9.476 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.076 -8.274 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.990 -9.645 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.002 -9.617 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.230 -9.756 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.017 -8.489 -0.272 1.00 0.00 H new ATOM 211 N ARG A 16 4.479 -5.866 0.649 1.00 0.00 N ATOM 212 CA ARG A 16 5.015 -4.856 1.552 1.00 0.00 C ATOM 213 C ARG A 16 5.923 -3.873 0.799 1.00 0.00 C ATOM 214 O ARG A 16 5.732 -2.646 0.869 1.00 0.00 O ATOM 215 CB ARG A 16 5.821 -5.543 2.650 1.00 0.00 C ATOM 216 CG ARG A 16 6.513 -4.486 3.551 1.00 0.00 C ATOM 217 CD ARG A 16 7.989 -4.323 3.156 1.00 0.00 C ATOM 218 NE ARG A 16 8.676 -3.498 4.131 1.00 0.00 N ATOM 219 CZ ARG A 16 9.896 -3.046 3.893 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.494 -3.340 2.770 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.500 -2.310 4.780 1.00 0.00 N ATOM 0 H ARG A 16 4.383 -6.797 1.054 1.00 0.00 H new ATOM 0 HA ARG A 16 4.183 -4.299 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.165 -6.172 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.570 -6.198 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.999 -3.529 3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.442 -4.788 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.467 -5.301 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.061 -3.869 2.168 1.00 0.00 H new ATOM 0 HE ARG A 16 8.214 -3.264 5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.020 -3.918 2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.435 -2.991 2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.033 -2.082 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.441 -1.961 4.598 1.00 0.00 H new ATOM 235 N VAL A 17 6.898 -4.417 0.068 1.00 0.00 N ATOM 236 CA VAL A 17 7.819 -3.584 -0.700 1.00 0.00 C ATOM 237 C VAL A 17 7.040 -2.762 -1.725 1.00 0.00 C ATOM 238 O VAL A 17 7.351 -1.596 -1.967 1.00 0.00 O ATOM 239 CB VAL A 17 8.846 -4.469 -1.418 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.592 -5.357 -0.388 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.113 -5.349 -2.419 1.00 0.00 C ATOM 0 H VAL A 17 7.068 -5.420 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 17 8.341 -2.909 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 17 9.575 -3.844 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.319 -5.982 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.107 -4.723 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.875 -5.991 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.830 -5.985 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.389 -5.972 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.594 -4.721 -3.143 1.00 0.00 H new ATOM 251 N TRP A 18 6.024 -3.371 -2.333 1.00 0.00 N ATOM 252 CA TRP A 18 5.225 -2.659 -3.322 1.00 0.00 C ATOM 253 C TRP A 18 4.622 -1.393 -2.711 1.00 0.00 C ATOM 254 O TRP A 18 4.723 -0.318 -3.283 1.00 0.00 O ATOM 255 CB TRP A 18 4.094 -3.581 -3.848 1.00 0.00 C ATOM 256 CG TRP A 18 2.744 -3.075 -3.399 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.003 -3.575 -2.371 1.00 0.00 C ATOM 258 CD2 TRP A 18 1.974 -1.967 -3.933 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.862 -2.843 -2.243 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.789 -1.845 -3.173 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.181 -1.054 -4.984 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.147 -0.877 -3.442 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.229 -0.076 -5.255 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.071 0.012 -4.477 1.00 0.00 C ATOM 0 H TRP A 18 5.740 -4.336 -2.162 1.00 0.00 H new ATOM 0 HA TRP A 18 5.871 -2.372 -4.152 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.129 -3.624 -4.937 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.247 -4.597 -3.484 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.277 -4.419 -1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.147 -3.019 -1.537 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.079 -1.113 -5.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.047 -0.811 -2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.385 0.617 -6.069 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.658 0.780 -4.686 1.00 0.00 H new ATOM 275 N LEU A 19 3.981 -1.548 -1.558 1.00 0.00 N ATOM 276 CA LEU A 19 3.334 -0.420 -0.898 1.00 0.00 C ATOM 277 C LEU A 19 4.317 0.712 -0.674 1.00 0.00 C ATOM 278 O LEU A 19 4.150 1.804 -1.225 1.00 0.00 O ATOM 279 CB LEU A 19 2.759 -0.890 0.453 1.00 0.00 C ATOM 280 CG LEU A 19 1.215 -1.044 0.386 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.778 -2.275 1.163 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.542 0.212 0.969 1.00 0.00 C ATOM 0 H LEU A 19 3.896 -2.436 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 19 2.531 -0.050 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.210 -1.843 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.022 -0.174 1.231 1.00 0.00 H new ATOM 0 HG LEU A 19 0.914 -1.161 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.306 -2.373 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.244 -3.161 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.082 -2.175 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.541 0.100 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.847 0.339 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.843 1.087 0.392 1.00 0.00 H new ATOM 294 N VAL A 20 5.334 0.458 0.132 1.00 0.00 N ATOM 295 CA VAL A 20 6.315 1.489 0.417 1.00 0.00 C ATOM 296 C VAL A 20 6.902 2.024 -0.877 1.00 0.00 C ATOM 297 O VAL A 20 6.974 3.236 -1.078 1.00 0.00 O ATOM 298 CB VAL A 20 7.422 0.904 1.298 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.012 -0.342 0.630 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.522 1.944 1.495 1.00 0.00 C ATOM 0 H VAL A 20 5.500 -0.437 0.593 1.00 0.00 H new ATOM 0 HA VAL A 20 5.832 2.312 0.943 1.00 0.00 H new ATOM 0 HB VAL A 20 7.002 0.630 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.799 -0.755 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.228 -1.087 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.429 -0.072 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.309 1.526 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.938 2.221 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.105 2.828 1.977 1.00 0.00 H new ATOM 310 N ASP A 21 7.325 1.123 -1.749 1.00 0.00 N ATOM 311 CA ASP A 21 7.912 1.536 -3.010 1.00 0.00 C ATOM 312 C ASP A 21 6.942 2.429 -3.775 1.00 0.00 C ATOM 313 O ASP A 21 7.356 3.363 -4.465 1.00 0.00 O ATOM 314 CB ASP A 21 8.253 0.302 -3.850 1.00 0.00 C ATOM 315 CG ASP A 21 8.775 0.721 -5.219 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.043 1.897 -5.394 1.00 0.00 O ATOM 317 OD2 ASP A 21 8.895 -0.141 -6.076 1.00 0.00 O ATOM 0 H ASP A 21 7.274 0.114 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 21 8.824 2.098 -2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.002 -0.300 -3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.367 -0.323 -3.967 1.00 0.00 H new ATOM 322 N CYS A 22 5.653 2.144 -3.641 1.00 0.00 N ATOM 323 CA CYS A 22 4.639 2.935 -4.315 1.00 0.00 C ATOM 324 C CYS A 22 4.697 4.377 -3.831 1.00 0.00 C ATOM 325 O CYS A 22 4.685 5.314 -4.629 1.00 0.00 O ATOM 326 CB CYS A 22 3.232 2.341 -4.040 1.00 0.00 C ATOM 327 SG CYS A 22 2.207 3.468 -3.045 1.00 0.00 S ATOM 0 H CYS A 22 5.290 1.377 -3.076 1.00 0.00 H new ATOM 0 HA CYS A 22 4.829 2.913 -5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.733 2.136 -4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.335 1.388 -3.520 1.00 0.00 H new ATOM 0 HG CYS A 22 1.374 2.776 -2.326 1.00 0.00 H new ATOM 333 N VAL A 23 4.735 4.542 -2.511 1.00 0.00 N ATOM 334 CA VAL A 23 4.763 5.877 -1.940 1.00 0.00 C ATOM 335 C VAL A 23 6.062 6.587 -2.318 1.00 0.00 C ATOM 336 O VAL A 23 6.047 7.701 -2.841 1.00 0.00 O ATOM 337 CB VAL A 23 4.666 5.799 -0.425 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.458 7.208 0.169 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.498 4.898 -0.018 1.00 0.00 C ATOM 0 H VAL A 23 4.747 3.781 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 23 3.915 6.437 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 23 5.596 5.380 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.390 7.139 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.300 7.845 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.537 7.637 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.438 4.849 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.568 5.306 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.655 3.896 -0.418 1.00 0.00 H new ATOM 349 N ALA A 24 7.196 5.939 -2.053 1.00 0.00 N ATOM 350 CA ALA A 24 8.490 6.529 -2.374 1.00 0.00 C ATOM 351 C ALA A 24 8.471 7.104 -3.782 1.00 0.00 C ATOM 352 O ALA A 24 8.786 8.269 -3.984 1.00 0.00 O ATOM 353 CB ALA A 24 9.579 5.462 -2.275 1.00 0.00 C ATOM 0 H ALA A 24 7.243 5.016 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 24 8.697 7.331 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.545 5.905 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.605 5.062 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.364 4.657 -2.978 1.00 0.00 H new ATOM 359 N GLY A 25 8.106 6.278 -4.752 1.00 0.00 N ATOM 360 CA GLY A 25 8.053 6.734 -6.136 1.00 0.00 C ATOM 361 C GLY A 25 7.023 7.846 -6.297 1.00 0.00 C ATOM 362 O GLY A 25 7.268 8.838 -6.985 1.00 0.00 O ATOM 0 H GLY A 25 7.845 5.302 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.035 7.094 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.800 5.899 -6.790 1.00 0.00 H new ATOM 366 N HIS A 26 5.865 7.674 -5.667 1.00 0.00 N ATOM 367 CA HIS A 26 4.808 8.670 -5.765 1.00 0.00 C ATOM 368 C HIS A 26 5.319 10.044 -5.351 1.00 0.00 C ATOM 369 O HIS A 26 5.190 11.009 -6.103 1.00 0.00 O ATOM 370 CB HIS A 26 3.643 8.280 -4.847 1.00 0.00 C ATOM 371 CG HIS A 26 2.671 9.420 -4.721 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.461 10.323 -5.745 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.871 9.825 -3.684 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.567 11.228 -5.310 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.172 10.970 -4.058 1.00 0.00 N ATOM 0 H HIS A 26 5.638 6.864 -5.090 1.00 0.00 H new ATOM 0 HA HIS A 26 4.474 8.710 -6.802 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.135 7.403 -5.247 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.023 8.007 -3.862 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.904 10.306 -6.664 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.795 9.333 -2.726 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.211 12.061 -5.899 1.00 0.00 H new ATOM 384 N LEU A 27 5.887 10.139 -4.151 1.00 0.00 N ATOM 385 CA LEU A 27 6.389 11.422 -3.672 1.00 0.00 C ATOM 386 C LEU A 27 7.803 11.676 -4.179 1.00 0.00 C ATOM 387 O LEU A 27 8.178 12.811 -4.454 1.00 0.00 O ATOM 388 CB LEU A 27 6.371 11.402 -2.143 1.00 0.00 C ATOM 389 CG LEU A 27 4.941 11.643 -1.626 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.837 11.195 -0.165 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.582 13.139 -1.714 1.00 0.00 C ATOM 0 H LEU A 27 6.009 9.359 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 27 5.755 12.226 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.740 10.443 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.041 12.169 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 27 4.250 11.069 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.823 11.367 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.073 10.133 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.541 11.765 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.568 13.292 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.280 13.717 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.644 13.468 -2.751 1.00 0.00 H new ATOM 403 N GLY A 28 8.580 10.609 -4.298 1.00 0.00 N ATOM 404 CA GLY A 28 9.962 10.704 -4.769 1.00 0.00 C ATOM 405 C GLY A 28 10.956 10.663 -3.609 1.00 0.00 C ATOM 406 O GLY A 28 12.167 10.659 -3.825 1.00 0.00 O ATOM 0 H GLY A 28 8.278 9.661 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.170 9.884 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.093 11.630 -5.329 1.00 0.00 H new ATOM 410 N LEU A 29 10.446 10.632 -2.383 1.00 0.00 N ATOM 411 CA LEU A 29 11.303 10.593 -1.203 1.00 0.00 C ATOM 412 C LEU A 29 11.981 9.235 -1.092 1.00 0.00 C ATOM 413 O LEU A 29 11.823 8.380 -1.964 1.00 0.00 O ATOM 414 CB LEU A 29 10.484 10.866 0.060 1.00 0.00 C ATOM 415 CG LEU A 29 9.759 12.205 -0.079 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.867 12.433 1.145 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.778 13.353 -0.201 1.00 0.00 C ATOM 0 H LEU A 29 9.446 10.633 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 29 12.065 11.366 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.762 10.065 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.137 10.883 0.933 1.00 0.00 H new ATOM 0 HG LEU A 29 9.145 12.184 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.350 13.388 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.134 11.629 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.481 12.445 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.248 14.301 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.405 13.379 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.402 13.193 -1.080 1.00 0.00 H new ATOM 429 N ASP A 30 12.738 9.044 -0.020 1.00 0.00 N ATOM 430 CA ASP A 30 13.438 7.781 0.198 1.00 0.00 C ATOM 431 C ASP A 30 12.523 6.763 0.868 1.00 0.00 C ATOM 432 O ASP A 30 11.861 7.067 1.860 1.00 0.00 O ATOM 433 CB ASP A 30 14.672 8.012 1.068 1.00 0.00 C ATOM 434 CG ASP A 30 15.437 6.708 1.246 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.927 5.683 0.825 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.524 6.752 1.798 1.00 0.00 O ATOM 0 H ASP A 30 12.884 9.742 0.710 1.00 0.00 H new ATOM 0 HA ASP A 30 13.745 7.389 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.316 8.761 0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.373 8.403 2.040 1.00 0.00 H new ATOM 441 N ALA A 31 12.491 5.555 0.317 1.00 0.00 N ATOM 442 CA ALA A 31 11.652 4.493 0.862 1.00 0.00 C ATOM 443 C ALA A 31 12.031 4.175 2.302 1.00 0.00 C ATOM 444 O ALA A 31 11.165 3.861 3.125 1.00 0.00 O ATOM 445 CB ALA A 31 11.788 3.230 0.015 1.00 0.00 C ATOM 0 H ALA A 31 13.034 5.287 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 31 10.619 4.842 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.158 2.444 0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.476 3.442 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.827 2.901 0.017 1.00 0.00 H new ATOM 451 N ALA A 32 13.320 4.278 2.609 1.00 0.00 N ATOM 452 CA ALA A 32 13.799 3.990 3.953 1.00 0.00 C ATOM 453 C ALA A 32 13.240 4.971 4.970 1.00 0.00 C ATOM 454 O ALA A 32 13.289 4.718 6.174 1.00 0.00 O ATOM 455 CB ALA A 32 15.326 4.048 3.974 1.00 0.00 C ATOM 0 H ALA A 32 14.046 4.557 1.949 1.00 0.00 H new ATOM 0 HA ALA A 32 13.457 2.992 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.684 3.832 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.728 3.310 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.656 5.043 3.677 1.00 0.00 H new ATOM 461 N THR A 33 12.711 6.088 4.487 1.00 0.00 N ATOM 462 CA THR A 33 12.147 7.102 5.373 1.00 0.00 C ATOM 463 C THR A 33 10.808 7.585 4.845 1.00 0.00 C ATOM 464 O THR A 33 10.465 8.762 4.961 1.00 0.00 O ATOM 465 CB THR A 33 13.127 8.276 5.509 1.00 0.00 C ATOM 466 OG1 THR A 33 13.777 8.485 4.267 1.00 0.00 O ATOM 467 CG2 THR A 33 14.175 7.952 6.582 1.00 0.00 C ATOM 0 H THR A 33 12.660 6.315 3.494 1.00 0.00 H new ATOM 0 HA THR A 33 11.985 6.661 6.357 1.00 0.00 H new ATOM 0 HB THR A 33 12.581 9.174 5.797 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.403 9.235 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.869 8.787 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.678 7.784 7.537 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.724 7.055 6.296 1.00 0.00 H new ATOM 475 N ILE A 34 10.042 6.674 4.274 1.00 0.00 N ATOM 476 CA ILE A 34 8.737 7.060 3.761 1.00 0.00 C ATOM 477 C ILE A 34 7.758 7.273 4.908 1.00 0.00 C ATOM 478 O ILE A 34 7.384 8.402 5.224 1.00 0.00 O ATOM 479 CB ILE A 34 8.216 5.973 2.782 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.594 6.369 1.346 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.690 5.795 2.857 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.745 7.559 0.855 1.00 0.00 C ATOM 0 H ILE A 34 10.288 5.691 4.155 1.00 0.00 H new ATOM 0 HA ILE A 34 8.829 8.001 3.219 1.00 0.00 H new ATOM 0 HB ILE A 34 8.677 5.028 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.651 6.631 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.450 5.517 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.379 5.024 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.407 5.499 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.201 6.736 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.035 7.817 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.690 7.286 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.909 8.417 1.507 1.00 0.00 H new ATOM 494 N ALA A 35 7.320 6.173 5.499 1.00 0.00 N ATOM 495 CA ALA A 35 6.343 6.225 6.577 1.00 0.00 C ATOM 496 C ALA A 35 5.724 4.846 6.793 1.00 0.00 C ATOM 497 O ALA A 35 4.633 4.735 7.345 1.00 0.00 O ATOM 498 CB ALA A 35 5.228 7.240 6.239 1.00 0.00 C ATOM 0 H ALA A 35 7.625 5.232 5.251 1.00 0.00 H new ATOM 0 HA ALA A 35 6.851 6.539 7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.504 7.269 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.665 8.230 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.728 6.938 5.319 1.00 0.00 H new ATOM 504 N THR A 36 6.401 3.794 6.347 1.00 0.00 N ATOM 505 CA THR A 36 5.874 2.438 6.499 1.00 0.00 C ATOM 506 C THR A 36 5.175 2.270 7.838 1.00 0.00 C ATOM 507 O THR A 36 4.172 1.565 7.935 1.00 0.00 O ATOM 508 CB THR A 36 7.027 1.436 6.415 1.00 0.00 C ATOM 509 OG1 THR A 36 7.820 1.545 7.590 1.00 0.00 O ATOM 510 CG2 THR A 36 7.895 1.739 5.191 1.00 0.00 C ATOM 0 H THR A 36 7.307 3.849 5.882 1.00 0.00 H new ATOM 0 HA THR A 36 5.152 2.260 5.702 1.00 0.00 H new ATOM 0 HB THR A 36 6.624 0.427 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.561 0.905 7.545 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.714 1.021 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.289 1.665 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.301 2.747 5.274 1.00 0.00 H new ATOM 518 N ASP A 37 5.696 2.922 8.872 1.00 0.00 N ATOM 519 CA ASP A 37 5.094 2.841 10.198 1.00 0.00 C ATOM 520 C ASP A 37 4.190 4.044 10.444 1.00 0.00 C ATOM 521 O ASP A 37 3.330 4.012 11.321 1.00 0.00 O ATOM 522 CB ASP A 37 6.203 2.815 11.250 1.00 0.00 C ATOM 523 CG ASP A 37 7.127 4.023 11.079 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.921 4.778 10.142 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.027 4.171 11.888 1.00 0.00 O ATOM 0 H ASP A 37 6.529 3.509 8.819 1.00 0.00 H new ATOM 0 HA ASP A 37 4.495 1.932 10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.766 2.821 12.249 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.778 1.893 11.159 1.00 0.00 H new ATOM 530 N LEU A 38 4.387 5.109 9.666 1.00 0.00 N ATOM 531 CA LEU A 38 3.577 6.317 9.819 1.00 0.00 C ATOM 532 C LEU A 38 2.427 6.323 8.811 1.00 0.00 C ATOM 533 O LEU A 38 2.532 5.738 7.732 1.00 0.00 O ATOM 534 CB LEU A 38 4.454 7.564 9.613 1.00 0.00 C ATOM 535 CG LEU A 38 5.216 7.890 10.910 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.485 8.666 10.571 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.338 8.730 11.841 1.00 0.00 C ATOM 0 H LEU A 38 5.093 5.160 8.931 1.00 0.00 H new ATOM 0 HA LEU A 38 3.160 6.330 10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.160 7.393 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.833 8.412 9.323 1.00 0.00 H new ATOM 0 HG LEU A 38 5.477 6.959 11.413 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.026 8.898 11.489 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.117 8.063 9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.220 9.593 10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.888 8.954 12.755 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.066 9.661 11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.434 8.174 12.089 1.00 0.00 H new ATOM 549 N PRO A 39 1.344 6.979 9.139 1.00 0.00 N ATOM 550 CA PRO A 39 0.162 7.075 8.243 1.00 0.00 C ATOM 551 C PRO A 39 0.469 7.882 6.980 1.00 0.00 C ATOM 552 O PRO A 39 1.553 8.449 6.836 1.00 0.00 O ATOM 553 CB PRO A 39 -0.903 7.776 9.110 1.00 0.00 C ATOM 554 CG PRO A 39 -0.130 8.523 10.150 1.00 0.00 C ATOM 555 CD PRO A 39 1.125 7.700 10.406 1.00 0.00 C ATOM 0 HA PRO A 39 -0.163 6.099 7.882 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.515 8.452 8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.579 7.052 9.565 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.124 9.525 9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.714 8.639 11.063 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.975 8.335 10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.987 7.010 11.239 1.00 0.00 H new ATOM 563 N LEU A 40 -0.500 7.926 6.077 1.00 0.00 N ATOM 564 CA LEU A 40 -0.345 8.671 4.836 1.00 0.00 C ATOM 565 C LEU A 40 -0.418 10.173 5.096 1.00 0.00 C ATOM 566 O LEU A 40 0.097 10.973 4.318 1.00 0.00 O ATOM 567 CB LEU A 40 -1.431 8.263 3.829 1.00 0.00 C ATOM 568 CG LEU A 40 -2.808 8.785 4.282 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.838 8.519 3.191 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.227 8.086 5.577 1.00 0.00 C ATOM 0 H LEU A 40 -1.399 7.456 6.180 1.00 0.00 H new ATOM 0 HA LEU A 40 0.634 8.436 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.190 8.662 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.459 7.177 3.735 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.746 9.858 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.812 8.889 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.539 9.031 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.901 7.447 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.201 8.459 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.287 7.011 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.491 8.290 6.355 1.00 0.00 H new ATOM 582 N THR A 41 -1.077 10.541 6.192 1.00 0.00 N ATOM 583 CA THR A 41 -1.233 11.945 6.538 1.00 0.00 C ATOM 584 C THR A 41 0.109 12.649 6.519 1.00 0.00 C ATOM 585 O THR A 41 0.196 13.820 6.160 1.00 0.00 O ATOM 586 CB THR A 41 -1.854 12.081 7.926 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.085 11.331 8.854 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.290 11.558 7.901 1.00 0.00 C ATOM 0 H THR A 41 -1.507 9.890 6.849 1.00 0.00 H new ATOM 0 HA THR A 41 -1.889 12.406 5.800 1.00 0.00 H new ATOM 0 HB THR A 41 -1.864 13.130 8.223 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.478 11.416 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.730 11.656 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.875 12.135 7.185 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.290 10.509 7.607 1.00 0.00 H new ATOM 596 N SER A 42 1.159 11.936 6.914 1.00 0.00 N ATOM 597 CA SER A 42 2.496 12.514 6.940 1.00 0.00 C ATOM 598 C SER A 42 2.792 13.249 5.635 1.00 0.00 C ATOM 599 O SER A 42 3.546 14.222 5.619 1.00 0.00 O ATOM 600 CB SER A 42 3.534 11.402 7.143 1.00 0.00 C ATOM 601 OG SER A 42 4.823 11.900 6.808 1.00 0.00 O ATOM 0 H SER A 42 1.110 10.964 7.218 1.00 0.00 H new ATOM 0 HA SER A 42 2.549 13.226 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.521 11.060 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.290 10.542 6.520 1.00 0.00 H new ATOM 0 HG SER A 42 5.490 11.194 6.937 1.00 0.00 H new ATOM 607 N TYR A 43 2.199 12.784 4.541 1.00 0.00 N ATOM 608 CA TYR A 43 2.415 13.412 3.240 1.00 0.00 C ATOM 609 C TYR A 43 1.622 14.706 3.121 1.00 0.00 C ATOM 610 O TYR A 43 1.822 15.480 2.187 1.00 0.00 O ATOM 611 CB TYR A 43 1.993 12.439 2.133 1.00 0.00 C ATOM 612 CG TYR A 43 2.535 11.052 2.423 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.850 10.882 2.881 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.717 9.930 2.233 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.337 9.605 3.152 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.216 8.651 2.506 1.00 0.00 C ATOM 617 CZ TYR A 43 3.517 8.491 2.964 1.00 0.00 C ATOM 618 OH TYR A 43 3.989 7.228 3.231 1.00 0.00 O ATOM 0 H TYR A 43 1.570 11.981 4.527 1.00 0.00 H new ATOM 0 HA TYR A 43 3.473 13.653 3.139 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.906 12.406 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.364 12.789 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.486 11.743 3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.705 10.052 1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.349 9.477 3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.587 7.785 2.360 1.00 0.00 H new ATOM 0 HH TYR A 43 3.335 6.743 3.776 1.00 0.00 H new ATOM 628 N GLY A 44 0.745 14.943 4.078 1.00 0.00 N ATOM 629 CA GLY A 44 -0.043 16.164 4.083 1.00 0.00 C ATOM 630 C GLY A 44 -0.934 16.239 2.855 1.00 0.00 C ATOM 631 O GLY A 44 -1.323 17.324 2.424 1.00 0.00 O ATOM 0 H GLY A 44 0.560 14.312 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.655 16.203 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.620 17.029 4.110 1.00 0.00 H new ATOM 635 N LEU A 45 -1.252 15.086 2.291 1.00 0.00 N ATOM 636 CA LEU A 45 -2.099 15.035 1.112 1.00 0.00 C ATOM 637 C LEU A 45 -3.553 15.401 1.441 1.00 0.00 C ATOM 638 O LEU A 45 -4.101 14.997 2.463 1.00 0.00 O ATOM 639 CB LEU A 45 -2.044 13.627 0.499 1.00 0.00 C ATOM 640 CG LEU A 45 -2.888 12.632 1.325 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.809 11.229 0.707 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.357 12.589 2.765 1.00 0.00 C ATOM 0 H LEU A 45 -0.938 14.176 2.629 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.725 15.768 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.412 13.658 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.010 13.285 0.456 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.928 12.960 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.408 10.537 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.191 11.259 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.772 10.894 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.951 11.887 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.316 12.267 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.427 13.582 3.208 1.00 0.00 H new ATOM 654 N ASP A 46 -4.177 16.161 0.564 1.00 0.00 N ATOM 655 CA ASP A 46 -5.563 16.551 0.780 1.00 0.00 C ATOM 656 C ASP A 46 -6.483 15.333 0.687 1.00 0.00 C ATOM 657 O ASP A 46 -6.038 14.223 0.387 1.00 0.00 O ATOM 658 CB ASP A 46 -5.978 17.583 -0.261 1.00 0.00 C ATOM 659 CG ASP A 46 -5.247 18.894 -0.006 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.581 18.989 1.011 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.364 19.784 -0.831 1.00 0.00 O ATOM 0 H ASP A 46 -3.758 16.519 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.650 16.983 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.749 17.217 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.055 17.742 -0.219 1.00 0.00 H new ATOM 666 N SER A 47 -7.769 15.545 0.950 1.00 0.00 N ATOM 667 CA SER A 47 -8.746 14.461 0.893 1.00 0.00 C ATOM 668 C SER A 47 -8.961 14.005 -0.548 1.00 0.00 C ATOM 669 O SER A 47 -9.178 12.821 -0.810 1.00 0.00 O ATOM 670 CB SER A 47 -10.075 14.923 1.489 1.00 0.00 C ATOM 671 OG SER A 47 -11.001 13.846 1.464 1.00 0.00 O ATOM 0 H SER A 47 -8.158 16.453 1.204 1.00 0.00 H new ATOM 0 HA SER A 47 -8.362 13.622 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.927 15.267 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.467 15.768 0.922 1.00 0.00 H new ATOM 0 HG SER A 47 -11.854 14.139 1.847 1.00 0.00 H new ATOM 677 N VAL A 48 -8.896 14.953 -1.476 1.00 0.00 N ATOM 678 CA VAL A 48 -9.081 14.644 -2.890 1.00 0.00 C ATOM 679 C VAL A 48 -7.943 13.772 -3.402 1.00 0.00 C ATOM 680 O VAL A 48 -8.098 13.043 -4.381 1.00 0.00 O ATOM 681 CB VAL A 48 -9.152 15.936 -3.706 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.449 16.678 -3.376 1.00 0.00 C ATOM 683 CG2 VAL A 48 -7.957 16.823 -3.358 1.00 0.00 C ATOM 0 H VAL A 48 -8.718 15.937 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.017 14.097 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.131 15.696 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.500 17.599 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.302 16.046 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.470 16.919 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.006 17.744 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.979 17.063 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.032 16.296 -3.592 1.00 0.00 H new ATOM 693 N TYR A 49 -6.801 13.850 -2.736 1.00 0.00 N ATOM 694 CA TYR A 49 -5.645 13.059 -3.140 1.00 0.00 C ATOM 695 C TYR A 49 -5.949 11.565 -3.043 1.00 0.00 C ATOM 696 O TYR A 49 -5.700 10.807 -3.979 1.00 0.00 O ATOM 697 CB TYR A 49 -4.435 13.411 -2.241 1.00 0.00 C ATOM 698 CG TYR A 49 -3.276 13.889 -3.082 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.440 14.993 -3.921 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.045 13.226 -3.028 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.374 15.436 -4.708 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.982 13.664 -3.812 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.142 14.772 -4.654 1.00 0.00 C ATOM 704 OH TYR A 49 -0.091 15.204 -5.434 1.00 0.00 O ATOM 0 H TYR A 49 -6.649 14.445 -1.922 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.408 13.293 -4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.717 14.184 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.137 12.536 -1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.390 15.504 -3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.920 12.373 -2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.500 16.290 -5.357 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.033 13.149 -3.771 1.00 0.00 H new ATOM 0 HH TYR A 49 0.690 14.634 -5.275 1.00 0.00 H new ATOM 714 N ALA A 50 -6.483 11.153 -1.905 1.00 0.00 N ATOM 715 CA ALA A 50 -6.797 9.753 -1.698 1.00 0.00 C ATOM 716 C ALA A 50 -7.647 9.239 -2.839 1.00 0.00 C ATOM 717 O ALA A 50 -7.413 8.159 -3.367 1.00 0.00 O ATOM 718 CB ALA A 50 -7.552 9.574 -0.378 1.00 0.00 C ATOM 0 H ALA A 50 -6.706 11.763 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.866 9.188 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.783 8.519 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.933 9.928 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.478 10.148 -0.408 1.00 0.00 H new ATOM 724 N LEU A 51 -8.646 10.009 -3.216 1.00 0.00 N ATOM 725 CA LEU A 51 -9.529 9.582 -4.286 1.00 0.00 C ATOM 726 C LEU A 51 -8.741 9.028 -5.473 1.00 0.00 C ATOM 727 O LEU A 51 -8.806 7.830 -5.773 1.00 0.00 O ATOM 728 CB LEU A 51 -10.384 10.776 -4.763 1.00 0.00 C ATOM 729 CG LEU A 51 -11.660 10.294 -5.471 1.00 0.00 C ATOM 730 CD1 LEU A 51 -11.285 9.434 -6.690 1.00 0.00 C ATOM 731 CD2 LEU A 51 -12.541 9.492 -4.484 1.00 0.00 C ATOM 0 H LEU A 51 -8.866 10.917 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.169 8.791 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.651 11.400 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.800 11.397 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.230 11.156 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.193 9.094 -7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.690 10.027 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.707 8.570 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.443 9.154 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.985 8.628 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.816 10.128 -3.643 1.00 0.00 H new ATOM 743 N SER A 52 -8.001 9.896 -6.143 1.00 0.00 N ATOM 744 CA SER A 52 -7.232 9.475 -7.298 1.00 0.00 C ATOM 745 C SER A 52 -6.100 8.555 -6.892 1.00 0.00 C ATOM 746 O SER A 52 -5.881 7.515 -7.507 1.00 0.00 O ATOM 747 CB SER A 52 -6.678 10.702 -8.004 1.00 0.00 C ATOM 748 OG SER A 52 -6.282 10.349 -9.325 1.00 0.00 O ATOM 0 H SER A 52 -7.918 10.885 -5.909 1.00 0.00 H new ATOM 0 HA SER A 52 -7.886 8.924 -7.973 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.432 11.488 -8.037 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.827 11.100 -7.451 1.00 0.00 H new ATOM 0 HG SER A 52 -5.926 11.139 -9.782 1.00 0.00 H new ATOM 754 N ILE A 53 -5.379 8.944 -5.854 1.00 0.00 N ATOM 755 CA ILE A 53 -4.259 8.142 -5.384 1.00 0.00 C ATOM 756 C ILE A 53 -4.726 6.764 -4.947 1.00 0.00 C ATOM 757 O ILE A 53 -4.322 5.755 -5.521 1.00 0.00 O ATOM 758 CB ILE A 53 -3.573 8.853 -4.213 1.00 0.00 C ATOM 759 CG1 ILE A 53 -3.120 10.268 -4.654 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.363 8.030 -3.743 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.737 10.201 -5.318 1.00 0.00 C ATOM 0 H ILE A 53 -5.545 9.800 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.551 8.020 -6.204 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.276 8.949 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.845 10.689 -5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.085 10.932 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.878 8.539 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.697 7.044 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.655 7.923 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.431 11.202 -5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.012 9.800 -4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.785 9.554 -6.194 1.00 0.00 H new ATOM 773 N ALA A 54 -5.582 6.724 -3.939 1.00 0.00 N ATOM 774 CA ALA A 54 -6.091 5.459 -3.438 1.00 0.00 C ATOM 775 C ALA A 54 -6.609 4.604 -4.584 1.00 0.00 C ATOM 776 O ALA A 54 -6.475 3.377 -4.555 1.00 0.00 O ATOM 777 CB ALA A 54 -7.219 5.709 -2.436 1.00 0.00 C ATOM 0 H ALA A 54 -5.937 7.548 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.277 4.931 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.595 4.755 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.840 6.299 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.027 6.252 -2.926 1.00 0.00 H new ATOM 783 N ALA A 55 -7.179 5.259 -5.597 1.00 0.00 N ATOM 784 CA ALA A 55 -7.701 4.545 -6.758 1.00 0.00 C ATOM 785 C ALA A 55 -6.565 3.931 -7.578 1.00 0.00 C ATOM 786 O ALA A 55 -6.624 2.769 -7.966 1.00 0.00 O ATOM 787 CB ALA A 55 -8.507 5.497 -7.637 1.00 0.00 C ATOM 0 H ALA A 55 -7.289 6.272 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.346 3.742 -6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.893 4.956 -8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.339 5.905 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.866 6.311 -7.975 1.00 0.00 H new ATOM 793 N GLU A 56 -5.535 4.722 -7.840 1.00 0.00 N ATOM 794 CA GLU A 56 -4.399 4.237 -8.617 1.00 0.00 C ATOM 795 C GLU A 56 -3.681 3.100 -7.889 1.00 0.00 C ATOM 796 O GLU A 56 -3.351 2.072 -8.486 1.00 0.00 O ATOM 797 CB GLU A 56 -3.416 5.382 -8.865 1.00 0.00 C ATOM 798 CG GLU A 56 -4.024 6.377 -9.855 1.00 0.00 C ATOM 799 CD GLU A 56 -3.111 7.589 -10.004 1.00 0.00 C ATOM 800 OE1 GLU A 56 -2.155 7.683 -9.249 1.00 0.00 O ATOM 801 OE2 GLU A 56 -3.370 8.400 -10.876 1.00 0.00 O ATOM 0 H GLU A 56 -5.460 5.691 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.774 3.858 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.183 5.884 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.478 4.990 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.167 5.898 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.008 6.693 -9.508 1.00 0.00 H new ATOM 808 N LEU A 57 -3.442 3.293 -6.598 1.00 0.00 N ATOM 809 CA LEU A 57 -2.754 2.280 -5.798 1.00 0.00 C ATOM 810 C LEU A 57 -3.482 0.951 -5.867 1.00 0.00 C ATOM 811 O LEU A 57 -2.942 -0.020 -6.379 1.00 0.00 O ATOM 812 CB LEU A 57 -2.692 2.747 -4.340 1.00 0.00 C ATOM 813 CG LEU A 57 -1.913 4.061 -4.246 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.998 4.596 -2.815 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.439 3.844 -4.617 1.00 0.00 C ATOM 0 H LEU A 57 -3.710 4.132 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.748 2.146 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.701 2.883 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.213 1.985 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.349 4.777 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.444 5.532 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.042 4.771 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.569 3.867 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.098 4.790 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.006 3.121 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.372 3.467 -5.638 1.00 0.00 H new ATOM 827 N GLU A 58 -4.703 0.914 -5.355 1.00 0.00 N ATOM 828 CA GLU A 58 -5.475 -0.326 -5.367 1.00 0.00 C ATOM 829 C GLU A 58 -5.676 -0.835 -6.793 1.00 0.00 C ATOM 830 O GLU A 58 -5.713 -2.043 -7.034 1.00 0.00 O ATOM 831 CB GLU A 58 -6.830 -0.099 -4.720 1.00 0.00 C ATOM 832 CG GLU A 58 -7.579 1.044 -5.450 1.00 0.00 C ATOM 833 CD GLU A 58 -8.591 0.483 -6.447 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.166 -0.145 -7.402 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.774 0.707 -6.249 1.00 0.00 O ATOM 0 H GLU A 58 -5.177 1.712 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.917 -1.075 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.419 -1.015 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.702 0.153 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.091 1.673 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.863 1.679 -5.971 1.00 0.00 H new ATOM 842 N ASP A 59 -5.807 0.089 -7.734 1.00 0.00 N ATOM 843 CA ASP A 59 -6.007 -0.278 -9.133 1.00 0.00 C ATOM 844 C ASP A 59 -4.779 -0.997 -9.680 1.00 0.00 C ATOM 845 O ASP A 59 -4.873 -1.781 -10.623 1.00 0.00 O ATOM 846 CB ASP A 59 -6.284 0.971 -9.970 1.00 0.00 C ATOM 847 CG ASP A 59 -6.283 0.628 -11.455 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.915 -0.351 -11.816 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.647 1.347 -12.208 1.00 0.00 O ATOM 0 H ASP A 59 -5.779 1.093 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.864 -0.949 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.247 1.398 -9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.528 1.729 -9.765 1.00 0.00 H new ATOM 854 N HIS A 60 -3.631 -0.719 -9.087 1.00 0.00 N ATOM 855 CA HIS A 60 -2.393 -1.348 -9.531 1.00 0.00 C ATOM 856 C HIS A 60 -2.400 -2.851 -9.251 1.00 0.00 C ATOM 857 O HIS A 60 -1.949 -3.651 -10.069 1.00 0.00 O ATOM 858 CB HIS A 60 -1.192 -0.707 -8.825 1.00 0.00 C ATOM 859 CG HIS A 60 0.083 -1.309 -9.333 1.00 0.00 C ATOM 860 ND1 HIS A 60 0.102 -2.238 -10.356 1.00 0.00 N ATOM 861 CD2 HIS A 60 1.395 -1.122 -8.969 1.00 0.00 C ATOM 862 CE1 HIS A 60 1.386 -2.575 -10.574 1.00 0.00 C ATOM 863 NE2 HIS A 60 2.215 -1.922 -9.755 1.00 0.00 N ATOM 0 H HIS A 60 -3.527 -0.071 -8.306 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.313 -1.196 -10.607 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.190 0.369 -8.998 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.271 -0.856 -7.748 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -0.710 -2.602 -10.855 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.736 -0.455 -8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.707 -3.287 -11.320 1.00 0.00 H new ATOM 872 N LEU A 61 -2.899 -3.224 -8.075 1.00 0.00 N ATOM 873 CA LEU A 61 -2.938 -4.623 -7.653 1.00 0.00 C ATOM 874 C LEU A 61 -4.265 -5.238 -7.999 1.00 0.00 C ATOM 875 O LEU A 61 -4.624 -6.287 -7.470 1.00 0.00 O ATOM 876 CB LEU A 61 -2.676 -4.733 -6.132 1.00 0.00 C ATOM 877 CG LEU A 61 -1.483 -3.848 -5.701 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.356 -3.885 -6.756 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.968 -2.395 -5.459 1.00 0.00 C ATOM 0 H LEU A 61 -3.285 -2.572 -7.392 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.155 -5.166 -8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.570 -4.434 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.474 -5.772 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.074 -4.242 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.470 -3.254 -6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.005 -4.910 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.737 -3.517 -7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.124 -1.775 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.398 -1.997 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.723 -2.390 -4.673 1.00 0.00 H new ATOM 891 N ASP A 62 -4.976 -4.603 -8.915 1.00 0.00 N ATOM 892 CA ASP A 62 -6.255 -5.119 -9.349 1.00 0.00 C ATOM 893 C ASP A 62 -7.151 -5.406 -8.157 1.00 0.00 C ATOM 894 O ASP A 62 -7.583 -6.538 -7.953 1.00 0.00 O ATOM 895 CB ASP A 62 -6.051 -6.398 -10.147 1.00 0.00 C ATOM 896 CG ASP A 62 -5.478 -6.073 -11.532 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.529 -4.915 -11.919 1.00 0.00 O ATOM 898 OD2 ASP A 62 -4.998 -6.986 -12.186 1.00 0.00 O ATOM 0 H ASP A 62 -4.689 -3.735 -9.368 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.734 -4.367 -9.976 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.374 -7.064 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.999 -6.925 -10.252 1.00 0.00 H new ATOM 903 N VAL A 63 -7.414 -4.379 -7.366 1.00 0.00 N ATOM 904 CA VAL A 63 -8.255 -4.530 -6.184 1.00 0.00 C ATOM 905 C VAL A 63 -8.983 -3.235 -5.879 1.00 0.00 C ATOM 906 O VAL A 63 -8.560 -2.171 -6.312 1.00 0.00 O ATOM 907 CB VAL A 63 -7.390 -4.914 -4.978 1.00 0.00 C ATOM 908 CG1 VAL A 63 -6.982 -6.372 -5.085 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.127 -4.057 -4.965 1.00 0.00 C ATOM 0 H VAL A 63 -7.060 -3.434 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.987 -5.313 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.963 -4.754 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.367 -6.642 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.874 -6.999 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.412 -6.524 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.511 -4.329 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.564 -4.224 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.402 -3.005 -4.894 1.00 0.00 H new ATOM 919 N SER A 64 -10.084 -3.334 -5.134 1.00 0.00 N ATOM 920 CA SER A 64 -10.869 -2.157 -4.760 1.00 0.00 C ATOM 921 C SER A 64 -10.951 -2.067 -3.244 1.00 0.00 C ATOM 922 O SER A 64 -10.981 -3.082 -2.552 1.00 0.00 O ATOM 923 CB SER A 64 -12.275 -2.248 -5.347 1.00 0.00 C ATOM 924 OG SER A 64 -13.092 -3.016 -4.477 1.00 0.00 O ATOM 0 H SER A 64 -10.452 -4.216 -4.778 1.00 0.00 H new ATOM 0 HA SER A 64 -10.383 -1.265 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.695 -1.250 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.241 -2.708 -6.335 1.00 0.00 H new ATOM 0 HG SER A 64 -13.997 -3.077 -4.847 1.00 0.00 H new ATOM 930 N LEU A 65 -10.964 -0.842 -2.735 1.00 0.00 N ATOM 931 CA LEU A 65 -11.012 -0.596 -1.290 1.00 0.00 C ATOM 932 C LEU A 65 -12.228 0.252 -0.949 1.00 0.00 C ATOM 933 O LEU A 65 -12.887 0.795 -1.835 1.00 0.00 O ATOM 934 CB LEU A 65 -9.713 0.121 -0.818 1.00 0.00 C ATOM 935 CG LEU A 65 -8.957 0.683 -2.029 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.814 1.773 -2.733 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.622 1.270 -1.555 1.00 0.00 C ATOM 0 H LEU A 65 -10.942 0.006 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.088 -1.553 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.962 0.927 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.078 -0.579 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.764 -0.114 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.269 2.166 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.754 1.336 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.020 2.582 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.077 1.672 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.810 2.068 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.028 0.488 -1.082 1.00 0.00 H new ATOM 949 N ASP A 66 -12.520 0.354 0.341 1.00 0.00 N ATOM 950 CA ASP A 66 -13.666 1.134 0.802 1.00 0.00 C ATOM 951 C ASP A 66 -13.230 2.528 1.242 1.00 0.00 C ATOM 952 O ASP A 66 -12.068 2.754 1.558 1.00 0.00 O ATOM 953 CB ASP A 66 -14.354 0.391 1.966 1.00 0.00 C ATOM 954 CG ASP A 66 -15.669 -0.235 1.499 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.653 -0.897 0.474 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.668 -0.038 2.170 1.00 0.00 O ATOM 0 H ASP A 66 -11.983 -0.091 1.086 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.372 1.249 -0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.692 -0.384 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.545 1.084 2.785 1.00 0.00 H new ATOM 961 N PRO A 67 -14.150 3.456 1.267 1.00 0.00 N ATOM 962 CA PRO A 67 -13.865 4.862 1.676 1.00 0.00 C ATOM 963 C PRO A 67 -13.382 4.961 3.123 1.00 0.00 C ATOM 964 O PRO A 67 -12.214 5.255 3.384 1.00 0.00 O ATOM 965 CB PRO A 67 -15.220 5.577 1.489 1.00 0.00 C ATOM 966 CG PRO A 67 -16.246 4.488 1.504 1.00 0.00 C ATOM 967 CD PRO A 67 -15.565 3.266 0.909 1.00 0.00 C ATOM 0 HA PRO A 67 -13.061 5.304 1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.399 6.297 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.247 6.130 0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.589 4.288 2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.123 4.769 0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.964 2.341 1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.703 3.215 -0.171 1.00 0.00 H new ATOM 975 N THR A 68 -14.293 4.715 4.059 1.00 0.00 N ATOM 976 CA THR A 68 -13.958 4.792 5.474 1.00 0.00 C ATOM 977 C THR A 68 -12.902 3.752 5.827 1.00 0.00 C ATOM 978 O THR A 68 -12.257 3.837 6.872 1.00 0.00 O ATOM 979 CB THR A 68 -15.211 4.564 6.322 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.754 3.285 6.028 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.248 5.645 6.009 1.00 0.00 C ATOM 0 H THR A 68 -15.262 4.462 3.864 1.00 0.00 H new ATOM 0 HA THR A 68 -13.559 5.785 5.683 1.00 0.00 H new ATOM 0 HB THR A 68 -14.947 4.613 7.378 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.556 3.137 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.139 5.480 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.831 6.626 6.237 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.513 5.600 4.953 1.00 0.00 H new ATOM 989 N LEU A 69 -12.725 2.781 4.943 1.00 0.00 N ATOM 990 CA LEU A 69 -11.734 1.738 5.160 1.00 0.00 C ATOM 991 C LEU A 69 -10.321 2.284 4.967 1.00 0.00 C ATOM 992 O LEU A 69 -9.414 1.972 5.734 1.00 0.00 O ATOM 993 CB LEU A 69 -11.992 0.576 4.203 1.00 0.00 C ATOM 994 CG LEU A 69 -10.955 -0.541 4.453 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.506 -1.865 3.918 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.596 -0.212 3.772 1.00 0.00 C ATOM 0 H LEU A 69 -13.251 2.694 4.074 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.820 1.381 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.001 0.189 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.929 0.921 3.171 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.777 -0.620 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.779 -2.658 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.436 -2.107 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.696 -1.774 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.887 -1.017 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.743 -0.110 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.204 0.722 4.175 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.141 3.109 3.944 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.832 3.689 3.665 1.00 0.00 C ATOM 1010 C ILE A 70 -8.288 4.394 4.901 1.00 0.00 C ATOM 1011 O ILE A 70 -7.089 4.344 5.176 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.943 4.678 2.496 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.184 3.906 1.186 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.645 5.486 2.377 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.813 4.835 0.146 1.00 0.00 C ATOM 0 H ILE A 70 -10.878 3.391 3.298 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.142 2.890 3.393 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.777 5.355 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.242 3.508 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.839 3.054 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.728 6.187 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.474 6.038 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.810 4.809 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.982 4.284 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.764 5.212 0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.142 5.672 -0.047 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.173 5.045 5.638 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.767 5.753 6.844 1.00 0.00 C ATOM 1029 C TRP A 71 -8.548 4.768 7.989 1.00 0.00 C ATOM 1030 O TRP A 71 -8.123 5.157 9.076 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.836 6.776 7.235 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.836 7.896 6.245 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.795 8.111 5.316 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.849 8.953 6.065 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.462 9.235 4.580 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.269 9.787 5.003 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.640 9.264 6.715 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.517 10.893 4.599 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.883 10.376 6.312 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.320 11.188 5.256 1.00 0.00 C ATOM 0 H TRP A 71 -10.169 5.099 5.426 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.830 6.273 6.645 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.817 6.301 7.264 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.639 7.160 8.236 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.677 7.505 5.172 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.028 9.610 3.819 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.293 8.644 7.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.859 11.515 3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.958 10.607 6.819 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.732 12.041 4.951 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.844 3.491 7.736 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.676 2.451 8.753 1.00 0.00 C ATOM 1053 C ASP A 72 -7.293 1.822 8.646 1.00 0.00 C ATOM 1054 O ASP A 72 -6.689 1.454 9.652 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.741 1.372 8.588 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.750 0.473 9.819 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.866 0.625 10.646 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.645 -0.349 9.921 1.00 0.00 O ATOM 0 H ASP A 72 -9.199 3.154 6.841 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.783 2.912 9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.720 1.831 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.540 0.781 7.695 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.791 1.716 7.415 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.464 1.143 7.166 1.00 0.00 C ATOM 1065 C HIS A 73 -4.546 2.175 6.502 1.00 0.00 C ATOM 1066 O HIS A 73 -3.971 1.916 5.445 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.599 -0.082 6.261 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.745 -0.927 6.728 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.088 -1.040 8.065 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.644 -1.702 6.042 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.155 -1.857 8.139 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.534 -2.288 6.932 1.00 0.00 N ATOM 0 H HIS A 73 -7.282 2.019 6.574 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.025 0.850 8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.761 0.231 5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.676 -0.662 6.277 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.618 -0.587 8.849 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.658 -1.836 4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.645 -2.131 9.061 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.403 3.329 7.108 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.538 4.425 6.578 1.00 0.00 C ATOM 1083 C PRO A 74 -2.060 4.083 6.669 1.00 0.00 C ATOM 1084 O PRO A 74 -1.209 4.873 6.266 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.874 5.617 7.487 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.356 5.011 8.762 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.063 3.724 8.361 1.00 0.00 C ATOM 0 HA PRO A 74 -3.721 4.617 5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.998 6.244 7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.639 6.251 7.038 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.526 4.808 9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.035 5.685 9.284 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.957 2.956 9.127 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.131 3.884 8.216 1.00 0.00 H new ATOM 1095 N THR A 75 -1.764 2.907 7.200 1.00 0.00 N ATOM 1096 CA THR A 75 -0.377 2.463 7.352 1.00 0.00 C ATOM 1097 C THR A 75 -0.097 1.241 6.487 1.00 0.00 C ATOM 1098 O THR A 75 -0.991 0.448 6.194 1.00 0.00 O ATOM 1099 CB THR A 75 -0.101 2.118 8.817 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.139 1.278 9.304 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.046 3.403 9.648 1.00 0.00 C ATOM 0 H THR A 75 -2.460 2.240 7.534 1.00 0.00 H new ATOM 0 HA THR A 75 0.276 3.275 7.032 1.00 0.00 H new ATOM 0 HB THR A 75 0.855 1.600 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.965 1.053 10.242 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.151 3.154 10.691 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.750 4.046 9.272 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.000 3.926 9.574 1.00 0.00 H new ATOM 1109 N ILE A 76 1.157 1.100 6.086 1.00 0.00 N ATOM 1110 CA ILE A 76 1.561 -0.027 5.257 1.00 0.00 C ATOM 1111 C ILE A 76 1.344 -1.331 6.010 1.00 0.00 C ATOM 1112 O ILE A 76 0.912 -2.322 5.432 1.00 0.00 O ATOM 1113 CB ILE A 76 3.040 0.095 4.858 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.210 1.285 3.899 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.523 -1.196 4.156 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.650 1.341 3.362 1.00 0.00 C ATOM 0 H ILE A 76 1.910 1.748 6.319 1.00 0.00 H new ATOM 0 HA ILE A 76 0.952 -0.023 4.353 1.00 0.00 H new ATOM 0 HB ILE A 76 3.634 0.249 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.509 1.194 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.972 2.214 4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.572 -1.090 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.409 -2.043 4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.928 -1.366 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.753 2.189 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.345 1.455 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.874 0.419 2.826 1.00 0.00 H new ATOM 1128 N ASP A 77 1.675 -1.334 7.291 1.00 0.00 N ATOM 1129 CA ASP A 77 1.537 -2.541 8.094 1.00 0.00 C ATOM 1130 C ASP A 77 0.118 -3.094 7.976 1.00 0.00 C ATOM 1131 O ASP A 77 -0.079 -4.288 7.726 1.00 0.00 O ATOM 1132 CB ASP A 77 1.851 -2.202 9.563 1.00 0.00 C ATOM 1133 CG ASP A 77 3.354 -2.255 9.813 1.00 0.00 C ATOM 1134 OD1 ASP A 77 3.969 -3.224 9.405 1.00 0.00 O ATOM 1135 OD2 ASP A 77 3.866 -1.324 10.415 1.00 0.00 O ATOM 0 H ASP A 77 2.038 -0.524 7.794 1.00 0.00 H new ATOM 0 HA ASP A 77 2.233 -3.299 7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.471 -1.209 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.342 -2.905 10.222 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.869 -2.221 8.139 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.256 -2.638 8.037 1.00 0.00 C ATOM 1142 C ALA A 78 -2.602 -2.973 6.597 1.00 0.00 C ATOM 1143 O ALA A 78 -3.231 -3.993 6.318 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.174 -1.521 8.548 1.00 0.00 C ATOM 0 H ALA A 78 -0.734 -1.230 8.340 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.400 -3.529 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.213 -1.840 8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.939 -1.305 9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.023 -0.623 7.948 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.203 -2.100 5.685 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.513 -2.309 4.285 1.00 0.00 C ATOM 1152 C LEU A 79 -1.895 -3.615 3.794 1.00 0.00 C ATOM 1153 O LEU A 79 -2.540 -4.398 3.096 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.969 -1.131 3.444 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.916 -0.828 2.264 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.233 -2.114 1.471 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.230 -0.200 2.801 1.00 0.00 C ATOM 0 H LEU A 79 -1.672 -1.253 5.887 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.596 -2.365 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.865 -0.246 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.975 -1.373 3.068 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.423 -0.125 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.902 -1.876 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.308 -2.537 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.713 -2.838 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.898 0.014 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.714 -0.898 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.002 0.726 3.329 1.00 0.00 H new ATOM 1169 N SER A 80 -0.644 -3.835 4.161 1.00 0.00 N ATOM 1170 CA SER A 80 0.060 -5.039 3.748 1.00 0.00 C ATOM 1171 C SER A 80 -0.660 -6.270 4.273 1.00 0.00 C ATOM 1172 O SER A 80 -0.877 -7.231 3.538 1.00 0.00 O ATOM 1173 CB SER A 80 1.494 -5.012 4.278 1.00 0.00 C ATOM 1174 OG SER A 80 2.271 -5.974 3.580 1.00 0.00 O ATOM 0 H SER A 80 -0.096 -3.200 4.741 1.00 0.00 H new ATOM 0 HA SER A 80 0.082 -5.078 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.923 -4.018 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.503 -5.227 5.347 1.00 0.00 H new ATOM 0 HG SER A 80 3.142 -6.072 4.019 1.00 0.00 H new ATOM 1180 N THR A 81 -1.034 -6.232 5.548 1.00 0.00 N ATOM 1181 CA THR A 81 -1.736 -7.357 6.161 1.00 0.00 C ATOM 1182 C THR A 81 -3.032 -7.647 5.399 1.00 0.00 C ATOM 1183 O THR A 81 -3.380 -8.802 5.134 1.00 0.00 O ATOM 1184 CB THR A 81 -2.057 -7.039 7.620 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.846 -6.870 8.347 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.870 -8.182 8.228 1.00 0.00 C ATOM 0 H THR A 81 -0.866 -5.443 6.173 1.00 0.00 H new ATOM 0 HA THR A 81 -1.094 -8.237 6.119 1.00 0.00 H new ATOM 0 HB THR A 81 -2.639 -6.119 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.525 -5.951 8.238 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.098 -7.953 9.269 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.799 -8.304 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.293 -9.106 8.178 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.752 -6.597 5.051 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.994 -6.765 4.321 1.00 0.00 C ATOM 1196 C ALA A 82 -4.720 -7.242 2.897 1.00 0.00 C ATOM 1197 O ALA A 82 -5.445 -8.092 2.359 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.752 -5.435 4.275 1.00 0.00 C ATOM 0 H ALA A 82 -3.502 -5.630 5.259 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.597 -7.514 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.684 -5.566 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.973 -5.107 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.139 -4.684 3.776 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.676 -6.690 2.274 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.352 -7.058 0.906 1.00 0.00 C ATOM 1206 C LEU A 83 -3.008 -8.541 0.811 1.00 0.00 C ATOM 1207 O LEU A 83 -3.551 -9.262 -0.024 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.156 -6.207 0.416 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.287 -5.936 -1.083 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.037 -5.208 -1.569 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.445 -7.260 -1.837 1.00 0.00 C ATOM 0 H LEU A 83 -3.053 -5.998 2.692 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.221 -6.869 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.121 -5.265 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.221 -6.728 0.619 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.165 -5.318 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.123 -5.011 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.934 -4.264 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.160 -5.828 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.538 -7.062 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.571 -7.887 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.339 -7.775 -1.484 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.102 -8.989 1.671 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.698 -10.386 1.665 1.00 0.00 C ATOM 1225 C VAL A 84 -2.893 -11.264 2.004 1.00 0.00 C ATOM 1226 O VAL A 84 -2.987 -12.403 1.544 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.568 -10.615 2.675 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.084 -10.368 4.090 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.047 -12.050 2.559 1.00 0.00 C ATOM 0 H VAL A 84 -1.639 -8.412 2.373 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.332 -10.648 0.672 1.00 0.00 H new ATOM 0 HB VAL A 84 0.246 -9.922 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.278 -10.532 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.440 -9.341 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.903 -11.054 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.756 -12.205 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.858 -12.749 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.333 -12.219 1.551 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.805 -10.729 2.814 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.988 -11.481 3.202 1.00 0.00 C ATOM 1241 C ALA A 85 -5.806 -11.844 1.969 1.00 0.00 C ATOM 1242 O ALA A 85 -6.387 -12.928 1.893 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.840 -10.659 4.167 1.00 0.00 C ATOM 0 H ALA A 85 -3.746 -9.790 3.208 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.672 -12.398 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.723 -11.232 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.257 -10.425 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.149 -9.733 3.682 1.00 0.00 H new