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 Set 1.1: A 22 CYS SG : rot -85:sc= -5.65! USER MOD Set 1.2: A 26 HIS : no HE2:sc= -4.8! C(o=-10!,f=-12!) USER MOD Single : A 11 THR OG1 : rot 20:sc= 0.326 USER MOD Single : A 14 SER OG : rot -14:sc= -0.364 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -2 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= 0.711 K(o=0.71,f=-3!) 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= -1.12 K(o=-1.1,f=-3.1!) 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 106:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.376 -12.622 -2.447 1.00 0.00 N ATOM 137 CA THR A 11 4.863 -12.824 -1.083 1.00 0.00 C ATOM 138 C THR A 11 4.726 -11.533 -0.282 1.00 0.00 C ATOM 139 O THR A 11 4.752 -10.436 -0.840 1.00 0.00 O ATOM 140 CB THR A 11 6.330 -13.256 -1.112 1.00 0.00 C ATOM 141 OG1 THR A 11 6.499 -14.275 -2.086 1.00 0.00 O ATOM 142 CG2 THR A 11 6.733 -13.789 0.261 1.00 0.00 C ATOM 0 HA THR A 11 4.267 -13.604 -0.609 1.00 0.00 H new ATOM 0 HB THR A 11 6.958 -12.401 -1.365 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.752 -14.249 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.778 -14.097 0.239 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.600 -13.007 1.008 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.108 -14.645 0.517 1.00 0.00 H new ATOM 150 N LEU A 12 4.566 -11.674 1.025 1.00 0.00 N ATOM 151 CA LEU A 12 4.405 -10.519 1.898 1.00 0.00 C ATOM 152 C LEU A 12 5.500 -9.496 1.642 1.00 0.00 C ATOM 153 O LEU A 12 5.249 -8.290 1.637 1.00 0.00 O ATOM 154 CB LEU A 12 4.478 -10.963 3.364 1.00 0.00 C ATOM 155 CG LEU A 12 3.556 -12.184 3.605 1.00 0.00 C ATOM 156 CD1 LEU A 12 4.368 -13.491 3.578 1.00 0.00 C ATOM 157 CD2 LEU A 12 2.866 -12.062 4.972 1.00 0.00 C ATOM 0 H LEU A 12 4.544 -12.574 1.505 1.00 0.00 H new ATOM 0 HA LEU A 12 3.435 -10.067 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.506 -11.219 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.181 -10.141 4.015 1.00 0.00 H new ATOM 0 HG LEU A 12 2.810 -12.204 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.702 -14.337 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.850 -13.600 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.128 -13.464 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.220 -12.925 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.620 -12.023 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.268 -11.151 4.997 1.00 0.00 H new ATOM 169 N ASP A 13 6.718 -9.979 1.436 1.00 0.00 N ATOM 170 CA ASP A 13 7.832 -9.082 1.195 1.00 0.00 C ATOM 171 C ASP A 13 7.646 -8.341 -0.120 1.00 0.00 C ATOM 172 O ASP A 13 7.931 -7.152 -0.200 1.00 0.00 O ATOM 173 CB ASP A 13 9.148 -9.849 1.144 1.00 0.00 C ATOM 174 CG ASP A 13 9.193 -10.868 2.275 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.790 -10.522 3.375 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.622 -11.982 2.028 1.00 0.00 O ATOM 0 H ASP A 13 6.954 -10.971 1.431 1.00 0.00 H new ATOM 0 HA ASP A 13 7.862 -8.368 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.249 -10.353 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.986 -9.158 1.231 1.00 0.00 H new ATOM 181 N SER A 14 7.163 -9.043 -1.145 1.00 0.00 N ATOM 182 CA SER A 14 6.960 -8.415 -2.440 1.00 0.00 C ATOM 183 C SER A 14 5.872 -7.346 -2.353 1.00 0.00 C ATOM 184 O SER A 14 5.957 -6.301 -3.005 1.00 0.00 O ATOM 185 CB SER A 14 6.602 -9.460 -3.485 1.00 0.00 C ATOM 186 OG SER A 14 5.426 -10.161 -3.083 1.00 0.00 O ATOM 0 H SER A 14 6.910 -10.030 -1.101 1.00 0.00 H new ATOM 0 HA SER A 14 7.890 -7.932 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.439 -8.981 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.428 -10.159 -3.611 1.00 0.00 H new ATOM 0 HG SER A 14 5.239 -9.973 -2.140 1.00 0.00 H new ATOM 192 N LEU A 15 4.844 -7.599 -1.564 1.00 0.00 N ATOM 193 CA LEU A 15 3.782 -6.623 -1.427 1.00 0.00 C ATOM 194 C LEU A 15 4.247 -5.468 -0.548 1.00 0.00 C ATOM 195 O LEU A 15 4.364 -4.334 -1.004 1.00 0.00 O ATOM 196 CB LEU A 15 2.545 -7.307 -0.842 1.00 0.00 C ATOM 197 CG LEU A 15 1.755 -8.030 -1.950 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.682 -8.735 -2.953 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.882 -9.088 -1.295 1.00 0.00 C ATOM 0 H LEU A 15 4.723 -8.453 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 15 3.523 -6.213 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.845 -8.022 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.908 -6.567 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 15 1.168 -7.287 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.082 -9.231 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.334 -8.000 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.288 -9.475 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.312 -9.614 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.511 -9.798 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.196 -8.611 -0.595 1.00 0.00 H new ATOM 211 N ARG A 16 4.498 -5.756 0.716 1.00 0.00 N ATOM 212 CA ARG A 16 4.931 -4.725 1.644 1.00 0.00 C ATOM 213 C ARG A 16 5.877 -3.730 0.952 1.00 0.00 C ATOM 214 O ARG A 16 5.669 -2.506 1.015 1.00 0.00 O ATOM 215 CB ARG A 16 5.650 -5.383 2.821 1.00 0.00 C ATOM 216 CG ARG A 16 6.275 -4.311 3.743 1.00 0.00 C ATOM 217 CD ARG A 16 7.769 -4.135 3.440 1.00 0.00 C ATOM 218 NE ARG A 16 8.375 -3.282 4.453 1.00 0.00 N ATOM 219 CZ ARG A 16 9.514 -2.650 4.216 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.095 -2.784 3.057 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.042 -1.894 5.136 1.00 0.00 N ATOM 0 H ARG A 16 4.411 -6.688 1.122 1.00 0.00 H new ATOM 0 HA ARG A 16 4.057 -4.178 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.948 -5.994 3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.428 -6.051 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.757 -3.361 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.142 -4.600 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.264 -5.106 3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.901 -3.694 2.452 1.00 0.00 H new ATOM 0 HE ARG A 16 7.916 -3.170 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.672 -3.373 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.973 -2.300 2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.578 -1.789 6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.919 -1.407 4.954 1.00 0.00 H new ATOM 235 N VAL A 17 6.907 -4.258 0.281 1.00 0.00 N ATOM 236 CA VAL A 17 7.865 -3.412 -0.423 1.00 0.00 C ATOM 237 C VAL A 17 7.139 -2.632 -1.527 1.00 0.00 C ATOM 238 O VAL A 17 7.454 -1.470 -1.786 1.00 0.00 O ATOM 239 CB VAL A 17 8.979 -4.287 -1.029 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.655 -5.145 0.069 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.346 -5.193 -2.070 1.00 0.00 C ATOM 0 H VAL A 17 7.094 -5.258 0.213 1.00 0.00 H new ATOM 0 HA VAL A 17 8.315 -2.705 0.274 1.00 0.00 H new ATOM 0 HB VAL A 17 9.743 -3.654 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.439 -5.756 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.091 -4.491 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.911 -5.792 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.113 -5.825 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.590 -5.819 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.880 -4.586 -2.846 1.00 0.00 H new ATOM 251 N TRP A 18 6.157 -3.269 -2.177 1.00 0.00 N ATOM 252 CA TRP A 18 5.401 -2.584 -3.229 1.00 0.00 C ATOM 253 C TRP A 18 4.733 -1.317 -2.679 1.00 0.00 C ATOM 254 O TRP A 18 4.857 -0.239 -3.254 1.00 0.00 O ATOM 255 CB TRP A 18 4.326 -3.541 -3.828 1.00 0.00 C ATOM 256 CG TRP A 18 2.929 -3.091 -3.458 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.122 -3.652 -2.508 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.163 -1.980 -4.006 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.952 -2.938 -2.433 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.931 -1.910 -3.320 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.409 -1.017 -5.007 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.009 -0.950 -3.600 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.444 -0.046 -5.295 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.242 -0.015 -4.579 1.00 0.00 C ATOM 0 H TRP A 18 5.873 -4.232 -1.999 1.00 0.00 H new ATOM 0 HA TRP A 18 6.095 -2.293 -4.018 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.426 -3.572 -4.913 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.493 -4.555 -3.464 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.366 -4.519 -1.912 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.191 -3.153 -1.789 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.342 -1.029 -5.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.941 -0.928 -3.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.627 0.682 -6.072 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.493 0.746 -4.796 1.00 0.00 H new ATOM 275 N LEU A 19 4.023 -1.466 -1.560 1.00 0.00 N ATOM 276 CA LEU A 19 3.314 -0.343 -0.936 1.00 0.00 C ATOM 277 C LEU A 19 4.258 0.816 -0.646 1.00 0.00 C ATOM 278 O LEU A 19 4.116 1.909 -1.213 1.00 0.00 O ATOM 279 CB LEU A 19 2.671 -0.835 0.384 1.00 0.00 C ATOM 280 CG LEU A 19 1.155 -1.100 0.210 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.749 -2.359 0.981 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.342 0.103 0.721 1.00 0.00 C ATOM 0 H LEU A 19 3.922 -2.352 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 19 2.548 0.015 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.166 -1.749 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.824 -0.090 1.165 1.00 0.00 H new ATOM 0 HG LEU A 19 0.948 -1.246 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.319 -2.536 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.307 -3.214 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.969 -2.224 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.722 -0.096 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.556 0.265 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.615 0.994 0.155 1.00 0.00 H new ATOM 294 N VAL A 20 5.217 0.595 0.223 1.00 0.00 N ATOM 295 CA VAL A 20 6.135 1.660 0.548 1.00 0.00 C ATOM 296 C VAL A 20 6.773 2.194 -0.726 1.00 0.00 C ATOM 297 O VAL A 20 6.835 3.407 -0.947 1.00 0.00 O ATOM 298 CB VAL A 20 7.199 1.126 1.501 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.920 -0.059 0.855 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.198 2.233 1.820 1.00 0.00 C ATOM 0 H VAL A 20 5.380 -0.288 0.706 1.00 0.00 H new ATOM 0 HA VAL A 20 5.602 2.478 1.033 1.00 0.00 H new ATOM 0 HB VAL A 20 6.726 0.793 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.680 -0.439 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.200 -0.848 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.394 0.265 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.959 1.851 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.673 2.571 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.678 3.069 2.288 1.00 0.00 H new ATOM 310 N ASP A 21 7.249 1.286 -1.562 1.00 0.00 N ATOM 311 CA ASP A 21 7.883 1.692 -2.800 1.00 0.00 C ATOM 312 C ASP A 21 6.931 2.540 -3.632 1.00 0.00 C ATOM 313 O ASP A 21 7.358 3.465 -4.329 1.00 0.00 O ATOM 314 CB ASP A 21 8.312 0.458 -3.593 1.00 0.00 C ATOM 315 CG ASP A 21 8.981 0.871 -4.901 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.028 1.494 -4.837 1.00 0.00 O ATOM 317 OD2 ASP A 21 8.436 0.556 -5.946 1.00 0.00 O ATOM 0 H ASP A 21 7.209 0.279 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 21 8.763 2.289 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.001 -0.142 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.444 -0.167 -3.803 1.00 0.00 H new ATOM 322 N CYS A 22 5.640 2.233 -3.547 1.00 0.00 N ATOM 323 CA CYS A 22 4.640 2.983 -4.288 1.00 0.00 C ATOM 324 C CYS A 22 4.701 4.447 -3.899 1.00 0.00 C ATOM 325 O CYS A 22 4.730 5.333 -4.756 1.00 0.00 O ATOM 326 CB CYS A 22 3.232 2.404 -4.009 1.00 0.00 C ATOM 327 SG CYS A 22 2.385 3.321 -2.689 1.00 0.00 S ATOM 0 H CYS A 22 5.267 1.475 -2.976 1.00 0.00 H new ATOM 0 HA CYS A 22 4.844 2.898 -5.355 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.635 2.441 -4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.318 1.355 -3.727 1.00 0.00 H new ATOM 0 HG CYS A 22 2.735 2.840 -1.533 1.00 0.00 H new ATOM 333 N VAL A 23 4.716 4.701 -2.600 1.00 0.00 N ATOM 334 CA VAL A 23 4.763 6.072 -2.121 1.00 0.00 C ATOM 335 C VAL A 23 6.040 6.761 -2.588 1.00 0.00 C ATOM 336 O VAL A 23 5.996 7.877 -3.107 1.00 0.00 O ATOM 337 CB VAL A 23 4.712 6.098 -0.598 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.408 7.519 -0.125 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.619 5.157 -0.087 1.00 0.00 C ATOM 0 H VAL A 23 4.697 3.989 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 23 3.901 6.602 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 23 5.676 5.772 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.371 7.540 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.189 8.194 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.446 7.838 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.594 5.186 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.653 5.474 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.830 4.140 -0.418 1.00 0.00 H new ATOM 349 N ALA A 24 7.179 6.095 -2.402 1.00 0.00 N ATOM 350 CA ALA A 24 8.456 6.669 -2.815 1.00 0.00 C ATOM 351 C ALA A 24 8.367 7.162 -4.246 1.00 0.00 C ATOM 352 O ALA A 24 8.763 8.279 -4.551 1.00 0.00 O ATOM 353 CB ALA A 24 9.553 5.609 -2.703 1.00 0.00 C ATOM 0 H ALA A 24 7.243 5.171 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 24 8.695 7.511 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.506 6.038 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.626 5.268 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.310 4.764 -3.347 1.00 0.00 H new ATOM 359 N GLY A 25 7.851 6.317 -5.125 1.00 0.00 N ATOM 360 CA GLY A 25 7.725 6.696 -6.522 1.00 0.00 C ATOM 361 C GLY A 25 6.743 7.856 -6.679 1.00 0.00 C ATOM 362 O GLY A 25 7.012 8.815 -7.401 1.00 0.00 O ATOM 0 H GLY A 25 7.518 5.379 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.700 6.982 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.383 5.842 -7.107 1.00 0.00 H new ATOM 366 N HIS A 26 5.600 7.758 -6.005 1.00 0.00 N ATOM 367 CA HIS A 26 4.584 8.804 -6.092 1.00 0.00 C ATOM 368 C HIS A 26 5.134 10.159 -5.661 1.00 0.00 C ATOM 369 O HIS A 26 4.984 11.146 -6.382 1.00 0.00 O ATOM 370 CB HIS A 26 3.395 8.451 -5.198 1.00 0.00 C ATOM 371 CG HIS A 26 2.655 7.282 -5.774 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.232 7.252 -7.094 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.246 6.097 -5.220 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.602 6.081 -7.288 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.584 5.339 -6.178 1.00 0.00 N ATOM 0 H HIS A 26 5.355 6.975 -5.399 1.00 0.00 H new ATOM 0 HA HIS A 26 4.271 8.869 -7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.742 8.213 -4.193 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.727 9.308 -5.110 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.373 7.984 -7.790 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.413 5.798 -4.196 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.164 5.777 -8.227 1.00 0.00 H new ATOM 384 N LEU A 27 5.765 10.222 -4.486 1.00 0.00 N ATOM 385 CA LEU A 27 6.310 11.492 -4.007 1.00 0.00 C ATOM 386 C LEU A 27 7.733 11.712 -4.528 1.00 0.00 C ATOM 387 O LEU A 27 8.142 12.842 -4.801 1.00 0.00 O ATOM 388 CB LEU A 27 6.320 11.475 -2.479 1.00 0.00 C ATOM 389 CG LEU A 27 4.915 11.130 -1.965 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.934 11.052 -0.436 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.913 12.206 -2.412 1.00 0.00 C ATOM 0 H LEU A 27 5.909 9.428 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 27 5.686 12.307 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.042 10.743 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.631 12.447 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 27 4.611 10.167 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.936 10.807 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.635 10.280 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.244 12.013 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.919 11.953 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.214 13.173 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.894 12.256 -3.501 1.00 0.00 H new ATOM 403 N GLY A 28 8.487 10.618 -4.645 1.00 0.00 N ATOM 404 CA GLY A 28 9.877 10.661 -5.114 1.00 0.00 C ATOM 405 C GLY A 28 10.859 10.593 -3.940 1.00 0.00 C ATOM 406 O GLY A 28 12.074 10.554 -4.142 1.00 0.00 O ATOM 0 H GLY A 28 8.155 9.680 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.060 9.829 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.045 11.578 -5.680 1.00 0.00 H new ATOM 410 N LEU A 29 10.330 10.583 -2.717 1.00 0.00 N ATOM 411 CA LEU A 29 11.176 10.523 -1.523 1.00 0.00 C ATOM 412 C LEU A 29 11.785 9.129 -1.372 1.00 0.00 C ATOM 413 O LEU A 29 11.593 8.262 -2.225 1.00 0.00 O ATOM 414 CB LEU A 29 10.364 10.870 -0.275 1.00 0.00 C ATOM 415 CG LEU A 29 9.551 12.141 -0.527 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.781 12.510 0.745 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.485 13.293 -0.921 1.00 0.00 C ATOM 0 H LEU A 29 9.329 10.615 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 29 11.979 11.251 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.698 10.045 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.030 11.015 0.575 1.00 0.00 H new ATOM 0 HG LEU A 29 8.848 11.964 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.200 13.416 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.109 11.695 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.485 12.683 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.897 14.194 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.196 13.477 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.026 13.028 -1.829 1.00 0.00 H new ATOM 429 N ASP A 30 12.513 8.917 -0.279 1.00 0.00 N ATOM 430 CA ASP A 30 13.140 7.620 -0.021 1.00 0.00 C ATOM 431 C ASP A 30 12.144 6.648 0.603 1.00 0.00 C ATOM 432 O ASP A 30 11.433 6.995 1.533 1.00 0.00 O ATOM 433 CB ASP A 30 14.330 7.791 0.921 1.00 0.00 C ATOM 434 CG ASP A 30 15.096 6.480 1.031 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.694 5.528 0.381 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.072 6.445 1.761 1.00 0.00 O ATOM 0 H ASP A 30 12.684 9.621 0.439 1.00 0.00 H new ATOM 0 HA ASP A 30 13.479 7.215 -0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.988 8.577 0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.983 8.104 1.906 1.00 0.00 H new ATOM 441 N ALA A 31 12.107 5.422 0.097 1.00 0.00 N ATOM 442 CA ALA A 31 11.186 4.425 0.632 1.00 0.00 C ATOM 443 C ALA A 31 11.383 4.233 2.139 1.00 0.00 C ATOM 444 O ALA A 31 10.414 4.069 2.883 1.00 0.00 O ATOM 445 CB ALA A 31 11.405 3.088 -0.076 1.00 0.00 C ATOM 0 H ALA A 31 12.694 5.096 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 31 10.170 4.781 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.715 2.346 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.226 3.208 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.430 2.755 0.085 1.00 0.00 H new ATOM 451 N ALA A 32 12.636 4.268 2.588 1.00 0.00 N ATOM 452 CA ALA A 32 12.936 4.072 4.005 1.00 0.00 C ATOM 453 C ALA A 32 12.522 5.273 4.851 1.00 0.00 C ATOM 454 O ALA A 32 12.475 5.185 6.079 1.00 0.00 O ATOM 455 CB ALA A 32 14.435 3.827 4.167 1.00 0.00 C ATOM 0 H ALA A 32 13.453 4.429 1.998 1.00 0.00 H new ATOM 0 HA ALA A 32 12.365 3.212 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.668 3.680 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.721 2.938 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.987 4.688 3.790 1.00 0.00 H new ATOM 461 N THR A 33 12.228 6.389 4.190 1.00 0.00 N ATOM 462 CA THR A 33 11.823 7.603 4.883 1.00 0.00 C ATOM 463 C THR A 33 10.371 7.923 4.578 1.00 0.00 C ATOM 464 O THR A 33 9.907 9.029 4.855 1.00 0.00 O ATOM 465 CB THR A 33 12.752 8.767 4.477 1.00 0.00 C ATOM 466 OG1 THR A 33 12.928 9.634 5.584 1.00 0.00 O ATOM 467 CG2 THR A 33 12.205 9.582 3.289 1.00 0.00 C ATOM 0 H THR A 33 12.263 6.475 3.174 1.00 0.00 H new ATOM 0 HA THR A 33 11.911 7.453 5.959 1.00 0.00 H new ATOM 0 HB THR A 33 13.700 8.327 4.166 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.519 10.373 5.330 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.900 10.386 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.091 8.930 2.423 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.237 10.007 3.554 1.00 0.00 H new ATOM 475 N ILE A 34 9.643 6.975 3.992 1.00 0.00 N ATOM 476 CA ILE A 34 8.252 7.244 3.656 1.00 0.00 C ATOM 477 C ILE A 34 7.399 7.417 4.893 1.00 0.00 C ATOM 478 O ILE A 34 7.016 8.532 5.245 1.00 0.00 O ATOM 479 CB ILE A 34 7.718 6.099 2.775 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.241 6.284 1.357 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.201 6.060 2.744 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.694 7.563 0.692 1.00 0.00 C ATOM 0 H ILE A 34 9.981 6.044 3.747 1.00 0.00 H new ATOM 0 HA ILE A 34 8.200 8.183 3.106 1.00 0.00 H new ATOM 0 HB ILE A 34 8.065 5.158 3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.330 6.325 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.965 5.418 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.871 5.237 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.820 5.915 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.821 7.000 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.097 7.649 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.606 7.512 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.992 8.433 1.277 1.00 0.00 H new ATOM 494 N ALA A 35 7.079 6.313 5.534 1.00 0.00 N ATOM 495 CA ALA A 35 6.237 6.350 6.711 1.00 0.00 C ATOM 496 C ALA A 35 5.768 4.935 7.038 1.00 0.00 C ATOM 497 O ALA A 35 4.681 4.753 7.568 1.00 0.00 O ATOM 498 CB ALA A 35 5.022 7.270 6.449 1.00 0.00 C ATOM 0 H ALA A 35 7.388 5.380 5.261 1.00 0.00 H new ATOM 0 HA ALA A 35 6.800 6.744 7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.388 7.297 7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.371 8.277 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.449 6.885 5.605 1.00 0.00 H new ATOM 504 N THR A 36 6.561 3.925 6.669 1.00 0.00 N ATOM 505 CA THR A 36 6.164 2.538 6.907 1.00 0.00 C ATOM 506 C THR A 36 5.470 2.392 8.263 1.00 0.00 C ATOM 507 O THR A 36 4.499 1.649 8.386 1.00 0.00 O ATOM 508 CB THR A 36 7.400 1.643 6.895 1.00 0.00 C ATOM 509 OG1 THR A 36 8.081 1.796 8.131 1.00 0.00 O ATOM 510 CG2 THR A 36 8.326 2.056 5.747 1.00 0.00 C ATOM 0 H THR A 36 7.466 4.040 6.212 1.00 0.00 H new ATOM 0 HA THR A 36 5.472 2.244 6.118 1.00 0.00 H new ATOM 0 HB THR A 36 7.104 0.603 6.756 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.877 1.225 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.207 1.415 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.798 1.955 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.633 3.093 5.882 1.00 0.00 H new ATOM 518 N ASP A 37 5.971 3.097 9.272 1.00 0.00 N ATOM 519 CA ASP A 37 5.388 3.026 10.616 1.00 0.00 C ATOM 520 C ASP A 37 4.583 4.290 10.919 1.00 0.00 C ATOM 521 O ASP A 37 4.414 4.663 12.081 1.00 0.00 O ATOM 522 CB ASP A 37 6.508 2.884 11.641 1.00 0.00 C ATOM 523 CG ASP A 37 7.145 1.514 11.501 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.551 0.670 10.852 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.226 1.324 12.038 1.00 0.00 O ATOM 0 H ASP A 37 6.774 3.721 9.191 1.00 0.00 H new ATOM 0 HA ASP A 37 4.721 2.165 10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.256 3.663 11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.113 3.013 12.649 1.00 0.00 H new ATOM 530 N LEU A 38 4.101 4.952 9.876 1.00 0.00 N ATOM 531 CA LEU A 38 3.322 6.175 10.049 1.00 0.00 C ATOM 532 C LEU A 38 2.207 6.244 9.013 1.00 0.00 C ATOM 533 O LEU A 38 2.335 5.721 7.905 1.00 0.00 O ATOM 534 CB LEU A 38 4.230 7.420 9.911 1.00 0.00 C ATOM 535 CG LEU A 38 4.967 7.734 11.236 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.429 7.302 11.119 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.908 9.246 11.515 1.00 0.00 C ATOM 0 H LEU A 38 4.233 4.667 8.906 1.00 0.00 H new ATOM 0 HA LEU A 38 2.885 6.161 11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.959 7.254 9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.628 8.280 9.615 1.00 0.00 H new ATOM 0 HG LEU A 38 4.487 7.194 12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.949 7.522 12.051 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.477 6.231 10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.904 7.844 10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.427 9.464 12.448 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.387 9.786 10.698 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.868 9.561 11.597 1.00 0.00 H new ATOM 549 N PRO A 39 1.124 6.892 9.346 1.00 0.00 N ATOM 550 CA PRO A 39 -0.025 7.041 8.425 1.00 0.00 C ATOM 551 C PRO A 39 0.294 7.972 7.279 1.00 0.00 C ATOM 552 O PRO A 39 0.805 9.078 7.486 1.00 0.00 O ATOM 553 CB PRO A 39 -1.123 7.639 9.306 1.00 0.00 C ATOM 554 CG PRO A 39 -0.372 8.403 10.333 1.00 0.00 C ATOM 555 CD PRO A 39 0.868 7.561 10.630 1.00 0.00 C ATOM 0 HA PRO A 39 -0.307 6.094 7.966 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.789 8.285 8.733 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.742 6.863 9.757 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.098 9.392 9.966 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.972 8.551 11.231 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.711 8.178 10.939 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.687 6.844 11.431 1.00 0.00 H new ATOM 563 N LEU A 40 -0.026 7.512 6.085 1.00 0.00 N ATOM 564 CA LEU A 40 0.199 8.272 4.872 1.00 0.00 C ATOM 565 C LEU A 40 -0.124 9.740 5.077 1.00 0.00 C ATOM 566 O LEU A 40 0.320 10.603 4.317 1.00 0.00 O ATOM 567 CB LEU A 40 -0.659 7.682 3.734 1.00 0.00 C ATOM 568 CG LEU A 40 -2.185 7.866 3.958 1.00 0.00 C ATOM 569 CD1 LEU A 40 -2.611 7.422 5.356 1.00 0.00 C ATOM 570 CD2 LEU A 40 -2.613 9.316 3.709 1.00 0.00 C ATOM 0 H LEU A 40 -0.451 6.598 5.929 1.00 0.00 H new ATOM 0 HA LEU A 40 1.253 8.203 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.377 8.155 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.439 6.619 3.635 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.690 7.227 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.685 7.567 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.370 6.368 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.082 8.014 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.686 9.412 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.080 9.975 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.378 9.594 2.682 1.00 0.00 H new ATOM 582 N THR A 41 -0.914 10.007 6.102 1.00 0.00 N ATOM 583 CA THR A 41 -1.332 11.359 6.409 1.00 0.00 C ATOM 584 C THR A 41 -0.115 12.240 6.634 1.00 0.00 C ATOM 585 O THR A 41 -0.188 13.463 6.510 1.00 0.00 O ATOM 586 CB THR A 41 -2.239 11.353 7.656 1.00 0.00 C ATOM 587 OG1 THR A 41 -2.953 10.126 7.711 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.243 12.503 7.581 1.00 0.00 C ATOM 0 H THR A 41 -1.280 9.299 6.738 1.00 0.00 H new ATOM 0 HA THR A 41 -1.898 11.762 5.569 1.00 0.00 H new ATOM 0 HB THR A 41 -1.619 11.470 8.545 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.529 10.118 8.504 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.879 12.489 8.466 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.707 13.451 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.860 12.390 6.690 1.00 0.00 H new ATOM 596 N SER A 42 0.997 11.608 6.953 1.00 0.00 N ATOM 597 CA SER A 42 2.229 12.333 7.183 1.00 0.00 C ATOM 598 C SER A 42 2.601 13.157 5.954 1.00 0.00 C ATOM 599 O SER A 42 3.270 14.185 6.062 1.00 0.00 O ATOM 600 CB SER A 42 3.351 11.342 7.512 1.00 0.00 C ATOM 601 OG SER A 42 4.606 11.965 7.284 1.00 0.00 O ATOM 0 H SER A 42 1.072 10.596 7.058 1.00 0.00 H new ATOM 0 HA SER A 42 2.089 13.013 8.023 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.275 11.020 8.550 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.257 10.449 6.894 1.00 0.00 H new ATOM 0 HG SER A 42 5.327 11.335 7.495 1.00 0.00 H new ATOM 607 N TYR A 43 2.160 12.701 4.782 1.00 0.00 N ATOM 608 CA TYR A 43 2.457 13.400 3.538 1.00 0.00 C ATOM 609 C TYR A 43 1.634 14.679 3.435 1.00 0.00 C ATOM 610 O TYR A 43 1.836 15.494 2.534 1.00 0.00 O ATOM 611 CB TYR A 43 2.158 12.480 2.347 1.00 0.00 C ATOM 612 CG TYR A 43 2.599 11.062 2.650 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.706 10.806 3.479 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.894 9.993 2.085 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.091 9.486 3.735 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.286 8.680 2.346 1.00 0.00 C ATOM 617 CZ TYR A 43 3.376 8.426 3.164 1.00 0.00 C ATOM 618 OH TYR A 43 3.731 7.124 3.407 1.00 0.00 O ATOM 0 H TYR A 43 1.600 11.856 4.671 1.00 0.00 H new ATOM 0 HA TYR A 43 3.513 13.670 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.091 12.496 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.673 12.846 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.257 11.626 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.045 10.185 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.939 9.284 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.738 7.858 1.909 1.00 0.00 H new ATOM 0 HH TYR A 43 3.122 6.524 2.928 1.00 0.00 H new ATOM 628 N GLY A 44 0.729 14.868 4.381 1.00 0.00 N ATOM 629 CA GLY A 44 -0.081 16.072 4.395 1.00 0.00 C ATOM 630 C GLY A 44 -0.938 16.160 3.145 1.00 0.00 C ATOM 631 O GLY A 44 -1.517 17.206 2.851 1.00 0.00 O ATOM 0 H GLY A 44 0.539 14.212 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.718 16.077 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.563 16.949 4.462 1.00 0.00 H new ATOM 635 N LEU A 45 -1.009 15.059 2.409 1.00 0.00 N ATOM 636 CA LEU A 45 -1.793 15.018 1.184 1.00 0.00 C ATOM 637 C LEU A 45 -3.245 15.425 1.432 1.00 0.00 C ATOM 638 O LEU A 45 -3.853 15.040 2.425 1.00 0.00 O ATOM 639 CB LEU A 45 -1.748 13.602 0.594 1.00 0.00 C ATOM 640 CG LEU A 45 -2.626 12.628 1.407 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.476 11.210 0.832 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.193 12.616 2.878 1.00 0.00 C ATOM 0 H LEU A 45 -0.535 14.186 2.639 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.360 15.730 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.090 13.626 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.719 13.243 0.582 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.664 12.955 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.095 10.518 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.794 11.205 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.433 10.900 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.823 11.924 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.153 12.298 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.295 13.618 3.296 1.00 0.00 H new ATOM 654 N ASP A 46 -3.800 16.209 0.522 1.00 0.00 N ATOM 655 CA ASP A 46 -5.178 16.647 0.664 1.00 0.00 C ATOM 656 C ASP A 46 -6.126 15.443 0.592 1.00 0.00 C ATOM 657 O ASP A 46 -5.690 14.315 0.364 1.00 0.00 O ATOM 658 CB ASP A 46 -5.517 17.636 -0.441 1.00 0.00 C ATOM 659 CG ASP A 46 -6.911 18.208 -0.217 1.00 0.00 C ATOM 660 OD1 ASP A 46 -7.346 18.222 0.924 1.00 0.00 O ATOM 661 OD2 ASP A 46 -7.520 18.627 -1.184 1.00 0.00 O ATOM 0 H ASP A 46 -3.324 16.551 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.298 17.132 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.783 18.441 -0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.469 17.141 -1.411 1.00 0.00 H new ATOM 666 N SER A 47 -7.419 15.690 0.793 1.00 0.00 N ATOM 667 CA SER A 47 -8.420 14.623 0.750 1.00 0.00 C ATOM 668 C SER A 47 -8.621 14.104 -0.673 1.00 0.00 C ATOM 669 O SER A 47 -8.863 12.915 -0.883 1.00 0.00 O ATOM 670 CB SER A 47 -9.749 15.147 1.291 1.00 0.00 C ATOM 671 OG SER A 47 -10.164 16.262 0.510 1.00 0.00 O ATOM 0 H SER A 47 -7.799 16.617 0.987 1.00 0.00 H new ATOM 0 HA SER A 47 -8.062 13.798 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.504 14.362 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.641 15.439 2.335 1.00 0.00 H new ATOM 0 HG SER A 47 -11.017 16.601 0.852 1.00 0.00 H new ATOM 677 N VAL A 48 -8.522 15.004 -1.643 1.00 0.00 N ATOM 678 CA VAL A 48 -8.700 14.631 -3.042 1.00 0.00 C ATOM 679 C VAL A 48 -7.560 13.729 -3.505 1.00 0.00 C ATOM 680 O VAL A 48 -7.708 12.961 -4.457 1.00 0.00 O ATOM 681 CB VAL A 48 -8.760 15.884 -3.925 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.761 16.875 -3.329 1.00 0.00 C ATOM 683 CG2 VAL A 48 -7.379 16.539 -3.993 1.00 0.00 C ATOM 0 H VAL A 48 -8.321 15.992 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.640 14.086 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.073 15.601 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.806 17.767 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.747 16.413 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.444 17.152 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.429 17.428 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.060 16.821 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.663 15.835 -4.416 1.00 0.00 H new ATOM 693 N TYR A 49 -6.422 13.833 -2.830 1.00 0.00 N ATOM 694 CA TYR A 49 -5.262 13.028 -3.187 1.00 0.00 C ATOM 695 C TYR A 49 -5.592 11.543 -3.082 1.00 0.00 C ATOM 696 O TYR A 49 -5.348 10.770 -4.009 1.00 0.00 O ATOM 697 CB TYR A 49 -4.085 13.379 -2.242 1.00 0.00 C ATOM 698 CG TYR A 49 -2.875 13.809 -3.039 1.00 0.00 C ATOM 699 CD1 TYR A 49 -2.966 14.907 -3.895 1.00 0.00 C ATOM 700 CD2 TYR A 49 -1.664 13.112 -2.918 1.00 0.00 C ATOM 701 CE1 TYR A 49 -1.851 15.310 -4.637 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.550 13.511 -3.657 1.00 0.00 C ATOM 703 CZ TYR A 49 -0.642 14.612 -4.519 1.00 0.00 C ATOM 704 OH TYR A 49 0.457 15.005 -5.256 1.00 0.00 O ATOM 0 H TYR A 49 -6.278 14.461 -2.039 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.979 13.245 -4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.383 14.178 -1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.834 12.514 -1.627 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.898 15.446 -3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.594 12.265 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.922 16.159 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.382 12.972 -3.565 1.00 0.00 H new ATOM 0 HH TYR A 49 1.214 14.415 -5.055 1.00 0.00 H new ATOM 714 N ALA A 50 -6.147 11.151 -1.950 1.00 0.00 N ATOM 715 CA ALA A 50 -6.493 9.761 -1.744 1.00 0.00 C ATOM 716 C ALA A 50 -7.346 9.263 -2.891 1.00 0.00 C ATOM 717 O ALA A 50 -7.130 8.178 -3.409 1.00 0.00 O ATOM 718 CB ALA A 50 -7.265 9.593 -0.438 1.00 0.00 C ATOM 0 H ALA A 50 -6.365 11.769 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.571 9.182 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.518 8.542 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.649 9.933 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.180 10.184 -0.478 1.00 0.00 H new ATOM 724 N LEU A 51 -8.332 10.048 -3.285 1.00 0.00 N ATOM 725 CA LEU A 51 -9.211 9.627 -4.365 1.00 0.00 C ATOM 726 C LEU A 51 -8.418 9.053 -5.535 1.00 0.00 C ATOM 727 O LEU A 51 -8.499 7.858 -5.830 1.00 0.00 O ATOM 728 CB LEU A 51 -10.036 10.829 -4.846 1.00 0.00 C ATOM 729 CG LEU A 51 -11.307 10.383 -5.585 1.00 0.00 C ATOM 730 CD1 LEU A 51 -10.935 9.540 -6.812 1.00 0.00 C ATOM 731 CD2 LEU A 51 -12.238 9.600 -4.635 1.00 0.00 C ATOM 0 H LEU A 51 -8.543 10.962 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.870 8.846 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.309 11.449 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.428 11.447 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.845 11.267 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.843 9.229 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.318 10.133 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.379 8.658 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.133 9.292 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.718 8.718 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.521 10.237 -3.797 1.00 0.00 H new ATOM 743 N SER A 52 -7.654 9.902 -6.197 1.00 0.00 N ATOM 744 CA SER A 52 -6.876 9.459 -7.337 1.00 0.00 C ATOM 745 C SER A 52 -5.746 8.534 -6.916 1.00 0.00 C ATOM 746 O SER A 52 -5.529 7.490 -7.526 1.00 0.00 O ATOM 747 CB SER A 52 -6.316 10.678 -8.049 1.00 0.00 C ATOM 748 OG SER A 52 -5.922 10.316 -9.365 1.00 0.00 O ATOM 0 H SER A 52 -7.556 10.891 -5.968 1.00 0.00 H new ATOM 0 HA SER A 52 -7.525 8.896 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.066 11.468 -8.086 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.463 11.075 -7.498 1.00 0.00 H new ATOM 0 HG SER A 52 -5.562 11.102 -9.826 1.00 0.00 H new ATOM 754 N ILE A 53 -5.026 8.925 -5.878 1.00 0.00 N ATOM 755 CA ILE A 53 -3.911 8.123 -5.407 1.00 0.00 C ATOM 756 C ILE A 53 -4.394 6.753 -4.937 1.00 0.00 C ATOM 757 O ILE A 53 -3.946 5.720 -5.436 1.00 0.00 O ATOM 758 CB ILE A 53 -3.218 8.856 -4.253 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.759 10.259 -4.714 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.024 8.031 -3.758 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.384 10.194 -5.394 1.00 0.00 C ATOM 0 H ILE A 53 -5.191 9.783 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.208 7.975 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.922 8.979 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.491 10.676 -5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.713 10.930 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.534 8.556 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.373 7.059 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.315 7.891 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.086 11.194 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.649 9.800 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.440 9.542 -6.265 1.00 0.00 H new ATOM 773 N ALA A 54 -5.318 6.747 -3.985 1.00 0.00 N ATOM 774 CA ALA A 54 -5.842 5.493 -3.467 1.00 0.00 C ATOM 775 C ALA A 54 -6.362 4.633 -4.612 1.00 0.00 C ATOM 776 O ALA A 54 -6.214 3.412 -4.589 1.00 0.00 O ATOM 777 CB ALA A 54 -6.967 5.758 -2.464 1.00 0.00 C ATOM 0 H ALA A 54 -5.715 7.585 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.036 4.963 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.348 4.809 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.582 6.351 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.773 6.302 -2.956 1.00 0.00 H new ATOM 783 N ALA A 55 -6.945 5.287 -5.616 1.00 0.00 N ATOM 784 CA ALA A 55 -7.468 4.577 -6.784 1.00 0.00 C ATOM 785 C ALA A 55 -6.336 3.960 -7.608 1.00 0.00 C ATOM 786 O ALA A 55 -6.409 2.804 -8.011 1.00 0.00 O ATOM 787 CB ALA A 55 -8.272 5.536 -7.661 1.00 0.00 C ATOM 0 H ALA A 55 -7.067 6.299 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.114 3.774 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.658 5.000 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.104 5.943 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.629 6.350 -7.995 1.00 0.00 H new ATOM 793 N GLU A 56 -5.298 4.739 -7.870 1.00 0.00 N ATOM 794 CA GLU A 56 -4.175 4.244 -8.658 1.00 0.00 C ATOM 795 C GLU A 56 -3.477 3.080 -7.950 1.00 0.00 C ATOM 796 O GLU A 56 -3.158 2.054 -8.565 1.00 0.00 O ATOM 797 CB GLU A 56 -3.169 5.370 -8.895 1.00 0.00 C ATOM 798 CG GLU A 56 -3.751 6.379 -9.891 1.00 0.00 C ATOM 799 CD GLU A 56 -2.809 7.569 -10.033 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.794 7.579 -9.354 1.00 0.00 O ATOM 801 OE2 GLU A 56 -3.113 8.451 -10.817 1.00 0.00 O ATOM 0 H GLU A 56 -5.208 5.705 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.563 3.888 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.936 5.867 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.235 4.961 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.898 5.903 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.729 6.717 -9.550 1.00 0.00 H new ATOM 808 N LEU A 57 -3.253 3.243 -6.651 1.00 0.00 N ATOM 809 CA LEU A 57 -2.591 2.215 -5.859 1.00 0.00 C ATOM 810 C LEU A 57 -3.357 0.904 -5.932 1.00 0.00 C ATOM 811 O LEU A 57 -2.814 -0.105 -6.355 1.00 0.00 O ATOM 812 CB LEU A 57 -2.503 2.681 -4.400 1.00 0.00 C ATOM 813 CG LEU A 57 -1.613 3.928 -4.297 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.776 4.532 -2.908 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.142 3.564 -4.488 1.00 0.00 C ATOM 0 H LEU A 57 -3.520 4.076 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.590 2.052 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.500 2.904 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.097 1.883 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.911 4.633 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.149 5.419 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.819 4.808 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.477 3.801 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.468 4.464 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.160 2.853 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.003 3.115 -5.471 1.00 0.00 H new ATOM 827 N GLU A 58 -4.613 0.926 -5.525 1.00 0.00 N ATOM 828 CA GLU A 58 -5.422 -0.290 -5.553 1.00 0.00 C ATOM 829 C GLU A 58 -5.663 -0.759 -6.988 1.00 0.00 C ATOM 830 O GLU A 58 -5.718 -1.960 -7.253 1.00 0.00 O ATOM 831 CB GLU A 58 -6.765 -0.039 -4.871 1.00 0.00 C ATOM 832 CG GLU A 58 -7.468 1.185 -5.502 1.00 0.00 C ATOM 833 CD GLU A 58 -8.538 0.765 -6.513 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.187 0.124 -7.490 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.687 1.121 -6.312 1.00 0.00 O ATOM 0 H GLU A 58 -5.094 1.755 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.877 -1.069 -5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.399 -0.920 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.613 0.130 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.926 1.787 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.728 1.815 -5.996 1.00 0.00 H new ATOM 842 N ASP A 59 -5.819 0.191 -7.903 1.00 0.00 N ATOM 843 CA ASP A 59 -6.072 -0.144 -9.302 1.00 0.00 C ATOM 844 C ASP A 59 -4.907 -0.940 -9.884 1.00 0.00 C ATOM 845 O ASP A 59 -5.072 -1.675 -10.858 1.00 0.00 O ATOM 846 CB ASP A 59 -6.283 1.138 -10.115 1.00 0.00 C ATOM 847 CG ASP A 59 -6.357 0.819 -11.604 1.00 0.00 C ATOM 848 OD1 ASP A 59 -7.312 0.173 -12.006 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.459 1.226 -12.322 1.00 0.00 O ATOM 0 H ASP A 59 -5.776 1.191 -7.706 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.972 -0.757 -9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.202 1.631 -9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.466 1.834 -9.926 1.00 0.00 H new ATOM 854 N HIS A 60 -3.740 -0.795 -9.273 1.00 0.00 N ATOM 855 CA HIS A 60 -2.560 -1.518 -9.738 1.00 0.00 C ATOM 856 C HIS A 60 -2.651 -3.009 -9.370 1.00 0.00 C ATOM 857 O HIS A 60 -2.179 -3.868 -10.119 1.00 0.00 O ATOM 858 CB HIS A 60 -1.281 -0.890 -9.140 1.00 0.00 C ATOM 859 CG HIS A 60 -0.728 0.132 -10.084 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.466 1.235 -10.474 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.478 0.236 -10.721 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.703 1.954 -11.311 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.494 1.389 -11.498 1.00 0.00 N ATOM 0 H HIS A 60 -3.583 -0.193 -8.465 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.514 -1.440 -10.824 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.507 -0.427 -8.180 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.538 -1.665 -8.953 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.416 1.460 -10.179 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.292 -0.469 -10.634 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.017 2.876 -11.777 1.00 0.00 H new ATOM 872 N LEU A 61 -3.258 -3.309 -8.223 1.00 0.00 N ATOM 873 CA LEU A 61 -3.401 -4.697 -7.771 1.00 0.00 C ATOM 874 C LEU A 61 -4.803 -5.218 -8.085 1.00 0.00 C ATOM 875 O LEU A 61 -5.261 -6.191 -7.486 1.00 0.00 O ATOM 876 CB LEU A 61 -3.130 -4.805 -6.264 1.00 0.00 C ATOM 877 CG LEU A 61 -1.834 -4.071 -5.902 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.704 -4.516 -6.835 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.043 -2.553 -6.009 1.00 0.00 C ATOM 0 H LEU A 61 -3.658 -2.616 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.670 -5.305 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.964 -4.380 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.055 -5.853 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.561 -4.316 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.214 -3.990 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.549 -5.590 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.971 -4.285 -7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.117 -2.039 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.328 -2.296 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.833 -2.245 -5.324 1.00 0.00 H new ATOM 891 N ASP A 62 -5.472 -4.583 -9.044 1.00 0.00 N ATOM 892 CA ASP A 62 -6.809 -5.015 -9.439 1.00 0.00 C ATOM 893 C ASP A 62 -7.696 -5.222 -8.222 1.00 0.00 C ATOM 894 O ASP A 62 -8.193 -6.322 -7.984 1.00 0.00 O ATOM 895 CB ASP A 62 -6.699 -6.324 -10.201 1.00 0.00 C ATOM 896 CG ASP A 62 -6.128 -6.076 -11.594 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.248 -4.960 -12.077 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.584 -7.007 -12.166 1.00 0.00 O ATOM 0 H ASP A 62 -5.115 -3.777 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.255 -4.242 -10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.059 -7.018 -9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.681 -6.791 -10.280 1.00 0.00 H new ATOM 903 N VAL A 63 -7.883 -4.163 -7.457 1.00 0.00 N ATOM 904 CA VAL A 63 -8.702 -4.228 -6.258 1.00 0.00 C ATOM 905 C VAL A 63 -9.322 -2.868 -5.965 1.00 0.00 C ATOM 906 O VAL A 63 -8.850 -1.847 -6.458 1.00 0.00 O ATOM 907 CB VAL A 63 -7.842 -4.679 -5.064 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.603 -6.181 -5.127 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.478 -3.995 -5.113 1.00 0.00 C ATOM 0 H VAL A 63 -7.479 -3.245 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.503 -4.950 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.372 -4.414 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.993 -6.488 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.559 -6.703 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.085 -6.428 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.877 -4.321 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.971 -4.261 -6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.611 -2.914 -5.070 1.00 0.00 H new ATOM 919 N SER A 64 -10.387 -2.863 -5.169 1.00 0.00 N ATOM 920 CA SER A 64 -11.074 -1.624 -4.807 1.00 0.00 C ATOM 921 C SER A 64 -11.039 -1.439 -3.293 1.00 0.00 C ATOM 922 O SER A 64 -11.132 -2.408 -2.538 1.00 0.00 O ATOM 923 CB SER A 64 -12.523 -1.669 -5.287 1.00 0.00 C ATOM 924 OG SER A 64 -13.189 -0.481 -4.879 1.00 0.00 O ATOM 0 H SER A 64 -10.795 -3.704 -4.761 1.00 0.00 H new ATOM 0 HA SER A 64 -10.568 -0.785 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.556 -1.764 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.028 -2.543 -4.875 1.00 0.00 H new ATOM 0 HG SER A 64 -14.119 -0.505 -5.187 1.00 0.00 H new ATOM 930 N LEU A 65 -10.893 -0.190 -2.856 1.00 0.00 N ATOM 931 CA LEU A 65 -10.830 0.120 -1.426 1.00 0.00 C ATOM 932 C LEU A 65 -12.114 0.799 -0.993 1.00 0.00 C ATOM 933 O LEU A 65 -12.802 1.411 -1.809 1.00 0.00 O ATOM 934 CB LEU A 65 -9.655 1.055 -1.141 1.00 0.00 C ATOM 935 CG LEU A 65 -8.427 0.577 -1.902 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.243 1.512 -1.602 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.090 -0.854 -1.490 1.00 0.00 C ATOM 0 H LEU A 65 -10.816 0.623 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.697 -0.810 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.907 2.073 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.446 1.078 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.631 0.594 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.363 1.171 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.492 2.526 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.034 1.503 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.210 -1.193 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.886 -0.886 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.933 -1.506 -1.719 1.00 0.00 H new ATOM 949 N ASP A 66 -12.442 0.691 0.290 1.00 0.00 N ATOM 950 CA ASP A 66 -13.662 1.308 0.805 1.00 0.00 C ATOM 951 C ASP A 66 -13.350 2.673 1.457 1.00 0.00 C ATOM 952 O ASP A 66 -12.301 2.846 2.071 1.00 0.00 O ATOM 953 CB ASP A 66 -14.330 0.353 1.821 1.00 0.00 C ATOM 954 CG ASP A 66 -15.625 -0.235 1.247 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.533 -1.089 0.380 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.687 0.181 1.682 1.00 0.00 O ATOM 0 H ASP A 66 -11.890 0.189 0.985 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.350 1.486 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.642 -0.453 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.547 0.891 2.744 1.00 0.00 H new ATOM 961 N PRO A 67 -14.238 3.636 1.349 1.00 0.00 N ATOM 962 CA PRO A 67 -14.031 4.987 1.958 1.00 0.00 C ATOM 963 C PRO A 67 -13.470 4.911 3.387 1.00 0.00 C ATOM 964 O PRO A 67 -12.308 5.232 3.628 1.00 0.00 O ATOM 965 CB PRO A 67 -15.439 5.609 1.947 1.00 0.00 C ATOM 966 CG PRO A 67 -16.174 4.926 0.831 1.00 0.00 C ATOM 967 CD PRO A 67 -15.525 3.547 0.634 1.00 0.00 C ATOM 0 HA PRO A 67 -13.296 5.573 1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.943 5.454 2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.391 6.686 1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.231 4.822 1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.114 5.514 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.151 2.753 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.377 3.326 -0.423 1.00 0.00 H new ATOM 975 N THR A 68 -14.315 4.496 4.330 1.00 0.00 N ATOM 976 CA THR A 68 -13.908 4.403 5.729 1.00 0.00 C ATOM 977 C THR A 68 -12.795 3.378 5.902 1.00 0.00 C ATOM 978 O THR A 68 -12.056 3.407 6.889 1.00 0.00 O ATOM 979 CB THR A 68 -15.108 4.005 6.590 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.654 2.787 6.102 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.172 5.101 6.532 1.00 0.00 C ATOM 0 H THR A 68 -15.281 4.220 4.151 1.00 0.00 H new ATOM 0 HA THR A 68 -13.535 5.377 6.045 1.00 0.00 H new ATOM 0 HB THR A 68 -14.785 3.874 7.623 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.422 2.529 6.653 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.025 4.813 7.147 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.753 6.035 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.498 5.238 5.501 1.00 0.00 H new ATOM 989 N LEU A 69 -12.675 2.483 4.937 1.00 0.00 N ATOM 990 CA LEU A 69 -11.642 1.458 4.990 1.00 0.00 C ATOM 991 C LEU A 69 -10.267 2.062 4.716 1.00 0.00 C ATOM 992 O LEU A 69 -9.284 1.701 5.358 1.00 0.00 O ATOM 993 CB LEU A 69 -11.947 0.353 3.983 1.00 0.00 C ATOM 994 CG LEU A 69 -10.923 -0.790 4.122 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.513 -2.053 3.490 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.569 -0.431 3.450 1.00 0.00 C ATOM 0 H LEU A 69 -13.274 2.443 4.112 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.632 1.029 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.955 -0.030 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.919 0.756 2.970 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.721 -0.957 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.800 -2.872 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.437 -2.319 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.723 -1.869 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.873 -1.261 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.729 -0.240 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.154 0.461 3.920 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.204 2.991 3.773 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.934 3.626 3.439 1.00 0.00 C ATOM 1010 C ILE A 70 -8.348 4.308 4.672 1.00 0.00 C ATOM 1011 O ILE A 70 -7.149 4.218 4.930 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.139 4.650 2.310 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.450 3.917 1.002 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.868 5.479 2.122 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.935 4.919 -0.052 1.00 0.00 C ATOM 0 H ILE A 70 -11.004 3.319 3.232 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.235 2.862 3.098 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.968 5.306 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.560 3.400 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.213 3.157 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.020 6.202 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.637 6.006 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.039 4.820 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.155 4.392 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.837 5.416 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.158 5.663 -0.232 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.203 4.968 5.439 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.756 5.636 6.654 1.00 0.00 C ATOM 1029 C TRP A 71 -8.590 4.629 7.792 1.00 0.00 C ATOM 1030 O TRP A 71 -8.084 4.967 8.863 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.765 6.710 7.056 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.709 7.838 6.072 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.676 8.137 5.175 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.644 8.811 5.868 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.275 9.238 4.439 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.029 9.689 4.828 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.395 9.015 6.481 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.205 10.733 4.409 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.561 10.067 6.062 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -6.966 10.924 5.029 1.00 0.00 C ATOM 0 H TRP A 71 -10.201 5.056 5.245 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.790 6.102 6.459 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.770 6.288 7.086 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.543 7.076 8.059 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.608 7.604 5.053 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.832 9.665 3.699 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.074 8.360 7.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.521 11.389 3.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.603 10.216 6.539 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.322 11.731 4.712 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.017 3.385 7.550 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.904 2.325 8.554 1.00 0.00 C ATOM 1053 C ASP A 72 -7.507 1.715 8.543 1.00 0.00 C ATOM 1054 O ASP A 72 -6.948 1.389 9.593 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.943 1.233 8.298 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.986 0.288 9.493 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.023 0.277 10.244 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.977 -0.406 9.644 1.00 0.00 O ATOM 0 H ASP A 72 -9.442 3.090 6.671 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.086 2.769 9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.924 1.679 8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.692 0.681 7.392 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.944 1.576 7.343 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.600 1.014 7.176 1.00 0.00 C ATOM 1065 C HIS A 73 -4.638 2.056 6.582 1.00 0.00 C ATOM 1066 O HIS A 73 -4.039 1.832 5.534 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.670 -0.209 6.256 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.744 -1.136 6.749 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.126 -1.188 8.082 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.536 -2.046 6.097 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.109 -2.100 8.185 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.396 -2.654 7.005 1.00 0.00 N ATOM 0 H HIS A 73 -7.397 1.845 6.470 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.222 0.719 8.155 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.883 0.102 5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.709 -0.723 6.240 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.733 -0.636 8.844 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.498 -2.258 5.039 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.606 -2.353 9.110 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.471 3.176 7.235 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.550 4.262 6.771 1.00 0.00 C ATOM 1083 C PRO A 74 -2.082 3.873 6.935 1.00 0.00 C ATOM 1084 O PRO A 74 -1.184 4.599 6.514 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.913 5.447 7.675 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.437 4.824 8.928 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.149 3.544 8.486 1.00 0.00 C ATOM 0 HA PRO A 74 -3.665 4.481 5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.043 6.071 7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.662 6.086 7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.627 4.602 9.623 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.123 5.496 9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.059 2.758 9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.214 3.713 8.328 1.00 0.00 H new ATOM 1095 N THR A 75 -1.847 2.715 7.539 1.00 0.00 N ATOM 1096 CA THR A 75 -0.481 2.232 7.753 1.00 0.00 C ATOM 1097 C THR A 75 -0.169 1.071 6.817 1.00 0.00 C ATOM 1098 O THR A 75 -1.060 0.328 6.402 1.00 0.00 O ATOM 1099 CB THR A 75 -0.309 1.796 9.210 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.424 1.006 9.596 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.215 3.033 10.112 1.00 0.00 C ATOM 0 H THR A 75 -2.576 2.094 7.889 1.00 0.00 H new ATOM 0 HA THR A 75 0.215 3.043 7.537 1.00 0.00 H new ATOM 0 HB THR A 75 0.605 1.211 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.317 0.723 10.528 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.093 2.719 11.149 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.641 3.638 9.812 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.127 3.623 10.017 1.00 0.00 H new ATOM 1109 N ILE A 76 1.110 0.932 6.489 1.00 0.00 N ATOM 1110 CA ILE A 76 1.555 -0.125 5.594 1.00 0.00 C ATOM 1111 C ILE A 76 1.326 -1.480 6.253 1.00 0.00 C ATOM 1112 O ILE A 76 0.885 -2.431 5.610 1.00 0.00 O ATOM 1113 CB ILE A 76 3.040 0.053 5.258 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.305 1.479 4.758 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.450 -0.939 4.165 1.00 0.00 C ATOM 1116 CD1 ILE A 76 2.304 1.881 3.674 1.00 0.00 C ATOM 0 H ILE A 76 1.856 1.539 6.830 1.00 0.00 H new ATOM 0 HA ILE A 76 0.982 -0.073 4.668 1.00 0.00 H new ATOM 0 HB ILE A 76 3.622 -0.130 6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.241 2.177 5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.319 1.546 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.506 -0.807 3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.281 -1.957 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.855 -0.760 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.518 2.896 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.387 1.196 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.293 1.837 4.078 1.00 0.00 H new ATOM 1128 N ASP A 77 1.639 -1.571 7.539 1.00 0.00 N ATOM 1129 CA ASP A 77 1.464 -2.819 8.261 1.00 0.00 C ATOM 1130 C ASP A 77 0.054 -3.358 8.046 1.00 0.00 C ATOM 1131 O ASP A 77 -0.129 -4.532 7.725 1.00 0.00 O ATOM 1132 CB ASP A 77 1.699 -2.589 9.753 1.00 0.00 C ATOM 1133 CG ASP A 77 1.476 -3.887 10.522 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.216 -4.894 9.884 1.00 0.00 O ATOM 1135 OD2 ASP A 77 1.562 -3.852 11.738 1.00 0.00 O ATOM 0 H ASP A 77 2.012 -0.803 8.097 1.00 0.00 H new ATOM 0 HA ASP A 77 2.184 -3.546 7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.714 -2.228 9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.023 -1.818 10.121 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.941 -2.493 8.217 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.328 -2.904 8.030 1.00 0.00 C ATOM 1142 C ALA A 78 -2.607 -3.199 6.561 1.00 0.00 C ATOM 1143 O ALA A 78 -3.244 -4.196 6.227 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.273 -1.799 8.519 1.00 0.00 C ATOM 0 H ALA A 78 -0.816 -1.516 8.481 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.498 -3.811 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.307 -2.114 8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.095 -1.610 9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.090 -0.886 7.952 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.143 -2.314 5.690 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.375 -2.483 4.260 1.00 0.00 C ATOM 1152 C LEU A 79 -1.749 -3.787 3.768 1.00 0.00 C ATOM 1153 O LEU A 79 -2.395 -4.578 3.082 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.773 -1.288 3.499 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.750 -0.767 2.423 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.170 -1.906 1.456 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -3.996 -0.146 3.110 1.00 0.00 C ATOM 0 H LEU A 79 -1.610 -1.482 5.942 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.449 -2.526 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.538 -0.487 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.835 -1.586 3.030 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.247 -0.000 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.858 -1.513 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.286 -2.307 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.661 -2.699 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.685 0.222 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.494 -0.904 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.685 0.681 3.748 1.00 0.00 H new ATOM 1169 N SER A 80 -0.490 -4.000 4.122 1.00 0.00 N ATOM 1170 CA SER A 80 0.206 -5.205 3.708 1.00 0.00 C ATOM 1171 C SER A 80 -0.505 -6.431 4.255 1.00 0.00 C ATOM 1172 O SER A 80 -0.726 -7.399 3.533 1.00 0.00 O ATOM 1173 CB SER A 80 1.647 -5.166 4.208 1.00 0.00 C ATOM 1174 OG SER A 80 2.213 -6.465 4.103 1.00 0.00 O ATOM 0 H SER A 80 0.065 -3.359 4.690 1.00 0.00 H new ATOM 0 HA SER A 80 0.209 -5.259 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.229 -4.454 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.676 -4.826 5.243 1.00 0.00 H new ATOM 0 HG SER A 80 3.077 -6.484 4.565 1.00 0.00 H new ATOM 1180 N THR A 81 -0.856 -6.375 5.534 1.00 0.00 N ATOM 1181 CA THR A 81 -1.543 -7.490 6.178 1.00 0.00 C ATOM 1182 C THR A 81 -2.841 -7.794 5.438 1.00 0.00 C ATOM 1183 O THR A 81 -3.185 -8.952 5.201 1.00 0.00 O ATOM 1184 CB THR A 81 -1.845 -7.147 7.640 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.623 -6.963 8.344 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.638 -8.289 8.283 1.00 0.00 C ATOM 0 H THR A 81 -0.678 -5.576 6.143 1.00 0.00 H new ATOM 0 HA THR A 81 -0.899 -8.369 6.147 1.00 0.00 H new ATOM 0 HB THR A 81 -2.433 -6.230 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.484 -6.008 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.852 -8.043 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.575 -8.430 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.053 -9.207 8.240 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.561 -6.752 5.074 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.809 -6.937 4.355 1.00 0.00 C ATOM 1196 C ALA A 82 -4.549 -7.456 2.941 1.00 0.00 C ATOM 1197 O ALA A 82 -5.265 -8.336 2.443 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.559 -5.608 4.277 1.00 0.00 C ATOM 0 H ALA A 82 -3.310 -5.781 5.260 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.410 -7.671 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.495 -5.750 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.772 -5.251 5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.946 -4.874 3.754 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.521 -6.915 2.285 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.212 -7.327 0.923 1.00 0.00 C ATOM 1206 C LEU A 83 -2.856 -8.811 0.874 1.00 0.00 C ATOM 1207 O LEU A 83 -3.411 -9.562 0.073 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.040 -6.473 0.388 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.214 -6.209 -1.109 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.995 -5.438 -1.629 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.362 -7.541 -1.850 1.00 0.00 C ATOM 0 H LEU A 83 -2.900 -6.203 2.670 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.090 -7.173 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.994 -5.527 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.096 -6.987 0.566 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.111 -5.613 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.113 -5.247 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.910 -4.490 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.094 -6.028 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.486 -7.352 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.470 -8.147 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.235 -8.073 -1.472 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.944 -9.233 1.739 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.557 -10.631 1.774 1.00 0.00 C ATOM 1225 C VAL A 84 -2.754 -11.480 2.166 1.00 0.00 C ATOM 1226 O VAL A 84 -2.878 -12.624 1.728 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.403 -10.828 2.759 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.882 -10.500 4.173 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.098 -12.278 2.714 1.00 0.00 C ATOM 0 H VAL A 84 -1.467 -8.636 2.415 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.219 -10.942 0.785 1.00 0.00 H new ATOM 0 HB VAL A 84 0.415 -10.164 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.061 -10.640 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.221 -9.465 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.706 -11.161 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.919 -12.401 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.715 -12.952 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.447 -12.511 1.708 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.645 -10.917 2.976 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.829 -11.644 3.386 1.00 0.00 C ATOM 1241 C ALA A 85 -5.623 -12.058 2.157 1.00 0.00 C ATOM 1242 O ALA A 85 -6.245 -13.117 2.137 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.699 -10.786 4.305 1.00 0.00 C ATOM 0 H ALA A 85 -3.567 -9.973 3.354 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.521 -12.533 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.583 -11.351 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.130 -10.511 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.006 -9.883 3.777 1.00 0.00 H new