USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=18 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 24:sc= 0.272 USER MOD Single : A 14 SER OG : rot -83:sc= -0.537! USER MOD Single : A 22 CYS SG : rot 148:sc= -0.905 USER MOD Single : A 26 HIS : no HE2:sc= -0.985 K(o=-0.98,f=-2.5) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.614 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 42 SER OG : rot 74:sc= -0.268 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.47 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 HD1:sc= -0.0223 X(o=-0.022,f=-0.5) 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= -1.66 K(o=-1.7,f=-3.9!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00894 USER MOD Single : A 80 SER OG : rot -90:sc= 1.2 USER MOD Single : A 81 THR OG1 : rot 111:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.109 -12.404 -2.235 1.00 0.00 N ATOM 137 CA THR A 11 4.578 -12.650 -0.871 1.00 0.00 C ATOM 138 C THR A 11 4.534 -11.365 -0.051 1.00 0.00 C ATOM 139 O THR A 11 4.620 -10.268 -0.590 1.00 0.00 O ATOM 140 CB THR A 11 6.008 -13.186 -0.909 1.00 0.00 C ATOM 141 OG1 THR A 11 6.077 -14.276 -1.819 1.00 0.00 O ATOM 142 CG2 THR A 11 6.411 -13.656 0.486 1.00 0.00 C ATOM 0 HA THR A 11 3.924 -13.386 -0.403 1.00 0.00 H new ATOM 0 HB THR A 11 6.687 -12.398 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.350 -14.203 -2.472 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.431 -14.039 0.460 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.355 -12.819 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.735 -14.446 0.813 1.00 0.00 H new ATOM 150 N LEU A 12 4.401 -11.513 1.253 1.00 0.00 N ATOM 151 CA LEU A 12 4.335 -10.354 2.137 1.00 0.00 C ATOM 152 C LEU A 12 5.444 -9.368 1.815 1.00 0.00 C ATOM 153 O LEU A 12 5.225 -8.156 1.816 1.00 0.00 O ATOM 154 CB LEU A 12 4.476 -10.800 3.595 1.00 0.00 C ATOM 155 CG LEU A 12 3.521 -11.990 3.871 1.00 0.00 C ATOM 156 CD1 LEU A 12 4.294 -13.319 3.776 1.00 0.00 C ATOM 157 CD2 LEU A 12 2.913 -11.856 5.274 1.00 0.00 C ATOM 0 H LEU A 12 4.337 -12.415 1.726 1.00 0.00 H new ATOM 0 HA LEU A 12 3.370 -9.869 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.506 -11.093 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.243 -9.971 4.263 1.00 0.00 H new ATOM 0 HG LEU A 12 2.725 -11.981 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.615 -14.149 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.717 -13.423 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.097 -13.326 4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.243 -12.695 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.710 -11.855 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.353 -10.923 5.340 1.00 0.00 H new ATOM 169 N ASP A 13 6.631 -9.888 1.545 1.00 0.00 N ATOM 170 CA ASP A 13 7.762 -9.036 1.226 1.00 0.00 C ATOM 171 C ASP A 13 7.530 -8.310 -0.089 1.00 0.00 C ATOM 172 O ASP A 13 7.857 -7.139 -0.209 1.00 0.00 O ATOM 173 CB ASP A 13 9.039 -9.864 1.113 1.00 0.00 C ATOM 174 CG ASP A 13 9.072 -10.918 2.223 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.865 -10.551 3.368 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.291 -12.079 1.911 1.00 0.00 O ATOM 0 H ASP A 13 6.834 -10.888 1.541 1.00 0.00 H new ATOM 0 HA ASP A 13 7.868 -8.308 2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.085 -10.348 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.912 -9.216 1.188 1.00 0.00 H new ATOM 181 N SER A 14 6.960 -9.013 -1.075 1.00 0.00 N ATOM 182 CA SER A 14 6.693 -8.412 -2.376 1.00 0.00 C ATOM 183 C SER A 14 5.644 -7.312 -2.251 1.00 0.00 C ATOM 184 O SER A 14 5.738 -6.253 -2.891 1.00 0.00 O ATOM 185 CB SER A 14 6.227 -9.477 -3.350 1.00 0.00 C ATOM 186 OG SER A 14 5.007 -10.045 -2.891 1.00 0.00 O ATOM 0 H SER A 14 6.679 -9.990 -0.993 1.00 0.00 H new ATOM 0 HA SER A 14 7.614 -7.966 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.087 -9.042 -4.340 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.987 -10.253 -3.447 1.00 0.00 H new ATOM 0 HG SER A 14 5.199 -10.745 -2.233 1.00 0.00 H new ATOM 192 N LEU A 15 4.628 -7.561 -1.442 1.00 0.00 N ATOM 193 CA LEU A 15 3.582 -6.578 -1.254 1.00 0.00 C ATOM 194 C LEU A 15 4.126 -5.434 -0.398 1.00 0.00 C ATOM 195 O LEU A 15 4.279 -4.312 -0.868 1.00 0.00 O ATOM 196 CB LEU A 15 2.383 -7.220 -0.548 1.00 0.00 C ATOM 197 CG LEU A 15 1.982 -8.495 -1.291 1.00 0.00 C ATOM 198 CD1 LEU A 15 0.982 -9.279 -0.451 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.354 -8.137 -2.641 1.00 0.00 C ATOM 0 H LEU A 15 4.508 -8.424 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 15 3.260 -6.197 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.637 -7.453 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.546 -6.522 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 15 2.869 -9.105 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.696 -10.188 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.437 -9.543 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.097 -8.668 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.071 -9.050 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.468 -7.522 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.075 -7.583 -3.242 1.00 0.00 H new ATOM 211 N ARG A 16 4.406 -5.725 0.860 1.00 0.00 N ATOM 212 CA ARG A 16 4.903 -4.698 1.776 1.00 0.00 C ATOM 213 C ARG A 16 5.828 -3.714 1.039 1.00 0.00 C ATOM 214 O ARG A 16 5.638 -2.483 1.101 1.00 0.00 O ATOM 215 CB ARG A 16 5.692 -5.373 2.899 1.00 0.00 C ATOM 216 CG ARG A 16 6.386 -4.302 3.783 1.00 0.00 C ATOM 217 CD ARG A 16 7.873 -4.190 3.413 1.00 0.00 C ATOM 218 NE ARG A 16 8.538 -3.263 4.309 1.00 0.00 N ATOM 219 CZ ARG A 16 8.915 -3.641 5.522 1.00 0.00 C ATOM 220 NH1 ARG A 16 8.681 -4.859 5.929 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.516 -2.794 6.307 1.00 0.00 N ATOM 0 H ARG A 16 4.301 -6.652 1.273 1.00 0.00 H new ATOM 0 HA ARG A 16 4.054 -4.148 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.024 -5.981 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.438 -6.046 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.897 -3.337 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.285 -4.567 4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.346 -5.170 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.975 -3.850 2.383 1.00 0.00 H new ATOM 0 HE ARG A 16 8.718 -2.307 4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.208 -5.520 5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.971 -5.149 6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.696 -1.842 5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.807 -3.082 7.241 1.00 0.00 H new ATOM 235 N VAL A 17 6.816 -4.264 0.333 1.00 0.00 N ATOM 236 CA VAL A 17 7.754 -3.433 -0.415 1.00 0.00 C ATOM 237 C VAL A 17 7.015 -2.631 -1.480 1.00 0.00 C ATOM 238 O VAL A 17 7.369 -1.486 -1.765 1.00 0.00 O ATOM 239 CB VAL A 17 8.824 -4.314 -1.075 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.556 -5.143 0.007 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.151 -5.245 -2.069 1.00 0.00 C ATOM 0 H VAL A 17 6.985 -5.268 0.264 1.00 0.00 H new ATOM 0 HA VAL A 17 8.237 -2.741 0.275 1.00 0.00 H new ATOM 0 HB VAL A 17 9.551 -3.688 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.315 -5.767 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.032 -4.470 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.838 -5.776 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.903 -5.875 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.428 -5.872 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.639 -4.656 -2.830 1.00 0.00 H new ATOM 251 N TRP A 18 5.988 -3.235 -2.074 1.00 0.00 N ATOM 252 CA TRP A 18 5.215 -2.544 -3.101 1.00 0.00 C ATOM 253 C TRP A 18 4.586 -1.268 -2.526 1.00 0.00 C ATOM 254 O TRP A 18 4.672 -0.199 -3.128 1.00 0.00 O ATOM 255 CB TRP A 18 4.115 -3.491 -3.643 1.00 0.00 C ATOM 256 CG TRP A 18 2.748 -3.004 -3.233 1.00 0.00 C ATOM 257 CD1 TRP A 18 1.993 -3.496 -2.218 1.00 0.00 C ATOM 258 CD2 TRP A 18 1.982 -1.904 -3.792 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.842 -2.786 -2.125 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.776 -1.794 -3.065 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.204 -0.997 -4.844 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.163 -0.832 -3.370 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.253 -0.025 -5.150 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.072 0.052 -4.407 1.00 0.00 C ATOM 0 H TRP A 18 5.677 -4.184 -1.867 1.00 0.00 H new ATOM 0 HA TRP A 18 5.877 -2.260 -3.919 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.177 -3.545 -4.730 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.277 -4.500 -3.264 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.267 -4.325 -1.583 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.112 -2.969 -1.436 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.117 -1.054 -5.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.079 -0.769 -2.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.429 0.667 -5.960 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.662 0.807 -4.644 1.00 0.00 H new ATOM 275 N LEU A 19 3.928 -1.397 -1.377 1.00 0.00 N ATOM 276 CA LEU A 19 3.270 -0.262 -0.775 1.00 0.00 C ATOM 277 C LEU A 19 4.252 0.860 -0.541 1.00 0.00 C ATOM 278 O LEU A 19 4.083 1.962 -1.064 1.00 0.00 O ATOM 279 CB LEU A 19 2.660 -0.702 0.567 1.00 0.00 C ATOM 280 CG LEU A 19 1.125 -0.923 0.449 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.717 -2.178 1.201 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.382 0.299 1.007 1.00 0.00 C ATOM 0 H LEU A 19 3.842 -2.270 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 19 2.490 0.099 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.137 -1.624 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.863 0.054 1.326 1.00 0.00 H new ATOM 0 HG LEU A 19 0.862 -1.049 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.360 -2.322 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.235 -3.039 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.983 -2.074 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.693 0.141 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.647 0.439 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.664 1.186 0.440 1.00 0.00 H new ATOM 294 N VAL A 20 5.273 0.595 0.262 1.00 0.00 N ATOM 295 CA VAL A 20 6.255 1.627 0.553 1.00 0.00 C ATOM 296 C VAL A 20 6.926 2.112 -0.725 1.00 0.00 C ATOM 297 O VAL A 20 7.013 3.317 -0.974 1.00 0.00 O ATOM 298 CB VAL A 20 7.312 1.063 1.507 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.936 -0.197 0.894 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.401 2.110 1.740 1.00 0.00 C ATOM 0 H VAL A 20 5.441 -0.304 0.714 1.00 0.00 H new ATOM 0 HA VAL A 20 5.748 2.473 1.017 1.00 0.00 H new ATOM 0 HB VAL A 20 6.843 0.810 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.688 -0.598 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.160 -0.945 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.404 0.055 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.153 1.708 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.870 2.365 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.958 3.005 2.178 1.00 0.00 H new ATOM 310 N ASP A 21 7.405 1.174 -1.532 1.00 0.00 N ATOM 311 CA ASP A 21 8.082 1.529 -2.773 1.00 0.00 C ATOM 312 C ASP A 21 7.163 2.364 -3.660 1.00 0.00 C ATOM 313 O ASP A 21 7.612 3.280 -4.359 1.00 0.00 O ATOM 314 CB ASP A 21 8.496 0.256 -3.518 1.00 0.00 C ATOM 315 CG ASP A 21 9.231 0.616 -4.803 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.541 1.782 -4.977 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.475 -0.280 -5.595 1.00 0.00 O ATOM 0 H ASP A 21 7.339 0.172 -1.353 1.00 0.00 H new ATOM 0 HA ASP A 21 8.968 2.116 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.137 -0.354 -2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.615 -0.342 -3.750 1.00 0.00 H new ATOM 322 N CYS A 22 5.872 2.049 -3.619 1.00 0.00 N ATOM 323 CA CYS A 22 4.897 2.783 -4.419 1.00 0.00 C ATOM 324 C CYS A 22 4.867 4.247 -4.004 1.00 0.00 C ATOM 325 O CYS A 22 4.899 5.140 -4.851 1.00 0.00 O ATOM 326 CB CYS A 22 3.512 2.171 -4.249 1.00 0.00 C ATOM 327 SG CYS A 22 2.287 3.168 -5.130 1.00 0.00 S ATOM 0 H CYS A 22 5.480 1.300 -3.048 1.00 0.00 H new ATOM 0 HA CYS A 22 5.190 2.719 -5.467 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.506 1.150 -4.632 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.256 2.116 -3.191 1.00 0.00 H new ATOM 0 HG CYS A 22 1.334 2.399 -5.566 1.00 0.00 H new ATOM 333 N VAL A 23 4.798 4.488 -2.696 1.00 0.00 N ATOM 334 CA VAL A 23 4.758 5.859 -2.196 1.00 0.00 C ATOM 335 C VAL A 23 6.035 6.597 -2.610 1.00 0.00 C ATOM 336 O VAL A 23 5.974 7.726 -3.098 1.00 0.00 O ATOM 337 CB VAL A 23 4.644 5.849 -0.676 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.555 7.282 -0.146 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.387 5.087 -0.259 1.00 0.00 C ATOM 0 H VAL A 23 4.769 3.766 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 23 3.893 6.370 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 23 5.527 5.362 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.474 7.264 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.451 7.833 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.677 7.772 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.309 5.082 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.509 5.573 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.446 4.061 -0.623 1.00 0.00 H new ATOM 349 N ALA A 24 7.187 5.957 -2.410 1.00 0.00 N ATOM 350 CA ALA A 24 8.463 6.572 -2.765 1.00 0.00 C ATOM 351 C ALA A 24 8.412 7.090 -4.191 1.00 0.00 C ATOM 352 O ALA A 24 8.749 8.237 -4.445 1.00 0.00 O ATOM 353 CB ALA A 24 9.585 5.545 -2.633 1.00 0.00 C ATOM 0 H ALA A 24 7.262 5.022 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 24 8.654 7.406 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.535 6.008 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.631 5.187 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.391 4.706 -3.301 1.00 0.00 H new ATOM 359 N GLY A 25 7.993 6.240 -5.114 1.00 0.00 N ATOM 360 CA GLY A 25 7.905 6.646 -6.515 1.00 0.00 C ATOM 361 C GLY A 25 6.883 7.765 -6.690 1.00 0.00 C ATOM 362 O GLY A 25 7.142 8.749 -7.385 1.00 0.00 O ATOM 0 H GLY A 25 7.711 5.278 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.882 6.981 -6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.624 5.791 -7.129 1.00 0.00 H new ATOM 366 N HIS A 26 5.722 7.607 -6.066 1.00 0.00 N ATOM 367 CA HIS A 26 4.677 8.612 -6.179 1.00 0.00 C ATOM 368 C HIS A 26 5.185 9.983 -5.754 1.00 0.00 C ATOM 369 O HIS A 26 5.087 10.948 -6.513 1.00 0.00 O ATOM 370 CB HIS A 26 3.489 8.223 -5.284 1.00 0.00 C ATOM 371 CG HIS A 26 2.590 9.410 -5.057 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.238 10.271 -6.082 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.999 9.907 -3.924 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.467 11.237 -5.553 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.289 11.062 -4.239 1.00 0.00 N ATOM 0 H HIS A 26 5.484 6.804 -5.485 1.00 0.00 H new ATOM 0 HA HIS A 26 4.366 8.661 -7.223 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.924 7.415 -5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.854 7.847 -4.328 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.513 10.188 -7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.073 9.470 -2.939 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.044 12.053 -6.119 1.00 0.00 H new ATOM 384 N LEU A 27 5.712 10.077 -4.533 1.00 0.00 N ATOM 385 CA LEU A 27 6.208 11.354 -4.040 1.00 0.00 C ATOM 386 C LEU A 27 7.617 11.617 -4.539 1.00 0.00 C ATOM 387 O LEU A 27 7.986 12.754 -4.812 1.00 0.00 O ATOM 388 CB LEU A 27 6.177 11.325 -2.509 1.00 0.00 C ATOM 389 CG LEU A 27 4.749 11.631 -2.002 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.532 10.975 -0.638 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.565 13.150 -1.863 1.00 0.00 C ATOM 0 H LEU A 27 5.804 9.298 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 27 5.575 12.160 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.498 10.347 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.878 12.057 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 27 4.027 11.236 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.524 11.194 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.658 9.896 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.259 11.367 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.558 13.363 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.293 13.541 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.714 13.625 -2.833 1.00 0.00 H new ATOM 403 N GLY A 28 8.400 10.558 -4.653 1.00 0.00 N ATOM 404 CA GLY A 28 9.782 10.664 -5.120 1.00 0.00 C ATOM 405 C GLY A 28 10.778 10.643 -3.965 1.00 0.00 C ATOM 406 O GLY A 28 11.990 10.632 -4.181 1.00 0.00 O ATOM 0 H GLY A 28 8.105 9.608 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.999 9.841 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.903 11.587 -5.687 1.00 0.00 H new ATOM 410 N LEU A 29 10.270 10.631 -2.740 1.00 0.00 N ATOM 411 CA LEU A 29 11.128 10.610 -1.559 1.00 0.00 C ATOM 412 C LEU A 29 11.815 9.258 -1.436 1.00 0.00 C ATOM 413 O LEU A 29 11.672 8.399 -2.305 1.00 0.00 O ATOM 414 CB LEU A 29 10.303 10.888 -0.305 1.00 0.00 C ATOM 415 CG LEU A 29 9.595 12.237 -0.436 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.698 12.466 0.785 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.629 13.370 -0.540 1.00 0.00 C ATOM 0 H LEU A 29 9.271 10.635 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 29 11.886 11.386 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.569 10.095 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.949 10.890 0.573 1.00 0.00 H new ATOM 0 HG LEU A 29 8.985 12.232 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.194 13.428 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.955 11.671 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.307 12.462 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.113 14.326 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.251 13.379 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.257 13.210 -1.416 1.00 0.00 H new ATOM 429 N ASP A 30 12.564 9.081 -0.356 1.00 0.00 N ATOM 430 CA ASP A 30 13.278 7.827 -0.122 1.00 0.00 C ATOM 431 C ASP A 30 12.380 6.817 0.583 1.00 0.00 C ATOM 432 O ASP A 30 11.785 7.124 1.614 1.00 0.00 O ATOM 433 CB ASP A 30 14.524 8.083 0.719 1.00 0.00 C ATOM 434 CG ASP A 30 15.291 6.783 0.923 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.776 5.748 0.534 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.382 6.841 1.466 1.00 0.00 O ATOM 0 H ASP A 30 12.695 9.785 0.371 1.00 0.00 H new ATOM 0 HA ASP A 30 13.573 7.416 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.161 8.817 0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.241 8.503 1.684 1.00 0.00 H new ATOM 441 N ALA A 31 12.292 5.616 0.020 1.00 0.00 N ATOM 442 CA ALA A 31 11.466 4.563 0.601 1.00 0.00 C ATOM 443 C ALA A 31 11.884 4.259 2.032 1.00 0.00 C ATOM 444 O ALA A 31 11.039 3.946 2.884 1.00 0.00 O ATOM 445 CB ALA A 31 11.571 3.288 -0.237 1.00 0.00 C ATOM 0 H ALA A 31 12.780 5.348 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 31 10.435 4.916 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.950 2.509 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.229 3.491 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.608 2.954 -0.263 1.00 0.00 H new ATOM 451 N ALA A 32 13.180 4.369 2.304 1.00 0.00 N ATOM 452 CA ALA A 32 13.698 4.088 3.631 1.00 0.00 C ATOM 453 C ALA A 32 13.170 5.061 4.666 1.00 0.00 C ATOM 454 O ALA A 32 13.219 4.788 5.864 1.00 0.00 O ATOM 455 CB ALA A 32 15.228 4.145 3.608 1.00 0.00 C ATOM 0 H ALA A 32 13.886 4.650 1.623 1.00 0.00 H new ATOM 0 HA ALA A 32 13.362 3.090 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.615 3.934 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.609 3.403 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.550 5.139 3.297 1.00 0.00 H new ATOM 461 N THR A 33 12.674 6.201 4.202 1.00 0.00 N ATOM 462 CA THR A 33 12.142 7.220 5.101 1.00 0.00 C ATOM 463 C THR A 33 10.788 7.705 4.624 1.00 0.00 C ATOM 464 O THR A 33 10.473 8.893 4.714 1.00 0.00 O ATOM 465 CB THR A 33 13.123 8.392 5.193 1.00 0.00 C ATOM 466 OG1 THR A 33 13.612 8.695 3.897 1.00 0.00 O ATOM 467 CG2 THR A 33 14.293 8.014 6.106 1.00 0.00 C ATOM 0 H THR A 33 12.628 6.444 3.212 1.00 0.00 H new ATOM 0 HA THR A 33 12.015 6.780 6.090 1.00 0.00 H new ATOM 0 HB THR A 33 12.613 9.263 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.239 9.446 3.951 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.990 8.850 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.916 7.779 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.807 7.144 5.698 1.00 0.00 H new ATOM 475 N ILE A 34 9.973 6.778 4.126 1.00 0.00 N ATOM 476 CA ILE A 34 8.644 7.158 3.671 1.00 0.00 C ATOM 477 C ILE A 34 7.700 7.311 4.851 1.00 0.00 C ATOM 478 O ILE A 34 7.340 8.428 5.222 1.00 0.00 O ATOM 479 CB ILE A 34 8.110 6.090 2.683 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.503 6.479 1.253 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.578 5.959 2.753 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.784 7.763 0.813 1.00 0.00 C ATOM 0 H ILE A 34 10.202 5.789 4.030 1.00 0.00 H new ATOM 0 HA ILE A 34 8.704 8.119 3.160 1.00 0.00 H new ATOM 0 HB ILE A 34 8.550 5.133 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.582 6.624 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.254 5.667 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.245 5.200 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.283 5.669 3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.119 6.915 2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.081 8.016 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.706 7.607 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.054 8.579 1.483 1.00 0.00 H new ATOM 494 N ALA A 35 7.280 6.184 5.400 1.00 0.00 N ATOM 495 CA ALA A 35 6.346 6.185 6.501 1.00 0.00 C ATOM 496 C ALA A 35 5.861 4.779 6.795 1.00 0.00 C ATOM 497 O ALA A 35 4.793 4.608 7.358 1.00 0.00 O ATOM 498 CB ALA A 35 5.137 7.095 6.205 1.00 0.00 C ATOM 0 H ALA A 35 7.575 5.256 5.096 1.00 0.00 H new ATOM 0 HA ALA A 35 6.871 6.573 7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.451 7.076 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.482 8.116 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.622 6.738 5.313 1.00 0.00 H new ATOM 504 N THR A 36 6.615 3.770 6.376 1.00 0.00 N ATOM 505 CA THR A 36 6.221 2.382 6.596 1.00 0.00 C ATOM 506 C THR A 36 5.567 2.216 7.959 1.00 0.00 C ATOM 507 O THR A 36 4.576 1.499 8.093 1.00 0.00 O ATOM 508 CB THR A 36 7.471 1.497 6.550 1.00 0.00 C ATOM 509 OG1 THR A 36 8.262 1.745 7.709 1.00 0.00 O ATOM 510 CG2 THR A 36 8.290 1.822 5.300 1.00 0.00 C ATOM 0 H THR A 36 7.501 3.885 5.883 1.00 0.00 H new ATOM 0 HA THR A 36 5.510 2.096 5.821 1.00 0.00 H new ATOM 0 HB THR A 36 7.172 0.449 6.522 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.062 1.180 7.686 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.178 1.190 5.272 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.686 1.639 4.411 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.591 2.869 5.324 1.00 0.00 H new ATOM 518 N ASP A 37 6.112 2.891 8.978 1.00 0.00 N ATOM 519 CA ASP A 37 5.557 2.811 10.324 1.00 0.00 C ATOM 520 C ASP A 37 4.784 4.076 10.671 1.00 0.00 C ATOM 521 O ASP A 37 4.570 4.385 11.837 1.00 0.00 O ATOM 522 CB ASP A 37 6.691 2.618 11.328 1.00 0.00 C ATOM 523 CG ASP A 37 6.120 2.255 12.691 1.00 0.00 C ATOM 524 OD1 ASP A 37 4.907 2.285 12.830 1.00 0.00 O ATOM 525 OD2 ASP A 37 6.900 1.947 13.573 1.00 0.00 O ATOM 0 H ASP A 37 6.931 3.493 8.892 1.00 0.00 H new ATOM 0 HA ASP A 37 4.871 1.965 10.366 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.363 1.831 10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.281 3.531 11.403 1.00 0.00 H new ATOM 530 N LEU A 38 4.358 4.803 9.645 1.00 0.00 N ATOM 531 CA LEU A 38 3.594 6.032 9.841 1.00 0.00 C ATOM 532 C LEU A 38 2.423 6.109 8.872 1.00 0.00 C ATOM 533 O LEU A 38 2.449 5.509 7.800 1.00 0.00 O ATOM 534 CB LEU A 38 4.509 7.268 9.644 1.00 0.00 C ATOM 535 CG LEU A 38 5.112 7.731 10.998 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.502 7.131 11.167 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.198 9.251 11.020 1.00 0.00 C ATOM 0 H LEU A 38 4.528 4.564 8.668 1.00 0.00 H new ATOM 0 HA LEU A 38 3.204 6.025 10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.312 7.024 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.937 8.082 9.199 1.00 0.00 H new ATOM 0 HG LEU A 38 4.475 7.395 11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.925 7.456 12.117 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.433 6.043 11.153 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.144 7.464 10.351 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.621 9.578 11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.834 9.591 10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.200 9.674 10.903 1.00 0.00 H new ATOM 549 N PRO A 39 1.411 6.855 9.236 1.00 0.00 N ATOM 550 CA PRO A 39 0.205 7.038 8.386 1.00 0.00 C ATOM 551 C PRO A 39 0.524 7.827 7.112 1.00 0.00 C ATOM 552 O PRO A 39 1.615 8.373 6.960 1.00 0.00 O ATOM 553 CB PRO A 39 -0.771 7.811 9.293 1.00 0.00 C ATOM 554 CG PRO A 39 0.094 8.509 10.293 1.00 0.00 C ATOM 555 CD PRO A 39 1.300 7.606 10.506 1.00 0.00 C ATOM 0 HA PRO A 39 -0.204 6.090 8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.362 8.524 8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.473 7.136 9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.400 9.489 9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.443 8.671 11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.201 8.184 10.708 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.154 6.937 11.354 1.00 0.00 H new ATOM 563 N LEU A 40 -0.445 7.891 6.215 1.00 0.00 N ATOM 564 CA LEU A 40 -0.282 8.626 4.967 1.00 0.00 C ATOM 565 C LEU A 40 -0.298 10.131 5.229 1.00 0.00 C ATOM 566 O LEU A 40 0.221 10.913 4.432 1.00 0.00 O ATOM 567 CB LEU A 40 -1.405 8.259 3.988 1.00 0.00 C ATOM 568 CG LEU A 40 -2.752 8.821 4.481 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.817 8.597 3.417 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.160 8.124 5.781 1.00 0.00 C ATOM 0 H LEU A 40 -1.355 7.443 6.325 1.00 0.00 H new ATOM 0 HA LEU A 40 0.678 8.354 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.178 8.656 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.470 7.175 3.889 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.650 9.890 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.770 8.995 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.526 9.106 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.919 7.529 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.113 8.525 6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.260 7.053 5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.398 8.297 6.541 1.00 0.00 H new ATOM 582 N THR A 41 -0.914 10.527 6.341 1.00 0.00 N ATOM 583 CA THR A 41 -1.010 11.936 6.686 1.00 0.00 C ATOM 584 C THR A 41 0.356 12.588 6.601 1.00 0.00 C ATOM 585 O THR A 41 0.460 13.752 6.241 1.00 0.00 O ATOM 586 CB THR A 41 -1.565 12.096 8.100 1.00 0.00 C ATOM 587 OG1 THR A 41 -0.801 11.301 8.995 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.027 11.653 8.133 1.00 0.00 C ATOM 0 H THR A 41 -1.350 9.894 7.012 1.00 0.00 H new ATOM 0 HA THR A 41 -1.684 12.421 5.980 1.00 0.00 H new ATOM 0 HB THR A 41 -1.504 13.142 8.400 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.153 11.402 9.904 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.419 11.769 9.143 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.609 12.267 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.097 10.607 7.834 1.00 0.00 H new ATOM 596 N SER A 42 1.400 11.845 6.949 1.00 0.00 N ATOM 597 CA SER A 42 2.754 12.379 6.910 1.00 0.00 C ATOM 598 C SER A 42 2.995 13.134 5.605 1.00 0.00 C ATOM 599 O SER A 42 3.748 14.107 5.571 1.00 0.00 O ATOM 600 CB SER A 42 3.762 11.224 7.021 1.00 0.00 C ATOM 601 OG SER A 42 3.792 10.519 5.786 1.00 0.00 O ATOM 0 H SER A 42 1.335 10.876 7.260 1.00 0.00 H new ATOM 0 HA SER A 42 2.882 13.068 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.753 11.610 7.259 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.478 10.553 7.832 1.00 0.00 H new ATOM 0 HG SER A 42 4.262 11.056 5.114 1.00 0.00 H new ATOM 607 N TYR A 43 2.352 12.684 4.534 1.00 0.00 N ATOM 608 CA TYR A 43 2.502 13.330 3.233 1.00 0.00 C ATOM 609 C TYR A 43 1.714 14.628 3.169 1.00 0.00 C ATOM 610 O TYR A 43 1.905 15.435 2.264 1.00 0.00 O ATOM 611 CB TYR A 43 2.026 12.378 2.133 1.00 0.00 C ATOM 612 CG TYR A 43 2.520 10.975 2.408 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.828 10.759 2.870 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.667 9.881 2.203 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.276 9.466 3.121 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.127 8.585 2.455 1.00 0.00 C ATOM 617 CZ TYR A 43 3.423 8.378 2.914 1.00 0.00 C ATOM 618 OH TYR A 43 3.860 7.095 3.145 1.00 0.00 O ATOM 0 H TYR A 43 1.725 11.879 4.539 1.00 0.00 H new ATOM 0 HA TYR A 43 3.556 13.568 3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.937 12.385 2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.393 12.717 1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.488 11.599 3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.658 10.039 1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.283 9.303 3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.473 7.741 2.292 1.00 0.00 H new ATOM 0 HH TYR A 43 3.137 6.463 2.951 1.00 0.00 H new ATOM 628 N GLY A 44 0.845 14.829 4.141 1.00 0.00 N ATOM 629 CA GLY A 44 0.051 16.046 4.201 1.00 0.00 C ATOM 630 C GLY A 44 -0.845 16.156 2.980 1.00 0.00 C ATOM 631 O GLY A 44 -1.207 17.254 2.562 1.00 0.00 O ATOM 0 H GLY A 44 0.670 14.169 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.556 16.047 5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.708 16.914 4.257 1.00 0.00 H new ATOM 635 N LEU A 45 -1.194 15.019 2.402 1.00 0.00 N ATOM 636 CA LEU A 45 -2.050 15.003 1.229 1.00 0.00 C ATOM 637 C LEU A 45 -3.507 15.340 1.581 1.00 0.00 C ATOM 638 O LEU A 45 -4.037 14.917 2.604 1.00 0.00 O ATOM 639 CB LEU A 45 -1.986 13.616 0.568 1.00 0.00 C ATOM 640 CG LEU A 45 -2.817 12.593 1.365 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.715 11.210 0.716 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.288 12.523 2.804 1.00 0.00 C ATOM 0 H LEU A 45 -0.899 14.098 2.725 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.689 15.766 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.359 13.677 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.950 13.283 0.509 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.861 12.906 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.306 10.495 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.093 11.259 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.673 10.890 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.873 11.800 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.243 12.215 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.372 13.504 3.271 1.00 0.00 H new ATOM 654 N ASP A 46 -4.154 16.096 0.719 1.00 0.00 N ATOM 655 CA ASP A 46 -5.545 16.460 0.953 1.00 0.00 C ATOM 656 C ASP A 46 -6.450 15.229 0.855 1.00 0.00 C ATOM 657 O ASP A 46 -6.001 14.142 0.491 1.00 0.00 O ATOM 658 CB ASP A 46 -5.988 17.499 -0.071 1.00 0.00 C ATOM 659 CG ASP A 46 -7.366 18.038 0.297 1.00 0.00 C ATOM 660 OD1 ASP A 46 -7.726 17.947 1.459 1.00 0.00 O ATOM 661 OD2 ASP A 46 -8.043 18.533 -0.589 1.00 0.00 O ATOM 0 H ASP A 46 -3.750 16.469 -0.140 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.627 16.877 1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.267 18.316 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.016 17.053 -1.065 1.00 0.00 H new ATOM 666 N SER A 47 -7.724 15.407 1.193 1.00 0.00 N ATOM 667 CA SER A 47 -8.682 14.308 1.142 1.00 0.00 C ATOM 668 C SER A 47 -8.926 13.876 -0.301 1.00 0.00 C ATOM 669 O SER A 47 -9.141 12.697 -0.578 1.00 0.00 O ATOM 670 CB SER A 47 -10.001 14.737 1.782 1.00 0.00 C ATOM 671 OG SER A 47 -10.514 15.866 1.089 1.00 0.00 O ATOM 0 H SER A 47 -8.115 16.297 1.503 1.00 0.00 H new ATOM 0 HA SER A 47 -8.270 13.464 1.695 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.719 13.917 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.846 14.981 2.833 1.00 0.00 H new ATOM 0 HG SER A 47 -11.361 16.143 1.496 1.00 0.00 H new ATOM 677 N VAL A 48 -8.890 14.840 -1.214 1.00 0.00 N ATOM 678 CA VAL A 48 -9.107 14.553 -2.626 1.00 0.00 C ATOM 679 C VAL A 48 -7.955 13.728 -3.187 1.00 0.00 C ATOM 680 O VAL A 48 -8.110 13.016 -4.177 1.00 0.00 O ATOM 681 CB VAL A 48 -9.241 15.857 -3.413 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.376 15.541 -4.905 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.486 16.609 -2.938 1.00 0.00 C ATOM 0 H VAL A 48 -8.713 15.822 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.029 13.979 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.357 16.474 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.472 16.470 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.492 15.001 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.261 14.926 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.585 17.539 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.369 15.991 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.393 16.833 -1.875 1.00 0.00 H new ATOM 693 N TYR A 49 -6.798 13.832 -2.546 1.00 0.00 N ATOM 694 CA TYR A 49 -5.631 13.086 -2.995 1.00 0.00 C ATOM 695 C TYR A 49 -5.872 11.580 -2.899 1.00 0.00 C ATOM 696 O TYR A 49 -5.621 10.840 -3.849 1.00 0.00 O ATOM 697 CB TYR A 49 -4.406 13.472 -2.135 1.00 0.00 C ATOM 698 CG TYR A 49 -3.270 13.938 -3.018 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.462 15.021 -3.880 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.035 13.280 -2.984 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.421 15.448 -4.709 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.997 13.705 -3.805 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.185 14.790 -4.671 1.00 0.00 C ATOM 704 OH TYR A 49 -0.157 15.209 -5.491 1.00 0.00 O ATOM 0 H TYR A 49 -6.644 14.417 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.443 13.337 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.679 14.262 -1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.086 12.616 -1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.415 15.528 -3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.889 12.441 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.569 16.283 -5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.044 13.198 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 49 0.632 14.647 -5.340 1.00 0.00 H new ATOM 714 N ALA A 50 -6.348 11.139 -1.746 1.00 0.00 N ATOM 715 CA ALA A 50 -6.601 9.724 -1.536 1.00 0.00 C ATOM 716 C ALA A 50 -7.493 9.177 -2.638 1.00 0.00 C ATOM 717 O ALA A 50 -7.236 8.113 -3.188 1.00 0.00 O ATOM 718 CB ALA A 50 -7.278 9.510 -0.180 1.00 0.00 C ATOM 0 H ALA A 50 -6.565 11.735 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.648 9.195 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.464 8.447 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.629 9.880 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.224 10.051 -0.156 1.00 0.00 H new ATOM 724 N LEU A 51 -8.543 9.905 -2.955 1.00 0.00 N ATOM 725 CA LEU A 51 -9.463 9.466 -3.990 1.00 0.00 C ATOM 726 C LEU A 51 -8.718 9.024 -5.248 1.00 0.00 C ATOM 727 O LEU A 51 -8.772 7.850 -5.643 1.00 0.00 O ATOM 728 CB LEU A 51 -10.419 10.609 -4.344 1.00 0.00 C ATOM 729 CG LEU A 51 -11.429 10.138 -5.429 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.841 10.580 -5.048 1.00 0.00 C ATOM 731 CD2 LEU A 51 -11.052 10.750 -6.785 1.00 0.00 C ATOM 0 H LEU A 51 -8.782 10.795 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.022 8.613 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.955 10.935 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.854 11.467 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.397 9.051 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.545 10.248 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.113 10.141 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.874 11.667 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.761 10.419 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.079 11.837 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.048 10.429 -7.062 1.00 0.00 H new ATOM 743 N SER A 52 -8.011 9.960 -5.871 1.00 0.00 N ATOM 744 CA SER A 52 -7.260 9.652 -7.079 1.00 0.00 C ATOM 745 C SER A 52 -6.096 8.721 -6.777 1.00 0.00 C ATOM 746 O SER A 52 -5.887 7.732 -7.475 1.00 0.00 O ATOM 747 CB SER A 52 -6.727 10.944 -7.699 1.00 0.00 C ATOM 748 OG SER A 52 -6.128 10.650 -8.954 1.00 0.00 O ATOM 0 H SER A 52 -7.943 10.930 -5.562 1.00 0.00 H new ATOM 0 HA SER A 52 -7.931 9.153 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.538 11.660 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.997 11.406 -7.034 1.00 0.00 H new ATOM 0 HG SER A 52 -5.787 11.476 -9.355 1.00 0.00 H new ATOM 754 N ILE A 53 -5.340 9.043 -5.740 1.00 0.00 N ATOM 755 CA ILE A 53 -4.194 8.224 -5.367 1.00 0.00 C ATOM 756 C ILE A 53 -4.621 6.819 -4.982 1.00 0.00 C ATOM 757 O ILE A 53 -4.236 5.846 -5.630 1.00 0.00 O ATOM 758 CB ILE A 53 -3.454 8.875 -4.193 1.00 0.00 C ATOM 759 CG1 ILE A 53 -3.019 10.307 -4.584 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.220 8.033 -3.821 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.667 10.267 -5.314 1.00 0.00 C ATOM 0 H ILE A 53 -5.495 9.857 -5.145 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.532 8.155 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.119 8.926 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.774 10.763 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.941 10.928 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.698 8.501 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.537 7.030 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.550 7.971 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.370 11.280 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.913 9.830 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.758 9.662 -6.216 1.00 0.00 H new ATOM 773 N ALA A 54 -5.428 6.717 -3.940 1.00 0.00 N ATOM 774 CA ALA A 54 -5.900 5.422 -3.480 1.00 0.00 C ATOM 775 C ALA A 54 -6.453 4.613 -4.642 1.00 0.00 C ATOM 776 O ALA A 54 -6.314 3.391 -4.664 1.00 0.00 O ATOM 777 CB ALA A 54 -6.992 5.606 -2.422 1.00 0.00 C ATOM 0 H ALA A 54 -5.769 7.511 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.058 4.885 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.339 4.630 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.588 6.161 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.827 6.158 -2.853 1.00 0.00 H new ATOM 783 N ALA A 55 -7.060 5.306 -5.611 1.00 0.00 N ATOM 784 CA ALA A 55 -7.613 4.631 -6.782 1.00 0.00 C ATOM 785 C ALA A 55 -6.495 4.066 -7.662 1.00 0.00 C ATOM 786 O ALA A 55 -6.558 2.929 -8.112 1.00 0.00 O ATOM 787 CB ALA A 55 -8.458 5.613 -7.590 1.00 0.00 C ATOM 0 H ALA A 55 -7.178 6.319 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.237 3.804 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.869 5.106 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.273 5.987 -6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.836 6.447 -7.914 1.00 0.00 H new ATOM 793 N GLU A 56 -5.480 4.875 -7.906 1.00 0.00 N ATOM 794 CA GLU A 56 -4.357 4.440 -8.735 1.00 0.00 C ATOM 795 C GLU A 56 -3.619 3.276 -8.073 1.00 0.00 C ATOM 796 O GLU A 56 -3.285 2.280 -8.723 1.00 0.00 O ATOM 797 CB GLU A 56 -3.386 5.601 -8.953 1.00 0.00 C ATOM 798 CG GLU A 56 -4.025 6.640 -9.873 1.00 0.00 C ATOM 799 CD GLU A 56 -3.111 7.854 -10.004 1.00 0.00 C ATOM 800 OE1 GLU A 56 -2.050 7.840 -9.401 1.00 0.00 O ATOM 801 OE2 GLU A 56 -3.487 8.781 -10.702 1.00 0.00 O ATOM 0 H GLU A 56 -5.404 5.828 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.749 4.109 -9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.128 6.057 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.458 5.234 -9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.208 6.204 -10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.993 6.945 -9.474 1.00 0.00 H new ATOM 808 N LEU A 57 -3.370 3.406 -6.778 1.00 0.00 N ATOM 809 CA LEU A 57 -2.661 2.360 -6.042 1.00 0.00 C ATOM 810 C LEU A 57 -3.403 1.038 -6.155 1.00 0.00 C ATOM 811 O LEU A 57 -2.874 0.079 -6.672 1.00 0.00 O ATOM 812 CB LEU A 57 -2.554 2.760 -4.554 1.00 0.00 C ATOM 813 CG LEU A 57 -1.272 3.574 -4.320 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.354 4.890 -5.079 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.114 3.845 -2.826 1.00 0.00 C ATOM 0 H LEU A 57 -3.643 4.213 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.664 2.245 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.425 3.347 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.547 1.867 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.411 3.011 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.443 5.465 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.465 4.689 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.213 5.461 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.205 4.422 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.975 4.408 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.049 2.898 -2.289 1.00 0.00 H new ATOM 827 N GLU A 58 -4.615 0.992 -5.648 1.00 0.00 N ATOM 828 CA GLU A 58 -5.397 -0.249 -5.696 1.00 0.00 C ATOM 829 C GLU A 58 -5.617 -0.703 -7.137 1.00 0.00 C ATOM 830 O GLU A 58 -5.644 -1.898 -7.427 1.00 0.00 O ATOM 831 CB GLU A 58 -6.742 -0.041 -5.024 1.00 0.00 C ATOM 832 CG GLU A 58 -7.479 1.157 -5.676 1.00 0.00 C ATOM 833 CD GLU A 58 -8.517 0.671 -6.682 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.123 0.081 -7.673 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.687 0.897 -6.444 1.00 0.00 O ATOM 0 H GLU A 58 -5.085 1.780 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.837 -1.021 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.347 -0.944 -5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.601 0.144 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.965 1.754 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.759 1.806 -6.174 1.00 0.00 H new ATOM 842 N ASP A 59 -5.776 0.260 -8.035 1.00 0.00 N ATOM 843 CA ASP A 59 -6.001 -0.048 -9.444 1.00 0.00 C ATOM 844 C ASP A 59 -4.784 -0.739 -10.051 1.00 0.00 C ATOM 845 O ASP A 59 -4.899 -1.483 -11.025 1.00 0.00 O ATOM 846 CB ASP A 59 -6.299 1.235 -10.223 1.00 0.00 C ATOM 847 CG ASP A 59 -6.373 0.940 -11.717 1.00 0.00 C ATOM 848 OD1 ASP A 59 -7.279 0.227 -12.113 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.520 1.429 -12.440 1.00 0.00 O ATOM 0 H ASP A 59 -5.754 1.256 -7.816 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.856 -0.721 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.241 1.665 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.523 1.975 -10.029 1.00 0.00 H new ATOM 854 N HIS A 60 -3.620 -0.479 -9.475 1.00 0.00 N ATOM 855 CA HIS A 60 -2.386 -1.085 -9.972 1.00 0.00 C ATOM 856 C HIS A 60 -2.373 -2.590 -9.714 1.00 0.00 C ATOM 857 O HIS A 60 -1.911 -3.368 -10.549 1.00 0.00 O ATOM 858 CB HIS A 60 -1.161 -0.410 -9.317 1.00 0.00 C ATOM 859 CG HIS A 60 -0.652 0.692 -10.184 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.505 1.510 -10.905 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.612 1.123 -10.457 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.743 2.387 -11.578 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.557 2.195 -11.340 1.00 0.00 N ATOM 0 H HIS A 60 -3.500 0.139 -8.673 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.337 -0.930 -11.050 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.435 -0.015 -8.339 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.375 -1.147 -9.155 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.517 0.697 -10.050 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.133 3.153 -12.231 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.341 2.722 -11.724 1.00 0.00 H new ATOM 872 N LEU A 61 -2.866 -2.993 -8.552 1.00 0.00 N ATOM 873 CA LEU A 61 -2.894 -4.405 -8.179 1.00 0.00 C ATOM 874 C LEU A 61 -4.230 -5.015 -8.523 1.00 0.00 C ATOM 875 O LEU A 61 -4.592 -6.058 -7.985 1.00 0.00 O ATOM 876 CB LEU A 61 -2.609 -4.569 -6.672 1.00 0.00 C ATOM 877 CG LEU A 61 -1.408 -3.707 -6.265 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.251 -3.918 -7.253 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.818 -2.225 -6.244 1.00 0.00 C ATOM 0 H LEU A 61 -3.253 -2.364 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.118 -4.924 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.487 -4.279 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.409 -5.616 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.078 -4.001 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.598 -3.302 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.044 -4.967 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.572 -3.635 -8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.962 -1.615 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.157 -1.927 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.626 -2.081 -5.526 1.00 0.00 H new ATOM 891 N ASP A 62 -4.954 -4.375 -9.440 1.00 0.00 N ATOM 892 CA ASP A 62 -6.244 -4.883 -9.862 1.00 0.00 C ATOM 893 C ASP A 62 -7.117 -5.198 -8.660 1.00 0.00 C ATOM 894 O ASP A 62 -7.551 -6.336 -8.479 1.00 0.00 O ATOM 895 CB ASP A 62 -6.057 -6.141 -10.692 1.00 0.00 C ATOM 896 CG ASP A 62 -5.417 -5.795 -12.040 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.510 -4.644 -12.437 1.00 0.00 O ATOM 898 OD2 ASP A 62 -4.836 -6.676 -12.648 1.00 0.00 O ATOM 0 H ASP A 62 -4.666 -3.510 -9.898 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.734 -4.116 -10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.428 -6.850 -10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.020 -6.626 -10.852 1.00 0.00 H new ATOM 903 N VAL A 63 -7.369 -4.190 -7.840 1.00 0.00 N ATOM 904 CA VAL A 63 -8.189 -4.371 -6.643 1.00 0.00 C ATOM 905 C VAL A 63 -8.921 -3.089 -6.295 1.00 0.00 C ATOM 906 O VAL A 63 -8.519 -2.013 -6.715 1.00 0.00 O ATOM 907 CB VAL A 63 -7.293 -4.773 -5.461 1.00 0.00 C ATOM 908 CG1 VAL A 63 -6.918 -6.242 -5.579 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.014 -3.937 -5.488 1.00 0.00 C ATOM 0 H VAL A 63 -7.021 -3.241 -7.976 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.921 -5.154 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.832 -4.603 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.283 -6.524 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.822 -6.850 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.380 -6.406 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.376 -4.220 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.484 -4.114 -6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.268 -2.880 -5.409 1.00 0.00 H new ATOM 919 N SER A 64 -10.005 -3.214 -5.531 1.00 0.00 N ATOM 920 CA SER A 64 -10.794 -2.051 -5.120 1.00 0.00 C ATOM 921 C SER A 64 -10.849 -1.986 -3.600 1.00 0.00 C ATOM 922 O SER A 64 -10.882 -3.012 -2.928 1.00 0.00 O ATOM 923 CB SER A 64 -12.208 -2.145 -5.675 1.00 0.00 C ATOM 924 OG SER A 64 -12.829 -3.325 -5.182 1.00 0.00 O ATOM 0 H SER A 64 -10.357 -4.106 -5.184 1.00 0.00 H new ATOM 0 HA SER A 64 -10.322 -1.150 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.785 -1.267 -5.383 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.183 -2.162 -6.765 1.00 0.00 H new ATOM 0 HG SER A 64 -13.741 -3.387 -5.536 1.00 0.00 H new ATOM 930 N LEU A 65 -10.836 -0.772 -3.070 1.00 0.00 N ATOM 931 CA LEU A 65 -10.857 -0.558 -1.615 1.00 0.00 C ATOM 932 C LEU A 65 -12.091 0.243 -1.230 1.00 0.00 C ATOM 933 O LEU A 65 -12.795 0.777 -2.088 1.00 0.00 O ATOM 934 CB LEU A 65 -9.573 0.195 -1.161 1.00 0.00 C ATOM 935 CG LEU A 65 -8.870 0.806 -2.379 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.771 1.893 -3.021 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.541 1.413 -1.933 1.00 0.00 C ATOM 0 H LEU A 65 -10.811 0.087 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.888 -1.527 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.833 0.978 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.900 -0.492 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.683 0.032 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.264 2.322 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.712 1.444 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.971 2.678 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.034 1.850 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.726 2.188 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.913 0.635 -1.498 1.00 0.00 H new ATOM 949 N ASP A 66 -12.344 0.325 0.071 1.00 0.00 N ATOM 950 CA ASP A 66 -13.496 1.070 0.571 1.00 0.00 C ATOM 951 C ASP A 66 -13.081 2.466 1.030 1.00 0.00 C ATOM 952 O ASP A 66 -11.915 2.716 1.307 1.00 0.00 O ATOM 953 CB ASP A 66 -14.140 0.295 1.738 1.00 0.00 C ATOM 954 CG ASP A 66 -15.451 -0.350 1.288 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.408 -1.137 0.358 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.476 -0.035 1.870 1.00 0.00 O ATOM 0 H ASP A 66 -11.773 -0.111 0.795 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.221 1.181 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.454 -0.472 2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.327 0.971 2.573 1.00 0.00 H new ATOM 961 N PRO A 67 -14.024 3.362 1.127 1.00 0.00 N ATOM 962 CA PRO A 67 -13.758 4.761 1.575 1.00 0.00 C ATOM 963 C PRO A 67 -13.327 4.825 3.041 1.00 0.00 C ATOM 964 O PRO A 67 -12.170 5.117 3.346 1.00 0.00 O ATOM 965 CB PRO A 67 -15.110 5.472 1.361 1.00 0.00 C ATOM 966 CG PRO A 67 -16.134 4.380 1.384 1.00 0.00 C ATOM 967 CD PRO A 67 -15.449 3.142 0.820 1.00 0.00 C ATOM 0 HA PRO A 67 -12.938 5.222 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.298 6.205 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.127 6.009 0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.488 4.200 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.004 4.650 0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.823 2.230 1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.617 3.045 -0.252 1.00 0.00 H new ATOM 975 N THR A 68 -14.267 4.553 3.940 1.00 0.00 N ATOM 976 CA THR A 68 -13.979 4.589 5.366 1.00 0.00 C ATOM 977 C THR A 68 -12.901 3.574 5.718 1.00 0.00 C ATOM 978 O THR A 68 -12.264 3.666 6.766 1.00 0.00 O ATOM 979 CB THR A 68 -15.248 4.290 6.167 1.00 0.00 C ATOM 980 OG1 THR A 68 -16.303 5.131 5.719 1.00 0.00 O ATOM 981 CG2 THR A 68 -14.990 4.536 7.653 1.00 0.00 C ATOM 0 H THR A 68 -15.229 4.307 3.707 1.00 0.00 H new ATOM 0 HA THR A 68 -13.620 5.587 5.619 1.00 0.00 H new ATOM 0 HB THR A 68 -15.530 3.247 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.116 4.938 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.896 4.322 8.220 1.00 0.00 H new ATOM 0 HG22 THR A 68 -14.186 3.885 7.995 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.704 5.577 7.805 1.00 0.00 H new ATOM 989 N LEU A 69 -12.702 2.609 4.831 1.00 0.00 N ATOM 990 CA LEU A 69 -11.690 1.584 5.047 1.00 0.00 C ATOM 991 C LEU A 69 -10.284 2.167 4.899 1.00 0.00 C ATOM 992 O LEU A 69 -9.392 1.872 5.689 1.00 0.00 O ATOM 993 CB LEU A 69 -11.897 0.440 4.056 1.00 0.00 C ATOM 994 CG LEU A 69 -10.872 -0.677 4.337 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.373 -1.988 3.727 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.484 -0.317 3.744 1.00 0.00 C ATOM 0 H LEU A 69 -13.224 2.514 3.960 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.791 1.202 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.910 0.048 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.783 0.804 3.035 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.763 -0.789 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.651 -2.780 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.332 -2.253 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.493 -1.866 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.778 -1.121 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.572 -0.186 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.125 0.609 4.194 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.097 3.005 3.888 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.794 3.615 3.650 1.00 0.00 C ATOM 1010 C ILE A 70 -8.327 4.358 4.892 1.00 0.00 C ATOM 1011 O ILE A 70 -7.149 4.311 5.246 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.881 4.572 2.454 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.029 3.761 1.153 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.611 5.428 2.382 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.647 4.645 0.065 1.00 0.00 C ATOM 0 H ILE A 70 -10.823 3.277 3.225 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.069 2.833 3.424 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.747 5.222 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.055 3.394 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.657 2.887 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.677 6.106 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.510 6.007 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.742 4.781 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.751 4.070 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.628 4.990 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.002 5.505 -0.115 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.252 5.045 5.545 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.916 5.794 6.748 1.00 0.00 C ATOM 1029 C TRP A 71 -8.733 4.841 7.926 1.00 0.00 C ATOM 1030 O TRP A 71 -8.349 5.258 9.015 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.027 6.797 7.066 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.966 7.935 6.099 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.874 8.182 5.129 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.955 8.980 5.990 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.487 9.313 4.432 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.309 9.839 4.925 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.776 9.259 6.708 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.523 10.940 4.581 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.983 10.366 6.364 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.356 11.204 5.304 1.00 0.00 C ATOM 0 H TRP A 71 -10.232 5.100 5.267 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.984 6.332 6.577 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.000 6.308 7.008 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.917 7.166 8.086 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.757 7.593 4.930 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.008 9.710 3.650 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.480 8.619 7.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.814 11.583 3.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.080 10.573 6.920 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.742 12.054 5.046 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.012 3.557 7.694 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.874 2.545 8.745 1.00 0.00 C ATOM 1053 C ASP A 72 -7.489 1.918 8.698 1.00 0.00 C ATOM 1054 O ASP A 72 -6.916 1.584 9.732 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.929 1.458 8.573 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.997 0.606 9.835 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.187 0.829 10.721 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.855 -0.257 9.897 1.00 0.00 O ATOM 0 H ASP A 72 -9.332 3.195 6.796 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.013 3.032 9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.901 1.909 8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.685 0.834 7.713 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.950 1.768 7.484 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.616 1.191 7.300 1.00 0.00 C ATOM 1065 C HIS A 73 -4.668 2.207 6.660 1.00 0.00 C ATOM 1066 O HIS A 73 -4.087 1.948 5.606 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.713 -0.049 6.416 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.807 -0.941 6.926 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.208 -0.941 8.253 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.600 -1.868 6.297 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.201 -1.840 8.376 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.479 -2.434 7.213 1.00 0.00 N ATOM 0 H HIS A 73 -7.416 2.037 6.617 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.219 0.916 8.277 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.916 0.241 5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.763 -0.584 6.415 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.821 -0.364 9.000 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.549 -2.120 5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.712 -2.055 9.303 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.499 3.347 7.283 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.598 4.421 6.775 1.00 0.00 C ATOM 1083 C PRO A 74 -2.131 4.044 6.903 1.00 0.00 C ATOM 1084 O PRO A 74 -1.254 4.794 6.486 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.929 5.623 7.674 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.445 5.028 8.941 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.159 3.747 8.538 1.00 0.00 C ATOM 0 HA PRO A 74 -3.751 4.617 5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.045 6.234 7.856 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.674 6.270 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.631 4.820 9.635 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.126 5.713 9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.059 2.977 9.304 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.226 3.915 8.391 1.00 0.00 H new ATOM 1095 N THR A 75 -1.871 2.879 7.483 1.00 0.00 N ATOM 1096 CA THR A 75 -0.495 2.406 7.667 1.00 0.00 C ATOM 1097 C THR A 75 -0.219 1.205 6.776 1.00 0.00 C ATOM 1098 O THR A 75 -1.136 0.541 6.304 1.00 0.00 O ATOM 1099 CB THR A 75 -0.274 2.023 9.138 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.428 1.352 9.628 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.024 3.285 9.969 1.00 0.00 C ATOM 0 H THR A 75 -2.587 2.243 7.834 1.00 0.00 H new ATOM 0 HA THR A 75 0.190 3.208 7.392 1.00 0.00 H new ATOM 0 HB THR A 75 0.592 1.366 9.215 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.289 1.105 10.566 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.132 3.009 11.012 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.861 3.799 9.593 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.887 3.947 9.894 1.00 0.00 H new ATOM 1109 N ILE A 76 1.058 0.920 6.575 1.00 0.00 N ATOM 1110 CA ILE A 76 1.458 -0.218 5.763 1.00 0.00 C ATOM 1111 C ILE A 76 1.163 -1.528 6.483 1.00 0.00 C ATOM 1112 O ILE A 76 0.749 -2.504 5.862 1.00 0.00 O ATOM 1113 CB ILE A 76 2.963 -0.122 5.420 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.157 0.709 4.151 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.552 -1.516 5.189 1.00 0.00 C ATOM 1116 CD1 ILE A 76 2.815 2.156 4.419 1.00 0.00 C ATOM 0 H ILE A 76 1.833 1.459 6.962 1.00 0.00 H new ATOM 0 HA ILE A 76 0.881 -0.201 4.838 1.00 0.00 H new ATOM 0 HB ILE A 76 3.473 0.352 6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.189 0.629 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.525 0.320 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.612 -1.428 4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.433 -2.115 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.031 -1.998 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.957 2.738 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.776 2.231 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.465 2.544 5.203 1.00 0.00 H new ATOM 1128 N ASP A 77 1.407 -1.548 7.780 1.00 0.00 N ATOM 1129 CA ASP A 77 1.191 -2.757 8.560 1.00 0.00 C ATOM 1130 C ASP A 77 -0.214 -3.296 8.324 1.00 0.00 C ATOM 1131 O ASP A 77 -0.398 -4.491 8.081 1.00 0.00 O ATOM 1132 CB ASP A 77 1.381 -2.450 10.046 1.00 0.00 C ATOM 1133 CG ASP A 77 1.070 -3.690 10.879 1.00 0.00 C ATOM 1134 OD1 ASP A 77 0.901 -4.745 10.291 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.998 -3.563 12.090 1.00 0.00 O ATOM 0 H ASP A 77 1.752 -0.750 8.314 1.00 0.00 H new ATOM 0 HA ASP A 77 1.914 -3.511 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.405 -2.125 10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.728 -1.629 10.343 1.00 0.00 H new ATOM 1140 N ALA A 78 -1.204 -2.408 8.387 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.584 -2.810 8.172 1.00 0.00 C ATOM 1142 C ALA A 78 -2.830 -3.120 6.702 1.00 0.00 C ATOM 1143 O ALA A 78 -3.419 -4.148 6.363 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.526 -1.691 8.632 1.00 0.00 C ATOM 0 H ALA A 78 -1.074 -1.416 8.584 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.779 -3.711 8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.560 -1.996 8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.368 -1.495 9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.321 -0.785 8.062 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.390 -2.222 5.833 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.590 -2.416 4.409 1.00 0.00 C ATOM 1152 C LEU A 79 -1.975 -3.732 3.951 1.00 0.00 C ATOM 1153 O LEU A 79 -2.603 -4.502 3.229 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.946 -1.241 3.630 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.882 -0.781 2.500 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.249 -1.984 1.592 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.169 -0.159 3.113 1.00 0.00 C ATOM 0 H LEU A 79 -1.899 -1.364 6.086 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.661 -2.447 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.746 -0.411 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.987 -1.552 3.215 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.375 -0.030 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.912 -1.649 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.341 -2.402 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.752 -2.748 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.833 0.167 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.677 -0.904 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.900 0.697 3.732 1.00 0.00 H new ATOM 1169 N SER A 80 -0.746 -3.974 4.374 1.00 0.00 N ATOM 1170 CA SER A 80 -0.051 -5.196 3.999 1.00 0.00 C ATOM 1171 C SER A 80 -0.790 -6.407 4.542 1.00 0.00 C ATOM 1172 O SER A 80 -0.983 -7.389 3.832 1.00 0.00 O ATOM 1173 CB SER A 80 1.375 -5.172 4.543 1.00 0.00 C ATOM 1174 OG SER A 80 1.335 -5.043 5.957 1.00 0.00 O ATOM 0 H SER A 80 -0.211 -3.346 4.973 1.00 0.00 H new ATOM 0 HA SER A 80 -0.017 -5.261 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.898 -6.087 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.929 -4.342 4.106 1.00 0.00 H new ATOM 0 HG SER A 80 1.344 -4.093 6.199 1.00 0.00 H new ATOM 1180 N THR A 81 -1.205 -6.325 5.806 1.00 0.00 N ATOM 1181 CA THR A 81 -1.928 -7.427 6.436 1.00 0.00 C ATOM 1182 C THR A 81 -3.194 -7.752 5.642 1.00 0.00 C ATOM 1183 O THR A 81 -3.541 -8.919 5.431 1.00 0.00 O ATOM 1184 CB THR A 81 -2.302 -7.050 7.870 1.00 0.00 C ATOM 1185 OG1 THR A 81 -1.119 -6.839 8.629 1.00 0.00 O ATOM 1186 CG2 THR A 81 -3.119 -8.181 8.499 1.00 0.00 C ATOM 0 H THR A 81 -1.055 -5.515 6.408 1.00 0.00 H new ATOM 0 HA THR A 81 -1.284 -8.306 6.450 1.00 0.00 H new ATOM 0 HB THR A 81 -2.895 -6.136 7.862 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.033 -5.886 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.386 -7.912 9.521 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.027 -8.341 7.917 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.527 -9.096 8.507 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.891 -6.717 5.205 1.00 0.00 N ATOM 1195 CA ALA A 82 -5.104 -6.913 4.433 1.00 0.00 C ATOM 1196 C ALA A 82 -4.780 -7.450 3.041 1.00 0.00 C ATOM 1197 O ALA A 82 -5.467 -8.347 2.530 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.855 -5.586 4.300 1.00 0.00 C ATOM 0 H ALA A 82 -3.641 -5.742 5.370 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.727 -7.640 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.765 -5.739 3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.115 -5.214 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.221 -4.858 3.795 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.731 -6.905 2.422 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.351 -7.334 1.090 1.00 0.00 C ATOM 1206 C LEU A 83 -2.966 -8.806 1.074 1.00 0.00 C ATOM 1207 O LEU A 83 -3.462 -9.577 0.256 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.169 -6.461 0.582 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.428 -6.005 -0.854 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.308 -5.073 -1.291 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.472 -7.232 -1.772 1.00 0.00 C ATOM 0 H LEU A 83 -3.141 -6.175 2.822 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.207 -7.209 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.044 -5.593 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.241 -7.030 0.629 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.380 -5.477 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.487 -4.744 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.278 -4.206 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.355 -5.600 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.657 -6.913 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.519 -7.758 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.272 -7.899 -1.450 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.076 -9.190 1.981 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.634 -10.574 2.050 1.00 0.00 C ATOM 1225 C VAL A 84 -2.831 -11.472 2.344 1.00 0.00 C ATOM 1226 O VAL A 84 -2.890 -12.610 1.879 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.570 -10.729 3.139 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.185 -10.438 4.500 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.019 -12.151 3.120 1.00 0.00 C ATOM 0 H VAL A 84 -1.651 -8.570 2.671 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.196 -10.865 1.095 1.00 0.00 H new ATOM 0 HB VAL A 84 0.241 -10.026 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.425 -10.549 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.571 -9.419 4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.000 -11.137 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.738 -12.258 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.829 -12.857 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.428 -12.355 2.147 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.782 -10.951 3.120 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.970 -11.716 3.463 1.00 0.00 C ATOM 1241 C ALA A 85 -5.702 -12.124 2.188 1.00 0.00 C ATOM 1242 O ALA A 85 -6.268 -13.216 2.104 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.896 -10.880 4.347 1.00 0.00 C ATOM 0 H ALA A 85 -3.750 -10.012 3.517 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.672 -12.610 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.783 -11.462 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.373 -10.603 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.194 -9.978 3.812 1.00 0.00 H new