USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 156 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -103:sc= 0.144 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 14.308 -0.513 -9.701 1.00 0.00 N ATOM 109 CA LEU A 7 15.726 -0.700 -10.137 1.00 0.00 C ATOM 110 C LEU A 7 16.591 0.475 -9.668 1.00 0.00 C ATOM 111 O LEU A 7 17.730 0.296 -9.279 1.00 0.00 O ATOM 112 CB LEU A 7 15.780 -0.789 -11.663 1.00 0.00 C ATOM 113 CG LEU A 7 17.175 -1.237 -12.098 1.00 0.00 C ATOM 114 CD1 LEU A 7 17.297 -2.752 -11.937 1.00 0.00 C ATOM 115 CD2 LEU A 7 17.399 -0.862 -13.564 1.00 0.00 C ATOM 0 HA LEU A 7 16.111 -1.619 -9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.031 -1.494 -12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.544 0.180 -12.103 1.00 0.00 H new ATOM 0 HG LEU A 7 17.923 -0.743 -11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.292 -3.072 -12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.139 -3.021 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.548 -3.245 -12.556 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.394 -1.182 -13.873 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.650 -1.355 -14.184 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.313 0.218 -13.681 1.00 0.00 H new ATOM 127 N SER A 8 16.067 1.674 -9.716 1.00 0.00 N ATOM 128 CA SER A 8 16.864 2.864 -9.291 1.00 0.00 C ATOM 129 C SER A 8 16.948 2.937 -7.763 1.00 0.00 C ATOM 130 O SER A 8 17.888 3.483 -7.215 1.00 0.00 O ATOM 131 CB SER A 8 16.197 4.133 -9.818 1.00 0.00 C ATOM 132 OG SER A 8 16.013 4.017 -11.223 1.00 0.00 O ATOM 0 H SER A 8 15.119 1.880 -10.032 1.00 0.00 H new ATOM 0 HA SER A 8 17.872 2.774 -9.696 1.00 0.00 H new ATOM 0 HB2 SER A 8 15.237 4.285 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.813 5.003 -9.591 1.00 0.00 H new ATOM 0 HG SER A 8 15.584 4.829 -11.565 1.00 0.00 H new ATOM 138 N ASP A 9 15.973 2.404 -7.075 1.00 0.00 N ATOM 139 CA ASP A 9 15.991 2.453 -5.582 1.00 0.00 C ATOM 140 C ASP A 9 17.072 1.516 -5.040 1.00 0.00 C ATOM 141 O ASP A 9 17.861 1.893 -4.194 1.00 0.00 O ATOM 142 CB ASP A 9 14.627 2.021 -5.041 1.00 0.00 C ATOM 143 CG ASP A 9 13.751 3.254 -4.819 1.00 0.00 C ATOM 144 OD1 ASP A 9 14.286 4.269 -4.405 1.00 0.00 O ATOM 145 OD2 ASP A 9 12.560 3.163 -5.067 1.00 0.00 O ATOM 0 H ASP A 9 15.163 1.936 -7.482 1.00 0.00 H new ATOM 0 HA ASP A 9 16.208 3.472 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.145 1.341 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.751 1.477 -4.105 1.00 0.00 H new ATOM 150 N ILE A 10 17.108 0.296 -5.514 1.00 0.00 N ATOM 151 CA ILE A 10 18.131 -0.674 -5.021 1.00 0.00 C ATOM 152 C ILE A 10 19.535 -0.158 -5.353 1.00 0.00 C ATOM 153 O ILE A 10 20.423 -0.171 -4.527 1.00 0.00 O ATOM 154 CB ILE A 10 17.879 -2.051 -5.670 1.00 0.00 C ATOM 155 CG1 ILE A 10 18.672 -3.121 -4.917 1.00 0.00 C ATOM 156 CG2 ILE A 10 18.283 -2.069 -7.151 1.00 0.00 C ATOM 157 CD1 ILE A 10 18.216 -4.508 -5.371 1.00 0.00 C ATOM 0 H ILE A 10 16.472 -0.070 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 10 18.055 -0.779 -3.939 1.00 0.00 H new ATOM 0 HB ILE A 10 16.810 -2.256 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 10 19.739 -2.998 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 10 18.523 -3.011 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 10 18.089 -3.057 -7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.703 -1.324 -7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 10 19.345 -1.839 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 10 18.781 -5.270 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.153 -4.629 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 10 18.388 -4.615 -6.442 1.00 0.00 H new ATOM 169 N THR A 11 19.731 0.291 -6.562 1.00 0.00 N ATOM 170 CA THR A 11 21.070 0.807 -6.984 1.00 0.00 C ATOM 171 C THR A 11 21.561 1.896 -6.021 1.00 0.00 C ATOM 172 O THR A 11 22.741 1.992 -5.739 1.00 0.00 O ATOM 173 CB THR A 11 20.955 1.387 -8.393 1.00 0.00 C ATOM 174 OG1 THR A 11 19.670 1.969 -8.560 1.00 0.00 O ATOM 175 CG2 THR A 11 21.151 0.272 -9.421 1.00 0.00 C ATOM 0 H THR A 11 19.013 0.324 -7.286 1.00 0.00 H new ATOM 0 HA THR A 11 21.787 -0.014 -6.970 1.00 0.00 H new ATOM 0 HB THR A 11 21.720 2.150 -8.537 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.105 1.367 -9.088 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.069 0.685 -10.426 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.137 -0.173 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.387 -0.492 -9.279 1.00 0.00 H new ATOM 183 N ASP A 12 20.670 2.710 -5.513 1.00 0.00 N ATOM 184 CA ASP A 12 21.091 3.787 -4.566 1.00 0.00 C ATOM 185 C ASP A 12 21.524 3.153 -3.243 1.00 0.00 C ATOM 186 O ASP A 12 22.416 3.637 -2.572 1.00 0.00 O ATOM 187 CB ASP A 12 19.920 4.739 -4.315 1.00 0.00 C ATOM 188 CG ASP A 12 20.017 5.930 -5.270 1.00 0.00 C ATOM 189 OD1 ASP A 12 20.363 5.716 -6.420 1.00 0.00 O ATOM 190 OD2 ASP A 12 19.745 7.037 -4.834 1.00 0.00 O ATOM 0 H ASP A 12 19.670 2.675 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 12 21.923 4.345 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.975 4.217 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.934 5.086 -3.282 1.00 0.00 H new ATOM 195 N VAL A 13 20.888 2.076 -2.867 1.00 0.00 N ATOM 196 CA VAL A 13 21.238 1.392 -1.588 1.00 0.00 C ATOM 197 C VAL A 13 22.648 0.793 -1.679 1.00 0.00 C ATOM 198 O VAL A 13 23.340 0.673 -0.684 1.00 0.00 O ATOM 199 CB VAL A 13 20.221 0.282 -1.317 1.00 0.00 C ATOM 200 CG1 VAL A 13 20.505 -0.360 0.043 1.00 0.00 C ATOM 201 CG2 VAL A 13 18.809 0.874 -1.308 1.00 0.00 C ATOM 0 H VAL A 13 20.134 1.637 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 13 21.217 2.116 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 13 20.299 -0.473 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 13 19.778 -1.150 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.509 -0.784 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.430 0.396 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 13 18.084 0.083 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.737 1.631 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.599 1.330 -2.276 1.00 0.00 H new ATOM 211 N ILE A 14 23.077 0.412 -2.858 1.00 0.00 N ATOM 212 CA ILE A 14 24.441 -0.183 -3.009 1.00 0.00 C ATOM 213 C ILE A 14 25.496 0.938 -2.946 1.00 0.00 C ATOM 214 O ILE A 14 26.570 0.756 -2.402 1.00 0.00 O ATOM 215 CB ILE A 14 24.514 -0.951 -4.353 1.00 0.00 C ATOM 216 CG1 ILE A 14 23.786 -2.289 -4.202 1.00 0.00 C ATOM 217 CG2 ILE A 14 25.970 -1.242 -4.756 1.00 0.00 C ATOM 218 CD1 ILE A 14 22.306 -2.113 -4.532 1.00 0.00 C ATOM 0 H ILE A 14 22.541 0.488 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 14 24.642 -0.885 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 14 24.052 -0.331 -5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.230 -3.032 -4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 14 23.899 -2.662 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 14 25.985 -1.782 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 14 26.512 -0.303 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 14 26.447 -1.848 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.793 -3.068 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.866 -1.385 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.201 -1.760 -5.558 1.00 0.00 H new ATOM 230 N PHE A 15 25.197 2.085 -3.498 1.00 0.00 N ATOM 231 CA PHE A 15 26.179 3.211 -3.476 1.00 0.00 C ATOM 232 C PHE A 15 26.472 3.618 -2.029 1.00 0.00 C ATOM 233 O PHE A 15 27.606 3.872 -1.666 1.00 0.00 O ATOM 234 CB PHE A 15 25.602 4.407 -4.235 1.00 0.00 C ATOM 235 CG PHE A 15 26.719 5.350 -4.618 1.00 0.00 C ATOM 236 CD1 PHE A 15 27.765 4.901 -5.434 1.00 0.00 C ATOM 237 CD2 PHE A 15 26.710 6.672 -4.157 1.00 0.00 C ATOM 238 CE1 PHE A 15 28.800 5.775 -5.789 1.00 0.00 C ATOM 239 CE2 PHE A 15 27.745 7.545 -4.511 1.00 0.00 C ATOM 240 CZ PHE A 15 28.790 7.096 -5.328 1.00 0.00 C ATOM 0 H PHE A 15 24.314 2.291 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 15 27.105 2.888 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 15 25.078 4.066 -5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 15 24.871 4.926 -3.615 1.00 0.00 H new ATOM 0 HD1 PHE A 15 27.773 3.881 -5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 15 25.904 7.018 -3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 15 29.606 5.429 -6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 15 27.738 8.564 -4.154 1.00 0.00 H new ATOM 0 HZ PHE A 15 29.588 7.770 -5.602 1.00 0.00 H new ATOM 250 N ILE A 16 25.459 3.685 -1.203 1.00 0.00 N ATOM 251 CA ILE A 16 25.671 4.079 0.222 1.00 0.00 C ATOM 252 C ILE A 16 26.299 2.914 1.000 1.00 0.00 C ATOM 253 O ILE A 16 26.946 3.116 2.011 1.00 0.00 O ATOM 254 CB ILE A 16 24.322 4.453 0.850 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.648 5.552 0.010 1.00 0.00 C ATOM 256 CG2 ILE A 16 24.536 4.953 2.283 1.00 0.00 C ATOM 257 CD1 ILE A 16 24.530 6.808 -0.039 1.00 0.00 C ATOM 0 H ILE A 16 24.492 3.483 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 16 26.344 4.935 0.264 1.00 0.00 H new ATOM 0 HB ILE A 16 23.680 3.572 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.469 5.187 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.676 5.799 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 16 23.575 5.217 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 16 25.004 4.167 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.182 5.831 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 16 24.038 7.575 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 16 24.687 7.182 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.492 6.560 -0.487 1.00 0.00 H new ATOM 269 N TYR A 17 26.113 1.700 0.540 1.00 0.00 N ATOM 270 CA TYR A 17 26.697 0.522 1.253 1.00 0.00 C ATOM 271 C TYR A 17 28.223 0.658 1.328 1.00 0.00 C ATOM 272 O TYR A 17 28.809 0.579 2.392 1.00 0.00 O ATOM 273 CB TYR A 17 26.338 -0.757 0.494 1.00 0.00 C ATOM 274 CG TYR A 17 26.256 -1.915 1.460 1.00 0.00 C ATOM 275 CD1 TYR A 17 27.404 -2.347 2.135 1.00 0.00 C ATOM 276 CD2 TYR A 17 25.032 -2.559 1.679 1.00 0.00 C ATOM 277 CE1 TYR A 17 27.328 -3.422 3.028 1.00 0.00 C ATOM 278 CE2 TYR A 17 24.956 -3.635 2.573 1.00 0.00 C ATOM 279 CZ TYR A 17 26.104 -4.066 3.247 1.00 0.00 C ATOM 280 OH TYR A 17 26.031 -5.127 4.127 1.00 0.00 O ATOM 0 H TYR A 17 25.581 1.475 -0.300 1.00 0.00 H new ATOM 0 HA TYR A 17 26.292 0.478 2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.385 -0.631 -0.020 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.088 -0.961 -0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.348 -1.851 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 17 24.146 -2.226 1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 17 28.214 -3.755 3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 17 24.012 -4.132 2.742 1.00 0.00 H new ATOM 0 HH TYR A 17 25.110 -5.459 4.164 1.00 0.00 H new ATOM 290 N PHE A 18 28.866 0.862 0.207 1.00 0.00 N ATOM 291 CA PHE A 18 30.354 1.005 0.200 1.00 0.00 C ATOM 292 C PHE A 18 30.739 2.382 0.726 1.00 0.00 C ATOM 293 O PHE A 18 31.739 2.550 1.390 1.00 0.00 O ATOM 294 CB PHE A 18 30.867 0.868 -1.229 1.00 0.00 C ATOM 295 CG PHE A 18 32.340 0.532 -1.207 1.00 0.00 C ATOM 296 CD1 PHE A 18 32.800 -0.570 -0.475 1.00 0.00 C ATOM 297 CD2 PHE A 18 33.247 1.330 -1.914 1.00 0.00 C ATOM 298 CE1 PHE A 18 34.167 -0.872 -0.450 1.00 0.00 C ATOM 299 CE2 PHE A 18 34.613 1.026 -1.889 1.00 0.00 C ATOM 300 CZ PHE A 18 35.073 -0.074 -1.157 1.00 0.00 C ATOM 0 H PHE A 18 28.423 0.936 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 18 30.791 0.232 0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 18 30.313 0.088 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 18 30.703 1.797 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 18 32.101 -1.187 0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 18 32.893 2.180 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 18 34.522 -1.721 0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 18 35.313 1.641 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 18 36.127 -0.307 -1.138 1.00 0.00 H new ATOM 310 N ALA A 19 29.943 3.367 0.413 1.00 0.00 N ATOM 311 CA ALA A 19 30.214 4.777 0.858 1.00 0.00 C ATOM 312 C ALA A 19 30.596 4.828 2.340 1.00 0.00 C ATOM 313 O ALA A 19 31.530 5.495 2.739 1.00 0.00 O ATOM 314 CB ALA A 19 28.939 5.592 0.670 1.00 0.00 C ATOM 0 H ALA A 19 29.096 3.258 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 19 31.039 5.175 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 19 29.114 6.620 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 19 28.652 5.581 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 19 28.138 5.159 1.269 1.00 0.00 H new ATOM 320 N ALA A 20 29.854 4.132 3.147 1.00 0.00 N ATOM 321 CA ALA A 20 30.110 4.112 4.623 1.00 0.00 C ATOM 322 C ALA A 20 31.574 3.781 4.930 1.00 0.00 C ATOM 323 O ALA A 20 32.232 4.469 5.687 1.00 0.00 O ATOM 324 CB ALA A 20 29.230 3.038 5.256 1.00 0.00 C ATOM 0 H ALA A 20 29.063 3.562 2.847 1.00 0.00 H new ATOM 0 HA ALA A 20 29.883 5.099 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 20 29.405 3.011 6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.182 3.267 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 20 29.474 2.067 4.824 1.00 0.00 H new ATOM 330 N LEU A 21 32.064 2.713 4.373 1.00 0.00 N ATOM 331 CA LEU A 21 33.476 2.287 4.642 1.00 0.00 C ATOM 332 C LEU A 21 34.470 2.985 3.695 1.00 0.00 C ATOM 333 O LEU A 21 35.667 2.838 3.838 1.00 0.00 O ATOM 334 CB LEU A 21 33.571 0.769 4.450 1.00 0.00 C ATOM 335 CG LEU A 21 33.911 0.092 5.785 1.00 0.00 C ATOM 336 CD1 LEU A 21 33.146 -1.227 5.905 1.00 0.00 C ATOM 337 CD2 LEU A 21 35.415 -0.186 5.849 1.00 0.00 C ATOM 0 H LEU A 21 31.548 2.107 3.736 1.00 0.00 H new ATOM 0 HA LEU A 21 33.736 2.568 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.626 0.383 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 21 34.335 0.535 3.709 1.00 0.00 H new ATOM 0 HG LEU A 21 33.626 0.751 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.390 -1.704 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 21 32.075 -1.031 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.427 -1.887 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 21 35.656 -0.667 6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 21 35.699 -0.843 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 21 35.962 0.753 5.769 1.00 0.00 H new ATOM 349 N SER A 22 33.992 3.733 2.735 1.00 0.00 N ATOM 350 CA SER A 22 34.911 4.430 1.775 1.00 0.00 C ATOM 351 C SER A 22 36.029 5.210 2.506 1.00 0.00 C ATOM 352 O SER A 22 37.178 5.101 2.127 1.00 0.00 O ATOM 353 CB SER A 22 34.100 5.390 0.900 1.00 0.00 C ATOM 354 OG SER A 22 34.984 6.271 0.219 1.00 0.00 O ATOM 0 H SER A 22 32.998 3.894 2.571 1.00 0.00 H new ATOM 0 HA SER A 22 35.389 3.669 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 22 33.504 4.828 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 22 33.404 5.960 1.515 1.00 0.00 H new ATOM 0 HG SER A 22 34.466 6.885 -0.342 1.00 0.00 H new ATOM 360 N PRO A 23 35.686 5.979 3.521 1.00 0.00 N ATOM 361 CA PRO A 23 36.656 6.808 4.325 1.00 0.00 C ATOM 362 C PRO A 23 37.474 5.920 5.253 1.00 0.00 C ATOM 363 O PRO A 23 38.689 5.925 5.232 1.00 0.00 O ATOM 364 CB PRO A 23 35.813 7.768 5.143 1.00 0.00 C ATOM 365 CG PRO A 23 34.449 7.143 5.270 1.00 0.00 C ATOM 366 CD PRO A 23 34.299 6.188 4.092 1.00 0.00 C ATOM 0 HA PRO A 23 37.354 7.336 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 23 36.256 7.933 6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 23 35.750 8.740 4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 23 34.353 6.610 6.216 1.00 0.00 H new ATOM 0 HG3 PRO A 23 33.670 7.905 5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 23 33.867 5.241 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 23 33.629 6.604 3.339 1.00 0.00 H new ATOM 374 N ALA A 24 36.802 5.175 6.079 1.00 0.00 N ATOM 375 CA ALA A 24 37.495 4.269 7.054 1.00 0.00 C ATOM 376 C ALA A 24 38.594 3.444 6.364 1.00 0.00 C ATOM 377 O ALA A 24 39.566 3.057 6.986 1.00 0.00 O ATOM 378 CB ALA A 24 36.469 3.315 7.667 1.00 0.00 C ATOM 0 H ALA A 24 35.783 5.149 6.127 1.00 0.00 H new ATOM 0 HA ALA A 24 37.957 4.885 7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 36.966 2.653 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 24 35.701 3.890 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.008 2.720 6.878 1.00 0.00 H new ATOM 384 N ILE A 25 38.446 3.171 5.092 1.00 0.00 N ATOM 385 CA ILE A 25 39.481 2.368 4.371 1.00 0.00 C ATOM 386 C ILE A 25 40.714 3.243 4.102 1.00 0.00 C ATOM 387 O ILE A 25 41.836 2.807 4.279 1.00 0.00 O ATOM 388 CB ILE A 25 38.894 1.835 3.052 1.00 0.00 C ATOM 389 CG1 ILE A 25 37.757 0.859 3.368 1.00 0.00 C ATOM 390 CG2 ILE A 25 39.972 1.088 2.253 1.00 0.00 C ATOM 391 CD1 ILE A 25 36.857 0.698 2.139 1.00 0.00 C ATOM 0 H ILE A 25 37.654 3.469 4.522 1.00 0.00 H new ATOM 0 HA ILE A 25 39.783 1.519 4.985 1.00 0.00 H new ATOM 0 HB ILE A 25 38.525 2.676 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.166 -0.108 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 25 37.174 1.227 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 25 39.543 0.716 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.794 1.767 2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.345 0.249 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 25 36.049 0.003 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 25 36.436 1.666 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 25 37.444 0.310 1.306 1.00 0.00 H new ATOM 403 N THR A 26 40.520 4.471 3.680 1.00 0.00 N ATOM 404 CA THR A 26 41.686 5.372 3.406 1.00 0.00 C ATOM 405 C THR A 26 42.561 5.479 4.659 1.00 0.00 C ATOM 406 O THR A 26 43.774 5.548 4.578 1.00 0.00 O ATOM 407 CB THR A 26 41.179 6.764 3.021 1.00 0.00 C ATOM 408 OG1 THR A 26 40.247 6.649 1.955 1.00 0.00 O ATOM 409 CG2 THR A 26 42.357 7.634 2.582 1.00 0.00 C ATOM 0 H THR A 26 39.604 4.888 3.513 1.00 0.00 H new ATOM 0 HA THR A 26 42.274 4.959 2.587 1.00 0.00 H new ATOM 0 HB THR A 26 40.692 7.225 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 26 39.920 7.539 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 26 41.995 8.625 2.308 1.00 0.00 H new ATOM 0 HG22 THR A 26 43.070 7.722 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 26 42.847 7.176 1.723 1.00 0.00 H new