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= 0.00378 USER MOD Single : A 11 THR OG1 : rot -89:sc= -0.0577 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 74:sc= 0.0231 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 14.115 -6.869 3.838 1.00 0.00 N ATOM 109 CA LEU A 7 14.558 -5.706 3.006 1.00 0.00 C ATOM 110 C LEU A 7 15.427 -4.745 3.837 1.00 0.00 C ATOM 111 O LEU A 7 16.011 -3.820 3.305 1.00 0.00 O ATOM 112 CB LEU A 7 13.322 -4.953 2.498 1.00 0.00 C ATOM 113 CG LEU A 7 13.001 -5.383 1.064 1.00 0.00 C ATOM 114 CD1 LEU A 7 11.543 -5.042 0.745 1.00 0.00 C ATOM 115 CD2 LEU A 7 13.923 -4.640 0.093 1.00 0.00 C ATOM 0 HA LEU A 7 15.147 -6.077 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.470 -5.156 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.501 -3.878 2.533 1.00 0.00 H new ATOM 0 HG LEU A 7 13.154 -6.457 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.313 -5.347 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.886 -5.568 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.390 -3.967 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.696 -4.944 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.768 -3.566 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.961 -4.880 0.321 1.00 0.00 H new ATOM 127 N SER A 8 15.513 -4.949 5.130 1.00 0.00 N ATOM 128 CA SER A 8 16.335 -4.048 5.985 1.00 0.00 C ATOM 129 C SER A 8 17.802 -4.468 5.906 1.00 0.00 C ATOM 130 O SER A 8 18.696 -3.656 6.042 1.00 0.00 O ATOM 131 CB SER A 8 15.858 -4.146 7.434 1.00 0.00 C ATOM 132 OG SER A 8 15.860 -5.509 7.837 1.00 0.00 O ATOM 0 H SER A 8 15.045 -5.706 5.628 1.00 0.00 H new ATOM 0 HA SER A 8 16.230 -3.021 5.635 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.509 -3.562 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.856 -3.728 7.528 1.00 0.00 H new ATOM 0 HG SER A 8 15.556 -5.576 8.766 1.00 0.00 H new ATOM 138 N ASP A 9 18.051 -5.735 5.695 1.00 0.00 N ATOM 139 CA ASP A 9 19.457 -6.224 5.613 1.00 0.00 C ATOM 140 C ASP A 9 20.124 -5.671 4.353 1.00 0.00 C ATOM 141 O ASP A 9 21.280 -5.300 4.371 1.00 0.00 O ATOM 142 CB ASP A 9 19.457 -7.753 5.563 1.00 0.00 C ATOM 143 CG ASP A 9 18.805 -8.303 6.832 1.00 0.00 C ATOM 144 OD1 ASP A 9 19.059 -7.753 7.891 1.00 0.00 O ATOM 145 OD2 ASP A 9 18.061 -9.264 6.723 1.00 0.00 O ATOM 0 H ASP A 9 17.337 -6.454 5.576 1.00 0.00 H new ATOM 0 HA ASP A 9 20.011 -5.886 6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.915 -8.099 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 9 20.478 -8.125 5.475 1.00 0.00 H new ATOM 150 N ILE A 10 19.404 -5.614 3.262 1.00 0.00 N ATOM 151 CA ILE A 10 19.995 -5.086 1.996 1.00 0.00 C ATOM 152 C ILE A 10 20.187 -3.572 2.112 1.00 0.00 C ATOM 153 O ILE A 10 21.201 -3.038 1.708 1.00 0.00 O ATOM 154 CB ILE A 10 19.057 -5.402 0.826 1.00 0.00 C ATOM 155 CG1 ILE A 10 18.803 -6.911 0.771 1.00 0.00 C ATOM 156 CG2 ILE A 10 19.700 -4.953 -0.489 1.00 0.00 C ATOM 157 CD1 ILE A 10 17.457 -7.178 0.095 1.00 0.00 C ATOM 0 H ILE A 10 18.431 -5.911 3.193 1.00 0.00 H new ATOM 0 HA ILE A 10 20.962 -5.557 1.821 1.00 0.00 H new ATOM 0 HB ILE A 10 18.115 -4.873 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 10 19.603 -7.405 0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 10 18.805 -7.328 1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 10 19.029 -5.180 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.885 -3.879 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.644 -5.480 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 10 17.276 -8.252 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 10 16.662 -6.697 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 10 17.472 -6.776 -0.918 1.00 0.00 H new ATOM 169 N THR A 11 19.221 -2.878 2.662 1.00 0.00 N ATOM 170 CA THR A 11 19.342 -1.396 2.807 1.00 0.00 C ATOM 171 C THR A 11 20.542 -1.064 3.693 1.00 0.00 C ATOM 172 O THR A 11 21.206 -0.063 3.501 1.00 0.00 O ATOM 173 CB THR A 11 18.068 -0.841 3.447 1.00 0.00 C ATOM 174 OG1 THR A 11 17.533 -1.804 4.341 1.00 0.00 O ATOM 175 CG2 THR A 11 17.042 -0.526 2.357 1.00 0.00 C ATOM 0 H THR A 11 18.352 -3.276 3.017 1.00 0.00 H new ATOM 0 HA THR A 11 19.482 -0.947 1.824 1.00 0.00 H new ATOM 0 HB THR A 11 18.303 0.072 3.994 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.922 -2.397 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.135 -0.131 2.814 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.455 0.214 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.804 -1.437 1.807 1.00 0.00 H new ATOM 183 N ASP A 12 20.830 -1.903 4.655 1.00 0.00 N ATOM 184 CA ASP A 12 21.993 -1.648 5.550 1.00 0.00 C ATOM 185 C ASP A 12 23.280 -1.827 4.746 1.00 0.00 C ATOM 186 O ASP A 12 24.258 -1.135 4.958 1.00 0.00 O ATOM 187 CB ASP A 12 21.967 -2.637 6.717 1.00 0.00 C ATOM 188 CG ASP A 12 21.242 -2.004 7.907 1.00 0.00 C ATOM 189 OD1 ASP A 12 20.058 -1.740 7.783 1.00 0.00 O ATOM 190 OD2 ASP A 12 21.885 -1.793 8.923 1.00 0.00 O ATOM 0 H ASP A 12 20.307 -2.755 4.858 1.00 0.00 H new ATOM 0 HA ASP A 12 21.945 -0.633 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 12 21.463 -3.556 6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 12 22.984 -2.909 7.000 1.00 0.00 H new ATOM 195 N VAL A 13 23.277 -2.745 3.814 1.00 0.00 N ATOM 196 CA VAL A 13 24.489 -2.972 2.977 1.00 0.00 C ATOM 197 C VAL A 13 24.702 -1.763 2.061 1.00 0.00 C ATOM 198 O VAL A 13 25.814 -1.457 1.679 1.00 0.00 O ATOM 199 CB VAL A 13 24.306 -4.234 2.136 1.00 0.00 C ATOM 200 CG1 VAL A 13 25.584 -4.517 1.342 1.00 0.00 C ATOM 201 CG2 VAL A 13 24.014 -5.418 3.058 1.00 0.00 C ATOM 0 H VAL A 13 22.484 -3.348 3.597 1.00 0.00 H new ATOM 0 HA VAL A 13 25.360 -3.099 3.621 1.00 0.00 H new ATOM 0 HB VAL A 13 23.475 -4.089 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.449 -5.418 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 13 25.798 -3.674 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 13 26.416 -4.661 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 13 23.883 -6.320 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.847 -5.557 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 13 23.104 -5.222 3.624 1.00 0.00 H new ATOM 211 N ILE A 14 23.643 -1.071 1.712 1.00 0.00 N ATOM 212 CA ILE A 14 23.781 0.124 0.829 1.00 0.00 C ATOM 213 C ILE A 14 24.362 1.283 1.646 1.00 0.00 C ATOM 214 O ILE A 14 25.104 2.103 1.137 1.00 0.00 O ATOM 215 CB ILE A 14 22.403 0.515 0.275 1.00 0.00 C ATOM 216 CG1 ILE A 14 21.799 -0.667 -0.503 1.00 0.00 C ATOM 217 CG2 ILE A 14 22.539 1.729 -0.655 1.00 0.00 C ATOM 218 CD1 ILE A 14 22.696 -1.048 -1.688 1.00 0.00 C ATOM 0 H ILE A 14 22.689 -1.285 2.003 1.00 0.00 H new ATOM 0 HA ILE A 14 24.446 -0.105 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 14 21.746 0.772 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 14 21.680 -1.524 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.805 -0.403 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 14 21.558 2.001 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 14 22.954 2.569 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.202 1.480 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.252 -1.886 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.792 -0.195 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 14 23.682 -1.334 -1.321 1.00 0.00 H new ATOM 230 N PHE A 15 24.027 1.353 2.910 1.00 0.00 N ATOM 231 CA PHE A 15 24.554 2.453 3.772 1.00 0.00 C ATOM 232 C PHE A 15 26.057 2.256 3.990 1.00 0.00 C ATOM 233 O PHE A 15 26.825 3.200 3.974 1.00 0.00 O ATOM 234 CB PHE A 15 23.836 2.434 5.126 1.00 0.00 C ATOM 235 CG PHE A 15 24.081 3.740 5.845 1.00 0.00 C ATOM 236 CD1 PHE A 15 23.434 4.906 5.418 1.00 0.00 C ATOM 237 CD2 PHE A 15 24.956 3.785 6.936 1.00 0.00 C ATOM 238 CE1 PHE A 15 23.663 6.117 6.083 1.00 0.00 C ATOM 239 CE2 PHE A 15 25.185 4.996 7.601 1.00 0.00 C ATOM 240 CZ PHE A 15 24.538 6.162 7.174 1.00 0.00 C ATOM 0 H PHE A 15 23.409 0.693 3.383 1.00 0.00 H new ATOM 0 HA PHE A 15 24.379 3.411 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 15 22.767 2.282 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 15 24.197 1.601 5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.759 4.871 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 15 25.455 2.886 7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.164 7.016 5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 15 25.860 5.031 8.443 1.00 0.00 H new ATOM 0 HZ PHE A 15 24.714 7.096 7.687 1.00 0.00 H new ATOM 250 N ILE A 16 26.479 1.033 4.195 1.00 0.00 N ATOM 251 CA ILE A 16 27.931 0.755 4.418 1.00 0.00 C ATOM 252 C ILE A 16 28.691 0.917 3.100 1.00 0.00 C ATOM 253 O ILE A 16 29.840 1.315 3.083 1.00 0.00 O ATOM 254 CB ILE A 16 28.097 -0.680 4.931 1.00 0.00 C ATOM 255 CG1 ILE A 16 27.266 -0.870 6.202 1.00 0.00 C ATOM 256 CG2 ILE A 16 29.571 -0.955 5.244 1.00 0.00 C ATOM 257 CD1 ILE A 16 26.875 -2.342 6.339 1.00 0.00 C ATOM 0 H ILE A 16 25.876 0.211 4.218 1.00 0.00 H new ATOM 0 HA ILE A 16 28.329 1.455 5.153 1.00 0.00 H new ATOM 0 HB ILE A 16 27.756 -1.374 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.837 -0.552 7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 16 26.372 -0.247 6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 16 29.681 -1.976 5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 16 30.165 -0.826 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 16 29.917 -0.258 6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.283 -2.479 7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.288 -2.645 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 16 27.775 -2.954 6.399 1.00 0.00 H new ATOM 269 N TYR A 17 28.057 0.610 1.997 1.00 0.00 N ATOM 270 CA TYR A 17 28.735 0.740 0.672 1.00 0.00 C ATOM 271 C TYR A 17 29.102 2.206 0.435 1.00 0.00 C ATOM 272 O TYR A 17 30.205 2.524 0.030 1.00 0.00 O ATOM 273 CB TYR A 17 27.789 0.266 -0.434 1.00 0.00 C ATOM 274 CG TYR A 17 28.598 -0.269 -1.593 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.228 0.617 -2.475 1.00 0.00 C ATOM 276 CD2 TYR A 17 28.716 -1.651 -1.787 1.00 0.00 C ATOM 277 CE1 TYR A 17 29.977 0.122 -3.550 1.00 0.00 C ATOM 278 CE2 TYR A 17 29.465 -2.146 -2.862 1.00 0.00 C ATOM 279 CZ TYR A 17 30.095 -1.260 -3.744 1.00 0.00 C ATOM 280 OH TYR A 17 30.831 -1.750 -4.804 1.00 0.00 O ATOM 0 H TYR A 17 27.095 0.274 1.957 1.00 0.00 H new ATOM 0 HA TYR A 17 29.638 0.130 0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.125 -0.509 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.159 1.091 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.136 1.683 -2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.229 -2.335 -1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 17 30.464 0.806 -4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 17 29.557 -3.212 -3.011 1.00 0.00 H new ATOM 0 HH TYR A 17 30.811 -2.730 -4.791 1.00 0.00 H new ATOM 290 N PHE A 18 28.182 3.096 0.692 1.00 0.00 N ATOM 291 CA PHE A 18 28.454 4.550 0.496 1.00 0.00 C ATOM 292 C PHE A 18 29.526 5.003 1.481 1.00 0.00 C ATOM 293 O PHE A 18 30.353 5.838 1.178 1.00 0.00 O ATOM 294 CB PHE A 18 27.176 5.333 0.766 1.00 0.00 C ATOM 295 CG PHE A 18 27.241 6.667 0.061 1.00 0.00 C ATOM 296 CD1 PHE A 18 27.934 7.730 0.650 1.00 0.00 C ATOM 297 CD2 PHE A 18 26.608 6.842 -1.176 1.00 0.00 C ATOM 298 CE1 PHE A 18 27.996 8.970 0.004 1.00 0.00 C ATOM 299 CE2 PHE A 18 26.670 8.084 -1.823 1.00 0.00 C ATOM 300 CZ PHE A 18 27.364 9.147 -1.233 1.00 0.00 C ATOM 0 H PHE A 18 27.246 2.877 1.032 1.00 0.00 H new ATOM 0 HA PHE A 18 28.794 4.724 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.311 4.768 0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 18 27.049 5.483 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.422 7.594 1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 18 26.073 6.021 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 18 28.531 9.790 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 18 26.182 8.221 -2.777 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.412 10.104 -1.732 1.00 0.00 H new ATOM 310 N ALA A 19 29.500 4.457 2.665 1.00 0.00 N ATOM 311 CA ALA A 19 30.500 4.834 3.713 1.00 0.00 C ATOM 312 C ALA A 19 31.925 4.632 3.185 1.00 0.00 C ATOM 313 O ALA A 19 32.742 5.532 3.200 1.00 0.00 O ATOM 314 CB ALA A 19 30.289 3.938 4.935 1.00 0.00 C ATOM 0 H ALA A 19 28.820 3.755 2.958 1.00 0.00 H new ATOM 0 HA ALA A 19 30.366 5.883 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 19 31.011 4.201 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 19 29.279 4.079 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 19 30.427 2.895 4.650 1.00 0.00 H new ATOM 320 N ALA A 20 32.217 3.447 2.728 1.00 0.00 N ATOM 321 CA ALA A 20 33.580 3.140 2.196 1.00 0.00 C ATOM 322 C ALA A 20 33.900 4.040 1.005 1.00 0.00 C ATOM 323 O ALA A 20 34.985 4.576 0.885 1.00 0.00 O ATOM 324 CB ALA A 20 33.602 1.693 1.721 1.00 0.00 C ATOM 0 H ALA A 20 31.562 2.665 2.699 1.00 0.00 H new ATOM 0 HA ALA A 20 34.315 3.306 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.591 1.454 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 20 33.373 1.032 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.858 1.556 0.936 1.00 0.00 H new ATOM 330 N LEU A 21 32.967 4.168 0.112 1.00 0.00 N ATOM 331 CA LEU A 21 33.183 5.000 -1.113 1.00 0.00 C ATOM 332 C LEU A 21 33.186 6.505 -0.778 1.00 0.00 C ATOM 333 O LEU A 21 33.520 7.322 -1.614 1.00 0.00 O ATOM 334 CB LEU A 21 32.052 4.703 -2.112 1.00 0.00 C ATOM 335 CG LEU A 21 32.617 4.130 -3.422 1.00 0.00 C ATOM 336 CD1 LEU A 21 33.557 5.146 -4.079 1.00 0.00 C ATOM 337 CD2 LEU A 21 33.383 2.831 -3.137 1.00 0.00 C ATOM 0 H LEU A 21 32.049 3.728 0.173 1.00 0.00 H new ATOM 0 HA LEU A 21 34.154 4.749 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.350 3.994 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 21 31.495 5.617 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 21 31.789 3.919 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.952 4.730 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 21 33.008 6.062 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.381 5.370 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.780 2.431 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 21 34.205 3.036 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.709 2.102 -2.688 1.00 0.00 H new ATOM 349 N SER A 22 32.805 6.882 0.417 1.00 0.00 N ATOM 350 CA SER A 22 32.775 8.337 0.775 1.00 0.00 C ATOM 351 C SER A 22 34.200 8.923 0.767 1.00 0.00 C ATOM 352 O SER A 22 34.472 9.847 0.026 1.00 0.00 O ATOM 353 CB SER A 22 32.148 8.507 2.162 1.00 0.00 C ATOM 354 OG SER A 22 30.927 9.225 2.034 1.00 0.00 O ATOM 0 H SER A 22 32.513 6.247 1.160 1.00 0.00 H new ATOM 0 HA SER A 22 32.178 8.872 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 22 31.966 7.532 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 22 32.832 9.042 2.821 1.00 0.00 H new ATOM 0 HG SER A 22 30.241 8.638 1.652 1.00 0.00 H new ATOM 360 N PRO A 23 35.072 8.379 1.590 1.00 0.00 N ATOM 361 CA PRO A 23 36.512 8.810 1.736 1.00 0.00 C ATOM 362 C PRO A 23 37.318 8.418 0.505 1.00 0.00 C ATOM 363 O PRO A 23 37.935 9.243 -0.136 1.00 0.00 O ATOM 364 CB PRO A 23 37.049 8.085 2.957 1.00 0.00 C ATOM 365 CG PRO A 23 36.177 6.873 3.151 1.00 0.00 C ATOM 366 CD PRO A 23 34.826 7.225 2.539 1.00 0.00 C ATOM 0 HA PRO A 23 36.587 9.892 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 23 38.089 7.795 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 23 37.019 8.729 3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 23 36.610 5.999 2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 23 36.075 6.631 4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 23 34.405 6.370 2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 23 34.111 7.504 3.312 1.00 0.00 H new ATOM 374 N ALA A 24 37.321 7.154 0.189 1.00 0.00 N ATOM 375 CA ALA A 24 38.093 6.644 -0.997 1.00 0.00 C ATOM 376 C ALA A 24 37.865 7.530 -2.233 1.00 0.00 C ATOM 377 O ALA A 24 38.716 7.632 -3.097 1.00 0.00 O ATOM 378 CB ALA A 24 37.640 5.219 -1.319 1.00 0.00 C ATOM 0 H ALA A 24 36.815 6.435 0.706 1.00 0.00 H new ATOM 0 HA ALA A 24 39.154 6.662 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 24 38.197 4.845 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.825 4.575 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.575 5.219 -1.550 1.00 0.00 H new ATOM 384 N ILE A 25 36.727 8.173 -2.317 1.00 0.00 N ATOM 385 CA ILE A 25 36.440 9.060 -3.486 1.00 0.00 C ATOM 386 C ILE A 25 37.487 10.190 -3.520 1.00 0.00 C ATOM 387 O ILE A 25 38.149 10.403 -4.519 1.00 0.00 O ATOM 388 CB ILE A 25 34.987 9.608 -3.351 1.00 0.00 C ATOM 389 CG1 ILE A 25 34.027 8.685 -4.122 1.00 0.00 C ATOM 390 CG2 ILE A 25 34.841 11.045 -3.895 1.00 0.00 C ATOM 391 CD1 ILE A 25 34.380 8.673 -5.618 1.00 0.00 C ATOM 0 H ILE A 25 35.981 8.121 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 25 36.507 8.514 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 25 34.745 9.631 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 25 34.084 7.673 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 25 33.000 9.024 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.809 11.376 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 25 35.502 11.712 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 25 35.108 11.063 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 25 33.692 8.015 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.299 9.683 -6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 25 35.400 8.312 -5.748 1.00 0.00 H new ATOM 403 N THR A 26 37.629 10.910 -2.439 1.00 0.00 N ATOM 404 CA THR A 26 38.617 12.027 -2.400 1.00 0.00 C ATOM 405 C THR A 26 40.011 11.479 -2.080 1.00 0.00 C ATOM 406 O THR A 26 40.919 11.563 -2.886 1.00 0.00 O ATOM 407 CB THR A 26 38.200 13.026 -1.318 1.00 0.00 C ATOM 408 OG1 THR A 26 36.812 13.301 -1.442 1.00 0.00 O ATOM 409 CG2 THR A 26 38.995 14.323 -1.477 1.00 0.00 C ATOM 0 H THR A 26 37.101 10.772 -1.578 1.00 0.00 H new ATOM 0 HA THR A 26 38.644 12.522 -3.371 1.00 0.00 H new ATOM 0 HB THR A 26 38.402 12.600 -0.335 1.00 0.00 H new ATOM 0 HG1 THR A 26 36.542 13.939 -0.749 1.00 0.00 H new ATOM 0 HG21 THR A 26 38.695 15.031 -0.705 1.00 0.00 H new ATOM 0 HG22 THR A 26 40.060 14.111 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 26 38.798 14.753 -2.459 1.00 0.00 H new