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 180:sc= -0.15 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 102:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 10.513 1.394 0.074 1.00 0.00 N ATOM 109 CA LEU A 7 11.337 0.826 1.180 1.00 0.00 C ATOM 110 C LEU A 7 12.669 0.308 0.627 1.00 0.00 C ATOM 111 O LEU A 7 13.668 0.274 1.323 1.00 0.00 O ATOM 112 CB LEU A 7 10.576 -0.325 1.838 1.00 0.00 C ATOM 113 CG LEU A 7 11.229 -0.668 3.178 1.00 0.00 C ATOM 114 CD1 LEU A 7 10.632 0.212 4.278 1.00 0.00 C ATOM 115 CD2 LEU A 7 10.969 -2.140 3.507 1.00 0.00 C ATOM 0 HA LEU A 7 11.535 1.605 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.533 -0.046 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.580 -1.198 1.185 1.00 0.00 H new ATOM 0 HG LEU A 7 12.303 -0.491 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.098 -0.033 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.814 1.261 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.558 0.036 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.433 -2.387 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.895 -2.315 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.393 -2.768 2.724 1.00 0.00 H new ATOM 127 N SER A 8 12.685 -0.102 -0.615 1.00 0.00 N ATOM 128 CA SER A 8 13.943 -0.627 -1.223 1.00 0.00 C ATOM 129 C SER A 8 15.010 0.473 -1.274 1.00 0.00 C ATOM 130 O SER A 8 16.183 0.191 -1.431 1.00 0.00 O ATOM 131 CB SER A 8 13.652 -1.119 -2.641 1.00 0.00 C ATOM 132 OG SER A 8 13.217 -2.471 -2.588 1.00 0.00 O ATOM 0 H SER A 8 11.876 -0.095 -1.237 1.00 0.00 H new ATOM 0 HA SER A 8 14.315 -1.450 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.887 -0.496 -3.105 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.547 -1.037 -3.258 1.00 0.00 H new ATOM 0 HG SER A 8 13.028 -2.790 -3.495 1.00 0.00 H new ATOM 138 N ASP A 9 14.621 1.719 -1.146 1.00 0.00 N ATOM 139 CA ASP A 9 15.621 2.826 -1.191 1.00 0.00 C ATOM 140 C ASP A 9 16.484 2.785 0.073 1.00 0.00 C ATOM 141 O ASP A 9 17.671 3.045 0.030 1.00 0.00 O ATOM 142 CB ASP A 9 14.890 4.171 -1.271 1.00 0.00 C ATOM 143 CG ASP A 9 15.656 5.118 -2.198 1.00 0.00 C ATOM 144 OD1 ASP A 9 16.794 5.427 -1.888 1.00 0.00 O ATOM 145 OD2 ASP A 9 15.089 5.518 -3.202 1.00 0.00 O ATOM 0 H ASP A 9 13.654 2.015 -1.012 1.00 0.00 H new ATOM 0 HA ASP A 9 16.257 2.707 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.876 4.024 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.805 4.609 -0.277 1.00 0.00 H new ATOM 150 N ILE A 10 15.895 2.463 1.198 1.00 0.00 N ATOM 151 CA ILE A 10 16.676 2.407 2.471 1.00 0.00 C ATOM 152 C ILE A 10 17.584 1.174 2.468 1.00 0.00 C ATOM 153 O ILE A 10 18.781 1.277 2.659 1.00 0.00 O ATOM 154 CB ILE A 10 15.713 2.320 3.658 1.00 0.00 C ATOM 155 CG1 ILE A 10 14.683 3.464 3.582 1.00 0.00 C ATOM 156 CG2 ILE A 10 16.508 2.426 4.964 1.00 0.00 C ATOM 157 CD1 ILE A 10 13.279 2.883 3.383 1.00 0.00 C ATOM 0 H ILE A 10 14.905 2.236 1.289 1.00 0.00 H new ATOM 0 HA ILE A 10 17.285 3.307 2.557 1.00 0.00 H new ATOM 0 HB ILE A 10 15.186 1.366 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.715 4.057 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.930 4.134 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.825 2.364 5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.229 1.610 5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 10 17.036 3.379 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.554 3.695 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.251 2.309 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.033 2.231 4.221 1.00 0.00 H new ATOM 169 N THR A 11 17.021 0.009 2.258 1.00 0.00 N ATOM 170 CA THR A 11 17.846 -1.239 2.249 1.00 0.00 C ATOM 171 C THR A 11 18.937 -1.136 1.177 1.00 0.00 C ATOM 172 O THR A 11 19.990 -1.731 1.298 1.00 0.00 O ATOM 173 CB THR A 11 16.955 -2.446 1.945 1.00 0.00 C ATOM 174 OG1 THR A 11 15.843 -2.034 1.162 1.00 0.00 O ATOM 175 CG2 THR A 11 16.462 -3.064 3.255 1.00 0.00 C ATOM 0 H THR A 11 16.024 -0.131 2.092 1.00 0.00 H new ATOM 0 HA THR A 11 18.309 -1.363 3.228 1.00 0.00 H new ATOM 0 HB THR A 11 17.530 -3.188 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.275 -2.809 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.828 -3.923 3.036 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.317 -3.386 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.890 -2.324 3.814 1.00 0.00 H new ATOM 183 N ASP A 12 18.689 -0.386 0.134 1.00 0.00 N ATOM 184 CA ASP A 12 19.707 -0.236 -0.946 1.00 0.00 C ATOM 185 C ASP A 12 20.827 0.683 -0.456 1.00 0.00 C ATOM 186 O ASP A 12 21.981 0.510 -0.800 1.00 0.00 O ATOM 187 CB ASP A 12 19.047 0.372 -2.186 1.00 0.00 C ATOM 188 CG ASP A 12 18.444 -0.743 -3.043 1.00 0.00 C ATOM 189 OD1 ASP A 12 17.731 -1.566 -2.492 1.00 0.00 O ATOM 190 OD2 ASP A 12 18.706 -0.756 -4.234 1.00 0.00 O ATOM 0 H ASP A 12 17.822 0.130 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 12 20.121 -1.211 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.270 1.077 -1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.782 0.932 -2.764 1.00 0.00 H new ATOM 195 N VAL A 13 20.489 1.657 0.348 1.00 0.00 N ATOM 196 CA VAL A 13 21.520 2.597 0.876 1.00 0.00 C ATOM 197 C VAL A 13 22.404 1.868 1.898 1.00 0.00 C ATOM 198 O VAL A 13 23.550 2.222 2.096 1.00 0.00 O ATOM 199 CB VAL A 13 20.820 3.789 1.539 1.00 0.00 C ATOM 200 CG1 VAL A 13 21.858 4.772 2.092 1.00 0.00 C ATOM 201 CG2 VAL A 13 19.947 4.507 0.504 1.00 0.00 C ATOM 0 H VAL A 13 19.537 1.842 0.663 1.00 0.00 H new ATOM 0 HA VAL A 13 22.147 2.956 0.060 1.00 0.00 H new ATOM 0 HB VAL A 13 20.201 3.424 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 13 21.348 5.614 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 13 22.479 4.267 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.485 5.135 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 13 19.449 5.355 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.572 4.862 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.199 3.815 0.117 1.00 0.00 H new ATOM 211 N ILE A 14 21.878 0.857 2.544 1.00 0.00 N ATOM 212 CA ILE A 14 22.682 0.104 3.552 1.00 0.00 C ATOM 213 C ILE A 14 23.558 -0.933 2.839 1.00 0.00 C ATOM 214 O ILE A 14 24.671 -1.211 3.248 1.00 0.00 O ATOM 215 CB ILE A 14 21.732 -0.607 4.527 1.00 0.00 C ATOM 216 CG1 ILE A 14 20.807 0.422 5.202 1.00 0.00 C ATOM 217 CG2 ILE A 14 22.543 -1.347 5.596 1.00 0.00 C ATOM 218 CD1 ILE A 14 21.629 1.459 5.980 1.00 0.00 C ATOM 0 H ILE A 14 20.924 0.521 2.415 1.00 0.00 H new ATOM 0 HA ILE A 14 23.320 0.796 4.102 1.00 0.00 H new ATOM 0 HB ILE A 14 21.127 -1.324 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 14 20.200 0.923 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.120 -0.087 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 14 21.864 -1.849 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.187 -2.085 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.156 -0.633 6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 14 20.957 2.177 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.217 0.956 6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.298 1.981 5.296 1.00 0.00 H new ATOM 230 N PHE A 15 23.054 -1.509 1.781 1.00 0.00 N ATOM 231 CA PHE A 15 23.829 -2.539 1.031 1.00 0.00 C ATOM 232 C PHE A 15 25.059 -1.897 0.387 1.00 0.00 C ATOM 233 O PHE A 15 26.142 -2.453 0.408 1.00 0.00 O ATOM 234 CB PHE A 15 22.938 -3.138 -0.058 1.00 0.00 C ATOM 235 CG PHE A 15 23.325 -4.576 -0.294 1.00 0.00 C ATOM 236 CD1 PHE A 15 22.959 -5.560 0.632 1.00 0.00 C ATOM 237 CD2 PHE A 15 24.050 -4.927 -1.438 1.00 0.00 C ATOM 238 CE1 PHE A 15 23.318 -6.895 0.414 1.00 0.00 C ATOM 239 CE2 PHE A 15 24.409 -6.262 -1.657 1.00 0.00 C ATOM 240 CZ PHE A 15 24.043 -7.246 -0.731 1.00 0.00 C ATOM 0 H PHE A 15 22.129 -1.308 1.401 1.00 0.00 H new ATOM 0 HA PHE A 15 24.154 -3.321 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.891 -3.077 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 15 23.041 -2.567 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.399 -5.289 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 15 24.333 -4.168 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.036 -7.654 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 15 24.968 -6.533 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 15 24.320 -8.276 -0.900 1.00 0.00 H new ATOM 250 N ILE A 16 24.897 -0.734 -0.189 1.00 0.00 N ATOM 251 CA ILE A 16 26.049 -0.048 -0.844 1.00 0.00 C ATOM 252 C ILE A 16 26.932 0.628 0.213 1.00 0.00 C ATOM 253 O ILE A 16 28.092 0.903 -0.028 1.00 0.00 O ATOM 254 CB ILE A 16 25.521 1.008 -1.820 1.00 0.00 C ATOM 255 CG1 ILE A 16 24.512 0.364 -2.788 1.00 0.00 C ATOM 256 CG2 ILE A 16 26.687 1.610 -2.610 1.00 0.00 C ATOM 257 CD1 ILE A 16 25.182 -0.754 -3.601 1.00 0.00 C ATOM 0 H ILE A 16 24.012 -0.228 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 16 26.644 -0.785 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 16 25.023 1.798 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.670 -0.041 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 16 24.112 1.121 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.308 2.361 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 16 27.392 2.076 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 16 27.193 0.823 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 16 24.453 -1.197 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.009 -0.339 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.560 -1.520 -2.924 1.00 0.00 H new ATOM 269 N TYR A 17 26.394 0.904 1.378 1.00 0.00 N ATOM 270 CA TYR A 17 27.204 1.568 2.443 1.00 0.00 C ATOM 271 C TYR A 17 28.375 0.665 2.848 1.00 0.00 C ATOM 272 O TYR A 17 29.505 1.106 2.934 1.00 0.00 O ATOM 273 CB TYR A 17 26.315 1.835 3.666 1.00 0.00 C ATOM 274 CG TYR A 17 26.515 3.253 4.149 1.00 0.00 C ATOM 275 CD1 TYR A 17 26.267 4.327 3.286 1.00 0.00 C ATOM 276 CD2 TYR A 17 26.945 3.493 5.458 1.00 0.00 C ATOM 277 CE1 TYR A 17 26.449 5.641 3.733 1.00 0.00 C ATOM 278 CE2 TYR A 17 27.127 4.807 5.906 1.00 0.00 C ATOM 279 CZ TYR A 17 26.878 5.882 5.043 1.00 0.00 C ATOM 280 OH TYR A 17 27.054 7.177 5.485 1.00 0.00 O ATOM 0 H TYR A 17 25.429 0.697 1.635 1.00 0.00 H new ATOM 0 HA TYR A 17 27.596 2.511 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.268 1.674 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 17 26.558 1.133 4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 17 25.935 4.142 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 17 27.137 2.664 6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 17 26.258 6.469 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 17 27.459 4.992 6.917 1.00 0.00 H new ATOM 0 HH TYR A 17 27.354 7.166 6.418 1.00 0.00 H new ATOM 290 N PHE A 18 28.108 -0.590 3.113 1.00 0.00 N ATOM 291 CA PHE A 18 29.198 -1.523 3.529 1.00 0.00 C ATOM 292 C PHE A 18 29.881 -2.127 2.298 1.00 0.00 C ATOM 293 O PHE A 18 31.035 -2.503 2.345 1.00 0.00 O ATOM 294 CB PHE A 18 28.603 -2.650 4.377 1.00 0.00 C ATOM 295 CG PHE A 18 28.708 -2.299 5.841 1.00 0.00 C ATOM 296 CD1 PHE A 18 27.860 -1.330 6.391 1.00 0.00 C ATOM 297 CD2 PHE A 18 29.649 -2.947 6.651 1.00 0.00 C ATOM 298 CE1 PHE A 18 27.954 -1.008 7.750 1.00 0.00 C ATOM 299 CE2 PHE A 18 29.742 -2.625 8.010 1.00 0.00 C ATOM 300 CZ PHE A 18 28.895 -1.655 8.559 1.00 0.00 C ATOM 0 H PHE A 18 27.179 -1.009 3.059 1.00 0.00 H new ATOM 0 HA PHE A 18 29.936 -0.968 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.559 -2.809 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.130 -3.583 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.133 -0.831 5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 18 30.303 -3.695 6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 18 27.300 -0.260 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.467 -3.125 8.635 1.00 0.00 H new ATOM 0 HZ PHE A 18 28.968 -1.406 9.607 1.00 0.00 H new ATOM 310 N ALA A 19 29.170 -2.239 1.206 1.00 0.00 N ATOM 311 CA ALA A 19 29.760 -2.837 -0.032 1.00 0.00 C ATOM 312 C ALA A 19 30.957 -2.013 -0.512 1.00 0.00 C ATOM 313 O ALA A 19 32.022 -2.536 -0.762 1.00 0.00 O ATOM 314 CB ALA A 19 28.701 -2.843 -1.132 1.00 0.00 C ATOM 0 H ALA A 19 28.199 -1.940 1.117 1.00 0.00 H new ATOM 0 HA ALA A 19 30.092 -3.851 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 19 29.121 -3.277 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 19 27.845 -3.435 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 19 28.380 -1.821 -1.334 1.00 0.00 H new ATOM 320 N ALA A 20 30.772 -0.733 -0.669 1.00 0.00 N ATOM 321 CA ALA A 20 31.873 0.157 -1.163 1.00 0.00 C ATOM 322 C ALA A 20 33.154 -0.030 -0.345 1.00 0.00 C ATOM 323 O ALA A 20 34.230 -0.208 -0.884 1.00 0.00 O ATOM 324 CB ALA A 20 31.423 1.610 -1.034 1.00 0.00 C ATOM 0 H ALA A 20 29.893 -0.253 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 20 32.084 -0.101 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.215 2.269 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.524 1.767 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.208 1.833 0.011 1.00 0.00 H new ATOM 330 N LEU A 21 33.041 0.054 0.946 1.00 0.00 N ATOM 331 CA LEU A 21 34.243 -0.073 1.833 1.00 0.00 C ATOM 332 C LEU A 21 34.610 -1.548 2.094 1.00 0.00 C ATOM 333 O LEU A 21 35.644 -1.837 2.666 1.00 0.00 O ATOM 334 CB LEU A 21 33.928 0.615 3.166 1.00 0.00 C ATOM 335 CG LEU A 21 34.614 1.982 3.219 1.00 0.00 C ATOM 336 CD1 LEU A 21 33.946 2.919 2.212 1.00 0.00 C ATOM 337 CD2 LEU A 21 34.483 2.566 4.630 1.00 0.00 C ATOM 0 H LEU A 21 32.161 0.207 1.438 1.00 0.00 H new ATOM 0 HA LEU A 21 35.094 0.395 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.850 0.734 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 21 34.268 -0.005 3.995 1.00 0.00 H new ATOM 0 HG LEU A 21 35.670 1.873 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.431 3.895 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.039 2.502 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 21 32.891 3.030 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.972 3.540 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.428 2.679 4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.956 1.895 5.347 1.00 0.00 H new ATOM 349 N SER A 22 33.777 -2.475 1.701 1.00 0.00 N ATOM 350 CA SER A 22 34.080 -3.922 1.951 1.00 0.00 C ATOM 351 C SER A 22 35.425 -4.330 1.315 1.00 0.00 C ATOM 352 O SER A 22 36.268 -4.884 1.993 1.00 0.00 O ATOM 353 CB SER A 22 32.950 -4.780 1.373 1.00 0.00 C ATOM 354 OG SER A 22 32.315 -5.490 2.429 1.00 0.00 O ATOM 0 H SER A 22 32.897 -2.296 1.217 1.00 0.00 H new ATOM 0 HA SER A 22 34.156 -4.080 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 22 32.227 -4.150 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 22 33.348 -5.478 0.637 1.00 0.00 H new ATOM 0 HG SER A 22 31.590 -6.039 2.064 1.00 0.00 H new ATOM 360 N PRO A 23 35.593 -4.069 0.037 1.00 0.00 N ATOM 361 CA PRO A 23 36.829 -4.409 -0.757 1.00 0.00 C ATOM 362 C PRO A 23 37.979 -3.477 -0.397 1.00 0.00 C ATOM 363 O PRO A 23 39.020 -3.904 0.060 1.00 0.00 O ATOM 364 CB PRO A 23 36.454 -4.234 -2.219 1.00 0.00 C ATOM 365 CG PRO A 23 35.283 -3.286 -2.253 1.00 0.00 C ATOM 366 CD PRO A 23 34.612 -3.382 -0.887 1.00 0.00 C ATOM 0 HA PRO A 23 37.161 -5.425 -0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 23 37.293 -3.834 -2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 23 36.191 -5.191 -2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 23 35.614 -2.267 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 23 34.587 -3.556 -3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 23 34.357 -2.391 -0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 23 33.682 -3.947 -0.952 1.00 0.00 H new ATOM 374 N ALA A 24 37.797 -2.208 -0.620 1.00 0.00 N ATOM 375 CA ALA A 24 38.871 -1.201 -0.320 1.00 0.00 C ATOM 376 C ALA A 24 39.475 -1.426 1.078 1.00 0.00 C ATOM 377 O ALA A 24 40.616 -1.088 1.326 1.00 0.00 O ATOM 378 CB ALA A 24 38.268 0.204 -0.382 1.00 0.00 C ATOM 0 H ALA A 24 36.939 -1.812 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 24 39.664 -1.314 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 24 39.041 0.942 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.865 0.383 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 37.468 0.290 0.354 1.00 0.00 H new ATOM 384 N ILE A 25 38.715 -1.983 1.987 1.00 0.00 N ATOM 385 CA ILE A 25 39.240 -2.218 3.367 1.00 0.00 C ATOM 386 C ILE A 25 39.894 -3.607 3.469 1.00 0.00 C ATOM 387 O ILE A 25 40.947 -3.757 4.060 1.00 0.00 O ATOM 388 CB ILE A 25 38.083 -2.105 4.373 1.00 0.00 C ATOM 389 CG1 ILE A 25 37.528 -0.678 4.334 1.00 0.00 C ATOM 390 CG2 ILE A 25 38.584 -2.407 5.794 1.00 0.00 C ATOM 391 CD1 ILE A 25 36.313 -0.574 5.258 1.00 0.00 C ATOM 0 H ILE A 25 37.753 -2.285 1.833 1.00 0.00 H new ATOM 0 HA ILE A 25 39.998 -1.468 3.593 1.00 0.00 H new ATOM 0 HB ILE A 25 37.306 -2.822 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.296 0.030 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 25 37.246 -0.415 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 25 37.755 -2.324 6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 25 38.990 -3.418 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 25 39.363 -1.694 6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.920 0.442 5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.543 -1.271 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.609 -0.819 6.278 1.00 0.00 H new ATOM 403 N THR A 26 39.272 -4.620 2.922 1.00 0.00 N ATOM 404 CA THR A 26 39.847 -5.996 3.014 1.00 0.00 C ATOM 405 C THR A 26 41.201 -6.051 2.302 1.00 0.00 C ATOM 406 O THR A 26 42.218 -6.331 2.910 1.00 0.00 O ATOM 407 CB THR A 26 38.881 -6.993 2.370 1.00 0.00 C ATOM 408 OG1 THR A 26 37.588 -6.824 2.937 1.00 0.00 O ATOM 409 CG2 THR A 26 39.369 -8.420 2.628 1.00 0.00 C ATOM 0 H THR A 26 38.389 -4.554 2.415 1.00 0.00 H new ATOM 0 HA THR A 26 39.993 -6.254 4.063 1.00 0.00 H new ATOM 0 HB THR A 26 38.837 -6.816 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 26 37.023 -6.316 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 26 38.680 -9.129 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 26 40.362 -8.548 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 26 39.413 -8.601 3.702 1.00 0.00 H new