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 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 14.060 4.044 -4.529 1.00 0.00 N ATOM 109 CA LEU A 7 14.654 4.424 -3.211 1.00 0.00 C ATOM 110 C LEU A 7 15.160 3.173 -2.485 1.00 0.00 C ATOM 111 O LEU A 7 16.228 3.177 -1.903 1.00 0.00 O ATOM 112 CB LEU A 7 13.586 5.117 -2.359 1.00 0.00 C ATOM 113 CG LEU A 7 14.237 5.757 -1.121 1.00 0.00 C ATOM 114 CD1 LEU A 7 13.700 7.178 -0.932 1.00 0.00 C ATOM 115 CD2 LEU A 7 13.908 4.924 0.122 1.00 0.00 C ATOM 0 HA LEU A 7 15.492 5.102 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.077 5.880 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.830 4.395 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 7 15.317 5.791 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.163 7.628 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.934 7.776 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.619 7.143 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.370 5.379 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.827 4.887 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.292 3.912 -0.006 1.00 0.00 H new ATOM 127 N SER A 8 14.399 2.107 -2.511 1.00 0.00 N ATOM 128 CA SER A 8 14.828 0.853 -1.819 1.00 0.00 C ATOM 129 C SER A 8 16.156 0.356 -2.405 1.00 0.00 C ATOM 130 O SER A 8 16.927 -0.305 -1.735 1.00 0.00 O ATOM 131 CB SER A 8 13.753 -0.219 -2.007 1.00 0.00 C ATOM 132 OG SER A 8 13.642 -0.989 -0.816 1.00 0.00 O ATOM 0 H SER A 8 13.497 2.051 -2.983 1.00 0.00 H new ATOM 0 HA SER A 8 14.964 1.057 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.796 0.247 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.009 -0.864 -2.848 1.00 0.00 H new ATOM 0 HG SER A 8 12.953 -1.676 -0.933 1.00 0.00 H new ATOM 138 N ASP A 9 16.426 0.672 -3.647 1.00 0.00 N ATOM 139 CA ASP A 9 17.702 0.224 -4.279 1.00 0.00 C ATOM 140 C ASP A 9 18.874 0.930 -3.600 1.00 0.00 C ATOM 141 O ASP A 9 19.926 0.354 -3.397 1.00 0.00 O ATOM 142 CB ASP A 9 17.688 0.579 -5.768 1.00 0.00 C ATOM 143 CG ASP A 9 17.106 -0.589 -6.567 1.00 0.00 C ATOM 144 OD1 ASP A 9 17.623 -1.686 -6.438 1.00 0.00 O ATOM 145 OD2 ASP A 9 16.153 -0.365 -7.295 1.00 0.00 O ATOM 0 H ASP A 9 15.815 1.222 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 9 17.807 -0.855 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.094 1.478 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.699 0.799 -6.110 1.00 0.00 H new ATOM 150 N ILE A 10 18.692 2.175 -3.245 1.00 0.00 N ATOM 151 CA ILE A 10 19.781 2.936 -2.571 1.00 0.00 C ATOM 152 C ILE A 10 19.974 2.387 -1.158 1.00 0.00 C ATOM 153 O ILE A 10 21.083 2.179 -0.709 1.00 0.00 O ATOM 154 CB ILE A 10 19.393 4.415 -2.497 1.00 0.00 C ATOM 155 CG1 ILE A 10 19.033 4.935 -3.901 1.00 0.00 C ATOM 156 CG2 ILE A 10 20.558 5.226 -1.924 1.00 0.00 C ATOM 157 CD1 ILE A 10 20.221 4.774 -4.858 1.00 0.00 C ATOM 0 H ILE A 10 17.830 2.699 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 10 20.709 2.832 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 10 18.526 4.525 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 10 18.172 4.389 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 10 18.745 5.985 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.278 6.278 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 10 20.796 4.865 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 10 21.431 5.113 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.947 5.147 -5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.072 5.340 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 10 20.490 3.720 -4.930 1.00 0.00 H new ATOM 169 N THR A 11 18.893 2.148 -0.458 1.00 0.00 N ATOM 170 CA THR A 11 18.991 1.606 0.931 1.00 0.00 C ATOM 171 C THR A 11 19.711 0.252 0.912 1.00 0.00 C ATOM 172 O THR A 11 20.294 -0.160 1.897 1.00 0.00 O ATOM 173 CB THR A 11 17.581 1.428 1.501 1.00 0.00 C ATOM 174 OG1 THR A 11 16.822 2.604 1.254 1.00 0.00 O ATOM 175 CG2 THR A 11 17.659 1.175 3.008 1.00 0.00 C ATOM 0 H THR A 11 17.942 2.306 -0.791 1.00 0.00 H new ATOM 0 HA THR A 11 19.555 2.301 1.553 1.00 0.00 H new ATOM 0 HB THR A 11 17.101 0.575 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.918 2.492 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.653 1.049 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.240 0.272 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.140 2.023 3.495 1.00 0.00 H new ATOM 183 N ASP A 12 19.676 -0.441 -0.202 1.00 0.00 N ATOM 184 CA ASP A 12 20.359 -1.766 -0.287 1.00 0.00 C ATOM 185 C ASP A 12 21.853 -1.550 -0.538 1.00 0.00 C ATOM 186 O ASP A 12 22.682 -2.322 -0.097 1.00 0.00 O ATOM 187 CB ASP A 12 19.751 -2.581 -1.435 1.00 0.00 C ATOM 188 CG ASP A 12 19.543 -4.030 -0.985 1.00 0.00 C ATOM 189 OD1 ASP A 12 20.507 -4.639 -0.552 1.00 0.00 O ATOM 190 OD2 ASP A 12 18.423 -4.504 -1.081 1.00 0.00 O ATOM 0 H ASP A 12 19.203 -0.144 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 12 20.225 -2.309 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.800 -2.145 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.409 -2.551 -2.304 1.00 0.00 H new ATOM 195 N VAL A 13 22.196 -0.502 -1.240 1.00 0.00 N ATOM 196 CA VAL A 13 23.634 -0.219 -1.520 1.00 0.00 C ATOM 197 C VAL A 13 24.303 0.313 -0.245 1.00 0.00 C ATOM 198 O VAL A 13 25.495 0.165 -0.055 1.00 0.00 O ATOM 199 CB VAL A 13 23.736 0.813 -2.644 1.00 0.00 C ATOM 200 CG1 VAL A 13 25.207 1.098 -2.968 1.00 0.00 C ATOM 201 CG2 VAL A 13 23.041 0.265 -3.893 1.00 0.00 C ATOM 0 H VAL A 13 21.539 0.172 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 13 24.141 -1.133 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 13 23.257 1.738 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.267 1.834 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 13 25.706 1.487 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.695 0.176 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 13 23.110 0.996 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 13 23.525 -0.662 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.992 0.070 -3.670 1.00 0.00 H new ATOM 211 N ILE A 14 23.539 0.917 0.634 1.00 0.00 N ATOM 212 CA ILE A 14 24.114 1.446 1.905 1.00 0.00 C ATOM 213 C ILE A 14 24.228 0.293 2.907 1.00 0.00 C ATOM 214 O ILE A 14 25.198 0.173 3.636 1.00 0.00 O ATOM 215 CB ILE A 14 23.181 2.530 2.470 1.00 0.00 C ATOM 216 CG1 ILE A 14 23.014 3.663 1.442 1.00 0.00 C ATOM 217 CG2 ILE A 14 23.753 3.093 3.782 1.00 0.00 C ATOM 218 CD1 ILE A 14 24.368 4.318 1.141 1.00 0.00 C ATOM 0 H ILE A 14 22.536 1.066 0.522 1.00 0.00 H new ATOM 0 HA ILE A 14 25.098 1.878 1.723 1.00 0.00 H new ATOM 0 HB ILE A 14 22.207 2.085 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.582 3.267 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.319 4.410 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 14 23.083 3.859 4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.848 2.289 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 14 24.734 3.530 3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.232 5.117 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 14 24.784 4.732 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 14 25.052 3.571 0.737 1.00 0.00 H new ATOM 230 N PHE A 15 23.235 -0.555 2.937 1.00 0.00 N ATOM 231 CA PHE A 15 23.243 -1.711 3.873 1.00 0.00 C ATOM 232 C PHE A 15 24.432 -2.622 3.547 1.00 0.00 C ATOM 233 O PHE A 15 25.118 -3.111 4.428 1.00 0.00 O ATOM 234 CB PHE A 15 21.929 -2.477 3.702 1.00 0.00 C ATOM 235 CG PHE A 15 21.436 -2.956 5.046 1.00 0.00 C ATOM 236 CD1 PHE A 15 20.602 -2.136 5.815 1.00 0.00 C ATOM 237 CD2 PHE A 15 21.811 -4.217 5.522 1.00 0.00 C ATOM 238 CE1 PHE A 15 20.143 -2.577 7.062 1.00 0.00 C ATOM 239 CE2 PHE A 15 21.352 -4.659 6.768 1.00 0.00 C ATOM 240 CZ PHE A 15 20.518 -3.839 7.538 1.00 0.00 C ATOM 0 H PHE A 15 22.408 -0.493 2.343 1.00 0.00 H new ATOM 0 HA PHE A 15 23.338 -1.368 4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.181 -1.834 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.077 -3.326 3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 15 20.313 -1.163 5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 15 22.454 -4.849 4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 15 19.500 -1.944 7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 15 21.641 -5.632 7.136 1.00 0.00 H new ATOM 0 HZ PHE A 15 20.164 -4.180 8.500 1.00 0.00 H new ATOM 250 N ILE A 16 24.684 -2.841 2.282 1.00 0.00 N ATOM 251 CA ILE A 16 25.829 -3.704 1.877 1.00 0.00 C ATOM 252 C ILE A 16 27.130 -2.892 2.008 1.00 0.00 C ATOM 253 O ILE A 16 28.193 -3.443 2.204 1.00 0.00 O ATOM 254 CB ILE A 16 25.575 -4.216 0.424 1.00 0.00 C ATOM 255 CG1 ILE A 16 25.635 -5.751 0.406 1.00 0.00 C ATOM 256 CG2 ILE A 16 26.583 -3.659 -0.604 1.00 0.00 C ATOM 257 CD1 ILE A 16 27.030 -6.228 0.826 1.00 0.00 C ATOM 0 H ILE A 16 24.141 -2.456 1.509 1.00 0.00 H new ATOM 0 HA ILE A 16 25.925 -4.578 2.521 1.00 0.00 H new ATOM 0 HB ILE A 16 24.588 -3.857 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 16 24.884 -6.160 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 16 25.401 -6.120 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.350 -4.054 -1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.519 -2.571 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 16 27.593 -3.958 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.062 -7.317 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 16 27.773 -5.833 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 16 27.248 -5.873 1.833 1.00 0.00 H new ATOM 269 N TYR A 17 27.047 -1.588 1.897 1.00 0.00 N ATOM 270 CA TYR A 17 28.273 -0.739 2.012 1.00 0.00 C ATOM 271 C TYR A 17 28.969 -1.003 3.354 1.00 0.00 C ATOM 272 O TYR A 17 30.182 -0.975 3.446 1.00 0.00 O ATOM 273 CB TYR A 17 27.883 0.741 1.920 1.00 0.00 C ATOM 274 CG TYR A 17 29.135 1.589 1.909 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.796 1.871 3.110 1.00 0.00 C ATOM 276 CD2 TYR A 17 29.636 2.086 0.700 1.00 0.00 C ATOM 277 CE1 TYR A 17 30.959 2.648 3.103 1.00 0.00 C ATOM 278 CE2 TYR A 17 30.799 2.865 0.693 1.00 0.00 C ATOM 279 CZ TYR A 17 31.461 3.146 1.895 1.00 0.00 C ATOM 280 OH TYR A 17 32.608 3.912 1.890 1.00 0.00 O ATOM 0 H TYR A 17 26.181 -1.075 1.731 1.00 0.00 H new ATOM 0 HA TYR A 17 28.956 -0.987 1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.301 0.920 1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.252 1.016 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.408 1.489 4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 17 29.126 1.869 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.470 2.864 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.186 3.249 -0.239 1.00 0.00 H new ATOM 0 HH TYR A 17 32.821 4.177 0.971 1.00 0.00 H new ATOM 290 N PHE A 18 28.209 -1.251 4.392 1.00 0.00 N ATOM 291 CA PHE A 18 28.825 -1.508 5.730 1.00 0.00 C ATOM 292 C PHE A 18 29.198 -2.990 5.865 1.00 0.00 C ATOM 293 O PHE A 18 30.172 -3.333 6.503 1.00 0.00 O ATOM 294 CB PHE A 18 27.830 -1.129 6.833 1.00 0.00 C ATOM 295 CG PHE A 18 28.546 -0.375 7.930 1.00 0.00 C ATOM 296 CD1 PHE A 18 29.585 -0.989 8.641 1.00 0.00 C ATOM 297 CD2 PHE A 18 28.171 0.938 8.234 1.00 0.00 C ATOM 298 CE1 PHE A 18 30.248 -0.287 9.655 1.00 0.00 C ATOM 299 CE2 PHE A 18 28.833 1.639 9.248 1.00 0.00 C ATOM 300 CZ PHE A 18 29.872 1.027 9.959 1.00 0.00 C ATOM 0 H PHE A 18 27.190 -1.287 4.371 1.00 0.00 H new ATOM 0 HA PHE A 18 29.728 -0.904 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.030 -0.515 6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 18 27.364 -2.027 7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 18 29.874 -2.003 8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.370 1.411 7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 18 31.050 -0.759 10.203 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.542 2.652 9.482 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.383 1.568 10.742 1.00 0.00 H new ATOM 310 N ALA A 19 28.420 -3.865 5.283 1.00 0.00 N ATOM 311 CA ALA A 19 28.711 -5.332 5.385 1.00 0.00 C ATOM 312 C ALA A 19 30.112 -5.647 4.837 1.00 0.00 C ATOM 313 O ALA A 19 30.932 -6.252 5.500 1.00 0.00 O ATOM 314 CB ALA A 19 27.671 -6.098 4.566 1.00 0.00 C ATOM 0 H ALA A 19 27.591 -3.628 4.738 1.00 0.00 H new ATOM 0 HA ALA A 19 28.670 -5.630 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 19 27.872 -7.167 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.675 -5.891 4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 19 27.724 -5.782 3.524 1.00 0.00 H new ATOM 320 N ALA A 20 30.366 -5.263 3.619 1.00 0.00 N ATOM 321 CA ALA A 20 31.689 -5.540 2.972 1.00 0.00 C ATOM 322 C ALA A 20 32.849 -5.023 3.825 1.00 0.00 C ATOM 323 O ALA A 20 33.838 -5.702 4.027 1.00 0.00 O ATOM 324 CB ALA A 20 31.731 -4.821 1.630 1.00 0.00 C ATOM 0 H ALA A 20 29.704 -4.759 3.029 1.00 0.00 H new ATOM 0 HA ALA A 20 31.794 -6.619 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.688 -5.012 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.923 -5.187 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.612 -3.749 1.788 1.00 0.00 H new ATOM 330 N LEU A 21 32.748 -3.809 4.279 1.00 0.00 N ATOM 331 CA LEU A 21 33.851 -3.199 5.087 1.00 0.00 C ATOM 332 C LEU A 21 33.823 -3.685 6.546 1.00 0.00 C ATOM 333 O LEU A 21 34.751 -3.451 7.292 1.00 0.00 O ATOM 334 CB LEU A 21 33.701 -1.675 5.057 1.00 0.00 C ATOM 335 CG LEU A 21 34.707 -1.079 4.069 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.241 -1.347 2.638 1.00 0.00 C ATOM 337 CD2 LEU A 21 34.810 0.430 4.298 1.00 0.00 C ATOM 0 H LEU A 21 31.943 -3.202 4.127 1.00 0.00 H new ATOM 0 HA LEU A 21 34.803 -3.502 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.686 -1.405 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.867 -1.264 6.053 1.00 0.00 H new ATOM 0 HG LEU A 21 35.683 -1.539 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.958 -0.922 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.167 -2.422 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.265 -0.888 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 21 35.526 0.857 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.833 0.889 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 21 35.144 0.621 5.318 1.00 0.00 H new ATOM 349 N SER A 22 32.779 -4.350 6.969 1.00 0.00 N ATOM 350 CA SER A 22 32.715 -4.834 8.389 1.00 0.00 C ATOM 351 C SER A 22 33.965 -5.678 8.723 1.00 0.00 C ATOM 352 O SER A 22 34.679 -5.366 9.655 1.00 0.00 O ATOM 353 CB SER A 22 31.448 -5.673 8.584 1.00 0.00 C ATOM 354 OG SER A 22 30.685 -5.128 9.652 1.00 0.00 O ATOM 0 H SER A 22 31.967 -4.581 6.397 1.00 0.00 H new ATOM 0 HA SER A 22 32.687 -3.975 9.059 1.00 0.00 H new ATOM 0 HB2 SER A 22 30.858 -5.681 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 22 31.713 -6.708 8.802 1.00 0.00 H new ATOM 0 HG SER A 22 29.872 -5.661 9.779 1.00 0.00 H new ATOM 360 N PRO A 23 34.201 -6.718 7.950 1.00 0.00 N ATOM 361 CA PRO A 23 35.369 -7.661 8.100 1.00 0.00 C ATOM 362 C PRO A 23 36.660 -7.004 7.617 1.00 0.00 C ATOM 363 O PRO A 23 37.624 -6.894 8.344 1.00 0.00 O ATOM 364 CB PRO A 23 35.051 -8.865 7.231 1.00 0.00 C ATOM 365 CG PRO A 23 34.072 -8.396 6.185 1.00 0.00 C ATOM 366 CD PRO A 23 33.370 -7.177 6.770 1.00 0.00 C ATOM 0 HA PRO A 23 35.515 -7.938 9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 23 35.956 -9.257 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 23 34.624 -9.671 7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 23 34.586 -8.141 5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 23 33.354 -9.180 5.946 1.00 0.00 H new ATOM 0 HD2 PRO A 23 33.285 -6.385 6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 23 32.357 -7.428 7.085 1.00 0.00 H new ATOM 374 N ALA A 24 36.678 -6.591 6.382 1.00 0.00 N ATOM 375 CA ALA A 24 37.901 -5.946 5.787 1.00 0.00 C ATOM 376 C ALA A 24 38.485 -4.878 6.727 1.00 0.00 C ATOM 377 O ALA A 24 39.677 -4.630 6.729 1.00 0.00 O ATOM 378 CB ALA A 24 37.523 -5.289 4.458 1.00 0.00 C ATOM 0 H ALA A 24 35.888 -6.671 5.742 1.00 0.00 H new ATOM 0 HA ALA A 24 38.655 -6.718 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 24 38.404 -4.819 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.138 -6.046 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.757 -4.533 4.631 1.00 0.00 H new ATOM 384 N ILE A 25 37.658 -4.256 7.526 1.00 0.00 N ATOM 385 CA ILE A 25 38.161 -3.212 8.470 1.00 0.00 C ATOM 386 C ILE A 25 38.902 -3.914 9.622 1.00 0.00 C ATOM 387 O ILE A 25 39.982 -3.513 10.015 1.00 0.00 O ATOM 388 CB ILE A 25 36.959 -2.382 8.990 1.00 0.00 C ATOM 389 CG1 ILE A 25 36.532 -1.374 7.908 1.00 0.00 C ATOM 390 CG2 ILE A 25 37.318 -1.613 10.277 1.00 0.00 C ATOM 391 CD1 ILE A 25 37.673 -0.395 7.601 1.00 0.00 C ATOM 0 H ILE A 25 36.653 -4.426 7.566 1.00 0.00 H new ATOM 0 HA ILE A 25 38.853 -2.532 7.973 1.00 0.00 H new ATOM 0 HB ILE A 25 36.145 -3.071 9.217 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.248 -1.906 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 25 35.653 -0.823 8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.452 -1.042 10.613 1.00 0.00 H new ATOM 0 HG22 ILE A 25 37.611 -2.320 11.054 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.145 -0.933 10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 25 37.352 0.309 6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 25 37.938 0.151 8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 25 38.541 -0.949 7.244 1.00 0.00 H new ATOM 403 N THR A 26 38.320 -4.951 10.162 1.00 0.00 N ATOM 404 CA THR A 26 38.963 -5.689 11.291 1.00 0.00 C ATOM 405 C THR A 26 40.350 -6.208 10.878 1.00 0.00 C ATOM 406 O THR A 26 41.292 -6.141 11.644 1.00 0.00 O ATOM 407 CB THR A 26 38.069 -6.870 11.684 1.00 0.00 C ATOM 408 OG1 THR A 26 36.761 -6.392 11.969 1.00 0.00 O ATOM 409 CG2 THR A 26 38.638 -7.563 12.922 1.00 0.00 C ATOM 0 H THR A 26 37.417 -5.323 9.867 1.00 0.00 H new ATOM 0 HA THR A 26 39.086 -5.012 12.137 1.00 0.00 H new ATOM 0 HB THR A 26 38.030 -7.584 10.861 1.00 0.00 H new ATOM 0 HG1 THR A 26 36.185 -7.144 12.219 1.00 0.00 H new ATOM 0 HG21 THR A 26 37.998 -8.402 13.196 1.00 0.00 H new ATOM 0 HG22 THR A 26 39.642 -7.928 12.705 1.00 0.00 H new ATOM 0 HG23 THR A 26 38.681 -6.854 13.749 1.00 0.00 H new