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= 0.0419 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 83:sc= 0.784 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 11.968 -1.540 -1.718 1.00 0.00 N ATOM 109 CA LEU A 7 12.622 -1.166 -0.426 1.00 0.00 C ATOM 110 C LEU A 7 13.913 -1.976 -0.209 1.00 0.00 C ATOM 111 O LEU A 7 14.969 -1.420 0.029 1.00 0.00 O ATOM 112 CB LEU A 7 11.645 -1.448 0.725 1.00 0.00 C ATOM 113 CG LEU A 7 10.994 -0.141 1.187 1.00 0.00 C ATOM 114 CD1 LEU A 7 9.697 0.088 0.408 1.00 0.00 C ATOM 115 CD2 LEU A 7 10.679 -0.232 2.682 1.00 0.00 C ATOM 0 HA LEU A 7 12.881 -0.108 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.878 -2.151 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.173 -1.915 1.556 1.00 0.00 H new ATOM 0 HG LEU A 7 11.677 0.689 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.234 1.018 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.919 0.150 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.013 -0.741 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.216 0.697 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.995 -1.062 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.602 -0.396 3.239 1.00 0.00 H new ATOM 127 N SER A 8 13.827 -3.281 -0.261 1.00 0.00 N ATOM 128 CA SER A 8 15.035 -4.136 -0.029 1.00 0.00 C ATOM 129 C SER A 8 16.151 -3.815 -1.032 1.00 0.00 C ATOM 130 O SER A 8 17.300 -4.147 -0.806 1.00 0.00 O ATOM 131 CB SER A 8 14.649 -5.607 -0.175 1.00 0.00 C ATOM 132 OG SER A 8 13.890 -6.012 0.956 1.00 0.00 O ATOM 0 H SER A 8 12.968 -3.795 -0.455 1.00 0.00 H new ATOM 0 HA SER A 8 15.404 -3.933 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.070 -5.753 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.545 -6.222 -0.265 1.00 0.00 H new ATOM 0 HG SER A 8 13.641 -6.955 0.862 1.00 0.00 H new ATOM 138 N ASP A 9 15.830 -3.198 -2.142 1.00 0.00 N ATOM 139 CA ASP A 9 16.884 -2.889 -3.160 1.00 0.00 C ATOM 140 C ASP A 9 17.877 -1.859 -2.616 1.00 0.00 C ATOM 141 O ASP A 9 19.067 -2.102 -2.571 1.00 0.00 O ATOM 142 CB ASP A 9 16.230 -2.339 -4.429 1.00 0.00 C ATOM 143 CG ASP A 9 15.528 -3.474 -5.173 1.00 0.00 C ATOM 144 OD1 ASP A 9 16.101 -4.548 -5.250 1.00 0.00 O ATOM 145 OD2 ASP A 9 14.429 -3.251 -5.652 1.00 0.00 O ATOM 0 H ASP A 9 14.887 -2.895 -2.388 1.00 0.00 H new ATOM 0 HA ASP A 9 17.421 -3.809 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.513 -1.559 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 9 16.983 -1.881 -5.070 1.00 0.00 H new ATOM 150 N ILE A 10 17.400 -0.706 -2.220 1.00 0.00 N ATOM 151 CA ILE A 10 18.316 0.354 -1.698 1.00 0.00 C ATOM 152 C ILE A 10 19.074 -0.160 -0.468 1.00 0.00 C ATOM 153 O ILE A 10 20.270 0.021 -0.340 1.00 0.00 O ATOM 154 CB ILE A 10 17.488 1.609 -1.356 1.00 0.00 C ATOM 155 CG1 ILE A 10 18.426 2.812 -1.224 1.00 0.00 C ATOM 156 CG2 ILE A 10 16.690 1.431 -0.054 1.00 0.00 C ATOM 157 CD1 ILE A 10 17.714 4.070 -1.725 1.00 0.00 C ATOM 0 H ILE A 10 16.412 -0.452 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 10 19.054 0.613 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 10 16.773 1.772 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 10 18.726 2.941 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 10 19.336 2.642 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.121 2.338 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.006 0.589 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 10 17.377 1.240 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 10 18.381 4.927 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.436 3.939 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.817 4.242 -1.130 1.00 0.00 H new ATOM 169 N THR A 11 18.375 -0.793 0.434 1.00 0.00 N ATOM 170 CA THR A 11 19.030 -1.323 1.670 1.00 0.00 C ATOM 171 C THR A 11 20.143 -2.307 1.292 1.00 0.00 C ATOM 172 O THR A 11 21.159 -2.388 1.957 1.00 0.00 O ATOM 173 CB THR A 11 17.987 -2.037 2.536 1.00 0.00 C ATOM 174 OG1 THR A 11 16.763 -1.316 2.486 1.00 0.00 O ATOM 175 CG2 THR A 11 18.478 -2.109 3.986 1.00 0.00 C ATOM 0 H THR A 11 17.372 -0.968 0.370 1.00 0.00 H new ATOM 0 HA THR A 11 19.462 -0.493 2.229 1.00 0.00 H new ATOM 0 HB THR A 11 17.834 -3.048 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.093 -1.771 3.038 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.733 -2.618 4.598 1.00 0.00 H new ATOM 0 HG22 THR A 11 19.417 -2.661 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.634 -1.100 4.368 1.00 0.00 H new ATOM 183 N ASP A 12 19.961 -3.048 0.229 1.00 0.00 N ATOM 184 CA ASP A 12 21.009 -4.021 -0.197 1.00 0.00 C ATOM 185 C ASP A 12 22.218 -3.255 -0.729 1.00 0.00 C ATOM 186 O ASP A 12 23.352 -3.653 -0.535 1.00 0.00 O ATOM 187 CB ASP A 12 20.454 -4.927 -1.298 1.00 0.00 C ATOM 188 CG ASP A 12 21.014 -6.341 -1.129 1.00 0.00 C ATOM 189 OD1 ASP A 12 20.850 -6.897 -0.055 1.00 0.00 O ATOM 190 OD2 ASP A 12 21.602 -6.841 -2.073 1.00 0.00 O ATOM 0 H ASP A 12 19.130 -3.020 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 12 21.307 -4.632 0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.365 -4.948 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.724 -4.533 -2.278 1.00 0.00 H new ATOM 195 N VAL A 13 21.978 -2.159 -1.397 1.00 0.00 N ATOM 196 CA VAL A 13 23.103 -1.351 -1.951 1.00 0.00 C ATOM 197 C VAL A 13 23.890 -0.699 -0.806 1.00 0.00 C ATOM 198 O VAL A 13 25.043 -0.353 -0.966 1.00 0.00 O ATOM 199 CB VAL A 13 22.545 -0.268 -2.875 1.00 0.00 C ATOM 200 CG1 VAL A 13 23.696 0.508 -3.519 1.00 0.00 C ATOM 201 CG2 VAL A 13 21.697 -0.916 -3.971 1.00 0.00 C ATOM 0 H VAL A 13 21.047 -1.787 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 13 23.770 -2.002 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 13 21.929 0.416 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.293 1.278 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 13 24.300 0.975 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.316 -0.176 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 13 21.300 -0.143 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 13 22.314 -1.603 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.872 -1.464 -3.516 1.00 0.00 H new ATOM 211 N ILE A 14 23.277 -0.522 0.342 1.00 0.00 N ATOM 212 CA ILE A 14 23.993 0.118 1.489 1.00 0.00 C ATOM 213 C ILE A 14 24.820 -0.930 2.249 1.00 0.00 C ATOM 214 O ILE A 14 25.839 -0.614 2.835 1.00 0.00 O ATOM 215 CB ILE A 14 22.967 0.762 2.435 1.00 0.00 C ATOM 216 CG1 ILE A 14 22.158 1.811 1.664 1.00 0.00 C ATOM 217 CG2 ILE A 14 23.691 1.441 3.606 1.00 0.00 C ATOM 218 CD1 ILE A 14 21.044 2.361 2.559 1.00 0.00 C ATOM 0 H ILE A 14 22.312 -0.794 0.532 1.00 0.00 H new ATOM 0 HA ILE A 14 24.667 0.885 1.108 1.00 0.00 H new ATOM 0 HB ILE A 14 22.301 -0.009 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.811 2.621 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 14 21.730 1.367 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 14 22.958 1.895 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.270 0.699 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 14 24.360 2.212 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 14 20.470 3.107 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.385 1.547 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 14 21.483 2.821 3.444 1.00 0.00 H new ATOM 230 N PHE A 15 24.390 -2.166 2.250 1.00 0.00 N ATOM 231 CA PHE A 15 25.151 -3.227 2.981 1.00 0.00 C ATOM 232 C PHE A 15 26.418 -3.583 2.201 1.00 0.00 C ATOM 233 O PHE A 15 27.476 -3.774 2.772 1.00 0.00 O ATOM 234 CB PHE A 15 24.280 -4.477 3.120 1.00 0.00 C ATOM 235 CG PHE A 15 24.861 -5.388 4.178 1.00 0.00 C ATOM 236 CD1 PHE A 15 25.854 -6.315 3.835 1.00 0.00 C ATOM 237 CD2 PHE A 15 24.405 -5.308 5.499 1.00 0.00 C ATOM 238 CE1 PHE A 15 26.390 -7.161 4.815 1.00 0.00 C ATOM 239 CE2 PHE A 15 24.941 -6.153 6.477 1.00 0.00 C ATOM 240 CZ PHE A 15 25.933 -7.080 6.136 1.00 0.00 C ATOM 0 H PHE A 15 23.545 -2.487 1.777 1.00 0.00 H new ATOM 0 HA PHE A 15 25.423 -2.856 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 15 23.262 -4.195 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 15 24.224 -5.001 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 15 26.206 -6.377 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 15 23.639 -4.594 5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 15 27.156 -7.876 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 15 24.589 -6.090 7.496 1.00 0.00 H new ATOM 0 HZ PHE A 15 26.346 -7.732 6.891 1.00 0.00 H new ATOM 250 N ILE A 16 26.310 -3.686 0.904 1.00 0.00 N ATOM 251 CA ILE A 16 27.495 -4.046 0.070 1.00 0.00 C ATOM 252 C ILE A 16 28.447 -2.851 -0.042 1.00 0.00 C ATOM 253 O ILE A 16 29.642 -3.020 -0.201 1.00 0.00 O ATOM 254 CB ILE A 16 27.019 -4.455 -1.328 1.00 0.00 C ATOM 255 CG1 ILE A 16 25.925 -5.531 -1.218 1.00 0.00 C ATOM 256 CG2 ILE A 16 28.202 -4.998 -2.136 1.00 0.00 C ATOM 257 CD1 ILE A 16 26.459 -6.768 -0.484 1.00 0.00 C ATOM 0 H ILE A 16 25.447 -3.535 0.382 1.00 0.00 H new ATOM 0 HA ILE A 16 28.025 -4.875 0.539 1.00 0.00 H new ATOM 0 HB ILE A 16 26.607 -3.582 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 16 25.063 -5.129 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 16 25.582 -5.812 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 16 27.861 -5.288 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 16 28.966 -4.226 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 16 28.621 -5.867 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 16 25.672 -7.519 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 16 27.306 -7.180 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 16 26.780 -6.486 0.519 1.00 0.00 H new ATOM 269 N TYR A 17 27.932 -1.650 0.031 1.00 0.00 N ATOM 270 CA TYR A 17 28.815 -0.449 -0.078 1.00 0.00 C ATOM 271 C TYR A 17 29.792 -0.421 1.102 1.00 0.00 C ATOM 272 O TYR A 17 30.994 -0.390 0.922 1.00 0.00 O ATOM 273 CB TYR A 17 27.958 0.825 -0.070 1.00 0.00 C ATOM 274 CG TYR A 17 28.470 1.786 -1.116 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.660 2.488 -0.897 1.00 0.00 C ATOM 276 CD2 TYR A 17 27.759 1.967 -2.307 1.00 0.00 C ATOM 277 CE1 TYR A 17 30.140 3.372 -1.870 1.00 0.00 C ATOM 278 CE2 TYR A 17 28.238 2.852 -3.280 1.00 0.00 C ATOM 279 CZ TYR A 17 29.429 3.554 -3.062 1.00 0.00 C ATOM 280 OH TYR A 17 29.903 4.424 -4.021 1.00 0.00 O ATOM 0 H TYR A 17 26.940 -1.449 0.161 1.00 0.00 H new ATOM 0 HA TYR A 17 29.377 -0.498 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 17 26.916 0.576 -0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.991 1.292 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 17 30.208 2.348 0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 17 26.841 1.424 -2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.059 3.914 -1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 17 27.688 2.993 -4.199 1.00 0.00 H new ATOM 0 HH TYR A 17 29.291 4.432 -4.787 1.00 0.00 H new ATOM 290 N PHE A 18 29.279 -0.430 2.305 1.00 0.00 N ATOM 291 CA PHE A 18 30.163 -0.401 3.509 1.00 0.00 C ATOM 292 C PHE A 18 31.089 -1.620 3.509 1.00 0.00 C ATOM 293 O PHE A 18 32.195 -1.572 4.014 1.00 0.00 O ATOM 294 CB PHE A 18 29.294 -0.417 4.765 1.00 0.00 C ATOM 295 CG PHE A 18 28.898 0.998 5.103 1.00 0.00 C ATOM 296 CD1 PHE A 18 29.826 1.865 5.691 1.00 0.00 C ATOM 297 CD2 PHE A 18 27.604 1.447 4.816 1.00 0.00 C ATOM 298 CE1 PHE A 18 29.458 3.183 5.991 1.00 0.00 C ATOM 299 CE2 PHE A 18 27.236 2.762 5.117 1.00 0.00 C ATOM 300 CZ PHE A 18 28.163 3.631 5.704 1.00 0.00 C ATOM 0 H PHE A 18 28.279 -0.456 2.506 1.00 0.00 H new ATOM 0 HA PHE A 18 30.771 0.503 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 18 28.406 -1.028 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.840 -0.864 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 18 30.824 1.518 5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 18 26.889 0.777 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 18 30.173 3.854 6.444 1.00 0.00 H new ATOM 0 HE2 PHE A 18 26.237 3.107 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.879 4.647 5.936 1.00 0.00 H new ATOM 310 N ALA A 19 30.640 -2.709 2.948 1.00 0.00 N ATOM 311 CA ALA A 19 31.477 -3.945 2.904 1.00 0.00 C ATOM 312 C ALA A 19 32.776 -3.674 2.136 1.00 0.00 C ATOM 313 O ALA A 19 33.864 -3.861 2.648 1.00 0.00 O ATOM 314 CB ALA A 19 30.694 -5.051 2.193 1.00 0.00 C ATOM 0 H ALA A 19 29.721 -2.798 2.514 1.00 0.00 H new ATOM 0 HA ALA A 19 31.721 -4.251 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 19 31.298 -5.958 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 19 29.771 -5.251 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 19 30.455 -4.733 1.178 1.00 0.00 H new ATOM 320 N ALA A 20 32.663 -3.250 0.905 1.00 0.00 N ATOM 321 CA ALA A 20 33.875 -2.975 0.073 1.00 0.00 C ATOM 322 C ALA A 20 34.781 -1.943 0.748 1.00 0.00 C ATOM 323 O ALA A 20 35.962 -2.162 0.919 1.00 0.00 O ATOM 324 CB ALA A 20 33.432 -2.430 -1.282 1.00 0.00 C ATOM 0 H ALA A 20 31.774 -3.080 0.434 1.00 0.00 H new ATOM 0 HA ALA A 20 34.432 -3.904 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.309 -2.226 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.802 -3.166 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.868 -1.508 -1.137 1.00 0.00 H new ATOM 330 N LEU A 21 34.234 -0.814 1.099 1.00 0.00 N ATOM 331 CA LEU A 21 35.045 0.271 1.743 1.00 0.00 C ATOM 332 C LEU A 21 35.261 0.005 3.242 1.00 0.00 C ATOM 333 O LEU A 21 35.859 0.801 3.931 1.00 0.00 O ATOM 334 CB LEU A 21 34.294 1.587 1.588 1.00 0.00 C ATOM 335 CG LEU A 21 34.783 2.317 0.334 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.421 1.497 -0.906 1.00 0.00 C ATOM 337 CD2 LEU A 21 34.113 3.692 0.252 1.00 0.00 C ATOM 0 H LEU A 21 33.248 -0.588 0.968 1.00 0.00 H new ATOM 0 HA LEU A 21 36.021 0.306 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 21 33.223 1.399 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 21 34.450 2.211 2.468 1.00 0.00 H new ATOM 0 HG LEU A 21 35.865 2.442 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.769 2.016 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.897 0.518 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.339 1.372 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.460 4.213 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.031 3.567 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.370 4.275 1.136 1.00 0.00 H new ATOM 349 N SER A 22 34.769 -1.088 3.754 1.00 0.00 N ATOM 350 CA SER A 22 34.932 -1.392 5.216 1.00 0.00 C ATOM 351 C SER A 22 36.396 -1.226 5.693 1.00 0.00 C ATOM 352 O SER A 22 36.620 -0.636 6.731 1.00 0.00 O ATOM 353 CB SER A 22 34.461 -2.821 5.497 1.00 0.00 C ATOM 354 OG SER A 22 34.845 -3.193 6.814 1.00 0.00 O ATOM 0 H SER A 22 34.256 -1.793 3.224 1.00 0.00 H new ATOM 0 HA SER A 22 34.325 -0.676 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 22 33.378 -2.887 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 22 34.896 -3.509 4.771 1.00 0.00 H new ATOM 0 HG SER A 22 34.543 -4.107 6.997 1.00 0.00 H new ATOM 360 N PRO A 23 37.355 -1.749 4.952 1.00 0.00 N ATOM 361 CA PRO A 23 38.825 -1.686 5.284 1.00 0.00 C ATOM 362 C PRO A 23 39.400 -0.315 4.937 1.00 0.00 C ATOM 363 O PRO A 23 39.964 0.369 5.769 1.00 0.00 O ATOM 364 CB PRO A 23 39.492 -2.751 4.432 1.00 0.00 C ATOM 365 CG PRO A 23 38.590 -2.985 3.247 1.00 0.00 C ATOM 366 CD PRO A 23 37.203 -2.494 3.645 1.00 0.00 C ATOM 0 HA PRO A 23 38.992 -1.849 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 23 40.480 -2.425 4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 23 39.631 -3.671 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 23 38.954 -2.447 2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 23 38.565 -4.042 2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 23 36.789 -1.842 2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 23 36.515 -3.332 3.757 1.00 0.00 H new ATOM 374 N ALA A 24 39.277 0.070 3.699 1.00 0.00 N ATOM 375 CA ALA A 24 39.826 1.390 3.235 1.00 0.00 C ATOM 376 C ALA A 24 39.418 2.529 4.183 1.00 0.00 C ATOM 377 O ALA A 24 40.118 3.516 4.313 1.00 0.00 O ATOM 378 CB ALA A 24 39.291 1.690 1.834 1.00 0.00 C ATOM 0 H ALA A 24 38.814 -0.476 2.973 1.00 0.00 H new ATOM 0 HA ALA A 24 40.914 1.325 3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 24 39.685 2.647 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 24 39.603 0.902 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 24 38.202 1.736 1.862 1.00 0.00 H new ATOM 384 N ILE A 25 38.298 2.397 4.843 1.00 0.00 N ATOM 385 CA ILE A 25 37.841 3.464 5.783 1.00 0.00 C ATOM 386 C ILE A 25 38.521 3.261 7.143 1.00 0.00 C ATOM 387 O ILE A 25 38.906 4.210 7.799 1.00 0.00 O ATOM 388 CB ILE A 25 36.311 3.384 5.932 1.00 0.00 C ATOM 389 CG1 ILE A 25 35.657 3.677 4.569 1.00 0.00 C ATOM 390 CG2 ILE A 25 35.817 4.401 6.977 1.00 0.00 C ATOM 391 CD1 ILE A 25 35.960 5.112 4.117 1.00 0.00 C ATOM 0 H ILE A 25 37.676 1.592 4.771 1.00 0.00 H new ATOM 0 HA ILE A 25 38.109 4.447 5.396 1.00 0.00 H new ATOM 0 HB ILE A 25 36.036 2.384 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.025 2.971 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 25 34.579 3.533 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 25 34.733 4.331 7.069 1.00 0.00 H new ATOM 0 HG22 ILE A 25 36.278 4.185 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 25 36.090 5.408 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.488 5.297 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.569 5.815 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 25 37.038 5.245 4.025 1.00 0.00 H new ATOM 403 N THR A 26 38.665 2.032 7.567 1.00 0.00 N ATOM 404 CA THR A 26 39.312 1.759 8.886 1.00 0.00 C ATOM 405 C THR A 26 40.746 2.292 8.888 1.00 0.00 C ATOM 406 O THR A 26 41.277 2.656 9.921 1.00 0.00 O ATOM 407 CB THR A 26 39.333 0.250 9.141 1.00 0.00 C ATOM 408 OG1 THR A 26 38.083 -0.308 8.763 1.00 0.00 O ATOM 409 CG2 THR A 26 39.586 -0.013 10.627 1.00 0.00 C ATOM 0 H THR A 26 38.362 1.203 7.055 1.00 0.00 H new ATOM 0 HA THR A 26 38.743 2.258 9.671 1.00 0.00 H new ATOM 0 HB THR A 26 40.128 -0.209 8.554 1.00 0.00 H new ATOM 0 HG1 THR A 26 38.077 -0.472 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 26 39.601 -1.088 10.809 1.00 0.00 H new ATOM 0 HG22 THR A 26 40.545 0.417 10.914 1.00 0.00 H new ATOM 0 HG23 THR A 26 38.792 0.444 11.218 1.00 0.00 H new