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= 0.0577 USER MOD Single : A 11 THR OG1 : rot 91:sc= 1.23 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 78:sc= 0.214 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 15.034 11.098 7.465 1.00 0.00 N ATOM 109 CA LEU A 7 16.514 11.265 7.334 1.00 0.00 C ATOM 110 C LEU A 7 17.206 9.902 7.445 1.00 0.00 C ATOM 111 O LEU A 7 18.119 9.599 6.701 1.00 0.00 O ATOM 112 CB LEU A 7 17.020 12.186 8.450 1.00 0.00 C ATOM 113 CG LEU A 7 18.159 13.058 7.917 1.00 0.00 C ATOM 114 CD1 LEU A 7 17.614 14.031 6.869 1.00 0.00 C ATOM 115 CD2 LEU A 7 18.779 13.850 9.070 1.00 0.00 C ATOM 0 HA LEU A 7 16.742 11.703 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.207 12.814 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.368 11.593 9.296 1.00 0.00 H new ATOM 0 HG LEU A 7 18.918 12.421 7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.427 14.651 6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.173 13.469 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.854 14.667 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.590 14.471 8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.019 14.485 9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.170 13.159 9.817 1.00 0.00 H new ATOM 127 N SER A 8 16.780 9.085 8.373 1.00 0.00 N ATOM 128 CA SER A 8 17.409 7.740 8.547 1.00 0.00 C ATOM 129 C SER A 8 17.126 6.861 7.321 1.00 0.00 C ATOM 130 O SER A 8 17.846 5.920 7.049 1.00 0.00 O ATOM 131 CB SER A 8 16.831 7.068 9.795 1.00 0.00 C ATOM 132 OG SER A 8 15.450 7.383 9.903 1.00 0.00 O ATOM 0 H SER A 8 16.020 9.292 9.021 1.00 0.00 H new ATOM 0 HA SER A 8 18.487 7.863 8.657 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.965 5.988 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.363 7.407 10.684 1.00 0.00 H new ATOM 0 HG SER A 8 15.078 6.952 10.701 1.00 0.00 H new ATOM 138 N ASP A 9 16.078 7.153 6.589 1.00 0.00 N ATOM 139 CA ASP A 9 15.740 6.328 5.390 1.00 0.00 C ATOM 140 C ASP A 9 16.762 6.566 4.277 1.00 0.00 C ATOM 141 O ASP A 9 17.424 5.652 3.826 1.00 0.00 O ATOM 142 CB ASP A 9 14.350 6.717 4.884 1.00 0.00 C ATOM 143 CG ASP A 9 13.688 5.505 4.227 1.00 0.00 C ATOM 144 OD1 ASP A 9 14.253 4.987 3.277 1.00 0.00 O ATOM 145 OD2 ASP A 9 12.627 5.114 4.685 1.00 0.00 O ATOM 0 H ASP A 9 15.442 7.929 6.772 1.00 0.00 H new ATOM 0 HA ASP A 9 15.756 5.275 5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.737 7.075 5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.428 7.535 4.168 1.00 0.00 H new ATOM 150 N ILE A 10 16.883 7.787 3.825 1.00 0.00 N ATOM 151 CA ILE A 10 17.849 8.107 2.728 1.00 0.00 C ATOM 152 C ILE A 10 19.265 7.685 3.132 1.00 0.00 C ATOM 153 O ILE A 10 20.000 7.109 2.353 1.00 0.00 O ATOM 154 CB ILE A 10 17.788 9.619 2.453 1.00 0.00 C ATOM 155 CG1 ILE A 10 18.547 9.940 1.165 1.00 0.00 C ATOM 156 CG2 ILE A 10 18.387 10.422 3.614 1.00 0.00 C ATOM 157 CD1 ILE A 10 18.121 11.318 0.659 1.00 0.00 C ATOM 0 H ILE A 10 16.350 8.584 4.171 1.00 0.00 H new ATOM 0 HA ILE A 10 17.584 7.561 1.823 1.00 0.00 H new ATOM 0 HB ILE A 10 16.740 9.901 2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 10 19.621 9.923 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 10 18.341 9.182 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 10 18.329 11.487 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.829 10.213 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 10 19.430 10.137 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 10 18.660 11.551 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.049 11.317 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 10 18.350 12.070 1.414 1.00 0.00 H new ATOM 169 N THR A 11 19.640 7.977 4.345 1.00 0.00 N ATOM 170 CA THR A 11 21.005 7.604 4.825 1.00 0.00 C ATOM 171 C THR A 11 21.165 6.080 4.785 1.00 0.00 C ATOM 172 O THR A 11 22.246 5.568 4.563 1.00 0.00 O ATOM 173 CB THR A 11 21.198 8.105 6.259 1.00 0.00 C ATOM 174 OG1 THR A 11 20.830 9.476 6.330 1.00 0.00 O ATOM 175 CG2 THR A 11 22.665 7.949 6.675 1.00 0.00 C ATOM 0 H THR A 11 19.059 8.460 5.030 1.00 0.00 H new ATOM 0 HA THR A 11 21.754 8.062 4.179 1.00 0.00 H new ATOM 0 HB THR A 11 20.572 7.519 6.932 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.879 9.548 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.794 8.308 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.949 6.898 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.297 8.530 6.004 1.00 0.00 H new ATOM 183 N ASP A 12 20.093 5.356 4.995 1.00 0.00 N ATOM 184 CA ASP A 12 20.172 3.865 4.966 1.00 0.00 C ATOM 185 C ASP A 12 20.400 3.402 3.526 1.00 0.00 C ATOM 186 O ASP A 12 21.104 2.440 3.275 1.00 0.00 O ATOM 187 CB ASP A 12 18.859 3.273 5.490 1.00 0.00 C ATOM 188 CG ASP A 12 19.000 2.942 6.977 1.00 0.00 C ATOM 189 OD1 ASP A 12 19.427 3.811 7.720 1.00 0.00 O ATOM 190 OD2 ASP A 12 18.677 1.825 7.348 1.00 0.00 O ATOM 0 H ASP A 12 19.166 5.735 5.185 1.00 0.00 H new ATOM 0 HA ASP A 12 20.997 3.529 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.044 3.982 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.605 2.373 4.930 1.00 0.00 H new ATOM 195 N VAL A 13 19.806 4.083 2.583 1.00 0.00 N ATOM 196 CA VAL A 13 19.970 3.700 1.153 1.00 0.00 C ATOM 197 C VAL A 13 21.407 3.985 0.704 1.00 0.00 C ATOM 198 O VAL A 13 21.955 3.285 -0.125 1.00 0.00 O ATOM 199 CB VAL A 13 18.987 4.505 0.306 1.00 0.00 C ATOM 200 CG1 VAL A 13 19.077 4.059 -1.156 1.00 0.00 C ATOM 201 CG2 VAL A 13 17.565 4.269 0.820 1.00 0.00 C ATOM 0 H VAL A 13 19.210 4.895 2.745 1.00 0.00 H new ATOM 0 HA VAL A 13 19.768 2.636 1.030 1.00 0.00 H new ATOM 0 HB VAL A 13 19.234 5.564 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.374 4.636 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 13 20.089 4.223 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 13 18.832 2.999 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.860 4.842 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 13 17.324 3.208 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 13 17.496 4.588 1.860 1.00 0.00 H new ATOM 211 N ILE A 14 22.016 5.004 1.251 1.00 0.00 N ATOM 212 CA ILE A 14 23.418 5.343 0.868 1.00 0.00 C ATOM 213 C ILE A 14 24.388 4.372 1.552 1.00 0.00 C ATOM 214 O ILE A 14 25.476 4.129 1.065 1.00 0.00 O ATOM 215 CB ILE A 14 23.724 6.778 1.307 1.00 0.00 C ATOM 216 CG1 ILE A 14 22.693 7.724 0.684 1.00 0.00 C ATOM 217 CG2 ILE A 14 25.134 7.179 0.851 1.00 0.00 C ATOM 218 CD1 ILE A 14 22.845 9.119 1.294 1.00 0.00 C ATOM 0 H ILE A 14 21.600 5.619 1.950 1.00 0.00 H new ATOM 0 HA ILE A 14 23.535 5.259 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 14 23.674 6.842 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.833 7.771 -0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 14 21.685 7.347 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 14 25.342 8.201 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 14 25.866 6.505 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.197 7.116 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.111 9.792 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.684 9.065 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 14 23.849 9.495 1.096 1.00 0.00 H new ATOM 230 N PHE A 15 24.000 3.816 2.673 1.00 0.00 N ATOM 231 CA PHE A 15 24.890 2.861 3.389 1.00 0.00 C ATOM 232 C PHE A 15 25.041 1.585 2.554 1.00 0.00 C ATOM 233 O PHE A 15 26.107 1.002 2.482 1.00 0.00 O ATOM 234 CB PHE A 15 24.263 2.525 4.744 1.00 0.00 C ATOM 235 CG PHE A 15 25.346 2.351 5.781 1.00 0.00 C ATOM 236 CD1 PHE A 15 25.939 1.098 5.972 1.00 0.00 C ATOM 237 CD2 PHE A 15 25.756 3.444 6.554 1.00 0.00 C ATOM 238 CE1 PHE A 15 26.941 0.938 6.936 1.00 0.00 C ATOM 239 CE2 PHE A 15 26.757 3.284 7.518 1.00 0.00 C ATOM 240 CZ PHE A 15 27.351 2.031 7.709 1.00 0.00 C ATOM 0 H PHE A 15 23.100 3.986 3.122 1.00 0.00 H new ATOM 0 HA PHE A 15 25.874 3.306 3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 15 23.582 3.320 5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 15 23.673 1.612 4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 15 25.624 0.255 5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 15 25.299 4.411 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 15 27.398 -0.029 7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 15 27.072 4.127 8.115 1.00 0.00 H new ATOM 0 HZ PHE A 15 28.125 1.907 8.452 1.00 0.00 H new ATOM 250 N ILE A 16 23.978 1.152 1.921 1.00 0.00 N ATOM 251 CA ILE A 16 24.041 -0.083 1.082 1.00 0.00 C ATOM 252 C ILE A 16 24.579 0.260 -0.316 1.00 0.00 C ATOM 253 O ILE A 16 25.096 -0.592 -1.013 1.00 0.00 O ATOM 254 CB ILE A 16 22.632 -0.677 0.956 1.00 0.00 C ATOM 255 CG1 ILE A 16 22.053 -0.942 2.356 1.00 0.00 C ATOM 256 CG2 ILE A 16 22.682 -1.987 0.159 1.00 0.00 C ATOM 257 CD1 ILE A 16 22.923 -1.954 3.115 1.00 0.00 C ATOM 0 H ILE A 16 23.064 1.605 1.950 1.00 0.00 H new ATOM 0 HA ILE A 16 24.707 -0.806 1.552 1.00 0.00 H new ATOM 0 HB ILE A 16 21.994 0.033 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.998 -0.008 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.035 -1.322 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 16 21.677 -2.401 0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 16 23.078 -1.792 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 16 23.326 -2.701 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.499 -2.130 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.955 -2.893 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 16 23.934 -1.559 3.219 1.00 0.00 H new ATOM 269 N TYR A 17 24.454 1.498 -0.732 1.00 0.00 N ATOM 270 CA TYR A 17 24.948 1.897 -2.084 1.00 0.00 C ATOM 271 C TYR A 17 26.464 1.691 -2.166 1.00 0.00 C ATOM 272 O TYR A 17 26.972 1.114 -3.109 1.00 0.00 O ATOM 273 CB TYR A 17 24.624 3.375 -2.319 1.00 0.00 C ATOM 274 CG TYR A 17 24.427 3.627 -3.795 1.00 0.00 C ATOM 275 CD1 TYR A 17 23.213 3.292 -4.406 1.00 0.00 C ATOM 276 CD2 TYR A 17 25.457 4.200 -4.551 1.00 0.00 C ATOM 277 CE1 TYR A 17 23.029 3.528 -5.773 1.00 0.00 C ATOM 278 CE2 TYR A 17 25.272 4.437 -5.919 1.00 0.00 C ATOM 279 CZ TYR A 17 24.058 4.101 -6.529 1.00 0.00 C ATOM 280 OH TYR A 17 23.876 4.333 -7.877 1.00 0.00 O ATOM 0 H TYR A 17 24.029 2.250 -0.190 1.00 0.00 H new ATOM 0 HA TYR A 17 24.462 1.284 -2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 17 23.724 3.651 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 17 25.433 3.999 -1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 17 22.418 2.851 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 17 26.393 4.459 -4.080 1.00 0.00 H new ATOM 0 HE1 TYR A 17 22.093 3.268 -6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 17 26.066 4.879 -6.503 1.00 0.00 H new ATOM 0 HH TYR A 17 24.687 4.736 -8.252 1.00 0.00 H new ATOM 290 N PHE A 18 27.183 2.171 -1.186 1.00 0.00 N ATOM 291 CA PHE A 18 28.670 2.028 -1.188 1.00 0.00 C ATOM 292 C PHE A 18 29.065 0.644 -0.683 1.00 0.00 C ATOM 293 O PHE A 18 29.964 0.019 -1.202 1.00 0.00 O ATOM 294 CB PHE A 18 29.270 3.079 -0.258 1.00 0.00 C ATOM 295 CG PHE A 18 30.725 3.286 -0.600 1.00 0.00 C ATOM 296 CD1 PHE A 18 31.697 2.444 -0.045 1.00 0.00 C ATOM 297 CD2 PHE A 18 31.105 4.317 -1.467 1.00 0.00 C ATOM 298 CE1 PHE A 18 33.048 2.633 -0.357 1.00 0.00 C ATOM 299 CE2 PHE A 18 32.458 4.506 -1.780 1.00 0.00 C ATOM 300 CZ PHE A 18 33.429 3.664 -1.224 1.00 0.00 C ATOM 0 H PHE A 18 26.801 2.660 -0.377 1.00 0.00 H new ATOM 0 HA PHE A 18 29.041 2.161 -2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 18 28.726 4.018 -0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.172 2.760 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.404 1.649 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 18 30.356 4.967 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.797 1.983 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 18 32.752 5.301 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 18 34.472 3.810 -1.464 1.00 0.00 H new ATOM 310 N ALA A 19 28.400 0.179 0.340 1.00 0.00 N ATOM 311 CA ALA A 19 28.708 -1.167 0.940 1.00 0.00 C ATOM 312 C ALA A 19 28.873 -2.235 -0.142 1.00 0.00 C ATOM 313 O ALA A 19 29.750 -3.072 -0.082 1.00 0.00 O ATOM 314 CB ALA A 19 27.541 -1.579 1.826 1.00 0.00 C ATOM 0 H ALA A 19 27.640 0.680 0.799 1.00 0.00 H new ATOM 0 HA ALA A 19 29.637 -1.086 1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 19 27.747 -2.553 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 19 27.407 -0.841 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 19 26.632 -1.638 1.227 1.00 0.00 H new ATOM 320 N ALA A 20 28.015 -2.210 -1.116 1.00 0.00 N ATOM 321 CA ALA A 20 28.066 -3.219 -2.226 1.00 0.00 C ATOM 322 C ALA A 20 29.482 -3.331 -2.800 1.00 0.00 C ATOM 323 O ALA A 20 30.037 -4.406 -2.911 1.00 0.00 O ATOM 324 CB ALA A 20 27.124 -2.777 -3.341 1.00 0.00 C ATOM 0 H ALA A 20 27.264 -1.525 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 20 27.769 -4.189 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.154 -3.504 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 20 26.108 -2.708 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 20 27.436 -1.802 -3.716 1.00 0.00 H new ATOM 330 N LEU A 21 30.047 -2.223 -3.179 1.00 0.00 N ATOM 331 CA LEU A 21 31.422 -2.227 -3.771 1.00 0.00 C ATOM 332 C LEU A 21 32.502 -2.199 -2.671 1.00 0.00 C ATOM 333 O LEU A 21 33.670 -2.393 -2.942 1.00 0.00 O ATOM 334 CB LEU A 21 31.578 -0.995 -4.661 1.00 0.00 C ATOM 335 CG LEU A 21 30.842 -1.228 -5.984 1.00 0.00 C ATOM 336 CD1 LEU A 21 30.603 0.110 -6.687 1.00 0.00 C ATOM 337 CD2 LEU A 21 31.687 -2.131 -6.885 1.00 0.00 C ATOM 0 H LEU A 21 29.615 -1.302 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 21 31.550 -3.140 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.175 -0.116 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 21 32.634 -0.799 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 21 29.883 -1.705 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 21 30.079 -0.062 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 21 29.999 0.754 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.560 0.592 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 21 31.164 -2.297 -7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.646 -1.653 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 21 31.853 -3.087 -6.389 1.00 0.00 H new ATOM 349 N SER A 22 32.124 -1.955 -1.440 1.00 0.00 N ATOM 350 CA SER A 22 33.120 -1.901 -0.319 1.00 0.00 C ATOM 351 C SER A 22 34.044 -3.141 -0.293 1.00 0.00 C ATOM 352 O SER A 22 35.243 -2.988 -0.178 1.00 0.00 O ATOM 353 CB SER A 22 32.378 -1.797 1.015 1.00 0.00 C ATOM 354 OG SER A 22 33.296 -2.008 2.080 1.00 0.00 O ATOM 0 H SER A 22 31.158 -1.789 -1.159 1.00 0.00 H new ATOM 0 HA SER A 22 33.748 -1.025 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 22 31.912 -0.816 1.110 1.00 0.00 H new ATOM 0 HB3 SER A 22 31.577 -2.536 1.058 1.00 0.00 H new ATOM 0 HG SER A 22 32.825 -1.941 2.936 1.00 0.00 H new ATOM 360 N PRO A 23 33.485 -4.331 -0.381 1.00 0.00 N ATOM 361 CA PRO A 23 34.246 -5.635 -0.351 1.00 0.00 C ATOM 362 C PRO A 23 35.072 -5.798 -1.616 1.00 0.00 C ATOM 363 O PRO A 23 36.275 -5.968 -1.573 1.00 0.00 O ATOM 364 CB PRO A 23 33.201 -6.734 -0.259 1.00 0.00 C ATOM 365 CG PRO A 23 31.921 -6.149 -0.788 1.00 0.00 C ATOM 366 CD PRO A 23 32.013 -4.649 -0.540 1.00 0.00 C ATOM 0 HA PRO A 23 34.936 -5.670 0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 23 33.501 -7.604 -0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 23 33.079 -7.068 0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 23 31.804 -6.363 -1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 23 31.057 -6.577 -0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 23 31.583 -4.091 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 23 31.456 -4.368 0.354 1.00 0.00 H new ATOM 374 N ALA A 24 34.420 -5.760 -2.740 1.00 0.00 N ATOM 375 CA ALA A 24 35.124 -5.920 -4.055 1.00 0.00 C ATOM 376 C ALA A 24 36.378 -5.031 -4.124 1.00 0.00 C ATOM 377 O ALA A 24 37.332 -5.352 -4.807 1.00 0.00 O ATOM 378 CB ALA A 24 34.170 -5.527 -5.183 1.00 0.00 C ATOM 0 H ALA A 24 33.412 -5.623 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 24 35.432 -6.961 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 24 34.675 -5.641 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 24 33.291 -6.171 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 24 33.863 -4.489 -5.055 1.00 0.00 H new ATOM 384 N ILE A 25 36.383 -3.925 -3.420 1.00 0.00 N ATOM 385 CA ILE A 25 37.576 -3.025 -3.443 1.00 0.00 C ATOM 386 C ILE A 25 38.643 -3.568 -2.485 1.00 0.00 C ATOM 387 O ILE A 25 39.820 -3.565 -2.791 1.00 0.00 O ATOM 388 CB ILE A 25 37.175 -1.609 -3.009 1.00 0.00 C ATOM 389 CG1 ILE A 25 36.055 -1.088 -3.912 1.00 0.00 C ATOM 390 CG2 ILE A 25 38.383 -0.676 -3.127 1.00 0.00 C ATOM 391 CD1 ILE A 25 35.209 -0.075 -3.138 1.00 0.00 C ATOM 0 H ILE A 25 35.613 -3.608 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 25 37.975 -2.988 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 25 36.829 -1.638 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.478 -0.621 -4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 25 35.432 -1.915 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 25 38.097 0.330 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 25 39.186 -1.038 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.726 -0.655 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.410 0.298 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.776 -0.557 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 25 35.838 0.757 -2.821 1.00 0.00 H new ATOM 403 N THR A 26 38.237 -4.027 -1.327 1.00 0.00 N ATOM 404 CA THR A 26 39.221 -4.568 -0.339 1.00 0.00 C ATOM 405 C THR A 26 39.976 -5.753 -0.950 1.00 0.00 C ATOM 406 O THR A 26 41.104 -6.032 -0.588 1.00 0.00 O ATOM 407 CB THR A 26 38.477 -5.031 0.918 1.00 0.00 C ATOM 408 OG1 THR A 26 37.672 -3.968 1.410 1.00 0.00 O ATOM 409 CG2 THR A 26 39.486 -5.448 1.989 1.00 0.00 C ATOM 0 H THR A 26 37.264 -4.050 -1.023 1.00 0.00 H new ATOM 0 HA THR A 26 39.934 -3.786 -0.077 1.00 0.00 H new ATOM 0 HB THR A 26 37.843 -5.882 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 26 36.861 -3.892 0.865 1.00 0.00 H new ATOM 0 HG21 THR A 26 38.954 -5.777 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 26 40.101 -6.265 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 26 40.123 -4.600 2.238 1.00 0.00 H new