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= 0.0372 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 38:sc= 0.67 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 19.957 7.974 13.080 1.00 0.00 N ATOM 109 CA LEU A 7 21.176 7.401 12.433 1.00 0.00 C ATOM 110 C LEU A 7 20.901 5.967 11.960 1.00 0.00 C ATOM 111 O LEU A 7 21.561 5.467 11.066 1.00 0.00 O ATOM 112 CB LEU A 7 22.335 7.400 13.442 1.00 0.00 C ATOM 113 CG LEU A 7 23.587 7.993 12.792 1.00 0.00 C ATOM 114 CD1 LEU A 7 23.602 9.508 13.006 1.00 0.00 C ATOM 115 CD2 LEU A 7 24.835 7.378 13.429 1.00 0.00 C ATOM 0 HA LEU A 7 21.442 8.011 11.569 1.00 0.00 H new ATOM 0 HB2 LEU A 7 22.062 7.980 14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 7 22.536 6.383 13.779 1.00 0.00 H new ATOM 0 HG LEU A 7 23.579 7.775 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.493 9.932 12.544 1.00 0.00 H new ATOM 0 HD12 LEU A 7 22.714 9.948 12.553 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.610 9.725 14.074 1.00 0.00 H new ATOM 0 HD21 LEU A 7 25.726 7.801 12.965 1.00 0.00 H new ATOM 0 HD22 LEU A 7 24.843 7.596 14.497 1.00 0.00 H new ATOM 0 HD23 LEU A 7 24.826 6.298 13.279 1.00 0.00 H new ATOM 127 N SER A 8 19.937 5.301 12.549 1.00 0.00 N ATOM 128 CA SER A 8 19.625 3.900 12.130 1.00 0.00 C ATOM 129 C SER A 8 19.231 3.880 10.650 1.00 0.00 C ATOM 130 O SER A 8 19.432 2.898 9.960 1.00 0.00 O ATOM 131 CB SER A 8 18.471 3.358 12.973 1.00 0.00 C ATOM 132 OG SER A 8 18.989 2.796 14.172 1.00 0.00 O ATOM 0 H SER A 8 19.354 5.668 13.301 1.00 0.00 H new ATOM 0 HA SER A 8 20.506 3.276 12.277 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.769 4.158 13.207 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.919 2.603 12.413 1.00 0.00 H new ATOM 0 HG SER A 8 18.251 2.449 14.716 1.00 0.00 H new ATOM 138 N ASP A 9 18.679 4.962 10.158 1.00 0.00 N ATOM 139 CA ASP A 9 18.277 5.015 8.722 1.00 0.00 C ATOM 140 C ASP A 9 19.523 4.891 7.845 1.00 0.00 C ATOM 141 O ASP A 9 19.499 4.255 6.808 1.00 0.00 O ATOM 142 CB ASP A 9 17.584 6.349 8.431 1.00 0.00 C ATOM 143 CG ASP A 9 16.870 6.266 7.080 1.00 0.00 C ATOM 144 OD1 ASP A 9 16.200 5.274 6.847 1.00 0.00 O ATOM 145 OD2 ASP A 9 17.006 7.196 6.302 1.00 0.00 O ATOM 0 H ASP A 9 18.490 5.811 10.691 1.00 0.00 H new ATOM 0 HA ASP A 9 17.591 4.196 8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.868 6.579 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.316 7.157 8.419 1.00 0.00 H new ATOM 150 N ILE A 10 20.609 5.494 8.257 1.00 0.00 N ATOM 151 CA ILE A 10 21.864 5.419 7.453 1.00 0.00 C ATOM 152 C ILE A 10 22.368 3.974 7.437 1.00 0.00 C ATOM 153 O ILE A 10 22.886 3.503 6.443 1.00 0.00 O ATOM 154 CB ILE A 10 22.929 6.332 8.070 1.00 0.00 C ATOM 155 CG1 ILE A 10 22.376 7.757 8.185 1.00 0.00 C ATOM 156 CG2 ILE A 10 24.174 6.345 7.176 1.00 0.00 C ATOM 157 CD1 ILE A 10 23.379 8.644 8.928 1.00 0.00 C ATOM 0 H ILE A 10 20.680 6.036 9.118 1.00 0.00 H new ATOM 0 HA ILE A 10 21.663 5.746 6.433 1.00 0.00 H new ATOM 0 HB ILE A 10 23.194 5.960 9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 10 22.183 8.163 7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.424 7.746 8.715 1.00 0.00 H new ATOM 0 HG21 ILE A 10 24.931 6.995 7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 10 24.570 5.333 7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 10 23.908 6.716 6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.981 9.656 9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 10 23.550 8.242 9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 10 24.321 8.666 8.380 1.00 0.00 H new ATOM 169 N THR A 11 22.212 3.266 8.530 1.00 0.00 N ATOM 170 CA THR A 11 22.674 1.845 8.580 1.00 0.00 C ATOM 171 C THR A 11 21.906 1.031 7.537 1.00 0.00 C ATOM 172 O THR A 11 22.455 0.156 6.893 1.00 0.00 O ATOM 173 CB THR A 11 22.414 1.270 9.976 1.00 0.00 C ATOM 174 OG1 THR A 11 22.616 2.286 10.948 1.00 0.00 O ATOM 175 CG2 THR A 11 23.372 0.105 10.250 1.00 0.00 C ATOM 0 H THR A 11 21.785 3.612 9.389 1.00 0.00 H new ATOM 0 HA THR A 11 23.742 1.798 8.367 1.00 0.00 H new ATOM 0 HB THR A 11 21.387 0.908 10.029 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.449 1.921 11.842 1.00 0.00 H new ATOM 0 HG21 THR A 11 23.180 -0.298 11.245 1.00 0.00 H new ATOM 0 HG22 THR A 11 23.217 -0.676 9.506 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.401 0.460 10.195 1.00 0.00 H new ATOM 183 N ASP A 12 20.642 1.323 7.360 1.00 0.00 N ATOM 184 CA ASP A 12 19.833 0.583 6.352 1.00 0.00 C ATOM 185 C ASP A 12 20.390 0.878 4.959 1.00 0.00 C ATOM 186 O ASP A 12 20.351 0.043 4.075 1.00 0.00 O ATOM 187 CB ASP A 12 18.376 1.040 6.432 1.00 0.00 C ATOM 188 CG ASP A 12 17.615 0.155 7.422 1.00 0.00 C ATOM 189 OD1 ASP A 12 18.136 -0.075 8.501 1.00 0.00 O ATOM 190 OD2 ASP A 12 16.526 -0.277 7.084 1.00 0.00 O ATOM 0 H ASP A 12 20.137 2.045 7.873 1.00 0.00 H new ATOM 0 HA ASP A 12 19.882 -0.488 6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.328 2.082 6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 12 17.912 0.984 5.447 1.00 0.00 H new ATOM 195 N VAL A 13 20.916 2.061 4.764 1.00 0.00 N ATOM 196 CA VAL A 13 21.488 2.424 3.436 1.00 0.00 C ATOM 197 C VAL A 13 22.807 1.673 3.234 1.00 0.00 C ATOM 198 O VAL A 13 23.174 1.344 2.122 1.00 0.00 O ATOM 199 CB VAL A 13 21.737 3.931 3.381 1.00 0.00 C ATOM 200 CG1 VAL A 13 22.238 4.325 1.989 1.00 0.00 C ATOM 201 CG2 VAL A 13 20.430 4.670 3.676 1.00 0.00 C ATOM 0 H VAL A 13 20.973 2.793 5.472 1.00 0.00 H new ATOM 0 HA VAL A 13 20.788 2.149 2.647 1.00 0.00 H new ATOM 0 HB VAL A 13 22.489 4.199 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 13 22.414 5.400 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.168 3.799 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 13 21.489 4.057 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.603 5.745 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 13 19.682 4.396 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.073 4.395 4.668 1.00 0.00 H new ATOM 211 N ILE A 14 23.516 1.392 4.301 1.00 0.00 N ATOM 212 CA ILE A 14 24.806 0.651 4.171 1.00 0.00 C ATOM 213 C ILE A 14 24.510 -0.762 3.658 1.00 0.00 C ATOM 214 O ILE A 14 25.289 -1.338 2.921 1.00 0.00 O ATOM 215 CB ILE A 14 25.507 0.590 5.538 1.00 0.00 C ATOM 216 CG1 ILE A 14 25.797 2.018 6.016 1.00 0.00 C ATOM 217 CG2 ILE A 14 26.829 -0.187 5.421 1.00 0.00 C ATOM 218 CD1 ILE A 14 26.397 1.987 7.426 1.00 0.00 C ATOM 0 H ILE A 14 23.256 1.644 5.254 1.00 0.00 H new ATOM 0 HA ILE A 14 25.465 1.161 3.468 1.00 0.00 H new ATOM 0 HB ILE A 14 24.859 0.081 6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 14 26.487 2.507 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 14 24.878 2.604 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 14 27.317 -0.224 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 14 26.626 -1.202 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 14 27.483 0.313 4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 14 26.600 3.005 7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 14 25.692 1.516 8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 14 27.326 1.418 7.413 1.00 0.00 H new ATOM 230 N PHE A 15 23.383 -1.314 4.032 1.00 0.00 N ATOM 231 CA PHE A 15 23.021 -2.682 3.559 1.00 0.00 C ATOM 232 C PHE A 15 22.821 -2.638 2.043 1.00 0.00 C ATOM 233 O PHE A 15 23.445 -3.373 1.301 1.00 0.00 O ATOM 234 CB PHE A 15 21.725 -3.130 4.240 1.00 0.00 C ATOM 235 CG PHE A 15 21.437 -4.573 3.899 1.00 0.00 C ATOM 236 CD1 PHE A 15 22.418 -5.553 4.098 1.00 0.00 C ATOM 237 CD2 PHE A 15 20.184 -4.933 3.385 1.00 0.00 C ATOM 238 CE1 PHE A 15 22.147 -6.890 3.786 1.00 0.00 C ATOM 239 CE2 PHE A 15 19.913 -6.271 3.073 1.00 0.00 C ATOM 240 CZ PHE A 15 20.895 -7.249 3.273 1.00 0.00 C ATOM 0 H PHE A 15 22.698 -0.874 4.646 1.00 0.00 H new ATOM 0 HA PHE A 15 23.814 -3.387 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.812 -3.013 5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 15 20.897 -2.499 3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 15 23.385 -5.276 4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.427 -4.178 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 15 22.904 -7.645 3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.947 -6.549 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 15 20.686 -8.281 3.031 1.00 0.00 H new ATOM 250 N ILE A 16 21.963 -1.764 1.582 1.00 0.00 N ATOM 251 CA ILE A 16 21.721 -1.641 0.116 1.00 0.00 C ATOM 252 C ILE A 16 23.022 -1.209 -0.581 1.00 0.00 C ATOM 253 O ILE A 16 23.167 -1.375 -1.777 1.00 0.00 O ATOM 254 CB ILE A 16 20.615 -0.597 -0.120 1.00 0.00 C ATOM 255 CG1 ILE A 16 19.302 -1.086 0.517 1.00 0.00 C ATOM 256 CG2 ILE A 16 20.403 -0.364 -1.623 1.00 0.00 C ATOM 257 CD1 ILE A 16 18.851 -2.411 -0.118 1.00 0.00 C ATOM 0 H ILE A 16 21.417 -1.127 2.163 1.00 0.00 H new ATOM 0 HA ILE A 16 21.404 -2.599 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 16 20.919 0.344 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 16 19.440 -1.220 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 16 18.526 -0.332 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.617 0.377 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 16 21.330 -0.003 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 16 20.111 -1.300 -2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 16 17.921 -2.739 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 16 18.692 -2.267 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 16 19.620 -3.168 0.035 1.00 0.00 H new ATOM 269 N TYR A 17 23.970 -0.662 0.150 1.00 0.00 N ATOM 270 CA TYR A 17 25.249 -0.235 -0.488 1.00 0.00 C ATOM 271 C TYR A 17 26.003 -1.474 -0.966 1.00 0.00 C ATOM 272 O TYR A 17 26.552 -1.493 -2.050 1.00 0.00 O ATOM 273 CB TYR A 17 26.110 0.534 0.521 1.00 0.00 C ATOM 274 CG TYR A 17 26.843 1.647 -0.194 1.00 0.00 C ATOM 275 CD1 TYR A 17 26.130 2.742 -0.696 1.00 0.00 C ATOM 276 CD2 TYR A 17 28.231 1.580 -0.360 1.00 0.00 C ATOM 277 CE1 TYR A 17 26.805 3.770 -1.365 1.00 0.00 C ATOM 278 CE2 TYR A 17 28.907 2.610 -1.027 1.00 0.00 C ATOM 279 CZ TYR A 17 28.194 3.704 -1.531 1.00 0.00 C ATOM 280 OH TYR A 17 28.862 4.716 -2.193 1.00 0.00 O ATOM 0 H TYR A 17 23.909 -0.496 1.155 1.00 0.00 H new ATOM 0 HA TYR A 17 25.032 0.417 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.483 0.945 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 17 26.823 -0.140 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 17 25.059 2.794 -0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.781 0.734 0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 17 26.254 4.614 -1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 17 29.979 2.560 -1.152 1.00 0.00 H new ATOM 0 HH TYR A 17 29.820 4.513 -2.219 1.00 0.00 H new ATOM 290 N PHE A 18 26.024 -2.513 -0.169 1.00 0.00 N ATOM 291 CA PHE A 18 26.731 -3.760 -0.582 1.00 0.00 C ATOM 292 C PHE A 18 25.965 -4.404 -1.740 1.00 0.00 C ATOM 293 O PHE A 18 26.540 -5.040 -2.603 1.00 0.00 O ATOM 294 CB PHE A 18 26.793 -4.729 0.601 1.00 0.00 C ATOM 295 CG PHE A 18 28.065 -4.486 1.376 1.00 0.00 C ATOM 296 CD1 PHE A 18 28.165 -3.379 2.227 1.00 0.00 C ATOM 297 CD2 PHE A 18 29.146 -5.366 1.241 1.00 0.00 C ATOM 298 CE1 PHE A 18 29.347 -3.151 2.943 1.00 0.00 C ATOM 299 CE2 PHE A 18 30.327 -5.138 1.956 1.00 0.00 C ATOM 300 CZ PHE A 18 30.428 -4.030 2.808 1.00 0.00 C ATOM 0 H PHE A 18 25.582 -2.550 0.749 1.00 0.00 H new ATOM 0 HA PHE A 18 27.746 -3.523 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 18 25.927 -4.588 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.761 -5.759 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.331 -2.701 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.068 -6.221 0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 18 29.424 -2.297 3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.161 -5.816 1.851 1.00 0.00 H new ATOM 0 HZ PHE A 18 31.339 -3.854 3.360 1.00 0.00 H new ATOM 310 N ALA A 19 24.668 -4.228 -1.766 1.00 0.00 N ATOM 311 CA ALA A 19 23.838 -4.807 -2.863 1.00 0.00 C ATOM 312 C ALA A 19 24.295 -4.234 -4.207 1.00 0.00 C ATOM 313 O ALA A 19 24.573 -4.954 -5.146 1.00 0.00 O ATOM 314 CB ALA A 19 22.378 -4.423 -2.628 1.00 0.00 C ATOM 0 H ALA A 19 24.145 -3.702 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 19 23.946 -5.892 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.760 -4.840 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 19 22.048 -4.818 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 19 22.283 -3.337 -2.626 1.00 0.00 H new ATOM 320 N ALA A 20 24.365 -2.935 -4.291 1.00 0.00 N ATOM 321 CA ALA A 20 24.798 -2.265 -5.555 1.00 0.00 C ATOM 322 C ALA A 20 26.217 -2.696 -5.919 1.00 0.00 C ATOM 323 O ALA A 20 26.505 -3.038 -7.047 1.00 0.00 O ATOM 324 CB ALA A 20 24.793 -0.756 -5.336 1.00 0.00 C ATOM 0 H ALA A 20 24.138 -2.298 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 20 24.117 -2.543 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 20 25.107 -0.254 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 20 23.787 -0.430 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 20 25.481 -0.503 -4.529 1.00 0.00 H new ATOM 330 N LEU A 21 27.099 -2.652 -4.964 1.00 0.00 N ATOM 331 CA LEU A 21 28.527 -3.032 -5.207 1.00 0.00 C ATOM 332 C LEU A 21 28.690 -4.563 -5.278 1.00 0.00 C ATOM 333 O LEU A 21 29.769 -5.053 -5.517 1.00 0.00 O ATOM 334 CB LEU A 21 29.378 -2.489 -4.054 1.00 0.00 C ATOM 335 CG LEU A 21 30.595 -1.736 -4.606 1.00 0.00 C ATOM 336 CD1 LEU A 21 30.897 -0.526 -3.721 1.00 0.00 C ATOM 337 CD2 LEU A 21 31.809 -2.667 -4.619 1.00 0.00 C ATOM 0 H LEU A 21 26.893 -2.365 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 21 28.848 -2.610 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 21 28.780 -1.823 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 21 29.707 -3.310 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 21 30.380 -1.400 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 21 31.762 0.007 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 21 30.035 0.141 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.110 -0.862 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.674 -2.132 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.020 -3.004 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 21 31.599 -3.530 -5.251 1.00 0.00 H new ATOM 349 N SER A 22 27.634 -5.311 -5.061 1.00 0.00 N ATOM 350 CA SER A 22 27.706 -6.819 -5.097 1.00 0.00 C ATOM 351 C SER A 22 28.596 -7.357 -6.246 1.00 0.00 C ATOM 352 O SER A 22 29.461 -8.174 -6.000 1.00 0.00 O ATOM 353 CB SER A 22 26.295 -7.384 -5.261 1.00 0.00 C ATOM 354 OG SER A 22 25.671 -7.465 -3.987 1.00 0.00 O ATOM 0 H SER A 22 26.706 -4.939 -4.856 1.00 0.00 H new ATOM 0 HA SER A 22 28.157 -7.140 -4.158 1.00 0.00 H new ATOM 0 HB2 SER A 22 25.711 -6.747 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 22 26.337 -8.371 -5.722 1.00 0.00 H new ATOM 0 HG SER A 22 25.928 -6.689 -3.447 1.00 0.00 H new ATOM 360 N PRO A 23 28.369 -6.908 -7.463 1.00 0.00 N ATOM 361 CA PRO A 23 29.137 -7.336 -8.692 1.00 0.00 C ATOM 362 C PRO A 23 30.554 -6.780 -8.651 1.00 0.00 C ATOM 363 O PRO A 23 31.525 -7.506 -8.719 1.00 0.00 O ATOM 364 CB PRO A 23 28.384 -6.769 -9.882 1.00 0.00 C ATOM 365 CG PRO A 23 27.580 -5.606 -9.363 1.00 0.00 C ATOM 366 CD PRO A 23 27.334 -5.887 -7.886 1.00 0.00 C ATOM 0 HA PRO A 23 29.215 -8.422 -8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 23 29.075 -6.446 -10.661 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.734 -7.523 -10.325 1.00 0.00 H new ATOM 0 HG2 PRO A 23 28.120 -4.669 -9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 23 26.638 -5.511 -9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 23 27.426 -4.974 -7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.325 -6.268 -7.727 1.00 0.00 H new ATOM 374 N ALA A 24 30.666 -5.490 -8.541 1.00 0.00 N ATOM 375 CA ALA A 24 32.012 -4.823 -8.490 1.00 0.00 C ATOM 376 C ALA A 24 32.945 -5.534 -7.490 1.00 0.00 C ATOM 377 O ALA A 24 34.153 -5.498 -7.627 1.00 0.00 O ATOM 378 CB ALA A 24 31.827 -3.370 -8.053 1.00 0.00 C ATOM 0 H ALA A 24 29.874 -4.850 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 24 32.464 -4.873 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 24 32.798 -2.876 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 24 31.187 -2.854 -8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 24 31.365 -3.343 -7.066 1.00 0.00 H new ATOM 384 N ILE A 25 32.389 -6.177 -6.493 1.00 0.00 N ATOM 385 CA ILE A 25 33.231 -6.892 -5.486 1.00 0.00 C ATOM 386 C ILE A 25 33.727 -8.213 -6.090 1.00 0.00 C ATOM 387 O ILE A 25 34.886 -8.562 -5.968 1.00 0.00 O ATOM 388 CB ILE A 25 32.399 -7.171 -4.224 1.00 0.00 C ATOM 389 CG1 ILE A 25 31.897 -5.846 -3.642 1.00 0.00 C ATOM 390 CG2 ILE A 25 33.256 -7.889 -3.172 1.00 0.00 C ATOM 391 CD1 ILE A 25 30.615 -6.094 -2.845 1.00 0.00 C ATOM 0 H ILE A 25 31.383 -6.237 -6.333 1.00 0.00 H new ATOM 0 HA ILE A 25 34.087 -6.274 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 25 31.554 -7.805 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.659 -5.407 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 25 31.707 -5.133 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 25 32.655 -8.081 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.615 -8.834 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.107 -7.262 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 25 30.257 -5.152 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 25 29.854 -6.514 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 25 30.820 -6.793 -2.034 1.00 0.00 H new ATOM 403 N THR A 26 32.857 -8.947 -6.742 1.00 0.00 N ATOM 404 CA THR A 26 33.274 -10.243 -7.358 1.00 0.00 C ATOM 405 C THR A 26 34.180 -9.957 -8.557 1.00 0.00 C ATOM 406 O THR A 26 35.367 -10.225 -8.527 1.00 0.00 O ATOM 407 CB THR A 26 32.032 -11.013 -7.820 1.00 0.00 C ATOM 408 OG1 THR A 26 31.141 -11.168 -6.725 1.00 0.00 O ATOM 409 CG2 THR A 26 32.445 -12.391 -8.343 1.00 0.00 C ATOM 0 H THR A 26 31.875 -8.703 -6.873 1.00 0.00 H new ATOM 0 HA THR A 26 33.815 -10.843 -6.626 1.00 0.00 H new ATOM 0 HB THR A 26 31.537 -10.459 -8.618 1.00 0.00 H new ATOM 0 HG1 THR A 26 30.345 -11.659 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 26 31.560 -12.936 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 26 33.129 -12.271 -9.183 1.00 0.00 H new ATOM 0 HG23 THR A 26 32.941 -12.948 -7.548 1.00 0.00 H new