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= 0.0136 USER MOD Single : A 11 THR OG1 : rot 68:sc= 0.486 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 77:sc= 0.0412 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 34.820 -11.051 4.638 1.00 0.00 N ATOM 109 CA LEU A 7 33.869 -10.314 3.752 1.00 0.00 C ATOM 110 C LEU A 7 32.498 -10.165 4.430 1.00 0.00 C ATOM 111 O LEU A 7 31.669 -9.400 3.981 1.00 0.00 O ATOM 112 CB LEU A 7 33.699 -11.087 2.441 1.00 0.00 C ATOM 113 CG LEU A 7 32.842 -10.269 1.458 1.00 0.00 C ATOM 114 CD1 LEU A 7 33.647 -9.976 0.189 1.00 0.00 C ATOM 115 CD2 LEU A 7 31.584 -11.061 1.087 1.00 0.00 C ATOM 0 HA LEU A 7 34.273 -9.321 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 7 34.675 -11.294 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 7 33.226 -12.050 2.635 1.00 0.00 H new ATOM 0 HG LEU A 7 32.556 -9.330 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.036 -9.397 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 7 34.540 -9.407 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 7 33.938 -10.915 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 7 30.980 -10.479 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 7 31.872 -12.002 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 7 31.004 -11.266 1.987 1.00 0.00 H new ATOM 127 N SER A 8 32.242 -10.893 5.493 1.00 0.00 N ATOM 128 CA SER A 8 30.917 -10.791 6.180 1.00 0.00 C ATOM 129 C SER A 8 30.668 -9.350 6.638 1.00 0.00 C ATOM 130 O SER A 8 29.592 -8.809 6.454 1.00 0.00 O ATOM 131 CB SER A 8 30.905 -11.721 7.393 1.00 0.00 C ATOM 132 OG SER A 8 31.522 -12.953 7.042 1.00 0.00 O ATOM 0 H SER A 8 32.896 -11.554 5.913 1.00 0.00 H new ATOM 0 HA SER A 8 30.130 -11.081 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 8 31.435 -11.259 8.226 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.881 -11.894 7.724 1.00 0.00 H new ATOM 0 HG SER A 8 31.519 -13.553 7.817 1.00 0.00 H new ATOM 138 N ASP A 9 31.653 -8.728 7.229 1.00 0.00 N ATOM 139 CA ASP A 9 31.481 -7.320 7.699 1.00 0.00 C ATOM 140 C ASP A 9 31.230 -6.413 6.490 1.00 0.00 C ATOM 141 O ASP A 9 30.348 -5.572 6.504 1.00 0.00 O ATOM 142 CB ASP A 9 32.746 -6.866 8.431 1.00 0.00 C ATOM 143 CG ASP A 9 32.494 -5.510 9.093 1.00 0.00 C ATOM 144 OD1 ASP A 9 31.924 -5.496 10.171 1.00 0.00 O ATOM 145 OD2 ASP A 9 32.876 -4.510 8.509 1.00 0.00 O ATOM 0 H ASP A 9 32.572 -9.134 7.407 1.00 0.00 H new ATOM 0 HA ASP A 9 30.633 -7.262 8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 9 33.028 -7.603 9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 9 33.578 -6.792 7.730 1.00 0.00 H new ATOM 150 N ILE A 10 31.992 -6.589 5.439 1.00 0.00 N ATOM 151 CA ILE A 10 31.796 -5.753 4.219 1.00 0.00 C ATOM 152 C ILE A 10 30.395 -6.007 3.645 1.00 0.00 C ATOM 153 O ILE A 10 29.852 -5.182 2.936 1.00 0.00 O ATOM 154 CB ILE A 10 32.861 -6.116 3.174 1.00 0.00 C ATOM 155 CG1 ILE A 10 34.266 -5.945 3.778 1.00 0.00 C ATOM 156 CG2 ILE A 10 32.717 -5.208 1.947 1.00 0.00 C ATOM 157 CD1 ILE A 10 34.473 -4.498 4.248 1.00 0.00 C ATOM 0 H ILE A 10 32.742 -7.277 5.375 1.00 0.00 H new ATOM 0 HA ILE A 10 31.892 -4.699 4.478 1.00 0.00 H new ATOM 0 HB ILE A 10 32.722 -7.154 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.394 -6.629 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 10 35.022 -6.205 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 10 33.475 -5.470 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 10 31.726 -5.339 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 10 32.847 -4.168 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 10 35.471 -4.393 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 10 34.366 -3.821 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.729 -4.251 5.005 1.00 0.00 H new ATOM 169 N THR A 11 29.805 -7.138 3.952 1.00 0.00 N ATOM 170 CA THR A 11 28.440 -7.443 3.432 1.00 0.00 C ATOM 171 C THR A 11 27.431 -6.505 4.092 1.00 0.00 C ATOM 172 O THR A 11 26.543 -5.986 3.446 1.00 0.00 O ATOM 173 CB THR A 11 28.081 -8.894 3.762 1.00 0.00 C ATOM 174 OG1 THR A 11 29.195 -9.730 3.491 1.00 0.00 O ATOM 175 CG2 THR A 11 26.890 -9.339 2.911 1.00 0.00 C ATOM 0 H THR A 11 30.214 -7.863 4.542 1.00 0.00 H new ATOM 0 HA THR A 11 28.419 -7.303 2.351 1.00 0.00 H new ATOM 0 HB THR A 11 27.817 -8.968 4.817 1.00 0.00 H new ATOM 0 HG1 THR A 11 29.916 -9.529 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.638 -10.372 3.149 1.00 0.00 H new ATOM 0 HG22 THR A 11 26.033 -8.699 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 11 27.149 -9.263 1.855 1.00 0.00 H new ATOM 183 N ASP A 12 27.566 -6.281 5.376 1.00 0.00 N ATOM 184 CA ASP A 12 26.622 -5.369 6.086 1.00 0.00 C ATOM 185 C ASP A 12 26.760 -3.957 5.514 1.00 0.00 C ATOM 186 O ASP A 12 25.817 -3.188 5.498 1.00 0.00 O ATOM 187 CB ASP A 12 26.959 -5.342 7.578 1.00 0.00 C ATOM 188 CG ASP A 12 26.121 -6.388 8.314 1.00 0.00 C ATOM 189 OD1 ASP A 12 26.171 -7.542 7.920 1.00 0.00 O ATOM 190 OD2 ASP A 12 25.444 -6.019 9.260 1.00 0.00 O ATOM 0 H ASP A 12 28.292 -6.692 5.963 1.00 0.00 H new ATOM 0 HA ASP A 12 25.601 -5.726 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 12 28.020 -5.543 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 12 26.763 -4.351 7.987 1.00 0.00 H new ATOM 195 N VAL A 13 27.934 -3.614 5.052 1.00 0.00 N ATOM 196 CA VAL A 13 28.154 -2.253 4.484 1.00 0.00 C ATOM 197 C VAL A 13 27.538 -2.159 3.085 1.00 0.00 C ATOM 198 O VAL A 13 27.216 -1.083 2.619 1.00 0.00 O ATOM 199 CB VAL A 13 29.653 -1.979 4.404 1.00 0.00 C ATOM 200 CG1 VAL A 13 29.891 -0.537 3.951 1.00 0.00 C ATOM 201 CG2 VAL A 13 30.282 -2.192 5.783 1.00 0.00 C ATOM 0 H VAL A 13 28.753 -4.222 5.044 1.00 0.00 H new ATOM 0 HA VAL A 13 27.678 -1.514 5.128 1.00 0.00 H new ATOM 0 HB VAL A 13 30.108 -2.661 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 13 30.963 -0.345 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 13 29.444 -0.386 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 13 29.437 0.149 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 13 31.353 -1.997 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.825 -1.510 6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.116 -3.221 6.103 1.00 0.00 H new ATOM 211 N ILE A 14 27.381 -3.270 2.410 1.00 0.00 N ATOM 212 CA ILE A 14 26.796 -3.244 1.038 1.00 0.00 C ATOM 213 C ILE A 14 25.264 -3.245 1.126 1.00 0.00 C ATOM 214 O ILE A 14 24.586 -2.698 0.275 1.00 0.00 O ATOM 215 CB ILE A 14 27.282 -4.473 0.262 1.00 0.00 C ATOM 216 CG1 ILE A 14 28.814 -4.492 0.251 1.00 0.00 C ATOM 217 CG2 ILE A 14 26.774 -4.411 -1.179 1.00 0.00 C ATOM 218 CD1 ILE A 14 29.315 -5.939 0.191 1.00 0.00 C ATOM 0 H ILE A 14 27.634 -4.197 2.753 1.00 0.00 H new ATOM 0 HA ILE A 14 27.115 -2.340 0.519 1.00 0.00 H new ATOM 0 HB ILE A 14 26.901 -5.374 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 14 29.188 -3.932 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 14 29.199 -4.001 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 14 27.123 -5.287 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 14 25.684 -4.393 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 14 27.153 -3.509 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 14 30.405 -5.947 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 14 28.954 -6.485 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 14 28.943 -6.416 -0.716 1.00 0.00 H new ATOM 230 N PHE A 15 24.718 -3.846 2.153 1.00 0.00 N ATOM 231 CA PHE A 15 23.237 -3.881 2.311 1.00 0.00 C ATOM 232 C PHE A 15 22.748 -2.479 2.674 1.00 0.00 C ATOM 233 O PHE A 15 21.710 -2.031 2.224 1.00 0.00 O ATOM 234 CB PHE A 15 22.881 -4.859 3.434 1.00 0.00 C ATOM 235 CG PHE A 15 21.616 -5.606 3.084 1.00 0.00 C ATOM 236 CD1 PHE A 15 21.630 -6.556 2.057 1.00 0.00 C ATOM 237 CD2 PHE A 15 20.431 -5.352 3.787 1.00 0.00 C ATOM 238 CE1 PHE A 15 20.461 -7.254 1.732 1.00 0.00 C ATOM 239 CE2 PHE A 15 19.261 -6.050 3.462 1.00 0.00 C ATOM 240 CZ PHE A 15 19.276 -7.001 2.434 1.00 0.00 C ATOM 0 H PHE A 15 25.240 -4.316 2.892 1.00 0.00 H new ATOM 0 HA PHE A 15 22.764 -4.205 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 15 23.699 -5.563 3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.747 -4.318 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.543 -6.751 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 15 20.420 -4.618 4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 15 20.473 -7.988 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.347 -5.855 4.004 1.00 0.00 H new ATOM 0 HZ PHE A 15 18.374 -7.539 2.183 1.00 0.00 H new ATOM 250 N ILE A 16 23.502 -1.789 3.487 1.00 0.00 N ATOM 251 CA ILE A 16 23.114 -0.412 3.900 1.00 0.00 C ATOM 252 C ILE A 16 23.404 0.557 2.750 1.00 0.00 C ATOM 253 O ILE A 16 22.700 1.521 2.535 1.00 0.00 O ATOM 254 CB ILE A 16 23.910 -0.037 5.169 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.161 1.061 5.929 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.335 0.444 4.839 1.00 0.00 C ATOM 257 CD1 ILE A 16 22.249 0.424 6.980 1.00 0.00 C ATOM 0 H ILE A 16 24.379 -2.125 3.886 1.00 0.00 H new ATOM 0 HA ILE A 16 22.049 -0.358 4.128 1.00 0.00 H new ATOM 0 HB ILE A 16 24.000 -0.933 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.871 1.735 6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.571 1.660 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.857 0.696 5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 16 25.876 -0.348 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.283 1.325 4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.716 1.206 7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.530 -0.232 6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.850 -0.156 7.680 1.00 0.00 H new ATOM 269 N TYR A 17 24.452 0.293 2.022 1.00 0.00 N ATOM 270 CA TYR A 17 24.838 1.174 0.872 1.00 0.00 C ATOM 271 C TYR A 17 23.643 1.366 -0.075 1.00 0.00 C ATOM 272 O TYR A 17 23.355 2.466 -0.508 1.00 0.00 O ATOM 273 CB TYR A 17 25.996 0.517 0.105 1.00 0.00 C ATOM 274 CG TYR A 17 27.067 1.540 -0.198 1.00 0.00 C ATOM 275 CD1 TYR A 17 27.009 2.281 -1.384 1.00 0.00 C ATOM 276 CD2 TYR A 17 28.119 1.743 0.704 1.00 0.00 C ATOM 277 CE1 TYR A 17 28.003 3.224 -1.670 1.00 0.00 C ATOM 278 CE2 TYR A 17 29.113 2.687 0.418 1.00 0.00 C ATOM 279 CZ TYR A 17 29.055 3.427 -0.769 1.00 0.00 C ATOM 280 OH TYR A 17 30.035 4.357 -1.051 1.00 0.00 O ATOM 0 H TYR A 17 25.069 -0.505 2.173 1.00 0.00 H new ATOM 0 HA TYR A 17 25.146 2.148 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 17 26.417 -0.297 0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 17 25.626 0.081 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 17 26.197 2.125 -2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.164 1.172 1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 17 27.958 3.795 -2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 17 29.924 2.844 1.113 1.00 0.00 H new ATOM 0 HH TYR A 17 30.690 4.374 -0.322 1.00 0.00 H new ATOM 290 N PHE A 18 22.956 0.300 -0.401 1.00 0.00 N ATOM 291 CA PHE A 18 21.786 0.409 -1.323 1.00 0.00 C ATOM 292 C PHE A 18 20.573 0.960 -0.563 1.00 0.00 C ATOM 293 O PHE A 18 19.718 1.613 -1.132 1.00 0.00 O ATOM 294 CB PHE A 18 21.457 -0.983 -1.886 1.00 0.00 C ATOM 295 CG PHE A 18 21.340 -0.915 -3.391 1.00 0.00 C ATOM 296 CD1 PHE A 18 22.477 -1.088 -4.189 1.00 0.00 C ATOM 297 CD2 PHE A 18 20.096 -0.678 -3.988 1.00 0.00 C ATOM 298 CE1 PHE A 18 22.371 -1.024 -5.583 1.00 0.00 C ATOM 299 CE2 PHE A 18 19.989 -0.614 -5.382 1.00 0.00 C ATOM 300 CZ PHE A 18 21.127 -0.786 -6.180 1.00 0.00 C ATOM 0 H PHE A 18 23.156 -0.643 -0.067 1.00 0.00 H new ATOM 0 HA PHE A 18 22.029 1.087 -2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 18 22.236 -1.692 -1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 18 20.524 -1.347 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 18 23.437 -1.271 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 18 19.219 -0.545 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 18 23.248 -1.158 -6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 18 19.029 -0.432 -5.842 1.00 0.00 H new ATOM 0 HZ PHE A 18 21.045 -0.735 -7.256 1.00 0.00 H new ATOM 310 N ALA A 19 20.491 0.694 0.716 1.00 0.00 N ATOM 311 CA ALA A 19 19.335 1.186 1.529 1.00 0.00 C ATOM 312 C ALA A 19 19.222 2.710 1.432 1.00 0.00 C ATOM 313 O ALA A 19 18.181 3.246 1.116 1.00 0.00 O ATOM 314 CB ALA A 19 19.554 0.805 2.993 1.00 0.00 C ATOM 0 H ALA A 19 21.181 0.153 1.237 1.00 0.00 H new ATOM 0 HA ALA A 19 18.420 0.733 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.715 1.161 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.628 -0.279 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.476 1.261 3.354 1.00 0.00 H new ATOM 320 N ALA A 20 20.288 3.398 1.727 1.00 0.00 N ATOM 321 CA ALA A 20 20.283 4.893 1.686 1.00 0.00 C ATOM 322 C ALA A 20 20.105 5.396 0.256 1.00 0.00 C ATOM 323 O ALA A 20 19.340 6.303 -0.008 1.00 0.00 O ATOM 324 CB ALA A 20 21.625 5.397 2.202 1.00 0.00 C ATOM 0 H ALA A 20 21.179 2.984 2.000 1.00 0.00 H new ATOM 0 HA ALA A 20 19.459 5.257 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 20 21.638 6.487 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.773 5.054 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 20 22.426 5.011 1.571 1.00 0.00 H new ATOM 330 N LEU A 21 20.845 4.838 -0.653 1.00 0.00 N ATOM 331 CA LEU A 21 20.773 5.287 -2.078 1.00 0.00 C ATOM 332 C LEU A 21 19.397 4.976 -2.695 1.00 0.00 C ATOM 333 O LEU A 21 19.068 5.482 -3.750 1.00 0.00 O ATOM 334 CB LEU A 21 21.860 4.572 -2.881 1.00 0.00 C ATOM 335 CG LEU A 21 23.170 5.356 -2.772 1.00 0.00 C ATOM 336 CD1 LEU A 21 24.356 4.392 -2.845 1.00 0.00 C ATOM 337 CD2 LEU A 21 23.261 6.360 -3.924 1.00 0.00 C ATOM 0 H LEU A 21 21.506 4.082 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 21 20.923 6.366 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 21 21.998 3.558 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 21 21.560 4.487 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 21 23.193 5.887 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 21 25.287 4.954 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.294 3.676 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.333 3.858 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 21 24.194 6.919 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 21 23.235 5.827 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 21 22.419 7.050 -3.872 1.00 0.00 H new ATOM 349 N SER A 22 18.597 4.149 -2.064 1.00 0.00 N ATOM 350 CA SER A 22 17.253 3.815 -2.641 1.00 0.00 C ATOM 351 C SER A 22 16.340 5.061 -2.619 1.00 0.00 C ATOM 352 O SER A 22 15.910 5.514 -3.661 1.00 0.00 O ATOM 353 CB SER A 22 16.625 2.664 -1.839 1.00 0.00 C ATOM 354 OG SER A 22 15.204 2.738 -1.905 1.00 0.00 O ATOM 0 H SER A 22 18.814 3.692 -1.178 1.00 0.00 H new ATOM 0 HA SER A 22 17.370 3.499 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.966 1.707 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.951 2.714 -0.800 1.00 0.00 H new ATOM 0 HG SER A 22 14.814 2.000 -1.392 1.00 0.00 H new ATOM 360 N PRO A 23 16.070 5.586 -1.442 1.00 0.00 N ATOM 361 CA PRO A 23 15.205 6.805 -1.212 1.00 0.00 C ATOM 362 C PRO A 23 15.895 8.059 -1.737 1.00 0.00 C ATOM 363 O PRO A 23 15.354 8.790 -2.537 1.00 0.00 O ATOM 364 CB PRO A 23 15.019 6.911 0.292 1.00 0.00 C ATOM 365 CG PRO A 23 16.170 6.168 0.913 1.00 0.00 C ATOM 366 CD PRO A 23 16.559 5.099 -0.097 1.00 0.00 C ATOM 0 HA PRO A 23 14.252 6.714 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.012 7.953 0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.066 6.478 0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 23 17.005 6.838 1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.881 5.722 1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.639 4.949 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 23 16.106 4.141 0.157 1.00 0.00 H new ATOM 374 N ALA A 24 17.082 8.312 -1.266 1.00 0.00 N ATOM 375 CA ALA A 24 17.853 9.530 -1.697 1.00 0.00 C ATOM 376 C ALA A 24 17.812 9.702 -3.225 1.00 0.00 C ATOM 377 O ALA A 24 17.890 10.804 -3.736 1.00 0.00 O ATOM 378 CB ALA A 24 19.310 9.388 -1.247 1.00 0.00 C ATOM 0 H ALA A 24 17.566 7.722 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 24 17.396 10.407 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.874 10.268 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 24 19.348 9.296 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 24 19.746 8.499 -1.702 1.00 0.00 H new ATOM 384 N ILE A 25 17.685 8.620 -3.950 1.00 0.00 N ATOM 385 CA ILE A 25 17.634 8.709 -5.439 1.00 0.00 C ATOM 386 C ILE A 25 16.203 9.079 -5.875 1.00 0.00 C ATOM 387 O ILE A 25 16.011 9.889 -6.763 1.00 0.00 O ATOM 388 CB ILE A 25 18.072 7.351 -6.035 1.00 0.00 C ATOM 389 CG1 ILE A 25 19.595 7.201 -5.876 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.708 7.251 -7.528 1.00 0.00 C ATOM 391 CD1 ILE A 25 20.330 8.307 -6.649 1.00 0.00 C ATOM 0 H ILE A 25 17.614 7.675 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 25 18.311 9.482 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 25 17.550 6.557 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.862 7.248 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 25 19.910 6.223 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 25 18.029 6.285 -7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 25 16.629 7.349 -7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 25 18.208 8.048 -8.079 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.406 8.184 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.077 8.241 -7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 25 20.029 9.281 -6.264 1.00 0.00 H new ATOM 403 N THR A 26 15.207 8.492 -5.260 1.00 0.00 N ATOM 404 CA THR A 26 13.796 8.807 -5.639 1.00 0.00 C ATOM 405 C THR A 26 13.429 10.212 -5.152 1.00 0.00 C ATOM 406 O THR A 26 13.251 11.123 -5.938 1.00 0.00 O ATOM 407 CB THR A 26 12.856 7.780 -4.999 1.00 0.00 C ATOM 408 OG1 THR A 26 13.280 6.470 -5.348 1.00 0.00 O ATOM 409 CG2 THR A 26 11.430 8.007 -5.502 1.00 0.00 C ATOM 0 H THR A 26 15.311 7.807 -4.511 1.00 0.00 H new ATOM 0 HA THR A 26 13.696 8.767 -6.724 1.00 0.00 H new ATOM 0 HB THR A 26 12.879 7.893 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 26 14.060 6.224 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.763 7.276 -5.046 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.105 9.012 -5.233 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.404 7.895 -6.586 1.00 0.00 H new