USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 138 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 9 -18.398 -2.258 -1.524 1.00 0.00 N ATOM 133 CA LYS A 9 -17.361 -2.542 -2.509 1.00 0.00 C ATOM 134 C LYS A 9 -16.190 -1.581 -2.356 1.00 0.00 C ATOM 135 O LYS A 9 -15.028 -1.981 -2.443 1.00 0.00 O ATOM 136 CB LYS A 9 -17.932 -2.448 -3.927 1.00 0.00 C ATOM 137 CG LYS A 9 -16.921 -2.774 -5.013 1.00 0.00 C ATOM 138 CD LYS A 9 -17.137 -1.917 -6.250 1.00 0.00 C ATOM 139 CE LYS A 9 -16.048 -2.147 -7.285 1.00 0.00 C ATOM 140 NZ LYS A 9 -14.920 -1.188 -7.127 1.00 0.00 N ATOM 0 HA LYS A 9 -17.001 -3.556 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.779 -3.129 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.315 -1.440 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.912 -2.617 -4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.000 -3.828 -5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.109 -2.145 -6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.154 -0.865 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.673 -3.167 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.471 -2.049 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.199 -1.378 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.273 -0.216 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.500 -1.299 -6.182 1.00 0.00 H new ATOM 154 N GLN A 10 -16.502 -0.312 -2.123 1.00 0.00 N ATOM 155 CA GLN A 10 -15.475 0.707 -1.950 1.00 0.00 C ATOM 156 C GLN A 10 -14.770 0.536 -0.610 1.00 0.00 C ATOM 157 O GLN A 10 -13.564 0.756 -0.499 1.00 0.00 O ATOM 158 CB GLN A 10 -16.091 2.105 -2.043 1.00 0.00 C ATOM 159 CG GLN A 10 -15.060 3.219 -2.139 1.00 0.00 C ATOM 160 CD GLN A 10 -15.690 4.598 -2.120 1.00 0.00 C ATOM 161 OE1 GLN A 10 -16.033 5.124 -1.064 1.00 0.00 O ATOM 162 NE2 GLN A 10 -15.844 5.192 -3.300 1.00 0.00 N ATOM 0 H GLN A 10 -17.458 0.036 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.741 0.591 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -16.743 2.148 -2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.718 2.276 -1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.358 3.132 -1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.485 3.099 -3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.545 4.718 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.261 6.121 -3.353 1.00 0.00 H new ATOM 171 N ALA A 11 -15.530 0.133 0.402 1.00 0.00 N ATOM 172 CA ALA A 11 -14.980 -0.078 1.733 1.00 0.00 C ATOM 173 C ALA A 11 -14.140 -1.348 1.773 1.00 0.00 C ATOM 174 O ALA A 11 -13.127 -1.415 2.467 1.00 0.00 O ATOM 175 CB ALA A 11 -16.097 -0.144 2.765 1.00 0.00 C ATOM 0 H ALA A 11 -16.530 -0.054 0.324 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.334 0.766 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.669 -0.302 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.656 0.792 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -16.767 -0.969 2.524 1.00 0.00 H new ATOM 181 N GLY A 12 -14.565 -2.351 1.013 1.00 0.00 N ATOM 182 CA GLY A 12 -13.839 -3.605 0.966 1.00 0.00 C ATOM 183 C GLY A 12 -12.526 -3.472 0.221 1.00 0.00 C ATOM 184 O GLY A 12 -11.586 -4.227 0.466 1.00 0.00 O ATOM 0 H GLY A 12 -15.400 -2.317 0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.646 -3.951 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.455 -4.363 0.483 1.00 0.00 H new ATOM 188 N LYS A 13 -12.463 -2.505 -0.687 1.00 0.00 N ATOM 189 CA LYS A 13 -11.257 -2.266 -1.469 1.00 0.00 C ATOM 190 C LYS A 13 -10.177 -1.616 -0.608 1.00 0.00 C ATOM 191 O LYS A 13 -9.002 -1.974 -0.694 1.00 0.00 O ATOM 192 CB LYS A 13 -11.575 -1.379 -2.676 1.00 0.00 C ATOM 193 CG LYS A 13 -11.436 -2.094 -4.009 1.00 0.00 C ATOM 194 CD LYS A 13 -12.320 -3.329 -4.073 1.00 0.00 C ATOM 195 CE LYS A 13 -12.490 -3.820 -5.503 1.00 0.00 C ATOM 196 NZ LYS A 13 -13.637 -4.759 -5.637 1.00 0.00 N ATOM 0 H LYS A 13 -13.235 -1.873 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.883 -3.226 -1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.593 -1.001 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.911 -0.514 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.701 -1.413 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.396 -2.381 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.884 -4.121 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.297 -3.101 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.641 -2.966 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.575 -4.316 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.718 -5.070 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.482 -5.586 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.514 -4.278 -5.352 1.00 0.00 H new ATOM 210 N VAL A 14 -10.586 -0.662 0.222 1.00 0.00 N ATOM 211 CA VAL A 14 -9.662 0.035 1.099 1.00 0.00 C ATOM 212 C VAL A 14 -8.991 -0.933 2.067 1.00 0.00 C ATOM 213 O VAL A 14 -7.806 -0.801 2.374 1.00 0.00 O ATOM 214 CB VAL A 14 -10.379 1.135 1.904 1.00 0.00 C ATOM 215 CG1 VAL A 14 -9.365 2.081 2.514 1.00 0.00 C ATOM 216 CG2 VAL A 14 -11.363 1.895 1.023 1.00 0.00 C ATOM 0 H VAL A 14 -11.556 -0.356 0.303 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.904 0.494 0.465 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.943 0.664 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.884 2.854 3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.704 1.526 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.777 2.544 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.858 2.667 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.827 2.359 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.109 1.204 0.631 1.00 0.00 H new ATOM 226 N ILE A 15 -9.757 -1.911 2.539 1.00 0.00 N ATOM 227 CA ILE A 15 -9.237 -2.906 3.466 1.00 0.00 C ATOM 228 C ILE A 15 -8.269 -3.847 2.762 1.00 0.00 C ATOM 229 O ILE A 15 -7.264 -4.268 3.337 1.00 0.00 O ATOM 230 CB ILE A 15 -10.373 -3.730 4.103 1.00 0.00 C ATOM 231 CG1 ILE A 15 -11.439 -2.804 4.691 1.00 0.00 C ATOM 232 CG2 ILE A 15 -9.818 -4.656 5.177 1.00 0.00 C ATOM 233 CD1 ILE A 15 -12.770 -3.485 4.919 1.00 0.00 C ATOM 0 H ILE A 15 -10.739 -2.035 2.294 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.710 -2.367 4.254 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.837 -4.340 3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.078 -2.403 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.583 -1.957 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.632 -5.231 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.093 -5.337 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.331 -4.064 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.478 -2.769 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.153 -3.862 3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.640 -4.315 5.614 1.00 0.00 H new ATOM 245 N GLY A 16 -8.576 -4.173 1.511 1.00 0.00 N ATOM 246 CA GLY A 16 -7.721 -5.059 0.745 1.00 0.00 C ATOM 247 C GLY A 16 -6.409 -4.404 0.368 1.00 0.00 C ATOM 248 O GLY A 16 -5.394 -5.080 0.206 1.00 0.00 O ATOM 0 H GLY A 16 -9.402 -3.839 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.522 -5.960 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.242 -5.371 -0.160 1.00 0.00 H new ATOM 252 N LYS A 17 -6.428 -3.079 0.231 1.00 0.00 N ATOM 253 CA LYS A 17 -5.227 -2.331 -0.122 1.00 0.00 C ATOM 254 C LYS A 17 -4.123 -2.576 0.897 1.00 0.00 C ATOM 255 O LYS A 17 -2.948 -2.682 0.544 1.00 0.00 O ATOM 256 CB LYS A 17 -5.539 -0.836 -0.212 1.00 0.00 C ATOM 257 CG LYS A 17 -4.541 -0.056 -1.053 1.00 0.00 C ATOM 258 CD LYS A 17 -3.247 0.193 -0.296 1.00 0.00 C ATOM 259 CE LYS A 17 -2.511 1.407 -0.836 1.00 0.00 C ATOM 260 NZ LYS A 17 -2.787 2.626 -0.027 1.00 0.00 N ATOM 0 H LYS A 17 -7.261 -2.504 0.359 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.882 -2.678 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.536 -0.706 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.560 -0.416 0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.327 -0.607 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.980 0.897 -1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.465 0.339 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.606 -0.685 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.439 1.209 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.808 1.582 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.267 3.433 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.807 2.829 -0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.480 2.468 0.954 1.00 0.00 H new ATOM 274 N GLY A 18 -4.511 -2.674 2.163 1.00 0.00 N ATOM 275 CA GLY A 18 -3.545 -2.917 3.218 1.00 0.00 C ATOM 276 C GLY A 18 -2.971 -4.316 3.151 1.00 0.00 C ATOM 277 O GLY A 18 -1.773 -4.515 3.346 1.00 0.00 O ATOM 0 H GLY A 18 -5.477 -2.590 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.737 -2.190 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.021 -2.767 4.187 1.00 0.00 H new ATOM 281 N LEU A 19 -3.831 -5.291 2.867 1.00 0.00 N ATOM 282 CA LEU A 19 -3.401 -6.679 2.765 1.00 0.00 C ATOM 283 C LEU A 19 -2.541 -6.881 1.525 1.00 0.00 C ATOM 284 O LEU A 19 -1.610 -7.686 1.525 1.00 0.00 O ATOM 285 CB LEU A 19 -4.616 -7.610 2.723 1.00 0.00 C ATOM 286 CG LEU A 19 -5.014 -8.217 4.069 1.00 0.00 C ATOM 287 CD1 LEU A 19 -6.513 -8.467 4.121 1.00 0.00 C ATOM 288 CD2 LEU A 19 -4.247 -9.508 4.318 1.00 0.00 C ATOM 0 H LEU A 19 -4.827 -5.144 2.704 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.804 -6.921 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.466 -7.055 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.410 -8.420 2.023 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.758 -7.507 4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.777 -8.899 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.044 -7.524 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.795 -9.157 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.542 -9.927 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.472 -10.223 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.177 -9.300 4.326 1.00 0.00 H new ATOM 300 N ARG A 20 -2.857 -6.138 0.468 1.00 0.00 N ATOM 301 CA ARG A 20 -2.111 -6.230 -0.778 1.00 0.00 C ATOM 302 C ARG A 20 -0.747 -5.561 -0.633 1.00 0.00 C ATOM 303 O ARG A 20 0.231 -5.982 -1.251 1.00 0.00 O ATOM 304 CB ARG A 20 -2.898 -5.575 -1.919 1.00 0.00 C ATOM 305 CG ARG A 20 -3.449 -6.572 -2.926 1.00 0.00 C ATOM 306 CD ARG A 20 -3.540 -5.968 -4.318 1.00 0.00 C ATOM 307 NE ARG A 20 -2.522 -6.507 -5.216 1.00 0.00 N ATOM 308 CZ ARG A 20 -2.472 -6.249 -6.523 1.00 0.00 C ATOM 309 NH1 ARG A 20 -3.381 -5.460 -7.084 1.00 0.00 N ATOM 310 NH2 ARG A 20 -1.512 -6.780 -7.266 1.00 0.00 N ATOM 0 H ARG A 20 -3.625 -5.467 0.452 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.961 -7.284 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.724 -5.002 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.251 -4.868 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.810 -7.454 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.437 -6.904 -2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.529 -6.162 -4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.429 -4.886 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.807 -7.117 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.121 -5.049 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.339 -5.265 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.812 -7.386 -6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.473 -6.583 -8.266 1.00 0.00 H new ATOM 324 N ALA A 21 -0.689 -4.522 0.194 1.00 0.00 N ATOM 325 CA ALA A 21 0.554 -3.799 0.427 1.00 0.00 C ATOM 326 C ALA A 21 1.513 -4.625 1.272 1.00 0.00 C ATOM 327 O ALA A 21 2.710 -4.678 0.998 1.00 0.00 O ATOM 328 CB ALA A 21 0.271 -2.463 1.097 1.00 0.00 C ATOM 0 H ALA A 21 -1.490 -4.162 0.714 1.00 0.00 H new ATOM 0 HA ALA A 21 1.026 -3.613 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.209 -1.934 1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.374 -1.863 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.225 -2.633 2.052 1.00 0.00 H new ATOM 334 N ILE A 22 0.974 -5.276 2.297 1.00 0.00 N ATOM 335 CA ILE A 22 1.781 -6.108 3.179 1.00 0.00 C ATOM 336 C ILE A 22 2.331 -7.319 2.431 1.00 0.00 C ATOM 337 O ILE A 22 3.406 -7.822 2.748 1.00 0.00 O ATOM 338 CB ILE A 22 0.968 -6.591 4.397 1.00 0.00 C ATOM 339 CG1 ILE A 22 0.317 -5.404 5.108 1.00 0.00 C ATOM 340 CG2 ILE A 22 1.860 -7.368 5.358 1.00 0.00 C ATOM 341 CD1 ILE A 22 -1.040 -5.722 5.695 1.00 0.00 C ATOM 0 H ILE A 22 -0.017 -5.243 2.537 1.00 0.00 H new ATOM 0 HA ILE A 22 2.609 -5.493 3.530 1.00 0.00 H new ATOM 0 HB ILE A 22 0.179 -7.257 4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.977 -5.061 5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.215 -4.580 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.271 -7.702 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.279 -8.234 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.669 -6.725 5.704 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.442 -4.835 6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.716 -6.036 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.941 -6.525 6.425 1.00 0.00 H new ATOM 353 N ASN A 23 1.583 -7.776 1.430 1.00 0.00 N ATOM 354 CA ASN A 23 1.995 -8.924 0.632 1.00 0.00 C ATOM 355 C ASN A 23 3.137 -8.547 -0.304 1.00 0.00 C ATOM 356 O ASN A 23 4.137 -9.261 -0.396 1.00 0.00 O ATOM 357 CB ASN A 23 0.811 -9.459 -0.177 1.00 0.00 C ATOM 358 CG ASN A 23 0.749 -10.974 -0.180 1.00 0.00 C ATOM 359 OD1 ASN A 23 1.778 -11.649 -0.129 1.00 0.00 O ATOM 360 ND2 ASN A 23 -0.461 -11.518 -0.240 1.00 0.00 N ATOM 0 H ASN A 23 0.690 -7.368 1.154 1.00 0.00 H new ATOM 0 HA ASN A 23 2.344 -9.704 1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.116 -9.061 0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.884 -9.099 -1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.564 -12.533 -0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.287 -10.921 -0.281 1.00 0.00 H new ATOM 367 N ILE A 24 2.986 -7.421 -0.993 1.00 0.00 N ATOM 368 CA ILE A 24 4.005 -6.948 -1.919 1.00 0.00 C ATOM 369 C ILE A 24 5.252 -6.487 -1.170 1.00 0.00 C ATOM 370 O ILE A 24 6.362 -6.541 -1.701 1.00 0.00 O ATOM 371 CB ILE A 24 3.483 -5.789 -2.788 1.00 0.00 C ATOM 372 CG1 ILE A 24 2.156 -6.174 -3.446 1.00 0.00 C ATOM 373 CG2 ILE A 24 4.510 -5.411 -3.844 1.00 0.00 C ATOM 374 CD1 ILE A 24 1.274 -4.987 -3.767 1.00 0.00 C ATOM 0 H ILE A 24 2.165 -6.819 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 24 4.260 -7.787 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 24 3.314 -4.924 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.361 -6.723 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.615 -6.850 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.125 -4.590 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.435 -5.100 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.708 -6.271 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.351 -5.335 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.038 -4.450 -2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.797 -4.320 -4.453 1.00 0.00 H new