USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 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= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00366) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 9 -18.384 -3.015 -1.561 1.00 0.00 N ATOM 133 CA LYS A 9 -17.159 -3.025 -2.357 1.00 0.00 C ATOM 134 C LYS A 9 -16.233 -1.877 -1.960 1.00 0.00 C ATOM 135 O LYS A 9 -15.009 -2.003 -2.023 1.00 0.00 O ATOM 136 CB LYS A 9 -17.495 -2.929 -3.845 1.00 0.00 C ATOM 137 CG LYS A 9 -16.324 -3.264 -4.755 1.00 0.00 C ATOM 138 CD LYS A 9 -16.324 -2.398 -6.005 1.00 0.00 C ATOM 139 CE LYS A 9 -15.377 -1.218 -5.868 1.00 0.00 C ATOM 140 NZ LYS A 9 -15.852 -0.031 -6.629 1.00 0.00 N ATOM 0 HA LYS A 9 -16.642 -3.965 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.322 -3.604 -4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -17.840 -1.919 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.389 -3.123 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.372 -4.315 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.033 -3.000 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.334 -2.035 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.274 -0.956 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.387 -1.504 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.177 0.751 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.926 -0.272 -7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.785 0.259 -6.273 1.00 0.00 H new ATOM 154 N GLN A 10 -16.823 -0.759 -1.551 1.00 0.00 N ATOM 155 CA GLN A 10 -16.048 0.407 -1.143 1.00 0.00 C ATOM 156 C GLN A 10 -15.308 0.136 0.162 1.00 0.00 C ATOM 157 O GLN A 10 -14.118 0.422 0.286 1.00 0.00 O ATOM 158 CB GLN A 10 -16.958 1.626 -0.988 1.00 0.00 C ATOM 159 CG GLN A 10 -16.812 2.641 -2.112 1.00 0.00 C ATOM 160 CD GLN A 10 -16.623 4.057 -1.601 1.00 0.00 C ATOM 161 OE1 GLN A 10 -15.655 4.731 -1.950 1.00 0.00 O ATOM 162 NE2 GLN A 10 -17.550 4.513 -0.767 1.00 0.00 N ATOM 0 H GLN A 10 -17.834 -0.636 -1.493 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.312 0.614 -1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.995 1.292 -0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.739 2.114 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -15.961 2.367 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.697 2.603 -2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.337 3.919 -0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.476 5.457 -0.389 1.00 0.00 H new ATOM 171 N ALA A 11 -16.022 -0.423 1.128 1.00 0.00 N ATOM 172 CA ALA A 11 -15.436 -0.740 2.424 1.00 0.00 C ATOM 173 C ALA A 11 -14.414 -1.860 2.293 1.00 0.00 C ATOM 174 O ALA A 11 -13.408 -1.885 3.001 1.00 0.00 O ATOM 175 CB ALA A 11 -16.522 -1.123 3.419 1.00 0.00 C ATOM 0 H ALA A 11 -17.008 -0.667 1.040 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.924 0.148 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -16.067 -1.357 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.216 -0.291 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -17.061 -1.996 3.051 1.00 0.00 H new ATOM 181 N GLY A 12 -14.677 -2.786 1.376 1.00 0.00 N ATOM 182 CA GLY A 12 -13.769 -3.894 1.162 1.00 0.00 C ATOM 183 C GLY A 12 -12.482 -3.458 0.492 1.00 0.00 C ATOM 184 O GLY A 12 -11.436 -4.080 0.672 1.00 0.00 O ATOM 0 H GLY A 12 -15.503 -2.787 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.538 -4.362 2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.259 -4.649 0.547 1.00 0.00 H new ATOM 188 N LYS A 13 -12.558 -2.380 -0.283 1.00 0.00 N ATOM 189 CA LYS A 13 -11.391 -1.855 -0.981 1.00 0.00 C ATOM 190 C LYS A 13 -10.434 -1.184 -0.003 1.00 0.00 C ATOM 191 O LYS A 13 -9.216 -1.325 -0.113 1.00 0.00 O ATOM 192 CB LYS A 13 -11.821 -0.864 -2.065 1.00 0.00 C ATOM 193 CG LYS A 13 -11.449 -1.301 -3.473 1.00 0.00 C ATOM 194 CD LYS A 13 -12.233 -2.530 -3.900 1.00 0.00 C ATOM 195 CE LYS A 13 -11.934 -2.908 -5.342 1.00 0.00 C ATOM 196 NZ LYS A 13 -10.563 -3.469 -5.495 1.00 0.00 N ATOM 0 H LYS A 13 -13.417 -1.853 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.871 -2.689 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.901 -0.725 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.364 0.105 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.640 -0.486 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.381 -1.515 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.987 -3.366 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.300 -2.340 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.666 -3.639 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.040 -2.029 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.410 -3.746 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.862 -2.751 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.459 -4.303 -4.883 1.00 0.00 H new ATOM 210 N VAL A 14 -10.994 -0.452 0.958 1.00 0.00 N ATOM 211 CA VAL A 14 -10.192 0.239 1.954 1.00 0.00 C ATOM 212 C VAL A 14 -9.376 -0.746 2.778 1.00 0.00 C ATOM 213 O VAL A 14 -8.199 -0.514 3.057 1.00 0.00 O ATOM 214 CB VAL A 14 -11.078 1.074 2.896 1.00 0.00 C ATOM 215 CG1 VAL A 14 -10.231 2.064 3.668 1.00 0.00 C ATOM 216 CG2 VAL A 14 -12.172 1.794 2.121 1.00 0.00 C ATOM 0 H VAL A 14 -12.000 -0.325 1.064 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.515 0.904 1.418 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.559 0.398 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.868 2.649 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.490 1.526 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.724 2.731 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.783 2.376 2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.719 2.460 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.798 1.062 1.610 1.00 0.00 H new ATOM 226 N ILE A 15 -10.005 -1.850 3.159 1.00 0.00 N ATOM 227 CA ILE A 15 -9.338 -2.877 3.947 1.00 0.00 C ATOM 228 C ILE A 15 -8.329 -3.641 3.098 1.00 0.00 C ATOM 229 O ILE A 15 -7.302 -4.101 3.598 1.00 0.00 O ATOM 230 CB ILE A 15 -10.348 -3.874 4.546 1.00 0.00 C ATOM 231 CG1 ILE A 15 -11.471 -3.124 5.266 1.00 0.00 C ATOM 232 CG2 ILE A 15 -9.649 -4.832 5.499 1.00 0.00 C ATOM 233 CD1 ILE A 15 -12.577 -4.027 5.768 1.00 0.00 C ATOM 0 H ILE A 15 -10.978 -2.057 2.934 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.820 -2.369 4.760 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.785 -4.456 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.049 -2.577 6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.897 -2.385 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.377 -5.529 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.882 -5.387 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.187 -4.267 6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.338 -3.427 6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.026 -4.555 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.165 -4.750 6.472 1.00 0.00 H new ATOM 245 N GLY A 16 -8.628 -3.768 1.809 1.00 0.00 N ATOM 246 CA GLY A 16 -7.736 -4.473 0.908 1.00 0.00 C ATOM 247 C GLY A 16 -6.548 -3.627 0.497 1.00 0.00 C ATOM 248 O GLY A 16 -5.469 -4.151 0.228 1.00 0.00 O ATOM 0 H GLY A 16 -9.472 -3.395 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.381 -5.384 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.288 -4.777 0.019 1.00 0.00 H new ATOM 252 N LYS A 17 -6.747 -2.312 0.450 1.00 0.00 N ATOM 253 CA LYS A 17 -5.681 -1.394 0.071 1.00 0.00 C ATOM 254 C LYS A 17 -4.502 -1.514 1.030 1.00 0.00 C ATOM 255 O LYS A 17 -3.344 -1.434 0.622 1.00 0.00 O ATOM 256 CB LYS A 17 -6.197 0.046 0.054 1.00 0.00 C ATOM 257 CG LYS A 17 -5.312 1.002 -0.729 1.00 0.00 C ATOM 258 CD LYS A 17 -6.135 1.976 -1.557 1.00 0.00 C ATOM 259 CE LYS A 17 -5.635 3.404 -1.398 1.00 0.00 C ATOM 260 NZ LYS A 17 -6.226 4.315 -2.417 1.00 0.00 N ATOM 0 H LYS A 17 -7.635 -1.861 0.669 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.344 -1.659 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.199 0.059 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.285 0.404 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.676 1.557 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.652 0.434 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.092 1.689 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.181 1.920 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.882 3.766 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.548 3.420 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.861 5.278 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.969 3.984 -3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.261 4.320 -2.320 1.00 0.00 H new ATOM 274 N GLY A 18 -4.808 -1.710 2.307 1.00 0.00 N ATOM 275 CA GLY A 18 -3.765 -1.847 3.305 1.00 0.00 C ATOM 276 C GLY A 18 -2.982 -3.132 3.137 1.00 0.00 C ATOM 277 O GLY A 18 -1.768 -3.159 3.342 1.00 0.00 O ATOM 0 H GLY A 18 -5.759 -1.776 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.085 -0.997 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.210 -1.821 4.300 1.00 0.00 H new ATOM 281 N LEU A 19 -3.677 -4.200 2.757 1.00 0.00 N ATOM 282 CA LEU A 19 -3.040 -5.494 2.559 1.00 0.00 C ATOM 283 C LEU A 19 -2.118 -5.455 1.344 1.00 0.00 C ATOM 284 O LEU A 19 -1.038 -6.044 1.354 1.00 0.00 O ATOM 285 CB LEU A 19 -4.093 -6.586 2.381 1.00 0.00 C ATOM 286 CG LEU A 19 -4.649 -7.164 3.685 1.00 0.00 C ATOM 287 CD1 LEU A 19 -6.144 -7.415 3.565 1.00 0.00 C ATOM 288 CD2 LEU A 19 -3.919 -8.450 4.050 1.00 0.00 C ATOM 0 H LEU A 19 -4.682 -4.193 2.580 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.445 -5.721 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.920 -6.181 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.659 -7.397 1.797 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.487 -6.437 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.520 -7.826 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.654 -6.476 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.330 -8.123 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.326 -8.848 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.051 -9.182 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.857 -8.241 4.179 1.00 0.00 H new ATOM 300 N ARG A 20 -2.550 -4.751 0.303 1.00 0.00 N ATOM 301 CA ARG A 20 -1.758 -4.630 -0.914 1.00 0.00 C ATOM 302 C ARG A 20 -0.536 -3.752 -0.669 1.00 0.00 C ATOM 303 O ARG A 20 0.520 -3.960 -1.264 1.00 0.00 O ATOM 304 CB ARG A 20 -2.607 -4.046 -2.046 1.00 0.00 C ATOM 305 CG ARG A 20 -2.229 -4.574 -3.421 1.00 0.00 C ATOM 306 CD ARG A 20 -3.457 -4.955 -4.232 1.00 0.00 C ATOM 307 NE ARG A 20 -3.252 -6.188 -4.989 1.00 0.00 N ATOM 308 CZ ARG A 20 -4.222 -6.835 -5.632 1.00 0.00 C ATOM 309 NH1 ARG A 20 -5.463 -6.367 -5.615 1.00 0.00 N ATOM 310 NH2 ARG A 20 -3.948 -7.947 -6.296 1.00 0.00 N ATOM 0 H ARG A 20 -3.442 -4.257 0.278 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.421 -5.625 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.657 -4.270 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.507 -2.961 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.659 -3.816 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.580 -5.443 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.309 -5.077 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.704 -4.145 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.310 -6.576 -5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.677 -5.508 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.203 -6.866 -6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.994 -8.308 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.691 -8.443 -6.789 1.00 0.00 H new ATOM 324 N ALA A 21 -0.691 -2.770 0.214 1.00 0.00 N ATOM 325 CA ALA A 21 0.400 -1.862 0.544 1.00 0.00 C ATOM 326 C ALA A 21 1.490 -2.586 1.325 1.00 0.00 C ATOM 327 O ALA A 21 2.678 -2.395 1.071 1.00 0.00 O ATOM 328 CB ALA A 21 -0.125 -0.673 1.339 1.00 0.00 C ATOM 0 H ALA A 21 -1.561 -2.584 0.713 1.00 0.00 H new ATOM 0 HA ALA A 21 0.835 -1.496 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.700 -0.003 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.867 -0.138 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.585 -1.027 2.262 1.00 0.00 H new ATOM 334 N ILE A 22 1.076 -3.419 2.271 1.00 0.00 N ATOM 335 CA ILE A 22 2.018 -4.177 3.084 1.00 0.00 C ATOM 336 C ILE A 22 2.777 -5.189 2.232 1.00 0.00 C ATOM 337 O ILE A 22 3.912 -5.549 2.539 1.00 0.00 O ATOM 338 CB ILE A 22 1.305 -4.918 4.233 1.00 0.00 C ATOM 339 CG1 ILE A 22 0.434 -3.948 5.033 1.00 0.00 C ATOM 340 CG2 ILE A 22 2.323 -5.595 5.140 1.00 0.00 C ATOM 341 CD1 ILE A 22 -0.860 -4.563 5.521 1.00 0.00 C ATOM 0 H ILE A 22 0.095 -3.587 2.494 1.00 0.00 H new ATOM 0 HA ILE A 22 2.720 -3.461 3.511 1.00 0.00 H new ATOM 0 HB ILE A 22 0.661 -5.686 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.001 -3.585 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.204 -3.082 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.804 -6.114 5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.905 -6.313 4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.990 -4.844 5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.428 -3.820 6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.447 -4.901 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.638 -5.412 6.168 1.00 0.00 H new ATOM 353 N ASN A 23 2.141 -5.641 1.154 1.00 0.00 N ATOM 354 CA ASN A 23 2.753 -6.608 0.252 1.00 0.00 C ATOM 355 C ASN A 23 3.938 -5.989 -0.481 1.00 0.00 C ATOM 356 O ASN A 23 4.929 -6.664 -0.764 1.00 0.00 O ATOM 357 CB ASN A 23 1.720 -7.117 -0.757 1.00 0.00 C ATOM 358 CG ASN A 23 1.799 -8.617 -0.957 1.00 0.00 C ATOM 359 OD1 ASN A 23 1.254 -9.390 -0.168 1.00 0.00 O ATOM 360 ND2 ASN A 23 2.480 -9.039 -2.017 1.00 0.00 N ATOM 0 H ASN A 23 1.201 -5.351 0.885 1.00 0.00 H new ATOM 0 HA ASN A 23 3.115 -7.448 0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.720 -6.851 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.873 -6.617 -1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.567 -10.038 -2.203 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.916 -8.364 -2.645 1.00 0.00 H new ATOM 367 N ILE A 24 3.832 -4.699 -0.783 1.00 0.00 N ATOM 368 CA ILE A 24 4.895 -3.987 -1.481 1.00 0.00 C ATOM 369 C ILE A 24 6.176 -3.978 -0.657 1.00 0.00 C ATOM 370 O ILE A 24 7.263 -4.219 -1.177 1.00 0.00 O ATOM 371 CB ILE A 24 4.486 -2.533 -1.799 1.00 0.00 C ATOM 372 CG1 ILE A 24 3.155 -2.505 -2.552 1.00 0.00 C ATOM 373 CG2 ILE A 24 5.573 -1.838 -2.610 1.00 0.00 C ATOM 374 CD1 ILE A 24 2.589 -1.113 -2.725 1.00 0.00 C ATOM 0 H ILE A 24 3.020 -4.126 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 24 5.071 -4.516 -2.418 1.00 0.00 H new ATOM 0 HB ILE A 24 4.362 -1.996 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.293 -2.957 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.431 -3.119 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.268 -0.814 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.502 -1.828 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.728 -2.375 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.645 -1.169 -3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.419 -0.665 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.294 -0.501 -3.287 1.00 0.00 H new