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= -0.252 K(o=-0.25,f=-2.2!) 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=-0.00855 X(o=-0.0086,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 9 -18.438 0.014 0.688 1.00 0.00 N ATOM 133 CA LYS A 9 -18.136 -1.132 -0.164 1.00 0.00 C ATOM 134 C LYS A 9 -16.696 -1.073 -0.666 1.00 0.00 C ATOM 135 O LYS A 9 -16.041 -2.104 -0.820 1.00 0.00 O ATOM 136 CB LYS A 9 -19.105 -1.179 -1.350 1.00 0.00 C ATOM 137 CG LYS A 9 -20.005 -2.403 -1.350 1.00 0.00 C ATOM 138 CD LYS A 9 -20.714 -2.575 -2.684 1.00 0.00 C ATOM 139 CE LYS A 9 -21.871 -3.554 -2.577 1.00 0.00 C ATOM 140 NZ LYS A 9 -23.034 -3.131 -3.403 1.00 0.00 N ATOM 0 HA LYS A 9 -18.255 -2.038 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -19.725 -0.282 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.533 -1.159 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.412 -3.292 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -20.744 -2.313 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -21.084 -1.609 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.004 -2.929 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -21.540 -4.543 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -22.178 -3.640 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -23.802 -3.825 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -23.366 -2.199 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -22.748 -3.073 -4.401 1.00 0.00 H new ATOM 154 N GLN A 10 -16.211 0.137 -0.915 1.00 0.00 N ATOM 155 CA GLN A 10 -14.849 0.330 -1.394 1.00 0.00 C ATOM 156 C GLN A 10 -13.838 -0.067 -0.322 1.00 0.00 C ATOM 157 O GLN A 10 -12.756 -0.567 -0.630 1.00 0.00 O ATOM 158 CB GLN A 10 -14.628 1.788 -1.808 1.00 0.00 C ATOM 159 CG GLN A 10 -13.847 1.941 -3.102 1.00 0.00 C ATOM 160 CD GLN A 10 -12.660 2.873 -2.963 1.00 0.00 C ATOM 161 OE1 GLN A 10 -12.184 3.128 -1.855 1.00 0.00 O ATOM 162 NE2 GLN A 10 -12.176 3.388 -4.086 1.00 0.00 N ATOM 0 H GLN A 10 -16.741 1.000 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.702 -0.310 -2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.596 2.277 -1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.098 2.307 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.498 0.961 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.511 2.319 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.602 3.149 -4.982 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.378 4.023 -4.054 1.00 0.00 H new ATOM 171 N ALA A 11 -14.205 0.155 0.937 1.00 0.00 N ATOM 172 CA ALA A 11 -13.332 -0.183 2.054 1.00 0.00 C ATOM 173 C ALA A 11 -13.066 -1.682 2.098 1.00 0.00 C ATOM 174 O ALA A 11 -11.946 -2.118 2.366 1.00 0.00 O ATOM 175 CB ALA A 11 -13.945 0.286 3.364 1.00 0.00 C ATOM 0 H ALA A 11 -15.098 0.566 1.208 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.380 0.328 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.282 0.027 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.083 1.367 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.910 -0.199 3.508 1.00 0.00 H new ATOM 181 N GLY A 12 -14.103 -2.466 1.829 1.00 0.00 N ATOM 182 CA GLY A 12 -13.964 -3.909 1.834 1.00 0.00 C ATOM 183 C GLY A 12 -13.089 -4.401 0.699 1.00 0.00 C ATOM 184 O GLY A 12 -12.425 -5.430 0.817 1.00 0.00 O ATOM 0 H GLY A 12 -15.039 -2.127 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.537 -4.228 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.950 -4.368 1.757 1.00 0.00 H new ATOM 188 N LYS A 13 -13.089 -3.660 -0.405 1.00 0.00 N ATOM 189 CA LYS A 13 -12.288 -4.018 -1.567 1.00 0.00 C ATOM 190 C LYS A 13 -10.805 -3.818 -1.278 1.00 0.00 C ATOM 191 O LYS A 13 -9.967 -4.618 -1.694 1.00 0.00 O ATOM 192 CB LYS A 13 -12.707 -3.181 -2.777 1.00 0.00 C ATOM 193 CG LYS A 13 -13.617 -3.920 -3.743 1.00 0.00 C ATOM 194 CD LYS A 13 -15.039 -4.004 -3.211 1.00 0.00 C ATOM 195 CE LYS A 13 -16.038 -4.264 -4.328 1.00 0.00 C ATOM 196 NZ LYS A 13 -17.130 -5.176 -3.895 1.00 0.00 N ATOM 0 H LYS A 13 -13.636 -2.807 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.458 -5.071 -1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.215 -2.282 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.814 -2.855 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.617 -3.411 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.230 -4.925 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.105 -4.801 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.294 -3.074 -2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.466 -3.318 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.521 -4.698 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.789 -5.328 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.725 -6.088 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.640 -4.751 -3.095 1.00 0.00 H new ATOM 210 N VAL A 14 -10.489 -2.747 -0.558 1.00 0.00 N ATOM 211 CA VAL A 14 -9.113 -2.440 -0.206 1.00 0.00 C ATOM 212 C VAL A 14 -8.486 -3.581 0.588 1.00 0.00 C ATOM 213 O VAL A 14 -7.273 -3.789 0.542 1.00 0.00 O ATOM 214 CB VAL A 14 -9.028 -1.144 0.620 1.00 0.00 C ATOM 215 CG1 VAL A 14 -7.597 -0.655 0.682 1.00 0.00 C ATOM 216 CG2 VAL A 14 -9.937 -0.070 0.041 1.00 0.00 C ATOM 0 H VAL A 14 -11.172 -2.076 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.564 -2.306 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.367 -1.360 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.551 0.262 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.972 -1.416 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.236 -0.458 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.859 0.836 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.636 0.148 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.968 -0.423 0.049 1.00 0.00 H new ATOM 226 N ILE A 15 -9.322 -4.318 1.314 1.00 0.00 N ATOM 227 CA ILE A 15 -8.851 -5.441 2.115 1.00 0.00 C ATOM 228 C ILE A 15 -8.180 -6.490 1.233 1.00 0.00 C ATOM 229 O ILE A 15 -7.141 -7.043 1.593 1.00 0.00 O ATOM 230 CB ILE A 15 -10.007 -6.098 2.897 1.00 0.00 C ATOM 231 CG1 ILE A 15 -10.758 -5.047 3.717 1.00 0.00 C ATOM 232 CG2 ILE A 15 -9.477 -7.203 3.803 1.00 0.00 C ATOM 233 CD1 ILE A 15 -11.941 -5.605 4.477 1.00 0.00 C ATOM 0 H ILE A 15 -10.328 -4.157 1.363 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.125 -5.048 2.827 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.701 -6.542 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.067 -4.587 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.105 -4.257 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.306 -7.656 4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.981 -7.963 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.764 -6.782 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.425 -4.804 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.653 -6.039 3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.599 -6.374 5.169 1.00 0.00 H new ATOM 245 N GLY A 16 -8.779 -6.753 0.077 1.00 0.00 N ATOM 246 CA GLY A 16 -8.221 -7.731 -0.839 1.00 0.00 C ATOM 247 C GLY A 16 -6.976 -7.220 -1.533 1.00 0.00 C ATOM 248 O GLY A 16 -5.927 -7.864 -1.496 1.00 0.00 O ATOM 0 H GLY A 16 -9.639 -6.308 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.982 -8.643 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.969 -7.994 -1.586 1.00 0.00 H new ATOM 252 N LYS A 17 -7.090 -6.057 -2.166 1.00 0.00 N ATOM 253 CA LYS A 17 -5.962 -5.457 -2.866 1.00 0.00 C ATOM 254 C LYS A 17 -4.809 -5.206 -1.904 1.00 0.00 C ATOM 255 O LYS A 17 -3.641 -5.334 -2.268 1.00 0.00 O ATOM 256 CB LYS A 17 -6.382 -4.147 -3.536 1.00 0.00 C ATOM 257 CG LYS A 17 -5.576 -3.812 -4.781 1.00 0.00 C ATOM 258 CD LYS A 17 -6.476 -3.501 -5.966 1.00 0.00 C ATOM 259 CE LYS A 17 -6.968 -4.772 -6.644 1.00 0.00 C ATOM 260 NZ LYS A 17 -6.794 -4.714 -8.121 1.00 0.00 N ATOM 0 H LYS A 17 -7.951 -5.512 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.629 -6.153 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.437 -4.207 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.280 -3.333 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.932 -2.956 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.924 -4.650 -5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.330 -2.913 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.932 -2.891 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.424 -5.629 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.021 -4.926 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.141 -5.597 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.333 -3.911 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.786 -4.593 -8.347 1.00 0.00 H new ATOM 274 N GLY A 18 -5.149 -4.855 -0.670 1.00 0.00 N ATOM 275 CA GLY A 18 -4.134 -4.601 0.333 1.00 0.00 C ATOM 276 C GLY A 18 -3.459 -5.876 0.790 1.00 0.00 C ATOM 277 O GLY A 18 -2.261 -5.887 1.074 1.00 0.00 O ATOM 0 H GLY A 18 -6.110 -4.742 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.386 -3.920 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.587 -4.103 1.190 1.00 0.00 H new ATOM 281 N LEU A 19 -4.228 -6.958 0.855 1.00 0.00 N ATOM 282 CA LEU A 19 -3.698 -8.248 1.274 1.00 0.00 C ATOM 283 C LEU A 19 -2.772 -8.818 0.203 1.00 0.00 C ATOM 284 O LEU A 19 -1.749 -9.428 0.513 1.00 0.00 O ATOM 285 CB LEU A 19 -4.841 -9.228 1.560 1.00 0.00 C ATOM 286 CG LEU A 19 -5.159 -9.433 3.041 1.00 0.00 C ATOM 287 CD1 LEU A 19 -6.531 -10.069 3.209 1.00 0.00 C ATOM 288 CD2 LEU A 19 -4.088 -10.288 3.702 1.00 0.00 C ATOM 0 H LEU A 19 -5.221 -6.966 0.622 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.124 -8.103 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.740 -8.872 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.591 -10.193 1.120 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.171 -8.459 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.740 -10.207 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.289 -9.420 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.548 -11.036 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.330 -10.424 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.045 -11.260 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.121 -9.793 3.613 1.00 0.00 H new ATOM 300 N ARG A 20 -3.139 -8.609 -1.057 1.00 0.00 N ATOM 301 CA ARG A 20 -2.338 -9.095 -2.174 1.00 0.00 C ATOM 302 C ARG A 20 -1.057 -8.279 -2.316 1.00 0.00 C ATOM 303 O ARG A 20 -0.037 -8.782 -2.787 1.00 0.00 O ATOM 304 CB ARG A 20 -3.144 -9.032 -3.474 1.00 0.00 C ATOM 305 CG ARG A 20 -2.875 -10.198 -4.412 1.00 0.00 C ATOM 306 CD ARG A 20 -3.845 -11.341 -4.171 1.00 0.00 C ATOM 307 NE ARG A 20 -4.118 -12.095 -5.392 1.00 0.00 N ATOM 308 CZ ARG A 20 -4.962 -11.695 -6.339 1.00 0.00 C ATOM 309 NH1 ARG A 20 -5.617 -10.547 -6.212 1.00 0.00 N ATOM 310 NH2 ARG A 20 -5.151 -12.442 -7.417 1.00 0.00 N ATOM 0 H ARG A 20 -3.984 -8.107 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.069 -10.132 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.207 -9.008 -3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.913 -8.100 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.957 -9.861 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.853 -10.551 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.435 -12.011 -3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.779 -10.945 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.632 -12.982 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.474 -9.967 -5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.263 -10.245 -6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.649 -13.324 -7.521 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.798 -12.135 -8.143 1.00 0.00 H new ATOM 324 N ALA A 21 -1.116 -7.017 -1.900 1.00 0.00 N ATOM 325 CA ALA A 21 0.039 -6.132 -1.977 1.00 0.00 C ATOM 326 C ALA A 21 1.058 -6.470 -0.898 1.00 0.00 C ATOM 327 O ALA A 21 2.264 -6.463 -1.144 1.00 0.00 O ATOM 328 CB ALA A 21 -0.399 -4.679 -1.861 1.00 0.00 C ATOM 0 H ALA A 21 -1.952 -6.586 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 21 0.515 -6.277 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.475 -4.030 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.085 -4.440 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.901 -4.525 -0.906 1.00 0.00 H new ATOM 334 N ILE A 22 0.566 -6.768 0.299 1.00 0.00 N ATOM 335 CA ILE A 22 1.435 -7.114 1.416 1.00 0.00 C ATOM 336 C ILE A 22 2.113 -8.460 1.177 1.00 0.00 C ATOM 337 O ILE A 22 3.234 -8.693 1.633 1.00 0.00 O ATOM 338 CB ILE A 22 0.653 -7.167 2.745 1.00 0.00 C ATOM 339 CG1 ILE A 22 -0.103 -5.855 2.968 1.00 0.00 C ATOM 340 CG2 ILE A 22 1.595 -7.444 3.910 1.00 0.00 C ATOM 341 CD1 ILE A 22 -1.426 -6.035 3.680 1.00 0.00 C ATOM 0 H ILE A 22 -0.430 -6.777 0.520 1.00 0.00 H new ATOM 0 HA ILE A 22 2.193 -6.334 1.487 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.070 -7.980 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.524 -5.178 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.280 -5.378 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.025 -7.478 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.094 -8.401 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.341 -6.652 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.907 -5.065 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.071 -6.687 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.254 -6.483 4.659 1.00 0.00 H new ATOM 353 N ASN A 23 1.429 -9.339 0.452 1.00 0.00 N ATOM 354 CA ASN A 23 1.968 -10.660 0.149 1.00 0.00 C ATOM 355 C ASN A 23 3.170 -10.550 -0.786 1.00 0.00 C ATOM 356 O ASN A 23 4.130 -11.310 -0.668 1.00 0.00 O ATOM 357 CB ASN A 23 0.888 -11.537 -0.492 1.00 0.00 C ATOM 358 CG ASN A 23 0.911 -12.959 0.035 1.00 0.00 C ATOM 359 OD1 ASN A 23 1.972 -13.508 0.326 1.00 0.00 O ATOM 360 ND2 ASN A 23 -0.266 -13.561 0.163 1.00 0.00 N ATOM 0 H ASN A 23 0.503 -9.161 0.064 1.00 0.00 H new ATOM 0 HA ASN A 23 2.294 -11.119 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.092 -11.098 -0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.029 -11.550 -1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.314 -14.517 0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.122 -13.067 -0.091 1.00 0.00 H new ATOM 367 N ILE A 24 3.107 -9.596 -1.710 1.00 0.00 N ATOM 368 CA ILE A 24 4.189 -9.382 -2.663 1.00 0.00 C ATOM 369 C ILE A 24 5.164 -8.323 -2.160 1.00 0.00 C ATOM 370 O ILE A 24 6.345 -8.336 -2.510 1.00 0.00 O ATOM 371 CB ILE A 24 3.647 -8.954 -4.040 1.00 0.00 C ATOM 372 CG1 ILE A 24 2.520 -9.887 -4.484 1.00 0.00 C ATOM 373 CG2 ILE A 24 4.768 -8.940 -5.070 1.00 0.00 C ATOM 374 CD1 ILE A 24 1.889 -9.490 -5.799 1.00 0.00 C ATOM 0 H ILE A 24 2.318 -8.959 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 24 4.713 -10.332 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 24 3.244 -7.945 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.911 -10.901 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.750 -9.906 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.369 -8.636 -6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.540 -8.236 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.199 -9.938 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.098 -10.196 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.467 -8.489 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.646 -9.498 -6.583 1.00 0.00 H new