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+ -131:sc= -0.353 (180deg=-1.65!) USER MOD Single : A 10 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.6!) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 9 -19.078 -2.093 -0.226 1.00 0.00 N ATOM 133 CA LYS A 9 -18.260 -2.797 -1.207 1.00 0.00 C ATOM 134 C LYS A 9 -17.036 -1.971 -1.586 1.00 0.00 C ATOM 135 O LYS A 9 -15.951 -2.512 -1.802 1.00 0.00 O ATOM 136 CB LYS A 9 -19.084 -3.118 -2.455 1.00 0.00 C ATOM 137 CG LYS A 9 -18.922 -4.549 -2.940 1.00 0.00 C ATOM 138 CD LYS A 9 -17.464 -4.892 -3.191 1.00 0.00 C ATOM 139 CE LYS A 9 -17.316 -6.252 -3.854 1.00 0.00 C ATOM 140 NZ LYS A 9 -16.214 -7.050 -3.246 1.00 0.00 N ATOM 0 HA LYS A 9 -17.920 -3.730 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -20.137 -2.932 -2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.795 -2.437 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.335 -5.234 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -19.493 -4.690 -3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.013 -4.127 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.920 -4.886 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.253 -6.802 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.123 -6.118 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.604 -7.429 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.652 -6.442 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.617 -7.837 -2.698 1.00 0.00 H new ATOM 154 N GLN A 10 -17.216 -0.657 -1.661 1.00 0.00 N ATOM 155 CA GLN A 10 -16.126 0.245 -2.009 1.00 0.00 C ATOM 156 C GLN A 10 -15.143 0.368 -0.851 1.00 0.00 C ATOM 157 O GLN A 10 -13.930 0.424 -1.055 1.00 0.00 O ATOM 158 CB GLN A 10 -16.673 1.624 -2.385 1.00 0.00 C ATOM 159 CG GLN A 10 -16.159 2.138 -3.720 1.00 0.00 C ATOM 160 CD GLN A 10 -17.229 2.853 -4.522 1.00 0.00 C ATOM 161 OE1 GLN A 10 -18.280 3.213 -3.991 1.00 0.00 O ATOM 162 NE2 GLN A 10 -16.967 3.062 -5.806 1.00 0.00 N ATOM 0 H GLN A 10 -18.107 -0.193 -1.485 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.600 -0.169 -2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.762 1.578 -2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.408 2.336 -1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -15.325 2.818 -3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.772 1.302 -4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.082 2.746 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.650 3.538 -6.395 1.00 0.00 H new ATOM 171 N ALA A 11 -15.676 0.403 0.365 1.00 0.00 N ATOM 172 CA ALA A 11 -14.847 0.511 1.557 1.00 0.00 C ATOM 173 C ALA A 11 -14.066 -0.775 1.788 1.00 0.00 C ATOM 174 O ALA A 11 -12.933 -0.748 2.272 1.00 0.00 O ATOM 175 CB ALA A 11 -15.706 0.838 2.771 1.00 0.00 C ATOM 0 H ALA A 11 -16.678 0.358 0.550 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.133 1.321 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.073 0.916 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.220 1.785 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -16.441 0.047 2.920 1.00 0.00 H new ATOM 181 N GLY A 12 -14.675 -1.900 1.428 1.00 0.00 N ATOM 182 CA GLY A 12 -14.020 -3.182 1.595 1.00 0.00 C ATOM 183 C GLY A 12 -12.832 -3.339 0.668 1.00 0.00 C ATOM 184 O GLY A 12 -11.831 -3.958 1.029 1.00 0.00 O ATOM 0 H GLY A 12 -15.610 -1.946 1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.690 -3.288 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.736 -3.982 1.405 1.00 0.00 H new ATOM 188 N LYS A 13 -12.942 -2.771 -0.528 1.00 0.00 N ATOM 189 CA LYS A 13 -11.869 -2.844 -1.511 1.00 0.00 C ATOM 190 C LYS A 13 -10.635 -2.098 -1.011 1.00 0.00 C ATOM 191 O LYS A 13 -9.507 -2.556 -1.187 1.00 0.00 O ATOM 192 CB LYS A 13 -12.332 -2.260 -2.849 1.00 0.00 C ATOM 193 CG LYS A 13 -12.120 -3.197 -4.027 1.00 0.00 C ATOM 194 CD LYS A 13 -12.829 -4.527 -3.817 1.00 0.00 C ATOM 195 CE LYS A 13 -14.058 -4.647 -4.707 1.00 0.00 C ATOM 196 NZ LYS A 13 -13.781 -5.453 -5.928 1.00 0.00 N ATOM 0 H LYS A 13 -13.765 -2.255 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.607 -3.892 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.391 -2.010 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.796 -1.329 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.489 -2.727 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.053 -3.371 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.142 -5.345 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.124 -4.623 -2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.870 -5.107 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.395 -3.652 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.642 -5.512 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.023 -5.001 -6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.484 -6.411 -5.652 1.00 0.00 H new ATOM 210 N VAL A 14 -10.861 -0.947 -0.386 1.00 0.00 N ATOM 211 CA VAL A 14 -9.778 -0.139 0.145 1.00 0.00 C ATOM 212 C VAL A 14 -8.971 -0.917 1.177 1.00 0.00 C ATOM 213 O VAL A 14 -7.754 -0.762 1.275 1.00 0.00 O ATOM 214 CB VAL A 14 -10.312 1.155 0.790 1.00 0.00 C ATOM 215 CG1 VAL A 14 -9.181 2.138 1.004 1.00 0.00 C ATOM 216 CG2 VAL A 14 -11.408 1.775 -0.066 1.00 0.00 C ATOM 0 H VAL A 14 -11.791 -0.555 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.132 0.122 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.744 0.904 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.571 3.048 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.433 1.695 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.723 2.380 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.769 2.687 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.009 2.014 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.232 1.069 -0.170 1.00 0.00 H new ATOM 226 N ILE A 15 -9.659 -1.758 1.941 1.00 0.00 N ATOM 227 CA ILE A 15 -9.011 -2.568 2.963 1.00 0.00 C ATOM 228 C ILE A 15 -8.125 -3.632 2.324 1.00 0.00 C ATOM 229 O ILE A 15 -7.013 -3.888 2.785 1.00 0.00 O ATOM 230 CB ILE A 15 -10.041 -3.254 3.880 1.00 0.00 C ATOM 231 CG1 ILE A 15 -11.031 -2.227 4.432 1.00 0.00 C ATOM 232 CG2 ILE A 15 -9.340 -3.982 5.017 1.00 0.00 C ATOM 233 CD1 ILE A 15 -12.263 -2.848 5.051 1.00 0.00 C ATOM 0 H ILE A 15 -10.667 -1.896 1.871 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.400 -1.895 3.565 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.594 -3.986 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.528 -1.615 5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.336 -1.559 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.083 -4.461 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.672 -4.739 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.763 -3.268 5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.920 -2.061 5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.790 -3.437 4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.968 -3.494 5.878 1.00 0.00 H new ATOM 245 N GLY A 16 -8.626 -4.245 1.257 1.00 0.00 N ATOM 246 CA GLY A 16 -7.865 -5.271 0.567 1.00 0.00 C ATOM 247 C GLY A 16 -6.641 -4.707 -0.124 1.00 0.00 C ATOM 248 O GLY A 16 -5.636 -5.398 -0.288 1.00 0.00 O ATOM 0 H GLY A 16 -9.544 -4.050 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.557 -6.035 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.503 -5.761 -0.169 1.00 0.00 H new ATOM 252 N LYS A 17 -6.727 -3.441 -0.531 1.00 0.00 N ATOM 253 CA LYS A 17 -5.614 -2.782 -1.204 1.00 0.00 C ATOM 254 C LYS A 17 -4.374 -2.781 -0.321 1.00 0.00 C ATOM 255 O LYS A 17 -3.255 -2.948 -0.802 1.00 0.00 O ATOM 256 CB LYS A 17 -5.995 -1.347 -1.579 1.00 0.00 C ATOM 257 CG LYS A 17 -5.311 -0.846 -2.838 1.00 0.00 C ATOM 258 CD LYS A 17 -6.113 0.258 -3.506 1.00 0.00 C ATOM 259 CE LYS A 17 -5.546 1.632 -3.183 1.00 0.00 C ATOM 260 NZ LYS A 17 -6.381 2.727 -3.753 1.00 0.00 N ATOM 0 H LYS A 17 -7.553 -2.855 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.388 -3.337 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.075 -1.291 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.743 -0.685 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.316 -0.475 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.178 -1.673 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.112 0.107 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.151 0.205 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.479 1.752 -2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.532 1.707 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.960 3.647 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.424 2.628 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.342 2.671 -3.360 1.00 0.00 H new ATOM 274 N GLY A 18 -4.587 -2.602 0.978 1.00 0.00 N ATOM 275 CA GLY A 18 -3.479 -2.592 1.914 1.00 0.00 C ATOM 276 C GLY A 18 -2.848 -3.962 2.054 1.00 0.00 C ATOM 277 O GLY A 18 -1.626 -4.086 2.141 1.00 0.00 O ATOM 0 H GLY A 18 -5.506 -2.464 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.727 -1.878 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.830 -2.252 2.888 1.00 0.00 H new ATOM 281 N LEU A 19 -3.685 -4.994 2.070 1.00 0.00 N ATOM 282 CA LEU A 19 -3.204 -6.364 2.190 1.00 0.00 C ATOM 283 C LEU A 19 -2.367 -6.742 0.974 1.00 0.00 C ATOM 284 O LEU A 19 -1.408 -7.507 1.080 1.00 0.00 O ATOM 285 CB LEU A 19 -4.384 -7.330 2.343 1.00 0.00 C ATOM 286 CG LEU A 19 -4.333 -8.223 3.583 1.00 0.00 C ATOM 287 CD1 LEU A 19 -5.558 -9.121 3.645 1.00 0.00 C ATOM 288 CD2 LEU A 19 -3.059 -9.056 3.588 1.00 0.00 C ATOM 0 H LEU A 19 -4.699 -4.907 2.001 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.577 -6.435 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.307 -6.751 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.431 -7.965 1.458 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.330 -7.585 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.504 -9.749 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.457 -8.507 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.592 -9.752 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.039 -9.686 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.032 -9.685 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.192 -8.395 3.592 1.00 0.00 H new ATOM 300 N ARG A 20 -2.734 -6.194 -0.180 1.00 0.00 N ATOM 301 CA ARG A 20 -2.015 -6.465 -1.418 1.00 0.00 C ATOM 302 C ARG A 20 -0.652 -5.781 -1.403 1.00 0.00 C ATOM 303 O ARG A 20 0.330 -6.316 -1.919 1.00 0.00 O ATOM 304 CB ARG A 20 -2.831 -5.991 -2.623 1.00 0.00 C ATOM 305 CG ARG A 20 -3.012 -7.056 -3.692 1.00 0.00 C ATOM 306 CD ARG A 20 -1.804 -7.138 -4.613 1.00 0.00 C ATOM 307 NE ARG A 20 -1.160 -8.447 -4.554 1.00 0.00 N ATOM 308 CZ ARG A 20 -1.633 -9.536 -5.157 1.00 0.00 C ATOM 309 NH1 ARG A 20 -2.751 -9.476 -5.869 1.00 0.00 N ATOM 310 NH2 ARG A 20 -0.986 -10.688 -5.050 1.00 0.00 N ATOM 0 H ARG A 20 -3.526 -5.559 -0.283 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.864 -7.541 -1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.812 -5.662 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.340 -5.124 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.175 -8.024 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.903 -6.835 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.114 -6.932 -5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.085 -6.367 -4.337 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.296 -8.532 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.253 -8.592 -5.957 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.108 -10.313 -6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.125 -10.741 -4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.349 -11.522 -5.512 1.00 0.00 H new ATOM 324 N ALA A 21 -0.602 -4.598 -0.801 1.00 0.00 N ATOM 325 CA ALA A 21 0.639 -3.840 -0.710 1.00 0.00 C ATOM 326 C ALA A 21 1.631 -4.535 0.212 1.00 0.00 C ATOM 327 O ALA A 21 2.822 -4.616 -0.087 1.00 0.00 O ATOM 328 CB ALA A 21 0.360 -2.427 -0.219 1.00 0.00 C ATOM 0 H ALA A 21 -1.407 -4.144 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 21 1.080 -3.785 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.296 -1.872 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.312 -1.926 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.104 -2.469 0.766 1.00 0.00 H new ATOM 334 N ILE A 22 1.127 -5.043 1.331 1.00 0.00 N ATOM 335 CA ILE A 22 1.965 -5.741 2.298 1.00 0.00 C ATOM 336 C ILE A 22 2.507 -7.037 1.704 1.00 0.00 C ATOM 337 O ILE A 22 3.610 -7.468 2.033 1.00 0.00 O ATOM 338 CB ILE A 22 1.190 -6.061 3.591 1.00 0.00 C ATOM 339 CG1 ILE A 22 0.530 -4.795 4.143 1.00 0.00 C ATOM 340 CG2 ILE A 22 2.119 -6.673 4.628 1.00 0.00 C ATOM 341 CD1 ILE A 22 -0.733 -5.065 4.931 1.00 0.00 C ATOM 0 H ILE A 22 0.142 -4.984 1.591 1.00 0.00 H new ATOM 0 HA ILE A 22 2.794 -5.077 2.543 1.00 0.00 H new ATOM 0 HB ILE A 22 0.409 -6.785 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.242 -4.273 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.296 -4.127 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.557 -6.893 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.547 -7.595 4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.920 -5.970 4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.146 -4.123 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.463 -5.559 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.502 -5.708 5.780 1.00 0.00 H new ATOM 353 N ASN A 23 1.721 -7.649 0.823 1.00 0.00 N ATOM 354 CA ASN A 23 2.124 -8.891 0.176 1.00 0.00 C ATOM 355 C ASN A 23 3.241 -8.633 -0.829 1.00 0.00 C ATOM 356 O ASN A 23 4.245 -9.344 -0.854 1.00 0.00 O ATOM 357 CB ASN A 23 0.928 -9.538 -0.526 1.00 0.00 C ATOM 358 CG ASN A 23 0.947 -11.050 -0.423 1.00 0.00 C ATOM 359 OD1 ASN A 23 1.776 -11.715 -1.046 1.00 0.00 O ATOM 360 ND2 ASN A 23 0.032 -11.602 0.364 1.00 0.00 N ATOM 0 H ASN A 23 0.803 -7.305 0.542 1.00 0.00 H new ATOM 0 HA ASN A 23 2.494 -9.572 0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.004 -9.158 -0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.926 -9.248 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.004 -12.616 0.471 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.635 -11.013 0.861 1.00 0.00 H new ATOM 367 N ILE A 24 3.058 -7.607 -1.653 1.00 0.00 N ATOM 368 CA ILE A 24 4.050 -7.246 -2.655 1.00 0.00 C ATOM 369 C ILE A 24 5.288 -6.639 -2.004 1.00 0.00 C ATOM 370 O ILE A 24 6.387 -6.704 -2.554 1.00 0.00 O ATOM 371 CB ILE A 24 3.479 -6.243 -3.678 1.00 0.00 C ATOM 372 CG1 ILE A 24 2.156 -6.759 -4.248 1.00 0.00 C ATOM 373 CG2 ILE A 24 4.481 -5.994 -4.796 1.00 0.00 C ATOM 374 CD1 ILE A 24 1.258 -5.663 -4.779 1.00 0.00 C ATOM 0 H ILE A 24 2.230 -7.011 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 24 4.325 -8.164 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 24 3.291 -5.298 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.367 -7.466 -5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.625 -7.308 -3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.062 -5.284 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.401 -5.587 -4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.699 -6.933 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.339 -6.102 -5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.017 -4.968 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.770 -5.128 -5.579 1.00 0.00 H new