USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 126 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.594 K(o=-0.59,f=-1.7) USER MOD Single : A 23 GLN : amide:sc= 0.165 K(o=0.17,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 0.967 18.656 10.259 1.00 0.00 N ATOM 81 CA LEU A 7 1.580 17.499 9.627 1.00 0.00 C ATOM 82 C LEU A 7 0.510 16.719 8.859 1.00 0.00 C ATOM 83 O LEU A 7 0.487 15.489 8.899 1.00 0.00 O ATOM 84 CB LEU A 7 2.331 16.658 10.662 1.00 0.00 C ATOM 85 CG LEU A 7 3.857 16.769 10.635 1.00 0.00 C ATOM 86 CD1 LEU A 7 4.479 16.066 11.843 1.00 0.00 C ATOM 87 CD2 LEU A 7 4.422 16.246 9.314 1.00 0.00 C ATOM 0 HA LEU A 7 2.330 17.813 8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.983 16.943 11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.060 15.612 10.518 1.00 0.00 H new ATOM 0 HG LEU A 7 4.124 17.824 10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.564 16.160 11.800 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.111 16.526 12.760 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.205 15.011 11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.508 16.337 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.146 15.199 9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.015 16.829 8.488 1.00 0.00 H new ATOM 98 N THR A 8 -0.347 17.465 8.180 1.00 0.00 N ATOM 99 CA THR A 8 -1.416 16.857 7.404 1.00 0.00 C ATOM 100 C THR A 8 -0.980 16.677 5.948 1.00 0.00 C ATOM 101 O THR A 8 -1.179 15.611 5.365 1.00 0.00 O ATOM 102 CB THR A 8 -2.665 17.726 7.561 1.00 0.00 C ATOM 103 OG1 THR A 8 -3.141 17.416 8.867 1.00 0.00 O ATOM 104 CG2 THR A 8 -3.803 17.287 6.637 1.00 0.00 C ATOM 0 H THR A 8 -0.324 18.484 8.150 1.00 0.00 H new ATOM 0 HA THR A 8 -1.650 15.856 7.767 1.00 0.00 H new ATOM 0 HB THR A 8 -2.412 18.766 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.950 17.938 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.665 17.936 6.788 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.476 17.354 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.080 16.257 6.864 1.00 0.00 H new ATOM 132 N HIS A 10 1.597 16.036 4.856 1.00 0.00 N ATOM 133 CA HIS A 10 2.492 14.894 4.771 1.00 0.00 C ATOM 134 C HIS A 10 1.674 13.604 4.697 1.00 0.00 C ATOM 135 O HIS A 10 2.179 12.568 4.269 1.00 0.00 O ATOM 136 CB HIS A 10 3.491 14.899 5.931 1.00 0.00 C ATOM 137 CG HIS A 10 4.934 14.785 5.500 1.00 0.00 C ATOM 138 ND1 HIS A 10 5.441 15.447 4.397 1.00 0.00 N ATOM 139 CD2 HIS A 10 5.970 14.081 6.038 1.00 0.00 C ATOM 140 CE1 HIS A 10 6.726 15.147 4.284 1.00 0.00 C ATOM 141 NE2 HIS A 10 7.053 14.299 5.301 1.00 0.00 N ATOM 0 HA HIS A 10 3.084 14.959 3.858 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.365 15.819 6.502 1.00 0.00 H new ATOM 0 HB3 HIS A 10 3.257 14.073 6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.919 13.453 6.915 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.398 15.510 3.520 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.976 13.899 5.468 1.00 0.00 H new ATOM 149 N LEU A 11 0.424 13.709 5.124 1.00 0.00 N ATOM 150 CA LEU A 11 -0.469 12.563 5.111 1.00 0.00 C ATOM 151 C LEU A 11 -0.718 12.131 3.665 1.00 0.00 C ATOM 152 O LEU A 11 -1.230 11.039 3.420 1.00 0.00 O ATOM 153 CB LEU A 11 -1.750 12.874 5.889 1.00 0.00 C ATOM 154 CG LEU A 11 -1.567 13.242 7.363 1.00 0.00 C ATOM 155 CD1 LEU A 11 -2.861 13.805 7.953 1.00 0.00 C ATOM 156 CD2 LEU A 11 -1.043 12.048 8.166 1.00 0.00 C ATOM 0 H LEU A 11 0.009 14.570 5.481 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.010 11.717 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.263 13.696 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.407 12.006 5.831 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.815 14.029 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.703 14.058 9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.152 14.700 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.651 13.058 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.922 12.337 9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.753 11.224 8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.081 11.733 7.763 1.00 0.00 H new ATOM 167 N LEU A 12 -0.345 13.009 2.746 1.00 0.00 N ATOM 168 CA LEU A 12 -0.520 12.731 1.331 1.00 0.00 C ATOM 169 C LEU A 12 0.488 11.667 0.895 1.00 0.00 C ATOM 170 O LEU A 12 1.696 11.896 0.937 1.00 0.00 O ATOM 171 CB LEU A 12 -0.439 14.025 0.517 1.00 0.00 C ATOM 172 CG LEU A 12 -1.705 14.886 0.498 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.525 14.625 -0.767 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.529 14.676 1.770 1.00 0.00 C ATOM 0 H LEU A 12 0.078 13.914 2.954 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.514 12.324 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.380 14.627 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.182 13.769 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.407 15.934 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.419 15.249 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.926 14.865 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.816 13.575 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.423 15.299 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.820 13.628 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.932 14.951 2.640 1.00 0.00 H new ATOM 185 N ARG A 13 -0.046 10.525 0.486 1.00 0.00 N ATOM 186 CA ARG A 13 0.792 9.423 0.043 1.00 0.00 C ATOM 187 C ARG A 13 1.162 8.527 1.227 1.00 0.00 C ATOM 188 O ARG A 13 1.485 7.354 1.045 1.00 0.00 O ATOM 189 CB ARG A 13 2.074 9.937 -0.617 1.00 0.00 C ATOM 190 CG ARG A 13 3.236 9.952 0.379 1.00 0.00 C ATOM 191 CD ARG A 13 4.272 11.011 -0.003 1.00 0.00 C ATOM 192 NE ARG A 13 4.196 12.154 0.932 1.00 0.00 N ATOM 193 CZ ARG A 13 5.042 13.193 0.920 1.00 0.00 C ATOM 194 NH1 ARG A 13 6.035 13.238 0.021 1.00 0.00 N ATOM 195 NH2 ARG A 13 4.897 14.187 1.807 1.00 0.00 N ATOM 0 H ARG A 13 -1.048 10.339 0.452 1.00 0.00 H new ATOM 0 HA ARG A 13 0.224 8.848 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.328 9.305 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.910 10.942 -1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.858 10.153 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.708 8.970 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.272 10.578 0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.096 11.353 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 13 3.453 12.151 1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.147 12.481 -0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.679 14.029 0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.142 14.153 2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.542 14.977 1.797 1.00 0.00 H new ATOM 206 N GLU A 14 1.101 9.114 2.413 1.00 0.00 N ATOM 207 CA GLU A 14 1.425 8.382 3.627 1.00 0.00 C ATOM 208 C GLU A 14 0.264 7.465 4.019 1.00 0.00 C ATOM 209 O GLU A 14 0.441 6.254 4.144 1.00 0.00 O ATOM 210 CB GLU A 14 1.776 9.341 4.767 1.00 0.00 C ATOM 211 CG GLU A 14 2.689 8.663 5.791 1.00 0.00 C ATOM 212 CD GLU A 14 2.199 8.922 7.218 1.00 0.00 C ATOM 213 OE1 GLU A 14 2.088 10.115 7.571 1.00 0.00 O ATOM 214 OE2 GLU A 14 1.948 7.920 7.922 1.00 0.00 O ATOM 0 H GLU A 14 0.832 10.087 2.560 1.00 0.00 H new ATOM 0 HA GLU A 14 2.301 7.763 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.269 10.226 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.863 9.680 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.720 7.590 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.707 9.036 5.679 1.00 0.00 H new ATOM 219 N VAL A 15 -0.896 8.077 4.202 1.00 0.00 N ATOM 220 CA VAL A 15 -2.084 7.331 4.578 1.00 0.00 C ATOM 221 C VAL A 15 -2.578 6.526 3.374 1.00 0.00 C ATOM 222 O VAL A 15 -2.859 5.334 3.492 1.00 0.00 O ATOM 223 CB VAL A 15 -3.145 8.282 5.137 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.458 7.543 5.404 1.00 0.00 C ATOM 225 CG2 VAL A 15 -2.642 8.983 6.400 1.00 0.00 C ATOM 0 H VAL A 15 -1.039 9.081 4.097 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.853 6.621 5.372 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.339 9.047 4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.195 8.242 5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.829 7.113 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.287 6.747 6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.415 9.653 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.405 8.238 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.747 9.558 6.165 1.00 0.00 H new ATOM 235 N LEU A 16 -2.668 7.210 2.242 1.00 0.00 N ATOM 236 CA LEU A 16 -3.123 6.574 1.018 1.00 0.00 C ATOM 237 C LEU A 16 -2.352 5.268 0.810 1.00 0.00 C ATOM 238 O LEU A 16 -2.869 4.327 0.212 1.00 0.00 O ATOM 239 CB LEU A 16 -3.019 7.544 -0.160 1.00 0.00 C ATOM 240 CG LEU A 16 -4.099 8.625 -0.237 1.00 0.00 C ATOM 241 CD1 LEU A 16 -3.535 9.924 -0.816 1.00 0.00 C ATOM 242 CD2 LEU A 16 -5.317 8.130 -1.018 1.00 0.00 C ATOM 0 H LEU A 16 -2.433 8.198 2.148 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.179 6.313 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.046 8.033 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.045 6.966 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.435 8.844 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.323 10.675 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.725 10.284 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.154 9.739 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.069 8.918 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.016 7.865 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.735 7.254 -0.523 1.00 0.00 H new ATOM 253 N GLU A 17 -1.127 5.255 1.315 1.00 0.00 N ATOM 254 CA GLU A 17 -0.279 4.082 1.191 1.00 0.00 C ATOM 255 C GLU A 17 -0.940 2.877 1.865 1.00 0.00 C ATOM 256 O GLU A 17 -0.856 1.757 1.362 1.00 0.00 O ATOM 257 CB GLU A 17 1.110 4.345 1.778 1.00 0.00 C ATOM 258 CG GLU A 17 2.199 4.122 0.726 1.00 0.00 C ATOM 259 CD GLU A 17 3.367 3.323 1.307 1.00 0.00 C ATOM 260 OE1 GLU A 17 3.082 2.375 2.072 1.00 0.00 O ATOM 261 OE2 GLU A 17 4.519 3.678 0.974 1.00 0.00 O ATOM 0 H GLU A 17 -0.702 6.038 1.811 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.153 3.858 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.164 5.368 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.280 3.685 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.780 3.591 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.558 5.084 0.360 1.00 0.00 H new ATOM 285 N ALA A 19 -4.241 0.776 3.393 1.00 0.00 N ATOM 286 CA ALA A 19 -5.627 0.530 3.034 1.00 0.00 C ATOM 287 C ALA A 19 -5.737 0.371 1.516 1.00 0.00 C ATOM 288 O ALA A 19 -6.805 0.052 0.998 1.00 0.00 O ATOM 289 CB ALA A 19 -6.502 1.667 3.566 1.00 0.00 C ATOM 0 HA ALA A 19 -5.982 -0.395 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.542 1.482 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.412 1.718 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.176 2.611 3.130 1.00 0.00 H new ATOM 295 N ARG A 20 -4.617 0.602 0.848 1.00 0.00 N ATOM 296 CA ARG A 20 -4.574 0.489 -0.601 1.00 0.00 C ATOM 297 C ARG A 20 -3.326 -0.280 -1.036 1.00 0.00 C ATOM 298 O ARG A 20 -2.855 -0.121 -2.162 1.00 0.00 O ATOM 299 CB ARG A 20 -4.571 1.869 -1.262 1.00 0.00 C ATOM 300 CG ARG A 20 -5.857 2.634 -0.940 1.00 0.00 C ATOM 301 CD ARG A 20 -6.456 3.254 -2.204 1.00 0.00 C ATOM 302 NE ARG A 20 -7.920 3.034 -2.230 1.00 0.00 N ATOM 303 CZ ARG A 20 -8.769 3.721 -3.007 1.00 0.00 C ATOM 304 NH1 ARG A 20 -8.305 4.675 -3.826 1.00 0.00 N ATOM 305 NH2 ARG A 20 -10.081 3.454 -2.964 1.00 0.00 N ATOM 0 H ARG A 20 -3.733 0.867 1.282 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.467 -0.051 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.708 2.439 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.470 1.759 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.581 1.960 -0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.646 3.417 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.240 4.322 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.998 2.812 -3.089 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.306 2.315 -1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.306 4.878 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.951 5.198 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.434 2.728 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.727 3.977 -3.555 1.00 0.00 H new ATOM 316 N ALA A 21 -2.824 -1.098 -0.123 1.00 0.00 N ATOM 317 CA ALA A 21 -1.639 -1.893 -0.397 1.00 0.00 C ATOM 318 C ALA A 21 -1.651 -3.141 0.486 1.00 0.00 C ATOM 319 O ALA A 21 -1.406 -4.247 0.006 1.00 0.00 O ATOM 320 CB ALA A 21 -0.389 -1.037 -0.180 1.00 0.00 C ATOM 0 H ALA A 21 -3.217 -1.228 0.809 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.631 -2.225 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.500 -1.633 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.414 -0.179 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.362 -0.688 0.852 1.00 0.00 H new ATOM 326 N GLU A 22 -1.938 -2.923 1.761 1.00 0.00 N ATOM 327 CA GLU A 22 -1.985 -4.017 2.715 1.00 0.00 C ATOM 328 C GLU A 22 -3.130 -4.972 2.372 1.00 0.00 C ATOM 329 O GLU A 22 -3.107 -6.139 2.759 1.00 0.00 O ATOM 330 CB GLU A 22 -2.119 -3.492 4.146 1.00 0.00 C ATOM 331 CG GLU A 22 -1.656 -4.539 5.161 1.00 0.00 C ATOM 332 CD GLU A 22 -1.562 -3.938 6.564 1.00 0.00 C ATOM 333 OE1 GLU A 22 -0.683 -3.070 6.753 1.00 0.00 O ATOM 334 OE2 GLU A 22 -2.372 -4.360 7.418 1.00 0.00 O ATOM 0 H GLU A 22 -2.140 -2.004 2.155 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.047 -4.568 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.528 -2.583 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.157 -3.224 4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.352 -5.378 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.684 -4.933 4.864 1.00 0.00 H new ATOM 339 N GLN A 23 -4.106 -4.440 1.650 1.00 0.00 N ATOM 340 CA GLN A 23 -5.258 -5.230 1.251 1.00 0.00 C ATOM 341 C GLN A 23 -5.068 -5.765 -0.170 1.00 0.00 C ATOM 342 O GLN A 23 -6.041 -5.983 -0.889 1.00 0.00 O ATOM 343 CB GLN A 23 -6.547 -4.414 1.361 1.00 0.00 C ATOM 344 CG GLN A 23 -6.470 -3.147 0.506 1.00 0.00 C ATOM 345 CD GLN A 23 -7.582 -3.127 -0.545 1.00 0.00 C ATOM 346 OE1 GLN A 23 -8.585 -2.447 -0.412 1.00 0.00 O ATOM 347 NE2 GLN A 23 -7.348 -3.910 -1.595 1.00 0.00 N ATOM 0 H GLN A 23 -4.122 -3.471 1.331 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.345 -6.078 1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.394 -5.021 1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.723 -4.144 2.402 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.552 -2.267 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.499 -3.094 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.486 -4.454 -1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.030 -3.966 -2.351 1.00 0.00 H new ATOM 354 N LEU A 24 -3.808 -5.960 -0.531 1.00 0.00 N ATOM 355 CA LEU A 24 -3.479 -6.466 -1.852 1.00 0.00 C ATOM 356 C LEU A 24 -1.970 -6.710 -1.938 1.00 0.00 C ATOM 357 O LEU A 24 -1.361 -6.493 -2.984 1.00 0.00 O ATOM 358 CB LEU A 24 -4.012 -5.525 -2.934 1.00 0.00 C ATOM 359 CG LEU A 24 -3.329 -4.158 -3.031 1.00 0.00 C ATOM 360 CD1 LEU A 24 -3.104 -3.760 -4.491 1.00 0.00 C ATOM 361 CD2 LEU A 24 -4.118 -3.097 -2.262 1.00 0.00 C ATOM 0 H LEU A 24 -3.003 -5.777 0.068 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.968 -7.424 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.920 -6.024 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.076 -5.366 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.347 -4.232 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.618 -2.785 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.471 -4.502 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.063 -3.708 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.612 -2.135 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.122 -3.017 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.183 -3.382 -1.212 1.00 0.00 H new ATOM 372 N ALA A 25 -1.411 -7.158 -0.824 1.00 0.00 N ATOM 373 CA ALA A 25 0.014 -7.435 -0.761 1.00 0.00 C ATOM 374 C ALA A 25 0.327 -8.183 0.537 1.00 0.00 C ATOM 375 O ALA A 25 1.140 -7.729 1.340 1.00 0.00 O ATOM 376 CB ALA A 25 0.793 -6.123 -0.878 1.00 0.00 C ATOM 0 H ALA A 25 -1.919 -7.336 0.042 1.00 0.00 H new ATOM 0 HA ALA A 25 0.318 -8.072 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.862 -6.329 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.557 -5.643 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.515 -5.460 -0.058 1.00 0.00 H new