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 X(o=0,f=-0.028) USER MOD Single : A 23 GLN : amide:sc= -4.26! C(o=-4.3!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 -2.126 21.382 3.510 1.00 0.00 N ATOM 81 CA LEU A 7 -1.896 20.026 3.977 1.00 0.00 C ATOM 82 C LEU A 7 -3.171 19.201 3.786 1.00 0.00 C ATOM 83 O LEU A 7 -3.737 18.693 4.752 1.00 0.00 O ATOM 84 CB LEU A 7 -1.381 20.037 5.419 1.00 0.00 C ATOM 85 CG LEU A 7 0.109 20.332 5.597 1.00 0.00 C ATOM 86 CD1 LEU A 7 0.944 19.062 5.420 1.00 0.00 C ATOM 87 CD2 LEU A 7 0.562 21.451 4.658 1.00 0.00 C ATOM 0 HA LEU A 7 -1.115 19.547 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.948 20.780 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.595 19.067 5.868 1.00 0.00 H new ATOM 0 HG LEU A 7 0.269 20.683 6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.000 19.299 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.643 18.322 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.785 18.658 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.625 21.641 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.386 21.152 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.002 22.358 4.874 1.00 0.00 H new ATOM 98 N THR A 8 -3.585 19.095 2.531 1.00 0.00 N ATOM 99 CA THR A 8 -4.782 18.340 2.200 1.00 0.00 C ATOM 100 C THR A 8 -4.530 17.447 0.984 1.00 0.00 C ATOM 101 O THR A 8 -4.862 16.263 1.001 1.00 0.00 O ATOM 102 CB THR A 8 -5.926 19.335 1.997 1.00 0.00 C ATOM 103 OG1 THR A 8 -6.161 19.866 3.299 1.00 0.00 O ATOM 104 CG2 THR A 8 -7.243 18.647 1.631 1.00 0.00 C ATOM 0 H THR A 8 -3.113 19.519 1.732 1.00 0.00 H new ATOM 0 HA THR A 8 -5.060 17.663 3.008 1.00 0.00 H new ATOM 0 HB THR A 8 -5.656 20.042 1.213 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.888 20.522 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.021 19.398 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.116 18.088 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.531 17.964 2.430 1.00 0.00 H new ATOM 132 N HIS A 10 -1.824 16.410 0.025 1.00 0.00 N ATOM 133 CA HIS A 10 -0.815 15.430 0.389 1.00 0.00 C ATOM 134 C HIS A 10 -1.484 14.230 1.063 1.00 0.00 C ATOM 135 O HIS A 10 -0.881 13.165 1.182 1.00 0.00 O ATOM 136 CB HIS A 10 0.272 16.067 1.257 1.00 0.00 C ATOM 137 CG HIS A 10 1.328 16.809 0.473 1.00 0.00 C ATOM 138 ND1 HIS A 10 2.259 16.165 -0.324 1.00 0.00 N ATOM 139 CD2 HIS A 10 1.590 18.143 0.372 1.00 0.00 C ATOM 140 CE1 HIS A 10 3.042 17.082 -0.875 1.00 0.00 C ATOM 141 NE2 HIS A 10 2.625 18.306 -0.442 1.00 0.00 N ATOM 0 HA HIS A 10 -0.316 15.066 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.196 16.757 1.959 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.753 15.288 1.848 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.047 18.933 0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.865 16.893 -1.548 1.00 0.00 H new ATOM 0 HE2 HIS A 10 3.041 19.201 -0.701 1.00 0.00 H new ATOM 149 N LEU A 11 -2.722 14.444 1.485 1.00 0.00 N ATOM 150 CA LEU A 11 -3.479 13.393 2.144 1.00 0.00 C ATOM 151 C LEU A 11 -3.992 12.405 1.094 1.00 0.00 C ATOM 152 O LEU A 11 -4.404 11.296 1.429 1.00 0.00 O ATOM 153 CB LEU A 11 -4.585 13.994 3.014 1.00 0.00 C ATOM 154 CG LEU A 11 -4.128 14.980 4.091 1.00 0.00 C ATOM 155 CD1 LEU A 11 -5.320 15.733 4.685 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.303 14.272 5.168 1.00 0.00 C ATOM 0 H LEU A 11 -3.219 15.329 1.383 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.839 12.832 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.297 14.501 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.122 13.179 3.499 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.479 15.721 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.968 16.427 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.829 16.287 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.013 15.021 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.991 14.995 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.908 13.496 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.422 13.819 4.713 1.00 0.00 H new ATOM 167 N LEU A 12 -3.950 12.845 -0.156 1.00 0.00 N ATOM 168 CA LEU A 12 -4.405 12.013 -1.257 1.00 0.00 C ATOM 169 C LEU A 12 -3.224 11.207 -1.804 1.00 0.00 C ATOM 170 O LEU A 12 -3.023 11.138 -3.015 1.00 0.00 O ATOM 171 CB LEU A 12 -5.112 12.863 -2.315 1.00 0.00 C ATOM 172 CG LEU A 12 -6.504 13.375 -1.941 1.00 0.00 C ATOM 173 CD1 LEU A 12 -7.039 14.333 -3.008 1.00 0.00 C ATOM 174 CD2 LEU A 12 -7.464 12.213 -1.682 1.00 0.00 C ATOM 0 H LEU A 12 -3.608 13.766 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.148 11.295 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.480 13.721 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.196 12.275 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.423 13.939 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.030 14.683 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.366 15.185 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.102 13.814 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.446 12.605 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.546 11.602 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.084 11.603 -0.862 1.00 0.00 H new ATOM 185 N ARG A 13 -2.475 10.617 -0.884 1.00 0.00 N ATOM 186 CA ARG A 13 -1.321 9.819 -1.259 1.00 0.00 C ATOM 187 C ARG A 13 -0.526 9.419 -0.015 1.00 0.00 C ATOM 188 O ARG A 13 0.048 8.332 0.037 1.00 0.00 O ATOM 189 CB ARG A 13 -0.406 10.589 -2.214 1.00 0.00 C ATOM 190 CG ARG A 13 -0.111 11.992 -1.680 1.00 0.00 C ATOM 191 CD ARG A 13 0.298 12.935 -2.813 1.00 0.00 C ATOM 192 NE ARG A 13 1.734 12.760 -3.125 1.00 0.00 N ATOM 193 CZ ARG A 13 2.412 13.518 -3.996 1.00 0.00 C ATOM 194 NH1 ARG A 13 1.789 14.509 -4.648 1.00 0.00 N ATOM 195 NH2 ARG A 13 3.713 13.287 -4.215 1.00 0.00 N ATOM 0 H ARG A 13 -2.645 10.676 0.120 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.686 8.925 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.528 10.043 -2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.876 10.661 -3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.993 12.386 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.686 11.942 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.302 12.733 -3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.103 13.968 -2.525 1.00 0.00 H new ATOM 0 HE ARG A 13 2.239 12.015 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.798 14.686 -4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.305 15.087 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.188 12.533 -3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.229 13.865 -4.879 1.00 0.00 H new ATOM 206 N GLU A 14 -0.517 10.318 0.958 1.00 0.00 N ATOM 207 CA GLU A 14 0.199 10.072 2.199 1.00 0.00 C ATOM 208 C GLU A 14 -0.573 9.076 3.067 1.00 0.00 C ATOM 209 O GLU A 14 0.012 8.139 3.610 1.00 0.00 O ATOM 210 CB GLU A 14 0.449 11.378 2.956 1.00 0.00 C ATOM 211 CG GLU A 14 1.551 12.198 2.282 1.00 0.00 C ATOM 212 CD GLU A 14 1.905 13.430 3.117 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.961 14.031 3.672 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.114 13.744 3.182 1.00 0.00 O ATOM 0 H GLU A 14 -0.994 11.218 0.912 1.00 0.00 H new ATOM 0 HA GLU A 14 1.170 9.639 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.471 11.961 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.732 11.158 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.438 11.579 2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.223 12.508 1.290 1.00 0.00 H new ATOM 219 N VAL A 15 -1.872 9.311 3.171 1.00 0.00 N ATOM 220 CA VAL A 15 -2.728 8.445 3.963 1.00 0.00 C ATOM 221 C VAL A 15 -3.049 7.180 3.164 1.00 0.00 C ATOM 222 O VAL A 15 -2.736 6.072 3.596 1.00 0.00 O ATOM 223 CB VAL A 15 -3.980 9.208 4.403 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.989 8.268 5.068 1.00 0.00 C ATOM 225 CG2 VAL A 15 -3.617 10.369 5.329 1.00 0.00 C ATOM 0 H VAL A 15 -2.353 10.089 2.720 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.216 8.132 4.873 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.449 9.626 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.869 8.835 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.283 7.491 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.534 7.808 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.524 10.894 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.113 9.984 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.954 11.058 4.806 1.00 0.00 H new ATOM 235 N LEU A 16 -3.668 7.388 2.011 1.00 0.00 N ATOM 236 CA LEU A 16 -4.034 6.280 1.147 1.00 0.00 C ATOM 237 C LEU A 16 -2.898 5.254 1.131 1.00 0.00 C ATOM 238 O LEU A 16 -3.144 4.050 1.082 1.00 0.00 O ATOM 239 CB LEU A 16 -4.422 6.788 -0.243 1.00 0.00 C ATOM 240 CG LEU A 16 -5.874 7.242 -0.410 1.00 0.00 C ATOM 241 CD1 LEU A 16 -6.009 8.230 -1.569 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.809 6.042 -0.567 1.00 0.00 C ATOM 0 H LEU A 16 -3.925 8.309 1.655 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.918 5.773 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.769 7.623 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.224 5.996 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.174 7.767 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.050 8.537 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.389 9.105 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.684 7.753 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.834 6.393 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.519 5.468 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.741 5.409 0.318 1.00 0.00 H new ATOM 253 N GLU A 17 -1.678 5.770 1.174 1.00 0.00 N ATOM 254 CA GLU A 17 -0.504 4.915 1.166 1.00 0.00 C ATOM 255 C GLU A 17 -0.749 3.667 2.019 1.00 0.00 C ATOM 256 O GLU A 17 -0.521 2.548 1.566 1.00 0.00 O ATOM 257 CB GLU A 17 0.732 5.676 1.650 1.00 0.00 C ATOM 258 CG GLU A 17 1.768 5.807 0.532 1.00 0.00 C ATOM 259 CD GLU A 17 3.183 5.568 1.065 1.00 0.00 C ATOM 260 OE1 GLU A 17 3.541 6.249 2.050 1.00 0.00 O ATOM 261 OE2 GLU A 17 3.875 4.711 0.474 1.00 0.00 O ATOM 0 H GLU A 17 -1.478 6.769 1.214 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.317 4.598 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.440 6.667 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.173 5.157 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.547 5.090 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.706 6.801 0.088 1.00 0.00 H new ATOM 285 N ALA A 19 -2.985 0.927 4.158 1.00 0.00 N ATOM 286 CA ALA A 19 -4.245 0.231 3.960 1.00 0.00 C ATOM 287 C ALA A 19 -4.375 -0.172 2.489 1.00 0.00 C ATOM 288 O ALA A 19 -5.317 -0.866 2.112 1.00 0.00 O ATOM 289 CB ALA A 19 -5.399 1.122 4.424 1.00 0.00 C ATOM 0 HA ALA A 19 -4.277 -0.681 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.344 0.600 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.276 1.356 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.400 2.046 3.846 1.00 0.00 H new ATOM 295 N ARG A 20 -3.413 0.281 1.697 1.00 0.00 N ATOM 296 CA ARG A 20 -3.408 -0.023 0.277 1.00 0.00 C ATOM 297 C ARG A 20 -2.420 -1.153 -0.020 1.00 0.00 C ATOM 298 O ARG A 20 -2.566 -1.866 -1.011 1.00 0.00 O ATOM 299 CB ARG A 20 -3.028 1.207 -0.549 1.00 0.00 C ATOM 300 CG ARG A 20 -4.195 2.193 -0.633 1.00 0.00 C ATOM 301 CD ARG A 20 -5.203 1.760 -1.699 1.00 0.00 C ATOM 302 NE ARG A 20 -6.382 1.137 -1.057 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.482 0.754 -1.719 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.562 0.929 -3.045 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.504 0.197 -1.054 1.00 0.00 N ATOM 0 H ARG A 20 -2.632 0.856 2.013 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.416 -0.334 0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.164 1.698 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.734 0.899 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.690 2.259 0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.818 3.189 -0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.513 2.622 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.737 1.054 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.355 0.990 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.785 1.354 -3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.400 0.637 -3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.444 0.065 -0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.342 -0.095 -1.558 1.00 0.00 H new ATOM 316 N ALA A 21 -1.435 -1.280 0.857 1.00 0.00 N ATOM 317 CA ALA A 21 -0.422 -2.311 0.702 1.00 0.00 C ATOM 318 C ALA A 21 -0.821 -3.539 1.522 1.00 0.00 C ATOM 319 O ALA A 21 -0.483 -4.667 1.163 1.00 0.00 O ATOM 320 CB ALA A 21 0.942 -1.754 1.112 1.00 0.00 C ATOM 0 H ALA A 21 -1.317 -0.686 1.678 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.347 -2.621 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.701 -2.528 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.192 -0.902 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.906 -1.435 2.154 1.00 0.00 H new ATOM 326 N GLU A 22 -1.534 -3.281 2.608 1.00 0.00 N ATOM 327 CA GLU A 22 -1.982 -4.351 3.483 1.00 0.00 C ATOM 328 C GLU A 22 -3.295 -4.943 2.966 1.00 0.00 C ATOM 329 O GLU A 22 -3.942 -5.726 3.660 1.00 0.00 O ATOM 330 CB GLU A 22 -2.133 -3.856 4.922 1.00 0.00 C ATOM 331 CG GLU A 22 -2.385 -5.023 5.880 1.00 0.00 C ATOM 332 CD GLU A 22 -2.120 -4.610 7.329 1.00 0.00 C ATOM 333 OE1 GLU A 22 -1.123 -3.886 7.539 1.00 0.00 O ATOM 334 OE2 GLU A 22 -2.920 -5.028 8.193 1.00 0.00 O ATOM 0 H GLU A 22 -1.813 -2.345 2.902 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.226 -5.136 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.232 -3.322 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.959 -3.147 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.415 -5.366 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.742 -5.862 5.614 1.00 0.00 H new ATOM 339 N GLN A 23 -3.650 -4.546 1.753 1.00 0.00 N ATOM 340 CA GLN A 23 -4.874 -5.028 1.136 1.00 0.00 C ATOM 341 C GLN A 23 -4.564 -5.702 -0.202 1.00 0.00 C ATOM 342 O GLN A 23 -5.426 -5.778 -1.078 1.00 0.00 O ATOM 343 CB GLN A 23 -5.882 -3.891 0.957 1.00 0.00 C ATOM 344 CG GLN A 23 -5.385 -2.874 -0.073 1.00 0.00 C ATOM 345 CD GLN A 23 -5.886 -3.226 -1.476 1.00 0.00 C ATOM 346 OE1 GLN A 23 -5.121 -3.409 -2.408 1.00 0.00 O ATOM 347 NE2 GLN A 23 -7.210 -3.310 -1.573 1.00 0.00 N ATOM 0 H GLN A 23 -3.111 -3.896 1.181 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.325 -5.768 1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.842 -4.298 0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.049 -3.394 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.729 -1.876 0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.295 -2.848 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.793 -3.145 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.642 -3.540 -2.468 1.00 0.00 H new ATOM 354 N LEU A 24 -3.332 -6.173 -0.321 1.00 0.00 N ATOM 355 CA LEU A 24 -2.898 -6.838 -1.537 1.00 0.00 C ATOM 356 C LEU A 24 -1.469 -7.351 -1.351 1.00 0.00 C ATOM 357 O LEU A 24 -0.673 -7.334 -2.288 1.00 0.00 O ATOM 358 CB LEU A 24 -3.066 -5.911 -2.743 1.00 0.00 C ATOM 359 CG LEU A 24 -1.840 -5.080 -3.127 1.00 0.00 C ATOM 360 CD1 LEU A 24 -2.230 -3.920 -4.044 1.00 0.00 C ATOM 361 CD2 LEU A 24 -1.091 -4.601 -1.882 1.00 0.00 C ATOM 0 H LEU A 24 -2.620 -6.107 0.406 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.525 -7.706 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.354 -6.515 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.893 -5.230 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.157 -5.717 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.341 -3.345 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.685 -4.312 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.943 -3.274 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.224 -4.013 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.753 -3.986 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.761 -5.463 -1.302 1.00 0.00 H new ATOM 372 N ALA A 25 -1.188 -7.796 -0.135 1.00 0.00 N ATOM 373 CA ALA A 25 0.132 -8.313 0.186 1.00 0.00 C ATOM 374 C ALA A 25 -0.010 -9.691 0.837 1.00 0.00 C ATOM 375 O ALA A 25 0.852 -10.109 1.608 1.00 0.00 O ATOM 376 CB ALA A 25 0.866 -7.317 1.085 1.00 0.00 C ATOM 0 H ALA A 25 -1.851 -7.809 0.640 1.00 0.00 H new ATOM 0 HA ALA A 25 0.727 -8.435 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.856 -7.705 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.966 -6.364 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.300 -7.172 2.005 1.00 0.00 H new