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) USER MOD Single : A 23 GLN : amide:sc= 1.26 K(o=1.3,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 -3.106 19.030 10.037 1.00 0.00 N ATOM 81 CA LEU A 7 -2.500 18.057 9.145 1.00 0.00 C ATOM 82 C LEU A 7 -3.556 17.037 8.716 1.00 0.00 C ATOM 83 O LEU A 7 -3.362 15.833 8.876 1.00 0.00 O ATOM 84 CB LEU A 7 -1.265 17.430 9.794 1.00 0.00 C ATOM 85 CG LEU A 7 -0.047 18.343 9.942 1.00 0.00 C ATOM 86 CD1 LEU A 7 0.981 17.735 10.898 1.00 0.00 C ATOM 87 CD2 LEU A 7 0.563 18.668 8.577 1.00 0.00 C ATOM 0 HA LEU A 7 -2.141 18.544 8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.544 17.067 10.783 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.972 16.560 9.206 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.377 19.285 10.380 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.837 18.404 10.985 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.528 17.596 11.879 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.312 16.771 10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.427 19.319 8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.876 17.745 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.179 19.173 7.958 1.00 0.00 H new ATOM 98 N THR A 8 -4.651 17.556 8.180 1.00 0.00 N ATOM 99 CA THR A 8 -5.738 16.704 7.728 1.00 0.00 C ATOM 100 C THR A 8 -5.602 16.415 6.231 1.00 0.00 C ATOM 101 O THR A 8 -5.925 15.319 5.775 1.00 0.00 O ATOM 102 CB THR A 8 -7.057 17.385 8.097 1.00 0.00 C ATOM 103 OG1 THR A 8 -7.299 16.969 9.438 1.00 0.00 O ATOM 104 CG2 THR A 8 -8.246 16.825 7.313 1.00 0.00 C ATOM 0 H THR A 8 -4.809 18.555 8.049 1.00 0.00 H new ATOM 0 HA THR A 8 -5.709 15.731 8.219 1.00 0.00 H new ATOM 0 HB THR A 8 -6.975 18.457 7.915 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.136 17.367 9.758 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.157 17.343 7.614 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.080 16.972 6.246 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.349 15.760 7.520 1.00 0.00 H new ATOM 132 N HIS A 10 -2.974 16.039 4.703 1.00 0.00 N ATOM 133 CA HIS A 10 -1.904 15.071 4.535 1.00 0.00 C ATOM 134 C HIS A 10 -2.393 13.686 4.966 1.00 0.00 C ATOM 135 O HIS A 10 -1.777 12.674 4.632 1.00 0.00 O ATOM 136 CB HIS A 10 -0.646 15.515 5.283 1.00 0.00 C ATOM 137 CG HIS A 10 0.292 16.364 4.457 1.00 0.00 C ATOM 138 ND1 HIS A 10 -0.150 17.381 3.629 1.00 0.00 N ATOM 139 CD2 HIS A 10 1.650 16.337 4.342 1.00 0.00 C ATOM 140 CE1 HIS A 10 0.903 17.933 3.046 1.00 0.00 C ATOM 141 NE2 HIS A 10 2.018 17.284 3.489 1.00 0.00 N ATOM 0 HA HIS A 10 -1.627 15.009 3.483 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.942 16.076 6.170 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.110 14.631 5.629 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.314 15.659 4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.883 18.753 2.343 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.977 17.492 3.210 1.00 0.00 H new ATOM 149 N LEU A 11 -3.494 13.685 5.701 1.00 0.00 N ATOM 150 CA LEU A 11 -4.072 12.442 6.182 1.00 0.00 C ATOM 151 C LEU A 11 -4.825 11.758 5.038 1.00 0.00 C ATOM 152 O LEU A 11 -5.214 10.597 5.153 1.00 0.00 O ATOM 153 CB LEU A 11 -4.935 12.695 7.419 1.00 0.00 C ATOM 154 CG LEU A 11 -6.448 12.725 7.188 1.00 0.00 C ATOM 155 CD1 LEU A 11 -7.000 11.314 6.984 1.00 0.00 C ATOM 156 CD2 LEU A 11 -7.161 13.461 8.325 1.00 0.00 C ATOM 0 H LEU A 11 -4.002 14.526 5.976 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.287 11.757 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.715 11.922 8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.636 13.647 7.858 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.643 13.282 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.077 11.364 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.523 10.859 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.794 10.711 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.235 13.468 8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.961 12.953 9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.795 14.486 8.380 1.00 0.00 H new ATOM 167 N LEU A 12 -5.006 12.507 3.960 1.00 0.00 N ATOM 168 CA LEU A 12 -5.703 11.988 2.796 1.00 0.00 C ATOM 169 C LEU A 12 -4.684 11.630 1.713 1.00 0.00 C ATOM 170 O LEU A 12 -4.793 12.087 0.577 1.00 0.00 O ATOM 171 CB LEU A 12 -6.775 12.975 2.329 1.00 0.00 C ATOM 172 CG LEU A 12 -7.874 13.300 3.342 1.00 0.00 C ATOM 173 CD1 LEU A 12 -8.741 14.463 2.856 1.00 0.00 C ATOM 174 CD2 LEU A 12 -8.709 12.058 3.663 1.00 0.00 C ATOM 0 H LEU A 12 -4.682 13.470 3.869 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.235 11.071 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.284 13.906 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.244 12.574 1.431 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.399 13.618 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.514 14.674 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.119 15.348 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.208 14.197 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.483 12.317 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.174 11.686 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.065 11.285 4.082 1.00 0.00 H new ATOM 185 N ARG A 13 -3.715 10.814 2.104 1.00 0.00 N ATOM 186 CA ARG A 13 -2.677 10.388 1.180 1.00 0.00 C ATOM 187 C ARG A 13 -1.588 9.615 1.926 1.00 0.00 C ATOM 188 O ARG A 13 -1.047 8.640 1.406 1.00 0.00 O ATOM 189 CB ARG A 13 -2.046 11.588 0.471 1.00 0.00 C ATOM 190 CG ARG A 13 -1.752 12.717 1.461 1.00 0.00 C ATOM 191 CD ARG A 13 -1.473 14.031 0.727 1.00 0.00 C ATOM 192 NE ARG A 13 -0.109 14.011 0.154 1.00 0.00 N ATOM 193 CZ ARG A 13 0.357 14.926 -0.707 1.00 0.00 C ATOM 194 NH1 ARG A 13 -0.428 15.938 -1.101 1.00 0.00 N ATOM 195 NH2 ARG A 13 1.609 14.828 -1.177 1.00 0.00 N ATOM 0 H ARG A 13 -3.627 10.437 3.048 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.140 9.742 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.123 11.281 -0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.717 11.949 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.600 12.845 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.893 12.451 2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.207 14.177 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.575 14.870 1.415 1.00 0.00 H new ATOM 0 HE ARG A 13 0.515 13.254 0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.381 16.012 -0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.072 16.634 -1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.207 14.057 -0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.964 15.524 -1.832 1.00 0.00 H new ATOM 206 N GLU A 14 -1.299 10.077 3.133 1.00 0.00 N ATOM 207 CA GLU A 14 -0.285 9.440 3.956 1.00 0.00 C ATOM 208 C GLU A 14 -0.746 8.046 4.383 1.00 0.00 C ATOM 209 O GLU A 14 -0.037 7.062 4.171 1.00 0.00 O ATOM 210 CB GLU A 14 0.054 10.303 5.174 1.00 0.00 C ATOM 211 CG GLU A 14 1.473 10.015 5.671 1.00 0.00 C ATOM 212 CD GLU A 14 1.475 9.689 7.165 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.440 10.655 7.958 1.00 0.00 O ATOM 214 OE2 GLU A 14 1.510 8.480 7.482 1.00 0.00 O ATOM 0 H GLU A 14 -1.750 10.886 3.561 1.00 0.00 H new ATOM 0 HA GLU A 14 0.623 9.334 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.037 11.358 4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.662 10.109 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.895 9.180 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.110 10.879 5.483 1.00 0.00 H new ATOM 219 N VAL A 15 -1.930 8.004 4.975 1.00 0.00 N ATOM 220 CA VAL A 15 -2.495 6.745 5.433 1.00 0.00 C ATOM 221 C VAL A 15 -2.894 5.900 4.222 1.00 0.00 C ATOM 222 O VAL A 15 -2.419 4.777 4.062 1.00 0.00 O ATOM 223 CB VAL A 15 -3.660 7.011 6.387 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.423 5.722 6.694 1.00 0.00 C ATOM 225 CG2 VAL A 15 -3.174 7.680 7.675 1.00 0.00 C ATOM 0 H VAL A 15 -2.515 8.822 5.149 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.755 6.176 5.996 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.347 7.697 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.246 5.940 7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.818 5.304 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.749 5.002 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.023 7.858 8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.456 7.030 8.174 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.697 8.630 7.434 1.00 0.00 H new ATOM 235 N LEU A 16 -3.762 6.473 3.401 1.00 0.00 N ATOM 236 CA LEU A 16 -4.231 5.785 2.210 1.00 0.00 C ATOM 237 C LEU A 16 -3.044 5.117 1.511 1.00 0.00 C ATOM 238 O LEU A 16 -3.203 4.089 0.856 1.00 0.00 O ATOM 239 CB LEU A 16 -5.014 6.744 1.311 1.00 0.00 C ATOM 240 CG LEU A 16 -6.274 7.359 1.924 1.00 0.00 C ATOM 241 CD1 LEU A 16 -6.020 8.800 2.368 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.458 7.256 0.960 1.00 0.00 C ATOM 0 H LEU A 16 -4.153 7.405 3.537 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.930 4.993 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.349 7.553 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.298 6.210 0.404 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.534 6.789 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.931 9.214 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.225 8.816 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.722 9.399 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.341 7.700 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.223 7.787 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.654 6.208 0.736 1.00 0.00 H new ATOM 253 N GLU A 17 -1.881 5.730 1.676 1.00 0.00 N ATOM 254 CA GLU A 17 -0.668 5.208 1.069 1.00 0.00 C ATOM 255 C GLU A 17 -0.512 3.721 1.390 1.00 0.00 C ATOM 256 O GLU A 17 -0.361 2.900 0.488 1.00 0.00 O ATOM 257 CB GLU A 17 0.559 6.000 1.527 1.00 0.00 C ATOM 258 CG GLU A 17 1.495 6.288 0.353 1.00 0.00 C ATOM 259 CD GLU A 17 2.774 5.455 0.453 1.00 0.00 C ATOM 260 OE1 GLU A 17 2.642 4.213 0.458 1.00 0.00 O ATOM 261 OE2 GLU A 17 3.854 6.080 0.521 1.00 0.00 O ATOM 0 H GLU A 17 -1.753 6.583 2.221 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.749 5.320 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.242 6.938 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.093 5.439 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.986 6.067 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.748 7.348 0.337 1.00 0.00 H new ATOM 285 N ALA A 19 -2.650 1.596 2.341 1.00 0.00 N ATOM 286 CA ALA A 19 -3.990 1.038 2.392 1.00 0.00 C ATOM 287 C ALA A 19 -4.326 0.402 1.041 1.00 0.00 C ATOM 288 O ALA A 19 -5.471 0.025 0.796 1.00 0.00 O ATOM 289 CB ALA A 19 -4.985 2.132 2.785 1.00 0.00 C ATOM 0 HA ALA A 19 -4.050 0.256 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.990 1.713 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.720 2.530 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.954 2.934 2.047 1.00 0.00 H new ATOM 295 N ARG A 20 -3.307 0.304 0.201 1.00 0.00 N ATOM 296 CA ARG A 20 -3.479 -0.280 -1.119 1.00 0.00 C ATOM 297 C ARG A 20 -2.597 -1.521 -1.269 1.00 0.00 C ATOM 298 O ARG A 20 -3.008 -2.509 -1.876 1.00 0.00 O ATOM 299 CB ARG A 20 -3.123 0.726 -2.216 1.00 0.00 C ATOM 300 CG ARG A 20 -4.234 1.764 -2.388 1.00 0.00 C ATOM 301 CD ARG A 20 -4.191 2.386 -3.785 1.00 0.00 C ATOM 302 NE ARG A 20 -5.482 2.168 -4.477 1.00 0.00 N ATOM 303 CZ ARG A 20 -5.749 2.594 -5.718 1.00 0.00 C ATOM 304 NH1 ARG A 20 -4.819 3.263 -6.412 1.00 0.00 N ATOM 305 NH2 ARG A 20 -6.948 2.351 -6.266 1.00 0.00 N ATOM 0 H ARG A 20 -2.359 0.619 0.408 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.527 -0.560 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.188 1.227 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.962 0.201 -3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.204 1.294 -2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.127 2.545 -1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.985 3.454 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.380 1.944 -4.364 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.213 1.662 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.907 3.448 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.023 3.587 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.656 1.842 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.152 2.675 -7.211 1.00 0.00 H new ATOM 316 N ALA A 21 -1.401 -1.430 -0.707 1.00 0.00 N ATOM 317 CA ALA A 21 -0.457 -2.534 -0.771 1.00 0.00 C ATOM 318 C ALA A 21 -0.875 -3.614 0.228 1.00 0.00 C ATOM 319 O ALA A 21 -0.630 -4.799 0.006 1.00 0.00 O ATOM 320 CB ALA A 21 0.957 -2.012 -0.510 1.00 0.00 C ATOM 0 H ALA A 21 -1.063 -0.609 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.459 -2.985 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.665 -2.839 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.216 -1.269 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.999 -1.555 0.479 1.00 0.00 H new ATOM 326 N GLU A 22 -1.496 -3.167 1.309 1.00 0.00 N ATOM 327 CA GLU A 22 -1.950 -4.081 2.344 1.00 0.00 C ATOM 328 C GLU A 22 -3.157 -4.883 1.853 1.00 0.00 C ATOM 329 O GLU A 22 -3.338 -6.037 2.238 1.00 0.00 O ATOM 330 CB GLU A 22 -2.280 -3.328 3.635 1.00 0.00 C ATOM 331 CG GLU A 22 -2.581 -4.302 4.775 1.00 0.00 C ATOM 332 CD GLU A 22 -2.609 -3.576 6.122 1.00 0.00 C ATOM 333 OE1 GLU A 22 -3.573 -2.810 6.334 1.00 0.00 O ATOM 334 OE2 GLU A 22 -1.664 -3.804 6.909 1.00 0.00 O ATOM 0 H GLU A 22 -1.696 -2.183 1.491 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.142 -4.778 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.443 -2.687 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.139 -2.677 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.541 -4.788 4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.825 -5.087 4.796 1.00 0.00 H new ATOM 339 N GLN A 23 -3.951 -4.238 1.010 1.00 0.00 N ATOM 340 CA GLN A 23 -5.136 -4.878 0.462 1.00 0.00 C ATOM 341 C GLN A 23 -4.827 -5.482 -0.908 1.00 0.00 C ATOM 342 O GLN A 23 -5.687 -5.507 -1.787 1.00 0.00 O ATOM 343 CB GLN A 23 -6.302 -3.890 0.377 1.00 0.00 C ATOM 344 CG GLN A 23 -6.052 -2.839 -0.707 1.00 0.00 C ATOM 345 CD GLN A 23 -7.281 -2.672 -1.601 1.00 0.00 C ATOM 346 OE1 GLN A 23 -7.967 -1.663 -1.574 1.00 0.00 O ATOM 347 NE2 GLN A 23 -7.521 -3.713 -2.394 1.00 0.00 N ATOM 0 H GLN A 23 -3.798 -3.281 0.693 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.434 -5.684 1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.225 -4.429 0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.438 -3.399 1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.803 -1.885 -0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.194 -3.132 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.907 -4.527 -2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.319 -3.697 -3.029 1.00 0.00 H new ATOM 354 N LEU A 24 -3.597 -5.954 -1.048 1.00 0.00 N ATOM 355 CA LEU A 24 -3.164 -6.557 -2.297 1.00 0.00 C ATOM 356 C LEU A 24 -1.757 -7.131 -2.121 1.00 0.00 C ATOM 357 O LEU A 24 -0.928 -7.039 -3.025 1.00 0.00 O ATOM 358 CB LEU A 24 -3.280 -5.552 -3.445 1.00 0.00 C ATOM 359 CG LEU A 24 -3.046 -6.109 -4.851 1.00 0.00 C ATOM 360 CD1 LEU A 24 -4.178 -7.053 -5.262 1.00 0.00 C ATOM 361 CD2 LEU A 24 -2.846 -4.979 -5.862 1.00 0.00 C ATOM 0 H LEU A 24 -2.886 -5.931 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.816 -7.389 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.275 -5.107 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.565 -4.748 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.127 -6.695 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.987 -7.435 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.230 -7.886 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.124 -6.512 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.682 -5.402 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.733 -4.346 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.980 -4.382 -5.574 1.00 0.00 H new ATOM 372 N ALA A 25 -1.531 -7.709 -0.951 1.00 0.00 N ATOM 373 CA ALA A 25 -0.238 -8.298 -0.644 1.00 0.00 C ATOM 374 C ALA A 25 -0.184 -8.656 0.841 1.00 0.00 C ATOM 375 O ALA A 25 0.695 -8.190 1.566 1.00 0.00 O ATOM 376 CB ALA A 25 0.874 -7.328 -1.050 1.00 0.00 C ATOM 0 H ALA A 25 -2.221 -7.782 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.092 -9.218 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.844 -7.769 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.811 -7.129 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.761 -6.394 -0.500 1.00 0.00 H new