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= -0.312 X(o=-0.31,f=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 -3.574 18.557 10.346 1.00 0.00 N ATOM 81 CA LEU A 7 -2.831 17.317 10.497 1.00 0.00 C ATOM 82 C LEU A 7 -3.716 16.143 10.075 1.00 0.00 C ATOM 83 O LEU A 7 -3.365 14.985 10.296 1.00 0.00 O ATOM 84 CB LEU A 7 -2.281 17.193 11.919 1.00 0.00 C ATOM 85 CG LEU A 7 -1.525 18.410 12.455 1.00 0.00 C ATOM 86 CD1 LEU A 7 -2.477 19.381 13.157 1.00 0.00 C ATOM 87 CD2 LEU A 7 -0.370 17.983 13.363 1.00 0.00 C ATOM 0 HA LEU A 7 -1.960 17.312 9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.112 16.982 12.592 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.615 16.331 11.955 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.089 18.941 11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.914 20.237 13.529 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.234 19.723 12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.962 18.875 13.992 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.150 18.868 13.730 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.762 17.416 14.207 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.325 17.361 12.799 1.00 0.00 H new ATOM 98 N THR A 8 -4.848 16.482 9.475 1.00 0.00 N ATOM 99 CA THR A 8 -5.786 15.470 9.019 1.00 0.00 C ATOM 100 C THR A 8 -5.547 15.147 7.542 1.00 0.00 C ATOM 101 O THR A 8 -5.505 13.980 7.157 1.00 0.00 O ATOM 102 CB THR A 8 -7.201 15.972 9.311 1.00 0.00 C ATOM 103 OG1 THR A 8 -7.222 16.148 10.725 1.00 0.00 O ATOM 104 CG2 THR A 8 -8.266 14.904 9.053 1.00 0.00 C ATOM 0 H THR A 8 -5.137 17.443 9.294 1.00 0.00 H new ATOM 0 HA THR A 8 -5.643 14.529 9.551 1.00 0.00 H new ATOM 0 HB THR A 8 -7.409 16.848 8.697 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.104 16.474 11.001 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.252 15.312 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.228 14.597 8.008 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.078 14.041 9.692 1.00 0.00 H new ATOM 132 N HIS A 10 -2.971 15.384 6.075 1.00 0.00 N ATOM 133 CA HIS A 10 -1.663 14.764 5.965 1.00 0.00 C ATOM 134 C HIS A 10 -1.713 13.351 6.552 1.00 0.00 C ATOM 135 O HIS A 10 -0.675 12.728 6.771 1.00 0.00 O ATOM 136 CB HIS A 10 -0.589 15.638 6.616 1.00 0.00 C ATOM 137 CG HIS A 10 0.446 16.162 5.650 1.00 0.00 C ATOM 138 ND1 HIS A 10 1.374 15.344 5.029 1.00 0.00 N ATOM 139 CD2 HIS A 10 0.690 17.428 5.205 1.00 0.00 C ATOM 140 CE1 HIS A 10 2.137 16.096 4.249 1.00 0.00 C ATOM 141 NE2 HIS A 10 1.711 17.387 4.359 1.00 0.00 N ATOM 0 HA HIS A 10 -1.388 14.675 4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.072 16.482 7.108 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.087 15.061 7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.144 18.314 5.493 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.953 15.748 3.634 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.111 18.188 3.871 1.00 0.00 H new ATOM 149 N LEU A 11 -2.932 12.887 6.790 1.00 0.00 N ATOM 150 CA LEU A 11 -3.131 11.561 7.346 1.00 0.00 C ATOM 151 C LEU A 11 -3.815 10.673 6.304 1.00 0.00 C ATOM 152 O LEU A 11 -3.537 9.477 6.225 1.00 0.00 O ATOM 153 CB LEU A 11 -3.888 11.645 8.673 1.00 0.00 C ATOM 154 CG LEU A 11 -5.385 11.336 8.613 1.00 0.00 C ATOM 155 CD1 LEU A 11 -5.632 9.826 8.593 1.00 0.00 C ATOM 156 CD2 LEU A 11 -6.135 12.024 9.755 1.00 0.00 C ATOM 0 H LEU A 11 -3.791 13.407 6.608 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.172 11.098 7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.423 10.956 9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.761 12.649 9.078 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.779 11.740 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.704 9.633 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.150 9.390 7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.218 9.378 9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.197 11.787 9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.745 11.673 10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.999 13.103 9.682 1.00 0.00 H new ATOM 167 N LEU A 12 -4.695 11.291 5.532 1.00 0.00 N ATOM 168 CA LEU A 12 -5.420 10.572 4.498 1.00 0.00 C ATOM 169 C LEU A 12 -4.423 9.988 3.495 1.00 0.00 C ATOM 170 O LEU A 12 -3.971 8.855 3.653 1.00 0.00 O ATOM 171 CB LEU A 12 -6.479 11.473 3.860 1.00 0.00 C ATOM 172 CG LEU A 12 -7.610 11.936 4.780 1.00 0.00 C ATOM 173 CD1 LEU A 12 -8.682 12.691 3.994 1.00 0.00 C ATOM 174 CD2 LEU A 12 -8.195 10.759 5.562 1.00 0.00 C ATOM 0 H LEU A 12 -4.923 12.283 5.601 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.967 9.734 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.982 12.355 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.919 10.941 3.016 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.195 12.633 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.474 13.009 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.237 13.566 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.100 12.037 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.997 11.115 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.591 10.020 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.414 10.302 6.170 1.00 0.00 H new ATOM 185 N ARG A 13 -4.111 10.787 2.486 1.00 0.00 N ATOM 186 CA ARG A 13 -3.176 10.363 1.458 1.00 0.00 C ATOM 187 C ARG A 13 -1.977 9.652 2.090 1.00 0.00 C ATOM 188 O ARG A 13 -1.384 8.766 1.477 1.00 0.00 O ATOM 189 CB ARG A 13 -2.679 11.557 0.639 1.00 0.00 C ATOM 190 CG ARG A 13 -1.806 12.480 1.492 1.00 0.00 C ATOM 191 CD ARG A 13 -1.191 13.592 0.642 1.00 0.00 C ATOM 192 NE ARG A 13 -2.242 14.543 0.213 1.00 0.00 N ATOM 193 CZ ARG A 13 -2.003 15.805 -0.167 1.00 0.00 C ATOM 194 NH1 ARG A 13 -0.748 16.277 -0.174 1.00 0.00 N ATOM 195 NH2 ARG A 13 -3.018 16.597 -0.540 1.00 0.00 N ATOM 0 H ARG A 13 -4.489 11.726 2.358 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.702 9.676 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.109 11.202 -0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.530 12.114 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.405 12.917 2.291 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.014 11.901 1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.426 14.117 1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.699 13.163 -0.231 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.208 14.217 0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.025 15.675 0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.566 17.238 -0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.973 16.239 -0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.835 17.558 -0.829 1.00 0.00 H new ATOM 206 N GLU A 14 -1.659 10.067 3.307 1.00 0.00 N ATOM 207 CA GLU A 14 -0.542 9.481 4.029 1.00 0.00 C ATOM 208 C GLU A 14 -0.857 8.033 4.410 1.00 0.00 C ATOM 209 O GLU A 14 -0.110 7.119 4.065 1.00 0.00 O ATOM 210 CB GLU A 14 -0.193 10.310 5.266 1.00 0.00 C ATOM 211 CG GLU A 14 1.274 10.117 5.659 1.00 0.00 C ATOM 212 CD GLU A 14 1.399 9.727 7.132 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.602 8.866 7.561 1.00 0.00 O ATOM 214 OE2 GLU A 14 2.291 10.300 7.796 1.00 0.00 O ATOM 0 H GLU A 14 -2.155 10.802 3.812 1.00 0.00 H new ATOM 0 HA GLU A 14 0.329 9.482 3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.384 11.365 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.837 10.020 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.723 9.344 5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.828 11.037 5.474 1.00 0.00 H new ATOM 219 N VAL A 15 -1.966 7.869 5.117 1.00 0.00 N ATOM 220 CA VAL A 15 -2.390 6.548 5.549 1.00 0.00 C ATOM 221 C VAL A 15 -2.853 5.743 4.333 1.00 0.00 C ATOM 222 O VAL A 15 -2.431 4.604 4.141 1.00 0.00 O ATOM 223 CB VAL A 15 -3.466 6.671 6.629 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.159 5.328 6.869 1.00 0.00 C ATOM 225 CG2 VAL A 15 -2.878 7.224 7.929 1.00 0.00 C ATOM 0 H VAL A 15 -2.584 8.629 5.401 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.557 6.008 5.999 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.217 7.377 6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.919 5.444 7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.629 4.991 5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.423 4.591 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.664 7.301 8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.097 6.554 8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.453 8.211 7.745 1.00 0.00 H new ATOM 235 N LEU A 16 -3.715 6.367 3.543 1.00 0.00 N ATOM 236 CA LEU A 16 -4.239 5.722 2.351 1.00 0.00 C ATOM 237 C LEU A 16 -3.090 5.069 1.581 1.00 0.00 C ATOM 238 O LEU A 16 -3.265 4.011 0.978 1.00 0.00 O ATOM 239 CB LEU A 16 -5.050 6.716 1.518 1.00 0.00 C ATOM 240 CG LEU A 16 -6.455 7.036 2.034 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.028 8.270 1.334 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.377 5.823 1.904 1.00 0.00 C ATOM 0 H LEU A 16 -4.063 7.312 3.705 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.933 4.926 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.488 7.648 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.137 6.324 0.505 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.383 7.272 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.027 8.476 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.383 9.128 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.083 8.087 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.369 6.078 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.448 5.531 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.972 4.994 2.485 1.00 0.00 H new ATOM 253 N GLU A 17 -1.941 5.725 1.629 1.00 0.00 N ATOM 254 CA GLU A 17 -0.762 5.221 0.943 1.00 0.00 C ATOM 255 C GLU A 17 -0.550 3.742 1.271 1.00 0.00 C ATOM 256 O GLU A 17 -0.440 2.913 0.368 1.00 0.00 O ATOM 257 CB GLU A 17 0.476 6.046 1.303 1.00 0.00 C ATOM 258 CG GLU A 17 1.228 6.483 0.045 1.00 0.00 C ATOM 259 CD GLU A 17 2.697 6.061 0.109 1.00 0.00 C ATOM 260 OE1 GLU A 17 3.249 6.094 1.231 1.00 0.00 O ATOM 261 OE2 GLU A 17 3.235 5.714 -0.964 1.00 0.00 O ATOM 0 H GLU A 17 -1.800 6.601 2.132 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.921 5.316 -0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.178 6.924 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.137 5.458 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.758 6.044 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.161 7.565 -0.065 1.00 0.00 H new ATOM 285 N ALA A 19 -2.571 1.583 2.387 1.00 0.00 N ATOM 286 CA ALA A 19 -3.892 0.996 2.535 1.00 0.00 C ATOM 287 C ALA A 19 -4.302 0.335 1.217 1.00 0.00 C ATOM 288 O ALA A 19 -5.452 -0.070 1.053 1.00 0.00 O ATOM 289 CB ALA A 19 -4.884 2.073 2.980 1.00 0.00 C ATOM 0 HA ALA A 19 -3.884 0.223 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.875 1.632 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.564 2.490 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.921 2.865 2.232 1.00 0.00 H new ATOM 295 N ARG A 20 -3.339 0.247 0.311 1.00 0.00 N ATOM 296 CA ARG A 20 -3.586 -0.358 -0.987 1.00 0.00 C ATOM 297 C ARG A 20 -2.684 -1.577 -1.184 1.00 0.00 C ATOM 298 O ARG A 20 -3.119 -2.594 -1.724 1.00 0.00 O ATOM 299 CB ARG A 20 -3.334 0.643 -2.117 1.00 0.00 C ATOM 300 CG ARG A 20 -4.479 1.652 -2.223 1.00 0.00 C ATOM 301 CD ARG A 20 -5.466 1.248 -3.319 1.00 0.00 C ATOM 302 NE ARG A 20 -6.833 1.683 -2.957 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.821 1.875 -3.842 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.599 1.672 -5.148 1.00 0.00 N ATOM 305 NH2 ARG A 20 -9.030 2.271 -3.420 1.00 0.00 N ATOM 0 H ARG A 20 -2.387 0.584 0.450 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.631 -0.667 -1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.396 1.169 -1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.226 0.110 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.999 1.719 -1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.077 2.642 -2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.172 1.697 -4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.445 0.167 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.036 1.847 -1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.678 1.371 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.351 1.818 -5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.198 2.426 -2.426 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.782 2.417 -4.093 1.00 0.00 H new ATOM 316 N ALA A 21 -1.446 -1.438 -0.734 1.00 0.00 N ATOM 317 CA ALA A 21 -0.480 -2.516 -0.855 1.00 0.00 C ATOM 318 C ALA A 21 -0.930 -3.696 0.007 1.00 0.00 C ATOM 319 O ALA A 21 -0.842 -4.848 -0.416 1.00 0.00 O ATOM 320 CB ALA A 21 0.908 -2.004 -0.464 1.00 0.00 C ATOM 0 H ALA A 21 -1.090 -0.595 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.420 -2.864 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.633 -2.813 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.193 -1.185 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.888 -1.649 0.566 1.00 0.00 H new ATOM 326 N GLU A 22 -1.402 -3.370 1.201 1.00 0.00 N ATOM 327 CA GLU A 22 -1.866 -4.390 2.127 1.00 0.00 C ATOM 328 C GLU A 22 -3.130 -5.062 1.585 1.00 0.00 C ATOM 329 O GLU A 22 -3.496 -6.150 2.027 1.00 0.00 O ATOM 330 CB GLU A 22 -2.112 -3.799 3.516 1.00 0.00 C ATOM 331 CG GLU A 22 -1.386 -4.609 4.592 1.00 0.00 C ATOM 332 CD GLU A 22 -1.221 -3.791 5.875 1.00 0.00 C ATOM 333 OE1 GLU A 22 -0.293 -2.954 5.900 1.00 0.00 O ATOM 334 OE2 GLU A 22 -2.027 -4.022 6.803 1.00 0.00 O ATOM 0 H GLU A 22 -1.473 -2.414 1.549 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.088 -5.147 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.769 -2.765 3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.182 -3.786 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.945 -5.520 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.407 -4.916 4.223 1.00 0.00 H new ATOM 339 N GLN A 23 -3.762 -4.386 0.638 1.00 0.00 N ATOM 340 CA GLN A 23 -4.977 -4.904 0.033 1.00 0.00 C ATOM 341 C GLN A 23 -4.650 -5.639 -1.269 1.00 0.00 C ATOM 342 O GLN A 23 -5.483 -5.713 -2.170 1.00 0.00 O ATOM 343 CB GLN A 23 -5.989 -3.783 -0.212 1.00 0.00 C ATOM 344 CG GLN A 23 -6.786 -3.478 1.059 1.00 0.00 C ATOM 345 CD GLN A 23 -8.223 -3.076 0.721 1.00 0.00 C ATOM 346 OE1 GLN A 23 -9.179 -3.505 1.348 1.00 0.00 O ATOM 347 NE2 GLN A 23 -8.322 -2.229 -0.299 1.00 0.00 N ATOM 0 H GLN A 23 -3.456 -3.484 0.274 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.430 -5.614 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.469 -2.885 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.670 -4.071 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.793 -4.354 1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.300 -2.675 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.481 -1.910 -0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.239 -1.899 -0.600 1.00 0.00 H new ATOM 354 N LEU A 24 -3.434 -6.163 -1.326 1.00 0.00 N ATOM 355 CA LEU A 24 -2.986 -6.890 -2.501 1.00 0.00 C ATOM 356 C LEU A 24 -1.588 -7.457 -2.243 1.00 0.00 C ATOM 357 O LEU A 24 -0.758 -7.504 -3.149 1.00 0.00 O ATOM 358 CB LEU A 24 -3.070 -6.002 -3.744 1.00 0.00 C ATOM 359 CG LEU A 24 -1.797 -5.233 -4.105 1.00 0.00 C ATOM 360 CD1 LEU A 24 -1.132 -5.826 -5.349 1.00 0.00 C ATOM 361 CD2 LEU A 24 -2.086 -3.739 -4.268 1.00 0.00 C ATOM 0 H LEU A 24 -2.745 -6.098 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.642 -7.738 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.348 -6.626 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.876 -5.283 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.091 -5.337 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.230 -5.261 -5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.869 -6.867 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.822 -5.773 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.165 -3.216 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.818 -3.595 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.481 -3.341 -3.333 1.00 0.00 H new ATOM 372 N ALA A 25 -1.374 -7.874 -1.004 1.00 0.00 N ATOM 373 CA ALA A 25 -0.092 -8.437 -0.616 1.00 0.00 C ATOM 374 C ALA A 25 -0.089 -8.698 0.892 1.00 0.00 C ATOM 375 O ALA A 25 0.809 -8.249 1.602 1.00 0.00 O ATOM 376 CB ALA A 25 1.032 -7.491 -1.045 1.00 0.00 C ATOM 0 H ALA A 25 -2.066 -7.833 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 25 0.075 -9.391 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.994 -7.913 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.005 -7.361 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.899 -6.524 -0.560 1.00 0.00 H new