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 71:sc= 0.11 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0295 K(o=-0.03,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 -2.269 21.114 1.538 1.00 0.00 N ATOM 81 CA LEU A 7 -1.441 20.118 2.197 1.00 0.00 C ATOM 82 C LEU A 7 -2.337 19.050 2.825 1.00 0.00 C ATOM 83 O LEU A 7 -1.845 18.093 3.422 1.00 0.00 O ATOM 84 CB LEU A 7 -0.491 20.788 3.194 1.00 0.00 C ATOM 85 CG LEU A 7 1.004 20.586 2.934 1.00 0.00 C ATOM 86 CD1 LEU A 7 1.754 21.918 2.992 1.00 0.00 C ATOM 87 CD2 LEU A 7 1.594 19.553 3.896 1.00 0.00 C ATOM 0 HA LEU A 7 -0.803 19.612 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.697 21.858 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.720 20.414 4.192 1.00 0.00 H new ATOM 0 HG LEU A 7 1.125 20.191 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.814 21.747 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.355 22.593 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.628 22.364 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.657 19.429 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.461 19.894 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.085 18.599 3.762 1.00 0.00 H new ATOM 98 N THR A 8 -3.638 19.248 2.670 1.00 0.00 N ATOM 99 CA THR A 8 -4.608 18.313 3.213 1.00 0.00 C ATOM 100 C THR A 8 -5.048 17.316 2.140 1.00 0.00 C ATOM 101 O THR A 8 -4.951 16.106 2.335 1.00 0.00 O ATOM 102 CB THR A 8 -5.765 19.121 3.802 1.00 0.00 C ATOM 103 OG1 THR A 8 -5.694 20.374 3.126 1.00 0.00 O ATOM 104 CG2 THR A 8 -5.541 19.480 5.273 1.00 0.00 C ATOM 0 H THR A 8 -4.043 20.043 2.176 1.00 0.00 H new ATOM 0 HA THR A 8 -4.173 17.712 4.011 1.00 0.00 H new ATOM 0 HB THR A 8 -6.690 18.553 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.968 20.258 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.392 20.053 5.641 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.438 18.567 5.859 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.634 20.076 5.368 1.00 0.00 H new ATOM 132 N HIS A 10 -3.644 16.439 -0.181 1.00 0.00 N ATOM 133 CA HIS A 10 -2.493 15.635 -0.558 1.00 0.00 C ATOM 134 C HIS A 10 -2.327 14.481 0.432 1.00 0.00 C ATOM 135 O HIS A 10 -1.609 13.521 0.155 1.00 0.00 O ATOM 136 CB HIS A 10 -1.238 16.504 -0.672 1.00 0.00 C ATOM 137 CG HIS A 10 -0.347 16.145 -1.837 1.00 0.00 C ATOM 138 ND1 HIS A 10 -0.598 16.566 -3.131 1.00 0.00 N ATOM 139 CD2 HIS A 10 0.795 15.400 -1.889 1.00 0.00 C ATOM 140 CE1 HIS A 10 0.356 16.090 -3.919 1.00 0.00 C ATOM 141 NE2 HIS A 10 1.218 15.368 -3.146 1.00 0.00 N ATOM 0 HA HIS A 10 -2.655 15.201 -1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.538 17.548 -0.765 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.664 16.419 0.251 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.273 14.918 -1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.437 16.246 -4.985 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.051 14.883 -3.480 1.00 0.00 H new ATOM 149 N LEU A 11 -3.002 14.612 1.564 1.00 0.00 N ATOM 150 CA LEU A 11 -2.938 13.592 2.596 1.00 0.00 C ATOM 151 C LEU A 11 -3.636 12.324 2.098 1.00 0.00 C ATOM 152 O LEU A 11 -3.403 11.237 2.622 1.00 0.00 O ATOM 153 CB LEU A 11 -3.501 14.126 3.914 1.00 0.00 C ATOM 154 CG LEU A 11 -2.755 15.312 4.530 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.439 15.782 5.815 1.00 0.00 C ATOM 156 CD2 LEU A 11 -1.281 14.974 4.756 1.00 0.00 C ATOM 0 H LEU A 11 -3.596 15.410 1.789 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.902 13.326 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.538 14.419 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.510 13.312 4.639 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.790 16.142 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.889 16.625 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.461 16.090 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.455 14.966 6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.774 15.833 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.202 14.123 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.815 14.725 3.803 1.00 0.00 H new ATOM 167 N LEU A 12 -4.480 12.508 1.093 1.00 0.00 N ATOM 168 CA LEU A 12 -5.213 11.394 0.519 1.00 0.00 C ATOM 169 C LEU A 12 -4.223 10.365 -0.029 1.00 0.00 C ATOM 170 O LEU A 12 -4.307 9.182 0.297 1.00 0.00 O ATOM 171 CB LEU A 12 -6.220 11.893 -0.520 1.00 0.00 C ATOM 172 CG LEU A 12 -5.629 12.392 -1.840 1.00 0.00 C ATOM 173 CD1 LEU A 12 -5.206 11.222 -2.730 1.00 0.00 C ATOM 174 CD2 LEU A 12 -6.602 13.333 -2.555 1.00 0.00 C ATOM 0 H LEU A 12 -4.672 13.412 0.662 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.803 10.892 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.917 11.084 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.800 12.702 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.730 12.966 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.790 11.605 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.453 10.626 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.074 10.600 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.158 13.673 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.531 12.804 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.811 14.193 -1.918 1.00 0.00 H new ATOM 185 N ARG A 13 -3.308 10.852 -0.854 1.00 0.00 N ATOM 186 CA ARG A 13 -2.301 9.991 -1.451 1.00 0.00 C ATOM 187 C ARG A 13 -1.355 9.454 -0.374 1.00 0.00 C ATOM 188 O ARG A 13 -0.953 8.292 -0.420 1.00 0.00 O ATOM 189 CB ARG A 13 -1.488 10.741 -2.507 1.00 0.00 C ATOM 190 CG ARG A 13 -0.223 9.966 -2.879 1.00 0.00 C ATOM 191 CD ARG A 13 -0.073 9.859 -4.398 1.00 0.00 C ATOM 192 NE ARG A 13 0.558 8.569 -4.755 1.00 0.00 N ATOM 193 CZ ARG A 13 -0.098 7.401 -4.811 1.00 0.00 C ATOM 194 NH1 ARG A 13 -1.408 7.355 -4.534 1.00 0.00 N ATOM 195 NH2 ARG A 13 0.556 6.281 -5.144 1.00 0.00 N ATOM 0 H ARG A 13 -3.243 11.834 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.819 9.161 -1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.098 10.897 -3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.217 11.727 -2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.650 10.464 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.262 8.968 -2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.050 9.940 -4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.533 10.685 -4.771 1.00 0.00 H new ATOM 0 HE ARG A 13 1.555 8.568 -4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.906 8.208 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.907 6.467 -4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.553 6.316 -5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.057 5.392 -5.187 1.00 0.00 H new ATOM 206 N GLU A 14 -1.029 10.326 0.569 1.00 0.00 N ATOM 207 CA GLU A 14 -0.138 9.954 1.656 1.00 0.00 C ATOM 208 C GLU A 14 -0.790 8.884 2.534 1.00 0.00 C ATOM 209 O GLU A 14 -0.198 7.834 2.782 1.00 0.00 O ATOM 210 CB GLU A 14 0.256 11.178 2.484 1.00 0.00 C ATOM 211 CG GLU A 14 1.606 10.962 3.172 1.00 0.00 C ATOM 212 CD GLU A 14 1.544 11.383 4.642 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.730 10.777 5.372 1.00 0.00 O ATOM 214 OE2 GLU A 14 2.313 12.300 5.002 1.00 0.00 O ATOM 0 H GLU A 14 -1.365 11.288 0.603 1.00 0.00 H new ATOM 0 HA GLU A 14 0.774 9.538 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.308 12.056 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.510 11.377 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.890 9.912 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.377 11.536 2.658 1.00 0.00 H new ATOM 219 N VAL A 15 -2.000 9.187 2.980 1.00 0.00 N ATOM 220 CA VAL A 15 -2.739 8.264 3.826 1.00 0.00 C ATOM 221 C VAL A 15 -3.054 6.995 3.033 1.00 0.00 C ATOM 222 O VAL A 15 -2.824 5.885 3.514 1.00 0.00 O ATOM 223 CB VAL A 15 -3.989 8.949 4.381 1.00 0.00 C ATOM 224 CG1 VAL A 15 -5.194 8.711 3.469 1.00 0.00 C ATOM 225 CG2 VAL A 15 -4.281 8.485 5.809 1.00 0.00 C ATOM 0 H VAL A 15 -2.488 10.058 2.772 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.138 7.969 4.686 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.798 10.022 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.070 9.208 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.985 9.114 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.387 7.641 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.175 8.987 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.442 7.407 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.435 8.730 6.451 1.00 0.00 H new ATOM 235 N LEU A 16 -3.576 7.199 1.832 1.00 0.00 N ATOM 236 CA LEU A 16 -3.925 6.084 0.969 1.00 0.00 C ATOM 237 C LEU A 16 -2.846 5.005 1.073 1.00 0.00 C ATOM 238 O LEU A 16 -3.155 3.816 1.142 1.00 0.00 O ATOM 239 CB LEU A 16 -4.172 6.571 -0.461 1.00 0.00 C ATOM 240 CG LEU A 16 -5.593 7.044 -0.772 1.00 0.00 C ATOM 241 CD1 LEU A 16 -5.629 7.855 -2.068 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.569 5.866 -0.805 1.00 0.00 C ATOM 0 H LEU A 16 -3.765 8.120 1.437 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.861 5.630 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.484 7.391 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.921 5.762 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.916 7.706 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.651 8.179 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.984 8.728 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.278 7.237 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.572 6.230 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.260 5.159 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.571 5.368 0.165 1.00 0.00 H new ATOM 253 N GLU A 17 -1.601 5.457 1.083 1.00 0.00 N ATOM 254 CA GLU A 17 -0.473 4.546 1.179 1.00 0.00 C ATOM 255 C GLU A 17 -0.794 3.404 2.144 1.00 0.00 C ATOM 256 O GLU A 17 -0.734 2.234 1.769 1.00 0.00 O ATOM 257 CB GLU A 17 0.795 5.286 1.606 1.00 0.00 C ATOM 258 CG GLU A 17 1.232 6.289 0.537 1.00 0.00 C ATOM 259 CD GLU A 17 2.721 6.616 0.667 1.00 0.00 C ATOM 260 OE1 GLU A 17 3.529 5.766 0.234 1.00 0.00 O ATOM 261 OE2 GLU A 17 3.019 7.709 1.197 1.00 0.00 O ATOM 0 H GLU A 17 -1.348 6.444 1.026 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.290 4.120 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.617 5.807 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.596 4.569 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.031 5.881 -0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.646 7.203 0.630 1.00 0.00 H new ATOM 285 N ALA A 19 -3.007 0.962 4.512 1.00 0.00 N ATOM 286 CA ALA A 19 -4.284 0.286 4.356 1.00 0.00 C ATOM 287 C ALA A 19 -4.416 -0.218 2.918 1.00 0.00 C ATOM 288 O ALA A 19 -5.370 -0.921 2.588 1.00 0.00 O ATOM 289 CB ALA A 19 -5.415 1.239 4.746 1.00 0.00 C ATOM 0 HA ALA A 19 -4.344 -0.580 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.373 0.733 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.291 1.546 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.388 2.118 4.102 1.00 0.00 H new ATOM 295 N ARG A 20 -3.445 0.160 2.099 1.00 0.00 N ATOM 296 CA ARG A 20 -3.442 -0.244 0.704 1.00 0.00 C ATOM 297 C ARG A 20 -2.444 -1.384 0.485 1.00 0.00 C ATOM 298 O ARG A 20 -2.707 -2.303 -0.287 1.00 0.00 O ATOM 299 CB ARG A 20 -3.076 0.927 -0.209 1.00 0.00 C ATOM 300 CG ARG A 20 -4.309 1.772 -0.538 1.00 0.00 C ATOM 301 CD ARG A 20 -4.955 1.313 -1.847 1.00 0.00 C ATOM 302 NE ARG A 20 -6.390 1.027 -1.631 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.142 0.289 -2.458 1.00 0.00 C ATOM 304 NH1 ARG A 20 -6.599 -0.241 -3.562 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.437 0.083 -2.182 1.00 0.00 N ATOM 0 H ARG A 20 -2.655 0.742 2.376 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.448 -0.582 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.323 1.549 0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.633 0.550 -1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.032 1.698 0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.025 2.821 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.840 2.084 -2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.450 0.421 -2.218 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.835 1.416 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.614 -0.082 -3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.171 -0.803 -4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.850 0.488 -1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.010 -0.479 -2.812 1.00 0.00 H new ATOM 316 N ALA A 21 -1.320 -1.284 1.178 1.00 0.00 N ATOM 317 CA ALA A 21 -0.280 -2.294 1.069 1.00 0.00 C ATOM 318 C ALA A 21 -0.809 -3.623 1.613 1.00 0.00 C ATOM 319 O ALA A 21 -0.731 -4.648 0.938 1.00 0.00 O ATOM 320 CB ALA A 21 0.973 -1.819 1.806 1.00 0.00 C ATOM 0 H ALA A 21 -1.106 -0.519 1.818 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.004 -2.450 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.752 -2.577 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.325 -0.887 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.736 -1.654 2.857 1.00 0.00 H new ATOM 326 N GLU A 22 -1.334 -3.562 2.828 1.00 0.00 N ATOM 327 CA GLU A 22 -1.875 -4.748 3.470 1.00 0.00 C ATOM 328 C GLU A 22 -3.123 -5.229 2.730 1.00 0.00 C ATOM 329 O GLU A 22 -3.636 -6.312 3.008 1.00 0.00 O ATOM 330 CB GLU A 22 -2.181 -4.481 4.945 1.00 0.00 C ATOM 331 CG GLU A 22 -3.493 -3.711 5.103 1.00 0.00 C ATOM 332 CD GLU A 22 -3.751 -3.361 6.569 1.00 0.00 C ATOM 333 OE1 GLU A 22 -3.038 -2.466 7.074 1.00 0.00 O ATOM 334 OE2 GLU A 22 -4.655 -3.996 7.154 1.00 0.00 O ATOM 0 H GLU A 22 -1.396 -2.710 3.385 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.124 -5.536 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.243 -5.426 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.366 -3.912 5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.457 -2.798 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.319 -4.309 4.718 1.00 0.00 H new ATOM 339 N GLN A 23 -3.578 -4.401 1.801 1.00 0.00 N ATOM 340 CA GLN A 23 -4.757 -4.729 1.018 1.00 0.00 C ATOM 341 C GLN A 23 -4.354 -5.167 -0.392 1.00 0.00 C ATOM 342 O GLN A 23 -5.128 -5.020 -1.336 1.00 0.00 O ATOM 343 CB GLN A 23 -5.729 -3.548 0.968 1.00 0.00 C ATOM 344 CG GLN A 23 -7.057 -3.957 0.330 1.00 0.00 C ATOM 345 CD GLN A 23 -7.491 -2.944 -0.731 1.00 0.00 C ATOM 346 OE1 GLN A 23 -8.513 -2.288 -0.619 1.00 0.00 O ATOM 347 NE2 GLN A 23 -6.660 -2.855 -1.765 1.00 0.00 N ATOM 0 H GLN A 23 -3.151 -3.503 1.573 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.270 -5.559 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.906 -3.175 1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.285 -2.731 0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.958 -4.944 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.825 -4.035 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.821 -3.434 -1.796 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.862 -2.208 -2.527 1.00 0.00 H new ATOM 354 N LEU A 24 -3.143 -5.697 -0.490 1.00 0.00 N ATOM 355 CA LEU A 24 -2.628 -6.157 -1.767 1.00 0.00 C ATOM 356 C LEU A 24 -1.265 -6.817 -1.555 1.00 0.00 C ATOM 357 O LEU A 24 -0.373 -6.694 -2.394 1.00 0.00 O ATOM 358 CB LEU A 24 -2.605 -5.010 -2.780 1.00 0.00 C ATOM 359 CG LEU A 24 -1.654 -3.855 -2.464 1.00 0.00 C ATOM 360 CD1 LEU A 24 -0.270 -4.104 -3.068 1.00 0.00 C ATOM 361 CD2 LEU A 24 -2.245 -2.519 -2.916 1.00 0.00 C ATOM 0 H LEU A 24 -2.504 -5.818 0.296 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.286 -6.914 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.338 -5.418 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.615 -4.609 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.529 -3.802 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.387 -3.268 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.147 -5.023 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.357 -4.199 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.549 -1.714 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.419 -2.544 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.189 -2.345 -2.399 1.00 0.00 H new ATOM 372 N ALA A 25 -1.143 -7.502 -0.428 1.00 0.00 N ATOM 373 CA ALA A 25 0.097 -8.182 -0.095 1.00 0.00 C ATOM 374 C ALA A 25 -0.210 -9.390 0.793 1.00 0.00 C ATOM 375 O ALA A 25 0.500 -9.648 1.762 1.00 0.00 O ATOM 376 CB ALA A 25 1.055 -7.195 0.576 1.00 0.00 C ATOM 0 H ALA A 25 -1.883 -7.601 0.267 1.00 0.00 H new ATOM 0 HA ALA A 25 0.586 -8.552 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.986 -7.704 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.264 -6.371 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.598 -6.806 1.486 1.00 0.00 H new