USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 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=-0.092) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.95 F(o=-2.2!,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 -4.305 19.885 6.733 1.00 0.00 N ATOM 81 CA LEU A 7 -3.649 18.593 6.841 1.00 0.00 C ATOM 82 C LEU A 7 -4.446 17.553 6.052 1.00 0.00 C ATOM 83 O LEU A 7 -4.544 16.398 6.463 1.00 0.00 O ATOM 84 CB LEU A 7 -3.438 18.221 8.311 1.00 0.00 C ATOM 85 CG LEU A 7 -2.286 18.932 9.023 1.00 0.00 C ATOM 86 CD1 LEU A 7 -2.397 18.770 10.541 1.00 0.00 C ATOM 87 CD2 LEU A 7 -0.934 18.453 8.493 1.00 0.00 C ATOM 0 HA LEU A 7 -2.653 18.633 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.359 18.431 8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.269 17.146 8.373 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.357 19.998 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.566 19.285 11.024 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.338 19.199 10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.366 17.711 10.797 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.133 18.975 9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.838 17.380 8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.867 18.663 7.425 1.00 0.00 H new ATOM 98 N THR A 8 -4.994 18.000 4.931 1.00 0.00 N ATOM 99 CA THR A 8 -5.780 17.122 4.081 1.00 0.00 C ATOM 100 C THR A 8 -4.905 16.530 2.974 1.00 0.00 C ATOM 101 O THR A 8 -4.912 15.320 2.754 1.00 0.00 O ATOM 102 CB THR A 8 -6.973 17.921 3.551 1.00 0.00 C ATOM 103 OG1 THR A 8 -7.815 18.083 4.689 1.00 0.00 O ATOM 104 CG2 THR A 8 -7.825 17.116 2.567 1.00 0.00 C ATOM 0 H THR A 8 -4.909 18.958 4.592 1.00 0.00 H new ATOM 0 HA THR A 8 -6.164 16.269 4.640 1.00 0.00 H new ATOM 0 HB THR A 8 -6.616 18.828 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.613 18.593 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.658 17.728 2.221 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.214 16.820 1.714 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.211 16.226 3.064 1.00 0.00 H new ATOM 132 N HIS A 10 -2.118 15.782 2.951 1.00 0.00 N ATOM 133 CA HIS A 10 -1.295 14.720 3.503 1.00 0.00 C ATOM 134 C HIS A 10 -2.012 13.378 3.338 1.00 0.00 C ATOM 135 O HIS A 10 -1.369 12.331 3.269 1.00 0.00 O ATOM 136 CB HIS A 10 -0.924 15.019 4.957 1.00 0.00 C ATOM 137 CG HIS A 10 0.221 15.992 5.110 1.00 0.00 C ATOM 138 ND1 HIS A 10 0.317 17.159 4.372 1.00 0.00 N ATOM 139 CD2 HIS A 10 1.315 15.960 5.923 1.00 0.00 C ATOM 140 CE1 HIS A 10 1.424 17.792 4.733 1.00 0.00 C ATOM 141 NE2 HIS A 10 2.041 17.047 5.694 1.00 0.00 N ATOM 0 HA HIS A 10 -0.355 14.661 2.955 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.799 15.419 5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.663 14.085 5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.551 15.181 6.633 1.00 0.00 H new ATOM 0 HE1 HIS A 10 1.776 18.733 4.336 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.916 17.286 6.160 1.00 0.00 H new ATOM 149 N LEU A 11 -3.334 13.452 3.280 1.00 0.00 N ATOM 150 CA LEU A 11 -4.144 12.256 3.125 1.00 0.00 C ATOM 151 C LEU A 11 -3.950 11.693 1.716 1.00 0.00 C ATOM 152 O LEU A 11 -4.262 10.531 1.460 1.00 0.00 O ATOM 153 CB LEU A 11 -5.604 12.550 3.474 1.00 0.00 C ATOM 154 CG LEU A 11 -5.845 13.260 4.808 1.00 0.00 C ATOM 155 CD1 LEU A 11 -7.308 13.686 4.947 1.00 0.00 C ATOM 156 CD2 LEU A 11 -5.387 12.391 5.982 1.00 0.00 C ATOM 0 H LEU A 11 -3.864 14.322 3.338 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.822 11.484 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.031 13.160 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.152 11.608 3.482 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.243 14.168 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.451 14.188 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.567 14.368 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.949 12.806 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.569 12.919 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.943 11.454 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.322 12.181 5.885 1.00 0.00 H new ATOM 167 N LEU A 12 -3.437 12.543 0.839 1.00 0.00 N ATOM 168 CA LEU A 12 -3.199 12.145 -0.538 1.00 0.00 C ATOM 169 C LEU A 12 -1.740 11.709 -0.693 1.00 0.00 C ATOM 170 O LEU A 12 -1.023 12.222 -1.549 1.00 0.00 O ATOM 171 CB LEU A 12 -3.611 13.262 -1.499 1.00 0.00 C ATOM 172 CG LEU A 12 -5.073 13.705 -1.422 1.00 0.00 C ATOM 173 CD1 LEU A 12 -5.310 14.961 -2.264 1.00 0.00 C ATOM 174 CD2 LEU A 12 -6.013 12.565 -1.818 1.00 0.00 C ATOM 0 H LEU A 12 -3.179 13.506 1.055 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.819 11.287 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.978 14.129 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.404 12.933 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.298 13.963 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.357 15.255 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.680 15.770 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.062 14.753 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.046 12.907 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.796 12.253 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.868 11.722 -1.142 1.00 0.00 H new ATOM 185 N ARG A 13 -1.345 10.766 0.150 1.00 0.00 N ATOM 186 CA ARG A 13 0.014 10.255 0.118 1.00 0.00 C ATOM 187 C ARG A 13 0.300 9.425 1.370 1.00 0.00 C ATOM 188 O ARG A 13 1.087 8.480 1.328 1.00 0.00 O ATOM 189 CB ARG A 13 1.029 11.396 0.028 1.00 0.00 C ATOM 190 CG ARG A 13 0.663 12.532 0.985 1.00 0.00 C ATOM 191 CD ARG A 13 1.807 13.541 1.102 1.00 0.00 C ATOM 192 NE ARG A 13 2.912 12.963 1.900 1.00 0.00 N ATOM 193 CZ ARG A 13 4.177 13.406 1.862 1.00 0.00 C ATOM 194 NH1 ARG A 13 4.504 14.434 1.067 1.00 0.00 N ATOM 195 NH2 ARG A 13 5.114 12.821 2.620 1.00 0.00 N ATOM 0 H ARG A 13 -1.943 10.343 0.860 1.00 0.00 H new ATOM 0 HA ARG A 13 0.111 9.627 -0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.025 11.022 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.067 11.774 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.236 13.036 0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.432 12.123 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.167 13.812 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.449 14.457 1.572 1.00 0.00 H new ATOM 0 HE ARG A 13 2.698 12.179 2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.790 14.880 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.466 14.771 1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.865 12.039 3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.076 13.158 2.591 1.00 0.00 H new ATOM 206 N GLU A 14 -0.355 9.808 2.457 1.00 0.00 N ATOM 207 CA GLU A 14 -0.182 9.110 3.720 1.00 0.00 C ATOM 208 C GLU A 14 -1.164 7.940 3.819 1.00 0.00 C ATOM 209 O GLU A 14 -0.783 6.838 4.210 1.00 0.00 O ATOM 210 CB GLU A 14 -0.350 10.067 4.902 1.00 0.00 C ATOM 211 CG GLU A 14 0.877 10.969 5.054 1.00 0.00 C ATOM 212 CD GLU A 14 1.872 10.379 6.055 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.659 10.603 7.266 1.00 0.00 O ATOM 214 OE2 GLU A 14 2.823 9.716 5.587 1.00 0.00 O ATOM 0 H GLU A 14 -1.006 10.592 2.489 1.00 0.00 H new ATOM 0 HA GLU A 14 0.832 8.712 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.240 10.679 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.502 9.496 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.362 11.095 4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.566 11.959 5.386 1.00 0.00 H new ATOM 219 N VAL A 15 -2.407 8.220 3.459 1.00 0.00 N ATOM 220 CA VAL A 15 -3.446 7.205 3.502 1.00 0.00 C ATOM 221 C VAL A 15 -3.342 6.321 2.258 1.00 0.00 C ATOM 222 O VAL A 15 -3.854 5.202 2.241 1.00 0.00 O ATOM 223 CB VAL A 15 -4.818 7.866 3.654 1.00 0.00 C ATOM 224 CG1 VAL A 15 -5.930 6.816 3.697 1.00 0.00 C ATOM 225 CG2 VAL A 15 -4.861 8.762 4.894 1.00 0.00 C ATOM 0 H VAL A 15 -2.719 9.136 3.136 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.313 6.560 4.370 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.985 8.496 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.895 7.312 3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.921 6.238 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.768 6.149 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.847 9.219 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.662 8.163 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.105 9.542 4.805 1.00 0.00 H new ATOM 235 N LEU A 16 -2.676 6.857 1.245 1.00 0.00 N ATOM 236 CA LEU A 16 -2.499 6.131 -0.002 1.00 0.00 C ATOM 237 C LEU A 16 -1.260 5.239 0.106 1.00 0.00 C ATOM 238 O LEU A 16 -1.060 4.348 -0.719 1.00 0.00 O ATOM 239 CB LEU A 16 -2.459 7.100 -1.184 1.00 0.00 C ATOM 240 CG LEU A 16 -3.690 7.989 -1.366 1.00 0.00 C ATOM 241 CD1 LEU A 16 -3.400 9.139 -2.332 1.00 0.00 C ATOM 242 CD2 LEU A 16 -4.902 7.164 -1.804 1.00 0.00 C ATOM 0 H LEU A 16 -2.253 7.785 1.262 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.350 5.475 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.585 7.742 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.315 6.522 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.934 8.434 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.292 9.755 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.586 9.748 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.115 8.735 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.764 7.820 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.684 6.671 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.123 6.412 -1.047 1.00 0.00 H new ATOM 253 N GLU A 17 -0.463 5.508 1.128 1.00 0.00 N ATOM 254 CA GLU A 17 0.751 4.741 1.354 1.00 0.00 C ATOM 255 C GLU A 17 0.434 3.468 2.140 1.00 0.00 C ATOM 256 O GLU A 17 1.104 2.449 1.975 1.00 0.00 O ATOM 257 CB GLU A 17 1.806 5.582 2.073 1.00 0.00 C ATOM 258 CG GLU A 17 3.000 5.864 1.158 1.00 0.00 C ATOM 259 CD GLU A 17 4.318 5.748 1.926 1.00 0.00 C ATOM 260 OE1 GLU A 17 4.294 6.037 3.143 1.00 0.00 O ATOM 261 OE2 GLU A 17 5.320 5.373 1.280 1.00 0.00 O ATOM 0 H GLU A 17 -0.633 6.247 1.810 1.00 0.00 H new ATOM 0 HA GLU A 17 1.162 4.455 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.364 6.523 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.144 5.060 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.998 5.162 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.909 6.864 0.733 1.00 0.00 H new ATOM 285 N ALA A 19 -2.954 1.078 4.173 1.00 0.00 N ATOM 286 CA ALA A 19 -4.373 0.769 4.190 1.00 0.00 C ATOM 287 C ALA A 19 -4.861 0.547 2.757 1.00 0.00 C ATOM 288 O ALA A 19 -6.054 0.366 2.524 1.00 0.00 O ATOM 289 CB ALA A 19 -5.132 1.894 4.896 1.00 0.00 C ATOM 0 HA ALA A 19 -4.558 -0.150 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.197 1.662 4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.769 1.991 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.971 2.831 4.364 1.00 0.00 H new ATOM 295 N ARG A 20 -3.910 0.566 1.833 1.00 0.00 N ATOM 296 CA ARG A 20 -4.227 0.368 0.429 1.00 0.00 C ATOM 297 C ARG A 20 -3.540 -0.893 -0.097 1.00 0.00 C ATOM 298 O ARG A 20 -4.118 -1.633 -0.892 1.00 0.00 O ATOM 299 CB ARG A 20 -3.785 1.569 -0.409 1.00 0.00 C ATOM 300 CG ARG A 20 -4.691 2.777 -0.157 1.00 0.00 C ATOM 301 CD ARG A 20 -5.452 3.165 -1.427 1.00 0.00 C ATOM 302 NE ARG A 20 -6.842 2.661 -1.359 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.621 2.458 -2.430 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.152 2.715 -3.658 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.870 1.998 -2.273 1.00 0.00 N ATOM 0 H ARG A 20 -2.920 0.715 2.030 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.308 0.259 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.754 1.826 -0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.808 1.307 -1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.399 2.546 0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.092 3.621 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.455 4.249 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.950 2.753 -2.302 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.231 2.455 -0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.202 3.065 -3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.745 2.560 -4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.228 1.802 -1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.463 1.844 -3.089 1.00 0.00 H new ATOM 316 N ALA A 21 -2.317 -1.100 0.367 1.00 0.00 N ATOM 317 CA ALA A 21 -1.544 -2.258 -0.048 1.00 0.00 C ATOM 318 C ALA A 21 -1.725 -3.379 0.978 1.00 0.00 C ATOM 319 O ALA A 21 -1.439 -4.540 0.689 1.00 0.00 O ATOM 320 CB ALA A 21 -0.078 -1.859 -0.223 1.00 0.00 C ATOM 0 H ALA A 21 -1.842 -0.485 1.027 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.896 -2.630 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.501 -2.728 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.001 -1.081 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.312 -1.483 0.723 1.00 0.00 H new ATOM 326 N GLU A 22 -2.198 -2.992 2.153 1.00 0.00 N ATOM 327 CA GLU A 22 -2.420 -3.950 3.223 1.00 0.00 C ATOM 328 C GLU A 22 -3.518 -4.939 2.830 1.00 0.00 C ATOM 329 O GLU A 22 -3.601 -6.033 3.386 1.00 0.00 O ATOM 330 CB GLU A 22 -2.766 -3.238 4.533 1.00 0.00 C ATOM 331 CG GLU A 22 -2.881 -4.237 5.686 1.00 0.00 C ATOM 332 CD GLU A 22 -2.750 -3.533 7.037 1.00 0.00 C ATOM 333 OE1 GLU A 22 -3.679 -2.767 7.371 1.00 0.00 O ATOM 334 OE2 GLU A 22 -1.722 -3.776 7.707 1.00 0.00 O ATOM 0 H GLU A 22 -2.434 -2.028 2.388 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.497 -4.507 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.999 -2.499 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.706 -2.698 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.840 -4.751 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.106 -4.997 5.592 1.00 0.00 H new ATOM 339 N GLN A 23 -4.334 -4.520 1.874 1.00 0.00 N ATOM 340 CA GLN A 23 -5.424 -5.356 1.400 1.00 0.00 C ATOM 341 C GLN A 23 -5.157 -5.813 -0.036 1.00 0.00 C ATOM 342 O GLN A 23 -6.087 -5.963 -0.826 1.00 0.00 O ATOM 343 CB GLN A 23 -6.762 -4.622 1.501 1.00 0.00 C ATOM 344 CG GLN A 23 -6.791 -3.403 0.577 1.00 0.00 C ATOM 345 CD GLN A 23 -7.480 -2.217 1.254 1.00 0.00 C ATOM 346 OE1 GLN A 23 -7.017 -1.944 2.471 1.00 0.00 O flip ATOM 347 NE2 GLN A 23 -8.375 -1.592 0.709 1.00 0.00 N flip ATOM 0 H GLN A 23 -4.262 -3.612 1.415 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.482 -6.239 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.574 -5.301 1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.931 -4.306 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.773 -3.127 0.301 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.315 -3.654 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.683 -1.854 -0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.815 -0.807 1.190 1.00 0.00 H new ATOM 354 N LEU A 24 -3.881 -6.022 -0.328 1.00 0.00 N ATOM 355 CA LEU A 24 -3.481 -6.459 -1.655 1.00 0.00 C ATOM 356 C LEU A 24 -1.966 -6.681 -1.678 1.00 0.00 C ATOM 357 O LEU A 24 -1.309 -6.393 -2.676 1.00 0.00 O ATOM 358 CB LEU A 24 -3.973 -5.473 -2.716 1.00 0.00 C ATOM 359 CG LEU A 24 -2.955 -4.434 -3.191 1.00 0.00 C ATOM 360 CD1 LEU A 24 -2.317 -4.859 -4.516 1.00 0.00 C ATOM 361 CD2 LEU A 24 -3.590 -3.045 -3.280 1.00 0.00 C ATOM 0 H LEU A 24 -3.112 -5.897 0.331 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.949 -7.413 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.313 -6.041 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.841 -4.947 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.156 -4.375 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.597 -4.104 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.807 -5.814 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.091 -4.963 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.845 -2.325 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.420 -3.069 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.958 -2.750 -2.297 1.00 0.00 H new ATOM 372 N ALA A 25 -1.459 -7.191 -0.566 1.00 0.00 N ATOM 373 CA ALA A 25 -0.035 -7.454 -0.446 1.00 0.00 C ATOM 374 C ALA A 25 0.184 -8.618 0.523 1.00 0.00 C ATOM 375 O ALA A 25 1.030 -8.540 1.413 1.00 0.00 O ATOM 376 CB ALA A 25 0.684 -6.181 0.002 1.00 0.00 C ATOM 0 H ALA A 25 -2.008 -7.429 0.260 1.00 0.00 H new ATOM 0 HA ALA A 25 0.384 -7.743 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.752 -6.379 0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.522 -5.393 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.292 -5.862 0.968 1.00 0.00 H new