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= -4.16! C(o=-4.2!,f=-4.8!) USER MOD Single : A 23 GLN : amide:sc= -2.06 X(o=-2.1,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 -6.951 19.312 9.324 1.00 0.00 N ATOM 81 CA LEU A 7 -5.804 18.575 8.822 1.00 0.00 C ATOM 82 C LEU A 7 -6.282 17.277 8.168 1.00 0.00 C ATOM 83 O LEU A 7 -5.674 16.224 8.352 1.00 0.00 O ATOM 84 CB LEU A 7 -4.777 18.361 9.935 1.00 0.00 C ATOM 85 CG LEU A 7 -3.980 19.596 10.360 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.332 20.010 11.790 1.00 0.00 C ATOM 87 CD2 LEU A 7 -2.478 19.367 10.183 1.00 0.00 C ATOM 0 HA LEU A 7 -5.290 19.149 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.296 17.969 10.810 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.074 17.594 9.611 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.258 20.423 9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.752 20.890 12.067 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.395 20.243 11.850 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.100 19.193 12.473 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.935 20.260 10.492 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.164 18.521 10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.263 19.156 9.135 1.00 0.00 H new ATOM 98 N THR A 8 -7.368 17.395 7.418 1.00 0.00 N ATOM 99 CA THR A 8 -7.935 16.244 6.735 1.00 0.00 C ATOM 100 C THR A 8 -7.411 16.164 5.300 1.00 0.00 C ATOM 101 O THR A 8 -7.022 15.093 4.836 1.00 0.00 O ATOM 102 CB THR A 8 -9.458 16.346 6.822 1.00 0.00 C ATOM 103 OG1 THR A 8 -9.755 15.980 8.168 1.00 0.00 O ATOM 104 CG2 THR A 8 -10.166 15.281 5.982 1.00 0.00 C ATOM 0 H THR A 8 -7.870 18.270 7.268 1.00 0.00 H new ATOM 0 HA THR A 8 -7.630 15.312 7.211 1.00 0.00 H new ATOM 0 HB THR A 8 -9.774 17.336 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.723 16.021 8.312 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.245 15.399 6.080 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.882 15.394 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.876 14.290 6.331 1.00 0.00 H new ATOM 132 N HIS A 10 -4.788 16.884 4.201 1.00 0.00 N ATOM 133 CA HIS A 10 -3.437 16.349 4.214 1.00 0.00 C ATOM 134 C HIS A 10 -3.492 14.820 4.229 1.00 0.00 C ATOM 135 O HIS A 10 -2.534 14.157 3.830 1.00 0.00 O ATOM 136 CB HIS A 10 -2.636 16.924 5.384 1.00 0.00 C ATOM 137 CG HIS A 10 -1.206 17.265 5.039 1.00 0.00 C ATOM 138 ND1 HIS A 10 -0.869 18.197 4.074 1.00 0.00 N ATOM 139 CD2 HIS A 10 -0.031 16.790 5.543 1.00 0.00 C ATOM 140 CE1 HIS A 10 0.452 18.272 4.007 1.00 0.00 C ATOM 141 NE2 HIS A 10 0.970 17.399 4.917 1.00 0.00 N ATOM 0 HA HIS A 10 -2.913 16.651 3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.136 17.822 5.747 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.640 16.204 6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.069 16.045 6.319 1.00 0.00 H new ATOM 0 HE1 HIS A 10 1.019 18.912 3.347 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.963 17.240 5.089 1.00 0.00 H new ATOM 149 N LEU A 11 -4.620 14.304 4.692 1.00 0.00 N ATOM 150 CA LEU A 11 -4.812 12.864 4.763 1.00 0.00 C ATOM 151 C LEU A 11 -4.787 12.281 3.349 1.00 0.00 C ATOM 152 O LEU A 11 -4.632 11.073 3.175 1.00 0.00 O ATOM 153 CB LEU A 11 -6.085 12.532 5.544 1.00 0.00 C ATOM 154 CG LEU A 11 -6.167 13.095 6.964 1.00 0.00 C ATOM 155 CD1 LEU A 11 -7.560 12.878 7.559 1.00 0.00 C ATOM 156 CD2 LEU A 11 -5.068 12.509 7.851 1.00 0.00 C ATOM 0 H LEU A 11 -5.411 14.856 5.022 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.997 12.397 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.941 12.900 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.182 11.448 5.598 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.001 14.171 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.592 13.287 8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.303 13.381 6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.779 11.811 7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.149 12.926 8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.178 11.426 7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.092 12.757 7.433 1.00 0.00 H new ATOM 167 N LEU A 12 -4.941 13.165 2.375 1.00 0.00 N ATOM 168 CA LEU A 12 -4.938 12.753 0.981 1.00 0.00 C ATOM 169 C LEU A 12 -3.506 12.425 0.554 1.00 0.00 C ATOM 170 O LEU A 12 -2.639 13.298 0.555 1.00 0.00 O ATOM 171 CB LEU A 12 -5.614 13.811 0.107 1.00 0.00 C ATOM 172 CG LEU A 12 -4.677 14.774 -0.625 1.00 0.00 C ATOM 173 CD1 LEU A 12 -4.032 14.097 -1.836 1.00 0.00 C ATOM 174 CD2 LEU A 12 -5.407 16.063 -1.009 1.00 0.00 C ATOM 0 H LEU A 12 -5.069 14.166 2.523 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.526 11.844 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.231 13.302 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.287 14.396 0.734 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.872 15.051 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.371 14.803 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.456 13.233 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.809 13.772 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.719 16.730 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.245 15.825 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.778 16.553 -0.109 1.00 0.00 H new ATOM 185 N ARG A 13 -3.301 11.165 0.199 1.00 0.00 N ATOM 186 CA ARG A 13 -1.989 10.711 -0.229 1.00 0.00 C ATOM 187 C ARG A 13 -1.174 10.233 0.974 1.00 0.00 C ATOM 188 O ARG A 13 -0.243 9.443 0.824 1.00 0.00 O ATOM 189 CB ARG A 13 -1.225 11.829 -0.941 1.00 0.00 C ATOM 190 CG ARG A 13 -0.273 12.543 0.021 1.00 0.00 C ATOM 191 CD ARG A 13 -0.023 13.985 -0.423 1.00 0.00 C ATOM 192 NE ARG A 13 -0.368 14.919 0.673 1.00 0.00 N ATOM 193 CZ ARG A 13 0.003 16.206 0.708 1.00 0.00 C ATOM 194 NH1 ARG A 13 0.733 16.720 -0.291 1.00 0.00 N ATOM 195 NH2 ARG A 13 -0.356 16.978 1.742 1.00 0.00 N ATOM 0 H ARG A 13 -4.022 10.444 0.199 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.135 9.885 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.660 11.414 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.930 12.547 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.694 12.536 1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.673 12.004 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.022 14.112 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.620 14.211 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.923 14.560 1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.006 16.132 -1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.015 17.700 -0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.912 16.586 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.074 17.958 1.769 1.00 0.00 H new ATOM 206 N GLU A 14 -1.553 10.731 2.142 1.00 0.00 N ATOM 207 CA GLU A 14 -0.869 10.364 3.370 1.00 0.00 C ATOM 208 C GLU A 14 -1.277 8.956 3.804 1.00 0.00 C ATOM 209 O GLU A 14 -0.428 8.078 3.955 1.00 0.00 O ATOM 210 CB GLU A 14 -1.147 11.383 4.478 1.00 0.00 C ATOM 211 CG GLU A 14 -0.015 11.396 5.507 1.00 0.00 C ATOM 212 CD GLU A 14 -0.570 11.413 6.932 1.00 0.00 C ATOM 213 OE1 GLU A 14 -0.922 10.315 7.417 1.00 0.00 O ATOM 214 OE2 GLU A 14 -0.631 12.521 7.506 1.00 0.00 O ATOM 0 H GLU A 14 -2.325 11.386 2.264 1.00 0.00 H new ATOM 0 HA GLU A 14 0.204 10.367 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.260 12.376 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.089 11.142 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.617 10.518 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.616 12.271 5.348 1.00 0.00 H new ATOM 219 N VAL A 15 -2.577 8.783 3.994 1.00 0.00 N ATOM 220 CA VAL A 15 -3.108 7.496 4.409 1.00 0.00 C ATOM 221 C VAL A 15 -3.077 6.531 3.223 1.00 0.00 C ATOM 222 O VAL A 15 -2.647 5.386 3.359 1.00 0.00 O ATOM 223 CB VAL A 15 -4.508 7.673 5.000 1.00 0.00 C ATOM 224 CG1 VAL A 15 -5.303 6.367 4.929 1.00 0.00 C ATOM 225 CG2 VAL A 15 -4.435 8.193 6.436 1.00 0.00 C ATOM 0 H VAL A 15 -3.278 9.513 3.868 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.490 7.064 5.196 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.033 8.417 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.294 6.521 5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.400 6.056 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.782 5.593 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.444 8.310 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.883 7.483 7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.926 9.157 6.448 1.00 0.00 H new ATOM 235 N LEU A 16 -3.539 7.028 2.085 1.00 0.00 N ATOM 236 CA LEU A 16 -3.571 6.223 0.875 1.00 0.00 C ATOM 237 C LEU A 16 -2.287 5.396 0.785 1.00 0.00 C ATOM 238 O LEU A 16 -2.328 4.214 0.444 1.00 0.00 O ATOM 239 CB LEU A 16 -3.821 7.106 -0.349 1.00 0.00 C ATOM 240 CG LEU A 16 -5.272 7.526 -0.588 1.00 0.00 C ATOM 241 CD1 LEU A 16 -5.343 8.783 -1.456 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.086 6.374 -1.181 1.00 0.00 C ATOM 0 H LEU A 16 -3.894 7.978 1.975 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.403 5.519 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.214 8.006 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.467 6.576 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.718 7.774 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.386 9.060 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.821 9.599 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.873 8.587 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.114 6.699 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.649 6.072 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.076 5.529 -0.492 1.00 0.00 H new ATOM 253 N GLU A 17 -1.177 6.048 1.096 1.00 0.00 N ATOM 254 CA GLU A 17 0.117 5.388 1.054 1.00 0.00 C ATOM 255 C GLU A 17 0.022 3.995 1.680 1.00 0.00 C ATOM 256 O GLU A 17 0.474 3.014 1.090 1.00 0.00 O ATOM 257 CB GLU A 17 1.186 6.231 1.753 1.00 0.00 C ATOM 258 CG GLU A 17 1.946 7.096 0.746 1.00 0.00 C ATOM 259 CD GLU A 17 3.458 6.952 0.930 1.00 0.00 C ATOM 260 OE1 GLU A 17 3.933 5.800 0.838 1.00 0.00 O ATOM 261 OE2 GLU A 17 4.104 7.997 1.159 1.00 0.00 O ATOM 0 H GLU A 17 -1.147 7.028 1.379 1.00 0.00 H new ATOM 0 HA GLU A 17 0.413 5.278 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.719 6.867 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.884 5.578 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.670 6.807 -0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.659 8.140 0.869 1.00 0.00 H new ATOM 285 N ALA A 19 -2.383 0.982 3.941 1.00 0.00 N ATOM 286 CA ALA A 19 -3.719 0.408 3.967 1.00 0.00 C ATOM 287 C ALA A 19 -4.076 -0.102 2.570 1.00 0.00 C ATOM 288 O ALA A 19 -5.121 -0.723 2.380 1.00 0.00 O ATOM 289 CB ALA A 19 -4.713 1.451 4.480 1.00 0.00 C ATOM 0 HA ALA A 19 -3.759 -0.442 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.714 1.021 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.431 1.758 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.704 2.318 3.820 1.00 0.00 H new ATOM 295 N ARG A 20 -3.190 0.180 1.626 1.00 0.00 N ATOM 296 CA ARG A 20 -3.400 -0.242 0.251 1.00 0.00 C ATOM 297 C ARG A 20 -2.524 -1.455 -0.070 1.00 0.00 C ATOM 298 O ARG A 20 -2.954 -2.365 -0.777 1.00 0.00 O ATOM 299 CB ARG A 20 -3.074 0.889 -0.727 1.00 0.00 C ATOM 300 CG ARG A 20 -4.182 1.944 -0.735 1.00 0.00 C ATOM 301 CD ARG A 20 -5.024 1.845 -2.009 1.00 0.00 C ATOM 302 NE ARG A 20 -6.407 1.442 -1.671 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.383 1.276 -2.574 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.134 1.478 -3.875 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.609 0.910 -2.177 1.00 0.00 N ATOM 0 H ARG A 20 -2.325 0.696 1.786 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.451 -0.510 0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.127 1.353 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.947 0.482 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.821 1.812 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.742 2.939 -0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.032 2.805 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.582 1.120 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.631 1.280 -0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.201 1.758 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.877 1.352 -4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.800 0.758 -1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.351 0.784 -2.865 1.00 0.00 H new ATOM 316 N ALA A 21 -1.311 -1.427 0.463 1.00 0.00 N ATOM 317 CA ALA A 21 -0.372 -2.513 0.240 1.00 0.00 C ATOM 318 C ALA A 21 -0.913 -3.790 0.887 1.00 0.00 C ATOM 319 O ALA A 21 -0.929 -4.849 0.260 1.00 0.00 O ATOM 320 CB ALA A 21 1.002 -2.120 0.787 1.00 0.00 C ATOM 0 H ALA A 21 -0.957 -0.670 1.048 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.256 -2.707 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.707 -2.935 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.355 -1.224 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.925 -1.921 1.856 1.00 0.00 H new ATOM 326 N GLU A 22 -1.343 -3.649 2.131 1.00 0.00 N ATOM 327 CA GLU A 22 -1.884 -4.778 2.869 1.00 0.00 C ATOM 328 C GLU A 22 -3.196 -5.247 2.236 1.00 0.00 C ATOM 329 O GLU A 22 -3.715 -6.305 2.587 1.00 0.00 O ATOM 330 CB GLU A 22 -2.083 -4.424 4.345 1.00 0.00 C ATOM 331 CG GLU A 22 -2.176 -5.687 5.203 1.00 0.00 C ATOM 332 CD GLU A 22 -1.603 -5.443 6.601 1.00 0.00 C ATOM 333 OE1 GLU A 22 -0.420 -5.045 6.668 1.00 0.00 O ATOM 334 OE2 GLU A 22 -2.361 -5.662 7.570 1.00 0.00 O ATOM 0 H GLU A 22 -1.328 -2.770 2.648 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.166 -5.597 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.254 -3.806 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.991 -3.833 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.217 -6.001 5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.633 -6.500 4.720 1.00 0.00 H new ATOM 339 N GLN A 23 -3.694 -4.435 1.314 1.00 0.00 N ATOM 340 CA GLN A 23 -4.935 -4.754 0.630 1.00 0.00 C ATOM 341 C GLN A 23 -4.646 -5.269 -0.782 1.00 0.00 C ATOM 342 O GLN A 23 -5.472 -5.125 -1.681 1.00 0.00 O ATOM 343 CB GLN A 23 -5.866 -3.541 0.590 1.00 0.00 C ATOM 344 CG GLN A 23 -6.568 -3.344 1.935 1.00 0.00 C ATOM 345 CD GLN A 23 -7.524 -2.150 1.886 1.00 0.00 C ATOM 346 OE1 GLN A 23 -7.479 -1.252 2.711 1.00 0.00 O ATOM 347 NE2 GLN A 23 -8.387 -2.190 0.876 1.00 0.00 N ATOM 0 H GLN A 23 -3.261 -3.558 1.025 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.442 -5.542 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.294 -2.647 0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.609 -3.674 -0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.121 -4.246 2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.825 -3.188 2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.370 -2.972 0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.066 -1.439 0.756 1.00 0.00 H new ATOM 354 N LEU A 24 -3.468 -5.858 -0.932 1.00 0.00 N ATOM 355 CA LEU A 24 -3.059 -6.395 -2.219 1.00 0.00 C ATOM 356 C LEU A 24 -1.706 -7.093 -2.069 1.00 0.00 C ATOM 357 O LEU A 24 -0.871 -7.037 -2.969 1.00 0.00 O ATOM 358 CB LEU A 24 -3.069 -5.298 -3.285 1.00 0.00 C ATOM 359 CG LEU A 24 -1.744 -4.566 -3.507 1.00 0.00 C ATOM 360 CD1 LEU A 24 -1.108 -4.975 -4.837 1.00 0.00 C ATOM 361 CD2 LEU A 24 -1.929 -3.051 -3.403 1.00 0.00 C ATOM 0 H LEU A 24 -2.784 -5.975 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.770 -7.147 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.379 -5.741 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.827 -4.563 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.055 -4.861 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.168 -4.440 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.918 -6.048 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.785 -4.728 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.972 -2.556 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.642 -2.719 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.306 -2.798 -2.412 1.00 0.00 H new ATOM 372 N ALA A 25 -1.533 -7.736 -0.923 1.00 0.00 N ATOM 373 CA ALA A 25 -0.295 -8.446 -0.643 1.00 0.00 C ATOM 374 C ALA A 25 -0.438 -9.207 0.676 1.00 0.00 C ATOM 375 O ALA A 25 0.478 -9.212 1.497 1.00 0.00 O ATOM 376 CB ALA A 25 0.868 -7.452 -0.619 1.00 0.00 C ATOM 0 H ALA A 25 -2.228 -7.780 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.084 -9.176 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.796 -7.983 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.944 -6.957 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.693 -6.706 0.157 1.00 0.00 H new