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=-0.0096) USER MOD Single : A 23 GLN : amide:sc= -9.63! C(o=-9.6!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 1.013 18.999 9.058 1.00 0.00 N ATOM 81 CA LEU A 7 0.759 17.581 9.255 1.00 0.00 C ATOM 82 C LEU A 7 -0.285 17.110 8.240 1.00 0.00 C ATOM 83 O LEU A 7 -0.781 15.988 8.330 1.00 0.00 O ATOM 84 CB LEU A 7 0.374 17.302 10.709 1.00 0.00 C ATOM 85 CG LEU A 7 1.302 16.361 11.479 1.00 0.00 C ATOM 86 CD1 LEU A 7 1.544 16.872 12.901 1.00 0.00 C ATOM 87 CD2 LEU A 7 0.763 14.930 11.469 1.00 0.00 C ATOM 0 HA LEU A 7 1.665 17.002 9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.330 18.252 11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.631 16.881 10.724 1.00 0.00 H new ATOM 0 HG LEU A 7 2.268 16.345 10.974 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.207 16.185 13.427 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.004 17.859 12.859 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.594 16.936 13.431 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.442 14.282 12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.222 14.909 11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.684 14.578 10.440 1.00 0.00 H new ATOM 98 N THR A 8 -0.588 17.991 7.298 1.00 0.00 N ATOM 99 CA THR A 8 -1.565 17.678 6.268 1.00 0.00 C ATOM 100 C THR A 8 -0.865 17.153 5.013 1.00 0.00 C ATOM 101 O THR A 8 -1.255 16.121 4.467 1.00 0.00 O ATOM 102 CB THR A 8 -2.403 18.934 6.016 1.00 0.00 C ATOM 103 OG1 THR A 8 -2.768 19.376 7.320 1.00 0.00 O ATOM 104 CG2 THR A 8 -3.739 18.619 5.340 1.00 0.00 C ATOM 0 H THR A 8 -0.175 18.921 7.226 1.00 0.00 H new ATOM 0 HA THR A 8 -2.236 16.880 6.586 1.00 0.00 H new ATOM 0 HB THR A 8 -1.838 19.630 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.312 20.188 7.250 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.295 19.544 5.184 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.556 18.139 4.379 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.319 17.950 5.975 1.00 0.00 H new ATOM 132 N HIS A 10 1.633 15.701 4.837 1.00 0.00 N ATOM 133 CA HIS A 10 2.210 14.406 5.152 1.00 0.00 C ATOM 134 C HIS A 10 1.093 13.372 5.308 1.00 0.00 C ATOM 135 O HIS A 10 1.332 12.262 5.783 1.00 0.00 O ATOM 136 CB HIS A 10 3.109 14.497 6.386 1.00 0.00 C ATOM 137 CG HIS A 10 4.586 14.413 6.078 1.00 0.00 C ATOM 138 ND1 HIS A 10 5.192 13.253 5.628 1.00 0.00 N ATOM 139 CD2 HIS A 10 5.568 15.355 6.158 1.00 0.00 C ATOM 140 CE1 HIS A 10 6.482 13.498 5.450 1.00 0.00 C ATOM 141 NE2 HIS A 10 6.713 14.801 5.779 1.00 0.00 N ATOM 0 HA HIS A 10 2.850 14.080 4.332 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.908 15.437 6.900 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.846 13.694 7.075 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.437 16.379 6.476 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.221 12.790 5.105 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.617 15.272 5.740 1.00 0.00 H new ATOM 149 N LEU A 11 -0.101 13.772 4.899 1.00 0.00 N ATOM 150 CA LEU A 11 -1.255 12.893 4.987 1.00 0.00 C ATOM 151 C LEU A 11 -1.710 12.513 3.576 1.00 0.00 C ATOM 152 O LEU A 11 -2.490 11.577 3.402 1.00 0.00 O ATOM 153 CB LEU A 11 -2.355 13.536 5.835 1.00 0.00 C ATOM 154 CG LEU A 11 -3.605 13.991 5.080 1.00 0.00 C ATOM 155 CD1 LEU A 11 -4.441 12.791 4.629 1.00 0.00 C ATOM 156 CD2 LEU A 11 -4.422 14.979 5.915 1.00 0.00 C ATOM 0 H LEU A 11 -0.295 14.693 4.506 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.990 11.967 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.658 12.824 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.932 14.399 6.350 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.287 14.518 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.324 13.143 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.845 12.160 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.750 12.215 5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.305 15.286 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.731 14.501 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.813 15.854 6.141 1.00 0.00 H new ATOM 167 N LEU A 12 -1.203 13.257 2.605 1.00 0.00 N ATOM 168 CA LEU A 12 -1.547 13.010 1.215 1.00 0.00 C ATOM 169 C LEU A 12 -0.470 12.133 0.576 1.00 0.00 C ATOM 170 O LEU A 12 0.128 12.511 -0.430 1.00 0.00 O ATOM 171 CB LEU A 12 -1.782 14.331 0.478 1.00 0.00 C ATOM 172 CG LEU A 12 -2.852 15.249 1.071 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.924 16.572 0.307 1.00 0.00 C ATOM 174 CD2 LEU A 12 -4.210 14.545 1.127 1.00 0.00 C ATOM 0 H LEU A 12 -0.556 14.032 2.753 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.487 12.462 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.840 14.878 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.056 14.105 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.569 15.484 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.693 17.206 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.960 17.078 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.171 16.377 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.952 15.220 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.514 14.260 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.132 13.653 1.749 1.00 0.00 H new ATOM 185 N ARG A 13 -0.255 10.976 1.185 1.00 0.00 N ATOM 186 CA ARG A 13 0.739 10.041 0.688 1.00 0.00 C ATOM 187 C ARG A 13 1.064 8.994 1.756 1.00 0.00 C ATOM 188 O ARG A 13 1.422 7.862 1.431 1.00 0.00 O ATOM 189 CB ARG A 13 2.026 10.767 0.288 1.00 0.00 C ATOM 190 CG ARG A 13 2.395 11.836 1.317 1.00 0.00 C ATOM 191 CD ARG A 13 3.878 12.200 1.224 1.00 0.00 C ATOM 192 NE ARG A 13 4.028 13.603 0.781 1.00 0.00 N ATOM 193 CZ ARG A 13 5.167 14.304 0.878 1.00 0.00 C ATOM 194 NH1 ARG A 13 6.260 13.735 1.404 1.00 0.00 N ATOM 195 NH2 ARG A 13 5.211 15.573 0.452 1.00 0.00 N ATOM 0 H ARG A 13 -0.753 10.665 2.019 1.00 0.00 H new ATOM 0 HA ARG A 13 0.322 9.551 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.840 10.048 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.898 11.229 -0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.788 12.727 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.168 11.474 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.356 12.063 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.381 11.533 0.524 1.00 0.00 H new ATOM 0 HE ARG A 13 3.214 14.066 0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.225 12.769 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.127 14.268 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.378 16.006 0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.078 16.106 0.526 1.00 0.00 H new ATOM 206 N GLU A 14 0.926 9.408 3.006 1.00 0.00 N ATOM 207 CA GLU A 14 1.201 8.520 4.124 1.00 0.00 C ATOM 208 C GLU A 14 -0.011 7.626 4.400 1.00 0.00 C ATOM 209 O GLU A 14 0.135 6.419 4.585 1.00 0.00 O ATOM 210 CB GLU A 14 1.593 9.313 5.371 1.00 0.00 C ATOM 211 CG GLU A 14 3.006 9.886 5.234 1.00 0.00 C ATOM 212 CD GLU A 14 4.035 8.974 5.903 1.00 0.00 C ATOM 213 OE1 GLU A 14 3.703 8.441 6.985 1.00 0.00 O ATOM 214 OE2 GLU A 14 5.130 8.830 5.318 1.00 0.00 O ATOM 0 H GLU A 14 0.627 10.347 3.271 1.00 0.00 H new ATOM 0 HA GLU A 14 2.046 7.884 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.882 10.124 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.542 8.668 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.253 10.006 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.046 10.877 5.685 1.00 0.00 H new ATOM 219 N VAL A 15 -1.176 8.254 4.420 1.00 0.00 N ATOM 220 CA VAL A 15 -2.412 7.530 4.670 1.00 0.00 C ATOM 221 C VAL A 15 -2.748 6.667 3.454 1.00 0.00 C ATOM 222 O VAL A 15 -2.860 5.447 3.565 1.00 0.00 O ATOM 223 CB VAL A 15 -3.528 8.512 5.035 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.883 7.804 5.091 1.00 0.00 C ATOM 225 CG2 VAL A 15 -3.225 9.220 6.357 1.00 0.00 C ATOM 0 H VAL A 15 -1.292 9.256 4.267 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.297 6.859 5.521 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.577 9.270 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.659 8.524 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.106 7.367 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.851 7.016 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.034 9.912 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.136 8.481 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.289 9.772 6.268 1.00 0.00 H new ATOM 235 N LEU A 16 -2.900 7.334 2.319 1.00 0.00 N ATOM 236 CA LEU A 16 -3.221 6.642 1.082 1.00 0.00 C ATOM 237 C LEU A 16 -2.337 5.402 0.950 1.00 0.00 C ATOM 238 O LEU A 16 -2.776 4.372 0.441 1.00 0.00 O ATOM 239 CB LEU A 16 -3.121 7.598 -0.108 1.00 0.00 C ATOM 240 CG LEU A 16 -3.972 8.867 -0.025 1.00 0.00 C ATOM 241 CD1 LEU A 16 -3.134 10.062 0.434 1.00 0.00 C ATOM 242 CD2 LEU A 16 -4.681 9.140 -1.353 1.00 0.00 C ATOM 0 H LEU A 16 -2.807 8.346 2.230 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.254 6.296 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.078 7.891 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.403 7.054 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.746 8.710 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.764 10.950 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.717 9.857 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.323 10.232 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.279 10.047 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.940 9.268 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.330 8.300 -1.598 1.00 0.00 H new ATOM 253 N GLU A 17 -1.106 5.540 1.420 1.00 0.00 N ATOM 254 CA GLU A 17 -0.155 4.443 1.363 1.00 0.00 C ATOM 255 C GLU A 17 -0.830 3.132 1.771 1.00 0.00 C ATOM 256 O GLU A 17 -0.843 2.171 1.004 1.00 0.00 O ATOM 257 CB GLU A 17 1.066 4.728 2.241 1.00 0.00 C ATOM 258 CG GLU A 17 2.363 4.579 1.443 1.00 0.00 C ATOM 259 CD GLU A 17 3.430 3.849 2.261 1.00 0.00 C ATOM 260 OE1 GLU A 17 3.454 2.602 2.178 1.00 0.00 O ATOM 261 OE2 GLU A 17 4.197 4.556 2.950 1.00 0.00 O ATOM 0 H GLU A 17 -0.745 6.395 1.842 1.00 0.00 H new ATOM 0 HA GLU A 17 0.193 4.344 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.999 5.737 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.076 4.043 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.167 4.029 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.731 5.563 1.154 1.00 0.00 H new ATOM 285 N ALA A 19 -4.087 0.739 3.074 1.00 0.00 N ATOM 286 CA ALA A 19 -5.477 0.567 2.689 1.00 0.00 C ATOM 287 C ALA A 19 -5.571 0.472 1.165 1.00 0.00 C ATOM 288 O ALA A 19 -6.644 0.218 0.620 1.00 0.00 O ATOM 289 CB ALA A 19 -6.309 1.720 3.253 1.00 0.00 C ATOM 0 HA ALA A 19 -5.878 -0.358 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.352 1.591 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.232 1.727 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.937 2.665 2.857 1.00 0.00 H new ATOM 295 N ARG A 20 -4.433 0.678 0.519 1.00 0.00 N ATOM 296 CA ARG A 20 -4.373 0.618 -0.931 1.00 0.00 C ATOM 297 C ARG A 20 -3.149 -0.182 -1.380 1.00 0.00 C ATOM 298 O ARG A 20 -2.619 0.042 -2.468 1.00 0.00 O ATOM 299 CB ARG A 20 -4.307 2.021 -1.538 1.00 0.00 C ATOM 300 CG ARG A 20 -5.375 2.932 -0.931 1.00 0.00 C ATOM 301 CD ARG A 20 -6.678 2.859 -1.729 1.00 0.00 C ATOM 302 NE ARG A 20 -6.420 3.186 -3.149 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.365 3.207 -4.099 1.00 0.00 C ATOM 304 NH1 ARG A 20 -8.636 2.919 -3.786 1.00 0.00 N ATOM 305 NH2 ARG A 20 -7.040 3.515 -5.361 1.00 0.00 N ATOM 0 H ARG A 20 -3.544 0.887 0.974 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.281 0.125 -1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.319 2.449 -1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.446 1.961 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.561 2.641 0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.013 3.960 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.108 1.860 -1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.408 3.554 -1.314 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.463 3.409 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.884 2.684 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.355 2.935 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.073 3.734 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.760 3.531 -6.084 1.00 0.00 H new ATOM 316 N ALA A 21 -2.733 -1.099 -0.519 1.00 0.00 N ATOM 317 CA ALA A 21 -1.580 -1.934 -0.813 1.00 0.00 C ATOM 318 C ALA A 21 -1.447 -3.010 0.267 1.00 0.00 C ATOM 319 O ALA A 21 -1.148 -4.165 -0.035 1.00 0.00 O ATOM 320 CB ALA A 21 -0.329 -1.059 -0.920 1.00 0.00 C ATOM 0 H ALA A 21 -3.174 -1.282 0.382 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.707 -2.440 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.535 -1.685 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.462 -0.330 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.168 -0.537 0.024 1.00 0.00 H new ATOM 326 N GLU A 22 -1.674 -2.594 1.504 1.00 0.00 N ATOM 327 CA GLU A 22 -1.583 -3.507 2.630 1.00 0.00 C ATOM 328 C GLU A 22 -2.793 -4.443 2.653 1.00 0.00 C ATOM 329 O GLU A 22 -2.881 -5.330 3.502 1.00 0.00 O ATOM 330 CB GLU A 22 -1.458 -2.742 3.949 1.00 0.00 C ATOM 331 CG GLU A 22 -1.672 -3.671 5.145 1.00 0.00 C ATOM 332 CD GLU A 22 -1.217 -3.005 6.446 1.00 0.00 C ATOM 333 OE1 GLU A 22 -1.945 -2.099 6.903 1.00 0.00 O ATOM 334 OE2 GLU A 22 -0.151 -3.418 6.951 1.00 0.00 O ATOM 0 H GLU A 22 -1.921 -1.636 1.751 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.683 -4.110 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.472 -2.281 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.190 -1.935 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.726 -3.938 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.118 -4.598 4.994 1.00 0.00 H new ATOM 339 N GLN A 23 -3.696 -4.215 1.711 1.00 0.00 N ATOM 340 CA GLN A 23 -4.897 -5.026 1.613 1.00 0.00 C ATOM 341 C GLN A 23 -4.970 -5.703 0.242 1.00 0.00 C ATOM 342 O GLN A 23 -6.054 -5.876 -0.312 1.00 0.00 O ATOM 343 CB GLN A 23 -6.149 -4.188 1.876 1.00 0.00 C ATOM 344 CG GLN A 23 -6.106 -2.876 1.092 1.00 0.00 C ATOM 345 CD GLN A 23 -6.232 -3.131 -0.411 1.00 0.00 C ATOM 346 OE1 GLN A 23 -7.138 -3.799 -0.880 1.00 0.00 O ATOM 347 NE2 GLN A 23 -5.274 -2.563 -1.138 1.00 0.00 N ATOM 0 H GLN A 23 -3.620 -3.480 1.008 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.851 -5.801 2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.036 -4.755 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.232 -3.976 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.914 -2.224 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.171 -2.355 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.544 -2.016 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.269 -2.674 -2.152 1.00 0.00 H new ATOM 354 N LEU A 24 -3.801 -6.067 -0.265 1.00 0.00 N ATOM 355 CA LEU A 24 -3.718 -6.720 -1.561 1.00 0.00 C ATOM 356 C LEU A 24 -2.272 -7.144 -1.821 1.00 0.00 C ATOM 357 O LEU A 24 -1.807 -7.110 -2.961 1.00 0.00 O ATOM 358 CB LEU A 24 -4.303 -5.823 -2.652 1.00 0.00 C ATOM 359 CG LEU A 24 -3.291 -5.030 -3.482 1.00 0.00 C ATOM 360 CD1 LEU A 24 -2.999 -5.735 -4.809 1.00 0.00 C ATOM 361 CD2 LEU A 24 -3.762 -3.589 -3.691 1.00 0.00 C ATOM 0 H LEU A 24 -2.904 -5.922 0.198 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.323 -7.627 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.891 -6.443 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.992 -5.119 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.354 -4.985 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.277 -5.151 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.590 -6.726 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.922 -5.831 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.025 -3.048 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.718 -3.591 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.879 -3.101 -2.724 1.00 0.00 H new ATOM 372 N ALA A 25 -1.599 -7.532 -0.749 1.00 0.00 N ATOM 373 CA ALA A 25 -0.214 -7.961 -0.847 1.00 0.00 C ATOM 374 C ALA A 25 0.159 -8.759 0.404 1.00 0.00 C ATOM 375 O ALA A 25 1.319 -8.772 0.813 1.00 0.00 O ATOM 376 CB ALA A 25 0.685 -6.740 -1.052 1.00 0.00 C ATOM 0 H ALA A 25 -1.987 -7.559 0.194 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.075 -8.616 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.724 -7.061 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.398 -6.227 -1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.574 -6.061 -0.207 1.00 0.00 H new