USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 151 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 121:sc= -2.4 USER MOD Single : A 13 THR OG1 : rot 93:sc= 1.19 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 5.788 -9.017 13.420 1.00 0.00 N ATOM 21 CA ALA A 2 4.712 -8.072 13.146 1.00 0.00 C ATOM 22 C ALA A 2 3.479 -8.787 12.597 1.00 0.00 C ATOM 23 O ALA A 2 3.593 -9.815 11.930 1.00 0.00 O ATOM 24 CB ALA A 2 5.183 -7.004 12.171 1.00 0.00 C ATOM 0 HA ALA A 2 4.434 -7.594 14.085 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.369 -6.305 11.976 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.028 -6.466 12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.490 -7.474 11.237 1.00 0.00 H new ATOM 30 N PRO A 3 2.279 -8.248 12.872 1.00 0.00 N ATOM 31 CA PRO A 3 1.022 -8.838 12.403 1.00 0.00 C ATOM 32 C PRO A 3 0.803 -8.624 10.909 1.00 0.00 C ATOM 33 O PRO A 3 1.263 -7.633 10.336 1.00 0.00 O ATOM 34 CB PRO A 3 -0.039 -8.091 13.211 1.00 0.00 C ATOM 35 CG PRO A 3 0.577 -6.769 13.508 1.00 0.00 C ATOM 36 CD PRO A 3 2.053 -7.021 13.662 1.00 0.00 C ATOM 0 HA PRO A 3 1.001 -9.919 12.540 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.963 -7.979 12.644 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.290 -8.626 14.127 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.385 -6.060 12.703 1.00 0.00 H new ATOM 0 HG3 PRO A 3 0.158 -6.339 14.418 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.644 -6.186 13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.329 -7.160 14.707 1.00 0.00 H new ATOM 44 N ARG A 4 0.091 -9.556 10.278 1.00 0.00 N ATOM 45 CA ARG A 4 -0.186 -9.462 8.853 1.00 0.00 C ATOM 46 C ARG A 4 -1.348 -8.529 8.569 1.00 0.00 C ATOM 47 O ARG A 4 -1.769 -8.354 7.426 1.00 0.00 O ATOM 48 CB ARG A 4 -0.463 -10.847 8.287 1.00 0.00 C ATOM 49 CG ARG A 4 0.019 -11.037 6.858 1.00 0.00 C ATOM 50 CD ARG A 4 -0.898 -11.966 6.078 1.00 0.00 C ATOM 51 NE ARG A 4 -0.309 -13.291 5.896 1.00 0.00 N ATOM 52 CZ ARG A 4 -0.350 -14.255 6.813 1.00 0.00 C ATOM 53 NH1 ARG A 4 -0.948 -14.048 7.980 1.00 0.00 N ATOM 54 NH2 ARG A 4 0.209 -15.431 6.563 1.00 0.00 N ATOM 0 H ARG A 4 -0.302 -10.381 10.732 1.00 0.00 H new ATOM 0 HA ARG A 4 0.694 -9.044 8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.016 -11.591 8.923 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.536 -11.037 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.069 -10.070 6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.030 -11.444 6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.849 -12.061 6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.114 -11.528 5.103 1.00 0.00 H new ATOM 0 HE ARG A 4 0.162 -13.489 5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.380 -13.146 8.179 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.976 -14.791 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.670 -15.597 5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.178 -16.170 7.265 1.00 0.00 H new ATOM 68 N GLY A 5 -1.836 -7.908 9.640 1.00 0.00 N ATOM 69 CA GLY A 5 -2.926 -6.966 9.535 1.00 0.00 C ATOM 70 C GLY A 5 -2.426 -5.600 9.130 1.00 0.00 C ATOM 71 O GLY A 5 -2.917 -5.001 8.173 1.00 0.00 O ATOM 0 H GLY A 5 -1.487 -8.047 10.588 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.650 -7.323 8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.445 -6.898 10.491 1.00 0.00 H new ATOM 75 N PHE A 6 -1.422 -5.123 9.854 1.00 0.00 N ATOM 76 CA PHE A 6 -0.816 -3.834 9.566 1.00 0.00 C ATOM 77 C PHE A 6 0.144 -3.971 8.392 1.00 0.00 C ATOM 78 O PHE A 6 0.296 -3.052 7.587 1.00 0.00 O ATOM 79 CB PHE A 6 -0.073 -3.305 10.795 1.00 0.00 C ATOM 80 CG PHE A 6 0.152 -1.820 10.768 1.00 0.00 C ATOM 81 CD1 PHE A 6 0.997 -1.251 9.829 1.00 0.00 C ATOM 82 CD2 PHE A 6 -0.481 -0.994 11.683 1.00 0.00 C ATOM 83 CE1 PHE A 6 1.206 0.114 9.802 1.00 0.00 C ATOM 84 CE2 PHE A 6 -0.275 0.372 11.662 1.00 0.00 C ATOM 85 CZ PHE A 6 0.570 0.927 10.720 1.00 0.00 C ATOM 0 H PHE A 6 -1.010 -5.613 10.648 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.602 -3.124 9.307 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.639 -3.562 11.690 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.891 -3.809 10.872 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.498 -1.882 9.110 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.143 -1.423 12.421 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.866 0.545 9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.774 1.005 12.381 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.733 1.994 10.702 1.00 0.00 H new ATOM 95 N SER A 7 0.782 -5.137 8.295 1.00 0.00 N ATOM 96 CA SER A 7 1.718 -5.406 7.212 1.00 0.00 C ATOM 97 C SER A 7 0.992 -5.426 5.871 1.00 0.00 C ATOM 98 O SER A 7 1.429 -4.794 4.909 1.00 0.00 O ATOM 99 CB SER A 7 2.430 -6.740 7.443 1.00 0.00 C ATOM 100 OG SER A 7 3.788 -6.669 7.045 1.00 0.00 O ATOM 0 H SER A 7 0.666 -5.907 8.954 1.00 0.00 H new ATOM 0 HA SER A 7 2.461 -4.609 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.370 -7.010 8.497 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.925 -7.527 6.884 1.00 0.00 H new ATOM 0 HG SER A 7 4.221 -7.533 7.204 1.00 0.00 H new ATOM 106 N CYS A 8 -0.123 -6.151 5.813 1.00 0.00 N ATOM 107 CA CYS A 8 -0.909 -6.244 4.588 1.00 0.00 C ATOM 108 C CYS A 8 -1.441 -4.873 4.183 1.00 0.00 C ATOM 109 O CYS A 8 -1.237 -4.426 3.055 1.00 0.00 O ATOM 110 CB CYS A 8 -2.073 -7.218 4.771 1.00 0.00 C ATOM 111 SG CYS A 8 -1.617 -8.958 4.587 1.00 0.00 S ATOM 0 H CYS A 8 -0.501 -6.681 6.599 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.258 -6.615 3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.505 -7.070 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.850 -6.979 4.045 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.898 -9.599 5.683 1.00 0.00 H new ATOM 117 N LEU A 9 -2.123 -4.211 5.112 1.00 0.00 N ATOM 118 CA LEU A 9 -2.684 -2.890 4.852 1.00 0.00 C ATOM 119 C LEU A 9 -1.582 -1.886 4.525 1.00 0.00 C ATOM 120 O LEU A 9 -1.795 -0.941 3.766 1.00 0.00 O ATOM 121 CB LEU A 9 -3.489 -2.407 6.060 1.00 0.00 C ATOM 122 CG LEU A 9 -4.089 -1.007 5.920 1.00 0.00 C ATOM 123 CD1 LEU A 9 -5.438 -1.072 5.222 1.00 0.00 C ATOM 124 CD2 LEU A 9 -4.223 -0.347 7.284 1.00 0.00 C ATOM 0 H LEU A 9 -2.300 -4.567 6.051 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.347 -2.968 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.297 -3.115 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.843 -2.423 6.938 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.417 -0.403 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.850 -0.067 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.313 -1.504 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.120 -1.692 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.651 0.648 7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.874 -0.950 7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.240 -0.266 7.747 1.00 0.00 H new ATOM 136 N LEU A 10 -0.405 -2.099 5.103 1.00 0.00 N ATOM 137 CA LEU A 10 0.731 -1.214 4.874 1.00 0.00 C ATOM 138 C LEU A 10 1.294 -1.406 3.468 1.00 0.00 C ATOM 139 O LEU A 10 1.744 -0.452 2.834 1.00 0.00 O ATOM 140 CB LEU A 10 1.823 -1.473 5.915 1.00 0.00 C ATOM 141 CG LEU A 10 3.119 -0.684 5.711 1.00 0.00 C ATOM 142 CD1 LEU A 10 2.823 0.799 5.549 1.00 0.00 C ATOM 143 CD2 LEU A 10 4.070 -0.916 6.875 1.00 0.00 C ATOM 0 H LEU A 10 -0.213 -2.877 5.734 1.00 0.00 H new ATOM 0 HA LEU A 10 0.385 -0.185 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.425 -1.238 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.060 -2.537 5.912 1.00 0.00 H new ATOM 0 HG LEU A 10 3.598 -1.038 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.757 1.343 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.179 0.949 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.321 1.170 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.987 -0.348 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.598 -0.589 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.308 -1.977 6.944 1.00 0.00 H new ATOM 155 N LEU A 11 1.263 -2.645 2.988 1.00 0.00 N ATOM 156 CA LEU A 11 1.769 -2.962 1.658 1.00 0.00 C ATOM 157 C LEU A 11 0.681 -2.776 0.604 1.00 0.00 C ATOM 158 O LEU A 11 0.967 -2.443 -0.546 1.00 0.00 O ATOM 159 CB LEU A 11 2.295 -4.399 1.619 1.00 0.00 C ATOM 160 CG LEU A 11 3.599 -4.592 0.842 1.00 0.00 C ATOM 161 CD1 LEU A 11 3.477 -4.016 -0.560 1.00 0.00 C ATOM 162 CD2 LEU A 11 4.761 -3.950 1.585 1.00 0.00 C ATOM 0 H LEU A 11 0.893 -3.446 3.500 1.00 0.00 H new ATOM 0 HA LEU A 11 2.587 -2.277 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.446 -4.742 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.530 -5.038 1.178 1.00 0.00 H new ATOM 0 HG LEU A 11 3.793 -5.661 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.414 -4.163 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.671 -4.521 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.258 -2.950 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.681 -4.097 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.573 -2.883 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.863 -4.410 2.568 1.00 0.00 H new ATOM 174 N LEU A 12 -0.568 -2.993 1.005 1.00 0.00 N ATOM 175 CA LEU A 12 -1.700 -2.849 0.097 1.00 0.00 C ATOM 176 C LEU A 12 -1.861 -1.397 -0.344 1.00 0.00 C ATOM 177 O LEU A 12 -2.292 -1.123 -1.464 1.00 0.00 O ATOM 178 CB LEU A 12 -2.985 -3.337 0.771 1.00 0.00 C ATOM 179 CG LEU A 12 -4.265 -3.120 -0.038 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.258 -3.983 -1.290 1.00 0.00 C ATOM 181 CD2 LEU A 12 -5.489 -3.421 0.812 1.00 0.00 C ATOM 0 H LEU A 12 -0.821 -3.269 1.954 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.508 -3.458 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.884 -4.401 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.089 -2.829 1.730 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.307 -2.074 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.176 -3.815 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.400 -3.720 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.193 -5.034 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.391 -3.261 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.453 -4.458 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.502 -2.760 1.679 1.00 0.00 H new ATOM 193 N THR A 13 -1.511 -0.472 0.543 1.00 0.00 N ATOM 194 CA THR A 13 -1.617 0.952 0.246 1.00 0.00 C ATOM 195 C THR A 13 -0.407 1.437 -0.547 1.00 0.00 C ATOM 196 O THR A 13 -0.490 2.420 -1.284 1.00 0.00 O ATOM 197 CB THR A 13 -1.746 1.755 1.541 1.00 0.00 C ATOM 198 OG1 THR A 13 -2.558 1.057 2.493 1.00 0.00 O ATOM 199 CG2 THR A 13 -2.360 3.111 1.265 1.00 0.00 C ATOM 0 H THR A 13 -1.151 -0.683 1.474 1.00 0.00 H new ATOM 0 HA THR A 13 -2.510 1.104 -0.360 1.00 0.00 H new ATOM 0 HB THR A 13 -0.745 1.886 1.952 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.986 0.516 3.077 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.444 3.669 2.198 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.728 3.662 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.351 2.980 0.830 1.00 0.00 H new ATOM 207 N SER A 14 0.718 0.746 -0.390 1.00 0.00 N ATOM 208 CA SER A 14 1.944 1.111 -1.091 1.00 0.00 C ATOM 209 C SER A 14 1.967 0.527 -2.500 1.00 0.00 C ATOM 210 O SER A 14 2.263 1.228 -3.467 1.00 0.00 O ATOM 211 CB SER A 14 3.166 0.630 -0.307 1.00 0.00 C ATOM 212 OG SER A 14 4.365 0.914 -1.007 1.00 0.00 O ATOM 0 H SER A 14 0.806 -0.070 0.216 1.00 0.00 H new ATOM 0 HA SER A 14 1.974 2.198 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.188 1.113 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.090 -0.443 -0.131 1.00 0.00 H new ATOM 0 HG SER A 14 5.132 0.598 -0.484 1.00 0.00 H new ATOM 218 N GLU A 15 1.655 -0.761 -2.609 1.00 0.00 N ATOM 219 CA GLU A 15 1.644 -1.437 -3.902 1.00 0.00 C ATOM 220 C GLU A 15 0.674 -0.760 -4.865 1.00 0.00 C ATOM 221 O GLU A 15 0.921 -0.700 -6.069 1.00 0.00 O ATOM 222 CB GLU A 15 1.268 -2.911 -3.729 1.00 0.00 C ATOM 223 CG GLU A 15 -0.155 -3.125 -3.239 1.00 0.00 C ATOM 224 CD GLU A 15 -0.388 -4.531 -2.724 1.00 0.00 C ATOM 225 OE1 GLU A 15 0.290 -4.928 -1.753 1.00 0.00 O ATOM 226 OE2 GLU A 15 -1.248 -5.237 -3.292 1.00 0.00 O ATOM 0 H GLU A 15 1.407 -1.357 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 15 2.647 -1.373 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.396 -3.424 -4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.959 -3.373 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.374 -2.410 -2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.850 -2.920 -4.053 1.00 0.00 H new ATOM 233 N ILE A 16 -0.428 -0.249 -4.326 1.00 0.00 N ATOM 234 CA ILE A 16 -1.433 0.427 -5.139 1.00 0.00 C ATOM 235 C ILE A 16 -1.160 1.929 -5.229 1.00 0.00 C ATOM 236 O ILE A 16 -2.008 2.696 -5.685 1.00 0.00 O ATOM 237 CB ILE A 16 -2.850 0.208 -4.573 1.00 0.00 C ATOM 238 CG1 ILE A 16 -3.086 -1.277 -4.290 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.897 0.742 -5.539 1.00 0.00 C ATOM 240 CD1 ILE A 16 -3.097 -2.136 -5.536 1.00 0.00 C ATOM 0 H ILE A 16 -0.648 -0.290 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.373 -0.007 -6.137 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.938 0.756 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.309 -1.638 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.037 -1.393 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.892 0.579 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.739 1.809 -5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.812 0.221 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.269 -3.176 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.892 -1.801 -6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.137 -2.050 -6.046 1.00 0.00 H new ATOM 252 N ASP A 17 0.028 2.344 -4.794 1.00 0.00 N ATOM 253 CA ASP A 17 0.407 3.750 -4.829 1.00 0.00 C ATOM 254 C ASP A 17 1.300 4.041 -6.027 1.00 0.00 C ATOM 255 O ASP A 17 2.132 4.947 -5.994 1.00 0.00 O ATOM 256 CB ASP A 17 1.129 4.122 -3.540 1.00 0.00 C ATOM 257 CG ASP A 17 0.775 5.514 -3.054 1.00 0.00 C ATOM 258 OD1 ASP A 17 0.316 6.332 -3.879 1.00 0.00 O ATOM 259 OD2 ASP A 17 0.958 5.787 -1.849 1.00 0.00 O ATOM 0 H ASP A 17 0.743 1.724 -4.413 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.498 4.350 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.879 3.396 -2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.205 4.060 -3.700 1.00 0.00 H new ATOM 264 N LEU A 18 1.118 3.261 -7.081 1.00 0.00 N ATOM 265 CA LEU A 18 1.904 3.422 -8.300 1.00 0.00 C ATOM 266 C LEU A 18 1.585 4.748 -8.992 1.00 0.00 C ATOM 267 O LEU A 18 2.486 5.537 -9.273 1.00 0.00 O ATOM 268 CB LEU A 18 1.657 2.255 -9.262 1.00 0.00 C ATOM 269 CG LEU A 18 1.376 0.905 -8.596 1.00 0.00 C ATOM 270 CD1 LEU A 18 -0.116 0.607 -8.600 1.00 0.00 C ATOM 271 CD2 LEU A 18 2.144 -0.206 -9.296 1.00 0.00 C ATOM 0 H LEU A 18 0.432 2.507 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 18 2.956 3.428 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.813 2.507 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.528 2.148 -9.908 1.00 0.00 H new ATOM 0 HG LEU A 18 1.713 0.956 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.296 -0.356 -8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.644 1.388 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.478 0.576 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.932 -1.158 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.838 -0.257 -10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.213 -0.000 -9.240 1.00 0.00 H new ATOM 283 N PRO A 19 0.296 5.015 -9.283 1.00 0.00 N ATOM 284 CA PRO A 19 -0.114 6.256 -9.949 1.00 0.00 C ATOM 285 C PRO A 19 0.123 7.489 -9.084 1.00 0.00 C ATOM 286 O PRO A 19 0.800 8.429 -9.499 1.00 0.00 O ATOM 287 CB PRO A 19 -1.613 6.059 -10.199 1.00 0.00 C ATOM 288 CG PRO A 19 -2.041 5.031 -9.210 1.00 0.00 C ATOM 289 CD PRO A 19 -0.854 4.136 -8.993 1.00 0.00 C ATOM 0 HA PRO A 19 0.461 6.432 -10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.161 6.991 -10.061 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.802 5.726 -11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.353 5.497 -8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.893 4.463 -9.583 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.820 3.754 -7.973 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.876 3.272 -9.657 1.00 0.00 H new ATOM 297 N VAL A 20 -0.442 7.480 -7.882 1.00 0.00 N ATOM 298 CA VAL A 20 -0.296 8.600 -6.958 1.00 0.00 C ATOM 299 C VAL A 20 -0.985 9.855 -7.493 1.00 0.00 C ATOM 300 O VAL A 20 -0.735 10.961 -7.014 1.00 0.00 O ATOM 301 CB VAL A 20 1.187 8.922 -6.691 1.00 0.00 C ATOM 302 CG1 VAL A 20 1.321 9.913 -5.545 1.00 0.00 C ATOM 303 CG2 VAL A 20 1.967 7.649 -6.398 1.00 0.00 C ATOM 0 H VAL A 20 -1.006 6.709 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.770 8.297 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 20 1.606 9.379 -7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.375 10.128 -5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.800 10.836 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.884 9.486 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.012 7.897 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.548 7.160 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.900 6.977 -7.253 1.00 0.00 H new