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 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 78:sc= 0.0347 USER MOD Single : A 14 SER OG : rot -57:sc= -0.378 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 5.149 -10.004 13.265 1.00 0.00 N ATOM 21 CA ALA A 2 4.160 -8.934 13.199 1.00 0.00 C ATOM 22 C ALA A 2 2.848 -9.434 12.603 1.00 0.00 C ATOM 23 O ALA A 2 2.833 -10.391 11.829 1.00 0.00 O ATOM 24 CB ALA A 2 4.700 -7.766 12.385 1.00 0.00 C ATOM 0 HA ALA A 2 3.961 -8.594 14.215 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.952 -6.974 12.344 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.607 -7.384 12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.929 -8.102 11.374 1.00 0.00 H new ATOM 30 N PRO A 3 1.723 -8.790 12.957 1.00 0.00 N ATOM 31 CA PRO A 3 0.400 -9.174 12.452 1.00 0.00 C ATOM 32 C PRO A 3 0.228 -8.844 10.974 1.00 0.00 C ATOM 33 O PRO A 3 0.708 -7.813 10.494 1.00 0.00 O ATOM 34 CB PRO A 3 -0.561 -8.341 13.302 1.00 0.00 C ATOM 35 CG PRO A 3 0.235 -7.153 13.719 1.00 0.00 C ATOM 36 CD PRO A 3 1.650 -7.636 13.874 1.00 0.00 C ATOM 0 HA PRO A 3 0.231 -10.248 12.525 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -1.442 -8.047 12.731 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.915 -8.904 14.166 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.173 -6.360 12.973 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.141 -6.740 14.655 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.370 -6.863 13.604 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.865 -7.926 14.902 1.00 0.00 H new ATOM 44 N ARG A 4 -0.460 -9.725 10.250 1.00 0.00 N ATOM 45 CA ARG A 4 -0.690 -9.525 8.825 1.00 0.00 C ATOM 46 C ARG A 4 -1.764 -8.488 8.551 1.00 0.00 C ATOM 47 O ARG A 4 -2.120 -8.220 7.403 1.00 0.00 O ATOM 48 CB ARG A 4 -1.061 -10.840 8.159 1.00 0.00 C ATOM 49 CG ARG A 4 -2.095 -11.646 8.929 1.00 0.00 C ATOM 50 CD ARG A 4 -2.726 -12.719 8.059 1.00 0.00 C ATOM 51 NE ARG A 4 -3.806 -13.419 8.749 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.613 -14.285 9.742 1.00 0.00 C ATOM 53 NH1 ARG A 4 -2.384 -14.560 10.162 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.651 -14.878 10.316 1.00 0.00 N ATOM 0 H ARG A 4 -0.866 -10.581 10.628 1.00 0.00 H new ATOM 0 HA ARG A 4 0.242 -9.150 8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -1.444 -10.635 7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.161 -11.442 8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.624 -12.110 9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.871 -10.979 9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.113 -12.265 7.147 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.963 -13.437 7.758 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.764 -13.234 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.582 -14.107 9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.242 -15.224 10.923 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.597 -14.671 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.503 -15.541 11.077 1.00 0.00 H new ATOM 68 N GLY A 5 -2.259 -7.892 9.635 1.00 0.00 N ATOM 69 CA GLY A 5 -3.276 -6.868 9.538 1.00 0.00 C ATOM 70 C GLY A 5 -2.687 -5.541 9.123 1.00 0.00 C ATOM 71 O GLY A 5 -3.093 -4.954 8.118 1.00 0.00 O ATOM 0 H GLY A 5 -1.966 -8.107 10.588 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.033 -7.173 8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.778 -6.760 10.500 1.00 0.00 H new ATOM 75 N PHE A 6 -1.710 -5.080 9.891 1.00 0.00 N ATOM 76 CA PHE A 6 -1.036 -3.825 9.603 1.00 0.00 C ATOM 77 C PHE A 6 0.027 -4.037 8.531 1.00 0.00 C ATOM 78 O PHE A 6 0.291 -3.152 7.718 1.00 0.00 O ATOM 79 CB PHE A 6 -0.398 -3.255 10.871 1.00 0.00 C ATOM 80 CG PHE A 6 -0.578 -1.770 11.019 1.00 0.00 C ATOM 81 CD1 PHE A 6 -0.439 -0.928 9.926 1.00 0.00 C ATOM 82 CD2 PHE A 6 -0.885 -1.217 12.252 1.00 0.00 C ATOM 83 CE1 PHE A 6 -0.604 0.437 10.061 1.00 0.00 C ATOM 84 CE2 PHE A 6 -1.051 0.148 12.392 1.00 0.00 C ATOM 85 CZ PHE A 6 -0.910 0.977 11.295 1.00 0.00 C ATOM 0 H PHE A 6 -1.366 -5.560 10.722 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.773 -3.111 9.236 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.828 -3.753 11.740 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.667 -3.485 10.867 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.199 -1.344 8.959 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.996 -1.860 13.113 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.494 1.082 9.202 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.291 0.567 13.358 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.039 2.044 11.402 1.00 0.00 H new ATOM 95 N SER A 7 0.629 -5.225 8.533 1.00 0.00 N ATOM 96 CA SER A 7 1.656 -5.558 7.555 1.00 0.00 C ATOM 97 C SER A 7 1.061 -5.612 6.151 1.00 0.00 C ATOM 98 O SER A 7 1.633 -5.074 5.204 1.00 0.00 O ATOM 99 CB SER A 7 2.305 -6.900 7.899 1.00 0.00 C ATOM 100 OG SER A 7 3.698 -6.873 7.648 1.00 0.00 O ATOM 0 H SER A 7 0.422 -5.969 9.200 1.00 0.00 H new ATOM 0 HA SER A 7 2.419 -4.780 7.582 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.126 -7.135 8.948 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.842 -7.692 7.311 1.00 0.00 H new ATOM 0 HG SER A 7 4.089 -7.742 7.878 1.00 0.00 H new ATOM 106 N CYS A 8 -0.094 -6.261 6.027 1.00 0.00 N ATOM 107 CA CYS A 8 -0.767 -6.378 4.739 1.00 0.00 C ATOM 108 C CYS A 8 -1.257 -5.015 4.262 1.00 0.00 C ATOM 109 O CYS A 8 -0.960 -4.595 3.144 1.00 0.00 O ATOM 110 CB CYS A 8 -1.945 -7.351 4.841 1.00 0.00 C ATOM 111 SG CYS A 8 -2.864 -7.564 3.299 1.00 0.00 S ATOM 0 H CYS A 8 -0.581 -6.712 6.801 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.051 -6.764 4.013 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.573 -8.322 5.166 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.629 -6.997 5.613 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.837 -8.405 3.486 1.00 0.00 H new ATOM 117 N LEU A 9 -2.005 -4.327 5.119 1.00 0.00 N ATOM 118 CA LEU A 9 -2.533 -3.010 4.783 1.00 0.00 C ATOM 119 C LEU A 9 -1.398 -2.026 4.513 1.00 0.00 C ATOM 120 O LEU A 9 -1.538 -1.108 3.705 1.00 0.00 O ATOM 121 CB LEU A 9 -3.419 -2.488 5.917 1.00 0.00 C ATOM 122 CG LEU A 9 -4.897 -2.865 5.809 1.00 0.00 C ATOM 123 CD1 LEU A 9 -5.151 -4.218 6.456 1.00 0.00 C ATOM 124 CD2 LEU A 9 -5.767 -1.794 6.448 1.00 0.00 C ATOM 0 H LEU A 9 -2.259 -4.659 6.049 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.133 -3.104 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.032 -2.865 6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.338 -1.401 5.950 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.159 -2.936 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.208 -4.470 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.554 -4.979 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.873 -4.176 7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.816 -2.078 6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.504 -1.692 7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.606 -0.843 5.940 1.00 0.00 H new ATOM 136 N LEU A 10 -0.274 -2.228 5.193 1.00 0.00 N ATOM 137 CA LEU A 10 0.887 -1.361 5.026 1.00 0.00 C ATOM 138 C LEU A 10 1.477 -1.508 3.626 1.00 0.00 C ATOM 139 O LEU A 10 2.031 -0.559 3.073 1.00 0.00 O ATOM 140 CB LEU A 10 1.948 -1.691 6.081 1.00 0.00 C ATOM 141 CG LEU A 10 3.293 -0.984 5.898 1.00 0.00 C ATOM 142 CD1 LEU A 10 3.094 0.517 5.763 1.00 0.00 C ATOM 143 CD2 LEU A 10 4.220 -1.299 7.062 1.00 0.00 C ATOM 0 H LEU A 10 -0.142 -2.984 5.865 1.00 0.00 H new ATOM 0 HA LEU A 10 0.564 -0.328 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.552 -1.435 7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.118 -2.768 6.077 1.00 0.00 H new ATOM 0 HG LEU A 10 3.754 -1.351 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.061 1.002 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.466 0.724 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.612 0.902 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.172 -0.789 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.764 -0.959 7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.389 -2.375 7.112 1.00 0.00 H new ATOM 155 N LEU A 11 1.352 -2.704 3.060 1.00 0.00 N ATOM 156 CA LEU A 11 1.872 -2.976 1.726 1.00 0.00 C ATOM 157 C LEU A 11 0.835 -2.641 0.656 1.00 0.00 C ATOM 158 O LEU A 11 1.184 -2.327 -0.481 1.00 0.00 O ATOM 159 CB LEU A 11 2.291 -4.445 1.609 1.00 0.00 C ATOM 160 CG LEU A 11 3.636 -4.681 0.922 1.00 0.00 C ATOM 161 CD1 LEU A 11 4.027 -6.148 1.005 1.00 0.00 C ATOM 162 CD2 LEU A 11 3.580 -4.224 -0.528 1.00 0.00 C ATOM 0 H LEU A 11 0.895 -3.500 3.505 1.00 0.00 H new ATOM 0 HA LEU A 11 2.745 -2.343 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.330 -4.877 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.520 -4.984 1.059 1.00 0.00 H new ATOM 0 HG LEU A 11 4.395 -4.094 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.987 -6.297 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.107 -6.445 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.267 -6.755 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.546 -4.399 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.809 -4.785 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.345 -3.160 -0.565 1.00 0.00 H new ATOM 174 N LEU A 12 -0.439 -2.712 1.029 1.00 0.00 N ATOM 175 CA LEU A 12 -1.525 -2.417 0.102 1.00 0.00 C ATOM 176 C LEU A 12 -1.517 -0.944 -0.295 1.00 0.00 C ATOM 177 O LEU A 12 -1.933 -0.586 -1.397 1.00 0.00 O ATOM 178 CB LEU A 12 -2.870 -2.781 0.731 1.00 0.00 C ATOM 179 CG LEU A 12 -4.093 -2.467 -0.130 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.458 -3.663 -0.994 1.00 0.00 C ATOM 181 CD2 LEU A 12 -5.270 -2.058 0.743 1.00 0.00 C ATOM 0 H LEU A 12 -0.744 -2.971 1.967 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.377 -3.016 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.870 -3.847 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.966 -2.251 1.679 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.847 -1.632 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.331 -3.421 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.620 -3.910 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.685 -4.517 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.132 -1.838 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.517 -2.872 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.005 -1.171 1.318 1.00 0.00 H new ATOM 193 N THR A 13 -1.042 -0.094 0.609 1.00 0.00 N ATOM 194 CA THR A 13 -0.981 1.340 0.352 1.00 0.00 C ATOM 195 C THR A 13 0.413 1.752 -0.110 1.00 0.00 C ATOM 196 O THR A 13 0.844 2.883 0.118 1.00 0.00 O ATOM 197 CB THR A 13 -1.366 2.121 1.609 1.00 0.00 C ATOM 198 OG1 THR A 13 -2.570 1.598 2.183 1.00 0.00 O ATOM 199 CG2 THR A 13 -1.567 3.585 1.282 1.00 0.00 C ATOM 0 H THR A 13 -0.694 -0.373 1.526 1.00 0.00 H new ATOM 0 HA THR A 13 -1.690 1.572 -0.443 1.00 0.00 H new ATOM 0 HB THR A 13 -0.553 2.018 2.328 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.366 0.780 2.682 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.841 4.126 2.188 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.643 3.998 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.363 3.687 0.544 1.00 0.00 H new ATOM 207 N SER A 14 1.116 0.828 -0.759 1.00 0.00 N ATOM 208 CA SER A 14 2.462 1.098 -1.252 1.00 0.00 C ATOM 209 C SER A 14 2.631 0.596 -2.682 1.00 0.00 C ATOM 210 O SER A 14 3.162 1.302 -3.539 1.00 0.00 O ATOM 211 CB SER A 14 3.500 0.440 -0.341 1.00 0.00 C ATOM 212 OG SER A 14 3.604 -0.948 -0.606 1.00 0.00 O ATOM 0 H SER A 14 0.776 -0.113 -0.955 1.00 0.00 H new ATOM 0 HA SER A 14 2.614 2.177 -1.247 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.470 0.915 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.223 0.595 0.702 1.00 0.00 H new ATOM 0 HG SER A 14 2.726 -1.369 -0.495 1.00 0.00 H new ATOM 218 N GLU A 15 2.180 -0.629 -2.932 1.00 0.00 N ATOM 219 CA GLU A 15 2.285 -1.226 -4.259 1.00 0.00 C ATOM 220 C GLU A 15 1.147 -0.757 -5.161 1.00 0.00 C ATOM 221 O GLU A 15 1.334 -0.563 -6.362 1.00 0.00 O ATOM 222 CB GLU A 15 2.272 -2.753 -4.156 1.00 0.00 C ATOM 223 CG GLU A 15 3.453 -3.319 -3.385 1.00 0.00 C ATOM 224 CD GLU A 15 4.725 -3.354 -4.208 1.00 0.00 C ATOM 225 OE1 GLU A 15 4.746 -4.059 -5.238 1.00 0.00 O ATOM 226 OE2 GLU A 15 5.700 -2.674 -3.824 1.00 0.00 O ATOM 0 H GLU A 15 1.739 -1.227 -2.234 1.00 0.00 H new ATOM 0 HA GLU A 15 3.229 -0.905 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.348 -3.069 -3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.267 -3.177 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.620 -2.718 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.213 -4.328 -3.051 1.00 0.00 H new ATOM 233 N ILE A 16 -0.032 -0.577 -4.574 1.00 0.00 N ATOM 234 CA ILE A 16 -1.199 -0.132 -5.326 1.00 0.00 C ATOM 235 C ILE A 16 -1.330 1.390 -5.309 1.00 0.00 C ATOM 236 O ILE A 16 -2.367 1.938 -5.685 1.00 0.00 O ATOM 237 CB ILE A 16 -2.495 -0.752 -4.768 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.328 -2.263 -4.591 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.670 -0.447 -5.684 1.00 0.00 C ATOM 240 CD1 ILE A 16 -2.072 -2.680 -3.158 1.00 0.00 C ATOM 0 H ILE A 16 -0.204 -0.732 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.053 -0.466 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.699 -0.310 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.226 -2.764 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.501 -2.604 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.576 -0.893 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.800 0.632 -5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.477 -0.862 -6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.964 -3.763 -3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.158 -2.207 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.910 -2.370 -2.534 1.00 0.00 H new ATOM 252 N ASP A 17 -0.275 2.073 -4.873 1.00 0.00 N ATOM 253 CA ASP A 17 -0.278 3.529 -4.811 1.00 0.00 C ATOM 254 C ASP A 17 0.424 4.128 -6.023 1.00 0.00 C ATOM 255 O ASP A 17 0.958 5.236 -5.964 1.00 0.00 O ATOM 256 CB ASP A 17 0.402 3.997 -3.529 1.00 0.00 C ATOM 257 CG ASP A 17 -0.264 5.220 -2.930 1.00 0.00 C ATOM 258 OD1 ASP A 17 -1.451 5.459 -3.234 1.00 0.00 O ATOM 259 OD2 ASP A 17 0.403 5.939 -2.156 1.00 0.00 O ATOM 0 H ASP A 17 0.593 1.640 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.313 3.870 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.390 3.187 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.448 4.223 -3.738 1.00 0.00 H new ATOM 264 N LEU A 18 0.417 3.384 -7.117 1.00 0.00 N ATOM 265 CA LEU A 18 1.051 3.827 -8.353 1.00 0.00 C ATOM 266 C LEU A 18 0.277 4.982 -8.992 1.00 0.00 C ATOM 267 O LEU A 18 0.851 6.033 -9.277 1.00 0.00 O ATOM 268 CB LEU A 18 1.173 2.665 -9.342 1.00 0.00 C ATOM 269 CG LEU A 18 1.501 1.307 -8.717 1.00 0.00 C ATOM 270 CD1 LEU A 18 1.729 0.263 -9.798 1.00 0.00 C ATOM 271 CD2 LEU A 18 2.720 1.416 -7.813 1.00 0.00 C ATOM 0 H LEU A 18 -0.023 2.465 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 18 2.050 4.184 -8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.236 2.577 -9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.947 2.908 -10.070 1.00 0.00 H new ATOM 0 HG LEU A 18 0.651 0.993 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.961 -0.696 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.829 0.165 -10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.561 0.571 -10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.938 0.441 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.577 1.753 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.519 2.133 -7.016 1.00 0.00 H new ATOM 283 N PRO A 19 -1.039 4.811 -9.232 1.00 0.00 N ATOM 284 CA PRO A 19 -1.865 5.858 -9.843 1.00 0.00 C ATOM 285 C PRO A 19 -1.964 7.103 -8.970 1.00 0.00 C ATOM 286 O PRO A 19 -1.661 8.210 -9.413 1.00 0.00 O ATOM 287 CB PRO A 19 -3.242 5.200 -9.993 1.00 0.00 C ATOM 288 CG PRO A 19 -3.243 4.072 -9.021 1.00 0.00 C ATOM 289 CD PRO A 19 -1.821 3.596 -8.932 1.00 0.00 C ATOM 0 HA PRO A 19 -1.442 6.203 -10.787 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.042 5.907 -9.776 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.399 4.843 -11.011 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.606 4.398 -8.046 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.902 3.271 -9.355 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.589 3.202 -7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.618 2.799 -9.648 1.00 0.00 H new ATOM 297 N VAL A 20 -2.392 6.911 -7.727 1.00 0.00 N ATOM 298 CA VAL A 20 -2.533 8.018 -6.784 1.00 0.00 C ATOM 299 C VAL A 20 -1.274 8.881 -6.744 1.00 0.00 C ATOM 300 O VAL A 20 -1.340 10.077 -6.456 1.00 0.00 O ATOM 301 CB VAL A 20 -2.836 7.509 -5.363 1.00 0.00 C ATOM 302 CG1 VAL A 20 -3.178 8.668 -4.440 1.00 0.00 C ATOM 303 CG2 VAL A 20 -3.965 6.488 -5.389 1.00 0.00 C ATOM 0 H VAL A 20 -2.648 5.999 -7.348 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.370 8.622 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.942 7.019 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.389 8.287 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.336 9.358 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.055 9.191 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.164 6.140 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.864 6.950 -5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.676 5.642 -6.013 1.00 0.00 H new