USER MOD reduce.3.24.130724 H: found=0, std=0, add=165, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 166 hydrogens (11 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 NoAdj-H: A 2 DIL H2 : A 2 DIL N : A 1 ILE C :(H bumps) USER MOD NoAdj-H: A 2 DIL H : A 2 DIL N : A 1 ILE C :(H bumps) USER MOD Single : A 1 ILE N :NH3+ 171:sc= 0 (180deg=-0.0726) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -8.436 9.747 -8.406 1.00 0.00 N ATOM 2 CA ILE A 1 -7.101 9.095 -8.398 1.00 0.00 C ATOM 3 C ILE A 1 -6.094 9.910 -7.606 1.00 0.00 C ATOM 4 O ILE A 1 -5.924 11.100 -7.860 1.00 0.00 O ATOM 5 CB ILE A 1 -6.546 8.916 -9.825 1.00 0.00 C ATOM 6 CG1 ILE A 1 -5.308 8.017 -9.795 1.00 0.00 C ATOM 7 CG2 ILE A 1 -6.206 10.272 -10.435 1.00 0.00 C ATOM 8 CD1 ILE A 1 -5.477 6.728 -10.570 1.00 0.00 C ATOM 0 H1 ILE A 1 -9.060 9.252 -9.075 1.00 0.00 H new ATOM 0 H2 ILE A 1 -8.849 9.705 -7.452 1.00 0.00 H new ATOM 0 H3 ILE A 1 -8.335 10.741 -8.696 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.243 8.119 -7.933 1.00 0.00 H new ATOM 0 HB ILE A 1 -7.308 8.442 -10.444 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -4.460 8.567 -10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -5.067 7.779 -8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -5.815 10.130 -11.443 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -7.105 10.887 -10.478 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.455 10.769 -9.821 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -4.561 6.141 -10.505 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -6.304 6.156 -10.150 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -5.688 6.957 -11.615 1.00 0.00 H new HETATM 22 N DIL A 2 -5.418 9.255 -6.662 1.00 0.00 N HETATM 23 CA DIL A 2 -4.401 9.906 -5.840 1.00 0.00 C HETATM 24 C DIL A 2 -3.016 9.770 -6.469 1.00 0.00 C HETATM 25 O DIL A 2 -2.003 10.011 -5.815 1.00 0.00 O HETATM 26 CB DIL A 2 -4.715 11.400 -5.632 1.00 0.00 C HETATM 27 CG1 DIL A 2 -3.676 12.058 -4.720 1.00 0.00 C HETATM 28 CG2 DIL A 2 -6.115 11.574 -5.061 1.00 0.00 C HETATM 29 CD1 DIL A 2 -3.926 13.531 -4.480 1.00 0.00 C HETATM 0 HG23 DIL A 2 -6.845 11.151 -5.752 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -6.183 11.061 -4.102 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -6.321 12.635 -4.920 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -3.666 11.539 -3.762 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -2.687 11.933 -5.161 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -3.907 14.063 -5.431 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -4.901 13.663 -4.010 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -3.151 13.930 -3.826 1.00 0.00 H new HETATM 0 HB DIL A 2 -4.671 11.894 -6.603 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.409 9.405 -4.872 1.00 0.00 H new ATOM 41 N GLY A 3 -2.975 9.374 -7.738 1.00 0.00 N ATOM 42 CA GLY A 3 -1.705 9.208 -8.418 1.00 0.00 C ATOM 43 C GLY A 3 -0.765 8.279 -7.666 1.00 0.00 C ATOM 44 O GLY A 3 -1.005 7.073 -7.614 1.00 0.00 O ATOM 0 H GLY A 3 -3.797 9.166 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.880 8.812 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.230 10.182 -8.539 1.00 0.00 H new ATOM 48 N PRO A 4 0.324 8.803 -7.071 1.00 0.00 N ATOM 49 CA PRO A 4 1.283 7.992 -6.331 1.00 0.00 C ATOM 50 C PRO A 4 0.871 7.764 -4.877 1.00 0.00 C ATOM 51 O PRO A 4 1.642 7.215 -4.090 1.00 0.00 O ATOM 52 CB PRO A 4 2.579 8.817 -6.390 1.00 0.00 C ATOM 53 CG PRO A 4 2.224 10.126 -7.031 1.00 0.00 C ATOM 54 CD PRO A 4 0.723 10.212 -7.070 1.00 0.00 C ATOM 0 HA PRO A 4 1.372 6.994 -6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.985 8.972 -5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.343 8.297 -6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.642 10.958 -6.464 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.639 10.186 -8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.325 10.746 -6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.370 10.734 -7.959 1.00 0.00 H new ATOM 62 N VAL A 5 -0.349 8.166 -4.521 1.00 0.00 N ATOM 63 CA VAL A 5 -0.841 7.977 -3.161 1.00 0.00 C ATOM 64 C VAL A 5 -1.440 6.592 -3.027 1.00 0.00 C ATOM 65 O VAL A 5 -1.280 5.915 -2.012 1.00 0.00 O ATOM 66 CB VAL A 5 -1.895 9.037 -2.783 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.408 8.812 -1.366 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.315 10.437 -2.934 1.00 0.00 C ATOM 0 H VAL A 5 -1.009 8.621 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 5 0.003 8.088 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.741 8.939 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.150 9.572 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.864 7.824 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.577 8.878 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.070 11.175 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.451 10.545 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.008 10.594 -3.968 1.00 0.00 H new ATOM 78 N LEU A 6 -2.122 6.185 -4.083 1.00 0.00 N ATOM 79 CA LEU A 6 -2.758 4.887 -4.144 1.00 0.00 C ATOM 80 C LEU A 6 -1.724 3.776 -4.000 1.00 0.00 C ATOM 81 O LEU A 6 -1.885 2.864 -3.189 1.00 0.00 O ATOM 82 CB LEU A 6 -3.485 4.765 -5.477 1.00 0.00 C ATOM 83 CG LEU A 6 -4.123 3.404 -5.751 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.096 3.037 -4.639 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.826 3.410 -7.100 1.00 0.00 C ATOM 0 H LEU A 6 -2.249 6.749 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.469 4.789 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.263 5.527 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.780 4.985 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.335 2.651 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.541 2.065 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.563 2.993 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.882 3.790 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.275 2.433 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.604 4.173 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.103 3.628 -7.886 1.00 0.00 H new ATOM 97 N GLY A 7 -0.655 3.872 -4.784 1.00 0.00 N ATOM 98 CA GLY A 7 0.401 2.880 -4.724 1.00 0.00 C ATOM 99 C GLY A 7 1.188 2.965 -3.432 1.00 0.00 C ATOM 100 O GLY A 7 1.810 1.993 -3.011 1.00 0.00 O ATOM 0 H GLY A 7 -0.502 4.620 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.031 1.884 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.076 3.017 -5.569 1.00 0.00 H new ATOM 104 N LEU A 8 1.147 4.134 -2.801 1.00 0.00 N ATOM 105 CA LEU A 8 1.837 4.371 -1.547 1.00 0.00 C ATOM 106 C LEU A 8 1.073 3.718 -0.406 1.00 0.00 C ATOM 107 O LEU A 8 1.650 3.158 0.525 1.00 0.00 O ATOM 108 CB LEU A 8 1.925 5.883 -1.328 1.00 0.00 C ATOM 109 CG LEU A 8 1.483 6.372 0.043 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.435 5.883 1.125 1.00 0.00 C ATOM 111 CD2 LEU A 8 1.373 7.890 0.063 1.00 0.00 C ATOM 0 H LEU A 8 0.632 4.943 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 8 2.838 3.941 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.956 6.197 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.317 6.378 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 8 0.496 5.957 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.099 6.245 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.451 4.793 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.438 6.260 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.056 8.219 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.343 8.328 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.641 8.212 -0.678 1.00 0.00 H new ATOM 123 N VAL A 9 -0.239 3.807 -0.514 1.00 0.00 N ATOM 124 CA VAL A 9 -1.152 3.257 0.463 1.00 0.00 C ATOM 125 C VAL A 9 -1.239 1.755 0.269 1.00 0.00 C ATOM 126 O VAL A 9 -1.085 0.977 1.210 1.00 0.00 O ATOM 127 CB VAL A 9 -2.530 3.943 0.316 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.556 3.049 -0.375 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.045 4.412 1.668 1.00 0.00 C ATOM 0 H VAL A 9 -0.704 4.270 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.795 3.444 1.476 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.386 4.813 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.506 3.578 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.201 2.792 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.695 2.138 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.016 4.892 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.148 3.556 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.341 5.125 2.098 1.00 0.00 H new ATOM 139 N GLY A 10 -1.425 1.363 -0.982 1.00 0.00 N ATOM 140 CA GLY A 10 -1.464 -0.038 -1.318 1.00 0.00 C ATOM 141 C GLY A 10 -0.107 -0.657 -1.086 1.00 0.00 C ATOM 142 O GLY A 10 0.015 -1.869 -0.912 1.00 0.00 O ATOM 0 H GLY A 10 -1.550 1.996 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.214 -0.546 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.758 -0.163 -2.360 1.00 0.00 H new ATOM 146 N SER A 11 0.923 0.196 -1.060 1.00 0.00 N ATOM 147 CA SER A 11 2.283 -0.268 -0.818 1.00 0.00 C ATOM 148 C SER A 11 2.421 -0.687 0.636 1.00 0.00 C ATOM 149 O SER A 11 3.001 -1.728 0.947 1.00 0.00 O ATOM 150 CB SER A 11 3.301 0.829 -1.146 1.00 0.00 C ATOM 151 OG SER A 11 4.523 0.617 -0.461 1.00 0.00 O ATOM 0 H SER A 11 0.837 1.202 -1.203 1.00 0.00 H new ATOM 0 HA SER A 11 2.483 -1.121 -1.466 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.483 0.850 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.892 1.802 -0.872 1.00 0.00 H new ATOM 0 HG SER A 11 5.154 1.331 -0.690 1.00 0.00 H new ATOM 157 N ALA A 12 1.864 0.131 1.522 1.00 0.00 N ATOM 158 CA ALA A 12 1.899 -0.143 2.947 1.00 0.00 C ATOM 159 C ALA A 12 0.794 -1.121 3.330 1.00 0.00 C ATOM 160 O ALA A 12 0.950 -1.912 4.260 1.00 0.00 O ATOM 161 CB ALA A 12 1.767 1.149 3.739 1.00 0.00 C ATOM 0 H ALA A 12 1.381 0.994 1.272 1.00 0.00 H new ATOM 0 HA ALA A 12 2.859 -0.599 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.795 0.926 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.591 1.817 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.821 1.631 3.494 1.00 0.00 H new ATOM 167 N LEU A 13 -0.323 -1.067 2.605 1.00 0.00 N ATOM 168 CA LEU A 13 -1.446 -1.959 2.878 1.00 0.00 C ATOM 169 C LEU A 13 -1.105 -3.384 2.475 1.00 0.00 C ATOM 170 O LEU A 13 -1.226 -4.316 3.270 1.00 0.00 O ATOM 171 CB LEU A 13 -2.672 -1.506 2.105 1.00 0.00 C ATOM 172 CG LEU A 13 -3.354 -0.244 2.636 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.391 0.259 1.644 1.00 0.00 C ATOM 174 CD2 LEU A 13 -3.997 -0.514 3.988 1.00 0.00 C ATOM 0 H LEU A 13 -0.473 -0.420 1.831 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.653 -1.927 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.383 -1.333 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.399 -2.318 2.103 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.596 0.529 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.866 1.157 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.905 0.492 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.146 -0.511 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.477 0.395 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.743 -1.302 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.232 -0.828 4.698 1.00 0.00 H new ATOM 186 N GLY A 14 -0.647 -3.537 1.240 1.00 0.00 N ATOM 187 CA GLY A 14 -0.260 -4.843 0.752 1.00 0.00 C ATOM 188 C GLY A 14 1.035 -5.288 1.388 1.00 0.00 C ATOM 189 O GLY A 14 1.357 -6.476 1.414 1.00 0.00 O ATOM 0 H GLY A 14 -0.537 -2.778 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.046 -5.566 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.147 -4.813 -0.332 1.00 0.00 H new ATOM 193 N GLY A 15 1.780 -4.314 1.903 1.00 0.00 N ATOM 194 CA GLY A 15 3.050 -4.603 2.544 1.00 0.00 C ATOM 195 C GLY A 15 2.915 -5.589 3.688 1.00 0.00 C ATOM 196 O GLY A 15 3.707 -6.523 3.806 1.00 0.00 O ATOM 0 H GLY A 15 1.525 -3.326 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.743 -5.003 1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.483 -3.675 2.918 1.00 0.00 H new ATOM 200 N LEU A 16 1.898 -5.392 4.521 1.00 0.00 N ATOM 201 CA LEU A 16 1.652 -6.278 5.646 1.00 0.00 C ATOM 202 C LEU A 16 1.005 -7.559 5.154 1.00 0.00 C ATOM 203 O LEU A 16 1.173 -8.626 5.745 1.00 0.00 O ATOM 204 CB LEU A 16 0.752 -5.596 6.678 1.00 0.00 C ATOM 205 CG LEU A 16 0.401 -6.453 7.897 1.00 0.00 C ATOM 206 CD1 LEU A 16 0.595 -5.664 9.183 1.00 0.00 C ATOM 207 CD2 LEU A 16 -1.028 -6.966 7.795 1.00 0.00 C ATOM 0 H LEU A 16 1.232 -4.624 4.435 1.00 0.00 H new ATOM 0 HA LEU A 16 2.603 -6.516 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.244 -4.686 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.173 -5.293 6.187 1.00 0.00 H new ATOM 0 HG LEU A 16 1.074 -7.310 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.340 -6.292 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.635 -5.348 9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.051 -4.786 9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.260 -7.573 8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.715 -6.121 7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.134 -7.572 6.895 1.00 0.00 H new ATOM 219 N LEU A 17 0.264 -7.440 4.057 1.00 0.00 N ATOM 220 CA LEU A 17 -0.413 -8.579 3.472 1.00 0.00 C ATOM 221 C LEU A 17 0.594 -9.657 3.086 1.00 0.00 C ATOM 222 O LEU A 17 0.485 -10.807 3.510 1.00 0.00 O ATOM 223 CB LEU A 17 -1.223 -8.149 2.246 1.00 0.00 C ATOM 224 CG LEU A 17 -2.650 -8.698 2.185 1.00 0.00 C ATOM 225 CD1 LEU A 17 -3.342 -8.243 0.909 1.00 0.00 C ATOM 226 CD2 LEU A 17 -2.644 -10.218 2.281 1.00 0.00 C ATOM 0 H LEU A 17 0.120 -6.562 3.558 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.097 -8.990 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.268 -7.060 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.690 -8.465 1.349 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.207 -8.305 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.356 -8.643 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.381 -7.154 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.786 -8.606 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.668 -10.589 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.071 -10.633 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.189 -10.521 3.224 1.00 0.00 H new ATOM 238 N LYS A 18 1.580 -9.268 2.283 1.00 0.00 N ATOM 239 CA LYS A 18 2.617 -10.191 1.842 1.00 0.00 C ATOM 240 C LYS A 18 3.507 -10.595 3.000 1.00 0.00 C ATOM 241 O LYS A 18 3.669 -11.782 3.278 1.00 0.00 O ATOM 242 CB LYS A 18 3.456 -9.559 0.722 1.00 0.00 C ATOM 243 CG LYS A 18 4.807 -10.232 0.490 1.00 0.00 C ATOM 244 CD LYS A 18 4.688 -11.750 0.411 1.00 0.00 C ATOM 245 CE LYS A 18 5.690 -12.441 1.326 1.00 0.00 C ATOM 246 NZ LYS A 18 6.406 -13.547 0.632 1.00 0.00 N ATOM 0 H LYS A 18 1.681 -8.318 1.925 1.00 0.00 H new ATOM 0 HA LYS A 18 2.132 -11.087 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.884 -9.590 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.623 -8.508 0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.245 -9.855 -0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.488 -9.964 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.677 -12.051 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.849 -12.075 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.414 -11.711 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.171 -12.836 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.079 -13.991 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.718 -14.257 0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.922 -13.167 -0.187 1.00 0.00 H new ATOM 260 N LYS A 19 4.096 -9.616 3.667 1.00 0.00 N ATOM 261 CA LYS A 19 4.983 -9.916 4.769 1.00 0.00 C ATOM 262 C LYS A 19 4.259 -10.615 5.905 1.00 0.00 C ATOM 263 O LYS A 19 3.256 -10.126 6.425 1.00 0.00 O ATOM 264 CB LYS A 19 5.712 -8.669 5.261 1.00 0.00 C ATOM 265 CG LYS A 19 7.198 -8.682 4.924 1.00 0.00 C ATOM 266 CD LYS A 19 7.874 -9.965 5.397 1.00 0.00 C ATOM 267 CE LYS A 19 7.725 -11.101 4.387 1.00 0.00 C ATOM 268 NZ LYS A 19 9.031 -11.747 4.081 1.00 0.00 N ATOM 0 H LYS A 19 3.976 -8.623 3.466 1.00 0.00 H new ATOM 0 HA LYS A 19 5.735 -10.608 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.251 -7.786 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.590 -8.585 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.327 -8.579 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.683 -7.823 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.933 -9.773 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.444 -10.270 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.034 -11.847 4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.287 -10.714 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.887 -12.512 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.683 -11.041 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.437 -12.139 4.954 1.00 0.00 H new ATOM 282 N ILE A 20 4.781 -11.780 6.266 1.00 0.00 N ATOM 283 CA ILE A 20 4.209 -12.587 7.322 1.00 0.00 C ATOM 284 C ILE A 20 4.167 -11.832 8.645 1.00 0.00 C ATOM 285 O ILE A 20 5.250 -11.565 9.209 1.00 0.00 O ATOM 286 CB ILE A 20 4.988 -13.896 7.507 1.00 0.00 C ATOM 287 CG1 ILE A 20 5.234 -14.572 6.153 1.00 0.00 C ATOM 288 CG2 ILE A 20 4.242 -14.830 8.448 1.00 0.00 C ATOM 289 CD1 ILE A 20 6.693 -14.868 5.883 1.00 0.00 C ATOM 290 OXT ILE A 20 3.052 -11.512 9.108 1.00 0.00 O ATOM 0 H ILE A 20 5.610 -12.186 5.833 1.00 0.00 H new ATOM 0 HA ILE A 20 3.188 -12.820 7.020 1.00 0.00 H new ATOM 0 HB ILE A 20 5.955 -13.663 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.669 -15.503 6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.849 -13.931 5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.808 -15.754 8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.122 -14.349 9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.260 -15.058 8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.793 -15.346 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.261 -13.937 5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.078 -15.534 6.655 1.00 0.00 H new TER 302 ILE A 20