USER MOD reduce.3.24.130724 H: found=0, std=0, add=165, rem=0, adj=4 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+ 175:sc= -0.12 (180deg=-0.191) USER MOD Single : A 11 SER OG : rot 93:sc= 1.14 USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.183) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00731) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -7.393 8.018 -6.502 1.00 0.00 N ATOM 2 CA ILE A 1 -7.628 9.438 -6.873 1.00 0.00 C ATOM 3 C ILE A 1 -6.445 10.314 -6.473 1.00 0.00 C ATOM 4 O ILE A 1 -6.182 11.338 -7.103 1.00 0.00 O ATOM 5 CB ILE A 1 -8.912 9.986 -6.212 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.182 11.423 -6.667 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.810 9.915 -4.694 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.764 11.517 -8.061 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.246 7.460 -6.708 1.00 0.00 H new ATOM 0 H2 ILE A 1 -6.593 7.644 -7.051 1.00 0.00 H new ATOM 0 H3 ILE A 1 -7.175 7.956 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.746 9.468 -7.956 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.749 9.363 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -9.867 11.895 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -8.250 11.988 -6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.725 10.306 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.671 8.878 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -7.960 10.510 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.929 12.564 -8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -9.070 11.074 -8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.712 10.981 -8.096 1.00 0.00 H new HETATM 22 N DIL A 2 -5.737 9.903 -5.422 1.00 0.00 N HETATM 23 CA DIL A 2 -4.580 10.643 -4.922 1.00 0.00 C HETATM 24 C DIL A 2 -3.346 10.446 -5.806 1.00 0.00 C HETATM 25 O DIL A 2 -2.243 10.837 -5.427 1.00 0.00 O HETATM 26 CB DIL A 2 -4.890 12.149 -4.795 1.00 0.00 C HETATM 27 CG1 DIL A 2 -3.678 12.910 -4.246 1.00 0.00 C HETATM 28 CG2 DIL A 2 -6.105 12.361 -3.902 1.00 0.00 C HETATM 29 CD1 DIL A 2 -3.956 14.370 -3.954 1.00 0.00 C HETATM 0 HG23 DIL A 2 -6.968 11.854 -4.335 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -5.904 11.953 -2.911 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -6.314 13.428 -3.820 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -3.339 12.424 -3.331 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -2.861 12.842 -4.965 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -4.265 14.872 -4.871 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -4.751 14.448 -3.212 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -3.052 14.843 -3.569 1.00 0.00 H new HETATM 0 HB DIL A 2 -5.113 12.541 -5.787 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.360 10.240 -3.933 1.00 0.00 H new ATOM 41 N GLY A 3 -3.526 9.834 -6.975 1.00 0.00 N ATOM 42 CA GLY A 3 -2.406 9.604 -7.869 1.00 0.00 C ATOM 43 C GLY A 3 -1.304 8.787 -7.217 1.00 0.00 C ATOM 44 O GLY A 3 -1.464 7.584 -7.012 1.00 0.00 O ATOM 0 H GLY A 3 -4.425 9.495 -7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.758 9.088 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.001 10.562 -8.194 1.00 0.00 H new ATOM 48 N PRO A 4 -0.160 9.414 -6.880 1.00 0.00 N ATOM 49 CA PRO A 4 0.965 8.716 -6.248 1.00 0.00 C ATOM 50 C PRO A 4 0.671 8.275 -4.815 1.00 0.00 C ATOM 51 O PRO A 4 1.494 7.612 -4.184 1.00 0.00 O ATOM 52 CB PRO A 4 2.085 9.752 -6.267 1.00 0.00 C ATOM 53 CG PRO A 4 1.378 11.056 -6.279 1.00 0.00 C ATOM 54 CD PRO A 4 0.135 10.842 -7.094 1.00 0.00 C ATOM 0 HA PRO A 4 1.205 7.793 -6.775 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.730 9.657 -5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.720 9.636 -7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.131 11.376 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.003 11.835 -6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.683 11.478 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.300 11.067 -8.148 1.00 0.00 H new ATOM 62 N VAL A 5 -0.510 8.623 -4.309 1.00 0.00 N ATOM 63 CA VAL A 5 -0.903 8.237 -2.960 1.00 0.00 C ATOM 64 C VAL A 5 -1.498 6.842 -2.988 1.00 0.00 C ATOM 65 O VAL A 5 -1.311 6.042 -2.071 1.00 0.00 O ATOM 66 CB VAL A 5 -1.931 9.218 -2.363 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.240 8.858 -0.917 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.424 10.648 -2.465 1.00 0.00 C ATOM 0 H VAL A 5 -1.208 9.170 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.012 8.258 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.854 9.140 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.968 9.563 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.649 7.849 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.325 8.905 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.162 11.327 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.486 10.741 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.259 10.902 -3.512 1.00 0.00 H new ATOM 78 N LEU A 6 -2.207 6.567 -4.071 1.00 0.00 N ATOM 79 CA LEU A 6 -2.842 5.283 -4.283 1.00 0.00 C ATOM 80 C LEU A 6 -1.793 4.179 -4.374 1.00 0.00 C ATOM 81 O LEU A 6 -1.895 3.152 -3.702 1.00 0.00 O ATOM 82 CB LEU A 6 -3.663 5.357 -5.569 1.00 0.00 C ATOM 83 CG LEU A 6 -4.170 4.020 -6.116 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.605 3.774 -5.676 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.063 3.994 -7.633 1.00 0.00 C ATOM 0 H LEU A 6 -2.357 7.233 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.496 5.048 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.522 6.004 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.056 5.835 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.547 3.222 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.949 2.819 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.653 3.752 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.243 4.574 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.427 3.037 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.663 4.800 -8.054 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.022 4.126 -7.927 1.00 0.00 H new ATOM 97 N GLY A 7 -0.779 4.407 -5.202 1.00 0.00 N ATOM 98 CA GLY A 7 0.285 3.433 -5.361 1.00 0.00 C ATOM 99 C GLY A 7 1.159 3.336 -4.126 1.00 0.00 C ATOM 100 O GLY A 7 1.815 2.323 -3.899 1.00 0.00 O ATOM 0 H GLY A 7 -0.675 5.250 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.148 2.456 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.900 3.705 -6.219 1.00 0.00 H new ATOM 104 N LEU A 8 1.153 4.396 -3.323 1.00 0.00 N ATOM 105 CA LEU A 8 1.927 4.454 -2.097 1.00 0.00 C ATOM 106 C LEU A 8 1.249 3.625 -1.017 1.00 0.00 C ATOM 107 O LEU A 8 1.895 2.961 -0.207 1.00 0.00 O ATOM 108 CB LEU A 8 2.019 5.917 -1.658 1.00 0.00 C ATOM 109 CG LEU A 8 1.674 6.185 -0.202 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.690 5.536 0.728 1.00 0.00 C ATOM 111 CD2 LEU A 8 1.576 7.681 0.060 1.00 0.00 C ATOM 0 H LEU A 8 0.609 5.238 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 8 2.926 4.051 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.033 6.271 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.354 6.509 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 8 0.701 5.739 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.420 5.743 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.698 4.459 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.681 5.941 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.328 7.851 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.531 8.154 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.798 8.111 -0.571 1.00 0.00 H new ATOM 123 N VAL A 9 -0.069 3.687 -1.036 1.00 0.00 N ATOM 124 CA VAL A 9 -0.907 2.981 -0.092 1.00 0.00 C ATOM 125 C VAL A 9 -0.979 1.518 -0.484 1.00 0.00 C ATOM 126 O VAL A 9 -0.745 0.626 0.330 1.00 0.00 O ATOM 127 CB VAL A 9 -2.303 3.642 -0.056 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.360 2.814 -0.782 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.727 3.916 1.379 1.00 0.00 C ATOM 0 H VAL A 9 -0.592 4.237 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.487 3.036 0.912 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.222 4.589 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.322 3.323 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.073 2.693 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.441 1.834 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.713 4.382 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.766 2.978 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.007 4.585 1.850 1.00 0.00 H new ATOM 139 N GLY A 10 -1.247 1.290 -1.761 1.00 0.00 N ATOM 140 CA GLY A 10 -1.284 -0.056 -2.275 1.00 0.00 C ATOM 141 C GLY A 10 0.098 -0.660 -2.230 1.00 0.00 C ATOM 142 O GLY A 10 0.256 -1.881 -2.224 1.00 0.00 O ATOM 0 H GLY A 10 -1.440 2.018 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.974 -0.661 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.656 -0.053 -3.299 1.00 0.00 H new ATOM 146 N SER A 11 1.110 0.213 -2.170 1.00 0.00 N ATOM 147 CA SER A 11 2.492 -0.242 -2.094 1.00 0.00 C ATOM 148 C SER A 11 2.739 -0.872 -0.733 1.00 0.00 C ATOM 149 O SER A 11 3.314 -1.956 -0.626 1.00 0.00 O ATOM 150 CB SER A 11 3.462 0.921 -2.315 1.00 0.00 C ATOM 151 OG SER A 11 3.883 0.986 -3.667 1.00 0.00 O ATOM 0 H SER A 11 0.995 1.226 -2.173 1.00 0.00 H new ATOM 0 HA SER A 11 2.663 -0.980 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.980 1.858 -2.036 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.330 0.803 -1.666 1.00 0.00 H new ATOM 0 HG SER A 11 3.300 1.599 -4.162 1.00 0.00 H new ATOM 157 N ALA A 12 2.276 -0.186 0.306 1.00 0.00 N ATOM 158 CA ALA A 12 2.417 -0.667 1.669 1.00 0.00 C ATOM 159 C ALA A 12 1.323 -1.676 1.998 1.00 0.00 C ATOM 160 O ALA A 12 1.500 -2.540 2.856 1.00 0.00 O ATOM 161 CB ALA A 12 2.378 0.498 2.648 1.00 0.00 C ATOM 0 H ALA A 12 1.797 0.711 0.226 1.00 0.00 H new ATOM 0 HA ALA A 12 3.382 -1.166 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.485 0.122 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.194 1.186 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.427 1.022 2.553 1.00 0.00 H new ATOM 167 N LEU A 13 0.187 -1.562 1.307 1.00 0.00 N ATOM 168 CA LEU A 13 -0.932 -2.473 1.529 1.00 0.00 C ATOM 169 C LEU A 13 -0.498 -3.914 1.316 1.00 0.00 C ATOM 170 O LEU A 13 -0.692 -4.770 2.179 1.00 0.00 O ATOM 171 CB LEU A 13 -2.056 -2.148 0.561 1.00 0.00 C ATOM 172 CG LEU A 13 -3.412 -2.767 0.903 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.076 -2.003 2.039 1.00 0.00 C ATOM 174 CD2 LEU A 13 -4.311 -2.789 -0.324 1.00 0.00 C ATOM 0 H LEU A 13 0.020 -0.852 0.594 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.276 -2.351 2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.171 -1.065 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.764 -2.481 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.250 -3.794 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.040 -2.458 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.438 -2.038 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.226 -0.965 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.272 -3.233 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.466 -1.770 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.840 -3.380 -1.110 1.00 0.00 H new ATOM 186 N GLY A 14 0.119 -4.163 0.168 1.00 0.00 N ATOM 187 CA GLY A 14 0.606 -5.491 -0.133 1.00 0.00 C ATOM 188 C GLY A 14 1.722 -5.876 0.809 1.00 0.00 C ATOM 189 O GLY A 14 2.025 -7.056 0.991 1.00 0.00 O ATOM 0 H GLY A 14 0.290 -3.468 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.209 -6.210 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.963 -5.528 -1.162 1.00 0.00 H new ATOM 193 N GLY A 15 2.331 -4.860 1.412 1.00 0.00 N ATOM 194 CA GLY A 15 3.418 -5.087 2.346 1.00 0.00 C ATOM 195 C GLY A 15 2.942 -5.718 3.637 1.00 0.00 C ATOM 196 O GLY A 15 3.671 -6.483 4.268 1.00 0.00 O ATOM 0 H GLY A 15 2.089 -3.879 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.164 -5.732 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.909 -4.139 2.567 1.00 0.00 H new ATOM 200 N LEU A 16 1.705 -5.415 4.020 1.00 0.00 N ATOM 201 CA LEU A 16 1.121 -5.971 5.227 1.00 0.00 C ATOM 202 C LEU A 16 0.697 -7.404 4.966 1.00 0.00 C ATOM 203 O LEU A 16 0.690 -8.243 5.868 1.00 0.00 O ATOM 204 CB LEU A 16 -0.082 -5.137 5.673 1.00 0.00 C ATOM 205 CG LEU A 16 -0.847 -5.692 6.876 1.00 0.00 C ATOM 206 CD1 LEU A 16 -0.198 -5.240 8.175 1.00 0.00 C ATOM 207 CD2 LEU A 16 -2.304 -5.258 6.826 1.00 0.00 C ATOM 0 H LEU A 16 1.089 -4.785 3.507 1.00 0.00 H new ATOM 0 HA LEU A 16 1.864 -5.952 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.262 -4.131 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.772 -5.046 4.834 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.811 -6.781 6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.755 -5.644 9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.830 -5.600 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.203 -4.151 8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.834 -5.661 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.360 -4.170 6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.764 -5.632 5.911 1.00 0.00 H new ATOM 219 N LEU A 17 0.346 -7.674 3.713 1.00 0.00 N ATOM 220 CA LEU A 17 -0.081 -8.998 3.312 1.00 0.00 C ATOM 221 C LEU A 17 1.053 -10.002 3.485 1.00 0.00 C ATOM 222 O LEU A 17 0.851 -11.105 3.993 1.00 0.00 O ATOM 223 CB LEU A 17 -0.558 -8.986 1.857 1.00 0.00 C ATOM 224 CG LEU A 17 -2.077 -8.996 1.676 1.00 0.00 C ATOM 225 CD1 LEU A 17 -2.438 -8.938 0.200 1.00 0.00 C ATOM 226 CD2 LEU A 17 -2.683 -10.230 2.327 1.00 0.00 C ATOM 0 H LEU A 17 0.351 -6.987 2.959 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.911 -9.299 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.154 -8.101 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.140 -9.853 1.346 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.488 -8.113 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.522 -8.946 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.036 -8.024 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.015 -9.802 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.764 -10.221 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.266 -11.126 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.454 -10.229 3.393 1.00 0.00 H new ATOM 238 N LYS A 18 2.250 -9.606 3.062 1.00 0.00 N ATOM 239 CA LYS A 18 3.424 -10.464 3.169 1.00 0.00 C ATOM 240 C LYS A 18 3.828 -10.659 4.615 1.00 0.00 C ATOM 241 O LYS A 18 4.324 -11.722 4.986 1.00 0.00 O ATOM 242 CB LYS A 18 4.596 -9.875 2.380 1.00 0.00 C ATOM 243 CG LYS A 18 5.886 -10.672 2.517 1.00 0.00 C ATOM 244 CD LYS A 18 6.695 -10.227 3.728 1.00 0.00 C ATOM 245 CE LYS A 18 7.265 -11.415 4.491 1.00 0.00 C ATOM 246 NZ LYS A 18 8.046 -12.321 3.604 1.00 0.00 N ATOM 0 H LYS A 18 2.432 -8.695 2.641 1.00 0.00 H new ATOM 0 HA LYS A 18 3.163 -11.435 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.323 -9.821 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.773 -8.853 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.651 -11.733 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.486 -10.553 1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.509 -9.578 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.062 -9.638 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.905 -11.056 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.451 -11.973 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.684 -12.906 4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.395 -12.936 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.606 -11.754 2.935 1.00 0.00 H new ATOM 260 N LYS A 19 3.639 -9.634 5.429 1.00 0.00 N ATOM 261 CA LYS A 19 4.027 -9.728 6.817 1.00 0.00 C ATOM 262 C LYS A 19 3.224 -10.774 7.566 1.00 0.00 C ATOM 263 O LYS A 19 2.005 -10.873 7.425 1.00 0.00 O ATOM 264 CB LYS A 19 3.964 -8.372 7.514 1.00 0.00 C ATOM 265 CG LYS A 19 5.342 -7.795 7.812 1.00 0.00 C ATOM 266 CD LYS A 19 6.231 -8.800 8.541 1.00 0.00 C ATOM 267 CE LYS A 19 6.928 -9.759 7.576 1.00 0.00 C ATOM 268 NZ LYS A 19 8.397 -9.814 7.814 1.00 0.00 N ATOM 0 H LYS A 19 3.226 -8.743 5.154 1.00 0.00 H new ATOM 0 HA LYS A 19 5.067 -10.055 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.410 -7.672 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.409 -8.474 8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.820 -7.496 6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.236 -6.896 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.981 -8.264 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.628 -9.371 9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.504 -10.757 7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.738 -9.444 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.822 -10.536 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.818 -8.887 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.579 -10.057 8.809 1.00 0.00 H new ATOM 282 N ILE A 20 3.941 -11.568 8.351 1.00 0.00 N ATOM 283 CA ILE A 20 3.342 -12.634 9.124 1.00 0.00 C ATOM 284 C ILE A 20 2.348 -12.094 10.146 1.00 0.00 C ATOM 285 O ILE A 20 2.290 -10.858 10.318 1.00 0.00 O ATOM 286 CB ILE A 20 4.412 -13.466 9.844 1.00 0.00 C ATOM 287 CG1 ILE A 20 5.574 -13.788 8.894 1.00 0.00 C ATOM 288 CG2 ILE A 20 3.804 -14.744 10.408 1.00 0.00 C ATOM 289 CD1 ILE A 20 6.915 -13.295 9.392 1.00 0.00 C ATOM 290 OXT ILE A 20 1.634 -12.911 10.764 1.00 0.00 O ATOM 0 H ILE A 20 4.951 -11.487 8.466 1.00 0.00 H new ATOM 0 HA ILE A 20 2.808 -13.272 8.420 1.00 0.00 H new ATOM 0 HB ILE A 20 4.805 -12.880 10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.624 -14.867 8.747 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.371 -13.343 7.920 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.577 -15.322 10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.017 -14.490 11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.383 -15.336 9.595 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.690 -13.557 8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.883 -12.212 9.512 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.140 -13.760 10.352 1.00 0.00 H new TER 302 ILE A 20