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= -0.155 (180deg=-0.235) USER MOD Single : A 11 SER OG : rot 99:sc= 1.19 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 -7.235 7.848 -4.762 1.00 0.00 N ATOM 2 CA ILE A 1 -7.789 8.729 -5.823 1.00 0.00 C ATOM 3 C ILE A 1 -6.712 9.643 -6.401 1.00 0.00 C ATOM 4 O ILE A 1 -6.832 10.119 -7.530 1.00 0.00 O ATOM 5 CB ILE A 1 -8.947 9.595 -5.286 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.545 10.444 -6.411 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.467 10.481 -4.146 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.087 9.624 -7.562 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.012 7.349 -4.284 1.00 0.00 H new ATOM 0 H2 ILE A 1 -6.589 7.154 -5.189 1.00 0.00 H new ATOM 0 H3 ILE A 1 -6.715 8.424 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 1 -8.166 8.076 -6.610 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.724 8.933 -4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.347 11.059 -6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -8.781 11.124 -6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.297 11.085 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.087 9.858 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -7.673 11.136 -4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.495 10.290 -8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -9.283 9.028 -7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.874 8.963 -7.199 1.00 0.00 H new HETATM 22 N DIL A 2 -5.662 9.886 -5.623 1.00 0.00 N HETATM 23 CA DIL A 2 -4.573 10.738 -6.058 1.00 0.00 C HETATM 24 C DIL A 2 -3.815 10.098 -7.204 1.00 0.00 C HETATM 25 O DIL A 2 -4.367 9.811 -8.266 1.00 0.00 O HETATM 26 CB DIL A 2 -5.069 12.120 -6.493 1.00 0.00 C HETATM 27 CG1 DIL A 2 -3.888 13.066 -6.718 1.00 0.00 C HETATM 28 CG2 DIL A 2 -6.030 12.693 -5.463 1.00 0.00 C HETATM 29 CD1 DIL A 2 -4.148 14.117 -7.775 1.00 0.00 C HETATM 0 HG23 DIL A 2 -6.887 12.028 -5.356 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -5.521 12.787 -4.503 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -6.371 13.675 -5.790 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -3.645 13.561 -5.778 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -3.014 12.481 -7.006 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -4.362 13.631 -8.727 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -5.002 14.727 -7.480 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -3.268 14.752 -7.881 1.00 0.00 H new HETATM 0 HB DIL A 2 -5.606 12.013 -7.435 1.00 0.00 H new HETATM 0 HA DIL A 2 -3.909 10.862 -5.203 1.00 0.00 H new ATOM 41 N GLY A 3 -2.548 9.874 -6.953 1.00 0.00 N ATOM 42 CA GLY A 3 -1.671 9.257 -7.926 1.00 0.00 C ATOM 43 C GLY A 3 -0.508 8.578 -7.242 1.00 0.00 C ATOM 44 O GLY A 3 -0.354 7.360 -7.327 1.00 0.00 O ATOM 0 H GLY A 3 -2.094 10.113 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.228 8.529 -8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.301 10.012 -8.620 1.00 0.00 H new ATOM 48 N PRO A 4 0.325 9.352 -6.528 1.00 0.00 N ATOM 49 CA PRO A 4 1.467 8.830 -5.800 1.00 0.00 C ATOM 50 C PRO A 4 1.069 8.323 -4.418 1.00 0.00 C ATOM 51 O PRO A 4 1.845 7.641 -3.749 1.00 0.00 O ATOM 52 CB PRO A 4 2.408 10.040 -5.681 1.00 0.00 C ATOM 53 CG PRO A 4 1.658 11.214 -6.240 1.00 0.00 C ATOM 54 CD PRO A 4 0.217 10.799 -6.354 1.00 0.00 C ATOM 0 HA PRO A 4 1.923 7.978 -6.304 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.686 10.215 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.332 9.870 -6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.759 12.082 -5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.056 11.498 -7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.354 11.060 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.278 11.275 -7.200 1.00 0.00 H new ATOM 62 N VAL A 5 -0.157 8.644 -4.004 1.00 0.00 N ATOM 63 CA VAL A 5 -0.666 8.203 -2.712 1.00 0.00 C ATOM 64 C VAL A 5 -1.247 6.810 -2.850 1.00 0.00 C ATOM 65 O VAL A 5 -1.084 5.953 -1.982 1.00 0.00 O ATOM 66 CB VAL A 5 -1.749 9.155 -2.171 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.160 8.753 -0.763 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.258 10.594 -2.202 1.00 0.00 C ATOM 0 H VAL A 5 -0.813 9.207 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 5 0.165 8.201 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.626 9.081 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.926 9.437 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.557 7.738 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.292 8.795 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.036 11.252 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.365 10.687 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.020 10.875 -3.228 1.00 0.00 H new ATOM 78 N LEU A 6 -1.916 6.605 -3.973 1.00 0.00 N ATOM 79 CA LEU A 6 -2.533 5.332 -4.292 1.00 0.00 C ATOM 80 C LEU A 6 -1.477 4.233 -4.358 1.00 0.00 C ATOM 81 O LEU A 6 -1.625 3.175 -3.747 1.00 0.00 O ATOM 82 CB LEU A 6 -3.264 5.463 -5.629 1.00 0.00 C ATOM 83 CG LEU A 6 -3.578 4.146 -6.348 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.046 4.088 -6.743 1.00 0.00 C ATOM 85 CD2 LEU A 6 -2.689 3.979 -7.571 1.00 0.00 C ATOM 0 H LEU A 6 -2.046 7.320 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.247 5.061 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.200 5.995 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.661 6.083 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.375 3.324 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.249 3.146 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.666 4.159 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.276 4.918 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.927 3.038 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.859 4.806 -8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.644 3.972 -7.263 1.00 0.00 H new ATOM 97 N GLY A 7 -0.403 4.501 -5.095 1.00 0.00 N ATOM 98 CA GLY A 7 0.671 3.536 -5.221 1.00 0.00 C ATOM 99 C GLY A 7 1.434 3.357 -3.923 1.00 0.00 C ATOM 100 O GLY A 7 2.044 2.316 -3.693 1.00 0.00 O ATOM 0 H GLY A 7 -0.259 5.371 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.260 2.576 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.358 3.859 -6.003 1.00 0.00 H new ATOM 104 N LEU A 8 1.387 4.378 -3.074 1.00 0.00 N ATOM 105 CA LEU A 8 2.056 4.356 -1.786 1.00 0.00 C ATOM 106 C LEU A 8 1.261 3.511 -0.802 1.00 0.00 C ATOM 107 O LEU A 8 1.812 2.763 0.006 1.00 0.00 O ATOM 108 CB LEU A 8 2.165 5.794 -1.277 1.00 0.00 C ATOM 109 CG LEU A 8 1.706 6.017 0.156 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.624 5.303 1.138 1.00 0.00 C ATOM 111 CD2 LEU A 8 1.627 7.504 0.470 1.00 0.00 C ATOM 0 H LEU A 8 0.882 5.244 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 8 3.050 3.920 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.204 6.113 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.579 6.439 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 8 0.707 5.594 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.275 5.478 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.617 4.233 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.639 5.686 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.297 7.641 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.610 7.956 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.917 7.981 -0.205 1.00 0.00 H new ATOM 123 N VAL A 9 -0.047 3.660 -0.896 1.00 0.00 N ATOM 124 CA VAL A 9 -0.987 2.960 -0.049 1.00 0.00 C ATOM 125 C VAL A 9 -1.129 1.529 -0.529 1.00 0.00 C ATOM 126 O VAL A 9 -0.998 0.582 0.243 1.00 0.00 O ATOM 127 CB VAL A 9 -2.340 3.709 -0.052 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.405 2.987 -0.873 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.825 3.942 1.371 1.00 0.00 C ATOM 0 H VAL A 9 -0.490 4.280 -1.574 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.625 2.932 0.979 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.170 4.673 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.335 3.555 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.069 2.897 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.573 1.993 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.778 4.470 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.953 2.983 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.092 4.540 1.912 1.00 0.00 H new ATOM 139 N GLY A 10 -1.340 1.387 -1.830 1.00 0.00 N ATOM 140 CA GLY A 10 -1.434 0.075 -2.419 1.00 0.00 C ATOM 141 C GLY A 10 -0.110 -0.638 -2.296 1.00 0.00 C ATOM 142 O GLY A 10 -0.043 -1.866 -2.351 1.00 0.00 O ATOM 0 H GLY A 10 -1.447 2.161 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.215 -0.501 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.717 0.157 -3.468 1.00 0.00 H new ATOM 146 N SER A 11 0.954 0.149 -2.101 1.00 0.00 N ATOM 147 CA SER A 11 2.288 -0.415 -1.939 1.00 0.00 C ATOM 148 C SER A 11 2.375 -1.135 -0.602 1.00 0.00 C ATOM 149 O SER A 11 2.826 -2.278 -0.523 1.00 0.00 O ATOM 150 CB SER A 11 3.354 0.680 -2.012 1.00 0.00 C ATOM 151 OG SER A 11 3.921 0.755 -3.309 1.00 0.00 O ATOM 0 H SER A 11 0.913 1.167 -2.053 1.00 0.00 H new ATOM 0 HA SER A 11 2.469 -1.122 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.911 1.641 -1.749 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.137 0.479 -1.281 1.00 0.00 H new ATOM 0 HG SER A 11 3.493 1.479 -3.812 1.00 0.00 H new ATOM 157 N ALA A 12 1.921 -0.455 0.444 1.00 0.00 N ATOM 158 CA ALA A 12 1.924 -1.016 1.784 1.00 0.00 C ATOM 159 C ALA A 12 0.712 -1.916 1.998 1.00 0.00 C ATOM 160 O ALA A 12 0.742 -2.824 2.828 1.00 0.00 O ATOM 161 CB ALA A 12 1.949 0.096 2.822 1.00 0.00 C ATOM 0 H ALA A 12 1.545 0.491 0.386 1.00 0.00 H new ATOM 0 HA ALA A 12 2.822 -1.622 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.951 -0.339 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.847 0.699 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.067 0.726 2.702 1.00 0.00 H new ATOM 167 N LEU A 13 -0.358 -1.660 1.244 1.00 0.00 N ATOM 168 CA LEU A 13 -1.577 -2.456 1.360 1.00 0.00 C ATOM 169 C LEU A 13 -1.277 -3.927 1.128 1.00 0.00 C ATOM 170 O LEU A 13 -1.608 -4.782 1.949 1.00 0.00 O ATOM 171 CB LEU A 13 -2.598 -1.988 0.336 1.00 0.00 C ATOM 172 CG LEU A 13 -4.014 -2.535 0.530 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.686 -1.866 1.719 1.00 0.00 C ATOM 174 CD2 LEU A 13 -4.838 -2.335 -0.733 1.00 0.00 C ATOM 0 H LEU A 13 -0.404 -0.913 0.551 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.977 -2.328 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.640 -0.899 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.249 -2.272 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.947 -3.604 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.692 -2.267 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.106 -2.059 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.743 -0.791 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.842 -2.729 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.897 -1.271 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.366 -2.861 -1.563 1.00 0.00 H new ATOM 186 N GLY A 14 -0.612 -4.203 0.016 1.00 0.00 N ATOM 187 CA GLY A 14 -0.233 -5.562 -0.302 1.00 0.00 C ATOM 188 C GLY A 14 0.940 -5.995 0.545 1.00 0.00 C ATOM 189 O GLY A 14 1.201 -7.186 0.712 1.00 0.00 O ATOM 0 H GLY A 14 -0.328 -3.507 -0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.077 -6.230 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.026 -5.636 -1.358 1.00 0.00 H new ATOM 193 N GLY A 15 1.649 -5.004 1.078 1.00 0.00 N ATOM 194 CA GLY A 15 2.805 -5.274 1.913 1.00 0.00 C ATOM 195 C GLY A 15 2.425 -5.747 3.303 1.00 0.00 C ATOM 196 O GLY A 15 3.241 -6.348 4.003 1.00 0.00 O ATOM 0 H GLY A 15 1.442 -4.014 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.426 -6.031 1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.409 -4.370 1.994 1.00 0.00 H new ATOM 200 N LEU A 16 1.180 -5.496 3.699 1.00 0.00 N ATOM 201 CA LEU A 16 0.698 -5.918 5.002 1.00 0.00 C ATOM 202 C LEU A 16 0.397 -7.404 4.967 1.00 0.00 C ATOM 203 O LEU A 16 0.552 -8.111 5.962 1.00 0.00 O ATOM 204 CB LEU A 16 -0.556 -5.130 5.391 1.00 0.00 C ATOM 205 CG LEU A 16 -0.493 -4.447 6.759 1.00 0.00 C ATOM 206 CD1 LEU A 16 -0.006 -3.014 6.618 1.00 0.00 C ATOM 207 CD2 LEU A 16 -1.854 -4.485 7.438 1.00 0.00 C ATOM 0 H LEU A 16 0.490 -5.002 3.133 1.00 0.00 H new ATOM 0 HA LEU A 16 1.467 -5.722 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.740 -4.371 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.410 -5.807 5.379 1.00 0.00 H new ATOM 0 HG LEU A 16 0.217 -4.991 7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.032 -2.544 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.990 -3.010 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.691 -2.459 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.790 -3.995 8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.585 -3.966 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.164 -5.521 7.574 1.00 0.00 H new ATOM 219 N LEU A 17 -0.030 -7.868 3.798 1.00 0.00 N ATOM 220 CA LEU A 17 -0.354 -9.266 3.610 1.00 0.00 C ATOM 221 C LEU A 17 0.910 -10.117 3.641 1.00 0.00 C ATOM 222 O LEU A 17 0.931 -11.202 4.223 1.00 0.00 O ATOM 223 CB LEU A 17 -1.094 -9.471 2.287 1.00 0.00 C ATOM 224 CG LEU A 17 -2.533 -8.951 2.263 1.00 0.00 C ATOM 225 CD1 LEU A 17 -2.953 -8.609 0.842 1.00 0.00 C ATOM 226 CD2 LEU A 17 -3.479 -9.977 2.868 1.00 0.00 C ATOM 0 H LEU A 17 -0.158 -7.290 2.968 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.005 -9.579 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.532 -8.978 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.105 -10.536 2.055 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.582 -8.042 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.979 -8.241 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.292 -7.840 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.889 -9.501 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.498 -9.591 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.427 -10.902 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.191 -10.173 3.901 1.00 0.00 H new ATOM 238 N LYS A 18 1.966 -9.610 3.011 1.00 0.00 N ATOM 239 CA LYS A 18 3.243 -10.311 2.962 1.00 0.00 C ATOM 240 C LYS A 18 3.966 -10.227 4.295 1.00 0.00 C ATOM 241 O LYS A 18 4.883 -11.004 4.558 1.00 0.00 O ATOM 242 CB LYS A 18 4.112 -9.747 1.820 1.00 0.00 C ATOM 243 CG LYS A 18 5.483 -9.226 2.245 1.00 0.00 C ATOM 244 CD LYS A 18 6.470 -10.361 2.474 1.00 0.00 C ATOM 245 CE LYS A 18 7.355 -10.101 3.686 1.00 0.00 C ATOM 246 NZ LYS A 18 8.796 -10.309 3.375 1.00 0.00 N ATOM 0 H LYS A 18 1.961 -8.713 2.526 1.00 0.00 H new ATOM 0 HA LYS A 18 3.052 -11.365 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.253 -10.528 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.567 -8.937 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.871 -8.555 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.383 -8.641 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.925 -11.294 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.093 -10.486 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.202 -9.080 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.060 -10.763 4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.365 -10.122 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.946 -11.291 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.085 -9.659 2.616 1.00 0.00 H new ATOM 260 N LYS A 19 3.569 -9.282 5.134 1.00 0.00 N ATOM 261 CA LYS A 19 4.224 -9.127 6.412 1.00 0.00 C ATOM 262 C LYS A 19 3.921 -10.274 7.357 1.00 0.00 C ATOM 263 O LYS A 19 2.816 -10.815 7.378 1.00 0.00 O ATOM 264 CB LYS A 19 3.899 -7.779 7.051 1.00 0.00 C ATOM 265 CG LYS A 19 5.088 -6.827 7.065 1.00 0.00 C ATOM 266 CD LYS A 19 6.339 -7.488 7.639 1.00 0.00 C ATOM 267 CE LYS A 19 7.093 -8.301 6.588 1.00 0.00 C ATOM 268 NZ LYS A 19 8.537 -7.940 6.539 1.00 0.00 N ATOM 0 H LYS A 19 2.810 -8.625 4.953 1.00 0.00 H new ATOM 0 HA LYS A 19 5.296 -9.151 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.075 -7.315 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.557 -7.940 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.291 -6.485 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.840 -5.945 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.999 -6.722 8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.057 -8.139 8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.992 -9.364 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.644 -8.135 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.014 -8.513 5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.635 -6.932 6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.972 -8.122 7.466 1.00 0.00 H new ATOM 282 N ILE A 20 4.938 -10.647 8.125 1.00 0.00 N ATOM 283 CA ILE A 20 4.830 -11.740 9.070 1.00 0.00 C ATOM 284 C ILE A 20 3.979 -11.358 10.275 1.00 0.00 C ATOM 285 O ILE A 20 3.301 -12.250 10.827 1.00 0.00 O ATOM 286 CB ILE A 20 6.214 -12.197 9.549 1.00 0.00 C ATOM 287 CG1 ILE A 20 7.164 -12.367 8.359 1.00 0.00 C ATOM 288 CG2 ILE A 20 6.102 -13.493 10.337 1.00 0.00 C ATOM 289 CD1 ILE A 20 6.703 -13.407 7.361 1.00 0.00 C ATOM 290 OXT ILE A 20 3.998 -10.169 10.659 1.00 0.00 O ATOM 0 H ILE A 20 5.854 -10.200 8.107 1.00 0.00 H new ATOM 0 HA ILE A 20 4.344 -12.563 8.546 1.00 0.00 H new ATOM 0 HB ILE A 20 6.624 -11.430 10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.271 -11.409 7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.151 -12.643 8.729 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.093 -13.803 10.669 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.460 -13.337 11.204 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.673 -14.269 9.703 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.424 -13.474 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.624 -14.375 7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.729 -13.122 6.962 1.00 0.00 H new TER 302 ILE A 20