USER MOD reduce.3.24.130724 H: found=0, std=0, add=165, rem=0, adj=3 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 Set 1.1: A 18 LYS NZ :NH3+ -172:sc= -0.551 (180deg=-0.771) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ILE N :NH3+ 173:sc= -0.147 (180deg=-0.277) USER MOD Single : A 11 SER OG : rot 95:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -6.888 8.549 -7.643 1.00 0.00 N ATOM 2 CA ILE A 1 -6.487 9.765 -8.398 1.00 0.00 C ATOM 3 C ILE A 1 -5.322 10.484 -7.720 1.00 0.00 C ATOM 4 O ILE A 1 -4.609 11.260 -8.357 1.00 0.00 O ATOM 5 CB ILE A 1 -7.667 10.748 -8.549 1.00 0.00 C ATOM 6 CG1 ILE A 1 -7.239 11.979 -9.352 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.195 11.158 -7.183 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.390 12.888 -9.724 1.00 0.00 C ATOM 0 H1 ILE A 1 -7.753 8.151 -8.061 1.00 0.00 H new ATOM 0 H2 ILE A 1 -6.125 7.844 -7.689 1.00 0.00 H new ATOM 0 H3 ILE A 1 -7.067 8.800 -6.650 1.00 0.00 H new ATOM 0 HA ILE A 1 -6.172 9.430 -9.386 1.00 0.00 H new ATOM 0 HB ILE A 1 -8.468 10.246 -9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -6.511 12.546 -8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -6.736 11.652 -10.262 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.027 11.851 -7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.537 10.274 -6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -7.400 11.643 -6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.013 13.739 -10.291 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -9.108 12.336 -10.331 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.880 13.244 -8.818 1.00 0.00 H new HETATM 22 N DIL A 2 -5.133 10.227 -6.427 1.00 0.00 N HETATM 23 CA DIL A 2 -4.054 10.857 -5.675 1.00 0.00 C HETATM 24 C DIL A 2 -2.710 10.656 -6.371 1.00 0.00 C HETATM 25 O DIL A 2 -1.770 11.424 -6.169 1.00 0.00 O HETATM 26 CB DIL A 2 -4.312 12.365 -5.496 1.00 0.00 C HETATM 27 CG1 DIL A 2 -3.423 12.942 -4.386 1.00 0.00 C HETATM 28 CG2 DIL A 2 -5.785 12.627 -5.199 1.00 0.00 C HETATM 29 CD1 DIL A 2 -3.933 12.671 -2.986 1.00 0.00 C HETATM 0 HG23 DIL A 2 -6.394 12.261 -6.026 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -6.069 12.110 -4.283 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -5.946 13.698 -5.076 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -2.421 12.525 -4.484 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -3.335 14.019 -4.528 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -4.923 13.112 -2.868 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -3.994 11.595 -2.823 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -3.250 13.110 -2.259 1.00 0.00 H new HETATM 0 HB DIL A 2 -4.057 12.867 -6.429 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.023 10.381 -4.695 1.00 0.00 H new ATOM 41 N GLY A 3 -2.625 9.612 -7.189 1.00 0.00 N ATOM 42 CA GLY A 3 -1.395 9.322 -7.898 1.00 0.00 C ATOM 43 C GLY A 3 -0.471 8.426 -7.096 1.00 0.00 C ATOM 44 O GLY A 3 -0.650 7.207 -7.085 1.00 0.00 O ATOM 0 H GLY A 3 -3.388 8.961 -7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.629 8.842 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.882 10.255 -8.130 1.00 0.00 H new ATOM 48 N PRO A 4 0.537 8.994 -6.411 1.00 0.00 N ATOM 49 CA PRO A 4 1.478 8.218 -5.612 1.00 0.00 C ATOM 50 C PRO A 4 0.913 7.830 -4.248 1.00 0.00 C ATOM 51 O PRO A 4 1.574 7.140 -3.475 1.00 0.00 O ATOM 52 CB PRO A 4 2.685 9.157 -5.442 1.00 0.00 C ATOM 53 CG PRO A 4 2.344 10.417 -6.179 1.00 0.00 C ATOM 54 CD PRO A 4 0.853 10.423 -6.359 1.00 0.00 C ATOM 0 HA PRO A 4 1.724 7.273 -6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.873 9.362 -4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.590 8.703 -5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.669 11.293 -5.618 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.850 10.450 -7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.346 10.921 -5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.556 10.938 -7.272 1.00 0.00 H new ATOM 62 N VAL A 5 -0.315 8.261 -3.959 1.00 0.00 N ATOM 63 CA VAL A 5 -0.957 7.932 -2.690 1.00 0.00 C ATOM 64 C VAL A 5 -1.646 6.588 -2.806 1.00 0.00 C ATOM 65 O VAL A 5 -1.624 5.768 -1.888 1.00 0.00 O ATOM 66 CB VAL A 5 -1.987 9.005 -2.280 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.634 8.655 -0.947 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.330 10.377 -2.216 1.00 0.00 C ATOM 0 H VAL A 5 -0.881 8.835 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.185 7.894 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.770 9.033 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.356 9.426 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.143 7.695 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.867 8.593 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.071 11.122 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.524 10.361 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.924 10.632 -3.195 1.00 0.00 H new ATOM 78 N LEU A 6 -2.254 6.383 -3.961 1.00 0.00 N ATOM 79 CA LEU A 6 -2.964 5.159 -4.265 1.00 0.00 C ATOM 80 C LEU A 6 -2.010 3.970 -4.278 1.00 0.00 C ATOM 81 O LEU A 6 -2.271 2.945 -3.650 1.00 0.00 O ATOM 82 CB LEU A 6 -3.641 5.318 -5.621 1.00 0.00 C ATOM 83 CG LEU A 6 -4.396 4.089 -6.128 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.486 3.693 -5.144 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.986 4.358 -7.505 1.00 0.00 C ATOM 0 H LEU A 6 -2.267 7.067 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.714 4.969 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.339 6.153 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.883 5.586 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.693 3.260 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.014 2.817 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.037 3.460 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.189 4.518 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.520 3.473 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.677 5.199 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.184 4.595 -8.204 1.00 0.00 H new ATOM 97 N GLY A 7 -0.898 4.122 -4.988 1.00 0.00 N ATOM 98 CA GLY A 7 0.086 3.060 -5.060 1.00 0.00 C ATOM 99 C GLY A 7 0.828 2.879 -3.750 1.00 0.00 C ATOM 100 O GLY A 7 1.372 1.811 -3.481 1.00 0.00 O ATOM 0 H GLY A 7 -0.661 4.962 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.408 2.126 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.800 3.282 -5.853 1.00 0.00 H new ATOM 104 N LEU A 8 0.837 3.929 -2.934 1.00 0.00 N ATOM 105 CA LEU A 8 1.495 3.911 -1.641 1.00 0.00 C ATOM 106 C LEU A 8 0.649 3.143 -0.637 1.00 0.00 C ATOM 107 O LEU A 8 1.157 2.443 0.237 1.00 0.00 O ATOM 108 CB LEU A 8 1.674 5.358 -1.182 1.00 0.00 C ATOM 109 CG LEU A 8 1.310 5.633 0.266 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.202 4.842 1.214 1.00 0.00 C ATOM 111 CD2 LEU A 8 1.385 7.122 0.566 1.00 0.00 C ATOM 0 H LEU A 8 0.386 4.816 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 8 2.464 3.418 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.714 5.644 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.067 6.001 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 8 0.282 5.306 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.920 5.058 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.083 3.776 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.243 5.126 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.120 7.297 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.399 7.479 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.690 7.659 -0.080 1.00 0.00 H new ATOM 123 N VAL A 9 -0.653 3.297 -0.792 1.00 0.00 N ATOM 124 CA VAL A 9 -1.628 2.659 0.064 1.00 0.00 C ATOM 125 C VAL A 9 -1.754 1.202 -0.327 1.00 0.00 C ATOM 126 O VAL A 9 -1.675 0.309 0.511 1.00 0.00 O ATOM 127 CB VAL A 9 -2.977 3.406 -0.045 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.993 2.653 -0.901 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.544 3.697 1.338 1.00 0.00 C ATOM 0 H VAL A 9 -1.065 3.875 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.310 2.702 1.106 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.778 4.352 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.923 3.220 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.597 2.526 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.185 1.675 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.493 4.223 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.703 2.759 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.842 4.317 1.896 1.00 0.00 H new ATOM 139 N GLY A 10 -1.888 0.976 -1.624 1.00 0.00 N ATOM 140 CA GLY A 10 -1.955 -0.372 -2.132 1.00 0.00 C ATOM 141 C GLY A 10 -0.633 -1.065 -1.913 1.00 0.00 C ATOM 142 O GLY A 10 -0.561 -2.293 -1.859 1.00 0.00 O ATOM 0 H GLY A 10 -1.951 1.706 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.752 -0.921 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.198 -0.359 -3.195 1.00 0.00 H new ATOM 146 N SER A 11 0.422 -0.258 -1.757 1.00 0.00 N ATOM 147 CA SER A 11 1.756 -0.792 -1.508 1.00 0.00 C ATOM 148 C SER A 11 1.886 -1.174 -0.043 1.00 0.00 C ATOM 149 O SER A 11 2.379 -2.250 0.295 1.00 0.00 O ATOM 150 CB SER A 11 2.831 0.233 -1.872 1.00 0.00 C ATOM 151 OG SER A 11 3.186 0.136 -3.241 1.00 0.00 O ATOM 0 H SER A 11 0.374 0.760 -1.799 1.00 0.00 H new ATOM 0 HA SER A 11 1.898 -1.674 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.467 1.238 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.714 0.075 -1.252 1.00 0.00 H new ATOM 0 HG SER A 11 2.661 0.779 -3.761 1.00 0.00 H new ATOM 157 N ALA A 12 1.423 -0.278 0.823 1.00 0.00 N ATOM 158 CA ALA A 12 1.466 -0.504 2.257 1.00 0.00 C ATOM 159 C ALA A 12 0.403 -1.510 2.675 1.00 0.00 C ATOM 160 O ALA A 12 0.590 -2.262 3.632 1.00 0.00 O ATOM 161 CB ALA A 12 1.280 0.809 3.003 1.00 0.00 C ATOM 0 H ALA A 12 1.012 0.615 0.551 1.00 0.00 H new ATOM 0 HA ALA A 12 2.443 -0.915 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.314 0.625 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.077 1.500 2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.316 1.244 2.740 1.00 0.00 H new ATOM 167 N LEU A 13 -0.716 -1.524 1.952 1.00 0.00 N ATOM 168 CA LEU A 13 -1.799 -2.451 2.260 1.00 0.00 C ATOM 169 C LEU A 13 -1.329 -3.881 2.078 1.00 0.00 C ATOM 170 O LEU A 13 -1.443 -4.710 2.979 1.00 0.00 O ATOM 171 CB LEU A 13 -2.988 -2.188 1.350 1.00 0.00 C ATOM 172 CG LEU A 13 -4.326 -2.728 1.854 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.881 -1.832 2.949 1.00 0.00 C ATOM 174 CD2 LEU A 13 -5.318 -2.847 0.706 1.00 0.00 C ATOM 0 H LEU A 13 -0.894 -0.910 1.157 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.100 -2.301 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.081 -1.112 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.782 -2.627 0.374 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.163 -3.722 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.834 -2.230 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.177 -1.796 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.030 -0.826 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.265 -3.233 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.478 -1.865 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.922 -3.528 -0.048 1.00 0.00 H new ATOM 186 N GLY A 14 -0.758 -4.143 0.914 1.00 0.00 N ATOM 187 CA GLY A 14 -0.225 -5.455 0.626 1.00 0.00 C ATOM 188 C GLY A 14 1.134 -5.622 1.266 1.00 0.00 C ATOM 189 O GLY A 14 1.618 -6.737 1.454 1.00 0.00 O ATOM 0 H GLY A 14 -0.654 -3.465 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.906 -6.221 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.146 -5.594 -0.452 1.00 0.00 H new ATOM 193 N GLY A 15 1.749 -4.486 1.594 1.00 0.00 N ATOM 194 CA GLY A 15 3.064 -4.496 2.210 1.00 0.00 C ATOM 195 C GLY A 15 3.112 -5.318 3.482 1.00 0.00 C ATOM 196 O GLY A 15 3.892 -6.264 3.587 1.00 0.00 O ATOM 0 H GLY A 15 1.357 -3.557 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.790 -4.892 1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.363 -3.472 2.433 1.00 0.00 H new ATOM 200 N LEU A 16 2.266 -4.970 4.446 1.00 0.00 N ATOM 201 CA LEU A 16 2.207 -5.691 5.706 1.00 0.00 C ATOM 202 C LEU A 16 1.458 -6.997 5.513 1.00 0.00 C ATOM 203 O LEU A 16 1.697 -7.980 6.214 1.00 0.00 O ATOM 204 CB LEU A 16 1.520 -4.842 6.778 1.00 0.00 C ATOM 205 CG LEU A 16 1.670 -5.360 8.210 1.00 0.00 C ATOM 206 CD1 LEU A 16 2.983 -4.887 8.816 1.00 0.00 C ATOM 207 CD2 LEU A 16 0.493 -4.909 9.062 1.00 0.00 C ATOM 0 H LEU A 16 1.612 -4.191 4.375 1.00 0.00 H new ATOM 0 HA LEU A 16 3.223 -5.906 6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.921 -3.830 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.458 -4.775 6.541 1.00 0.00 H new ATOM 0 HG LEU A 16 1.680 -6.450 8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.071 -5.266 9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.815 -5.259 8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.005 -3.797 8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.614 -5.285 10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.454 -3.820 9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.433 -5.298 8.639 1.00 0.00 H new ATOM 219 N LEU A 17 0.546 -6.993 4.546 1.00 0.00 N ATOM 220 CA LEU A 17 -0.248 -8.166 4.246 1.00 0.00 C ATOM 221 C LEU A 17 0.645 -9.331 3.829 1.00 0.00 C ATOM 222 O LEU A 17 0.522 -10.440 4.348 1.00 0.00 O ATOM 223 CB LEU A 17 -1.255 -7.855 3.137 1.00 0.00 C ATOM 224 CG LEU A 17 -2.352 -8.902 2.943 1.00 0.00 C ATOM 225 CD1 LEU A 17 -3.107 -9.132 4.242 1.00 0.00 C ATOM 226 CD2 LEU A 17 -3.305 -8.474 1.837 1.00 0.00 C ATOM 0 H LEU A 17 0.342 -6.185 3.958 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.790 -8.451 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.725 -6.895 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.714 -7.741 2.198 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.884 -9.842 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.884 -9.880 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.415 -9.483 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.564 -8.198 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.080 -9.230 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.766 -7.522 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.753 -8.362 0.904 1.00 0.00 H new ATOM 238 N LYS A 18 1.545 -9.064 2.888 1.00 0.00 N ATOM 239 CA LYS A 18 2.466 -10.080 2.393 1.00 0.00 C ATOM 240 C LYS A 18 3.497 -10.442 3.445 1.00 0.00 C ATOM 241 O LYS A 18 3.782 -11.620 3.662 1.00 0.00 O ATOM 242 CB LYS A 18 3.161 -9.590 1.115 1.00 0.00 C ATOM 243 CG LYS A 18 4.524 -10.225 0.858 1.00 0.00 C ATOM 244 CD LYS A 18 4.458 -11.746 0.910 1.00 0.00 C ATOM 245 CE LYS A 18 5.692 -12.336 1.577 1.00 0.00 C ATOM 246 NZ LYS A 18 6.949 -11.728 1.060 1.00 0.00 N ATOM 0 H LYS A 18 1.656 -8.149 2.452 1.00 0.00 H new ATOM 0 HA LYS A 18 1.889 -10.976 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.513 -9.792 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.282 -8.508 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.893 -9.910 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.238 -9.867 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.566 -12.054 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.366 -12.142 -0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.631 -12.182 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.715 -13.413 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.767 -12.248 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.957 -11.777 0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.003 -10.734 1.360 1.00 0.00 H new ATOM 260 N LYS A 19 4.074 -9.437 4.083 1.00 0.00 N ATOM 261 CA LYS A 19 5.090 -9.695 5.079 1.00 0.00 C ATOM 262 C LYS A 19 4.552 -10.489 6.252 1.00 0.00 C ATOM 263 O LYS A 19 3.459 -10.231 6.756 1.00 0.00 O ATOM 264 CB LYS A 19 5.760 -8.409 5.553 1.00 0.00 C ATOM 265 CG LYS A 19 7.277 -8.523 5.628 1.00 0.00 C ATOM 266 CD LYS A 19 7.874 -9.016 4.313 1.00 0.00 C ATOM 267 CE LYS A 19 7.840 -10.539 4.202 1.00 0.00 C ATOM 268 NZ LYS A 19 9.179 -11.104 3.874 1.00 0.00 N ATOM 0 H LYS A 19 3.858 -8.452 3.930 1.00 0.00 H new ATOM 0 HA LYS A 19 5.850 -10.306 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.495 -7.597 4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.372 -8.144 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.703 -7.551 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.551 -9.208 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.324 -8.580 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.904 -8.670 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.488 -10.963 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.125 -10.831 3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.112 -12.140 3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.505 -10.719 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.856 -10.848 4.621 1.00 0.00 H new ATOM 282 N ILE A 20 5.338 -11.475 6.665 1.00 0.00 N ATOM 283 CA ILE A 20 4.971 -12.343 7.763 1.00 0.00 C ATOM 284 C ILE A 20 4.905 -11.578 9.080 1.00 0.00 C ATOM 285 O ILE A 20 4.906 -10.329 9.039 1.00 0.00 O ATOM 286 CB ILE A 20 5.959 -13.509 7.902 1.00 0.00 C ATOM 287 CG1 ILE A 20 6.299 -14.096 6.525 1.00 0.00 C ATOM 288 CG2 ILE A 20 5.392 -14.582 8.822 1.00 0.00 C ATOM 289 CD1 ILE A 20 7.765 -13.983 6.166 1.00 0.00 C ATOM 290 OXT ILE A 20 4.851 -12.233 10.142 1.00 0.00 O ATOM 0 H ILE A 20 6.243 -11.690 6.247 1.00 0.00 H new ATOM 0 HA ILE A 20 3.981 -12.739 7.536 1.00 0.00 H new ATOM 0 HB ILE A 20 6.879 -13.130 8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.008 -15.146 6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.707 -13.586 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.106 -15.401 8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.207 -14.155 9.808 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.456 -14.959 8.409 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.933 -14.418 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.057 -12.933 6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.363 -14.517 6.905 1.00 0.00 H new TER 302 ILE A 20