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+ 176:sc= -0.342 (180deg=-0.392) USER MOD Single : A 11 SER OG : rot 74:sc= 1.22 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 -6.823 5.526 -6.204 1.00 0.00 N ATOM 2 CA ILE A 1 -6.938 6.320 -7.456 1.00 0.00 C ATOM 3 C ILE A 1 -6.069 7.576 -7.406 1.00 0.00 C ATOM 4 O ILE A 1 -5.829 8.214 -8.432 1.00 0.00 O ATOM 5 CB ILE A 1 -8.400 6.729 -7.734 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.515 7.379 -9.114 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.912 7.673 -6.653 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.919 7.353 -9.678 1.00 0.00 C ATOM 0 H1 ILE A 1 -7.476 4.718 -6.244 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.848 5.179 -6.102 1.00 0.00 H new ATOM 0 H3 ILE A 1 -7.064 6.126 -5.389 1.00 0.00 H new ATOM 0 HA ILE A 1 -6.588 5.677 -8.264 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.018 5.831 -7.720 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -8.177 8.413 -9.049 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -7.845 6.867 -9.805 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.944 7.948 -6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.864 7.176 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.294 8.571 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.926 7.830 -10.658 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -10.253 6.320 -9.775 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.590 7.890 -9.008 1.00 0.00 H new HETATM 22 N DIL A 2 -5.603 7.930 -6.211 1.00 0.00 N HETATM 23 CA DIL A 2 -4.764 9.110 -6.035 1.00 0.00 C HETATM 24 C DIL A 2 -3.548 9.074 -6.958 1.00 0.00 C HETATM 25 O DIL A 2 -2.947 10.106 -7.249 1.00 0.00 O HETATM 26 CB DIL A 2 -5.560 10.402 -6.295 1.00 0.00 C HETATM 27 CG1 DIL A 2 -4.736 11.633 -5.903 1.00 0.00 C HETATM 28 CG2 DIL A 2 -6.877 10.374 -5.531 1.00 0.00 C HETATM 29 CD1 DIL A 2 -4.547 12.618 -7.036 1.00 0.00 C HETATM 0 HG23 DIL A 2 -7.469 9.519 -5.858 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -6.676 10.289 -4.463 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -7.429 11.294 -5.724 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -5.226 12.138 -5.071 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -3.758 11.308 -5.548 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -4.030 12.129 -7.861 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -5.520 12.972 -7.377 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -3.955 13.464 -6.687 1.00 0.00 H new HETATM 0 HB DIL A 2 -5.779 10.464 -7.361 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.421 9.102 -5.000 1.00 0.00 H new ATOM 41 N GLY A 3 -3.182 7.876 -7.401 1.00 0.00 N ATOM 42 CA GLY A 3 -2.030 7.728 -8.271 1.00 0.00 C ATOM 43 C GLY A 3 -0.754 7.517 -7.479 1.00 0.00 C ATOM 44 O GLY A 3 -0.472 6.398 -7.051 1.00 0.00 O ATOM 0 H GLY A 3 -3.662 7.005 -7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.186 6.883 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.929 8.616 -8.895 1.00 0.00 H new ATOM 48 N PRO A 4 0.043 8.577 -7.252 1.00 0.00 N ATOM 49 CA PRO A 4 1.283 8.471 -6.486 1.00 0.00 C ATOM 50 C PRO A 4 1.014 8.214 -5.009 1.00 0.00 C ATOM 51 O PRO A 4 1.887 7.746 -4.279 1.00 0.00 O ATOM 52 CB PRO A 4 1.965 9.835 -6.682 1.00 0.00 C ATOM 53 CG PRO A 4 1.193 10.520 -7.762 1.00 0.00 C ATOM 54 CD PRO A 4 -0.195 9.952 -7.707 1.00 0.00 C ATOM 0 HA PRO A 4 1.897 7.636 -6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.950 10.417 -5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.011 9.713 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.179 11.599 -7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.647 10.344 -8.737 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.832 10.504 -7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.683 9.978 -8.681 1.00 0.00 H new ATOM 62 N VAL A 5 -0.212 8.494 -4.584 1.00 0.00 N ATOM 63 CA VAL A 5 -0.615 8.267 -3.203 1.00 0.00 C ATOM 64 C VAL A 5 -1.058 6.827 -3.054 1.00 0.00 C ATOM 65 O VAL A 5 -0.743 6.152 -2.075 1.00 0.00 O ATOM 66 CB VAL A 5 -1.764 9.202 -2.780 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.003 9.115 -1.279 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.467 10.634 -3.201 1.00 0.00 C ATOM 0 H VAL A 5 -0.946 8.880 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 5 0.238 8.478 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.675 8.880 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.818 9.783 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.265 8.091 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.097 9.408 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.289 11.281 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.545 10.969 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.354 10.679 -4.284 1.00 0.00 H new ATOM 78 N LEU A 6 -1.781 6.372 -4.065 1.00 0.00 N ATOM 79 CA LEU A 6 -2.283 5.015 -4.121 1.00 0.00 C ATOM 80 C LEU A 6 -1.137 4.017 -4.001 1.00 0.00 C ATOM 81 O LEU A 6 -1.223 3.043 -3.255 1.00 0.00 O ATOM 82 CB LEU A 6 -3.023 4.822 -5.441 1.00 0.00 C ATOM 83 CG LEU A 6 -3.438 3.386 -5.759 1.00 0.00 C ATOM 84 CD1 LEU A 6 -4.548 2.936 -4.822 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.879 3.273 -7.209 1.00 0.00 C ATOM 0 H LEU A 6 -2.036 6.940 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.965 4.841 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.917 5.446 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.389 5.186 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.579 2.732 -5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.833 1.911 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.196 2.984 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.412 3.590 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.172 2.245 -7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.727 3.935 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.055 3.558 -7.863 1.00 0.00 H new ATOM 97 N GLY A 7 -0.060 4.277 -4.735 1.00 0.00 N ATOM 98 CA GLY A 7 1.097 3.403 -4.692 1.00 0.00 C ATOM 99 C GLY A 7 1.825 3.490 -3.365 1.00 0.00 C ATOM 100 O GLY A 7 2.440 2.523 -2.920 1.00 0.00 O ATOM 0 H GLY A 7 0.032 5.078 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.781 2.374 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.781 3.667 -5.499 1.00 0.00 H new ATOM 104 N LEU A 8 1.741 4.655 -2.733 1.00 0.00 N ATOM 105 CA LEU A 8 2.372 4.898 -1.448 1.00 0.00 C ATOM 106 C LEU A 8 1.560 4.253 -0.335 1.00 0.00 C ATOM 107 O LEU A 8 2.097 3.690 0.618 1.00 0.00 O ATOM 108 CB LEU A 8 2.456 6.411 -1.234 1.00 0.00 C ATOM 109 CG LEU A 8 1.948 6.910 0.110 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.832 6.408 1.245 1.00 0.00 C ATOM 111 CD2 LEU A 8 1.864 8.428 0.119 1.00 0.00 C ATOM 0 H LEU A 8 1.231 5.458 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 8 3.371 4.463 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.495 6.720 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.889 6.904 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 8 0.945 6.512 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.448 6.778 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.830 5.318 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.850 6.768 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.499 8.766 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.853 8.848 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.180 8.759 -0.662 1.00 0.00 H new ATOM 123 N VAL A 9 0.253 4.360 -0.487 1.00 0.00 N ATOM 124 CA VAL A 9 -0.702 3.827 0.461 1.00 0.00 C ATOM 125 C VAL A 9 -0.815 2.327 0.275 1.00 0.00 C ATOM 126 O VAL A 9 -0.688 1.554 1.221 1.00 0.00 O ATOM 127 CB VAL A 9 -2.062 4.539 0.275 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.077 3.679 -0.473 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.620 4.986 1.616 1.00 0.00 C ATOM 0 H VAL A 9 -0.179 4.827 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.367 4.010 1.482 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.878 5.418 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.013 4.228 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.689 3.436 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.255 2.759 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.577 5.485 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.762 4.117 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.922 5.677 2.088 1.00 0.00 H new ATOM 139 N GLY A 10 -0.996 1.929 -0.975 1.00 0.00 N ATOM 140 CA GLY A 10 -1.061 0.526 -1.301 1.00 0.00 C ATOM 141 C GLY A 10 0.265 -0.129 -1.004 1.00 0.00 C ATOM 142 O GLY A 10 0.345 -1.342 -0.815 1.00 0.00 O ATOM 0 H GLY A 10 -1.099 2.559 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.852 0.046 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.312 0.399 -2.354 1.00 0.00 H new ATOM 146 N SER A 11 1.314 0.698 -0.938 1.00 0.00 N ATOM 147 CA SER A 11 2.649 0.200 -0.633 1.00 0.00 C ATOM 148 C SER A 11 2.704 -0.249 0.820 1.00 0.00 C ATOM 149 O SER A 11 3.194 -1.334 1.133 1.00 0.00 O ATOM 150 CB SER A 11 3.703 1.280 -0.887 1.00 0.00 C ATOM 151 OG SER A 11 4.318 1.105 -2.152 1.00 0.00 O ATOM 0 H SER A 11 1.261 1.705 -1.091 1.00 0.00 H new ATOM 0 HA SER A 11 2.864 -0.647 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.238 2.265 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.460 1.245 -0.103 1.00 0.00 H new ATOM 0 HG SER A 11 3.693 1.369 -2.859 1.00 0.00 H new ATOM 157 N ALA A 12 2.176 0.595 1.700 1.00 0.00 N ATOM 158 CA ALA A 12 2.141 0.297 3.121 1.00 0.00 C ATOM 159 C ALA A 12 0.957 -0.604 3.452 1.00 0.00 C ATOM 160 O ALA A 12 1.022 -1.417 4.373 1.00 0.00 O ATOM 161 CB ALA A 12 2.072 1.583 3.930 1.00 0.00 C ATOM 0 H ALA A 12 1.765 1.494 1.449 1.00 0.00 H new ATOM 0 HA ALA A 12 3.058 -0.231 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.046 1.343 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.949 2.194 3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.171 2.134 3.661 1.00 0.00 H new ATOM 167 N LEU A 13 -0.126 -0.458 2.690 1.00 0.00 N ATOM 168 CA LEU A 13 -1.321 -1.267 2.906 1.00 0.00 C ATOM 169 C LEU A 13 -1.076 -2.703 2.478 1.00 0.00 C ATOM 170 O LEU A 13 -1.310 -3.642 3.240 1.00 0.00 O ATOM 171 CB LEU A 13 -2.481 -0.706 2.106 1.00 0.00 C ATOM 172 CG LEU A 13 -3.118 0.562 2.677 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.126 1.141 1.697 1.00 0.00 C ATOM 174 CD2 LEU A 13 -3.780 0.269 4.015 1.00 0.00 C ATOM 0 H LEU A 13 -0.199 0.209 1.922 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.560 -1.243 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.134 -0.494 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.250 -1.474 2.025 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.332 1.301 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.569 2.042 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.624 1.388 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.909 0.408 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.228 1.182 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.554 -0.486 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.033 -0.099 4.718 1.00 0.00 H new ATOM 186 N GLY A 14 -0.577 -2.865 1.257 1.00 0.00 N ATOM 187 CA GLY A 14 -0.279 -4.188 0.751 1.00 0.00 C ATOM 188 C GLY A 14 0.754 -4.875 1.614 1.00 0.00 C ATOM 189 O GLY A 14 0.879 -6.100 1.602 1.00 0.00 O ATOM 0 H GLY A 14 -0.374 -2.103 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.191 -4.785 0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.087 -4.116 -0.273 1.00 0.00 H new ATOM 193 N GLY A 15 1.496 -4.068 2.367 1.00 0.00 N ATOM 194 CA GLY A 15 2.522 -4.602 3.242 1.00 0.00 C ATOM 195 C GLY A 15 1.962 -5.586 4.249 1.00 0.00 C ATOM 196 O GLY A 15 2.619 -6.565 4.603 1.00 0.00 O ATOM 0 H GLY A 15 1.404 -3.052 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.288 -5.095 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.009 -3.782 3.770 1.00 0.00 H new ATOM 200 N LEU A 16 0.734 -5.339 4.693 1.00 0.00 N ATOM 201 CA LEU A 16 0.074 -6.217 5.642 1.00 0.00 C ATOM 202 C LEU A 16 -0.435 -7.449 4.918 1.00 0.00 C ATOM 203 O LEU A 16 -0.517 -8.537 5.488 1.00 0.00 O ATOM 204 CB LEU A 16 -1.086 -5.491 6.326 1.00 0.00 C ATOM 205 CG LEU A 16 -0.704 -4.683 7.567 1.00 0.00 C ATOM 206 CD1 LEU A 16 0.066 -3.431 7.175 1.00 0.00 C ATOM 207 CD2 LEU A 16 -1.945 -4.316 8.367 1.00 0.00 C ATOM 0 H LEU A 16 0.177 -4.534 4.407 1.00 0.00 H new ATOM 0 HA LEU A 16 0.790 -6.516 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.551 -4.820 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.839 -6.227 6.608 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.060 -5.300 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.329 -2.870 8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.975 -3.714 6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.553 -2.811 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.654 -3.741 9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.614 -3.718 7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.458 -5.225 8.681 1.00 0.00 H new ATOM 219 N LEU A 17 -0.773 -7.262 3.647 1.00 0.00 N ATOM 220 CA LEU A 17 -1.276 -8.345 2.827 1.00 0.00 C ATOM 221 C LEU A 17 -0.159 -9.324 2.484 1.00 0.00 C ATOM 222 O LEU A 17 -0.374 -10.535 2.429 1.00 0.00 O ATOM 223 CB LEU A 17 -1.904 -7.796 1.544 1.00 0.00 C ATOM 224 CG LEU A 17 -3.393 -7.461 1.643 1.00 0.00 C ATOM 225 CD1 LEU A 17 -3.911 -6.928 0.315 1.00 0.00 C ATOM 226 CD2 LEU A 17 -4.188 -8.685 2.079 1.00 0.00 C ATOM 0 H LEU A 17 -0.705 -6.365 3.166 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.041 -8.875 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.364 -6.896 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.764 -8.527 0.748 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.522 -6.683 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.972 -6.695 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.363 -6.025 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.769 -7.682 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.245 -8.428 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.053 -9.485 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.835 -9.019 3.055 1.00 0.00 H new ATOM 238 N LYS A 18 1.035 -8.785 2.252 1.00 0.00 N ATOM 239 CA LYS A 18 2.200 -9.598 1.910 1.00 0.00 C ATOM 240 C LYS A 18 2.907 -10.142 3.154 1.00 0.00 C ATOM 241 O LYS A 18 3.915 -10.834 3.036 1.00 0.00 O ATOM 242 CB LYS A 18 3.188 -8.806 1.056 1.00 0.00 C ATOM 243 CG LYS A 18 4.164 -9.692 0.295 1.00 0.00 C ATOM 244 CD LYS A 18 3.441 -10.786 -0.480 1.00 0.00 C ATOM 245 CE LYS A 18 3.352 -12.083 0.317 1.00 0.00 C ATOM 246 NZ LYS A 18 2.496 -13.096 -0.363 1.00 0.00 N ATOM 0 H LYS A 18 1.222 -7.783 2.295 1.00 0.00 H new ATOM 0 HA LYS A 18 1.832 -10.447 1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.634 -8.192 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.748 -8.125 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.748 -9.082 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.867 -10.145 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.437 -10.447 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.963 -10.972 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.353 -12.491 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.949 -11.873 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.461 -13.963 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.534 -12.717 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.894 -13.316 -1.298 1.00 0.00 H new ATOM 260 N LYS A 19 2.378 -9.797 4.330 1.00 0.00 N ATOM 261 CA LYS A 19 2.931 -10.202 5.635 1.00 0.00 C ATOM 262 C LYS A 19 3.744 -11.505 5.595 1.00 0.00 C ATOM 263 O LYS A 19 3.351 -12.520 6.168 1.00 0.00 O ATOM 264 CB LYS A 19 1.775 -10.360 6.631 1.00 0.00 C ATOM 265 CG LYS A 19 0.853 -11.550 6.349 1.00 0.00 C ATOM 266 CD LYS A 19 0.310 -11.545 4.922 1.00 0.00 C ATOM 267 CE LYS A 19 1.163 -12.393 3.979 1.00 0.00 C ATOM 268 NZ LYS A 19 0.577 -13.745 3.765 1.00 0.00 N ATOM 0 H LYS A 19 1.541 -9.220 4.409 1.00 0.00 H new ATOM 0 HA LYS A 19 3.625 -9.419 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.188 -10.466 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.180 -9.447 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.399 -12.477 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.020 -11.534 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.713 -11.922 4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.272 -10.520 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.260 -11.884 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.168 -12.494 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.185 -14.289 3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.508 -14.241 4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.372 -13.650 3.349 1.00 0.00 H new ATOM 282 N ILE A 20 4.891 -11.462 4.933 1.00 0.00 N ATOM 283 CA ILE A 20 5.760 -12.628 4.833 1.00 0.00 C ATOM 284 C ILE A 20 6.758 -12.663 5.988 1.00 0.00 C ATOM 285 O ILE A 20 7.193 -13.774 6.360 1.00 0.00 O ATOM 286 CB ILE A 20 6.505 -12.644 3.483 1.00 0.00 C ATOM 287 CG1 ILE A 20 5.664 -13.365 2.430 1.00 0.00 C ATOM 288 CG2 ILE A 20 7.878 -13.297 3.604 1.00 0.00 C ATOM 289 CD1 ILE A 20 5.419 -14.823 2.748 1.00 0.00 C ATOM 290 OXT ILE A 20 7.097 -11.580 6.510 1.00 0.00 O ATOM 0 H ILE A 20 5.243 -10.632 4.456 1.00 0.00 H new ATOM 0 HA ILE A 20 5.133 -13.518 4.891 1.00 0.00 H new ATOM 0 HB ILE A 20 6.660 -11.610 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.705 -12.857 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.164 -13.291 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.372 -13.289 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.482 -12.743 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.763 -14.326 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.816 -15.271 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.373 -15.346 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.891 -14.904 3.698 1.00 0.00 H new TER 302 ILE A 20