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+ 178:sc= -0.0979 (180deg=-0.139) USER MOD Single : A 11 SER OG : rot 104:sc= 1.18 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 -7.320 7.520 -6.425 1.00 0.00 N ATOM 2 CA ILE A 1 -7.601 8.873 -6.973 1.00 0.00 C ATOM 3 C ILE A 1 -6.497 9.858 -6.604 1.00 0.00 C ATOM 4 O ILE A 1 -6.234 10.814 -7.334 1.00 0.00 O ATOM 5 CB ILE A 1 -8.954 9.415 -6.464 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.289 10.742 -7.150 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.933 9.585 -4.949 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.793 10.578 -8.567 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.104 6.879 -6.663 1.00 0.00 H new ATOM 0 H2 ILE A 1 -6.438 7.155 -6.837 1.00 0.00 H new ATOM 0 H3 ILE A 1 -7.222 7.578 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.643 8.773 -8.058 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.729 8.691 -6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.044 11.265 -6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -8.399 11.372 -7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.896 9.968 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.741 8.621 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.147 10.287 -4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.011 11.558 -8.991 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -9.031 10.083 -9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.701 9.975 -8.563 1.00 0.00 H new HETATM 22 N DIL A 2 -5.854 9.621 -5.465 1.00 0.00 N HETATM 23 CA DIL A 2 -4.781 10.487 -4.999 1.00 0.00 C HETATM 24 C DIL A 2 -3.597 10.475 -5.964 1.00 0.00 C HETATM 25 O DIL A 2 -2.733 11.349 -5.912 1.00 0.00 O HETATM 26 CB DIL A 2 -5.278 11.933 -4.816 1.00 0.00 C HETATM 27 CG1 DIL A 2 -4.186 12.805 -4.188 1.00 0.00 C HETATM 28 CG2 DIL A 2 -6.538 11.957 -3.962 1.00 0.00 C HETATM 29 CD1 DIL A 2 -3.611 13.831 -5.141 1.00 0.00 C HETATM 0 HG23 DIL A 2 -7.319 11.373 -4.449 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -6.322 11.530 -2.983 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -6.877 12.986 -3.842 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -4.597 13.318 -3.319 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -3.381 12.163 -3.829 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -3.170 13.324 -5.999 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -4.404 14.496 -5.481 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -2.844 14.413 -4.630 1.00 0.00 H new HETATM 0 HB DIL A 2 -5.518 12.341 -5.798 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.452 10.098 -4.035 1.00 0.00 H new ATOM 41 N GLY A 3 -3.554 9.471 -6.837 1.00 0.00 N ATOM 42 CA GLY A 3 -2.463 9.363 -7.788 1.00 0.00 C ATOM 43 C GLY A 3 -1.261 8.653 -7.193 1.00 0.00 C ATOM 44 O GLY A 3 -1.238 7.424 -7.135 1.00 0.00 O ATOM 0 H GLY A 3 -4.254 8.732 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.803 8.822 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.169 10.359 -8.118 1.00 0.00 H new ATOM 48 N PRO A 4 -0.238 9.398 -6.734 1.00 0.00 N ATOM 49 CA PRO A 4 0.958 8.807 -6.136 1.00 0.00 C ATOM 50 C PRO A 4 0.704 8.300 -4.718 1.00 0.00 C ATOM 51 O PRO A 4 1.580 7.693 -4.102 1.00 0.00 O ATOM 52 CB PRO A 4 1.977 9.960 -6.119 1.00 0.00 C ATOM 53 CG PRO A 4 1.325 11.098 -6.840 1.00 0.00 C ATOM 54 CD PRO A 4 -0.155 10.861 -6.752 1.00 0.00 C ATOM 0 HA PRO A 4 1.299 7.937 -6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.232 10.240 -5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.905 9.668 -6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.594 12.051 -6.385 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.651 11.138 -7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.585 11.304 -5.853 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.686 11.288 -7.603 1.00 0.00 H new ATOM 62 N VAL A 5 -0.506 8.530 -4.214 1.00 0.00 N ATOM 63 CA VAL A 5 -0.877 8.074 -2.881 1.00 0.00 C ATOM 64 C VAL A 5 -1.341 6.634 -2.958 1.00 0.00 C ATOM 65 O VAL A 5 -1.064 5.818 -2.080 1.00 0.00 O ATOM 66 CB VAL A 5 -1.998 8.939 -2.274 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.261 8.538 -0.831 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.644 10.415 -2.368 1.00 0.00 C ATOM 0 H VAL A 5 -1.244 9.029 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.001 8.160 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.911 8.771 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.056 9.160 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.563 7.491 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.353 8.675 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.448 11.010 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.719 10.603 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.512 10.692 -3.414 1.00 0.00 H new ATOM 78 N LEU A 6 -2.037 6.339 -4.046 1.00 0.00 N ATOM 79 CA LEU A 6 -2.549 5.010 -4.310 1.00 0.00 C ATOM 80 C LEU A 6 -1.405 4.001 -4.343 1.00 0.00 C ATOM 81 O LEU A 6 -1.463 2.959 -3.692 1.00 0.00 O ATOM 82 CB LEU A 6 -3.290 5.035 -5.646 1.00 0.00 C ATOM 83 CG LEU A 6 -3.607 3.670 -6.261 1.00 0.00 C ATOM 84 CD1 LEU A 6 -4.877 3.096 -5.653 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.742 3.793 -7.771 1.00 0.00 C ATOM 0 H LEU A 6 -2.261 7.020 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.235 4.708 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.226 5.577 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.694 5.604 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.786 2.988 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.088 2.125 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.744 2.978 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.710 3.773 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.968 2.815 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.548 4.487 -8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.807 4.165 -8.191 1.00 0.00 H new ATOM 97 N GLY A 7 -0.361 4.331 -5.097 1.00 0.00 N ATOM 98 CA GLY A 7 0.791 3.456 -5.195 1.00 0.00 C ATOM 99 C GLY A 7 1.564 3.385 -3.893 1.00 0.00 C ATOM 100 O GLY A 7 2.246 2.399 -3.620 1.00 0.00 O ATOM 0 H GLY A 7 -0.293 5.190 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.463 2.455 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.449 3.811 -5.988 1.00 0.00 H new ATOM 104 N LEU A 8 1.445 4.435 -3.086 1.00 0.00 N ATOM 105 CA LEU A 8 2.113 4.513 -1.800 1.00 0.00 C ATOM 106 C LEU A 8 1.378 3.657 -0.780 1.00 0.00 C ATOM 107 O LEU A 8 1.980 2.978 0.052 1.00 0.00 O ATOM 108 CB LEU A 8 2.121 5.977 -1.352 1.00 0.00 C ATOM 109 CG LEU A 8 1.637 6.227 0.068 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.599 5.627 1.083 1.00 0.00 C ATOM 111 CD2 LEU A 8 1.449 7.716 0.317 1.00 0.00 C ATOM 0 H LEU A 8 0.881 5.255 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 8 3.135 4.143 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.136 6.362 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.498 6.552 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 8 0.671 5.736 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.231 5.819 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.673 4.551 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.583 6.080 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.102 7.873 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.398 8.232 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.711 8.111 -0.381 1.00 0.00 H new ATOM 123 N VAL A 9 0.063 3.718 -0.871 1.00 0.00 N ATOM 124 CA VAL A 9 -0.827 2.990 0.008 1.00 0.00 C ATOM 125 C VAL A 9 -0.878 1.536 -0.417 1.00 0.00 C ATOM 126 O VAL A 9 -0.678 0.629 0.388 1.00 0.00 O ATOM 127 CB VAL A 9 -2.225 3.650 -0.014 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.245 2.832 -0.802 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.718 3.905 1.403 1.00 0.00 C ATOM 0 H VAL A 9 -0.422 4.283 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.460 3.023 1.034 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.119 4.605 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.209 3.340 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.908 2.726 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.347 1.845 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.703 4.370 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.782 2.960 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.022 4.569 1.916 1.00 0.00 H new ATOM 139 N GLY A 10 -1.089 1.332 -1.710 1.00 0.00 N ATOM 140 CA GLY A 10 -1.101 -0.004 -2.250 1.00 0.00 C ATOM 141 C GLY A 10 0.266 -0.625 -2.107 1.00 0.00 C ATOM 142 O GLY A 10 0.412 -1.847 -2.114 1.00 0.00 O ATOM 0 H GLY A 10 -1.252 2.072 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.842 -0.610 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.391 0.021 -3.300 1.00 0.00 H new ATOM 146 N SER A 11 1.277 0.236 -1.948 1.00 0.00 N ATOM 147 CA SER A 11 2.646 -0.233 -1.771 1.00 0.00 C ATOM 148 C SER A 11 2.768 -0.938 -0.430 1.00 0.00 C ATOM 149 O SER A 11 3.279 -2.055 -0.341 1.00 0.00 O ATOM 150 CB SER A 11 3.633 0.934 -1.841 1.00 0.00 C ATOM 151 OG SER A 11 4.238 1.015 -3.120 1.00 0.00 O ATOM 0 H SER A 11 1.170 1.250 -1.939 1.00 0.00 H new ATOM 0 HA SER A 11 2.886 -0.930 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.114 1.867 -1.621 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.402 0.810 -1.079 1.00 0.00 H new ATOM 0 HG SER A 11 3.832 1.748 -3.628 1.00 0.00 H new ATOM 157 N ALA A 12 2.274 -0.277 0.611 1.00 0.00 N ATOM 158 CA ALA A 12 2.301 -0.828 1.955 1.00 0.00 C ATOM 159 C ALA A 12 1.138 -1.791 2.167 1.00 0.00 C ATOM 160 O ALA A 12 1.209 -2.688 3.007 1.00 0.00 O ATOM 161 CB ALA A 12 2.260 0.291 2.985 1.00 0.00 C ATOM 0 H ALA A 12 1.848 0.647 0.546 1.00 0.00 H new ATOM 0 HA ALA A 12 3.230 -1.384 2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.281 -0.136 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.124 0.942 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.346 0.870 2.856 1.00 0.00 H new ATOM 167 N LEU A 13 0.063 -1.601 1.399 1.00 0.00 N ATOM 168 CA LEU A 13 -1.112 -2.461 1.510 1.00 0.00 C ATOM 169 C LEU A 13 -0.735 -3.916 1.292 1.00 0.00 C ATOM 170 O LEU A 13 -1.033 -4.781 2.114 1.00 0.00 O ATOM 171 CB LEU A 13 -2.144 -2.055 0.472 1.00 0.00 C ATOM 172 CG LEU A 13 -3.545 -2.630 0.686 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.599 -1.691 0.119 1.00 0.00 C ATOM 174 CD2 LEU A 13 -3.658 -4.007 0.049 1.00 0.00 C ATOM 0 H LEU A 13 -0.016 -0.864 0.699 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.526 -2.348 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.213 -0.967 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.788 -2.364 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.716 -2.731 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.590 -2.116 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.533 -0.725 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.431 -1.558 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.661 -4.401 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.467 -3.930 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.927 -4.678 0.501 1.00 0.00 H new ATOM 186 N GLY A 14 -0.046 -4.167 0.188 1.00 0.00 N ATOM 187 CA GLY A 14 0.401 -5.509 -0.116 1.00 0.00 C ATOM 188 C GLY A 14 1.549 -5.903 0.782 1.00 0.00 C ATOM 189 O GLY A 14 1.841 -7.085 0.961 1.00 0.00 O ATOM 0 H GLY A 14 0.211 -3.463 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.424 -6.210 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.712 -5.567 -1.159 1.00 0.00 H new ATOM 193 N GLY A 15 2.200 -4.891 1.348 1.00 0.00 N ATOM 194 CA GLY A 15 3.324 -5.128 2.234 1.00 0.00 C ATOM 195 C GLY A 15 2.903 -5.745 3.552 1.00 0.00 C ATOM 196 O GLY A 15 3.586 -6.622 4.081 1.00 0.00 O ATOM 0 H GLY A 15 1.967 -3.908 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.039 -5.786 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.837 -4.185 2.425 1.00 0.00 H new ATOM 200 N LEU A 16 1.764 -5.300 4.076 1.00 0.00 N ATOM 201 CA LEU A 16 1.243 -5.825 5.326 1.00 0.00 C ATOM 202 C LEU A 16 0.602 -7.178 5.084 1.00 0.00 C ATOM 203 O LEU A 16 0.571 -8.037 5.965 1.00 0.00 O ATOM 204 CB LEU A 16 0.221 -4.857 5.927 1.00 0.00 C ATOM 205 CG LEU A 16 0.753 -3.450 6.212 1.00 0.00 C ATOM 206 CD1 LEU A 16 -0.241 -2.397 5.746 1.00 0.00 C ATOM 207 CD2 LEU A 16 1.052 -3.282 7.695 1.00 0.00 C ATOM 0 H LEU A 16 1.186 -4.575 3.650 1.00 0.00 H new ATOM 0 HA LEU A 16 2.066 -5.939 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.626 -4.778 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.156 -5.282 6.857 1.00 0.00 H new ATOM 0 HG LEU A 16 1.681 -3.316 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.155 -1.404 5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.406 -2.501 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.186 -2.530 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.429 -2.276 7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.139 -3.438 8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.802 -4.012 8.000 1.00 0.00 H new ATOM 219 N LEU A 17 0.087 -7.357 3.871 1.00 0.00 N ATOM 220 CA LEU A 17 -0.560 -8.597 3.496 1.00 0.00 C ATOM 221 C LEU A 17 0.427 -9.758 3.548 1.00 0.00 C ATOM 222 O LEU A 17 0.198 -10.752 4.237 1.00 0.00 O ATOM 223 CB LEU A 17 -1.162 -8.482 2.094 1.00 0.00 C ATOM 224 CG LEU A 17 -2.485 -9.224 1.895 1.00 0.00 C ATOM 225 CD1 LEU A 17 -2.340 -10.687 2.285 1.00 0.00 C ATOM 226 CD2 LEU A 17 -3.592 -8.562 2.702 1.00 0.00 C ATOM 0 H LEU A 17 0.109 -6.653 3.133 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.361 -8.791 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.317 -7.427 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.438 -8.861 1.372 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.753 -9.176 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.291 -11.199 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.575 -11.155 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.050 -10.757 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.526 -9.102 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.331 -8.580 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.712 -7.529 2.375 1.00 0.00 H new ATOM 238 N LYS A 18 1.527 -9.620 2.816 1.00 0.00 N ATOM 239 CA LYS A 18 2.557 -10.652 2.776 1.00 0.00 C ATOM 240 C LYS A 18 3.239 -10.793 4.121 1.00 0.00 C ATOM 241 O LYS A 18 3.329 -11.894 4.663 1.00 0.00 O ATOM 242 CB LYS A 18 3.590 -10.334 1.686 1.00 0.00 C ATOM 243 CG LYS A 18 4.918 -11.071 1.846 1.00 0.00 C ATOM 244 CD LYS A 18 4.717 -12.560 2.100 1.00 0.00 C ATOM 245 CE LYS A 18 5.431 -13.014 3.366 1.00 0.00 C ATOM 246 NZ LYS A 18 6.828 -13.448 3.090 1.00 0.00 N ATOM 0 H LYS A 18 1.729 -8.802 2.241 1.00 0.00 H new ATOM 0 HA LYS A 18 2.075 -11.601 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.164 -10.583 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.781 -9.261 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.519 -10.934 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.478 -10.634 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.652 -12.775 2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.089 -13.129 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.440 -12.199 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.878 -13.837 3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.280 -13.749 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.819 -14.242 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.363 -12.656 2.681 1.00 0.00 H new ATOM 260 N LYS A 19 3.737 -9.690 4.655 1.00 0.00 N ATOM 261 CA LYS A 19 4.429 -9.745 5.924 1.00 0.00 C ATOM 262 C LYS A 19 3.519 -10.204 7.049 1.00 0.00 C ATOM 263 O LYS A 19 2.442 -9.651 7.270 1.00 0.00 O ATOM 264 CB LYS A 19 5.093 -8.414 6.265 1.00 0.00 C ATOM 265 CG LYS A 19 6.499 -8.578 6.830 1.00 0.00 C ATOM 266 CD LYS A 19 7.367 -9.470 5.944 1.00 0.00 C ATOM 267 CE LYS A 19 7.154 -10.953 6.242 1.00 0.00 C ATOM 268 NZ LYS A 19 8.436 -11.649 6.541 1.00 0.00 N ATOM 0 H LYS A 19 3.675 -8.762 4.235 1.00 0.00 H new ATOM 0 HA LYS A 19 5.217 -10.490 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.137 -7.796 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.476 -7.881 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.967 -7.599 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.441 -9.006 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.137 -9.274 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.417 -9.217 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.477 -11.059 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.673 -11.429 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.248 -12.653 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.073 -11.570 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.883 -11.211 7.372 1.00 0.00 H new ATOM 282 N ILE A 20 3.973 -11.238 7.748 1.00 0.00 N ATOM 283 CA ILE A 20 3.230 -11.812 8.848 1.00 0.00 C ATOM 284 C ILE A 20 3.214 -10.884 10.057 1.00 0.00 C ATOM 285 O ILE A 20 4.009 -9.920 10.072 1.00 0.00 O ATOM 286 CB ILE A 20 3.812 -13.172 9.261 1.00 0.00 C ATOM 287 CG1 ILE A 20 4.217 -13.991 8.027 1.00 0.00 C ATOM 288 CG2 ILE A 20 2.814 -13.941 10.112 1.00 0.00 C ATOM 289 CD1 ILE A 20 3.139 -14.074 6.968 1.00 0.00 C ATOM 290 OXT ILE A 20 2.407 -11.127 10.979 1.00 0.00 O ATOM 0 H ILE A 20 4.865 -11.696 7.564 1.00 0.00 H new ATOM 0 HA ILE A 20 2.207 -11.951 8.498 1.00 0.00 H new ATOM 0 HB ILE A 20 4.708 -12.994 9.856 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.112 -13.550 7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.481 -15.000 8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.242 -14.902 10.396 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.583 -13.367 11.010 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.900 -14.106 9.541 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.499 -14.668 6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.250 -14.543 7.390 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.890 -13.071 6.622 1.00 0.00 H new TER 302 ILE A 20