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+ 173:sc= 0 (180deg=-0.0677) USER MOD Single : A 11 SER OG : rot 180:sc= 0 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 -8.333 10.740 -6.496 1.00 0.00 N ATOM 2 CA ILE A 1 -7.072 9.984 -6.709 1.00 0.00 C ATOM 3 C ILE A 1 -5.856 10.881 -6.547 1.00 0.00 C ATOM 4 O ILE A 1 -5.776 11.935 -7.174 1.00 0.00 O ATOM 5 CB ILE A 1 -7.017 9.359 -8.116 1.00 0.00 C ATOM 6 CG1 ILE A 1 -5.853 8.370 -8.205 1.00 0.00 C ATOM 7 CG2 ILE A 1 -6.875 10.447 -9.176 1.00 0.00 C ATOM 8 CD1 ILE A 1 -6.280 6.923 -8.085 1.00 0.00 C ATOM 0 H1 ILE A 1 -9.145 10.133 -6.728 1.00 0.00 H new ATOM 0 H2 ILE A 1 -8.396 11.037 -5.501 1.00 0.00 H new ATOM 0 H3 ILE A 1 -8.342 11.580 -7.109 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.057 9.196 -5.956 1.00 0.00 H new ATOM 0 HB ILE A 1 -7.948 8.822 -8.298 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -5.339 8.511 -9.156 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -5.134 8.595 -7.417 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -6.838 9.989 -10.165 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -7.729 11.122 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.957 11.008 -9.001 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -5.404 6.278 -8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -6.768 6.766 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -6.976 6.681 -8.889 1.00 0.00 H new HETATM 22 N DIL A 2 -4.910 10.446 -5.717 1.00 0.00 N HETATM 23 CA DIL A 2 -3.678 11.192 -5.480 1.00 0.00 C HETATM 24 C DIL A 2 -2.594 10.761 -6.467 1.00 0.00 C HETATM 25 O DIL A 2 -1.671 11.516 -6.774 1.00 0.00 O HETATM 26 CB DIL A 2 -3.903 12.710 -5.597 1.00 0.00 C HETATM 27 CG1 DIL A 2 -2.636 13.488 -5.226 1.00 0.00 C HETATM 28 CG2 DIL A 2 -5.064 13.144 -4.710 1.00 0.00 C HETATM 29 CD1 DIL A 2 -2.296 14.591 -6.205 1.00 0.00 C HETATM 0 HG23 DIL A 2 -5.972 12.626 -5.019 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -4.841 12.897 -3.672 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -5.211 14.220 -4.803 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -2.762 13.920 -4.233 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -1.797 12.794 -5.167 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -2.137 14.163 -7.195 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -3.117 15.307 -6.247 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -1.388 15.099 -5.880 1.00 0.00 H new HETATM 0 HB DIL A 2 -4.147 12.934 -6.636 1.00 0.00 H new HETATM 0 HA DIL A 2 -3.355 10.970 -4.463 1.00 0.00 H new ATOM 41 N GLY A 3 -2.711 9.531 -6.951 1.00 0.00 N ATOM 42 CA GLY A 3 -1.738 8.998 -7.886 1.00 0.00 C ATOM 43 C GLY A 3 -0.679 8.178 -7.176 1.00 0.00 C ATOM 44 O GLY A 3 -0.843 6.969 -7.005 1.00 0.00 O ATOM 0 H GLY A 3 -3.467 8.889 -6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.244 8.378 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.264 9.817 -8.427 1.00 0.00 H new ATOM 48 N PRO A 4 0.426 8.808 -6.737 1.00 0.00 N ATOM 49 CA PRO A 4 1.500 8.113 -6.029 1.00 0.00 C ATOM 50 C PRO A 4 1.090 7.710 -4.613 1.00 0.00 C ATOM 51 O PRO A 4 1.816 6.989 -3.930 1.00 0.00 O ATOM 52 CB PRO A 4 2.647 9.137 -5.987 1.00 0.00 C ATOM 53 CG PRO A 4 2.221 10.259 -6.878 1.00 0.00 C ATOM 54 CD PRO A 4 0.721 10.237 -6.886 1.00 0.00 C ATOM 0 HA PRO A 4 1.773 7.183 -6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.820 9.489 -4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.580 8.694 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.595 11.214 -6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.618 10.130 -7.885 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.302 10.826 -6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.314 10.641 -7.813 1.00 0.00 H new ATOM 62 N VAL A 5 -0.089 8.159 -4.188 1.00 0.00 N ATOM 63 CA VAL A 5 -0.605 7.824 -2.867 1.00 0.00 C ATOM 64 C VAL A 5 -1.307 6.481 -2.935 1.00 0.00 C ATOM 65 O VAL A 5 -1.218 5.660 -2.021 1.00 0.00 O ATOM 66 CB VAL A 5 -1.588 8.893 -2.350 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.005 8.593 -0.918 1.00 0.00 C ATOM 68 CG2 VAL A 5 -0.972 10.280 -2.452 1.00 0.00 C ATOM 0 H VAL A 5 -0.704 8.756 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 5 0.235 7.781 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.480 8.868 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.699 9.360 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.492 7.618 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.124 8.586 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.681 11.021 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.062 10.319 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.731 10.496 -3.493 1.00 0.00 H new ATOM 78 N LEU A 6 -1.987 6.269 -4.052 1.00 0.00 N ATOM 79 CA LEU A 6 -2.705 5.036 -4.308 1.00 0.00 C ATOM 80 C LEU A 6 -1.738 3.855 -4.286 1.00 0.00 C ATOM 81 O LEU A 6 -1.978 2.853 -3.614 1.00 0.00 O ATOM 82 CB LEU A 6 -3.397 5.145 -5.667 1.00 0.00 C ATOM 83 CG LEU A 6 -3.865 3.822 -6.286 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.383 3.779 -6.385 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.235 3.623 -7.657 1.00 0.00 C ATOM 0 H LEU A 6 -2.055 6.952 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.455 4.872 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.261 5.801 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.713 5.629 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.543 3.009 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.692 2.832 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.815 3.873 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.730 4.601 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.578 2.679 -8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.526 4.443 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.150 3.604 -7.559 1.00 0.00 H new ATOM 97 N GLY A 7 -0.638 3.995 -5.019 1.00 0.00 N ATOM 98 CA GLY A 7 0.362 2.945 -5.067 1.00 0.00 C ATOM 99 C GLY A 7 1.107 2.810 -3.754 1.00 0.00 C ATOM 100 O GLY A 7 1.656 1.754 -3.449 1.00 0.00 O ATOM 0 H GLY A 7 -0.421 4.818 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.119 1.997 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.072 3.157 -5.867 1.00 0.00 H new ATOM 104 N LEU A 8 1.109 3.884 -2.972 1.00 0.00 N ATOM 105 CA LEU A 8 1.763 3.908 -1.677 1.00 0.00 C ATOM 106 C LEU A 8 0.910 3.158 -0.664 1.00 0.00 C ATOM 107 O LEU A 8 1.406 2.432 0.196 1.00 0.00 O ATOM 108 CB LEU A 8 1.935 5.372 -1.259 1.00 0.00 C ATOM 109 CG LEU A 8 1.454 5.725 0.142 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.392 5.155 1.197 1.00 0.00 C ATOM 111 CD2 LEU A 8 1.323 7.235 0.300 1.00 0.00 C ATOM 0 H LEU A 8 0.655 4.762 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 8 2.738 3.424 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.991 5.630 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.402 5.999 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 8 0.470 5.278 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.028 5.420 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.430 4.070 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.391 5.566 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.978 7.467 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.292 7.704 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.605 7.616 -0.426 1.00 0.00 H new ATOM 123 N VAL A 9 -0.388 3.351 -0.810 1.00 0.00 N ATOM 124 CA VAL A 9 -1.385 2.736 0.038 1.00 0.00 C ATOM 125 C VAL A 9 -1.556 1.288 -0.372 1.00 0.00 C ATOM 126 O VAL A 9 -1.545 0.380 0.459 1.00 0.00 O ATOM 127 CB VAL A 9 -2.707 3.527 -0.077 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.761 2.783 -0.891 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.239 3.880 1.304 1.00 0.00 C ATOM 0 H VAL A 9 -0.783 3.950 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.072 2.757 1.082 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.485 4.448 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.671 3.381 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.385 2.608 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.981 1.828 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.171 4.437 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.422 2.965 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.506 4.491 1.831 1.00 0.00 H new ATOM 139 N GLY A 10 -1.649 1.084 -1.678 1.00 0.00 N ATOM 140 CA GLY A 10 -1.751 -0.251 -2.208 1.00 0.00 C ATOM 141 C GLY A 10 -0.461 -0.994 -1.957 1.00 0.00 C ATOM 142 O GLY A 10 -0.437 -2.224 -1.910 1.00 0.00 O ATOM 0 H GLY A 10 -1.655 1.825 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.583 -0.777 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.959 -0.214 -3.277 1.00 0.00 H new ATOM 146 N SER A 11 0.620 -0.229 -1.761 1.00 0.00 N ATOM 147 CA SER A 11 1.921 -0.823 -1.475 1.00 0.00 C ATOM 148 C SER A 11 1.916 -1.363 -0.055 1.00 0.00 C ATOM 149 O SER A 11 2.322 -2.498 0.196 1.00 0.00 O ATOM 150 CB SER A 11 3.045 0.204 -1.643 1.00 0.00 C ATOM 151 OG SER A 11 4.294 -0.337 -1.244 1.00 0.00 O ATOM 0 H SER A 11 0.616 0.790 -1.796 1.00 0.00 H new ATOM 0 HA SER A 11 2.102 -1.634 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.099 0.522 -2.684 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.823 1.091 -1.050 1.00 0.00 H new ATOM 0 HG SER A 11 4.995 0.337 -1.362 1.00 0.00 H new ATOM 157 N ALA A 12 1.424 -0.542 0.866 1.00 0.00 N ATOM 158 CA ALA A 12 1.329 -0.928 2.262 1.00 0.00 C ATOM 159 C ALA A 12 0.201 -1.933 2.448 1.00 0.00 C ATOM 160 O ALA A 12 0.262 -2.797 3.323 1.00 0.00 O ATOM 161 CB ALA A 12 1.106 0.297 3.137 1.00 0.00 C ATOM 0 H ALA A 12 1.084 0.399 0.666 1.00 0.00 H new ATOM 0 HA ALA A 12 2.266 -1.396 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.037 -0.009 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.941 0.987 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.180 0.791 2.842 1.00 0.00 H new ATOM 167 N LEU A 13 -0.829 -1.820 1.610 1.00 0.00 N ATOM 168 CA LEU A 13 -1.965 -2.731 1.681 1.00 0.00 C ATOM 169 C LEU A 13 -1.517 -4.146 1.368 1.00 0.00 C ATOM 170 O LEU A 13 -1.758 -5.077 2.137 1.00 0.00 O ATOM 171 CB LEU A 13 -3.031 -2.305 0.685 1.00 0.00 C ATOM 172 CG LEU A 13 -4.420 -2.900 0.925 1.00 0.00 C ATOM 173 CD1 LEU A 13 -5.116 -2.186 2.073 1.00 0.00 C ATOM 174 CD2 LEU A 13 -5.258 -2.823 -0.342 1.00 0.00 C ATOM 0 H LEU A 13 -0.898 -1.111 0.880 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.378 -2.700 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.110 -1.218 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.702 -2.583 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.304 -3.949 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.102 -2.623 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.524 -2.294 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.222 -1.128 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.243 -3.251 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.366 -1.781 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.766 -3.382 -1.138 1.00 0.00 H new ATOM 186 N GLY A 14 -0.825 -4.287 0.248 1.00 0.00 N ATOM 187 CA GLY A 14 -0.302 -5.576 -0.145 1.00 0.00 C ATOM 188 C GLY A 14 0.943 -5.900 0.647 1.00 0.00 C ATOM 189 O GLY A 14 1.346 -7.058 0.757 1.00 0.00 O ATOM 0 H GLY A 14 -0.616 -3.526 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.055 -6.347 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.073 -5.574 -1.211 1.00 0.00 H new ATOM 193 N GLY A 15 1.549 -4.852 1.203 1.00 0.00 N ATOM 194 CA GLY A 15 2.756 -5.015 1.995 1.00 0.00 C ATOM 195 C GLY A 15 2.482 -5.672 3.332 1.00 0.00 C ATOM 196 O GLY A 15 3.360 -6.316 3.906 1.00 0.00 O ATOM 0 H GLY A 15 1.223 -3.889 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.475 -5.616 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.215 -4.040 2.159 1.00 0.00 H new ATOM 200 N LEU A 16 1.253 -5.528 3.818 1.00 0.00 N ATOM 201 CA LEU A 16 0.856 -6.129 5.080 1.00 0.00 C ATOM 202 C LEU A 16 0.615 -7.612 4.874 1.00 0.00 C ATOM 203 O LEU A 16 0.785 -8.419 5.788 1.00 0.00 O ATOM 204 CB LEU A 16 -0.407 -5.456 5.618 1.00 0.00 C ATOM 205 CG LEU A 16 -0.746 -5.782 7.074 1.00 0.00 C ATOM 206 CD1 LEU A 16 0.412 -5.410 7.990 1.00 0.00 C ATOM 207 CD2 LEU A 16 -2.018 -5.062 7.498 1.00 0.00 C ATOM 0 H LEU A 16 0.515 -4.998 3.353 1.00 0.00 H new ATOM 0 HA LEU A 16 1.653 -5.990 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.294 -4.376 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.250 -5.746 4.991 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.915 -6.856 7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.152 -5.649 9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.300 -5.972 7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.614 -4.342 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.245 -5.305 8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.877 -3.986 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.845 -5.379 6.862 1.00 0.00 H new ATOM 219 N LEU A 17 0.224 -7.961 3.651 1.00 0.00 N ATOM 220 CA LEU A 17 -0.038 -9.341 3.301 1.00 0.00 C ATOM 221 C LEU A 17 1.255 -10.149 3.334 1.00 0.00 C ATOM 222 O LEU A 17 1.289 -11.269 3.842 1.00 0.00 O ATOM 223 CB LEU A 17 -0.681 -9.428 1.913 1.00 0.00 C ATOM 224 CG LEU A 17 -2.171 -9.777 1.908 1.00 0.00 C ATOM 225 CD1 LEU A 17 -2.400 -11.154 2.512 1.00 0.00 C ATOM 226 CD2 LEU A 17 -2.965 -8.722 2.663 1.00 0.00 C ATOM 0 H LEU A 17 0.083 -7.299 2.888 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.731 -9.758 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.546 -8.472 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.146 -10.177 1.328 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.518 -9.796 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.465 -11.384 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.861 -11.901 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.038 -11.165 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.023 -8.985 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.616 -8.673 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.826 -7.752 2.186 1.00 0.00 H new ATOM 238 N LYS A 18 2.318 -9.564 2.791 1.00 0.00 N ATOM 239 CA LYS A 18 3.621 -10.219 2.758 1.00 0.00 C ATOM 240 C LYS A 18 4.314 -10.123 4.101 1.00 0.00 C ATOM 241 O LYS A 18 4.677 -11.139 4.692 1.00 0.00 O ATOM 242 CB LYS A 18 4.504 -9.607 1.662 1.00 0.00 C ATOM 243 CG LYS A 18 5.998 -9.868 1.841 1.00 0.00 C ATOM 244 CD LYS A 18 6.290 -11.334 2.141 1.00 0.00 C ATOM 245 CE LYS A 18 7.155 -11.495 3.385 1.00 0.00 C ATOM 246 NZ LYS A 18 8.578 -11.142 3.124 1.00 0.00 N ATOM 0 H LYS A 18 2.302 -8.636 2.367 1.00 0.00 H new ATOM 0 HA LYS A 18 3.459 -11.273 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.191 -10.003 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.336 -8.530 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.529 -9.570 0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.379 -9.249 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.351 -11.871 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.794 -11.787 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.765 -10.862 4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.096 -12.525 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.132 -11.265 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.959 -11.762 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.638 -10.152 2.813 1.00 0.00 H new ATOM 260 N LYS A 19 4.522 -8.906 4.575 1.00 0.00 N ATOM 261 CA LYS A 19 5.206 -8.721 5.835 1.00 0.00 C ATOM 262 C LYS A 19 4.474 -9.389 6.985 1.00 0.00 C ATOM 263 O LYS A 19 3.274 -9.200 7.180 1.00 0.00 O ATOM 264 CB LYS A 19 5.456 -7.245 6.129 1.00 0.00 C ATOM 265 CG LYS A 19 6.857 -6.973 6.663 1.00 0.00 C ATOM 266 CD LYS A 19 7.933 -7.599 5.778 1.00 0.00 C ATOM 267 CE LYS A 19 8.177 -9.067 6.124 1.00 0.00 C ATOM 268 NZ LYS A 19 9.617 -9.344 6.385 1.00 0.00 N ATOM 0 H LYS A 19 4.230 -8.045 4.111 1.00 0.00 H new ATOM 0 HA LYS A 19 6.175 -9.210 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.302 -6.668 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.722 -6.896 6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.019 -5.897 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.943 -7.369 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.635 -7.518 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.863 -7.041 5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.591 -9.335 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.829 -9.696 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.741 -10.350 6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.174 -9.112 5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.943 -8.763 7.183 1.00 0.00 H new ATOM 282 N ILE A 20 5.225 -10.187 7.734 1.00 0.00 N ATOM 283 CA ILE A 20 4.690 -10.915 8.863 1.00 0.00 C ATOM 284 C ILE A 20 4.410 -9.989 10.042 1.00 0.00 C ATOM 285 O ILE A 20 5.383 -9.508 10.660 1.00 0.00 O ATOM 286 CB ILE A 20 5.648 -12.031 9.307 1.00 0.00 C ATOM 287 CG1 ILE A 20 6.274 -12.730 8.091 1.00 0.00 C ATOM 288 CG2 ILE A 20 4.925 -13.037 10.190 1.00 0.00 C ATOM 289 CD1 ILE A 20 5.263 -13.177 7.057 1.00 0.00 C ATOM 290 OXT ILE A 20 3.219 -9.749 10.335 1.00 0.00 O ATOM 0 H ILE A 20 6.220 -10.343 7.571 1.00 0.00 H new ATOM 0 HA ILE A 20 3.750 -11.361 8.537 1.00 0.00 H new ATOM 0 HB ILE A 20 6.451 -11.578 9.888 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.986 -12.052 7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.838 -13.598 8.433 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.620 -13.820 10.494 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.537 -12.532 11.075 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.099 -13.481 9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.780 -13.662 6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.565 -13.881 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.715 -12.311 6.686 1.00 0.00 H new TER 302 ILE A 20