USER MOD reduce.3.24.130724 H: found=0, std=0, add=166, 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 H : A 2 DIL N : A 1 ILE C :(H bumps) USER MOD Single : A 1 ILE N :NH3+ -164:sc= 0 (180deg=-0.115) 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 -8.228 10.875 -7.578 1.00 0.00 N ATOM 2 CA ILE A 1 -7.738 12.244 -7.272 1.00 0.00 C ATOM 3 C ILE A 1 -6.217 12.265 -7.149 1.00 0.00 C ATOM 4 O ILE A 1 -5.520 12.716 -8.056 1.00 0.00 O ATOM 5 CB ILE A 1 -8.365 12.781 -5.967 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.889 12.851 -6.099 1.00 0.00 C ATOM 7 CG2 ILE A 1 -7.794 14.150 -5.620 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.616 11.826 -5.255 1.00 0.00 C ATOM 0 H1 ILE A 1 -9.209 10.926 -7.921 1.00 0.00 H new ATOM 0 H2 ILE A 1 -7.627 10.447 -8.311 1.00 0.00 H new ATOM 0 H3 ILE A 1 -8.192 10.293 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 1 -8.038 12.887 -8.099 1.00 0.00 H new ATOM 0 HB ILE A 1 -8.118 12.094 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.225 13.848 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.162 12.709 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -8.249 14.511 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.715 14.071 -5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.009 14.849 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -11.691 11.934 -5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -10.309 10.824 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.372 11.981 -4.204 1.00 0.00 H new HETATM 22 N DIL A 2 -5.713 11.767 -6.020 1.00 0.00 N HETATM 23 CA DIL A 2 -4.277 11.713 -5.756 1.00 0.00 C HETATM 24 C DIL A 2 -3.500 11.193 -6.952 1.00 0.00 C HETATM 25 O DIL A 2 -3.270 11.893 -7.938 1.00 0.00 O HETATM 26 CB DIL A 2 -3.707 13.073 -5.304 1.00 0.00 C HETATM 27 CG1 DIL A 2 -4.198 14.209 -6.206 1.00 0.00 C HETATM 28 CG2 DIL A 2 -2.184 13.041 -5.260 1.00 0.00 C HETATM 29 CD1 DIL A 2 -3.629 15.562 -5.838 1.00 0.00 C HETATM 0 HG23 DIL A 2 -1.856 12.275 -4.558 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -1.796 12.813 -6.253 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -1.809 14.013 -4.938 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -3.934 13.982 -7.239 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -5.286 14.256 -6.158 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -3.915 15.811 -4.816 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -2.542 15.532 -5.914 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -4.020 16.318 -6.519 1.00 0.00 H new HETATM 0 HB DIL A 2 -4.073 13.263 -4.295 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.153 11.010 -4.932 1.00 0.00 H new HETATM 0 H2 DIL A 2 -6.352 12.099 -5.298 1.00 0.00 H new ATOM 41 N GLY A 3 -3.090 9.951 -6.819 1.00 0.00 N ATOM 42 CA GLY A 3 -2.318 9.286 -7.848 1.00 0.00 C ATOM 43 C GLY A 3 -1.208 8.458 -7.241 1.00 0.00 C ATOM 44 O GLY A 3 -1.195 7.234 -7.373 1.00 0.00 O ATOM 0 H GLY A 3 -3.281 9.375 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.971 8.646 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.895 10.027 -8.526 1.00 0.00 H new ATOM 48 N PRO A 4 -0.261 9.107 -6.546 1.00 0.00 N ATOM 49 CA PRO A 4 0.848 8.428 -5.894 1.00 0.00 C ATOM 50 C PRO A 4 0.470 7.904 -4.511 1.00 0.00 C ATOM 51 O PRO A 4 1.278 7.263 -3.840 1.00 0.00 O ATOM 52 CB PRO A 4 1.891 9.528 -5.785 1.00 0.00 C ATOM 53 CG PRO A 4 1.086 10.756 -5.566 1.00 0.00 C ATOM 54 CD PRO A 4 -0.204 10.564 -6.327 1.00 0.00 C ATOM 0 HA PRO A 4 1.184 7.549 -6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.579 9.347 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.493 9.600 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.891 10.908 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.619 11.638 -5.922 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.063 10.918 -5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.199 11.112 -7.269 1.00 0.00 H new ATOM 62 N VAL A 5 -0.772 8.162 -4.097 1.00 0.00 N ATOM 63 CA VAL A 5 -1.255 7.695 -2.802 1.00 0.00 C ATOM 64 C VAL A 5 -1.744 6.266 -2.935 1.00 0.00 C ATOM 65 O VAL A 5 -1.572 5.439 -2.040 1.00 0.00 O ATOM 66 CB VAL A 5 -2.400 8.578 -2.271 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.763 8.186 -0.847 1.00 0.00 C ATOM 68 CG2 VAL A 5 -2.020 10.049 -2.346 1.00 0.00 C ATOM 0 H VAL A 5 -1.457 8.689 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.429 7.750 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.276 8.420 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.574 8.821 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.083 7.144 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.893 8.311 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.841 10.657 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.129 10.226 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.817 10.320 -3.382 1.00 0.00 H new ATOM 78 N LEU A 6 -2.343 5.995 -4.084 1.00 0.00 N ATOM 79 CA LEU A 6 -2.862 4.683 -4.404 1.00 0.00 C ATOM 80 C LEU A 6 -1.736 3.654 -4.404 1.00 0.00 C ATOM 81 O LEU A 6 -1.841 2.600 -3.778 1.00 0.00 O ATOM 82 CB LEU A 6 -3.533 4.751 -5.773 1.00 0.00 C ATOM 83 CG LEU A 6 -3.857 3.405 -6.424 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.060 2.762 -5.749 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.107 3.587 -7.913 1.00 0.00 C ATOM 0 H LEU A 6 -2.481 6.686 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.591 4.376 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.459 5.318 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.885 5.312 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.002 2.741 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.276 1.806 -6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.842 2.601 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.925 3.418 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.336 2.622 -8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.947 4.265 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.217 4.005 -8.383 1.00 0.00 H new ATOM 97 N GLY A 7 -0.652 3.979 -5.103 1.00 0.00 N ATOM 98 CA GLY A 7 0.489 3.086 -5.166 1.00 0.00 C ATOM 99 C GLY A 7 1.220 3.001 -3.841 1.00 0.00 C ATOM 100 O GLY A 7 1.915 2.025 -3.568 1.00 0.00 O ATOM 0 H GLY A 7 -0.545 4.847 -5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.154 2.091 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.177 3.431 -5.938 1.00 0.00 H new ATOM 104 N LEU A 8 1.050 4.029 -3.015 1.00 0.00 N ATOM 105 CA LEU A 8 1.674 4.093 -1.706 1.00 0.00 C ATOM 106 C LEU A 8 0.933 3.188 -0.734 1.00 0.00 C ATOM 107 O LEU A 8 1.525 2.527 0.119 1.00 0.00 O ATOM 108 CB LEU A 8 1.619 5.544 -1.222 1.00 0.00 C ATOM 109 CG LEU A 8 1.087 5.742 0.189 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.034 5.138 1.215 1.00 0.00 C ATOM 111 CD2 LEU A 8 0.851 7.218 0.473 1.00 0.00 C ATOM 0 H LEU A 8 0.474 4.840 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 8 2.709 3.757 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.623 5.965 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.996 6.115 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 8 0.131 5.224 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.632 5.292 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.140 4.070 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.009 5.619 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.471 7.337 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.790 7.763 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.123 7.613 -0.236 1.00 0.00 H new ATOM 123 N VAL A 9 -0.377 3.183 -0.893 1.00 0.00 N ATOM 124 CA VAL A 9 -1.273 2.399 -0.072 1.00 0.00 C ATOM 125 C VAL A 9 -1.227 0.952 -0.522 1.00 0.00 C ATOM 126 O VAL A 9 -1.063 0.037 0.282 1.00 0.00 O ATOM 127 CB VAL A 9 -2.698 2.988 -0.167 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.623 2.138 -1.032 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.289 3.186 1.221 1.00 0.00 C ATOM 0 H VAL A 9 -0.853 3.733 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.965 2.434 0.973 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.611 3.959 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.612 2.596 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.218 2.073 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.701 1.137 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.293 3.602 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.337 2.227 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.661 3.872 1.789 1.00 0.00 H new ATOM 139 N GLY A 10 -1.315 0.769 -1.831 1.00 0.00 N ATOM 140 CA GLY A 10 -1.224 -0.552 -2.399 1.00 0.00 C ATOM 141 C GLY A 10 0.168 -1.099 -2.202 1.00 0.00 C ATOM 142 O GLY A 10 0.383 -2.311 -2.228 1.00 0.00 O ATOM 0 H GLY A 10 -1.448 1.519 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.953 -1.211 -1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.464 -0.518 -3.462 1.00 0.00 H new ATOM 146 N SER A 11 1.121 -0.188 -1.977 1.00 0.00 N ATOM 147 CA SER A 11 2.505 -0.584 -1.745 1.00 0.00 C ATOM 148 C SER A 11 2.641 -1.161 -0.344 1.00 0.00 C ATOM 149 O SER A 11 3.288 -2.188 -0.137 1.00 0.00 O ATOM 150 CB SER A 11 3.448 0.610 -1.914 1.00 0.00 C ATOM 151 OG SER A 11 4.680 0.390 -1.249 1.00 0.00 O ATOM 0 H SER A 11 0.957 0.818 -1.952 1.00 0.00 H new ATOM 0 HA SER A 11 2.780 -1.342 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.631 0.785 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.975 1.509 -1.519 1.00 0.00 H new ATOM 0 HG SER A 11 5.263 1.168 -1.375 1.00 0.00 H new ATOM 157 N ALA A 12 2.008 -0.493 0.615 1.00 0.00 N ATOM 158 CA ALA A 12 2.035 -0.929 1.999 1.00 0.00 C ATOM 159 C ALA A 12 0.999 -2.022 2.241 1.00 0.00 C ATOM 160 O ALA A 12 1.172 -2.870 3.116 1.00 0.00 O ATOM 161 CB ALA A 12 1.790 0.250 2.929 1.00 0.00 C ATOM 0 H ALA A 12 1.468 0.357 0.453 1.00 0.00 H new ATOM 0 HA ALA A 12 3.022 -1.341 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.813 -0.092 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.566 1.000 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.815 0.687 2.713 1.00 0.00 H new ATOM 167 N LEU A 13 -0.079 -1.998 1.458 1.00 0.00 N ATOM 168 CA LEU A 13 -1.136 -2.995 1.596 1.00 0.00 C ATOM 169 C LEU A 13 -0.594 -4.390 1.332 1.00 0.00 C ATOM 170 O LEU A 13 -0.759 -5.299 2.146 1.00 0.00 O ATOM 171 CB LEU A 13 -2.254 -2.704 0.612 1.00 0.00 C ATOM 172 CG LEU A 13 -3.292 -1.683 1.083 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.215 -1.291 -0.061 1.00 0.00 C ATOM 174 CD2 LEU A 13 -4.097 -2.239 2.249 1.00 0.00 C ATOM 0 H LEU A 13 -0.242 -1.305 0.728 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.519 -2.947 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.813 -2.346 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.766 -3.639 0.383 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.765 -0.791 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.946 -0.564 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.628 -0.851 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.733 -2.176 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.830 -1.499 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.612 -3.147 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.427 -2.469 3.077 1.00 0.00 H new ATOM 186 N GLY A 14 0.078 -4.542 0.199 1.00 0.00 N ATOM 187 CA GLY A 14 0.665 -5.819 -0.145 1.00 0.00 C ATOM 188 C GLY A 14 1.811 -6.149 0.780 1.00 0.00 C ATOM 189 O GLY A 14 2.204 -7.308 0.920 1.00 0.00 O ATOM 0 H GLY A 14 0.226 -3.802 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.093 -6.600 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.019 -5.796 -1.176 1.00 0.00 H new ATOM 193 N GLY A 15 2.346 -5.111 1.415 1.00 0.00 N ATOM 194 CA GLY A 15 3.454 -5.287 2.335 1.00 0.00 C ATOM 195 C GLY A 15 3.017 -5.884 3.657 1.00 0.00 C ATOM 196 O GLY A 15 3.737 -6.684 4.254 1.00 0.00 O ATOM 0 H GLY A 15 2.030 -4.147 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.203 -5.933 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.931 -4.323 2.514 1.00 0.00 H new ATOM 200 N LEU A 16 1.823 -5.509 4.107 1.00 0.00 N ATOM 201 CA LEU A 16 1.280 -6.024 5.353 1.00 0.00 C ATOM 202 C LEU A 16 0.759 -7.433 5.136 1.00 0.00 C ATOM 203 O LEU A 16 0.737 -8.254 6.053 1.00 0.00 O ATOM 204 CB LEU A 16 0.156 -5.117 5.861 1.00 0.00 C ATOM 205 CG LEU A 16 0.153 -4.873 7.371 1.00 0.00 C ATOM 206 CD1 LEU A 16 1.259 -3.903 7.757 1.00 0.00 C ATOM 207 CD2 LEU A 16 -1.202 -4.346 7.821 1.00 0.00 C ATOM 0 H LEU A 16 1.214 -4.849 3.624 1.00 0.00 H new ATOM 0 HA LEU A 16 2.070 -6.045 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.228 -4.155 5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.801 -5.556 5.577 1.00 0.00 H new ATOM 0 HG LEU A 16 0.338 -5.822 7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.241 -3.741 8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.224 -4.318 7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.105 -2.953 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.188 -4.178 8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.415 -3.407 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.975 -5.075 7.578 1.00 0.00 H new ATOM 219 N LEU A 17 0.337 -7.702 3.904 1.00 0.00 N ATOM 220 CA LEU A 17 -0.189 -9.004 3.548 1.00 0.00 C ATOM 221 C LEU A 17 0.882 -10.079 3.698 1.00 0.00 C ATOM 222 O LEU A 17 0.673 -11.092 4.364 1.00 0.00 O ATOM 223 CB LEU A 17 -0.727 -8.989 2.115 1.00 0.00 C ATOM 224 CG LEU A 17 -2.136 -9.560 1.946 1.00 0.00 C ATOM 225 CD1 LEU A 17 -2.190 -10.998 2.436 1.00 0.00 C ATOM 226 CD2 LEU A 17 -3.149 -8.703 2.688 1.00 0.00 C ATOM 0 H LEU A 17 0.352 -7.029 3.137 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.009 -9.238 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.722 -7.961 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.044 -9.554 1.481 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.388 -9.550 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.200 -11.388 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.491 -11.605 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.918 -11.033 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.146 -9.123 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.900 -8.682 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.128 -7.688 2.290 1.00 0.00 H new ATOM 238 N LYS A 18 2.033 -9.845 3.074 1.00 0.00 N ATOM 239 CA LYS A 18 3.142 -10.789 3.137 1.00 0.00 C ATOM 240 C LYS A 18 3.802 -10.767 4.500 1.00 0.00 C ATOM 241 O LYS A 18 3.946 -11.808 5.140 1.00 0.00 O ATOM 242 CB LYS A 18 4.174 -10.481 2.043 1.00 0.00 C ATOM 243 CG LYS A 18 5.555 -11.082 2.294 1.00 0.00 C ATOM 244 CD LYS A 18 5.477 -12.551 2.695 1.00 0.00 C ATOM 245 CE LYS A 18 6.302 -12.839 3.943 1.00 0.00 C ATOM 246 NZ LYS A 18 7.292 -13.927 3.713 1.00 0.00 N ATOM 0 H LYS A 18 2.221 -9.010 2.519 1.00 0.00 H new ATOM 0 HA LYS A 18 2.740 -11.788 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.797 -10.852 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.273 -9.400 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.162 -10.984 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.058 -10.518 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.437 -12.824 2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.832 -13.172 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.823 -11.933 4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.638 -13.119 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.834 -14.094 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.793 -14.799 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.942 -13.650 2.950 1.00 0.00 H new ATOM 260 N LYS A 19 4.221 -9.593 4.942 1.00 0.00 N ATOM 261 CA LYS A 19 4.885 -9.496 6.222 1.00 0.00 C ATOM 262 C LYS A 19 3.977 -9.910 7.366 1.00 0.00 C ATOM 263 O LYS A 19 2.878 -9.383 7.536 1.00 0.00 O ATOM 264 CB LYS A 19 5.464 -8.103 6.457 1.00 0.00 C ATOM 265 CG LYS A 19 6.858 -8.134 7.074 1.00 0.00 C ATOM 266 CD LYS A 19 7.799 -9.061 6.307 1.00 0.00 C ATOM 267 CE LYS A 19 7.655 -10.516 6.748 1.00 0.00 C ATOM 268 NZ LYS A 19 8.961 -11.106 7.151 1.00 0.00 N ATOM 0 H LYS A 19 4.114 -8.711 4.441 1.00 0.00 H new ATOM 0 HA LYS A 19 5.718 -10.199 6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.504 -7.567 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.795 -7.543 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.272 -7.126 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.789 -8.463 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.593 -8.984 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.829 -8.737 6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.957 -10.575 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.228 -11.102 5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.820 -12.094 7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.620 -11.073 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.357 -10.563 7.945 1.00 0.00 H new ATOM 282 N ILE A 20 4.456 -10.878 8.138 1.00 0.00 N ATOM 283 CA ILE A 20 3.716 -11.402 9.266 1.00 0.00 C ATOM 284 C ILE A 20 3.566 -10.360 10.369 1.00 0.00 C ATOM 285 O ILE A 20 2.509 -9.697 10.415 1.00 0.00 O ATOM 286 CB ILE A 20 4.394 -12.655 9.840 1.00 0.00 C ATOM 287 CG1 ILE A 20 4.887 -13.575 8.714 1.00 0.00 C ATOM 288 CG2 ILE A 20 3.440 -13.399 10.762 1.00 0.00 C ATOM 289 CD1 ILE A 20 3.848 -13.847 7.648 1.00 0.00 C ATOM 290 OXT ILE A 20 4.507 -10.216 11.177 1.00 0.00 O ATOM 0 H ILE A 20 5.366 -11.317 7.996 1.00 0.00 H new ATOM 0 HA ILE A 20 2.725 -11.668 8.898 1.00 0.00 H new ATOM 0 HB ILE A 20 5.261 -12.339 10.421 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.763 -13.125 8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.207 -14.523 9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.935 -14.284 11.161 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.146 -12.747 11.584 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.554 -13.700 10.203 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.270 -14.504 6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.980 -14.326 8.100 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.545 -12.907 7.187 1.00 0.00 H new TER 302 ILE A 20