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+ -144:sc= -0.27 (180deg=-1.1!) 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 -8.024 10.209 -8.226 1.00 0.00 N ATOM 2 CA ILE A 1 -7.692 11.576 -7.735 1.00 0.00 C ATOM 3 C ILE A 1 -6.187 11.758 -7.572 1.00 0.00 C ATOM 4 O ILE A 1 -5.549 12.463 -8.353 1.00 0.00 O ATOM 5 CB ILE A 1 -8.380 11.875 -6.383 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.899 11.747 -6.521 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.004 13.265 -5.881 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.556 11.061 -5.344 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.836 10.260 -8.873 1.00 0.00 H new ATOM 0 H2 ILE A 1 -7.205 9.813 -8.729 1.00 0.00 H new ATOM 0 H3 ILE A 1 -8.263 9.599 -7.419 1.00 0.00 H new ATOM 0 HA ILE A 1 -8.060 12.274 -8.487 1.00 0.00 H new ATOM 0 HB ILE A 1 -8.034 11.145 -5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.330 12.741 -6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.128 11.190 -7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -8.499 13.454 -4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.924 13.323 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.320 14.012 -6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -11.632 11.005 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -10.152 10.054 -5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.358 11.629 -4.435 1.00 0.00 H new HETATM 22 N DIL A 2 -5.627 11.123 -6.548 1.00 0.00 N HETATM 23 CA DIL A 2 -4.205 11.222 -6.280 1.00 0.00 C HETATM 24 C DIL A 2 -3.389 10.687 -7.440 1.00 0.00 C HETATM 25 O DIL A 2 -3.370 11.250 -8.535 1.00 0.00 O HETATM 26 CB DIL A 2 -3.784 12.667 -6.002 1.00 0.00 C HETATM 27 CG1 DIL A 2 -2.325 12.724 -5.537 1.00 0.00 C HETATM 28 CG2 DIL A 2 -4.708 13.309 -4.974 1.00 0.00 C HETATM 29 CD1 DIL A 2 -1.415 13.468 -6.491 1.00 0.00 C HETATM 0 HG23 DIL A 2 -5.730 13.307 -5.352 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -4.664 12.744 -4.043 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -4.391 14.336 -4.791 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -2.282 13.203 -4.559 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -1.952 11.707 -5.411 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -1.428 12.977 -7.464 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -1.763 14.495 -6.599 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -0.398 13.469 -6.098 1.00 0.00 H new HETATM 0 HB DIL A 2 -3.866 13.233 -6.930 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.012 10.618 -5.393 1.00 0.00 H new ATOM 41 N GLY A 3 -2.715 9.597 -7.164 1.00 0.00 N ATOM 42 CA GLY A 3 -1.869 8.944 -8.141 1.00 0.00 C ATOM 43 C GLY A 3 -0.786 8.147 -7.452 1.00 0.00 C ATOM 44 O GLY A 3 -0.803 6.916 -7.474 1.00 0.00 O ATOM 0 H GLY A 3 -2.736 9.135 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.469 8.286 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.419 9.689 -8.798 1.00 0.00 H new ATOM 48 N PRO A 4 0.165 8.832 -6.800 1.00 0.00 N ATOM 49 CA PRO A 4 1.245 8.191 -6.069 1.00 0.00 C ATOM 50 C PRO A 4 0.807 7.793 -4.662 1.00 0.00 C ATOM 51 O PRO A 4 1.564 7.167 -3.920 1.00 0.00 O ATOM 52 CB PRO A 4 2.337 9.272 -6.006 1.00 0.00 C ATOM 53 CG PRO A 4 1.745 10.505 -6.624 1.00 0.00 C ATOM 54 CD PRO A 4 0.259 10.287 -6.699 1.00 0.00 C ATOM 0 HA PRO A 4 1.579 7.270 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.639 9.460 -4.976 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.229 8.956 -6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.976 11.386 -6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.161 10.677 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.253 10.668 -5.815 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.182 10.784 -7.563 1.00 0.00 H new ATOM 62 N VAL A 5 -0.432 8.145 -4.307 1.00 0.00 N ATOM 63 CA VAL A 5 -0.979 7.810 -2.998 1.00 0.00 C ATOM 64 C VAL A 5 -1.550 6.406 -3.035 1.00 0.00 C ATOM 65 O VAL A 5 -1.437 5.638 -2.080 1.00 0.00 O ATOM 66 CB VAL A 5 -2.084 8.799 -2.578 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.557 8.504 -1.161 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.591 10.235 -2.698 1.00 0.00 C ATOM 0 H VAL A 5 -1.072 8.662 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.172 7.871 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.932 8.674 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.337 9.213 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.954 7.490 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.719 8.598 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.385 10.919 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.725 10.378 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.310 10.438 -3.731 1.00 0.00 H new ATOM 78 N LEU A 6 -2.151 6.087 -4.170 1.00 0.00 N ATOM 79 CA LEU A 6 -2.746 4.786 -4.400 1.00 0.00 C ATOM 80 C LEU A 6 -1.682 3.696 -4.313 1.00 0.00 C ATOM 81 O LEU A 6 -1.855 2.698 -3.614 1.00 0.00 O ATOM 82 CB LEU A 6 -3.413 4.791 -5.778 1.00 0.00 C ATOM 83 CG LEU A 6 -3.699 3.414 -6.395 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.191 3.115 -6.365 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.169 3.344 -7.822 1.00 0.00 C ATOM 0 H LEU A 6 -2.239 6.728 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.496 4.578 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.354 5.335 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.777 5.349 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.184 2.659 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.375 2.135 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.542 3.120 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.726 3.875 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.382 2.361 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.654 4.109 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.092 3.512 -7.819 1.00 0.00 H new ATOM 97 N GLY A 7 -0.575 3.905 -5.019 1.00 0.00 N ATOM 98 CA GLY A 7 0.509 2.941 -5.003 1.00 0.00 C ATOM 99 C GLY A 7 1.227 2.911 -3.667 1.00 0.00 C ATOM 100 O GLY A 7 1.854 1.915 -3.316 1.00 0.00 O ATOM 0 H GLY A 7 -0.410 4.725 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.115 1.949 -5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.221 3.184 -5.791 1.00 0.00 H new ATOM 104 N LEU A 8 1.121 4.009 -2.924 1.00 0.00 N ATOM 105 CA LEU A 8 1.740 4.139 -1.616 1.00 0.00 C ATOM 106 C LEU A 8 0.933 3.377 -0.575 1.00 0.00 C ATOM 107 O LEU A 8 1.474 2.776 0.353 1.00 0.00 O ATOM 108 CB LEU A 8 1.787 5.627 -1.260 1.00 0.00 C ATOM 109 CG LEU A 8 1.276 5.985 0.127 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.198 5.431 1.205 1.00 0.00 C ATOM 111 CD2 LEU A 8 1.120 7.493 0.267 1.00 0.00 C ATOM 0 H LEU A 8 0.600 4.835 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 8 2.747 3.723 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.817 5.972 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.202 6.178 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 8 0.295 5.528 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.811 5.700 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.247 4.345 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.196 5.850 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.753 7.730 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.085 7.975 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.409 7.856 -0.476 1.00 0.00 H new ATOM 123 N VAL A 9 -0.372 3.430 -0.761 1.00 0.00 N ATOM 124 CA VAL A 9 -1.326 2.785 0.116 1.00 0.00 C ATOM 125 C VAL A 9 -1.353 1.302 -0.183 1.00 0.00 C ATOM 126 O VAL A 9 -1.247 0.465 0.713 1.00 0.00 O ATOM 127 CB VAL A 9 -2.715 3.439 -0.074 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.659 2.576 -0.908 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.339 3.777 1.272 1.00 0.00 C ATOM 0 H VAL A 9 -0.804 3.930 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.037 2.911 1.159 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.558 4.363 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.619 3.082 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.227 2.414 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.806 1.615 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.315 4.236 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.456 2.865 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.693 4.472 1.808 1.00 0.00 H new ATOM 139 N GLY A 10 -1.436 0.993 -1.468 1.00 0.00 N ATOM 140 CA GLY A 10 -1.411 -0.380 -1.897 1.00 0.00 C ATOM 141 C GLY A 10 -0.076 -0.997 -1.558 1.00 0.00 C ATOM 142 O GLY A 10 0.049 -2.217 -1.450 1.00 0.00 O ATOM 0 H GLY A 10 -1.520 1.676 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.213 -0.937 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.587 -0.438 -2.971 1.00 0.00 H new ATOM 146 N SER A 11 0.928 -0.135 -1.361 1.00 0.00 N ATOM 147 CA SER A 11 2.261 -0.603 -0.999 1.00 0.00 C ATOM 148 C SER A 11 2.258 -1.065 0.448 1.00 0.00 C ATOM 149 O SER A 11 2.808 -2.115 0.784 1.00 0.00 O ATOM 150 CB SER A 11 3.304 0.501 -1.188 1.00 0.00 C ATOM 151 OG SER A 11 4.386 0.048 -1.984 1.00 0.00 O ATOM 0 H SER A 11 0.840 0.878 -1.446 1.00 0.00 H new ATOM 0 HA SER A 11 2.525 -1.434 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.840 1.368 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.674 0.826 -0.216 1.00 0.00 H new ATOM 0 HG SER A 11 5.038 0.772 -2.092 1.00 0.00 H new ATOM 157 N ALA A 12 1.617 -0.271 1.298 1.00 0.00 N ATOM 158 CA ALA A 12 1.516 -0.584 2.712 1.00 0.00 C ATOM 159 C ALA A 12 0.413 -1.606 2.958 1.00 0.00 C ATOM 160 O ALA A 12 0.481 -2.389 3.905 1.00 0.00 O ATOM 161 CB ALA A 12 1.255 0.681 3.515 1.00 0.00 C ATOM 0 H ALA A 12 1.158 0.599 1.027 1.00 0.00 H new ATOM 0 HA ALA A 12 2.462 -1.016 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.182 0.431 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.075 1.383 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.321 1.136 3.184 1.00 0.00 H new ATOM 167 N LEU A 13 -0.607 -1.597 2.099 1.00 0.00 N ATOM 168 CA LEU A 13 -1.719 -2.532 2.237 1.00 0.00 C ATOM 169 C LEU A 13 -1.260 -3.951 1.955 1.00 0.00 C ATOM 170 O LEU A 13 -1.459 -4.857 2.763 1.00 0.00 O ATOM 171 CB LEU A 13 -2.829 -2.160 1.268 1.00 0.00 C ATOM 172 CG LEU A 13 -4.213 -2.727 1.598 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.178 -4.248 1.629 1.00 0.00 C ATOM 174 CD2 LEU A 13 -4.717 -2.175 2.924 1.00 0.00 C ATOM 0 H LEU A 13 -0.684 -0.958 1.308 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.091 -2.477 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.902 -1.073 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.546 -2.499 0.271 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.904 -2.418 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.171 -4.630 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.867 -4.625 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.471 -4.580 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.701 -2.590 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.024 -2.450 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.786 -1.089 2.863 1.00 0.00 H new ATOM 186 N GLY A 14 -0.613 -4.127 0.812 1.00 0.00 N ATOM 187 CA GLY A 14 -0.097 -5.427 0.446 1.00 0.00 C ATOM 188 C GLY A 14 1.150 -5.745 1.236 1.00 0.00 C ATOM 189 O GLY A 14 1.549 -6.903 1.358 1.00 0.00 O ATOM 0 H GLY A 14 -0.437 -3.389 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.854 -6.189 0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.126 -5.449 -0.621 1.00 0.00 H new ATOM 193 N GLY A 15 1.768 -4.695 1.771 1.00 0.00 N ATOM 194 CA GLY A 15 2.982 -4.859 2.550 1.00 0.00 C ATOM 195 C GLY A 15 2.753 -5.625 3.838 1.00 0.00 C ATOM 196 O GLY A 15 3.612 -6.393 4.271 1.00 0.00 O ATOM 0 H GLY A 15 1.448 -3.731 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.726 -5.381 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.394 -3.877 2.784 1.00 0.00 H new ATOM 200 N LEU A 16 1.587 -5.429 4.445 1.00 0.00 N ATOM 201 CA LEU A 16 1.245 -6.116 5.678 1.00 0.00 C ATOM 202 C LEU A 16 0.836 -7.541 5.369 1.00 0.00 C ATOM 203 O LEU A 16 1.092 -8.461 6.144 1.00 0.00 O ATOM 204 CB LEU A 16 0.110 -5.387 6.399 1.00 0.00 C ATOM 205 CG LEU A 16 -0.413 -6.085 7.660 1.00 0.00 C ATOM 206 CD1 LEU A 16 -0.053 -5.283 8.902 1.00 0.00 C ATOM 207 CD2 LEU A 16 -1.921 -6.296 7.576 1.00 0.00 C ATOM 0 H LEU A 16 0.864 -4.798 4.099 1.00 0.00 H new ATOM 0 HA LEU A 16 2.117 -6.126 6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.455 -4.389 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.719 -5.259 5.703 1.00 0.00 H new ATOM 0 HG LEU A 16 0.063 -7.063 7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.432 -5.793 9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.031 -5.189 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.499 -4.291 8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.270 -6.793 8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.418 -5.331 7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.154 -6.915 6.710 1.00 0.00 H new ATOM 219 N LEU A 17 0.193 -7.710 4.220 1.00 0.00 N ATOM 220 CA LEU A 17 -0.262 -9.017 3.796 1.00 0.00 C ATOM 221 C LEU A 17 0.919 -9.906 3.424 1.00 0.00 C ATOM 222 O LEU A 17 0.898 -11.115 3.654 1.00 0.00 O ATOM 223 CB LEU A 17 -1.221 -8.891 2.611 1.00 0.00 C ATOM 224 CG LEU A 17 -2.566 -8.239 2.936 1.00 0.00 C ATOM 225 CD1 LEU A 17 -3.223 -7.712 1.670 1.00 0.00 C ATOM 226 CD2 LEU A 17 -3.482 -9.228 3.645 1.00 0.00 C ATOM 0 H LEU A 17 -0.022 -6.955 3.569 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.792 -9.478 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.733 -8.311 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.405 -9.885 2.204 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.388 -7.397 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.179 -7.252 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.574 -6.970 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.388 -8.536 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.434 -8.746 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.654 -10.091 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.015 -9.556 4.574 1.00 0.00 H new ATOM 238 N LYS A 18 1.949 -9.294 2.849 1.00 0.00 N ATOM 239 CA LYS A 18 3.147 -10.020 2.443 1.00 0.00 C ATOM 240 C LYS A 18 4.018 -10.351 3.638 1.00 0.00 C ATOM 241 O LYS A 18 4.279 -11.522 3.913 1.00 0.00 O ATOM 242 CB LYS A 18 3.944 -9.206 1.414 1.00 0.00 C ATOM 243 CG LYS A 18 5.389 -9.664 1.236 1.00 0.00 C ATOM 244 CD LYS A 18 5.490 -11.175 1.063 1.00 0.00 C ATOM 245 CE LYS A 18 6.412 -11.795 2.103 1.00 0.00 C ATOM 246 NZ LYS A 18 7.842 -11.706 1.697 1.00 0.00 N ATOM 0 H LYS A 18 1.978 -8.293 2.653 1.00 0.00 H new ATOM 0 HA LYS A 18 2.832 -10.957 1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.436 -9.262 0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.941 -8.159 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.822 -9.169 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.976 -9.358 2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.498 -11.619 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.861 -11.404 0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.273 -11.290 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.141 -12.840 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.439 -12.139 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.979 -12.209 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.108 -10.708 1.579 1.00 0.00 H new ATOM 260 N LYS A 19 4.485 -9.330 4.338 1.00 0.00 N ATOM 261 CA LYS A 19 5.346 -9.568 5.474 1.00 0.00 C ATOM 262 C LYS A 19 4.639 -10.354 6.563 1.00 0.00 C ATOM 263 O LYS A 19 3.611 -9.933 7.095 1.00 0.00 O ATOM 264 CB LYS A 19 5.932 -8.271 6.027 1.00 0.00 C ATOM 265 CG LYS A 19 7.393 -8.405 6.442 1.00 0.00 C ATOM 266 CD LYS A 19 8.245 -9.023 5.336 1.00 0.00 C ATOM 267 CE LYS A 19 8.172 -10.549 5.342 1.00 0.00 C ATOM 268 NZ LYS A 19 9.521 -11.173 5.445 1.00 0.00 N ATOM 0 H LYS A 19 4.285 -8.349 4.142 1.00 0.00 H new ATOM 0 HA LYS A 19 6.176 -10.176 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.845 -7.489 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.344 -7.951 6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.789 -7.422 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.461 -9.021 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.911 -8.648 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.282 -8.709 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.555 -10.879 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.683 -10.892 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.425 -12.209 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.102 -10.880 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.979 -10.867 6.327 1.00 0.00 H new ATOM 282 N ILE A 20 5.204 -11.514 6.874 1.00 0.00 N ATOM 283 CA ILE A 20 4.652 -12.395 7.883 1.00 0.00 C ATOM 284 C ILE A 20 4.611 -11.722 9.251 1.00 0.00 C ATOM 285 O ILE A 20 3.496 -11.475 9.755 1.00 0.00 O ATOM 286 CB ILE A 20 5.458 -13.698 7.983 1.00 0.00 C ATOM 287 CG1 ILE A 20 5.778 -14.250 6.587 1.00 0.00 C ATOM 288 CG2 ILE A 20 4.706 -14.730 8.813 1.00 0.00 C ATOM 289 CD1 ILE A 20 7.252 -14.512 6.366 1.00 0.00 C ATOM 290 OXT ILE A 20 5.695 -11.450 9.808 1.00 0.00 O ATOM 0 H ILE A 20 6.054 -11.865 6.433 1.00 0.00 H new ATOM 0 HA ILE A 20 3.633 -12.628 7.575 1.00 0.00 H new ATOM 0 HB ILE A 20 6.401 -13.478 8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.225 -15.177 6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.426 -13.543 5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.293 -15.647 8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.541 -14.339 9.817 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.745 -14.944 8.344 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.406 -14.901 5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.809 -13.582 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.605 -15.242 7.094 1.00 0.00 H new TER 302 ILE A 20