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+ 172:sc= -0.0774 (180deg=-0.151) USER MOD Single : A 11 SER OG : rot 86:sc= 1.19 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 -7.919 6.359 -7.247 1.00 0.00 N ATOM 2 CA ILE A 1 -8.177 7.595 -8.038 1.00 0.00 C ATOM 3 C ILE A 1 -6.900 8.406 -8.239 1.00 0.00 C ATOM 4 O ILE A 1 -6.698 9.008 -9.294 1.00 0.00 O ATOM 5 CB ILE A 1 -9.237 8.492 -7.363 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.559 9.695 -8.252 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.757 8.955 -5.994 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.325 9.333 -9.505 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.823 5.902 -7.013 1.00 0.00 H new ATOM 0 H2 ILE A 1 -7.335 5.705 -7.806 1.00 0.00 H new ATOM 0 H3 ILE A 1 -7.419 6.607 -6.370 1.00 0.00 H new ATOM 0 HA ILE A 1 -8.552 7.267 -9.008 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.146 7.907 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.139 10.416 -7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -8.628 10.187 -8.534 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.519 9.586 -5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.574 8.087 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -7.834 9.524 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.518 10.234 -10.086 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -9.738 8.635 -10.102 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -11.272 8.868 -9.231 1.00 0.00 H new HETATM 22 N DIL A 2 -6.043 8.422 -7.223 1.00 0.00 N HETATM 23 CA DIL A 2 -4.796 9.159 -7.292 1.00 0.00 C HETATM 24 C DIL A 2 -3.864 8.555 -8.324 1.00 0.00 C HETATM 25 O DIL A 2 -4.152 8.525 -9.520 1.00 0.00 O HETATM 26 CB DIL A 2 -5.027 10.633 -7.633 1.00 0.00 C HETATM 27 CG1 DIL A 2 -3.730 11.430 -7.482 1.00 0.00 C HETATM 28 CG2 DIL A 2 -6.125 11.219 -6.758 1.00 0.00 C HETATM 29 CD1 DIL A 2 -3.521 12.457 -8.573 1.00 0.00 C HETATM 0 HG23 DIL A 2 -7.052 10.670 -6.921 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -5.836 11.140 -5.710 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -6.275 12.268 -7.015 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -3.733 11.934 -6.516 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -2.887 10.739 -7.478 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -3.485 11.957 -9.541 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -4.345 13.171 -8.563 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -2.582 12.984 -8.402 1.00 0.00 H new HETATM 0 HB DIL A 2 -5.348 10.699 -8.673 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.339 9.094 -6.305 1.00 0.00 H new ATOM 41 N GLY A 3 -2.746 8.081 -7.827 1.00 0.00 N ATOM 42 CA GLY A 3 -1.733 7.468 -8.660 1.00 0.00 C ATOM 43 C GLY A 3 -0.491 7.169 -7.853 1.00 0.00 C ATOM 44 O GLY A 3 -0.118 6.008 -7.683 1.00 0.00 O ATOM 0 H GLY A 3 -2.511 8.108 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.121 6.547 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.484 8.132 -9.488 1.00 0.00 H new ATOM 48 N PRO A 4 0.162 8.212 -7.316 1.00 0.00 N ATOM 49 CA PRO A 4 1.353 8.062 -6.496 1.00 0.00 C ATOM 50 C PRO A 4 1.010 7.799 -5.036 1.00 0.00 C ATOM 51 O PRO A 4 1.881 7.457 -4.240 1.00 0.00 O ATOM 52 CB PRO A 4 2.036 9.409 -6.658 1.00 0.00 C ATOM 53 CG PRO A 4 0.906 10.366 -6.766 1.00 0.00 C ATOM 54 CD PRO A 4 -0.221 9.629 -7.450 1.00 0.00 C ATOM 0 HA PRO A 4 1.970 7.214 -6.795 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.675 9.639 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.668 9.433 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.598 10.715 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.197 11.246 -7.339 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.180 9.832 -6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.316 9.922 -8.496 1.00 0.00 H new ATOM 62 N VAL A 5 -0.271 7.935 -4.696 1.00 0.00 N ATOM 63 CA VAL A 5 -0.731 7.686 -3.334 1.00 0.00 C ATOM 64 C VAL A 5 -0.979 6.201 -3.159 1.00 0.00 C ATOM 65 O VAL A 5 -0.696 5.618 -2.113 1.00 0.00 O ATOM 66 CB VAL A 5 -2.026 8.459 -3.019 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.365 8.354 -1.541 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.894 9.915 -3.442 1.00 0.00 C ATOM 0 H VAL A 5 -1.006 8.216 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 5 0.041 8.031 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.842 8.012 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.283 8.906 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.505 7.307 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.551 8.774 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.818 10.446 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.066 10.377 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.703 9.967 -4.514 1.00 0.00 H new ATOM 78 N LEU A 6 -1.491 5.601 -4.224 1.00 0.00 N ATOM 79 CA LEU A 6 -1.776 4.179 -4.260 1.00 0.00 C ATOM 80 C LEU A 6 -0.520 3.381 -3.914 1.00 0.00 C ATOM 81 O LEU A 6 -0.601 2.276 -3.379 1.00 0.00 O ATOM 82 CB LEU A 6 -2.287 3.819 -5.658 1.00 0.00 C ATOM 83 CG LEU A 6 -2.144 2.349 -6.075 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.477 1.627 -5.950 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.616 2.250 -7.498 1.00 0.00 C ATOM 0 H LEU A 6 -1.720 6.091 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.539 3.931 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.341 4.091 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.757 4.434 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.429 1.869 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.356 0.586 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.818 1.670 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.213 2.107 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.520 1.201 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.308 2.746 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.640 2.732 -7.558 1.00 0.00 H new ATOM 97 N GLY A 7 0.638 3.957 -4.220 1.00 0.00 N ATOM 98 CA GLY A 7 1.895 3.299 -3.933 1.00 0.00 C ATOM 99 C GLY A 7 2.272 3.417 -2.471 1.00 0.00 C ATOM 100 O GLY A 7 2.779 2.471 -1.872 1.00 0.00 O ATOM 0 H GLY A 7 0.726 4.871 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.825 2.246 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.682 3.736 -4.548 1.00 0.00 H new ATOM 104 N LEU A 8 2.008 4.587 -1.902 1.00 0.00 N ATOM 105 CA LEU A 8 2.303 4.854 -0.496 1.00 0.00 C ATOM 106 C LEU A 8 1.264 4.197 0.401 1.00 0.00 C ATOM 107 O LEU A 8 1.565 3.747 1.507 1.00 0.00 O ATOM 108 CB LEU A 8 2.316 6.362 -0.224 1.00 0.00 C ATOM 109 CG LEU A 8 2.544 7.243 -1.446 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.525 8.713 -1.058 1.00 0.00 C ATOM 111 CD2 LEU A 8 3.856 6.882 -2.128 1.00 0.00 C ATOM 0 H LEU A 8 1.587 5.373 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 8 3.287 4.439 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.366 6.640 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.095 6.576 0.508 1.00 0.00 H new ATOM 0 HG LEU A 8 1.733 7.067 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.690 9.325 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.558 8.961 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.314 8.908 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.002 7.522 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.681 7.026 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.827 5.839 -2.445 1.00 0.00 H new ATOM 123 N VAL A 9 0.039 4.150 -0.099 1.00 0.00 N ATOM 124 CA VAL A 9 -1.077 3.563 0.620 1.00 0.00 C ATOM 125 C VAL A 9 -0.992 2.050 0.534 1.00 0.00 C ATOM 126 O VAL A 9 -1.022 1.351 1.545 1.00 0.00 O ATOM 127 CB VAL A 9 -2.422 4.094 0.058 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.186 3.034 -0.731 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.285 4.648 1.182 1.00 0.00 C ATOM 0 H VAL A 9 -0.208 4.519 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.029 3.850 1.670 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.182 4.897 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.119 3.458 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.580 2.700 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.405 2.186 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.225 5.017 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.490 3.859 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.759 5.466 1.675 1.00 0.00 H new ATOM 139 N GLY A 10 -0.825 1.560 -0.687 1.00 0.00 N ATOM 140 CA GLY A 10 -0.676 0.142 -0.899 1.00 0.00 C ATOM 141 C GLY A 10 0.633 -0.331 -0.320 1.00 0.00 C ATOM 142 O GLY A 10 0.804 -1.512 -0.021 1.00 0.00 O ATOM 0 H GLY A 10 -0.791 2.126 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.504 -0.393 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.713 -0.081 -1.965 1.00 0.00 H new ATOM 146 N SER A 11 1.562 0.611 -0.137 1.00 0.00 N ATOM 147 CA SER A 11 2.858 0.282 0.439 1.00 0.00 C ATOM 148 C SER A 11 2.664 -0.203 1.868 1.00 0.00 C ATOM 149 O SER A 11 3.147 -1.269 2.250 1.00 0.00 O ATOM 150 CB SER A 11 3.786 1.498 0.420 1.00 0.00 C ATOM 151 OG SER A 11 4.692 1.432 -0.668 1.00 0.00 O ATOM 0 H SER A 11 1.439 1.595 -0.378 1.00 0.00 H new ATOM 0 HA SER A 11 3.319 -0.506 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.194 2.410 0.349 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.341 1.550 1.357 1.00 0.00 H new ATOM 0 HG SER A 11 4.272 1.813 -1.467 1.00 0.00 H new ATOM 157 N ALA A 12 1.933 0.587 2.645 1.00 0.00 N ATOM 158 CA ALA A 12 1.644 0.252 4.028 1.00 0.00 C ATOM 159 C ALA A 12 0.459 -0.704 4.121 1.00 0.00 C ATOM 160 O ALA A 12 0.409 -1.557 5.008 1.00 0.00 O ATOM 161 CB ALA A 12 1.371 1.514 4.831 1.00 0.00 C ATOM 0 H ALA A 12 1.528 1.470 2.335 1.00 0.00 H new ATOM 0 HA ALA A 12 2.517 -0.248 4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.156 1.247 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.246 2.163 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.515 2.038 4.406 1.00 0.00 H new ATOM 167 N LEU A 13 -0.498 -0.557 3.204 1.00 0.00 N ATOM 168 CA LEU A 13 -1.681 -1.414 3.201 1.00 0.00 C ATOM 169 C LEU A 13 -1.338 -2.813 2.717 1.00 0.00 C ATOM 170 O LEU A 13 -1.628 -3.805 3.384 1.00 0.00 O ATOM 171 CB LEU A 13 -2.742 -0.821 2.292 1.00 0.00 C ATOM 172 CG LEU A 13 -4.171 -1.296 2.559 1.00 0.00 C ATOM 173 CD1 LEU A 13 -4.724 -0.639 3.815 1.00 0.00 C ATOM 174 CD2 LEU A 13 -5.064 -0.999 1.362 1.00 0.00 C ATOM 0 H LEU A 13 -0.477 0.141 2.461 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.056 -1.477 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.714 0.264 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.485 -1.057 1.259 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.153 -2.375 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.742 -0.988 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.098 -0.901 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.729 0.444 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.077 -1.344 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.077 0.075 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.678 -1.515 0.483 1.00 0.00 H new ATOM 186 N GLY A 14 -0.694 -2.876 1.561 1.00 0.00 N ATOM 187 CA GLY A 14 -0.287 -4.149 1.006 1.00 0.00 C ATOM 188 C GLY A 14 0.882 -4.719 1.772 1.00 0.00 C ATOM 189 O GLY A 14 1.163 -5.915 1.708 1.00 0.00 O ATOM 0 H GLY A 14 -0.445 -2.064 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.123 -4.848 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.014 -4.023 -0.042 1.00 0.00 H new ATOM 193 N GLY A 15 1.572 -3.842 2.494 1.00 0.00 N ATOM 194 CA GLY A 15 2.725 -4.256 3.272 1.00 0.00 C ATOM 195 C GLY A 15 2.398 -5.343 4.278 1.00 0.00 C ATOM 196 O GLY A 15 3.024 -6.404 4.278 1.00 0.00 O ATOM 0 H GLY A 15 1.352 -2.848 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.503 -4.614 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.132 -3.392 3.797 1.00 0.00 H new ATOM 200 N LEU A 16 1.410 -5.087 5.130 1.00 0.00 N ATOM 201 CA LEU A 16 0.997 -6.053 6.134 1.00 0.00 C ATOM 202 C LEU A 16 0.148 -7.137 5.497 1.00 0.00 C ATOM 203 O LEU A 16 0.104 -8.271 5.973 1.00 0.00 O ATOM 204 CB LEU A 16 0.213 -5.358 7.250 1.00 0.00 C ATOM 205 CG LEU A 16 1.026 -5.026 8.503 1.00 0.00 C ATOM 206 CD1 LEU A 16 1.649 -3.644 8.383 1.00 0.00 C ATOM 207 CD2 LEU A 16 0.150 -5.111 9.744 1.00 0.00 C ATOM 0 H LEU A 16 0.881 -4.215 5.142 1.00 0.00 H new ATOM 0 HA LEU A 16 1.887 -6.510 6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.210 -4.435 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.624 -5.995 7.537 1.00 0.00 H new ATOM 0 HG LEU A 16 1.828 -5.758 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.223 -3.424 9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.309 -3.616 7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.862 -2.899 8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.744 -4.872 10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.673 -4.402 9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.250 -6.121 9.839 1.00 0.00 H new ATOM 219 N LEU A 17 -0.535 -6.772 4.418 1.00 0.00 N ATOM 220 CA LEU A 17 -1.396 -7.703 3.716 1.00 0.00 C ATOM 221 C LEU A 17 -0.581 -8.765 2.984 1.00 0.00 C ATOM 222 O LEU A 17 -0.892 -9.954 3.045 1.00 0.00 O ATOM 223 CB LEU A 17 -2.294 -6.955 2.728 1.00 0.00 C ATOM 224 CG LEU A 17 -3.695 -6.627 3.246 1.00 0.00 C ATOM 225 CD1 LEU A 17 -4.506 -7.899 3.434 1.00 0.00 C ATOM 226 CD2 LEU A 17 -3.610 -5.849 4.551 1.00 0.00 C ATOM 0 H LEU A 17 -0.506 -5.836 4.014 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.020 -8.205 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.801 -6.025 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.389 -7.554 1.822 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.200 -6.005 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.500 -7.646 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.595 -8.418 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.006 -8.546 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.615 -5.623 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.087 -6.447 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.067 -4.919 4.385 1.00 0.00 H new ATOM 238 N LYS A 18 0.461 -8.323 2.287 1.00 0.00 N ATOM 239 CA LYS A 18 1.328 -9.224 1.531 1.00 0.00 C ATOM 240 C LYS A 18 2.424 -9.838 2.406 1.00 0.00 C ATOM 241 O LYS A 18 3.243 -10.611 1.916 1.00 0.00 O ATOM 242 CB LYS A 18 1.957 -8.502 0.340 1.00 0.00 C ATOM 243 CG LYS A 18 2.476 -9.451 -0.731 1.00 0.00 C ATOM 244 CD LYS A 18 1.430 -10.488 -1.118 1.00 0.00 C ATOM 245 CE LYS A 18 1.598 -11.780 -0.329 1.00 0.00 C ATOM 246 NZ LYS A 18 0.538 -12.773 -0.660 1.00 0.00 N ATOM 0 H LYS A 18 0.728 -7.340 2.229 1.00 0.00 H new ATOM 0 HA LYS A 18 0.698 -10.035 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.218 -7.834 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.779 -7.879 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.767 -8.880 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.372 -9.955 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.433 -10.082 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.506 -10.701 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.577 -12.210 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.570 -11.560 0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.687 -13.638 -0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.395 -12.373 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.581 -13.002 -1.674 1.00 0.00 H new ATOM 260 N LYS A 19 2.433 -9.462 3.686 1.00 0.00 N ATOM 261 CA LYS A 19 3.422 -9.925 4.675 1.00 0.00 C ATOM 262 C LYS A 19 4.044 -11.294 4.353 1.00 0.00 C ATOM 263 O LYS A 19 3.840 -12.270 5.072 1.00 0.00 O ATOM 264 CB LYS A 19 2.747 -9.991 6.051 1.00 0.00 C ATOM 265 CG LYS A 19 1.698 -11.099 6.190 1.00 0.00 C ATOM 266 CD LYS A 19 0.636 -11.044 5.094 1.00 0.00 C ATOM 267 CE LYS A 19 0.968 -11.964 3.920 1.00 0.00 C ATOM 268 NZ LYS A 19 0.193 -13.234 3.978 1.00 0.00 N ATOM 0 H LYS A 19 1.745 -8.818 4.076 1.00 0.00 H new ATOM 0 HA LYS A 19 4.242 -9.207 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.514 -10.136 6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.273 -9.031 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.194 -12.069 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.215 -11.016 7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.330 -11.326 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.540 -10.019 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.754 -11.450 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.035 -12.188 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.445 -13.832 3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.416 -13.737 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.825 -13.021 3.949 1.00 0.00 H new ATOM 282 N ILE A 20 4.823 -11.352 3.282 1.00 0.00 N ATOM 283 CA ILE A 20 5.481 -12.591 2.884 1.00 0.00 C ATOM 284 C ILE A 20 6.857 -12.710 3.536 1.00 0.00 C ATOM 285 O ILE A 20 7.777 -11.978 3.114 1.00 0.00 O ATOM 286 CB ILE A 20 5.609 -12.683 1.349 1.00 0.00 C ATOM 287 CG1 ILE A 20 4.373 -13.365 0.762 1.00 0.00 C ATOM 288 CG2 ILE A 20 6.873 -13.427 0.932 1.00 0.00 C ATOM 289 CD1 ILE A 20 4.216 -14.807 1.194 1.00 0.00 C ATOM 290 OXT ILE A 20 7.002 -13.534 4.463 1.00 0.00 O ATOM 0 H ILE A 20 5.015 -10.557 2.673 1.00 0.00 H new ATOM 0 HA ILE A 20 4.861 -13.419 3.227 1.00 0.00 H new ATOM 0 HB ILE A 20 5.681 -11.668 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.485 -12.807 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.427 -13.324 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.927 -13.471 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.748 -12.903 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.849 -14.439 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.319 -15.227 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.087 -15.379 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.129 -14.854 2.280 1.00 0.00 H new TER 302 ILE A 20