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+ 177:sc= -0.232 (180deg=-0.27) 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 -8.261 7.184 -7.189 1.00 0.00 N ATOM 2 CA ILE A 1 -8.175 8.180 -8.288 1.00 0.00 C ATOM 3 C ILE A 1 -6.832 8.905 -8.274 1.00 0.00 C ATOM 4 O ILE A 1 -6.363 9.377 -9.308 1.00 0.00 O ATOM 5 CB ILE A 1 -9.314 9.218 -8.194 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.259 10.183 -9.381 1.00 0.00 C ATOM 7 CG2 ILE A 1 -9.238 9.983 -6.879 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.622 10.552 -9.923 1.00 0.00 C ATOM 0 H1 ILE A 1 -9.203 6.743 -7.193 1.00 0.00 H new ATOM 0 H2 ILE A 1 -7.536 6.451 -7.327 1.00 0.00 H new ATOM 0 H3 ILE A 1 -8.104 7.659 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 1 -8.272 7.629 -9.223 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.265 8.686 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -8.740 11.092 -9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -8.670 9.731 -10.179 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -10.050 10.709 -6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -9.328 9.285 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.282 10.503 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.506 11.238 -10.762 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -11.136 9.651 -10.259 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -11.207 11.033 -9.139 1.00 0.00 H new HETATM 22 N DIL A 2 -6.220 8.986 -7.092 1.00 0.00 N HETATM 23 CA DIL A 2 -4.927 9.646 -6.918 1.00 0.00 C HETATM 24 C DIL A 2 -3.939 9.253 -8.002 1.00 0.00 C HETATM 25 O DIL A 2 -3.998 9.718 -9.140 1.00 0.00 O HETATM 26 CB DIL A 2 -5.052 11.181 -6.846 1.00 0.00 C HETATM 27 CG1 DIL A 2 -6.021 11.709 -7.907 1.00 0.00 C HETATM 28 CG2 DIL A 2 -3.688 11.848 -6.985 1.00 0.00 C HETATM 29 CD1 DIL A 2 -6.168 13.215 -7.896 1.00 0.00 C HETATM 0 HG23 DIL A 2 -3.035 11.513 -6.179 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -3.247 11.578 -7.945 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -3.805 12.930 -6.931 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -5.676 11.393 -8.892 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -7.000 11.255 -7.751 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -6.542 13.537 -6.924 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -5.198 13.677 -8.082 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -6.869 13.518 -8.674 1.00 0.00 H new HETATM 0 HB DIL A 2 -5.456 11.433 -5.866 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.543 9.298 -5.959 1.00 0.00 H new HETATM 0 H2 DIL A 2 -6.976 9.163 -6.430 1.00 0.00 H new ATOM 41 N GLY A 3 -3.023 8.400 -7.603 1.00 0.00 N ATOM 42 CA GLY A 3 -1.985 7.921 -8.493 1.00 0.00 C ATOM 43 C GLY A 3 -0.722 7.597 -7.726 1.00 0.00 C ATOM 44 O GLY A 3 -0.338 6.433 -7.617 1.00 0.00 O ATOM 0 H GLY A 3 -2.975 8.019 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.333 7.032 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.772 8.676 -9.249 1.00 0.00 H new ATOM 48 N PRO A 4 -0.059 8.619 -7.162 1.00 0.00 N ATOM 49 CA PRO A 4 1.154 8.443 -6.381 1.00 0.00 C ATOM 50 C PRO A 4 0.845 8.063 -4.938 1.00 0.00 C ATOM 51 O PRO A 4 1.734 7.659 -4.192 1.00 0.00 O ATOM 52 CB PRO A 4 1.836 9.820 -6.445 1.00 0.00 C ATOM 53 CG PRO A 4 0.893 10.724 -7.185 1.00 0.00 C ATOM 54 CD PRO A 4 -0.440 10.029 -7.223 1.00 0.00 C ATOM 0 HA PRO A 4 1.778 7.637 -6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.035 10.202 -5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.795 9.755 -6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.811 11.689 -6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.256 10.918 -8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.072 10.316 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.994 10.261 -8.133 1.00 0.00 H new ATOM 62 N VAL A 5 -0.428 8.169 -4.561 1.00 0.00 N ATOM 63 CA VAL A 5 -0.862 7.811 -3.215 1.00 0.00 C ATOM 64 C VAL A 5 -1.113 6.318 -3.157 1.00 0.00 C ATOM 65 O VAL A 5 -0.802 5.648 -2.172 1.00 0.00 O ATOM 66 CB VAL A 5 -2.147 8.560 -2.812 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.503 8.268 -1.362 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.987 10.056 -3.039 1.00 0.00 C ATOM 0 H VAL A 5 -1.176 8.500 -5.170 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.075 8.096 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.964 8.206 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.413 8.805 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.664 7.197 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.688 8.592 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.904 10.568 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.158 10.429 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.784 10.244 -4.093 1.00 0.00 H new ATOM 78 N LEU A 6 -1.664 5.810 -4.250 1.00 0.00 N ATOM 79 CA LEU A 6 -1.959 4.400 -4.396 1.00 0.00 C ATOM 80 C LEU A 6 -0.703 3.566 -4.157 1.00 0.00 C ATOM 81 O LEU A 6 -0.779 2.419 -3.716 1.00 0.00 O ATOM 82 CB LEU A 6 -2.510 4.161 -5.803 1.00 0.00 C ATOM 83 CG LEU A 6 -2.406 2.728 -6.326 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.311 1.804 -5.527 1.00 0.00 C ATOM 85 CD2 LEU A 6 -2.759 2.681 -7.804 1.00 0.00 C ATOM 0 H LEU A 6 -1.919 6.371 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.702 4.098 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.559 4.457 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.984 4.819 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.378 2.385 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.225 0.788 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.014 1.821 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.344 2.140 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.681 1.655 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.779 3.039 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.071 3.315 -8.363 1.00 0.00 H new ATOM 97 N GLY A 7 0.452 4.159 -4.445 1.00 0.00 N ATOM 98 CA GLY A 7 1.711 3.469 -4.252 1.00 0.00 C ATOM 99 C GLY A 7 2.139 3.477 -2.800 1.00 0.00 C ATOM 100 O GLY A 7 2.677 2.494 -2.295 1.00 0.00 O ATOM 0 H GLY A 7 0.536 5.108 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.618 2.440 -4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.482 3.942 -4.861 1.00 0.00 H new ATOM 104 N LEU A 8 1.886 4.595 -2.131 1.00 0.00 N ATOM 105 CA LEU A 8 2.230 4.754 -0.719 1.00 0.00 C ATOM 106 C LEU A 8 1.231 4.012 0.158 1.00 0.00 C ATOM 107 O LEU A 8 1.572 3.499 1.224 1.00 0.00 O ATOM 108 CB LEU A 8 2.234 6.235 -0.324 1.00 0.00 C ATOM 109 CG LEU A 8 2.386 7.221 -1.476 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.322 8.653 -0.967 1.00 0.00 C ATOM 111 CD2 LEU A 8 3.685 6.974 -2.227 1.00 0.00 C ATOM 0 H LEU A 8 1.440 5.413 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 8 3.227 4.339 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.304 6.456 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.046 6.402 0.384 1.00 0.00 H new ATOM 0 HG LEU A 8 1.559 7.068 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.432 9.342 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.361 8.824 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.126 8.821 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.774 7.689 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.528 7.095 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.686 5.961 -2.629 1.00 0.00 H new ATOM 123 N VAL A 9 -0.005 3.967 -0.313 1.00 0.00 N ATOM 124 CA VAL A 9 -1.088 3.308 0.394 1.00 0.00 C ATOM 125 C VAL A 9 -0.972 1.807 0.207 1.00 0.00 C ATOM 126 O VAL A 9 -0.957 1.045 1.171 1.00 0.00 O ATOM 127 CB VAL A 9 -2.458 3.842 -0.098 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.202 2.833 -0.969 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.318 4.265 1.083 1.00 0.00 C ATOM 0 H VAL A 9 -0.285 4.388 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.018 3.527 1.459 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.256 4.711 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.154 3.258 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.600 2.596 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.383 1.923 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.276 4.637 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.485 3.409 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.810 5.052 1.640 1.00 0.00 H new ATOM 139 N GLY A 10 -0.833 1.399 -1.046 1.00 0.00 N ATOM 140 CA GLY A 10 -0.662 0.001 -1.352 1.00 0.00 C ATOM 141 C GLY A 10 0.668 -0.483 -0.829 1.00 0.00 C ATOM 142 O GLY A 10 0.865 -1.678 -0.611 1.00 0.00 O ATOM 0 H GLY A 10 -0.836 2.018 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.470 -0.579 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.716 -0.153 -2.430 1.00 0.00 H new ATOM 146 N SER A 11 1.582 0.464 -0.605 1.00 0.00 N ATOM 147 CA SER A 11 2.897 0.128 -0.077 1.00 0.00 C ATOM 148 C SER A 11 2.761 -0.318 1.370 1.00 0.00 C ATOM 149 O SER A 11 3.319 -1.337 1.778 1.00 0.00 O ATOM 150 CB SER A 11 3.842 1.329 -0.171 1.00 0.00 C ATOM 151 OG SER A 11 4.916 1.210 0.746 1.00 0.00 O ATOM 0 H SER A 11 1.434 1.458 -0.780 1.00 0.00 H new ATOM 0 HA SER A 11 3.319 -0.683 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.234 1.408 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.289 2.247 0.030 1.00 0.00 H new ATOM 0 HG SER A 11 5.504 1.989 0.664 1.00 0.00 H new ATOM 157 N ALA A 12 1.997 0.452 2.137 1.00 0.00 N ATOM 158 CA ALA A 12 1.760 0.147 3.537 1.00 0.00 C ATOM 159 C ALA A 12 0.647 -0.884 3.688 1.00 0.00 C ATOM 160 O ALA A 12 0.666 -1.698 4.611 1.00 0.00 O ATOM 161 CB ALA A 12 1.415 1.416 4.303 1.00 0.00 C ATOM 0 H ALA A 12 1.530 1.297 1.807 1.00 0.00 H new ATOM 0 HA ALA A 12 2.674 -0.276 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.240 1.172 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.242 2.122 4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.516 1.864 3.879 1.00 0.00 H new ATOM 167 N LEU A 13 -0.325 -0.848 2.776 1.00 0.00 N ATOM 168 CA LEU A 13 -1.442 -1.787 2.824 1.00 0.00 C ATOM 169 C LEU A 13 -0.999 -3.178 2.401 1.00 0.00 C ATOM 170 O LEU A 13 -1.208 -4.156 3.117 1.00 0.00 O ATOM 171 CB LEU A 13 -2.553 -1.321 1.901 1.00 0.00 C ATOM 172 CG LEU A 13 -3.595 -0.399 2.540 1.00 0.00 C ATOM 173 CD1 LEU A 13 -2.946 0.884 3.036 1.00 0.00 C ATOM 174 CD2 LEU A 13 -4.707 -0.087 1.551 1.00 0.00 C ATOM 0 H LEU A 13 -0.361 -0.184 2.002 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.805 -1.826 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.105 -0.802 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.064 -2.198 1.504 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.029 -0.915 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.704 1.525 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.186 0.643 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.482 1.405 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.439 0.569 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.287 0.407 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.194 -1.014 1.246 1.00 0.00 H new ATOM 186 N GLY A 14 -0.361 -3.251 1.240 1.00 0.00 N ATOM 187 CA GLY A 14 0.129 -4.521 0.746 1.00 0.00 C ATOM 188 C GLY A 14 1.276 -5.022 1.589 1.00 0.00 C ATOM 189 O GLY A 14 1.595 -6.211 1.587 1.00 0.00 O ATOM 0 H GLY A 14 -0.175 -2.453 0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.678 -5.253 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.454 -4.412 -0.289 1.00 0.00 H new ATOM 193 N GLY A 15 1.899 -4.096 2.311 1.00 0.00 N ATOM 194 CA GLY A 15 3.020 -4.445 3.163 1.00 0.00 C ATOM 195 C GLY A 15 2.635 -5.411 4.266 1.00 0.00 C ATOM 196 O GLY A 15 3.208 -6.495 4.377 1.00 0.00 O ATOM 0 H GLY A 15 1.646 -3.108 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.809 -4.889 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.431 -3.538 3.606 1.00 0.00 H new ATOM 200 N LEU A 16 1.653 -5.025 5.075 1.00 0.00 N ATOM 201 CA LEU A 16 1.184 -5.867 6.162 1.00 0.00 C ATOM 202 C LEU A 16 0.288 -6.966 5.618 1.00 0.00 C ATOM 203 O LEU A 16 0.157 -8.032 6.218 1.00 0.00 O ATOM 204 CB LEU A 16 0.427 -5.030 7.196 1.00 0.00 C ATOM 205 CG LEU A 16 1.199 -4.740 8.484 1.00 0.00 C ATOM 206 CD1 LEU A 16 2.119 -3.544 8.297 1.00 0.00 C ATOM 207 CD2 LEU A 16 0.238 -4.501 9.639 1.00 0.00 C ATOM 0 H LEU A 16 1.168 -4.131 4.995 1.00 0.00 H new ATOM 0 HA LEU A 16 2.046 -6.323 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.145 -4.082 6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.498 -5.547 7.453 1.00 0.00 H new ATOM 0 HG LEU A 16 1.812 -5.610 8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.660 -3.353 9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.830 -3.754 7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.527 -2.667 8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.805 -4.296 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.401 -3.648 9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.379 -5.387 9.788 1.00 0.00 H new ATOM 219 N LEU A 17 -0.332 -6.691 4.475 1.00 0.00 N ATOM 220 CA LEU A 17 -1.224 -7.648 3.849 1.00 0.00 C ATOM 221 C LEU A 17 -0.445 -8.828 3.275 1.00 0.00 C ATOM 222 O LEU A 17 -0.851 -9.981 3.417 1.00 0.00 O ATOM 223 CB LEU A 17 -2.043 -6.973 2.746 1.00 0.00 C ATOM 224 CG LEU A 17 -3.257 -7.768 2.258 1.00 0.00 C ATOM 225 CD1 LEU A 17 -2.815 -8.991 1.471 1.00 0.00 C ATOM 226 CD2 LEU A 17 -4.134 -8.176 3.433 1.00 0.00 C ATOM 0 H LEU A 17 -0.230 -5.812 3.967 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.903 -8.025 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.385 -6.004 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.389 -6.780 1.896 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.843 -7.129 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.692 -9.543 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.229 -8.676 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.206 -9.633 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.992 -8.740 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.557 -8.796 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.481 -7.284 3.955 1.00 0.00 H new ATOM 238 N LYS A 18 0.673 -8.528 2.622 1.00 0.00 N ATOM 239 CA LYS A 18 1.514 -9.559 2.019 1.00 0.00 C ATOM 240 C LYS A 18 2.491 -10.167 3.028 1.00 0.00 C ATOM 241 O LYS A 18 3.270 -11.049 2.679 1.00 0.00 O ATOM 242 CB LYS A 18 2.283 -9.002 0.820 1.00 0.00 C ATOM 243 CG LYS A 18 2.800 -10.082 -0.119 1.00 0.00 C ATOM 244 CD LYS A 18 1.717 -11.100 -0.456 1.00 0.00 C ATOM 245 CE LYS A 18 1.770 -12.306 0.473 1.00 0.00 C ATOM 246 NZ LYS A 18 0.759 -13.335 0.102 1.00 0.00 N ATOM 0 H LYS A 18 1.019 -7.577 2.496 1.00 0.00 H new ATOM 0 HA LYS A 18 0.848 -10.352 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.634 -8.327 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.125 -8.410 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.166 -9.622 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.647 -10.590 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.738 -10.627 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.836 -11.430 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.766 -12.747 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.599 -11.982 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.826 -14.140 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.194 -12.922 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.938 -13.663 -0.869 1.00 0.00 H new ATOM 260 N LYS A 19 2.446 -9.664 4.264 1.00 0.00 N ATOM 261 CA LYS A 19 3.318 -10.101 5.367 1.00 0.00 C ATOM 262 C LYS A 19 3.824 -11.547 5.238 1.00 0.00 C ATOM 263 O LYS A 19 3.509 -12.405 6.062 1.00 0.00 O ATOM 264 CB LYS A 19 2.553 -9.950 6.688 1.00 0.00 C ATOM 265 CG LYS A 19 1.403 -10.945 6.871 1.00 0.00 C ATOM 266 CD LYS A 19 0.421 -10.929 5.702 1.00 0.00 C ATOM 267 CE LYS A 19 0.732 -12.013 4.671 1.00 0.00 C ATOM 268 NZ LYS A 19 -0.229 -13.148 4.758 1.00 0.00 N ATOM 0 H LYS A 19 1.793 -8.929 4.535 1.00 0.00 H new ATOM 0 HA LYS A 19 4.204 -9.467 5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.254 -10.067 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.154 -8.937 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.811 -11.949 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.869 -10.712 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.592 -11.069 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.450 -9.952 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.698 -11.583 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.746 -12.382 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.014 -13.864 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.179 -13.574 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.194 -12.800 4.586 1.00 0.00 H new ATOM 282 N ILE A 20 4.629 -11.808 4.219 1.00 0.00 N ATOM 283 CA ILE A 20 5.183 -13.141 4.007 1.00 0.00 C ATOM 284 C ILE A 20 6.521 -13.295 4.729 1.00 0.00 C ATOM 285 O ILE A 20 6.605 -14.143 5.642 1.00 0.00 O ATOM 286 CB ILE A 20 5.349 -13.444 2.502 1.00 0.00 C ATOM 287 CG1 ILE A 20 4.105 -14.158 1.974 1.00 0.00 C ATOM 288 CG2 ILE A 20 6.596 -14.278 2.230 1.00 0.00 C ATOM 289 CD1 ILE A 20 3.864 -15.506 2.617 1.00 0.00 C ATOM 290 OXT ILE A 20 7.471 -12.566 4.374 1.00 0.00 O ATOM 0 H ILE A 20 4.914 -11.117 3.525 1.00 0.00 H new ATOM 0 HA ILE A 20 4.479 -13.861 4.424 1.00 0.00 H new ATOM 0 HB ILE A 20 5.469 -12.495 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.234 -13.524 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.202 -14.290 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.679 -14.471 1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.478 -13.735 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.524 -15.225 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.965 -15.955 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.718 -16.157 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.735 -15.379 3.692 1.00 0.00 H new TER 302 ILE A 20