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 Set 1.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ILE N :NH3+ 175:sc= -0.0477 (180deg=-0.104) USER MOD Single : A 11 SER OG : rot 101:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -7.607 8.488 -7.170 1.00 0.00 N ATOM 2 CA ILE A 1 -7.571 9.962 -7.364 1.00 0.00 C ATOM 3 C ILE A 1 -6.321 10.579 -6.738 1.00 0.00 C ATOM 4 O ILE A 1 -5.722 11.493 -7.306 1.00 0.00 O ATOM 5 CB ILE A 1 -8.827 10.643 -6.775 1.00 0.00 C ATOM 6 CG1 ILE A 1 -8.829 12.135 -7.113 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.904 10.437 -5.269 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.123 12.833 -6.753 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.507 8.112 -7.531 1.00 0.00 H new ATOM 0 H2 ILE A 1 -6.817 8.051 -7.686 1.00 0.00 H new ATOM 0 H3 ILE A 1 -7.522 8.269 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.549 10.133 -8.440 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.707 10.181 -7.223 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -8.006 12.620 -6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -8.643 12.258 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.797 10.926 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.950 9.370 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.020 10.867 -4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.054 13.888 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -10.948 12.374 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -10.300 12.741 -5.681 1.00 0.00 H new HETATM 22 N DIL A 2 -5.927 10.076 -5.570 1.00 0.00 N HETATM 23 CA DIL A 2 -4.746 10.581 -4.878 1.00 0.00 C HETATM 24 C DIL A 2 -3.530 10.589 -5.802 1.00 0.00 C HETATM 25 O DIL A 2 -2.584 11.347 -5.598 1.00 0.00 O HETATM 26 CB DIL A 2 -4.985 12.002 -4.334 1.00 0.00 C HETATM 27 CG1 DIL A 2 -3.898 12.385 -3.325 1.00 0.00 C HETATM 28 CG2 DIL A 2 -6.361 12.104 -3.690 1.00 0.00 C HETATM 29 CD1 DIL A 2 -3.953 13.837 -2.901 1.00 0.00 C HETATM 0 HG23 DIL A 2 -7.127 11.876 -4.431 1.00 0.00 H new HETATM 0 HG22 DIL A 2 -6.431 11.394 -2.866 1.00 0.00 H new HETATM 0 HG21 DIL A 2 -6.512 13.115 -3.312 1.00 0.00 H new HETATM 0 HG13 DIL A 2 -3.994 11.753 -2.442 1.00 0.00 H new HETATM 0 HG12 DIL A 2 -2.920 12.179 -3.760 1.00 0.00 H new HETATM 0 HD13 DIL A 2 -3.827 14.476 -3.775 1.00 0.00 H new HETATM 0 HD12 DIL A 2 -4.917 14.044 -2.436 1.00 0.00 H new HETATM 0 HD11 DIL A 2 -3.155 14.038 -2.186 1.00 0.00 H new HETATM 0 HB DIL A 2 -4.940 12.698 -5.171 1.00 0.00 H new HETATM 0 HA DIL A 2 -4.552 9.910 -4.041 1.00 0.00 H new ATOM 41 N GLY A 3 -3.559 9.731 -6.816 1.00 0.00 N ATOM 42 CA GLY A 3 -2.453 9.649 -7.751 1.00 0.00 C ATOM 43 C GLY A 3 -1.294 8.842 -7.192 1.00 0.00 C ATOM 44 O GLY A 3 -1.346 7.612 -7.185 1.00 0.00 O ATOM 0 H GLY A 3 -4.330 9.090 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.797 9.194 -8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.110 10.654 -7.996 1.00 0.00 H new ATOM 48 N PRO A 4 -0.223 9.502 -6.712 1.00 0.00 N ATOM 49 CA PRO A 4 0.939 8.815 -6.151 1.00 0.00 C ATOM 50 C PRO A 4 0.685 8.299 -4.735 1.00 0.00 C ATOM 51 O PRO A 4 1.560 7.680 -4.130 1.00 0.00 O ATOM 52 CB PRO A 4 2.037 9.893 -6.136 1.00 0.00 C ATOM 53 CG PRO A 4 1.443 11.101 -6.790 1.00 0.00 C ATOM 54 CD PRO A 4 -0.046 10.957 -6.674 1.00 0.00 C ATOM 0 HA PRO A 4 1.201 7.933 -6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.350 10.116 -5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.923 9.555 -6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.784 12.014 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.747 11.166 -7.835 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.425 11.389 -5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.567 11.452 -7.493 1.00 0.00 H new ATOM 62 N VAL A 5 -0.517 8.538 -4.216 1.00 0.00 N ATOM 63 CA VAL A 5 -0.874 8.075 -2.882 1.00 0.00 C ATOM 64 C VAL A 5 -1.361 6.643 -2.958 1.00 0.00 C ATOM 65 O VAL A 5 -1.044 5.806 -2.113 1.00 0.00 O ATOM 66 CB VAL A 5 -1.968 8.954 -2.248 1.00 0.00 C ATOM 67 CG1 VAL A 5 -2.237 8.524 -0.814 1.00 0.00 C ATOM 68 CG2 VAL A 5 -1.573 10.422 -2.307 1.00 0.00 C ATOM 0 H VAL A 5 -1.257 9.048 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 5 0.016 8.139 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.888 8.825 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.013 9.157 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.568 7.486 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.323 8.621 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.358 11.028 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.640 10.570 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.437 10.721 -3.346 1.00 0.00 H new ATOM 78 N LEU A 6 -2.128 6.380 -4.004 1.00 0.00 N ATOM 79 CA LEU A 6 -2.679 5.062 -4.258 1.00 0.00 C ATOM 80 C LEU A 6 -1.562 4.026 -4.365 1.00 0.00 C ATOM 81 O LEU A 6 -1.610 2.977 -3.724 1.00 0.00 O ATOM 82 CB LEU A 6 -3.497 5.117 -5.549 1.00 0.00 C ATOM 83 CG LEU A 6 -3.782 3.766 -6.219 1.00 0.00 C ATOM 84 CD1 LEU A 6 -5.278 3.565 -6.407 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.060 3.671 -7.555 1.00 0.00 C ATOM 0 H LEU A 6 -2.386 7.078 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.324 4.764 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.449 5.602 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.971 5.751 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.409 2.976 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.459 2.601 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.773 3.588 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.676 4.361 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.273 2.707 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.403 4.471 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.986 3.767 -7.396 1.00 0.00 H new ATOM 97 N GLY A 7 -0.552 4.338 -5.172 1.00 0.00 N ATOM 98 CA GLY A 7 0.570 3.433 -5.342 1.00 0.00 C ATOM 99 C GLY A 7 1.410 3.321 -4.084 1.00 0.00 C ATOM 100 O GLY A 7 2.075 2.311 -3.859 1.00 0.00 O ATOM 0 H GLY A 7 -0.491 5.202 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.200 2.446 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.195 3.782 -6.164 1.00 0.00 H new ATOM 104 N LEU A 8 1.368 4.364 -3.263 1.00 0.00 N ATOM 105 CA LEU A 8 2.107 4.409 -2.015 1.00 0.00 C ATOM 106 C LEU A 8 1.404 3.567 -0.961 1.00 0.00 C ATOM 107 O LEU A 8 2.030 2.873 -0.161 1.00 0.00 O ATOM 108 CB LEU A 8 2.186 5.868 -1.559 1.00 0.00 C ATOM 109 CG LEU A 8 1.792 6.123 -0.111 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.792 5.485 0.844 1.00 0.00 C ATOM 111 CD2 LEU A 8 1.666 7.615 0.155 1.00 0.00 C ATOM 0 H LEU A 8 0.818 5.203 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 8 3.110 4.007 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.206 6.222 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.543 6.467 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 8 0.820 5.662 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.489 5.681 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.822 4.409 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.782 5.908 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.384 7.777 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.621 8.102 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.902 8.038 -0.498 1.00 0.00 H new ATOM 123 N VAL A 9 0.087 3.659 -0.985 1.00 0.00 N ATOM 124 CA VAL A 9 -0.772 2.953 -0.060 1.00 0.00 C ATOM 125 C VAL A 9 -0.881 1.499 -0.474 1.00 0.00 C ATOM 126 O VAL A 9 -0.638 0.594 0.320 1.00 0.00 O ATOM 127 CB VAL A 9 -2.153 3.647 -0.008 1.00 0.00 C ATOM 128 CG1 VAL A 9 -3.235 2.855 -0.737 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.562 3.914 1.432 1.00 0.00 C ATOM 0 H VAL A 9 -0.420 4.234 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.348 2.979 0.944 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.051 4.598 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.184 3.387 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.958 2.740 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.337 1.872 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.536 4.403 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.620 2.970 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.823 4.560 1.906 1.00 0.00 H new ATOM 139 N GLY A 10 -1.191 1.289 -1.747 1.00 0.00 N ATOM 140 CA GLY A 10 -1.267 -0.052 -2.272 1.00 0.00 C ATOM 141 C GLY A 10 0.089 -0.709 -2.196 1.00 0.00 C ATOM 142 O GLY A 10 0.201 -1.935 -2.195 1.00 0.00 O ATOM 0 H GLY A 10 -1.391 2.027 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.995 -0.633 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.612 -0.029 -3.306 1.00 0.00 H new ATOM 146 N SER A 11 1.128 0.125 -2.103 1.00 0.00 N ATOM 147 CA SER A 11 2.489 -0.379 -1.993 1.00 0.00 C ATOM 148 C SER A 11 2.668 -1.060 -0.644 1.00 0.00 C ATOM 149 O SER A 11 3.155 -2.187 -0.559 1.00 0.00 O ATOM 150 CB SER A 11 3.502 0.758 -2.148 1.00 0.00 C ATOM 151 OG SER A 11 4.018 0.806 -3.466 1.00 0.00 O ATOM 0 H SER A 11 1.049 1.142 -2.102 1.00 0.00 H new ATOM 0 HA SER A 11 2.664 -1.100 -2.791 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.026 1.708 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.319 0.621 -1.439 1.00 0.00 H new ATOM 0 HG SER A 11 3.572 1.521 -3.966 1.00 0.00 H new ATOM 157 N ALA A 12 2.250 -0.363 0.408 1.00 0.00 N ATOM 158 CA ALA A 12 2.339 -0.885 1.761 1.00 0.00 C ATOM 159 C ALA A 12 1.162 -1.806 2.072 1.00 0.00 C ATOM 160 O ALA A 12 1.253 -2.668 2.946 1.00 0.00 O ATOM 161 CB ALA A 12 2.396 0.257 2.764 1.00 0.00 C ATOM 0 H ALA A 12 1.844 0.571 0.345 1.00 0.00 H new ATOM 0 HA ALA A 12 3.256 -1.469 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.462 -0.148 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.271 0.875 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.495 0.864 2.676 1.00 0.00 H new ATOM 167 N LEU A 13 0.051 -1.618 1.356 1.00 0.00 N ATOM 168 CA LEU A 13 -1.138 -2.439 1.571 1.00 0.00 C ATOM 169 C LEU A 13 -0.815 -3.913 1.397 1.00 0.00 C ATOM 170 O LEU A 13 -1.087 -4.732 2.275 1.00 0.00 O ATOM 171 CB LEU A 13 -2.220 -2.048 0.581 1.00 0.00 C ATOM 172 CG LEU A 13 -3.656 -2.184 1.092 1.00 0.00 C ATOM 173 CD1 LEU A 13 -3.923 -1.179 2.203 1.00 0.00 C ATOM 174 CD2 LEU A 13 -4.644 -1.996 -0.049 1.00 0.00 C ATOM 0 H LEU A 13 -0.048 -0.910 0.629 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.488 -2.271 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.056 -1.014 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.110 -2.662 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.786 -3.187 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.949 -1.289 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.235 -1.358 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.777 -0.168 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.661 -2.096 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.514 -1.005 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.466 -2.753 -0.813 1.00 0.00 H new ATOM 186 N GLY A 14 -0.202 -4.236 0.266 1.00 0.00 N ATOM 187 CA GLY A 14 0.184 -5.604 0.000 1.00 0.00 C ATOM 188 C GLY A 14 1.342 -6.013 0.878 1.00 0.00 C ATOM 189 O GLY A 14 1.590 -7.199 1.096 1.00 0.00 O ATOM 0 H GLY A 14 0.034 -3.573 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.663 -6.267 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.461 -5.711 -1.049 1.00 0.00 H new ATOM 193 N GLY A 15 2.053 -5.009 1.384 1.00 0.00 N ATOM 194 CA GLY A 15 3.192 -5.260 2.247 1.00 0.00 C ATOM 195 C GLY A 15 2.785 -5.852 3.580 1.00 0.00 C ATOM 196 O GLY A 15 3.542 -6.609 4.188 1.00 0.00 O ATOM 0 H GLY A 15 1.859 -4.023 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.882 -5.939 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.730 -4.327 2.416 1.00 0.00 H new ATOM 200 N LEU A 16 1.576 -5.525 4.027 1.00 0.00 N ATOM 201 CA LEU A 16 1.060 -6.044 5.282 1.00 0.00 C ATOM 202 C LEU A 16 0.604 -7.478 5.085 1.00 0.00 C ATOM 203 O LEU A 16 0.645 -8.293 6.006 1.00 0.00 O ATOM 204 CB LEU A 16 -0.102 -5.179 5.780 1.00 0.00 C ATOM 205 CG LEU A 16 0.233 -4.264 6.962 1.00 0.00 C ATOM 206 CD1 LEU A 16 -0.261 -2.849 6.702 1.00 0.00 C ATOM 207 CD2 LEU A 16 -0.368 -4.811 8.248 1.00 0.00 C ATOM 0 H LEU A 16 0.937 -4.901 3.535 1.00 0.00 H new ATOM 0 HA LEU A 16 1.850 -6.018 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.458 -4.564 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.925 -5.833 6.068 1.00 0.00 H new ATOM 0 HG LEU A 16 1.317 -4.233 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.013 -2.215 7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.218 -2.456 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.342 -2.861 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.120 -4.148 9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.451 -4.873 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.036 -5.804 8.445 1.00 0.00 H new ATOM 219 N LEU A 17 0.171 -7.775 3.864 1.00 0.00 N ATOM 220 CA LEU A 17 -0.295 -9.104 3.526 1.00 0.00 C ATOM 221 C LEU A 17 0.851 -10.109 3.588 1.00 0.00 C ATOM 222 O LEU A 17 0.708 -11.198 4.143 1.00 0.00 O ATOM 223 CB LEU A 17 -0.930 -9.108 2.132 1.00 0.00 C ATOM 224 CG LEU A 17 -2.360 -9.646 2.074 1.00 0.00 C ATOM 225 CD1 LEU A 17 -2.405 -11.095 2.533 1.00 0.00 C ATOM 226 CD2 LEU A 17 -3.286 -8.787 2.922 1.00 0.00 C ATOM 0 H LEU A 17 0.135 -7.107 3.094 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.050 -9.398 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.925 -8.089 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.306 -9.705 1.467 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.702 -9.604 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.431 -11.460 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.773 -11.702 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.044 -11.163 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.300 -9.184 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.945 -8.797 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.277 -7.763 2.547 1.00 0.00 H new ATOM 238 N LYS A 18 1.989 -9.728 3.016 1.00 0.00 N ATOM 239 CA LYS A 18 3.168 -10.587 3.002 1.00 0.00 C ATOM 240 C LYS A 18 3.782 -10.696 4.382 1.00 0.00 C ATOM 241 O LYS A 18 4.227 -11.771 4.785 1.00 0.00 O ATOM 242 CB LYS A 18 4.209 -10.054 2.017 1.00 0.00 C ATOM 243 CG LYS A 18 5.437 -10.944 1.890 1.00 0.00 C ATOM 244 CD LYS A 18 6.440 -10.685 3.008 1.00 0.00 C ATOM 245 CE LYS A 18 6.779 -11.960 3.771 1.00 0.00 C ATOM 246 NZ LYS A 18 8.247 -12.207 3.810 1.00 0.00 N ATOM 0 H LYS A 18 2.120 -8.828 2.555 1.00 0.00 H new ATOM 0 HA LYS A 18 2.849 -11.580 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.747 -9.944 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.522 -9.059 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.132 -11.990 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.914 -10.770 0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.351 -10.260 2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.032 -9.946 3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.395 -11.888 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.280 -12.808 3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.438 -13.083 4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.609 -12.301 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.721 -11.410 4.280 1.00 0.00 H new ATOM 260 N LYS A 19 3.828 -9.586 5.101 1.00 0.00 N ATOM 261 CA LYS A 19 4.424 -9.594 6.418 1.00 0.00 C ATOM 262 C LYS A 19 3.623 -10.426 7.403 1.00 0.00 C ATOM 263 O LYS A 19 2.394 -10.365 7.444 1.00 0.00 O ATOM 264 CB LYS A 19 4.639 -8.178 6.947 1.00 0.00 C ATOM 265 CG LYS A 19 6.005 -7.985 7.593 1.00 0.00 C ATOM 266 CD LYS A 19 7.136 -8.414 6.663 1.00 0.00 C ATOM 267 CE LYS A 19 7.402 -9.915 6.739 1.00 0.00 C ATOM 268 NZ LYS A 19 8.833 -10.213 7.021 1.00 0.00 N ATOM 0 H LYS A 19 3.464 -8.683 4.797 1.00 0.00 H new ATOM 0 HA LYS A 19 5.402 -10.065 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.528 -7.469 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.862 -7.947 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.134 -6.937 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.055 -8.561 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.885 -8.142 5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.045 -7.871 6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.779 -10.355 7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.113 -10.383 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.971 -11.243 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.426 -9.816 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.103 -9.789 7.931 1.00 0.00 H new ATOM 282 N ILE A 20 4.346 -11.220 8.184 1.00 0.00 N ATOM 283 CA ILE A 20 3.739 -12.092 9.167 1.00 0.00 C ATOM 284 C ILE A 20 3.084 -11.298 10.291 1.00 0.00 C ATOM 285 O ILE A 20 3.593 -10.206 10.618 1.00 0.00 O ATOM 286 CB ILE A 20 4.769 -13.061 9.764 1.00 0.00 C ATOM 287 CG1 ILE A 20 5.654 -13.656 8.661 1.00 0.00 C ATOM 288 CG2 ILE A 20 4.070 -14.162 10.548 1.00 0.00 C ATOM 289 CD1 ILE A 20 7.131 -13.400 8.869 1.00 0.00 C ATOM 290 OXT ILE A 20 2.066 -11.775 10.836 1.00 0.00 O ATOM 0 H ILE A 20 5.364 -11.273 8.150 1.00 0.00 H new ATOM 0 HA ILE A 20 2.971 -12.664 8.647 1.00 0.00 H new ATOM 0 HB ILE A 20 5.409 -12.506 10.449 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.483 -14.731 8.610 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.353 -13.239 7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.814 -14.841 10.965 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.489 -13.720 11.357 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.406 -14.715 9.884 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.697 -13.848 8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.315 -12.326 8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.447 -13.841 9.814 1.00 0.00 H new TER 302 ILE A 20