USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 155 hydrogens (0 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 Single : A 4 SER OG : rot 28:sc= 0.589 USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -0.393 (180deg=-1.76) USER MOD ----------------------------------------------------------------- ATOM 36 N SER A 4 -12.137 2.273 -0.915 1.00 0.00 N ATOM 37 CA SER A 4 -11.957 2.720 0.461 1.00 0.00 C ATOM 38 C SER A 4 -10.712 2.074 1.046 1.00 0.00 C ATOM 39 O SER A 4 -9.990 2.673 1.842 1.00 0.00 O ATOM 40 CB SER A 4 -13.183 2.367 1.305 1.00 0.00 C ATOM 41 OG SER A 4 -14.357 2.337 0.512 1.00 0.00 O ATOM 0 HA SER A 4 -11.838 3.803 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.035 1.396 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.300 3.097 2.106 1.00 0.00 H new ATOM 0 HG SER A 4 -14.122 2.108 -0.411 1.00 0.00 H new ATOM 47 N VAL A 5 -10.475 0.839 0.624 1.00 0.00 N ATOM 48 CA VAL A 5 -9.327 0.068 1.068 1.00 0.00 C ATOM 49 C VAL A 5 -8.078 0.492 0.322 1.00 0.00 C ATOM 50 O VAL A 5 -6.971 0.411 0.849 1.00 0.00 O ATOM 51 CB VAL A 5 -9.532 -1.418 0.795 1.00 0.00 C ATOM 52 CG1 VAL A 5 -8.493 -2.250 1.532 1.00 0.00 C ATOM 53 CG2 VAL A 5 -10.944 -1.855 1.157 1.00 0.00 C ATOM 0 H VAL A 5 -11.075 0.345 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.217 0.247 2.137 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.401 -1.585 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.658 -3.307 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.495 -1.966 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.580 -2.074 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.060 -2.919 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.122 -1.669 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.663 -1.291 0.563 1.00 0.00 H new ATOM 63 N PHE A 6 -8.270 0.942 -0.919 1.00 0.00 N ATOM 64 CA PHE A 6 -7.165 1.388 -1.762 1.00 0.00 C ATOM 65 C PHE A 6 -6.173 2.226 -0.956 1.00 0.00 C ATOM 66 O PHE A 6 -4.990 2.302 -1.288 1.00 0.00 O ATOM 67 CB PHE A 6 -7.710 2.180 -2.962 1.00 0.00 C ATOM 68 CG PHE A 6 -7.500 3.669 -2.879 1.00 0.00 C ATOM 69 CD1 PHE A 6 -6.773 4.334 -3.854 1.00 0.00 C ATOM 70 CD2 PHE A 6 -8.030 4.401 -1.828 1.00 0.00 C ATOM 71 CE1 PHE A 6 -6.579 5.700 -3.782 1.00 0.00 C ATOM 72 CE2 PHE A 6 -7.839 5.767 -1.751 1.00 0.00 C ATOM 73 CZ PHE A 6 -7.112 6.417 -2.729 1.00 0.00 C ATOM 0 H PHE A 6 -9.186 1.006 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.632 0.514 -2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -7.235 1.810 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.778 1.982 -3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.353 3.778 -4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.599 3.898 -1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.011 6.207 -4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.258 6.326 -0.927 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.961 7.485 -2.670 1.00 0.00 H new ATOM 83 N GLY A 7 -6.671 2.838 0.113 1.00 0.00 N ATOM 84 CA GLY A 7 -5.822 3.648 0.966 1.00 0.00 C ATOM 85 C GLY A 7 -4.780 2.808 1.675 1.00 0.00 C ATOM 86 O GLY A 7 -3.631 3.224 1.829 1.00 0.00 O ATOM 0 H GLY A 7 -7.647 2.787 0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.328 4.413 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.435 4.167 1.703 1.00 0.00 H new ATOM 90 N ARG A 8 -5.187 1.616 2.097 1.00 0.00 N ATOM 91 CA ARG A 8 -4.291 0.696 2.783 1.00 0.00 C ATOM 92 C ARG A 8 -3.425 -0.053 1.776 1.00 0.00 C ATOM 93 O ARG A 8 -2.201 -0.078 1.897 1.00 0.00 O ATOM 94 CB ARG A 8 -5.092 -0.299 3.626 1.00 0.00 C ATOM 95 CG ARG A 8 -5.257 0.127 5.076 1.00 0.00 C ATOM 96 CD ARG A 8 -6.634 0.719 5.329 1.00 0.00 C ATOM 97 NE ARG A 8 -6.626 2.177 5.244 1.00 0.00 N ATOM 98 CZ ARG A 8 -7.706 2.936 5.414 1.00 0.00 C ATOM 99 NH1 ARG A 8 -8.882 2.379 5.677 1.00 0.00 N ATOM 100 NH2 ARG A 8 -7.611 4.255 5.321 1.00 0.00 N ATOM 0 H ARG A 8 -6.137 1.264 1.975 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.643 1.274 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.078 -0.429 3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.597 -1.270 3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.104 -0.732 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.492 0.861 5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.341 0.317 4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.984 0.415 6.316 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.740 2.641 5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.961 1.365 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.707 2.965 5.806 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.710 4.688 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.439 4.836 5.451 1.00 0.00 H new ATOM 114 N LEU A 9 -4.067 -0.659 0.778 1.00 0.00 N ATOM 115 CA LEU A 9 -3.346 -1.404 -0.252 1.00 0.00 C ATOM 116 C LEU A 9 -2.233 -0.552 -0.863 1.00 0.00 C ATOM 117 O LEU A 9 -1.147 -1.048 -1.154 1.00 0.00 O ATOM 118 CB LEU A 9 -4.310 -1.864 -1.349 1.00 0.00 C ATOM 119 CG LEU A 9 -4.990 -3.211 -1.092 1.00 0.00 C ATOM 120 CD1 LEU A 9 -6.301 -3.011 -0.348 1.00 0.00 C ATOM 121 CD2 LEU A 9 -5.227 -3.948 -2.402 1.00 0.00 C ATOM 0 H LEU A 9 -5.080 -0.649 0.661 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.895 -2.279 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.081 -1.104 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.763 -1.924 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.330 -3.817 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.772 -3.979 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.106 -2.524 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.966 -2.386 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.711 -4.903 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.867 -3.346 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.273 -4.123 -2.899 1.00 0.00 H new ATOM 133 N ALA A 10 -2.519 0.733 -1.046 1.00 0.00 N ATOM 134 CA ALA A 10 -1.558 1.675 -1.619 1.00 0.00 C ATOM 135 C ALA A 10 -0.201 1.614 -0.917 1.00 0.00 C ATOM 136 O ALA A 10 0.813 2.034 -1.474 1.00 0.00 O ATOM 137 CB ALA A 10 -2.115 3.089 -1.555 1.00 0.00 C ATOM 0 H ALA A 10 -3.417 1.151 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.400 1.389 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.393 3.784 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.046 3.139 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.305 3.358 -0.516 1.00 0.00 H new ATOM 143 N ARG A 11 -0.189 1.108 0.311 1.00 0.00 N ATOM 144 CA ARG A 11 1.034 1.013 1.087 1.00 0.00 C ATOM 145 C ARG A 11 1.760 -0.302 0.829 1.00 0.00 C ATOM 146 O ARG A 11 2.981 -0.317 0.713 1.00 0.00 O ATOM 147 CB ARG A 11 0.736 1.183 2.584 1.00 0.00 C ATOM 148 CG ARG A 11 0.264 -0.085 3.282 1.00 0.00 C ATOM 149 CD ARG A 11 -0.706 0.228 4.410 1.00 0.00 C ATOM 150 NE ARG A 11 -0.182 1.246 5.318 1.00 0.00 N ATOM 151 CZ ARG A 11 -0.633 1.439 6.555 1.00 0.00 C ATOM 152 NH1 ARG A 11 -1.616 0.688 7.036 1.00 0.00 N ATOM 153 NH2 ARG A 11 -0.099 2.386 7.314 1.00 0.00 N ATOM 0 H ARG A 11 -1.019 0.757 0.789 1.00 0.00 H new ATOM 0 HA ARG A 11 1.693 1.821 0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.636 1.543 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.025 1.954 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.218 -0.742 2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.124 -0.624 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.652 0.570 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.917 -0.683 4.970 1.00 0.00 H new ATOM 0 HE ARG A 11 0.574 1.844 4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.030 -0.042 6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.957 0.841 7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.657 2.966 6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.444 2.535 8.262 1.00 0.00 H new ATOM 167 N ILE A 12 1.022 -1.408 0.740 1.00 0.00 N ATOM 168 CA ILE A 12 1.656 -2.701 0.502 1.00 0.00 C ATOM 169 C ILE A 12 2.526 -2.655 -0.744 1.00 0.00 C ATOM 170 O ILE A 12 3.598 -3.258 -0.786 1.00 0.00 O ATOM 171 CB ILE A 12 0.646 -3.852 0.371 1.00 0.00 C ATOM 172 CG1 ILE A 12 -0.343 -3.599 -0.769 1.00 0.00 C ATOM 173 CG2 ILE A 12 -0.094 -4.060 1.684 1.00 0.00 C ATOM 174 CD1 ILE A 12 -0.731 -4.854 -1.519 1.00 0.00 C ATOM 0 H ILE A 12 0.006 -1.435 0.827 1.00 0.00 H new ATOM 0 HA ILE A 12 2.271 -2.899 1.380 1.00 0.00 H new ATOM 0 HB ILE A 12 1.201 -4.760 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.242 -3.135 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.095 -2.888 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.806 -4.878 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.621 -4.303 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.628 -3.148 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.434 -4.601 -2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.159 -5.308 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.199 -5.559 -0.831 1.00 0.00 H new ATOM 186 N LEU A 13 2.081 -1.901 -1.741 1.00 0.00 N ATOM 187 CA LEU A 13 2.858 -1.748 -2.965 1.00 0.00 C ATOM 188 C LEU A 13 4.134 -1.004 -2.627 1.00 0.00 C ATOM 189 O LEU A 13 5.164 -1.173 -3.278 1.00 0.00 O ATOM 190 CB LEU A 13 2.084 -0.998 -4.057 1.00 0.00 C ATOM 191 CG LEU A 13 0.940 -0.110 -3.569 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.916 1.203 -4.337 1.00 0.00 C ATOM 193 CD2 LEU A 13 -0.386 -0.841 -3.713 1.00 0.00 C ATOM 0 H LEU A 13 1.197 -1.391 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 13 3.079 -2.739 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.787 -0.379 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.679 -1.729 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 13 1.099 0.118 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.095 1.821 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.859 1.729 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.777 1.001 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.195 -0.200 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.551 -1.093 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.364 -1.755 -3.119 1.00 0.00 H new ATOM 205 N GLY A 14 4.056 -0.196 -1.573 1.00 0.00 N ATOM 206 CA GLY A 14 5.213 0.542 -1.124 1.00 0.00 C ATOM 207 C GLY A 14 5.961 -0.204 -0.032 1.00 0.00 C ATOM 208 O GLY A 14 7.113 0.100 0.247 1.00 0.00 O ATOM 0 H GLY A 14 3.210 -0.042 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.881 0.721 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.901 1.518 -0.751 1.00 0.00 H new ATOM 212 N ARG A 15 5.294 -1.187 0.580 1.00 0.00 N ATOM 213 CA ARG A 15 5.889 -1.998 1.649 1.00 0.00 C ATOM 214 C ARG A 15 6.360 -3.343 1.107 1.00 0.00 C ATOM 215 O ARG A 15 6.436 -4.330 1.840 1.00 0.00 O ATOM 216 CB ARG A 15 4.883 -2.217 2.781 1.00 0.00 C ATOM 217 CG ARG A 15 4.785 -1.043 3.739 1.00 0.00 C ATOM 218 CD ARG A 15 3.900 0.055 3.175 1.00 0.00 C ATOM 219 NE ARG A 15 3.708 1.148 4.125 1.00 0.00 N ATOM 220 CZ ARG A 15 4.619 2.088 4.369 1.00 0.00 C ATOM 221 NH1 ARG A 15 5.786 2.072 3.737 1.00 0.00 N ATOM 222 NH2 ARG A 15 4.361 3.048 5.248 1.00 0.00 N ATOM 0 H ARG A 15 4.333 -1.443 0.351 1.00 0.00 H new ATOM 0 HA ARG A 15 6.750 -1.458 2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.900 -2.408 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.165 -3.109 3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.384 -1.382 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.781 -0.646 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.345 0.445 2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.931 -0.364 2.904 1.00 0.00 H new ATOM 0 HE ARG A 15 2.824 1.194 4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.989 1.337 3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.480 2.795 3.928 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.466 3.065 5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.058 3.769 5.436 1.00 0.00 H new ATOM 236 N VAL A 16 6.679 -3.369 -0.176 1.00 0.00 N ATOM 237 CA VAL A 16 7.152 -4.580 -0.834 1.00 0.00 C ATOM 238 C VAL A 16 8.589 -4.366 -1.201 1.00 0.00 C ATOM 239 O VAL A 16 9.476 -5.137 -0.833 1.00 0.00 O ATOM 240 CB VAL A 16 6.321 -4.937 -2.086 1.00 0.00 C ATOM 241 CG1 VAL A 16 6.328 -3.796 -3.089 1.00 0.00 C ATOM 242 CG2 VAL A 16 6.835 -6.219 -2.723 1.00 0.00 C ATOM 0 H VAL A 16 6.619 -2.557 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 16 7.043 -5.421 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 16 5.290 -5.100 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.736 -4.074 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.901 -2.905 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.353 -3.589 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.236 -6.453 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.876 -6.087 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.761 -7.037 -2.006 1.00 0.00 H new ATOM 252 N ILE A 17 8.811 -3.238 -1.851 1.00 0.00 N ATOM 253 CA ILE A 17 10.129 -2.814 -2.188 1.00 0.00 C ATOM 254 C ILE A 17 10.105 -1.308 -2.206 1.00 0.00 C ATOM 255 O ILE A 17 9.974 -0.673 -3.253 1.00 0.00 O ATOM 256 CB ILE A 17 10.582 -3.342 -3.565 1.00 0.00 C ATOM 257 CG1 ILE A 17 10.504 -4.869 -3.606 1.00 0.00 C ATOM 258 CG2 ILE A 17 11.997 -2.873 -3.875 1.00 0.00 C ATOM 259 CD1 ILE A 17 11.462 -5.549 -2.653 1.00 0.00 C ATOM 0 H ILE A 17 8.074 -2.601 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 17 10.836 -3.207 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 17 9.911 -2.942 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.486 -5.179 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.712 -5.208 -4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.301 -3.254 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.025 -1.783 -3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.679 -3.245 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.352 -6.630 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 17 12.485 -5.268 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.241 -5.239 -1.632 1.00 0.00 H new ATOM 271 N PRO A 18 10.261 -0.727 -1.022 1.00 0.00 N ATOM 272 CA PRO A 18 10.295 0.678 -0.803 1.00 0.00 C ATOM 273 C PRO A 18 11.727 1.175 -0.874 1.00 0.00 C ATOM 274 O PRO A 18 12.661 0.407 -1.111 1.00 0.00 O ATOM 275 CB PRO A 18 9.718 0.850 0.615 1.00 0.00 C ATOM 276 CG PRO A 18 9.572 -0.540 1.151 1.00 0.00 C ATOM 277 CD PRO A 18 10.404 -1.393 0.249 1.00 0.00 C ATOM 0 HA PRO A 18 9.732 1.244 -1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.383 1.446 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.758 1.365 0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.917 -0.603 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.529 -0.858 1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.444 -1.433 0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.042 -2.420 0.213 1.00 0.00 H new ATOM 285 N LYS A 19 11.880 2.449 -0.671 1.00 0.00 N ATOM 286 CA LYS A 19 13.188 3.094 -0.704 1.00 0.00 C ATOM 287 C LYS A 19 14.089 2.561 0.407 1.00 0.00 C ATOM 288 O LYS A 19 15.312 2.528 0.266 1.00 0.00 O ATOM 289 CB LYS A 19 13.036 4.612 -0.575 1.00 0.00 C ATOM 290 CG LYS A 19 12.553 5.064 0.796 1.00 0.00 C ATOM 291 CD LYS A 19 13.607 5.890 1.517 1.00 0.00 C ATOM 292 CE LYS A 19 13.740 5.476 2.973 1.00 0.00 C ATOM 293 NZ LYS A 19 15.154 5.531 3.438 1.00 0.00 N1+ ATOM 0 H LYS A 19 11.107 3.086 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 19 13.654 2.864 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.996 5.084 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.335 4.964 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.642 5.652 0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.299 4.192 1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.568 5.773 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.344 6.946 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.128 6.130 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.355 4.464 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.287 4.864 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.787 5.273 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.376 6.494 3.760 1.00 0.00 H new ATOM 307 N VAL A 20 13.477 2.143 1.511 1.00 0.00 N ATOM 308 CA VAL A 20 14.224 1.610 2.644 1.00 0.00 C ATOM 309 C VAL A 20 15.148 2.667 3.238 1.00 0.00 C ATOM 310 O VAL A 20 16.133 3.038 2.565 1.00 0.00 O ATOM 311 CB VAL A 20 15.060 0.382 2.237 1.00 0.00 C ATOM 312 CG1 VAL A 20 15.671 -0.279 3.462 1.00 0.00 C ATOM 313 CG2 VAL A 20 14.208 -0.608 1.457 1.00 0.00 C ATOM 314 OXT VAL A 20 14.880 3.115 4.373 1.00 0.00 O ATOM 0 H VAL A 20 12.466 2.163 1.644 1.00 0.00 H new ATOM 0 HA VAL A 20 13.492 1.309 3.393 1.00 0.00 H new ATOM 0 HB VAL A 20 15.872 0.716 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.258 -1.144 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.317 0.433 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.877 -0.600 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.815 -1.469 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.374 -0.937 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.824 -0.128 0.557 1.00 0.00 H new