USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=1 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 15:sc= 0.665 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -1.06 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 36 N SER A 4 -12.274 2.282 -1.196 1.00 0.00 N ATOM 37 CA SER A 4 -11.919 3.002 0.022 1.00 0.00 C ATOM 38 C SER A 4 -10.695 2.363 0.660 1.00 0.00 C ATOM 39 O SER A 4 -9.930 3.013 1.372 1.00 0.00 O ATOM 40 CB SER A 4 -13.089 2.999 1.008 1.00 0.00 C ATOM 41 OG SER A 4 -14.321 2.793 0.339 1.00 0.00 O ATOM 0 HA SER A 4 -11.689 4.036 -0.236 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.940 2.216 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.118 3.947 1.545 1.00 0.00 H new ATOM 0 HG SER A 4 -14.150 2.467 -0.569 1.00 0.00 H new ATOM 47 N VAL A 5 -10.520 1.079 0.376 1.00 0.00 N ATOM 48 CA VAL A 5 -9.397 0.314 0.887 1.00 0.00 C ATOM 49 C VAL A 5 -8.121 0.719 0.180 1.00 0.00 C ATOM 50 O VAL A 5 -7.025 0.550 0.708 1.00 0.00 O ATOM 51 CB VAL A 5 -9.597 -1.175 0.639 1.00 0.00 C ATOM 52 CG1 VAL A 5 -8.560 -1.993 1.395 1.00 0.00 C ATOM 53 CG2 VAL A 5 -11.011 -1.613 0.998 1.00 0.00 C ATOM 0 H VAL A 5 -11.154 0.541 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.329 0.514 1.956 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.459 -1.357 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.722 -3.054 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.561 -1.713 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.653 -1.800 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.120 -2.681 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.198 -1.410 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.728 -1.062 0.390 1.00 0.00 H new ATOM 63 N PHE A 6 -8.282 1.259 -1.028 1.00 0.00 N ATOM 64 CA PHE A 6 -7.157 1.710 -1.837 1.00 0.00 C ATOM 65 C PHE A 6 -6.127 2.434 -0.971 1.00 0.00 C ATOM 66 O PHE A 6 -4.941 2.480 -1.297 1.00 0.00 O ATOM 67 CB PHE A 6 -7.669 2.623 -2.959 1.00 0.00 C ATOM 68 CG PHE A 6 -7.373 4.084 -2.753 1.00 0.00 C ATOM 69 CD1 PHE A 6 -6.363 4.707 -3.469 1.00 0.00 C ATOM 70 CD2 PHE A 6 -8.101 4.830 -1.840 1.00 0.00 C ATOM 71 CE1 PHE A 6 -6.085 6.047 -3.279 1.00 0.00 C ATOM 72 CE2 PHE A 6 -7.828 6.171 -1.647 1.00 0.00 C ATOM 73 CZ PHE A 6 -6.819 6.780 -2.366 1.00 0.00 C ATOM 0 H PHE A 6 -9.192 1.394 -1.469 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.665 0.845 -2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -7.225 2.304 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.747 2.493 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.787 4.138 -4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.890 4.358 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.295 6.521 -3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.404 6.742 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.604 7.828 -2.215 1.00 0.00 H new ATOM 83 N GLY A 7 -6.599 2.984 0.143 1.00 0.00 N ATOM 84 CA GLY A 7 -5.717 3.684 1.056 1.00 0.00 C ATOM 85 C GLY A 7 -4.737 2.741 1.720 1.00 0.00 C ATOM 86 O GLY A 7 -3.557 3.058 1.869 1.00 0.00 O ATOM 0 H GLY A 7 -7.578 2.957 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.170 4.455 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.309 4.190 1.819 1.00 0.00 H new ATOM 90 N ARG A 8 -5.230 1.568 2.105 1.00 0.00 N ATOM 91 CA ARG A 8 -4.398 0.558 2.742 1.00 0.00 C ATOM 92 C ARG A 8 -3.480 -0.090 1.713 1.00 0.00 C ATOM 93 O ARG A 8 -2.261 -0.108 1.881 1.00 0.00 O ATOM 94 CB ARG A 8 -5.269 -0.506 3.415 1.00 0.00 C ATOM 95 CG ARG A 8 -5.465 -0.281 4.905 1.00 0.00 C ATOM 96 CD ARG A 8 -6.779 0.425 5.192 1.00 0.00 C ATOM 97 NE ARG A 8 -6.637 1.879 5.164 1.00 0.00 N ATOM 98 CZ ARG A 8 -7.665 2.724 5.150 1.00 0.00 C ATOM 99 NH1 ARG A 8 -8.910 2.264 5.157 1.00 0.00 N ATOM 100 NH2 ARG A 8 -7.449 4.032 5.129 1.00 0.00 N ATOM 0 H ARG A 8 -6.205 1.295 1.985 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.788 1.041 3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.244 -0.526 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.815 -1.485 3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.444 -1.239 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.639 0.312 5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.523 0.119 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.151 0.116 6.169 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.695 2.269 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.082 1.259 5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.695 2.916 5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.494 4.391 5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.237 4.679 5.118 1.00 0.00 H new ATOM 114 N LEU A 9 -4.072 -0.614 0.640 1.00 0.00 N ATOM 115 CA LEU A 9 -3.297 -1.254 -0.420 1.00 0.00 C ATOM 116 C LEU A 9 -2.185 -0.328 -0.912 1.00 0.00 C ATOM 117 O LEU A 9 -1.097 -0.778 -1.266 1.00 0.00 O ATOM 118 CB LEU A 9 -4.208 -1.639 -1.588 1.00 0.00 C ATOM 119 CG LEU A 9 -4.946 -2.970 -1.425 1.00 0.00 C ATOM 120 CD1 LEU A 9 -6.331 -2.743 -0.843 1.00 0.00 C ATOM 121 CD2 LEU A 9 -5.041 -3.695 -2.760 1.00 0.00 C ATOM 0 H LEU A 9 -5.080 -0.608 0.483 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.843 -2.157 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.944 -0.848 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.608 -1.683 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.380 -3.595 -0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.841 -3.700 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.242 -2.266 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.905 -2.100 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.569 -4.639 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.584 -3.075 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.038 -3.891 -3.140 1.00 0.00 H new ATOM 133 N ALA A 10 -2.470 0.970 -0.919 1.00 0.00 N ATOM 134 CA ALA A 10 -1.508 1.982 -1.359 1.00 0.00 C ATOM 135 C ALA A 10 -0.150 1.815 -0.678 1.00 0.00 C ATOM 136 O ALA A 10 0.866 2.303 -1.174 1.00 0.00 O ATOM 137 CB ALA A 10 -2.059 3.374 -1.089 1.00 0.00 C ATOM 0 H ALA A 10 -3.368 1.352 -0.622 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.356 1.849 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.337 4.121 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.994 3.507 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.241 3.492 -0.021 1.00 0.00 H new ATOM 143 N ARG A 11 -0.140 1.140 0.466 1.00 0.00 N ATOM 144 CA ARG A 11 1.081 0.924 1.219 1.00 0.00 C ATOM 145 C ARG A 11 1.792 -0.347 0.772 1.00 0.00 C ATOM 146 O ARG A 11 3.009 -0.351 0.625 1.00 0.00 O ATOM 147 CB ARG A 11 0.783 0.880 2.725 1.00 0.00 C ATOM 148 CG ARG A 11 0.230 -0.449 3.220 1.00 0.00 C ATOM 149 CD ARG A 11 -0.731 -0.254 4.383 1.00 0.00 C ATOM 150 NE ARG A 11 -0.172 0.613 5.418 1.00 0.00 N ATOM 151 CZ ARG A 11 -0.713 0.771 6.624 1.00 0.00 C ATOM 152 NH1 ARG A 11 -1.822 0.120 6.951 1.00 0.00 N ATOM 153 NH2 ARG A 11 -0.143 1.582 7.505 1.00 0.00 N ATOM 0 H ARG A 11 -0.972 0.732 0.891 1.00 0.00 H new ATOM 0 HA ARG A 11 1.749 1.762 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.700 1.104 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.069 1.668 2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.283 -0.957 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.052 -1.094 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.663 0.176 4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.977 -1.224 4.816 1.00 0.00 H new ATOM 0 HE ARG A 11 0.683 1.127 5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.264 -0.505 6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.232 0.245 7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.710 2.085 7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.557 1.703 8.429 1.00 0.00 H new ATOM 167 N ILE A 12 1.045 -1.428 0.553 1.00 0.00 N ATOM 168 CA ILE A 12 1.665 -2.680 0.128 1.00 0.00 C ATOM 169 C ILE A 12 2.530 -2.464 -1.103 1.00 0.00 C ATOM 170 O ILE A 12 3.597 -3.062 -1.236 1.00 0.00 O ATOM 171 CB ILE A 12 0.644 -3.790 -0.165 1.00 0.00 C ATOM 172 CG1 ILE A 12 -0.357 -3.356 -1.237 1.00 0.00 C ATOM 173 CG2 ILE A 12 -0.079 -4.198 1.110 1.00 0.00 C ATOM 174 CD1 ILE A 12 -0.822 -4.492 -2.123 1.00 0.00 C ATOM 0 H ILE A 12 0.031 -1.463 0.660 1.00 0.00 H new ATOM 0 HA ILE A 12 2.280 -3.007 0.967 1.00 0.00 H new ATOM 0 HB ILE A 12 1.188 -4.653 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.223 -2.905 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.099 -2.585 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.798 -4.985 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.645 -4.566 1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.602 -3.336 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.530 -4.112 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.036 -4.929 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.307 -5.254 -1.513 1.00 0.00 H new ATOM 186 N LEU A 13 2.085 -1.577 -1.984 1.00 0.00 N ATOM 187 CA LEU A 13 2.855 -1.261 -3.182 1.00 0.00 C ATOM 188 C LEU A 13 4.151 -0.601 -2.754 1.00 0.00 C ATOM 189 O LEU A 13 5.178 -0.719 -3.421 1.00 0.00 O ATOM 190 CB LEU A 13 2.088 -0.345 -4.146 1.00 0.00 C ATOM 191 CG LEU A 13 0.945 0.463 -3.532 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.920 1.874 -4.100 1.00 0.00 C ATOM 193 CD2 LEU A 13 -0.381 -0.240 -3.781 1.00 0.00 C ATOM 0 H LEU A 13 1.205 -1.068 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 13 3.051 -2.187 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.796 0.349 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.683 -0.956 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 13 1.106 0.535 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.099 2.433 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.863 2.373 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.779 1.829 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.190 0.342 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.546 -0.336 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.358 -1.231 -3.327 1.00 0.00 H new ATOM 205 N GLY A 14 4.093 0.075 -1.611 1.00 0.00 N ATOM 206 CA GLY A 14 5.271 0.720 -1.079 1.00 0.00 C ATOM 207 C GLY A 14 5.990 -0.165 -0.074 1.00 0.00 C ATOM 208 O GLY A 14 7.142 0.080 0.253 1.00 0.00 O ATOM 0 H GLY A 14 3.250 0.185 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.949 0.970 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.988 1.658 -0.601 1.00 0.00 H new ATOM 212 N ARG A 15 5.296 -1.198 0.411 1.00 0.00 N ATOM 213 CA ARG A 15 5.856 -2.143 1.384 1.00 0.00 C ATOM 214 C ARG A 15 6.304 -3.428 0.693 1.00 0.00 C ATOM 215 O ARG A 15 6.342 -4.495 1.305 1.00 0.00 O ATOM 216 CB ARG A 15 4.830 -2.462 2.474 1.00 0.00 C ATOM 217 CG ARG A 15 4.749 -1.404 3.562 1.00 0.00 C ATOM 218 CD ARG A 15 3.923 -0.211 3.114 1.00 0.00 C ATOM 219 NE ARG A 15 3.896 0.853 4.115 1.00 0.00 N ATOM 220 CZ ARG A 15 3.247 0.767 5.274 1.00 0.00 C ATOM 221 NH1 ARG A 15 2.572 -0.333 5.588 1.00 0.00 N ATOM 222 NH2 ARG A 15 3.270 1.786 6.122 1.00 0.00 N ATOM 0 H ARG A 15 4.334 -1.403 0.142 1.00 0.00 H new ATOM 0 HA ARG A 15 6.726 -1.677 1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.848 -2.575 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.081 -3.420 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.309 -1.837 4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.754 -1.074 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.330 0.181 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.904 -0.536 2.905 1.00 0.00 H new ATOM 0 HE ARG A 15 4.405 1.714 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.548 -1.120 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.077 -0.391 6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.785 2.634 5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.773 1.721 7.010 1.00 0.00 H new ATOM 236 N VAL A 16 6.644 -3.312 -0.581 1.00 0.00 N ATOM 237 CA VAL A 16 7.096 -4.451 -1.370 1.00 0.00 C ATOM 238 C VAL A 16 8.546 -4.238 -1.683 1.00 0.00 C ATOM 239 O VAL A 16 9.403 -5.072 -1.394 1.00 0.00 O ATOM 240 CB VAL A 16 6.282 -4.632 -2.672 1.00 0.00 C ATOM 241 CG1 VAL A 16 6.356 -3.389 -3.542 1.00 0.00 C ATOM 242 CG2 VAL A 16 6.764 -5.856 -3.438 1.00 0.00 C ATOM 0 H VAL A 16 6.615 -2.432 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 16 6.948 -5.364 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 16 5.238 -4.786 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.774 -3.546 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.952 -2.537 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.395 -3.191 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.179 -5.967 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.817 -5.734 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.642 -6.744 -2.818 1.00 0.00 H new ATOM 252 N ILE A 17 8.812 -3.046 -2.186 1.00 0.00 N ATOM 253 CA ILE A 17 10.148 -2.623 -2.441 1.00 0.00 C ATOM 254 C ILE A 17 10.163 -1.125 -2.277 1.00 0.00 C ATOM 255 O ILE A 17 10.080 -0.365 -3.243 1.00 0.00 O ATOM 256 CB ILE A 17 10.624 -2.997 -3.861 1.00 0.00 C ATOM 257 CG1 ILE A 17 10.524 -4.508 -4.079 1.00 0.00 C ATOM 258 CG2 ILE A 17 12.052 -2.520 -4.085 1.00 0.00 C ATOM 259 CD1 ILE A 17 11.444 -5.311 -3.185 1.00 0.00 C ATOM 0 H ILE A 17 8.099 -2.356 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 17 10.827 -3.121 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 17 9.976 -2.501 -4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.495 -4.824 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.756 -4.733 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.373 -2.791 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.096 -1.437 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.711 -2.990 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.319 -6.373 -3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 17 12.478 -5.023 -3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.198 -5.116 -2.141 1.00 0.00 H new ATOM 271 N PRO A 18 10.298 -0.696 -1.027 1.00 0.00 N ATOM 272 CA PRO A 18 10.363 0.671 -0.636 1.00 0.00 C ATOM 273 C PRO A 18 11.810 1.128 -0.607 1.00 0.00 C ATOM 274 O PRO A 18 12.728 0.366 -0.910 1.00 0.00 O ATOM 275 CB PRO A 18 9.748 0.686 0.776 1.00 0.00 C ATOM 276 CG PRO A 18 9.550 -0.753 1.134 1.00 0.00 C ATOM 277 CD PRO A 18 10.386 -1.515 0.157 1.00 0.00 C ATOM 0 HA PRO A 18 9.839 1.341 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.408 1.181 1.488 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.803 1.228 0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.863 -0.951 2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.500 -1.037 1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.415 -1.624 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.998 -2.519 -0.013 1.00 0.00 H new ATOM 285 N LYS A 19 11.992 2.363 -0.243 1.00 0.00 N ATOM 286 CA LYS A 19 13.318 2.964 -0.161 1.00 0.00 C ATOM 287 C LYS A 19 14.168 2.270 0.900 1.00 0.00 C ATOM 288 O LYS A 19 15.393 2.213 0.789 1.00 0.00 O ATOM 289 CB LYS A 19 13.207 4.460 0.145 1.00 0.00 C ATOM 290 CG LYS A 19 12.713 4.766 1.553 1.00 0.00 C ATOM 291 CD LYS A 19 13.735 5.572 2.344 1.00 0.00 C ATOM 292 CE LYS A 19 14.016 4.949 3.703 1.00 0.00 C ATOM 293 NZ LYS A 19 15.477 4.826 3.964 1.00 0.00 N1+ ATOM 0 H LYS A 19 11.232 2.995 0.009 1.00 0.00 H new ATOM 0 HA LYS A 19 13.807 2.837 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.184 4.923 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.530 4.919 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.776 5.320 1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.501 3.833 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.663 5.640 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.369 6.590 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.557 5.557 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.554 3.963 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.628 4.397 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.911 4.225 3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.914 5.769 3.941 1.00 0.00 H new ATOM 307 N VAL A 20 13.510 1.742 1.928 1.00 0.00 N ATOM 308 CA VAL A 20 14.204 1.051 3.008 1.00 0.00 C ATOM 309 C VAL A 20 15.113 2.003 3.777 1.00 0.00 C ATOM 310 O VAL A 20 16.199 2.334 3.257 1.00 0.00 O ATOM 311 CB VAL A 20 15.044 -0.126 2.475 1.00 0.00 C ATOM 312 CG1 VAL A 20 15.587 -0.959 3.626 1.00 0.00 C ATOM 313 CG2 VAL A 20 14.219 -0.985 1.527 1.00 0.00 C ATOM 314 OXT VAL A 20 14.731 2.412 4.894 1.00 0.00 O ATOM 0 H VAL A 20 12.496 1.780 2.035 1.00 0.00 H new ATOM 0 HA VAL A 20 13.437 0.665 3.679 1.00 0.00 H new ATOM 0 HB VAL A 20 15.890 0.278 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.177 -1.785 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.216 -0.335 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.757 -1.354 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.829 -1.811 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.352 -1.381 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.885 -0.379 0.685 1.00 0.00 H new