USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 161 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N ARG A 8 22.086 9.514 15.285 1.00 0.00 N ATOM 113 CA ARG A 8 22.299 10.281 16.500 1.00 0.00 C ATOM 114 C ARG A 8 23.401 9.638 17.346 1.00 0.00 C ATOM 115 O ARG A 8 24.308 10.324 17.815 1.00 0.00 O ATOM 116 CB ARG A 8 21.017 10.370 17.328 1.00 0.00 C ATOM 117 CG ARG A 8 21.176 11.365 18.479 1.00 0.00 C ATOM 118 CD ARG A 8 19.839 11.602 19.188 1.00 0.00 C ATOM 119 NE ARG A 8 18.941 12.398 18.321 1.00 0.00 N ATOM 120 CZ ARG A 8 17.665 12.678 18.618 1.00 0.00 C ATOM 121 NH1 ARG A 8 17.149 12.286 19.791 1.00 0.00 N ATOM 122 NH2 ARG A 8 16.906 13.348 17.742 1.00 0.00 N ATOM 0 HA ARG A 8 22.599 11.287 16.208 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.188 10.676 16.690 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.767 9.386 17.725 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.908 10.987 19.193 1.00 0.00 H new ATOM 0 HG3 ARG A 8 21.562 12.310 18.097 1.00 0.00 H new ATOM 0 HD2 ARG A 8 19.372 10.647 19.430 1.00 0.00 H new ATOM 0 HD3 ARG A 8 20.005 12.124 20.130 1.00 0.00 H new ATOM 0 HE ARG A 8 19.317 12.755 17.443 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.728 11.775 20.457 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.178 12.499 20.017 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.299 13.645 16.849 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.934 13.561 17.968 1.00 0.00 H new ATOM 136 N ARG A 9 23.285 8.329 17.516 1.00 0.00 N ATOM 137 CA ARG A 9 24.388 7.542 18.038 1.00 0.00 C ATOM 138 C ARG A 9 25.561 7.556 17.056 1.00 0.00 C ATOM 139 O ARG A 9 26.715 7.412 17.459 1.00 0.00 O ATOM 140 CB ARG A 9 23.961 6.094 18.290 1.00 0.00 C ATOM 141 CG ARG A 9 23.126 5.983 19.568 1.00 0.00 C ATOM 142 CD ARG A 9 22.748 4.528 19.851 1.00 0.00 C ATOM 143 NE ARG A 9 22.163 4.412 21.205 1.00 0.00 N ATOM 144 CZ ARG A 9 21.870 3.247 21.799 1.00 0.00 C ATOM 145 NH1 ARG A 9 21.987 2.099 21.118 1.00 0.00 N ATOM 146 NH2 ARG A 9 21.460 3.230 23.075 1.00 0.00 N ATOM 0 H ARG A 9 22.443 7.794 17.301 1.00 0.00 H new ATOM 0 HA ARG A 9 24.695 7.988 18.984 1.00 0.00 H new ATOM 0 HB2 ARG A 9 23.383 5.728 17.441 1.00 0.00 H new ATOM 0 HB3 ARG A 9 24.844 5.460 18.372 1.00 0.00 H new ATOM 0 HG2 ARG A 9 23.688 6.387 20.410 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.222 6.585 19.470 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.034 4.178 19.106 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.630 3.892 19.771 1.00 0.00 H new ATOM 0 HE ARG A 9 21.971 5.272 21.718 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.299 2.112 20.147 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.764 1.213 21.571 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.371 4.104 23.594 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.237 2.343 23.527 1.00 0.00 H new ATOM 160 N LYS A 10 25.227 7.731 15.786 1.00 0.00 N ATOM 161 CA LYS A 10 26.243 7.878 14.758 1.00 0.00 C ATOM 162 C LYS A 10 26.991 9.195 14.972 1.00 0.00 C ATOM 163 O LYS A 10 28.178 9.297 14.662 1.00 0.00 O ATOM 164 CB LYS A 10 25.621 7.743 13.367 1.00 0.00 C ATOM 165 CG LYS A 10 26.476 6.847 12.468 1.00 0.00 C ATOM 166 CD LYS A 10 25.923 6.813 11.042 1.00 0.00 C ATOM 167 CE LYS A 10 26.763 5.897 10.150 1.00 0.00 C ATOM 168 NZ LYS A 10 26.226 5.881 8.772 1.00 0.00 N ATOM 0 H LYS A 10 24.267 7.774 15.445 1.00 0.00 H new ATOM 0 HA LYS A 10 26.979 7.077 14.832 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.617 7.327 13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 10 25.519 8.729 12.913 1.00 0.00 H new ATOM 0 HG2 LYS A 10 27.503 7.213 12.455 1.00 0.00 H new ATOM 0 HG3 LYS A 10 26.503 5.836 12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.890 6.465 11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.914 7.821 10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.798 6.239 10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.766 4.886 10.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.808 5.254 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.246 5.533 8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.246 6.844 8.380 1.00 0.00 H new ATOM 182 N LEU A 11 26.267 10.172 15.501 1.00 0.00 N ATOM 183 CA LEU A 11 26.833 11.494 15.709 1.00 0.00 C ATOM 184 C LEU A 11 27.404 11.582 17.125 1.00 0.00 C ATOM 185 O LEU A 11 27.683 12.673 17.619 1.00 0.00 O ATOM 186 CB LEU A 11 25.796 12.574 15.395 1.00 0.00 C ATOM 187 CG LEU A 11 25.142 12.496 14.015 1.00 0.00 C ATOM 188 CD1 LEU A 11 24.038 13.547 13.870 1.00 0.00 C ATOM 189 CD2 LEU A 11 26.188 12.608 12.904 1.00 0.00 C ATOM 0 H LEU A 11 25.294 10.074 15.791 1.00 0.00 H new ATOM 0 HA LEU A 11 27.660 11.668 15.021 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.011 12.526 16.150 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.274 13.548 15.494 1.00 0.00 H new ATOM 0 HG LEU A 11 24.671 11.518 13.916 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.590 13.469 12.879 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.274 13.379 14.629 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.464 14.542 13.999 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.696 12.549 11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.709 13.562 12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.906 11.793 12.996 1.00 0.00 H new ATOM 201 N LYS A 12 27.562 10.419 17.739 1.00 0.00 N ATOM 202 CA LYS A 12 28.408 10.301 18.914 1.00 0.00 C ATOM 203 C LYS A 12 29.469 9.227 18.667 1.00 0.00 C ATOM 204 O LYS A 12 29.934 8.582 19.606 1.00 0.00 O ATOM 205 CB LYS A 12 27.560 10.052 20.163 1.00 0.00 C ATOM 206 CG LYS A 12 26.636 11.239 20.443 1.00 0.00 C ATOM 207 CD LYS A 12 25.836 11.019 21.729 1.00 0.00 C ATOM 208 CE LYS A 12 24.934 12.220 22.025 1.00 0.00 C ATOM 209 NZ LYS A 12 24.198 12.014 23.292 1.00 0.00 N ATOM 0 H LYS A 12 27.118 9.549 17.444 1.00 0.00 H new ATOM 0 HA LYS A 12 28.937 11.236 19.098 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.966 9.148 20.030 1.00 0.00 H new ATOM 0 HB3 LYS A 12 28.211 9.882 21.021 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.226 12.151 20.529 1.00 0.00 H new ATOM 0 HG3 LYS A 12 25.953 11.379 19.605 1.00 0.00 H new ATOM 0 HD2 LYS A 12 25.229 10.118 21.635 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.519 10.858 22.563 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.535 13.127 22.090 1.00 0.00 H new ATOM 0 HE3 LYS A 12 24.228 12.363 21.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.591 12.837 23.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 23.610 11.160 23.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 24.876 11.900 24.073 1.00 0.00 H new ATOM 223 N LYS A 13 29.820 9.067 17.400 1.00 0.00 N ATOM 224 CA LYS A 13 30.834 8.097 17.020 1.00 0.00 C ATOM 225 C LYS A 13 31.654 8.651 15.854 1.00 0.00 C ATOM 226 O LYS A 13 32.877 8.755 15.944 1.00 0.00 O ATOM 227 CB LYS A 13 30.192 6.739 16.730 1.00 0.00 C ATOM 228 CG LYS A 13 31.254 5.694 16.380 1.00 0.00 C ATOM 229 CD LYS A 13 30.625 4.311 16.200 1.00 0.00 C ATOM 230 CE LYS A 13 31.688 3.267 15.850 1.00 0.00 C ATOM 231 NZ LYS A 13 31.071 1.930 15.701 1.00 0.00 N ATOM 0 H LYS A 13 29.420 9.593 16.623 1.00 0.00 H new ATOM 0 HA LYS A 13 31.527 7.928 17.844 1.00 0.00 H new ATOM 0 HB2 LYS A 13 29.624 6.408 17.599 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.486 6.835 15.905 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.768 5.986 15.464 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.005 5.656 17.169 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.111 4.019 17.116 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.874 4.349 15.411 1.00 0.00 H new ATOM 0 HE2 LYS A 13 32.191 3.547 14.924 1.00 0.00 H new ATOM 0 HE3 LYS A 13 32.449 3.238 16.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 31.806 1.233 15.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.612 1.658 16.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 30.362 1.958 14.941 1.00 0.00 H new ATOM 245 N LEU A 14 30.948 8.995 14.786 1.00 0.00 N ATOM 246 CA LEU A 14 31.574 9.662 13.658 1.00 0.00 C ATOM 247 C LEU A 14 32.088 11.033 14.103 1.00 0.00 C ATOM 248 O LEU A 14 33.228 11.395 13.818 1.00 0.00 O ATOM 249 CB LEU A 14 30.613 9.722 12.470 1.00 0.00 C ATOM 250 CG LEU A 14 31.228 10.125 11.129 1.00 0.00 C ATOM 251 CD1 LEU A 14 32.073 8.988 10.549 1.00 0.00 C ATOM 252 CD2 LEU A 14 30.151 10.595 10.149 1.00 0.00 C ATOM 0 H LEU A 14 29.948 8.824 14.679 1.00 0.00 H new ATOM 0 HA LEU A 14 32.437 9.094 13.311 1.00 0.00 H new ATOM 0 HB2 LEU A 14 30.148 8.743 12.354 1.00 0.00 H new ATOM 0 HB3 LEU A 14 29.816 10.427 12.708 1.00 0.00 H new ATOM 0 HG LEU A 14 31.896 10.969 11.301 1.00 0.00 H new ATOM 0 HD11 LEU A 14 32.499 9.301 9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 14 32.877 8.742 11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 14 31.445 8.110 10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 14 30.616 10.875 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 14 29.438 9.788 9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 14 29.630 11.457 10.567 1.00 0.00 H new ATOM 264 N ARG A 15 31.222 11.759 14.795 1.00 0.00 N ATOM 265 CA ARG A 15 31.595 13.054 15.337 1.00 0.00 C ATOM 266 C ARG A 15 32.786 12.910 16.286 1.00 0.00 C ATOM 267 O ARG A 15 33.805 13.577 16.115 1.00 0.00 O ATOM 268 CB ARG A 15 30.426 13.694 16.089 1.00 0.00 C ATOM 269 CG ARG A 15 30.278 15.170 15.719 1.00 0.00 C ATOM 270 CD ARG A 15 29.188 15.839 16.558 1.00 0.00 C ATOM 271 NE ARG A 15 29.071 17.268 16.190 1.00 0.00 N ATOM 272 CZ ARG A 15 28.242 18.133 16.791 1.00 0.00 C ATOM 273 NH1 ARG A 15 27.434 17.715 17.775 1.00 0.00 N ATOM 274 NH2 ARG A 15 28.221 19.417 16.407 1.00 0.00 N ATOM 0 H ARG A 15 30.263 11.474 14.993 1.00 0.00 H new ATOM 0 HA ARG A 15 31.869 13.697 14.500 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.504 13.163 15.855 1.00 0.00 H new ATOM 0 HB3 ARG A 15 30.584 13.599 17.163 1.00 0.00 H new ATOM 0 HG2 ARG A 15 31.227 15.684 15.873 1.00 0.00 H new ATOM 0 HG3 ARG A 15 30.034 15.261 14.661 1.00 0.00 H new ATOM 0 HD2 ARG A 15 28.235 15.335 16.399 1.00 0.00 H new ATOM 0 HD3 ARG A 15 29.425 15.746 17.618 1.00 0.00 H new ATOM 0 HE ARG A 15 29.658 17.616 15.432 1.00 0.00 H new ATOM 0 HH11 ARG A 15 27.450 16.738 18.067 1.00 0.00 H new ATOM 0 HH12 ARG A 15 26.804 18.374 18.232 1.00 0.00 H new ATOM 0 HH21 ARG A 15 28.836 19.735 15.658 1.00 0.00 H new ATOM 0 HH22 ARG A 15 27.590 20.076 16.864 1.00 0.00 H new ATOM 288 N ASN A 16 32.619 12.034 17.266 1.00 0.00 N ATOM 289 CA ASN A 16 33.641 11.841 18.281 1.00 0.00 C ATOM 290 C ASN A 16 34.975 11.532 17.601 1.00 0.00 C ATOM 291 O ASN A 16 36.006 12.101 17.960 1.00 0.00 O ATOM 292 CB ASN A 16 33.294 10.666 19.196 1.00 0.00 C ATOM 293 CG ASN A 16 34.290 10.558 20.352 1.00 0.00 C ATOM 294 OD1 ASN A 16 35.237 9.789 20.319 1.00 0.00 O ATOM 295 ND2 ASN A 16 34.025 11.369 21.372 1.00 0.00 N ATOM 0 H ASN A 16 31.791 11.450 17.379 1.00 0.00 H new ATOM 0 HA ASN A 16 33.704 12.753 18.874 1.00 0.00 H new ATOM 0 HB2 ASN A 16 32.286 10.793 19.591 1.00 0.00 H new ATOM 0 HB3 ASN A 16 33.297 9.740 18.621 1.00 0.00 H new ATOM 0 HD21 ASN A 16 34.632 11.372 22.192 1.00 0.00 H new ATOM 0 HD22 ASN A 16 33.215 11.988 21.334 1.00 0.00 H new ATOM 302 N ALA A 17 34.915 10.633 16.630 1.00 0.00 N ATOM 303 CA ALA A 17 36.119 10.175 15.956 1.00 0.00 C ATOM 304 C ALA A 17 36.744 11.342 15.189 1.00 0.00 C ATOM 305 O ALA A 17 37.959 11.528 15.217 1.00 0.00 O ATOM 306 CB ALA A 17 35.777 8.995 15.046 1.00 0.00 C ATOM 0 H ALA A 17 34.051 10.209 16.293 1.00 0.00 H new ATOM 0 HA ALA A 17 36.855 9.825 16.680 1.00 0.00 H new ATOM 0 HB1 ALA A 17 36.680 8.652 14.541 1.00 0.00 H new ATOM 0 HB2 ALA A 17 35.364 8.182 15.644 1.00 0.00 H new ATOM 0 HB3 ALA A 17 35.043 9.309 14.304 1.00 0.00 H new ATOM 312 N LEU A 18 35.884 12.098 14.523 1.00 0.00 N ATOM 313 CA LEU A 18 36.340 13.219 13.719 1.00 0.00 C ATOM 314 C LEU A 18 37.053 14.230 14.620 1.00 0.00 C ATOM 315 O LEU A 18 38.105 14.755 14.258 1.00 0.00 O ATOM 316 CB LEU A 18 35.177 13.818 12.925 1.00 0.00 C ATOM 317 CG LEU A 18 35.506 15.052 12.081 1.00 0.00 C ATOM 318 CD1 LEU A 18 36.560 14.726 11.022 1.00 0.00 C ATOM 319 CD2 LEU A 18 34.239 15.647 11.464 1.00 0.00 C ATOM 0 H LEU A 18 34.874 11.956 14.524 1.00 0.00 H new ATOM 0 HA LEU A 18 37.064 12.885 12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.778 13.047 12.266 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.383 14.082 13.624 1.00 0.00 H new ATOM 0 HG LEU A 18 35.932 15.811 12.737 1.00 0.00 H new ATOM 0 HD11 LEU A 18 36.776 15.620 10.436 1.00 0.00 H new ATOM 0 HD12 LEU A 18 37.472 14.383 11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 18 36.184 13.943 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.500 16.522 10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.762 14.904 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.551 15.939 12.257 1.00 0.00 H new ATOM 331 N LYS A 19 36.454 14.471 15.776 1.00 0.00 N ATOM 332 CA LYS A 19 36.988 15.449 16.708 1.00 0.00 C ATOM 333 C LYS A 19 38.329 14.950 17.250 1.00 0.00 C ATOM 334 O LYS A 19 39.249 15.739 17.462 1.00 0.00 O ATOM 335 CB LYS A 19 35.963 15.767 17.799 1.00 0.00 C ATOM 336 CG LYS A 19 36.451 16.910 18.692 1.00 0.00 C ATOM 337 CD LYS A 19 35.375 17.313 19.702 1.00 0.00 C ATOM 338 CE LYS A 19 35.856 18.466 20.585 1.00 0.00 C ATOM 339 NZ LYS A 19 34.806 18.847 21.556 1.00 0.00 N ATOM 0 H LYS A 19 35.602 14.005 16.089 1.00 0.00 H new ATOM 0 HA LYS A 19 37.180 16.394 16.200 1.00 0.00 H new ATOM 0 HB2 LYS A 19 35.012 16.039 17.341 1.00 0.00 H new ATOM 0 HB3 LYS A 19 35.783 14.879 18.405 1.00 0.00 H new ATOM 0 HG2 LYS A 19 37.354 16.604 19.220 1.00 0.00 H new ATOM 0 HG3 LYS A 19 36.717 17.769 18.076 1.00 0.00 H new ATOM 0 HD2 LYS A 19 34.468 17.608 19.174 1.00 0.00 H new ATOM 0 HD3 LYS A 19 35.117 16.457 20.325 1.00 0.00 H new ATOM 0 HE2 LYS A 19 36.761 18.172 21.116 1.00 0.00 H new ATOM 0 HE3 LYS A 19 36.115 19.324 19.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 35.148 19.631 22.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 33.952 19.147 21.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 34.579 18.031 22.160 1.00 0.00 H new ATOM 353 N LYS A 20 38.398 13.644 17.460 1.00 0.00 N ATOM 354 CA LYS A 20 39.619 13.026 17.947 1.00 0.00 C ATOM 355 C LYS A 20 40.721 13.189 16.899 1.00 0.00 C ATOM 356 O LYS A 20 41.887 13.374 17.242 1.00 0.00 O ATOM 357 CB LYS A 20 39.361 11.573 18.349 1.00 0.00 C ATOM 358 CG LYS A 20 40.515 11.025 19.193 1.00 0.00 C ATOM 359 CD LYS A 20 40.260 9.569 19.590 1.00 0.00 C ATOM 360 CE LYS A 20 41.404 9.027 20.450 1.00 0.00 C ATOM 361 NZ LYS A 20 41.119 7.640 20.878 1.00 0.00 N ATOM 0 H LYS A 20 37.627 12.996 17.301 1.00 0.00 H new ATOM 0 HA LYS A 20 39.964 13.525 18.852 1.00 0.00 H new ATOM 0 HB2 LYS A 20 38.430 11.507 18.913 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.236 10.961 17.456 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.446 11.095 18.631 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.637 11.634 20.089 1.00 0.00 H new ATOM 0 HD2 LYS A 20 39.321 9.497 20.140 1.00 0.00 H new ATOM 0 HD3 LYS A 20 40.152 8.957 18.694 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.336 9.055 19.885 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.542 9.663 21.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 41.905 7.288 21.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 40.241 7.622 21.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 41.010 7.034 20.040 1.00 0.00 H new ATOM 375 N LYS A 21 40.311 13.113 15.640 1.00 0.00 N ATOM 376 CA LYS A 21 41.254 13.213 14.539 1.00 0.00 C ATOM 377 C LYS A 21 41.760 14.653 14.436 1.00 0.00 C ATOM 378 O LYS A 21 42.947 14.884 14.206 1.00 0.00 O ATOM 379 CB LYS A 21 40.627 12.688 13.247 1.00 0.00 C ATOM 380 CG LYS A 21 41.216 11.328 12.864 1.00 0.00 C ATOM 381 CD LYS A 21 40.771 10.243 13.845 1.00 0.00 C ATOM 382 CE LYS A 21 41.459 8.911 13.537 1.00 0.00 C ATOM 383 NZ LYS A 21 41.080 7.888 14.537 1.00 0.00 N ATOM 0 H LYS A 21 39.339 12.983 15.359 1.00 0.00 H new ATOM 0 HA LYS A 21 42.123 12.582 14.723 1.00 0.00 H new ATOM 0 HB2 LYS A 21 39.548 12.599 13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 21 40.796 13.402 12.441 1.00 0.00 H new ATOM 0 HG2 LYS A 21 40.901 11.062 11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 21 42.304 11.389 12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 21 41.005 10.551 14.864 1.00 0.00 H new ATOM 0 HD3 LYS A 21 39.689 10.119 13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 21 41.180 8.573 12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 21 42.541 9.045 13.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 41.556 6.991 14.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 41.368 8.205 15.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 40.050 7.748 14.517 1.00 0.00 H new