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=-0.0015) 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 21.555 8.495 16.096 1.00 0.00 N ATOM 113 CA ARG A 8 22.072 9.556 16.942 1.00 0.00 C ATOM 114 C ARG A 8 23.419 9.149 17.540 1.00 0.00 C ATOM 115 O ARG A 8 24.296 9.989 17.734 1.00 0.00 O ATOM 116 CB ARG A 8 21.096 9.880 18.075 1.00 0.00 C ATOM 117 CG ARG A 8 19.830 10.551 17.535 1.00 0.00 C ATOM 118 CD ARG A 8 18.860 10.886 18.669 1.00 0.00 C ATOM 119 NE ARG A 8 17.649 11.537 18.122 1.00 0.00 N ATOM 120 CZ ARG A 8 16.617 11.951 18.870 1.00 0.00 C ATOM 121 NH1 ARG A 8 16.642 11.784 20.199 1.00 0.00 N ATOM 122 NH2 ARG A 8 15.559 12.534 18.288 1.00 0.00 N ATOM 0 HA ARG A 8 22.200 10.443 16.322 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.829 8.964 18.603 1.00 0.00 H new ATOM 0 HB3 ARG A 8 21.579 10.536 18.799 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.097 11.462 16.999 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.342 9.891 16.818 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.584 9.977 19.204 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.344 11.545 19.390 1.00 0.00 H new ATOM 0 HE ARG A 8 17.596 11.679 17.113 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.447 11.341 20.642 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.856 12.099 20.768 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.540 12.662 17.276 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.773 12.849 18.857 1.00 0.00 H new ATOM 136 N ARG A 9 23.542 7.859 17.818 1.00 0.00 N ATOM 137 CA ARG A 9 24.767 7.331 18.395 1.00 0.00 C ATOM 138 C ARG A 9 25.858 7.232 17.327 1.00 0.00 C ATOM 139 O ARG A 9 27.045 7.337 17.634 1.00 0.00 O ATOM 140 CB ARG A 9 24.536 5.948 19.007 1.00 0.00 C ATOM 141 CG ARG A 9 23.569 6.026 20.189 1.00 0.00 C ATOM 142 CD ARG A 9 23.515 4.696 20.943 1.00 0.00 C ATOM 143 NE ARG A 9 22.569 4.794 22.076 1.00 0.00 N ATOM 144 CZ ARG A 9 22.528 3.928 23.098 1.00 0.00 C ATOM 145 NH1 ARG A 9 23.256 2.804 23.053 1.00 0.00 N ATOM 146 NH2 ARG A 9 21.758 4.185 24.165 1.00 0.00 N ATOM 0 H ARG A 9 22.814 7.164 17.654 1.00 0.00 H new ATOM 0 HA ARG A 9 25.085 8.016 19.181 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.136 5.273 18.250 1.00 0.00 H new ATOM 0 HB3 ARG A 9 25.487 5.529 19.337 1.00 0.00 H new ATOM 0 HG2 ARG A 9 23.882 6.820 20.867 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.573 6.286 19.832 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.205 3.898 20.268 1.00 0.00 H new ATOM 0 HD3 ARG A 9 24.508 4.436 21.309 1.00 0.00 H new ATOM 0 HE ARG A 9 21.906 5.569 22.080 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.841 2.608 22.241 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.225 2.145 23.831 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.203 5.040 24.199 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.727 3.525 24.942 1.00 0.00 H new ATOM 160 N LYS A 10 25.418 7.033 16.093 1.00 0.00 N ATOM 161 CA LYS A 10 26.335 7.001 14.967 1.00 0.00 C ATOM 162 C LYS A 10 26.870 8.411 14.709 1.00 0.00 C ATOM 163 O LYS A 10 28.042 8.583 14.376 1.00 0.00 O ATOM 164 CB LYS A 10 25.664 6.365 13.747 1.00 0.00 C ATOM 165 CG LYS A 10 25.777 4.840 13.791 1.00 0.00 C ATOM 166 CD LYS A 10 24.944 4.197 12.680 1.00 0.00 C ATOM 167 CE LYS A 10 25.079 2.673 12.707 1.00 0.00 C ATOM 168 NZ LYS A 10 24.335 2.068 11.580 1.00 0.00 N ATOM 0 H LYS A 10 24.438 6.892 15.849 1.00 0.00 H new ATOM 0 HA LYS A 10 27.195 6.371 15.194 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.614 6.654 13.713 1.00 0.00 H new ATOM 0 HB3 LYS A 10 26.128 6.741 12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.821 4.546 13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.440 4.474 14.761 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.897 4.475 12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.268 4.577 11.711 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.131 2.394 12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 10 24.699 2.285 13.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 24.437 1.033 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 23.329 2.320 11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.716 2.425 10.681 1.00 0.00 H new ATOM 182 N LEU A 11 25.985 9.384 14.875 1.00 0.00 N ATOM 183 CA LEU A 11 26.367 10.777 14.715 1.00 0.00 C ATOM 184 C LEU A 11 27.316 11.174 15.847 1.00 0.00 C ATOM 185 O LEU A 11 28.254 11.941 15.635 1.00 0.00 O ATOM 186 CB LEU A 11 25.126 11.665 14.614 1.00 0.00 C ATOM 187 CG LEU A 11 24.331 11.562 13.311 1.00 0.00 C ATOM 188 CD1 LEU A 11 22.932 12.159 13.473 1.00 0.00 C ATOM 189 CD2 LEU A 11 25.096 12.202 12.150 1.00 0.00 C ATOM 0 H LEU A 11 25.006 9.235 15.118 1.00 0.00 H new ATOM 0 HA LEU A 11 26.908 10.918 13.780 1.00 0.00 H new ATOM 0 HB2 LEU A 11 24.461 11.421 15.442 1.00 0.00 H new ATOM 0 HB3 LEU A 11 25.434 12.702 14.747 1.00 0.00 H new ATOM 0 HG LEU A 11 24.205 10.506 13.071 1.00 0.00 H new ATOM 0 HD11 LEU A 11 22.388 12.073 12.532 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.395 11.620 14.253 1.00 0.00 H new ATOM 0 HD13 LEU A 11 23.015 13.210 13.749 1.00 0.00 H new ATOM 0 HD21 LEU A 11 24.509 12.115 11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 11 25.274 13.255 12.368 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.050 11.692 12.018 1.00 0.00 H new ATOM 201 N LYS A 12 27.041 10.633 17.025 1.00 0.00 N ATOM 202 CA LYS A 12 27.877 10.897 18.183 1.00 0.00 C ATOM 203 C LYS A 12 29.265 10.294 17.954 1.00 0.00 C ATOM 204 O LYS A 12 30.276 10.912 18.282 1.00 0.00 O ATOM 205 CB LYS A 12 27.195 10.401 19.461 1.00 0.00 C ATOM 206 CG LYS A 12 27.984 10.822 20.702 1.00 0.00 C ATOM 207 CD LYS A 12 27.289 10.347 21.980 1.00 0.00 C ATOM 208 CE LYS A 12 28.077 10.771 23.222 1.00 0.00 C ATOM 209 NZ LYS A 12 27.396 10.304 24.451 1.00 0.00 N ATOM 0 H LYS A 12 26.251 10.013 17.202 1.00 0.00 H new ATOM 0 HA LYS A 12 28.013 11.970 18.317 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.183 10.801 19.516 1.00 0.00 H new ATOM 0 HB3 LYS A 12 27.107 9.315 19.433 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.991 10.407 20.655 1.00 0.00 H new ATOM 0 HG3 LYS A 12 28.087 11.907 20.721 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.281 10.760 22.025 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.188 9.262 21.962 1.00 0.00 H new ATOM 0 HE2 LYS A 12 29.085 10.359 23.179 1.00 0.00 H new ATOM 0 HE3 LYS A 12 28.177 11.856 23.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 27.943 10.600 25.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.443 10.717 24.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 27.323 9.267 24.435 1.00 0.00 H new ATOM 223 N LYS A 13 29.267 9.094 17.391 1.00 0.00 N ATOM 224 CA LYS A 13 30.513 8.396 17.126 1.00 0.00 C ATOM 225 C LYS A 13 31.309 9.165 16.069 1.00 0.00 C ATOM 226 O LYS A 13 32.526 9.304 16.182 1.00 0.00 O ATOM 227 CB LYS A 13 30.241 6.938 16.749 1.00 0.00 C ATOM 228 CG LYS A 13 31.548 6.162 16.574 1.00 0.00 C ATOM 229 CD LYS A 13 31.276 4.681 16.306 1.00 0.00 C ATOM 230 CE LYS A 13 32.583 3.906 16.134 1.00 0.00 C ATOM 231 NZ LYS A 13 32.307 2.471 15.897 1.00 0.00 N ATOM 0 H LYS A 13 28.426 8.588 17.112 1.00 0.00 H new ATOM 0 HA LYS A 13 31.127 8.360 18.026 1.00 0.00 H new ATOM 0 HB2 LYS A 13 29.635 6.466 17.522 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.665 6.899 15.825 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.118 6.586 15.748 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.160 6.266 17.470 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.704 4.258 17.132 1.00 0.00 H new ATOM 0 HD3 LYS A 13 30.666 4.576 15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 13 33.149 4.317 15.298 1.00 0.00 H new ATOM 0 HE3 LYS A 13 33.201 4.021 17.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 33.205 1.959 15.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 31.786 2.079 16.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 31.736 2.365 15.034 1.00 0.00 H new ATOM 245 N LEU A 14 30.589 9.646 15.067 1.00 0.00 N ATOM 246 CA LEU A 14 31.212 10.404 13.995 1.00 0.00 C ATOM 247 C LEU A 14 31.860 11.662 14.576 1.00 0.00 C ATOM 248 O LEU A 14 33.031 11.937 14.319 1.00 0.00 O ATOM 249 CB LEU A 14 30.200 10.692 12.883 1.00 0.00 C ATOM 250 CG LEU A 14 30.757 11.365 11.627 1.00 0.00 C ATOM 251 CD1 LEU A 14 31.711 10.430 10.881 1.00 0.00 C ATOM 252 CD2 LEU A 14 29.625 11.865 10.727 1.00 0.00 C ATOM 0 H LEU A 14 29.580 9.526 14.974 1.00 0.00 H new ATOM 0 HA LEU A 14 32.006 9.821 13.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 29.734 9.751 12.591 1.00 0.00 H new ATOM 0 HB3 LEU A 14 29.412 11.325 13.291 1.00 0.00 H new ATOM 0 HG LEU A 14 31.335 12.237 11.934 1.00 0.00 H new ATOM 0 HD11 LEU A 14 32.093 10.933 9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 14 32.543 10.164 11.533 1.00 0.00 H new ATOM 0 HD13 LEU A 14 31.178 9.526 10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 14 30.047 12.339 9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 14 29.001 11.024 10.426 1.00 0.00 H new ATOM 0 HD23 LEU A 14 29.019 12.589 11.272 1.00 0.00 H new ATOM 264 N ARG A 15 31.070 12.393 15.349 1.00 0.00 N ATOM 265 CA ARG A 15 31.559 13.604 15.987 1.00 0.00 C ATOM 266 C ARG A 15 32.821 13.304 16.798 1.00 0.00 C ATOM 267 O ARG A 15 33.857 13.934 16.596 1.00 0.00 O ATOM 268 CB ARG A 15 30.498 14.206 16.911 1.00 0.00 C ATOM 269 CG ARG A 15 29.692 15.287 16.190 1.00 0.00 C ATOM 270 CD ARG A 15 28.593 15.847 17.094 1.00 0.00 C ATOM 271 NE ARG A 15 27.833 16.896 16.378 1.00 0.00 N ATOM 272 CZ ARG A 15 26.814 17.583 16.913 1.00 0.00 C ATOM 273 NH1 ARG A 15 26.420 17.329 18.168 1.00 0.00 N ATOM 274 NH2 ARG A 15 26.189 18.524 16.192 1.00 0.00 N ATOM 0 H ARG A 15 30.095 12.170 15.548 1.00 0.00 H new ATOM 0 HA ARG A 15 31.791 14.323 15.201 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.828 13.421 17.261 1.00 0.00 H new ATOM 0 HB3 ARG A 15 30.978 14.632 17.792 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.356 16.093 15.877 1.00 0.00 H new ATOM 0 HG3 ARG A 15 29.247 14.871 15.286 1.00 0.00 H new ATOM 0 HD2 ARG A 15 27.921 15.046 17.402 1.00 0.00 H new ATOM 0 HD3 ARG A 15 29.033 16.261 18.001 1.00 0.00 H new ATOM 0 HE ARG A 15 28.101 17.109 15.417 1.00 0.00 H new ATOM 0 HH11 ARG A 15 26.896 16.613 18.717 1.00 0.00 H new ATOM 0 HH12 ARG A 15 25.645 17.852 18.575 1.00 0.00 H new ATOM 0 HH21 ARG A 15 26.489 18.717 15.236 1.00 0.00 H new ATOM 0 HH22 ARG A 15 25.414 19.047 16.599 1.00 0.00 H new ATOM 288 N ASN A 16 32.693 12.341 17.699 1.00 0.00 N ATOM 289 CA ASN A 16 33.789 11.997 18.589 1.00 0.00 C ATOM 290 C ASN A 16 35.034 11.680 17.758 1.00 0.00 C ATOM 291 O ASN A 16 36.124 12.164 18.057 1.00 0.00 O ATOM 292 CB ASN A 16 33.452 10.761 19.426 1.00 0.00 C ATOM 293 CG ASN A 16 34.555 10.473 20.445 1.00 0.00 C ATOM 294 OD1 ASN A 16 35.446 9.669 20.225 1.00 0.00 O ATOM 295 ND2 ASN A 16 34.447 11.171 21.572 1.00 0.00 N ATOM 0 H ASN A 16 31.846 11.788 17.832 1.00 0.00 H new ATOM 0 HA ASN A 16 33.964 12.844 19.252 1.00 0.00 H new ATOM 0 HB2 ASN A 16 32.505 10.915 19.943 1.00 0.00 H new ATOM 0 HB3 ASN A 16 33.322 9.899 18.772 1.00 0.00 H new ATOM 0 HD21 ASN A 16 35.135 11.049 22.315 1.00 0.00 H new ATOM 0 HD22 ASN A 16 33.677 11.828 21.693 1.00 0.00 H new ATOM 302 N ALA A 17 34.829 10.870 16.729 1.00 0.00 N ATOM 303 CA ALA A 17 35.937 10.394 15.919 1.00 0.00 C ATOM 304 C ALA A 17 36.579 11.579 15.195 1.00 0.00 C ATOM 305 O ALA A 17 37.802 11.653 15.080 1.00 0.00 O ATOM 306 CB ALA A 17 35.438 9.320 14.951 1.00 0.00 C ATOM 0 H ALA A 17 33.912 10.532 16.438 1.00 0.00 H new ATOM 0 HA ALA A 17 36.702 9.937 16.546 1.00 0.00 H new ATOM 0 HB1 ALA A 17 36.270 8.963 14.343 1.00 0.00 H new ATOM 0 HB2 ALA A 17 35.018 8.488 15.516 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.670 9.743 14.303 1.00 0.00 H new ATOM 312 N LEU A 18 35.726 12.479 14.727 1.00 0.00 N ATOM 313 CA LEU A 18 36.191 13.629 13.971 1.00 0.00 C ATOM 314 C LEU A 18 37.032 14.525 14.882 1.00 0.00 C ATOM 315 O LEU A 18 38.067 15.042 14.464 1.00 0.00 O ATOM 316 CB LEU A 18 35.012 14.351 13.316 1.00 0.00 C ATOM 317 CG LEU A 18 35.359 15.597 12.497 1.00 0.00 C ATOM 318 CD1 LEU A 18 36.285 15.246 11.330 1.00 0.00 C ATOM 319 CD2 LEU A 18 34.093 16.316 12.028 1.00 0.00 C ATOM 0 H LEU A 18 34.715 12.435 14.857 1.00 0.00 H new ATOM 0 HA LEU A 18 36.836 13.312 13.151 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.495 13.645 12.665 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.308 14.638 14.097 1.00 0.00 H new ATOM 0 HG LEU A 18 35.901 16.289 13.142 1.00 0.00 H new ATOM 0 HD11 LEU A 18 36.516 16.149 10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 18 37.208 14.813 11.715 1.00 0.00 H new ATOM 0 HD13 LEU A 18 35.791 14.526 10.678 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.368 17.197 11.449 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.502 15.644 11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.505 16.620 12.894 1.00 0.00 H new ATOM 331 N LYS A 19 36.556 14.683 16.108 1.00 0.00 N ATOM 332 CA LYS A 19 37.240 15.524 17.074 1.00 0.00 C ATOM 333 C LYS A 19 38.581 14.886 17.440 1.00 0.00 C ATOM 334 O LYS A 19 39.563 15.588 17.676 1.00 0.00 O ATOM 335 CB LYS A 19 36.339 15.797 18.281 1.00 0.00 C ATOM 336 CG LYS A 19 36.987 16.804 19.233 1.00 0.00 C ATOM 337 CD LYS A 19 36.030 17.182 20.365 1.00 0.00 C ATOM 338 CE LYS A 19 36.677 18.190 21.316 1.00 0.00 C ATOM 339 NZ LYS A 19 35.739 18.557 22.400 1.00 0.00 N ATOM 0 H LYS A 19 35.704 14.242 16.454 1.00 0.00 H new ATOM 0 HA LYS A 19 37.458 16.500 16.641 1.00 0.00 H new ATOM 0 HB2 LYS A 19 35.376 16.180 17.942 1.00 0.00 H new ATOM 0 HB3 LYS A 19 36.143 14.865 18.811 1.00 0.00 H new ATOM 0 HG2 LYS A 19 37.900 16.380 19.650 1.00 0.00 H new ATOM 0 HG3 LYS A 19 37.275 17.699 18.681 1.00 0.00 H new ATOM 0 HD2 LYS A 19 35.116 17.605 19.948 1.00 0.00 H new ATOM 0 HD3 LYS A 19 35.743 16.287 20.918 1.00 0.00 H new ATOM 0 HE2 LYS A 19 37.586 17.765 21.742 1.00 0.00 H new ATOM 0 HE3 LYS A 19 36.971 19.083 20.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 36.195 19.242 23.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 34.883 18.982 21.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 35.479 17.705 22.937 1.00 0.00 H new ATOM 353 N LYS A 20 38.580 13.562 17.476 1.00 0.00 N ATOM 354 CA LYS A 20 39.788 12.820 17.796 1.00 0.00 C ATOM 355 C LYS A 20 40.810 13.011 16.674 1.00 0.00 C ATOM 356 O LYS A 20 42.008 13.120 16.932 1.00 0.00 O ATOM 357 CB LYS A 20 39.457 11.355 18.084 1.00 0.00 C ATOM 358 CG LYS A 20 40.630 10.652 18.770 1.00 0.00 C ATOM 359 CD LYS A 20 40.259 9.221 19.162 1.00 0.00 C ATOM 360 CE LYS A 20 41.439 8.511 19.829 1.00 0.00 C ATOM 361 NZ LYS A 20 42.354 7.956 18.807 1.00 0.00 N ATOM 0 H LYS A 20 37.761 12.983 17.289 1.00 0.00 H new ATOM 0 HA LYS A 20 40.241 13.205 18.710 1.00 0.00 H new ATOM 0 HB2 LYS A 20 38.572 11.296 18.718 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.216 10.843 17.152 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.491 10.638 18.102 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.925 11.211 19.658 1.00 0.00 H new ATOM 0 HD2 LYS A 20 39.407 9.236 19.842 1.00 0.00 H new ATOM 0 HD3 LYS A 20 39.950 8.666 18.276 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.979 9.211 20.467 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.073 7.710 20.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.149 7.478 19.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 41.840 7.273 18.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 42.717 8.727 18.211 1.00 0.00 H new ATOM 375 N LYS A 21 40.300 13.045 15.452 1.00 0.00 N ATOM 376 CA LYS A 21 41.154 13.221 14.289 1.00 0.00 C ATOM 377 C LYS A 21 41.746 14.631 14.305 1.00 0.00 C ATOM 378 O LYS A 21 42.927 14.815 14.017 1.00 0.00 O ATOM 379 CB LYS A 21 40.387 12.891 13.006 1.00 0.00 C ATOM 380 CG LYS A 21 40.203 11.380 12.851 1.00 0.00 C ATOM 381 CD LYS A 21 39.285 11.058 11.670 1.00 0.00 C ATOM 382 CE LYS A 21 39.123 9.546 11.499 1.00 0.00 C ATOM 383 NZ LYS A 21 38.283 9.246 10.317 1.00 0.00 N ATOM 0 H LYS A 21 39.306 12.954 15.241 1.00 0.00 H new ATOM 0 HA LYS A 21 41.991 12.523 14.322 1.00 0.00 H new ATOM 0 HB2 LYS A 21 39.413 13.380 13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 21 40.925 13.286 12.144 1.00 0.00 H new ATOM 0 HG2 LYS A 21 41.173 10.905 12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 21 39.782 10.965 13.767 1.00 0.00 H new ATOM 0 HD2 LYS A 21 38.309 11.517 11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 21 39.696 11.489 10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 21 40.102 9.080 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 21 38.669 9.119 12.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 38.183 8.216 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 37.344 9.675 10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 38.732 9.636 9.464 1.00 0.00 H new