USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=1 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+ -176:sc= 0 (180deg=-0.0146) 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 21.562 8.611 15.740 1.00 0.00 N ATOM 113 CA ARG A 8 22.056 9.599 16.683 1.00 0.00 C ATOM 114 C ARG A 8 23.355 9.114 17.329 1.00 0.00 C ATOM 115 O ARG A 8 24.273 9.901 17.551 1.00 0.00 O ATOM 116 CB ARG A 8 21.024 9.880 17.777 1.00 0.00 C ATOM 117 CG ARG A 8 19.826 10.650 17.217 1.00 0.00 C ATOM 118 CD ARG A 8 18.800 10.939 18.314 1.00 0.00 C ATOM 119 NE ARG A 8 19.334 11.950 19.254 1.00 0.00 N ATOM 120 CZ ARG A 8 18.730 12.306 20.397 1.00 0.00 C ATOM 121 NH1 ARG A 8 17.530 11.798 20.708 1.00 0.00 N ATOM 122 NH2 ARG A 8 19.328 13.170 21.228 1.00 0.00 N ATOM 0 HA ARG A 8 22.243 10.520 16.131 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.685 8.940 18.212 1.00 0.00 H new ATOM 0 HB3 ARG A 8 21.487 10.454 18.580 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.165 11.587 16.775 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.358 10.073 16.419 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.872 11.298 17.870 1.00 0.00 H new ATOM 0 HD3 ARG A 8 18.562 10.021 18.851 1.00 0.00 H new ATOM 0 HE ARG A 8 20.216 12.404 19.018 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.075 11.140 20.075 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.071 12.069 21.578 1.00 0.00 H new ATOM 0 HH21 ARG A 8 20.242 13.556 20.991 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.870 13.442 22.098 1.00 0.00 H new ATOM 136 N ARG A 9 23.391 7.820 17.611 1.00 0.00 N ATOM 137 CA ARG A 9 24.577 7.213 18.191 1.00 0.00 C ATOM 138 C ARG A 9 25.726 7.226 17.181 1.00 0.00 C ATOM 139 O ARG A 9 26.887 7.382 17.559 1.00 0.00 O ATOM 140 CB ARG A 9 24.302 5.771 18.623 1.00 0.00 C ATOM 141 CG ARG A 9 23.505 5.732 19.928 1.00 0.00 C ATOM 142 CD ARG A 9 23.079 4.303 20.268 1.00 0.00 C ATOM 143 NE ARG A 9 22.337 4.286 21.548 1.00 0.00 N ATOM 144 CZ ARG A 9 21.794 3.187 22.088 1.00 0.00 C ATOM 145 NH1 ARG A 9 21.931 2.002 21.477 1.00 0.00 N ATOM 146 NH2 ARG A 9 21.113 3.271 23.239 1.00 0.00 N ATOM 0 H ARG A 9 22.618 7.175 17.449 1.00 0.00 H new ATOM 0 HA ARG A 9 24.854 7.796 19.069 1.00 0.00 H new ATOM 0 HB2 ARG A 9 23.749 5.252 17.840 1.00 0.00 H new ATOM 0 HB3 ARG A 9 25.245 5.240 18.753 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.109 6.138 20.739 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.623 6.367 19.839 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.454 3.902 19.470 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.957 3.660 20.339 1.00 0.00 H new ATOM 0 HE ARG A 9 22.232 5.167 22.051 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.449 1.937 20.601 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.517 1.165 21.888 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.008 4.172 23.705 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.700 2.434 23.649 1.00 0.00 H new ATOM 160 N LYS A 10 25.364 7.060 15.918 1.00 0.00 N ATOM 161 CA LYS A 10 26.354 7.028 14.854 1.00 0.00 C ATOM 162 C LYS A 10 26.899 8.439 14.628 1.00 0.00 C ATOM 163 O LYS A 10 28.078 8.612 14.323 1.00 0.00 O ATOM 164 CB LYS A 10 25.767 6.386 13.595 1.00 0.00 C ATOM 165 CG LYS A 10 25.883 4.861 13.652 1.00 0.00 C ATOM 166 CD LYS A 10 25.226 4.215 12.430 1.00 0.00 C ATOM 167 CE LYS A 10 25.279 2.690 12.521 1.00 0.00 C ATOM 168 NZ LYS A 10 26.654 2.202 12.271 1.00 0.00 N ATOM 0 H LYS A 10 24.399 6.946 15.607 1.00 0.00 H new ATOM 0 HA LYS A 10 27.199 6.401 15.139 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.720 6.671 13.491 1.00 0.00 H new ATOM 0 HB3 LYS A 10 26.288 6.761 12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.934 4.574 13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.411 4.491 14.562 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.189 4.542 12.355 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.732 4.546 11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 10 24.946 2.367 13.507 1.00 0.00 H new ATOM 0 HE3 LYS A 10 24.594 2.253 11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.658 1.162 12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.984 2.551 11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.287 2.550 13.019 1.00 0.00 H new ATOM 182 N LEU A 11 26.014 9.413 14.786 1.00 0.00 N ATOM 183 CA LEU A 11 26.404 10.806 14.657 1.00 0.00 C ATOM 184 C LEU A 11 27.309 11.189 15.829 1.00 0.00 C ATOM 185 O LEU A 11 28.259 11.953 15.662 1.00 0.00 O ATOM 186 CB LEU A 11 25.169 11.698 14.517 1.00 0.00 C ATOM 187 CG LEU A 11 24.467 11.663 13.158 1.00 0.00 C ATOM 188 CD1 LEU A 11 23.024 12.161 13.273 1.00 0.00 C ATOM 189 CD2 LEU A 11 25.261 12.446 12.111 1.00 0.00 C ATOM 0 H LEU A 11 25.028 9.264 15.002 1.00 0.00 H new ATOM 0 HA LEU A 11 26.982 10.956 13.745 1.00 0.00 H new ATOM 0 HB2 LEU A 11 24.449 11.411 15.283 1.00 0.00 H new ATOM 0 HB3 LEU A 11 25.463 12.727 14.726 1.00 0.00 H new ATOM 0 HG LEU A 11 24.424 10.627 12.822 1.00 0.00 H new ATOM 0 HD11 LEU A 11 22.548 12.126 12.293 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.474 11.525 13.967 1.00 0.00 H new ATOM 0 HD13 LEU A 11 23.021 13.187 13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 11 24.740 12.405 11.154 1.00 0.00 H new ATOM 0 HD22 LEU A 11 25.356 13.484 12.428 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.253 12.007 12.003 1.00 0.00 H new ATOM 201 N LYS A 12 26.984 10.639 16.991 1.00 0.00 N ATOM 202 CA LYS A 12 27.781 10.878 18.181 1.00 0.00 C ATOM 203 C LYS A 12 29.178 10.284 17.980 1.00 0.00 C ATOM 204 O LYS A 12 30.177 10.908 18.334 1.00 0.00 O ATOM 205 CB LYS A 12 27.061 10.350 19.423 1.00 0.00 C ATOM 206 CG LYS A 12 27.843 10.686 20.695 1.00 0.00 C ATOM 207 CD LYS A 12 27.092 10.215 21.941 1.00 0.00 C ATOM 208 CE LYS A 12 27.883 10.533 23.212 1.00 0.00 C ATOM 209 NZ LYS A 12 27.150 10.065 24.410 1.00 0.00 N ATOM 0 H LYS A 12 26.179 10.029 17.132 1.00 0.00 H new ATOM 0 HA LYS A 12 27.909 11.948 18.346 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.063 10.783 19.481 1.00 0.00 H new ATOM 0 HB3 LYS A 12 26.936 9.270 19.343 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.825 10.214 20.658 1.00 0.00 H new ATOM 0 HG3 LYS A 12 28.008 11.762 20.751 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.116 10.698 21.986 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.914 9.141 21.878 1.00 0.00 H new ATOM 0 HE2 LYS A 12 28.862 10.055 23.167 1.00 0.00 H new ATOM 0 HE3 LYS A 12 28.056 11.607 23.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 27.701 10.289 25.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.226 10.540 24.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 27.007 9.037 24.350 1.00 0.00 H new ATOM 223 N LYS A 13 29.201 9.087 17.414 1.00 0.00 N ATOM 224 CA LYS A 13 30.457 8.399 17.167 1.00 0.00 C ATOM 225 C LYS A 13 31.270 9.188 16.138 1.00 0.00 C ATOM 226 O LYS A 13 32.489 9.304 16.262 1.00 0.00 O ATOM 227 CB LYS A 13 30.203 6.945 16.766 1.00 0.00 C ATOM 228 CG LYS A 13 31.519 6.178 16.620 1.00 0.00 C ATOM 229 CD LYS A 13 31.263 4.698 16.332 1.00 0.00 C ATOM 230 CE LYS A 13 32.578 3.932 16.189 1.00 0.00 C ATOM 231 NZ LYS A 13 32.317 2.498 15.930 1.00 0.00 N ATOM 0 H LYS A 13 28.369 8.575 17.119 1.00 0.00 H new ATOM 0 HA LYS A 13 31.052 8.353 18.079 1.00 0.00 H new ATOM 0 HB2 LYS A 13 29.577 6.461 17.516 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.654 6.914 15.825 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.109 6.612 15.813 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.105 6.278 17.533 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.671 4.264 17.138 1.00 0.00 H new ATOM 0 HD3 LYS A 13 30.678 4.598 15.418 1.00 0.00 H new ATOM 0 HE2 LYS A 13 33.165 4.354 15.373 1.00 0.00 H new ATOM 0 HE3 LYS A 13 33.170 4.042 17.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 33.221 1.992 15.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 31.776 2.095 16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 31.771 2.398 15.051 1.00 0.00 H new ATOM 245 N LEU A 14 30.564 9.710 15.147 1.00 0.00 N ATOM 246 CA LEU A 14 31.204 10.492 14.103 1.00 0.00 C ATOM 247 C LEU A 14 31.876 11.716 14.728 1.00 0.00 C ATOM 248 O LEU A 14 33.051 11.980 14.477 1.00 0.00 O ATOM 249 CB LEU A 14 30.200 10.838 13.001 1.00 0.00 C ATOM 250 CG LEU A 14 30.778 11.519 11.758 1.00 0.00 C ATOM 251 CD1 LEU A 14 31.690 10.565 10.984 1.00 0.00 C ATOM 252 CD2 LEU A 14 29.663 12.087 10.878 1.00 0.00 C ATOM 0 H LEU A 14 29.554 9.607 15.044 1.00 0.00 H new ATOM 0 HA LEU A 14 31.988 9.910 13.618 1.00 0.00 H new ATOM 0 HB2 LEU A 14 29.701 9.920 12.690 1.00 0.00 H new ATOM 0 HB3 LEU A 14 29.435 11.488 13.425 1.00 0.00 H new ATOM 0 HG LEU A 14 31.393 12.359 12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 14 32.087 11.074 10.106 1.00 0.00 H new ATOM 0 HD12 LEU A 14 32.514 10.250 11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 14 31.119 9.691 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 14 30.099 12.566 10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 14 29.004 11.280 10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 14 29.090 12.821 11.445 1.00 0.00 H new ATOM 264 N ARG A 15 31.102 12.431 15.532 1.00 0.00 N ATOM 265 CA ARG A 15 31.621 13.593 16.233 1.00 0.00 C ATOM 266 C ARG A 15 32.873 13.217 17.029 1.00 0.00 C ATOM 267 O ARG A 15 33.925 13.834 16.865 1.00 0.00 O ATOM 268 CB ARG A 15 30.575 14.174 17.187 1.00 0.00 C ATOM 269 CG ARG A 15 30.514 15.698 17.070 1.00 0.00 C ATOM 270 CD ARG A 15 29.498 16.283 18.055 1.00 0.00 C ATOM 271 NE ARG A 15 29.442 17.755 17.909 1.00 0.00 N ATOM 272 CZ ARG A 15 28.670 18.554 18.657 1.00 0.00 C ATOM 273 NH1 ARG A 15 27.864 18.027 19.589 1.00 0.00 N ATOM 274 NH2 ARG A 15 28.705 19.881 18.475 1.00 0.00 N ATOM 0 H ARG A 15 30.119 12.228 15.713 1.00 0.00 H new ATOM 0 HA ARG A 15 31.873 14.346 15.486 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.597 13.749 16.963 1.00 0.00 H new ATOM 0 HB3 ARG A 15 30.817 13.894 18.212 1.00 0.00 H new ATOM 0 HG2 ARG A 15 31.500 16.121 17.264 1.00 0.00 H new ATOM 0 HG3 ARG A 15 30.242 15.978 16.052 1.00 0.00 H new ATOM 0 HD2 ARG A 15 28.513 15.853 17.872 1.00 0.00 H new ATOM 0 HD3 ARG A 15 29.776 16.021 19.076 1.00 0.00 H new ATOM 0 HE ARG A 15 30.028 18.188 17.195 1.00 0.00 H new ATOM 0 HH11 ARG A 15 27.838 17.017 19.729 1.00 0.00 H new ATOM 0 HH12 ARG A 15 27.276 18.636 20.158 1.00 0.00 H new ATOM 0 HH21 ARG A 15 29.320 20.283 17.767 1.00 0.00 H new ATOM 0 HH22 ARG A 15 28.117 20.490 19.045 1.00 0.00 H new ATOM 288 N ASN A 16 32.719 12.207 17.872 1.00 0.00 N ATOM 289 CA ASN A 16 33.791 11.810 18.768 1.00 0.00 C ATOM 290 C ASN A 16 35.049 11.511 17.951 1.00 0.00 C ATOM 291 O ASN A 16 36.143 11.949 18.304 1.00 0.00 O ATOM 292 CB ASN A 16 33.420 10.546 19.545 1.00 0.00 C ATOM 293 CG ASN A 16 34.478 10.221 20.602 1.00 0.00 C ATOM 294 OD1 ASN A 16 34.535 10.818 21.664 1.00 0.00 O ATOM 295 ND2 ASN A 16 35.310 9.244 20.252 1.00 0.00 N ATOM 0 H ASN A 16 31.867 11.651 17.953 1.00 0.00 H new ATOM 0 HA ASN A 16 33.963 12.626 19.469 1.00 0.00 H new ATOM 0 HB2 ASN A 16 32.451 10.681 20.025 1.00 0.00 H new ATOM 0 HB3 ASN A 16 33.320 9.707 18.856 1.00 0.00 H new ATOM 0 HD21 ASN A 16 36.052 8.953 20.889 1.00 0.00 H new ATOM 0 HD22 ASN A 16 35.206 8.786 19.347 1.00 0.00 H new ATOM 302 N ALA A 17 34.853 10.767 16.872 1.00 0.00 N ATOM 303 CA ALA A 17 35.966 10.348 16.038 1.00 0.00 C ATOM 304 C ALA A 17 36.594 11.577 15.376 1.00 0.00 C ATOM 305 O ALA A 17 37.815 11.676 15.276 1.00 0.00 O ATOM 306 CB ALA A 17 35.479 9.319 15.016 1.00 0.00 C ATOM 0 H ALA A 17 33.939 10.443 16.556 1.00 0.00 H new ATOM 0 HA ALA A 17 36.738 9.869 16.640 1.00 0.00 H new ATOM 0 HB1 ALA A 17 36.314 9.005 14.390 1.00 0.00 H new ATOM 0 HB2 ALA A 17 35.070 8.454 15.538 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.705 9.765 14.391 1.00 0.00 H new ATOM 312 N LEU A 18 35.729 12.481 14.942 1.00 0.00 N ATOM 313 CA LEU A 18 36.176 13.651 14.205 1.00 0.00 C ATOM 314 C LEU A 18 37.044 14.521 15.115 1.00 0.00 C ATOM 315 O LEU A 18 38.040 15.089 14.671 1.00 0.00 O ATOM 316 CB LEU A 18 34.982 14.393 13.602 1.00 0.00 C ATOM 317 CG LEU A 18 35.306 15.680 12.842 1.00 0.00 C ATOM 318 CD1 LEU A 18 36.200 15.393 11.633 1.00 0.00 C ATOM 319 CD2 LEU A 18 34.027 16.421 12.445 1.00 0.00 C ATOM 0 H LEU A 18 34.721 12.427 15.086 1.00 0.00 H new ATOM 0 HA LEU A 18 36.797 13.354 13.360 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.463 13.715 12.924 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.286 14.635 14.406 1.00 0.00 H new ATOM 0 HG LEU A 18 35.865 16.337 13.508 1.00 0.00 H new ATOM 0 HD11 LEU A 18 36.415 16.325 11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 18 37.133 14.942 11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 18 35.689 14.708 10.957 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.287 17.332 11.906 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.420 15.781 11.805 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.462 16.678 13.341 1.00 0.00 H new ATOM 331 N LYS A 19 36.635 14.598 16.373 1.00 0.00 N ATOM 332 CA LYS A 19 37.335 15.426 17.339 1.00 0.00 C ATOM 333 C LYS A 19 38.739 14.863 17.565 1.00 0.00 C ATOM 334 O LYS A 19 39.708 15.616 17.651 1.00 0.00 O ATOM 335 CB LYS A 19 36.513 15.564 18.623 1.00 0.00 C ATOM 336 CG LYS A 19 35.299 16.469 18.402 1.00 0.00 C ATOM 337 CD LYS A 19 34.305 16.345 19.558 1.00 0.00 C ATOM 338 CE LYS A 19 34.887 16.932 20.846 1.00 0.00 C ATOM 339 NZ LYS A 19 33.862 16.955 21.914 1.00 0.00 N ATOM 0 H LYS A 19 35.827 14.100 16.745 1.00 0.00 H new ATOM 0 HA LYS A 19 37.456 16.439 16.955 1.00 0.00 H new ATOM 0 HB2 LYS A 19 36.182 14.580 18.955 1.00 0.00 H new ATOM 0 HB3 LYS A 19 37.137 15.974 19.417 1.00 0.00 H new ATOM 0 HG2 LYS A 19 35.625 17.505 18.308 1.00 0.00 H new ATOM 0 HG3 LYS A 19 34.808 16.203 17.466 1.00 0.00 H new ATOM 0 HD2 LYS A 19 33.380 16.862 19.304 1.00 0.00 H new ATOM 0 HD3 LYS A 19 34.052 15.296 19.714 1.00 0.00 H new ATOM 0 HE2 LYS A 19 35.743 16.340 21.168 1.00 0.00 H new ATOM 0 HE3 LYS A 19 35.250 17.943 20.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 34.273 17.356 22.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 33.057 17.539 21.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 33.535 15.986 22.102 1.00 0.00 H new ATOM 353 N LYS A 20 38.804 13.543 17.656 1.00 0.00 N ATOM 354 CA LYS A 20 40.069 12.872 17.908 1.00 0.00 C ATOM 355 C LYS A 20 40.978 13.034 16.688 1.00 0.00 C ATOM 356 O LYS A 20 42.192 13.182 16.830 1.00 0.00 O ATOM 357 CB LYS A 20 39.831 11.414 18.308 1.00 0.00 C ATOM 358 CG LYS A 20 39.231 11.323 19.712 1.00 0.00 C ATOM 359 CD LYS A 20 39.228 9.877 20.214 1.00 0.00 C ATOM 360 CE LYS A 20 40.551 9.532 20.901 1.00 0.00 C ATOM 361 NZ LYS A 20 40.711 8.065 21.012 1.00 0.00 N ATOM 0 H LYS A 20 38.002 12.920 17.560 1.00 0.00 H new ATOM 0 HA LYS A 20 40.583 13.331 18.753 1.00 0.00 H new ATOM 0 HB2 LYS A 20 39.161 10.941 17.591 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.772 10.865 18.274 1.00 0.00 H new ATOM 0 HG2 LYS A 20 39.803 11.948 20.397 1.00 0.00 H new ATOM 0 HG3 LYS A 20 38.212 11.710 19.702 1.00 0.00 H new ATOM 0 HD2 LYS A 20 38.403 9.732 20.912 1.00 0.00 H new ATOM 0 HD3 LYS A 20 39.061 9.198 19.378 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.382 9.952 20.335 1.00 0.00 H new ATOM 0 HE3 LYS A 20 40.581 9.983 21.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 41.614 7.849 21.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 39.928 7.672 21.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 40.704 7.642 20.062 1.00 0.00 H new ATOM 375 N LYS A 21 40.358 13.003 15.518 1.00 0.00 N ATOM 376 CA LYS A 21 41.097 13.144 14.275 1.00 0.00 C ATOM 377 C LYS A 21 41.580 14.589 14.136 1.00 0.00 C ATOM 378 O LYS A 21 42.661 14.837 13.603 1.00 0.00 O ATOM 379 CB LYS A 21 40.254 12.661 13.092 1.00 0.00 C ATOM 380 CG LYS A 21 40.129 11.136 13.096 1.00 0.00 C ATOM 381 CD LYS A 21 39.069 10.671 12.095 1.00 0.00 C ATOM 382 CE LYS A 21 38.885 9.154 12.156 1.00 0.00 C ATOM 383 NZ LYS A 21 40.017 8.468 11.493 1.00 0.00 N ATOM 0 H LYS A 21 39.352 12.882 15.404 1.00 0.00 H new ATOM 0 HA LYS A 21 41.983 12.510 14.285 1.00 0.00 H new ATOM 0 HB2 LYS A 21 39.262 13.111 13.139 1.00 0.00 H new ATOM 0 HB3 LYS A 21 40.709 12.990 12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 21 41.091 10.688 12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 21 39.866 10.792 14.096 1.00 0.00 H new ATOM 0 HD2 LYS A 21 38.121 11.165 12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 21 39.362 10.965 11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 21 38.815 8.832 13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 21 37.949 8.875 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 39.877 7.439 11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 40.066 8.763 10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 40.905 8.720 11.973 1.00 0.00 H new