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=-0.0038) 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 21.486 9.125 15.938 1.00 0.00 N ATOM 113 CA ARG A 8 22.107 10.082 16.837 1.00 0.00 C ATOM 114 C ARG A 8 23.369 9.482 17.461 1.00 0.00 C ATOM 115 O ARG A 8 24.337 10.194 17.720 1.00 0.00 O ATOM 116 CB ARG A 8 21.144 10.497 17.951 1.00 0.00 C ATOM 117 CG ARG A 8 20.002 11.352 17.397 1.00 0.00 C ATOM 118 CD ARG A 8 19.038 11.766 18.512 1.00 0.00 C ATOM 119 NE ARG A 8 17.942 12.589 17.952 1.00 0.00 N ATOM 120 CZ ARG A 8 16.933 13.089 18.678 1.00 0.00 C ATOM 121 NH1 ARG A 8 16.880 12.863 19.997 1.00 0.00 N ATOM 122 NH2 ARG A 8 15.977 13.816 18.084 1.00 0.00 N ATOM 0 HA ARG A 8 22.370 10.964 16.252 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.737 9.609 18.435 1.00 0.00 H new ATOM 0 HB3 ARG A 8 21.685 11.056 18.715 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.409 12.241 16.914 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.462 10.793 16.633 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.628 10.880 18.997 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.573 12.329 19.277 1.00 0.00 H new ATOM 0 HE ARG A 8 17.956 12.788 16.952 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.608 12.310 20.449 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.112 13.244 20.549 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.018 13.989 17.080 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.209 14.197 18.636 1.00 0.00 H new ATOM 136 N ARG A 9 23.316 8.177 17.684 1.00 0.00 N ATOM 137 CA ARG A 9 24.453 7.467 18.247 1.00 0.00 C ATOM 138 C ARG A 9 25.592 7.396 17.228 1.00 0.00 C ATOM 139 O ARG A 9 26.764 7.462 17.596 1.00 0.00 O ATOM 140 CB ARG A 9 24.065 6.049 18.667 1.00 0.00 C ATOM 141 CG ARG A 9 23.105 6.073 19.859 1.00 0.00 C ATOM 142 CD ARG A 9 22.826 4.657 20.367 1.00 0.00 C ATOM 143 NE ARG A 9 21.932 4.710 21.546 1.00 0.00 N ATOM 144 CZ ARG A 9 21.533 3.631 22.234 1.00 0.00 C ATOM 145 NH1 ARG A 9 21.943 2.411 21.864 1.00 0.00 N ATOM 146 NH2 ARG A 9 20.723 3.774 23.292 1.00 0.00 N ATOM 0 H ARG A 9 22.504 7.593 17.485 1.00 0.00 H new ATOM 0 HA ARG A 9 24.783 8.017 19.129 1.00 0.00 H new ATOM 0 HB2 ARG A 9 23.597 5.533 17.829 1.00 0.00 H new ATOM 0 HB3 ARG A 9 24.961 5.485 18.928 1.00 0.00 H new ATOM 0 HG2 ARG A 9 23.532 6.674 20.662 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.169 6.550 19.567 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.366 4.062 19.578 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.762 4.166 20.632 1.00 0.00 H new ATOM 0 HE ARG A 9 21.599 5.624 21.854 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.559 2.303 21.058 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.639 1.590 22.388 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.411 4.703 23.573 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.419 2.953 23.816 1.00 0.00 H new ATOM 160 N LYS A 10 25.207 7.264 15.967 1.00 0.00 N ATOM 161 CA LYS A 10 26.183 7.174 14.893 1.00 0.00 C ATOM 162 C LYS A 10 26.811 8.550 14.665 1.00 0.00 C ATOM 163 O LYS A 10 27.998 8.651 14.356 1.00 0.00 O ATOM 164 CB LYS A 10 25.544 6.574 13.639 1.00 0.00 C ATOM 165 CG LYS A 10 25.566 5.045 13.690 1.00 0.00 C ATOM 166 CD LYS A 10 24.809 4.446 12.503 1.00 0.00 C ATOM 167 CE LYS A 10 24.798 2.918 12.576 1.00 0.00 C ATOM 168 NZ LYS A 10 26.116 2.371 12.181 1.00 0.00 N ATOM 0 H LYS A 10 24.234 7.217 15.665 1.00 0.00 H new ATOM 0 HA LYS A 10 26.991 6.496 15.167 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.516 6.924 13.548 1.00 0.00 H new ATOM 0 HB3 LYS A 10 26.078 6.920 12.754 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.597 4.692 13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.117 4.702 14.622 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.785 4.821 12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.275 4.766 11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 10 24.554 2.598 13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 10 24.022 2.522 11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.092 1.333 12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.334 2.661 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.849 2.734 12.823 1.00 0.00 H new ATOM 182 N LEU A 11 25.988 9.576 14.827 1.00 0.00 N ATOM 183 CA LEU A 11 26.456 10.943 14.673 1.00 0.00 C ATOM 184 C LEU A 11 27.368 11.301 15.848 1.00 0.00 C ATOM 185 O LEU A 11 28.327 12.054 15.687 1.00 0.00 O ATOM 186 CB LEU A 11 25.273 11.898 14.500 1.00 0.00 C ATOM 187 CG LEU A 11 24.533 11.814 13.163 1.00 0.00 C ATOM 188 CD1 LEU A 11 23.128 12.408 13.277 1.00 0.00 C ATOM 189 CD2 LEU A 11 25.344 12.471 12.046 1.00 0.00 C ATOM 0 H LEU A 11 25.000 9.488 15.063 1.00 0.00 H new ATOM 0 HA LEU A 11 27.051 11.042 13.765 1.00 0.00 H new ATOM 0 HB2 LEU A 11 24.558 11.708 15.301 1.00 0.00 H new ATOM 0 HB3 LEU A 11 25.633 12.918 14.630 1.00 0.00 H new ATOM 0 HG LEU A 11 24.418 10.762 12.901 1.00 0.00 H new ATOM 0 HD11 LEU A 11 22.623 12.336 12.314 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.560 11.857 14.026 1.00 0.00 H new ATOM 0 HD13 LEU A 11 23.198 13.455 13.572 1.00 0.00 H new ATOM 0 HD21 LEU A 11 24.796 12.398 11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 11 25.512 13.521 12.287 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.304 11.964 11.947 1.00 0.00 H new ATOM 201 N LYS A 12 27.038 10.743 17.003 1.00 0.00 N ATOM 202 CA LYS A 12 27.850 10.946 18.191 1.00 0.00 C ATOM 203 C LYS A 12 29.206 10.263 18.001 1.00 0.00 C ATOM 204 O LYS A 12 30.240 10.816 18.369 1.00 0.00 O ATOM 205 CB LYS A 12 27.097 10.482 19.440 1.00 0.00 C ATOM 206 CG LYS A 12 27.905 10.772 20.706 1.00 0.00 C ATOM 207 CD LYS A 12 27.116 10.389 21.960 1.00 0.00 C ATOM 208 CE LYS A 12 27.929 10.663 23.226 1.00 0.00 C ATOM 209 NZ LYS A 12 27.156 10.291 24.431 1.00 0.00 N ATOM 0 H LYS A 12 26.219 10.150 17.142 1.00 0.00 H new ATOM 0 HA LYS A 12 28.046 12.008 18.341 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.133 10.987 19.496 1.00 0.00 H new ATOM 0 HB3 LYS A 12 26.894 9.413 19.371 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.843 10.217 20.678 1.00 0.00 H new ATOM 0 HG3 LYS A 12 28.162 11.831 20.743 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.184 10.953 21.993 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.849 9.333 21.917 1.00 0.00 H new ATOM 0 HE2 LYS A 12 28.861 10.098 23.196 1.00 0.00 H new ATOM 0 HE3 LYS A 12 28.198 11.718 23.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 27.724 10.484 25.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.279 10.849 24.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 26.921 9.279 24.394 1.00 0.00 H new ATOM 223 N LYS A 13 29.155 9.070 17.426 1.00 0.00 N ATOM 224 CA LYS A 13 30.365 8.299 17.195 1.00 0.00 C ATOM 225 C LYS A 13 31.225 9.009 16.147 1.00 0.00 C ATOM 226 O LYS A 13 32.450 9.028 16.253 1.00 0.00 O ATOM 227 CB LYS A 13 30.018 6.854 16.831 1.00 0.00 C ATOM 228 CG LYS A 13 31.283 6.001 16.711 1.00 0.00 C ATOM 229 CD LYS A 13 30.932 4.534 16.461 1.00 0.00 C ATOM 230 CE LYS A 13 32.197 3.679 16.345 1.00 0.00 C ATOM 231 NZ LYS A 13 31.843 2.259 16.123 1.00 0.00 N ATOM 0 H LYS A 13 28.295 8.619 17.113 1.00 0.00 H new ATOM 0 HA LYS A 13 30.959 8.239 18.107 1.00 0.00 H new ATOM 0 HB2 LYS A 13 29.361 6.431 17.591 1.00 0.00 H new ATOM 0 HB3 LYS A 13 29.470 6.834 15.889 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.902 6.375 15.895 1.00 0.00 H new ATOM 0 HG3 LYS A 13 31.872 6.087 17.624 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.310 4.161 17.275 1.00 0.00 H new ATOM 0 HD3 LYS A 13 30.345 4.448 15.547 1.00 0.00 H new ATOM 0 HE2 LYS A 13 32.813 4.040 15.521 1.00 0.00 H new ATOM 0 HE3 LYS A 13 32.792 3.774 17.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 32.712 1.692 16.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 31.274 1.914 16.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 31.294 2.171 15.244 1.00 0.00 H new ATOM 245 N LEU A 14 30.549 9.576 15.160 1.00 0.00 N ATOM 246 CA LEU A 14 31.231 10.321 14.115 1.00 0.00 C ATOM 247 C LEU A 14 31.954 11.518 14.739 1.00 0.00 C ATOM 248 O LEU A 14 33.149 11.709 14.517 1.00 0.00 O ATOM 249 CB LEU A 14 30.254 10.705 13.004 1.00 0.00 C ATOM 250 CG LEU A 14 30.861 11.410 11.790 1.00 0.00 C ATOM 251 CD1 LEU A 14 31.848 10.495 11.062 1.00 0.00 C ATOM 252 CD2 LEU A 14 29.769 11.933 10.854 1.00 0.00 C ATOM 0 H LEU A 14 29.535 9.535 15.061 1.00 0.00 H new ATOM 0 HA LEU A 14 31.990 9.700 13.638 1.00 0.00 H new ATOM 0 HB2 LEU A 14 29.752 9.800 12.660 1.00 0.00 H new ATOM 0 HB3 LEU A 14 29.488 11.353 13.430 1.00 0.00 H new ATOM 0 HG LEU A 14 31.422 12.275 12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 14 32.265 11.020 10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 14 32.653 10.214 11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 14 31.330 9.598 10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 14 30.229 12.430 10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 14 29.160 11.100 10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 14 29.139 12.643 11.390 1.00 0.00 H new ATOM 264 N ARG A 15 31.199 12.290 15.505 1.00 0.00 N ATOM 265 CA ARG A 15 31.764 13.434 16.202 1.00 0.00 C ATOM 266 C ARG A 15 32.993 13.011 17.008 1.00 0.00 C ATOM 267 O ARG A 15 34.073 13.577 16.845 1.00 0.00 O ATOM 268 CB ARG A 15 30.738 14.068 17.144 1.00 0.00 C ATOM 269 CG ARG A 15 30.018 15.235 16.464 1.00 0.00 C ATOM 270 CD ARG A 15 28.959 15.837 17.390 1.00 0.00 C ATOM 271 NE ARG A 15 28.286 16.971 16.717 1.00 0.00 N ATOM 272 CZ ARG A 15 27.339 17.728 17.288 1.00 0.00 C ATOM 273 NH1 ARG A 15 26.926 17.459 18.534 1.00 0.00 N ATOM 274 NH2 ARG A 15 26.805 18.755 16.612 1.00 0.00 N ATOM 0 H ARG A 15 30.201 12.147 15.659 1.00 0.00 H new ATOM 0 HA ARG A 15 32.053 14.169 15.451 1.00 0.00 H new ATOM 0 HB2 ARG A 15 30.010 13.318 17.453 1.00 0.00 H new ATOM 0 HB3 ARG A 15 31.237 14.420 18.047 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.741 16.001 16.186 1.00 0.00 H new ATOM 0 HG3 ARG A 15 29.548 14.891 15.543 1.00 0.00 H new ATOM 0 HD2 ARG A 15 28.226 15.077 17.661 1.00 0.00 H new ATOM 0 HD3 ARG A 15 29.424 16.176 18.316 1.00 0.00 H new ATOM 0 HE ARG A 15 28.560 17.190 15.759 1.00 0.00 H new ATOM 0 HH11 ARG A 15 27.332 16.678 19.048 1.00 0.00 H new ATOM 0 HH12 ARG A 15 26.205 18.036 18.968 1.00 0.00 H new ATOM 0 HH21 ARG A 15 27.119 18.960 15.664 1.00 0.00 H new ATOM 0 HH22 ARG A 15 26.084 19.332 17.046 1.00 0.00 H new ATOM 288 N ASN A 16 32.788 12.018 17.861 1.00 0.00 N ATOM 289 CA ASN A 16 33.845 11.562 18.748 1.00 0.00 C ATOM 290 C ASN A 16 35.084 11.214 17.921 1.00 0.00 C ATOM 291 O ASN A 16 36.195 11.615 18.264 1.00 0.00 O ATOM 292 CB ASN A 16 33.419 10.308 19.514 1.00 0.00 C ATOM 293 CG ASN A 16 34.459 9.932 20.571 1.00 0.00 C ATOM 294 OD1 ASN A 16 35.364 9.146 20.337 1.00 0.00 O ATOM 295 ND2 ASN A 16 34.282 10.533 21.744 1.00 0.00 N ATOM 0 H ASN A 16 31.905 11.516 17.957 1.00 0.00 H new ATOM 0 HA ASN A 16 34.059 12.362 19.457 1.00 0.00 H new ATOM 0 HB2 ASN A 16 32.455 10.480 19.992 1.00 0.00 H new ATOM 0 HB3 ASN A 16 33.287 9.480 18.818 1.00 0.00 H new ATOM 0 HD21 ASN A 16 34.924 10.347 22.514 1.00 0.00 H new ATOM 0 HD22 ASN A 16 33.504 11.180 21.873 1.00 0.00 H new ATOM 302 N ALA A 17 34.851 10.472 16.849 1.00 0.00 N ATOM 303 CA ALA A 17 35.944 9.977 16.030 1.00 0.00 C ATOM 304 C ALA A 17 36.627 11.154 15.332 1.00 0.00 C ATOM 305 O ALA A 17 37.847 11.163 15.171 1.00 0.00 O ATOM 306 CB ALA A 17 35.411 8.941 15.038 1.00 0.00 C ATOM 0 H ALA A 17 33.921 10.201 16.528 1.00 0.00 H new ATOM 0 HA ALA A 17 36.692 9.481 16.649 1.00 0.00 H new ATOM 0 HB1 ALA A 17 36.231 8.570 14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 17 34.963 8.111 15.584 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.659 9.403 14.398 1.00 0.00 H new ATOM 312 N LEU A 18 35.812 12.121 14.936 1.00 0.00 N ATOM 313 CA LEU A 18 36.303 13.239 14.150 1.00 0.00 C ATOM 314 C LEU A 18 37.195 14.121 15.026 1.00 0.00 C ATOM 315 O LEU A 18 38.189 14.669 14.553 1.00 0.00 O ATOM 316 CB LEU A 18 35.138 13.992 13.504 1.00 0.00 C ATOM 317 CG LEU A 18 35.515 15.205 12.650 1.00 0.00 C ATOM 318 CD1 LEU A 18 36.362 14.787 11.447 1.00 0.00 C ATOM 319 CD2 LEU A 18 34.269 15.987 12.230 1.00 0.00 C ATOM 0 H LEU A 18 34.814 12.153 15.145 1.00 0.00 H new ATOM 0 HA LEU A 18 36.919 12.883 13.325 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.580 13.293 12.881 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.463 14.324 14.293 1.00 0.00 H new ATOM 0 HG LEU A 18 36.126 15.874 13.256 1.00 0.00 H new ATOM 0 HD11 LEU A 18 36.616 15.668 10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 18 37.277 14.307 11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 18 35.798 14.088 10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.564 16.844 11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.612 15.340 11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.741 16.335 13.118 1.00 0.00 H new ATOM 331 N LYS A 19 36.805 14.231 16.289 1.00 0.00 N ATOM 332 CA LYS A 19 37.550 15.047 17.232 1.00 0.00 C ATOM 333 C LYS A 19 38.966 14.488 17.378 1.00 0.00 C ATOM 334 O LYS A 19 39.919 15.242 17.563 1.00 0.00 O ATOM 335 CB LYS A 19 36.792 15.159 18.557 1.00 0.00 C ATOM 336 CG LYS A 19 37.436 16.205 19.470 1.00 0.00 C ATOM 337 CD LYS A 19 36.719 16.270 20.820 1.00 0.00 C ATOM 338 CE LYS A 19 37.388 17.286 21.747 1.00 0.00 C ATOM 339 NZ LYS A 19 36.707 17.316 23.061 1.00 0.00 N ATOM 0 H LYS A 19 35.984 13.769 16.680 1.00 0.00 H new ATOM 0 HA LYS A 19 37.648 16.067 16.860 1.00 0.00 H new ATOM 0 HB2 LYS A 19 35.754 15.429 18.364 1.00 0.00 H new ATOM 0 HB3 LYS A 19 36.782 14.191 19.058 1.00 0.00 H new ATOM 0 HG2 LYS A 19 38.487 15.961 19.624 1.00 0.00 H new ATOM 0 HG3 LYS A 19 37.403 17.183 18.989 1.00 0.00 H new ATOM 0 HD2 LYS A 19 35.675 16.543 20.668 1.00 0.00 H new ATOM 0 HD3 LYS A 19 36.726 15.285 21.288 1.00 0.00 H new ATOM 0 HE2 LYS A 19 38.439 17.028 21.881 1.00 0.00 H new ATOM 0 HE3 LYS A 19 37.358 18.276 21.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 37.174 18.011 23.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 35.711 17.584 22.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 36.757 16.374 23.500 1.00 0.00 H new ATOM 353 N LYS A 20 39.058 13.168 17.290 1.00 0.00 N ATOM 354 CA LYS A 20 40.337 12.497 17.446 1.00 0.00 C ATOM 355 C LYS A 20 41.247 12.861 16.272 1.00 0.00 C ATOM 356 O LYS A 20 42.468 12.891 16.415 1.00 0.00 O ATOM 357 CB LYS A 20 40.132 10.990 17.621 1.00 0.00 C ATOM 358 CG LYS A 20 41.403 10.321 18.149 1.00 0.00 C ATOM 359 CD LYS A 20 41.191 8.819 18.345 1.00 0.00 C ATOM 360 CE LYS A 20 42.454 8.154 18.895 1.00 0.00 C ATOM 361 NZ LYS A 20 42.225 6.709 19.117 1.00 0.00 N ATOM 0 H LYS A 20 38.269 12.547 17.113 1.00 0.00 H new ATOM 0 HA LYS A 20 40.837 12.836 18.353 1.00 0.00 H new ATOM 0 HB2 LYS A 20 39.308 10.809 18.311 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.852 10.544 16.667 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.223 10.488 17.451 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.692 10.778 19.096 1.00 0.00 H new ATOM 0 HD2 LYS A 20 40.360 8.652 19.030 1.00 0.00 H new ATOM 0 HD3 LYS A 20 40.918 8.360 17.395 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.279 8.294 18.197 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.744 8.630 19.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.092 6.273 19.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 41.451 6.581 19.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 41.970 6.256 18.216 1.00 0.00 H new ATOM 375 N LYS A 21 40.618 13.129 15.138 1.00 0.00 N ATOM 376 CA LYS A 21 41.357 13.471 13.934 1.00 0.00 C ATOM 377 C LYS A 21 41.833 14.922 14.030 1.00 0.00 C ATOM 378 O LYS A 21 42.995 15.218 13.757 1.00 0.00 O ATOM 379 CB LYS A 21 40.518 13.180 12.689 1.00 0.00 C ATOM 380 CG LYS A 21 40.206 11.686 12.575 1.00 0.00 C ATOM 381 CD LYS A 21 39.490 11.374 11.259 1.00 0.00 C ATOM 382 CE LYS A 21 39.159 9.884 11.155 1.00 0.00 C ATOM 383 NZ LYS A 21 38.471 9.594 9.877 1.00 0.00 N ATOM 0 H LYS A 21 39.604 13.116 15.027 1.00 0.00 H new ATOM 0 HA LYS A 21 42.246 12.848 13.842 1.00 0.00 H new ATOM 0 HB2 LYS A 21 39.588 13.747 12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 21 41.053 13.512 11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 21 41.131 11.112 12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 21 39.583 11.376 13.414 1.00 0.00 H new ATOM 0 HD2 LYS A 21 38.573 11.959 11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 21 40.119 11.670 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 21 40.074 9.296 11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 21 38.526 9.587 11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 38.254 8.578 9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 37.588 10.140 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 39.088 9.859 9.083 1.00 0.00 H new