USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 138 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 Set 1.1: A 17 HIS : no HE2:sc= -1.8 K(o=-2.9,f=-6.2!) USER MOD Set 1.2: A 21 HIS : no HE2:sc= -2.49 K(o=-2.9,f=-3.5) USER MOD Set 1.3: A 22 SER OG : rot 58:sc= 1.36 USER MOD Single : A 10 THR OG1 : rot -40:sc= 0.00305 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.832 USER MOD ----------------------------------------------------------------- ATOM 145 N GLY A 8 -0.297 -0.720 -10.119 1.00 43.40 N ATOM 146 CA GLY A 8 -1.619 -1.276 -9.897 1.00 4.43 C ATOM 147 C GLY A 8 -2.702 -0.504 -10.624 1.00 0.25 C ATOM 148 O GLY A 8 -3.798 -1.019 -10.847 1.00 45.23 O ATOM 0 HA2 GLY A 8 -1.633 -2.315 -10.228 1.00 4.43 H new ATOM 0 HA3 GLY A 8 -1.834 -1.279 -8.828 1.00 4.43 H new ATOM 152 N VAL A 9 -2.397 0.736 -10.992 1.00 51.41 N ATOM 153 CA VAL A 9 -3.353 1.581 -11.697 1.00 54.33 C ATOM 154 C VAL A 9 -3.204 1.438 -13.208 1.00 32.13 C ATOM 155 O VAL A 9 -4.066 1.872 -13.973 1.00 34.34 O ATOM 156 CB VAL A 9 -3.182 3.063 -11.314 1.00 55.30 C ATOM 157 CG1 VAL A 9 -4.236 3.918 -12.002 1.00 30.10 C ATOM 158 CG2 VAL A 9 -3.249 3.234 -9.804 1.00 22.42 C ATOM 0 H VAL A 9 -1.495 1.178 -10.814 1.00 51.41 H new ATOM 0 HA VAL A 9 -4.348 1.249 -11.400 1.00 54.33 H new ATOM 0 HB VAL A 9 -2.201 3.396 -11.652 1.00 55.30 H new ATOM 0 HG11 VAL A 9 -4.099 4.962 -11.719 1.00 30.10 H new ATOM 0 HG12 VAL A 9 -4.136 3.819 -13.083 1.00 30.10 H new ATOM 0 HG13 VAL A 9 -5.229 3.587 -11.697 1.00 30.10 H new ATOM 0 HG21 VAL A 9 -3.126 4.287 -9.551 1.00 22.42 H new ATOM 0 HG22 VAL A 9 -4.215 2.884 -9.441 1.00 22.42 H new ATOM 0 HG23 VAL A 9 -2.454 2.654 -9.336 1.00 22.42 H new ATOM 168 N THR A 10 -2.103 0.825 -13.633 1.00 14.23 N ATOM 169 CA THR A 10 -1.840 0.625 -15.052 1.00 21.50 C ATOM 170 C THR A 10 -2.973 -0.148 -15.718 1.00 20.03 C ATOM 171 O THR A 10 -3.089 -0.167 -16.943 1.00 71.53 O ATOM 172 CB THR A 10 -0.517 -0.132 -15.276 1.00 40.13 C ATOM 173 OG1 THR A 10 -0.016 0.137 -16.590 1.00 63.04 O ATOM 174 CG2 THR A 10 -0.713 -1.630 -15.100 1.00 15.04 C ATOM 0 H THR A 10 -1.380 0.459 -13.014 1.00 14.23 H new ATOM 0 HA THR A 10 -1.765 1.615 -15.502 1.00 21.50 H new ATOM 0 HB THR A 10 0.203 0.213 -14.534 1.00 40.13 H new ATOM 0 HG1 THR A 10 -0.760 0.150 -17.227 1.00 63.04 H new ATOM 0 HG21 THR A 10 0.235 -2.143 -15.263 1.00 15.04 H new ATOM 0 HG22 THR A 10 -1.067 -1.834 -14.089 1.00 15.04 H new ATOM 0 HG23 THR A 10 -1.448 -1.988 -15.821 1.00 15.04 H new ATOM 182 N LYS A 11 -3.808 -0.784 -14.903 1.00 1.22 N ATOM 183 CA LYS A 11 -4.934 -1.557 -15.412 1.00 73.10 C ATOM 184 C LYS A 11 -5.755 -0.736 -16.402 1.00 23.21 C ATOM 185 O LYS A 11 -6.192 -1.247 -17.433 1.00 54.42 O ATOM 186 CB LYS A 11 -5.825 -2.021 -14.257 1.00 24.20 C ATOM 187 CG LYS A 11 -7.245 -1.488 -14.331 1.00 43.23 C ATOM 188 CD LYS A 11 -8.095 -2.002 -13.181 1.00 65.25 C ATOM 189 CE LYS A 11 -9.425 -1.270 -13.101 1.00 33.11 C ATOM 190 NZ LYS A 11 -10.110 -1.505 -11.800 1.00 21.45 N ATOM 0 H LYS A 11 -3.726 -0.779 -13.886 1.00 1.22 H new ATOM 0 HA LYS A 11 -4.538 -2.430 -15.931 1.00 73.10 H new ATOM 0 HB2 LYS A 11 -5.855 -3.111 -14.248 1.00 24.20 H new ATOM 0 HB3 LYS A 11 -5.377 -1.706 -13.315 1.00 24.20 H new ATOM 0 HG2 LYS A 11 -7.227 -0.398 -14.312 1.00 43.23 H new ATOM 0 HG3 LYS A 11 -7.696 -1.783 -15.278 1.00 43.23 H new ATOM 0 HD2 LYS A 11 -8.273 -3.070 -13.308 1.00 65.25 H new ATOM 0 HD3 LYS A 11 -7.553 -1.878 -12.243 1.00 65.25 H new ATOM 0 HE2 LYS A 11 -9.260 -0.201 -13.237 1.00 33.11 H new ATOM 0 HE3 LYS A 11 -10.070 -1.599 -13.916 1.00 33.11 H new ATOM 0 HZ1 LYS A 11 -11.013 -0.989 -11.785 1.00 21.45 H new ATOM 0 HZ2 LYS A 11 -10.291 -2.522 -11.682 1.00 21.45 H new ATOM 0 HZ3 LYS A 11 -9.506 -1.168 -11.024 1.00 21.45 H new ATOM 204 N ARG A 12 -5.958 0.538 -16.082 1.00 21.40 N ATOM 205 CA ARG A 12 -6.725 1.429 -16.944 1.00 34.33 C ATOM 206 C ARG A 12 -5.846 2.007 -18.049 1.00 32.41 C ATOM 207 O ARG A 12 -6.344 2.455 -19.082 1.00 33.44 O ATOM 208 CB ARG A 12 -7.341 2.563 -16.122 1.00 21.53 C ATOM 209 CG ARG A 12 -6.380 3.178 -15.117 1.00 72.24 C ATOM 210 CD ARG A 12 -6.550 4.687 -15.036 1.00 33.30 C ATOM 211 NE ARG A 12 -7.954 5.074 -14.925 1.00 10.11 N ATOM 212 CZ ARG A 12 -8.403 6.295 -15.194 1.00 30.01 C ATOM 213 NH1 ARG A 12 -7.563 7.242 -15.588 1.00 61.11 N ATOM 214 NH2 ARG A 12 -9.695 6.571 -15.069 1.00 60.53 N ATOM 0 H ARG A 12 -5.602 0.976 -15.232 1.00 21.40 H new ATOM 0 HA ARG A 12 -7.524 0.848 -17.405 1.00 34.33 H new ATOM 0 HB2 ARG A 12 -7.693 3.341 -16.799 1.00 21.53 H new ATOM 0 HB3 ARG A 12 -8.214 2.183 -15.592 1.00 21.53 H new ATOM 0 HG2 ARG A 12 -6.549 2.738 -14.134 1.00 72.24 H new ATOM 0 HG3 ARG A 12 -5.354 2.941 -15.400 1.00 72.24 H new ATOM 0 HD2 ARG A 12 -6.000 5.068 -14.176 1.00 33.30 H new ATOM 0 HD3 ARG A 12 -6.116 5.149 -15.923 1.00 33.30 H new ATOM 0 HE ARG A 12 -8.626 4.368 -14.625 1.00 10.11 H new ATOM 0 HH11 ARG A 12 -6.569 7.034 -15.685 1.00 61.11 H new ATOM 0 HH12 ARG A 12 -7.911 8.179 -15.794 1.00 61.11 H new ATOM 0 HH21 ARG A 12 -10.345 5.845 -14.766 1.00 60.53 H new ATOM 0 HH22 ARG A 12 -10.038 7.509 -15.276 1.00 60.53 H new ATOM 228 N SER A 13 -4.536 1.993 -17.824 1.00 13.31 N ATOM 229 CA SER A 13 -3.588 2.520 -18.798 1.00 61.14 C ATOM 230 C SER A 13 -3.270 1.477 -19.865 1.00 61.24 C ATOM 231 O SER A 13 -2.776 1.806 -20.945 1.00 14.21 O ATOM 232 CB SER A 13 -2.300 2.961 -18.101 1.00 1.51 C ATOM 233 OG SER A 13 -2.136 4.367 -18.176 1.00 4.05 O ATOM 0 H SER A 13 -4.107 1.622 -16.976 1.00 13.31 H new ATOM 0 HA SER A 13 -4.045 3.383 -19.282 1.00 61.14 H new ATOM 0 HB2 SER A 13 -2.323 2.649 -17.057 1.00 1.51 H new ATOM 0 HB3 SER A 13 -1.445 2.467 -18.563 1.00 1.51 H new ATOM 0 HG SER A 13 -1.307 4.624 -17.722 1.00 4.05 H new ATOM 239 N LEU A 14 -3.556 0.217 -19.556 1.00 11.11 N ATOM 240 CA LEU A 14 -3.301 -0.876 -20.487 1.00 73.43 C ATOM 241 C LEU A 14 -4.582 -1.289 -21.206 1.00 42.12 C ATOM 242 O LEU A 14 -4.545 -1.738 -22.352 1.00 32.34 O ATOM 243 CB LEU A 14 -2.710 -2.077 -19.746 1.00 1.31 C ATOM 244 CG LEU A 14 -3.596 -2.704 -18.669 1.00 53.14 C ATOM 245 CD1 LEU A 14 -4.459 -3.807 -19.264 1.00 3.53 C ATOM 246 CD2 LEU A 14 -2.747 -3.245 -17.528 1.00 54.11 C ATOM 0 H LEU A 14 -3.965 -0.073 -18.668 1.00 11.11 H new ATOM 0 HA LEU A 14 -2.584 -0.527 -21.230 1.00 73.43 H new ATOM 0 HB2 LEU A 14 -2.464 -2.846 -20.479 1.00 1.31 H new ATOM 0 HB3 LEU A 14 -1.773 -1.767 -19.283 1.00 1.31 H new ATOM 0 HG LEU A 14 -4.253 -1.931 -18.271 1.00 53.14 H new ATOM 0 HD11 LEU A 14 -5.083 -4.242 -18.483 1.00 3.53 H new ATOM 0 HD12 LEU A 14 -5.094 -3.390 -20.046 1.00 3.53 H new ATOM 0 HD13 LEU A 14 -3.819 -4.580 -19.690 1.00 3.53 H new ATOM 0 HD21 LEU A 14 -3.394 -3.687 -16.771 1.00 54.11 H new ATOM 0 HD22 LEU A 14 -2.065 -4.004 -17.910 1.00 54.11 H new ATOM 0 HD23 LEU A 14 -2.173 -2.432 -17.084 1.00 54.11 H new ATOM 258 N SER A 15 -5.713 -1.131 -20.526 1.00 51.15 N ATOM 259 CA SER A 15 -7.005 -1.488 -21.100 1.00 34.34 C ATOM 260 C SER A 15 -6.994 -1.317 -22.616 1.00 4.45 C ATOM 261 O SER A 15 -7.249 -2.252 -23.374 1.00 32.20 O ATOM 262 CB SER A 15 -8.114 -0.630 -20.486 1.00 61.54 C ATOM 263 OG SER A 15 -8.944 -0.075 -21.492 1.00 32.34 O ATOM 0 H SER A 15 -5.761 -0.758 -19.578 1.00 51.15 H new ATOM 0 HA SER A 15 -7.198 -2.536 -20.873 1.00 34.34 H new ATOM 0 HB2 SER A 15 -8.715 -1.237 -19.808 1.00 61.54 H new ATOM 0 HB3 SER A 15 -7.673 0.170 -19.892 1.00 61.54 H new ATOM 0 HG SER A 15 -9.646 0.467 -21.075 1.00 32.34 H new ATOM 269 N PRO A 16 -6.690 -0.091 -23.069 1.00 23.40 N ATOM 270 CA PRO A 16 -6.636 0.233 -24.497 1.00 54.35 C ATOM 271 C PRO A 16 -5.454 -0.426 -25.198 1.00 65.21 C ATOM 272 O PRO A 16 -4.640 0.247 -25.832 1.00 53.10 O ATOM 273 CB PRO A 16 -6.484 1.756 -24.510 1.00 3.34 C ATOM 274 CG PRO A 16 -5.850 2.084 -23.202 1.00 25.11 C ATOM 275 CD PRO A 16 -6.374 1.071 -22.222 1.00 52.10 C ATOM 0 HA PRO A 16 -7.517 -0.126 -25.029 1.00 54.35 H new ATOM 0 HB2 PRO A 16 -5.864 2.085 -25.344 1.00 3.34 H new ATOM 0 HB3 PRO A 16 -7.450 2.249 -24.617 1.00 3.34 H new ATOM 0 HG2 PRO A 16 -4.763 2.034 -23.272 1.00 25.11 H new ATOM 0 HG3 PRO A 16 -6.103 3.097 -22.889 1.00 25.11 H new ATOM 0 HD2 PRO A 16 -5.632 0.825 -21.463 1.00 52.10 H new ATOM 0 HD3 PRO A 16 -7.256 1.438 -21.698 1.00 52.10 H new ATOM 283 N HIS A 17 -5.363 -1.747 -25.080 1.00 73.24 N ATOM 284 CA HIS A 17 -4.279 -2.498 -25.704 1.00 74.11 C ATOM 285 C HIS A 17 -4.805 -3.776 -26.350 1.00 74.31 C ATOM 286 O HIS A 17 -6.014 -3.952 -26.508 1.00 3.43 O ATOM 287 CB HIS A 17 -3.206 -2.840 -24.670 1.00 14.22 C ATOM 288 CG HIS A 17 -3.591 -3.962 -23.756 1.00 15.14 C ATOM 289 ND1 HIS A 17 -2.671 -4.806 -23.170 1.00 50.54 N ATOM 290 CD2 HIS A 17 -4.806 -4.376 -23.325 1.00 71.12 C ATOM 291 CE1 HIS A 17 -3.303 -5.691 -22.421 1.00 61.21 C ATOM 292 NE2 HIS A 17 -4.600 -5.452 -22.497 1.00 63.14 N ATOM 0 H HIS A 17 -6.027 -2.319 -24.558 1.00 73.24 H new ATOM 0 HA HIS A 17 -3.838 -1.874 -26.481 1.00 74.11 H new ATOM 0 HB2 HIS A 17 -2.285 -3.105 -25.189 1.00 14.22 H new ATOM 0 HB3 HIS A 17 -2.992 -1.953 -24.073 1.00 14.22 H new ATOM 0 HD1 HIS A 17 -1.660 -4.755 -23.296 1.00 50.54 H new ATOM 0 HD2 HIS A 17 -5.760 -3.941 -23.584 1.00 71.12 H new ATOM 0 HE1 HIS A 17 -2.838 -6.477 -21.844 1.00 61.21 H new ATOM 300 N ARG A 18 -3.890 -4.665 -26.723 1.00 34.25 N ATOM 301 CA ARG A 18 -4.262 -5.926 -27.353 1.00 52.02 C ATOM 302 C ARG A 18 -5.392 -6.606 -26.585 1.00 51.42 C ATOM 303 O ARG A 18 -5.193 -7.171 -25.510 1.00 65.20 O ATOM 304 CB ARG A 18 -3.052 -6.858 -27.432 1.00 23.15 C ATOM 305 CG ARG A 18 -2.214 -6.664 -28.685 1.00 20.41 C ATOM 306 CD ARG A 18 -1.227 -7.805 -28.877 1.00 73.43 C ATOM 307 NE ARG A 18 -1.715 -8.795 -29.834 1.00 70.20 N ATOM 308 CZ ARG A 18 -0.949 -9.740 -30.369 1.00 14.20 C ATOM 309 NH1 ARG A 18 0.333 -9.822 -30.042 1.00 71.50 N ATOM 310 NH2 ARG A 18 -1.466 -10.604 -31.233 1.00 33.55 N ATOM 0 H ARG A 18 -2.886 -4.535 -26.600 1.00 34.25 H new ATOM 0 HA ARG A 18 -4.611 -5.709 -28.362 1.00 52.02 H new ATOM 0 HB2 ARG A 18 -2.423 -6.698 -26.556 1.00 23.15 H new ATOM 0 HB3 ARG A 18 -3.397 -7.891 -27.392 1.00 23.15 H new ATOM 0 HG2 ARG A 18 -2.868 -6.597 -29.555 1.00 20.41 H new ATOM 0 HG3 ARG A 18 -1.673 -5.720 -28.620 1.00 20.41 H new ATOM 0 HD2 ARG A 18 -0.274 -7.405 -29.223 1.00 73.43 H new ATOM 0 HD3 ARG A 18 -1.041 -8.289 -27.918 1.00 73.43 H new ATOM 0 HE ARG A 18 -2.697 -8.759 -30.106 1.00 70.20 H new ATOM 0 HH11 ARG A 18 0.733 -9.159 -29.378 1.00 71.50 H new ATOM 0 HH12 ARG A 18 0.919 -10.548 -30.454 1.00 71.50 H new ATOM 0 HH21 ARG A 18 -2.452 -10.543 -31.487 1.00 33.55 H new ATOM 0 HH22 ARG A 18 -0.877 -11.329 -31.643 1.00 33.55 H new ATOM 324 N PRO A 19 -6.608 -6.549 -27.148 1.00 72.44 N ATOM 325 CA PRO A 19 -7.794 -7.154 -26.534 1.00 22.01 C ATOM 326 C PRO A 19 -7.746 -8.678 -26.558 1.00 4.15 C ATOM 327 O PRO A 19 -8.655 -9.345 -26.063 1.00 5.23 O ATOM 328 CB PRO A 19 -8.944 -6.642 -27.404 1.00 14.21 C ATOM 329 CG PRO A 19 -8.320 -6.351 -28.725 1.00 11.12 C ATOM 330 CD PRO A 19 -6.919 -5.892 -28.429 1.00 12.34 C ATOM 0 HA PRO A 19 -7.887 -6.889 -25.481 1.00 22.01 H new ATOM 0 HB2 PRO A 19 -9.734 -7.388 -27.495 1.00 14.21 H new ATOM 0 HB3 PRO A 19 -9.397 -5.748 -26.975 1.00 14.21 H new ATOM 0 HG2 PRO A 19 -8.314 -7.238 -29.358 1.00 11.12 H new ATOM 0 HG3 PRO A 19 -8.878 -5.582 -29.259 1.00 11.12 H new ATOM 0 HD2 PRO A 19 -6.224 -6.192 -29.213 1.00 12.34 H new ATOM 0 HD3 PRO A 19 -6.860 -4.807 -28.349 1.00 12.34 H new ATOM 338 N ARG A 20 -6.680 -9.223 -27.135 1.00 41.21 N ATOM 339 CA ARG A 20 -6.514 -10.669 -27.223 1.00 52.55 C ATOM 340 C ARG A 20 -6.447 -11.294 -25.833 1.00 61.13 C ATOM 341 O ARG A 20 -7.336 -12.048 -25.436 1.00 52.14 O ATOM 342 CB ARG A 20 -5.248 -11.011 -28.010 1.00 42.03 C ATOM 343 CG ARG A 20 -4.619 -12.334 -27.606 1.00 63.30 C ATOM 344 CD ARG A 20 -5.604 -13.484 -27.744 1.00 22.55 C ATOM 345 NE ARG A 20 -5.869 -14.134 -26.463 1.00 21.23 N ATOM 346 CZ ARG A 20 -6.655 -15.197 -26.326 1.00 44.43 C ATOM 347 NH1 ARG A 20 -7.249 -15.726 -27.387 1.00 23.45 N ATOM 348 NH2 ARG A 20 -6.847 -15.732 -25.127 1.00 43.52 N ATOM 0 H ARG A 20 -5.918 -8.685 -27.549 1.00 41.21 H new ATOM 0 HA ARG A 20 -7.379 -11.078 -27.745 1.00 52.55 H new ATOM 0 HB2 ARG A 20 -5.488 -11.042 -29.073 1.00 42.03 H new ATOM 0 HB3 ARG A 20 -4.518 -10.214 -27.871 1.00 42.03 H new ATOM 0 HG2 ARG A 20 -3.744 -12.527 -28.227 1.00 63.30 H new ATOM 0 HG3 ARG A 20 -4.271 -12.273 -26.575 1.00 63.30 H new ATOM 0 HD2 ARG A 20 -6.539 -13.112 -28.162 1.00 22.55 H new ATOM 0 HD3 ARG A 20 -5.209 -14.217 -28.448 1.00 22.55 H new ATOM 0 HE ARG A 20 -5.426 -13.751 -25.628 1.00 21.23 H new ATOM 0 HH11 ARG A 20 -7.103 -15.317 -28.310 1.00 23.45 H new ATOM 0 HH12 ARG A 20 -7.852 -16.542 -27.280 1.00 23.45 H new ATOM 0 HH21 ARG A 20 -6.391 -15.327 -24.309 1.00 43.52 H new ATOM 0 HH22 ARG A 20 -7.450 -16.548 -25.023 1.00 43.52 H new ATOM 362 N HIS A 21 -5.386 -10.977 -25.098 1.00 11.42 N ATOM 363 CA HIS A 21 -5.203 -11.507 -23.752 1.00 24.43 C ATOM 364 C HIS A 21 -5.869 -10.606 -22.717 1.00 1.13 C ATOM 365 O HIS A 21 -6.042 -10.994 -21.561 1.00 52.53 O ATOM 366 CB HIS A 21 -3.713 -11.652 -23.436 1.00 55.42 C ATOM 367 CG HIS A 21 -2.977 -10.348 -23.415 1.00 3.25 C ATOM 368 ND1 HIS A 21 -1.775 -10.173 -22.762 1.00 22.43 N ATOM 369 CD2 HIS A 21 -3.277 -9.152 -23.972 1.00 55.40 C ATOM 370 CE1 HIS A 21 -1.369 -8.926 -22.917 1.00 41.21 C ATOM 371 NE2 HIS A 21 -2.263 -8.285 -23.648 1.00 42.22 N ATOM 0 H HIS A 21 -4.640 -10.356 -25.412 1.00 11.42 H new ATOM 0 HA HIS A 21 -5.674 -12.489 -23.709 1.00 24.43 H new ATOM 0 HB2 HIS A 21 -3.601 -12.139 -22.467 1.00 55.42 H new ATOM 0 HB3 HIS A 21 -3.255 -12.307 -24.177 1.00 55.42 H new ATOM 0 HD1 HIS A 21 -1.277 -10.894 -22.240 1.00 22.43 H new ATOM 0 HD2 HIS A 21 -4.152 -8.922 -24.562 1.00 55.40 H new ATOM 0 HE1 HIS A 21 -0.461 -8.502 -22.515 1.00 41.21 H new ATOM 379 N SER A 22 -6.240 -9.401 -23.139 1.00 63.42 N ATOM 380 CA SER A 22 -6.883 -8.443 -22.248 1.00 23.12 C ATOM 381 C SER A 22 -8.032 -9.096 -21.486 1.00 25.44 C ATOM 382 O SER A 22 -8.403 -8.651 -20.400 1.00 20.14 O ATOM 383 CB SER A 22 -7.400 -7.243 -23.043 1.00 14.12 C ATOM 384 OG SER A 22 -7.310 -6.050 -22.283 1.00 32.44 O ATOM 0 H SER A 22 -6.106 -9.065 -24.093 1.00 63.42 H new ATOM 0 HA SER A 22 -6.141 -8.100 -21.527 1.00 23.12 H new ATOM 0 HB2 SER A 22 -6.824 -7.136 -23.962 1.00 14.12 H new ATOM 0 HB3 SER A 22 -8.436 -7.415 -23.334 1.00 14.12 H new ATOM 0 HG SER A 22 -6.380 -5.905 -22.010 1.00 32.44 H new ATOM 390 N ARG A 23 -8.590 -10.155 -22.063 1.00 30.10 N ATOM 391 CA ARG A 23 -9.697 -10.870 -21.440 1.00 14.12 C ATOM 392 C ARG A 23 -9.256 -11.524 -20.134 1.00 11.34 C ATOM 393 O ARG A 23 -10.051 -11.679 -19.205 1.00 64.43 O ATOM 394 CB ARG A 23 -10.248 -11.932 -22.394 1.00 10.25 C ATOM 395 CG ARG A 23 -10.963 -11.352 -23.603 1.00 62.12 C ATOM 396 CD ARG A 23 -11.417 -12.445 -24.558 1.00 41.34 C ATOM 397 NE ARG A 23 -11.525 -11.961 -25.932 1.00 44.11 N ATOM 398 CZ ARG A 23 -12.226 -12.579 -26.876 1.00 40.40 C ATOM 399 NH1 ARG A 23 -12.879 -13.698 -26.596 1.00 23.11 N ATOM 400 NH2 ARG A 23 -12.276 -12.076 -28.103 1.00 61.21 N ATOM 0 H ARG A 23 -8.294 -10.537 -22.961 1.00 30.10 H new ATOM 0 HA ARG A 23 -10.483 -10.148 -21.218 1.00 14.12 H new ATOM 0 HB2 ARG A 23 -9.427 -12.562 -22.736 1.00 10.25 H new ATOM 0 HB3 ARG A 23 -10.938 -12.575 -21.848 1.00 10.25 H new ATOM 0 HG2 ARG A 23 -11.826 -10.773 -23.274 1.00 62.12 H new ATOM 0 HG3 ARG A 23 -10.298 -10.664 -24.125 1.00 62.12 H new ATOM 0 HD2 ARG A 23 -10.712 -13.275 -24.520 1.00 41.34 H new ATOM 0 HD3 ARG A 23 -12.383 -12.832 -24.233 1.00 41.34 H new ATOM 0 HE ARG A 23 -11.035 -11.101 -26.180 1.00 44.11 H new ATOM 0 HH11 ARG A 23 -12.844 -14.087 -25.654 1.00 23.11 H new ATOM 0 HH12 ARG A 23 -13.416 -14.170 -27.323 1.00 23.11 H new ATOM 0 HH21 ARG A 23 -11.776 -11.214 -28.322 1.00 61.21 H new ATOM 0 HH22 ARG A 23 -12.814 -12.551 -28.827 1.00 61.21 H new