USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 146 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.115) USER MOD Single : A 10 THR OG1 : rot -106:sc= 1.29 USER MOD Single : A 11 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 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.084 X(o=-0.084,f=-0.0095) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 6.720 4.875 1.831 1.00 61.11 N ATOM 55 CA LYS A 4 7.936 5.661 1.999 1.00 44.20 C ATOM 56 C LYS A 4 7.904 6.440 3.310 1.00 30.12 C ATOM 57 O LYS A 4 8.392 7.568 3.386 1.00 13.42 O ATOM 58 CB LYS A 4 8.110 6.627 0.824 1.00 25.34 C ATOM 59 CG LYS A 4 6.812 6.951 0.106 1.00 0.33 C ATOM 60 CD LYS A 4 6.885 8.297 -0.596 1.00 73.54 C ATOM 61 CE LYS A 4 7.984 8.318 -1.648 1.00 32.44 C ATOM 62 NZ LYS A 4 7.476 8.770 -2.972 1.00 73.44 N ATOM 0 HA LYS A 4 8.782 4.974 2.025 1.00 44.20 H new ATOM 0 HB2 LYS A 4 8.555 7.553 1.189 1.00 25.34 H new ATOM 0 HB3 LYS A 4 8.812 6.195 0.111 1.00 25.34 H new ATOM 0 HG2 LYS A 4 6.594 6.171 -0.623 1.00 0.33 H new ATOM 0 HG3 LYS A 4 5.990 6.957 0.822 1.00 0.33 H new ATOM 0 HD2 LYS A 4 5.926 8.516 -1.066 1.00 73.54 H new ATOM 0 HD3 LYS A 4 7.067 9.082 0.138 1.00 73.54 H new ATOM 0 HE2 LYS A 4 8.786 8.980 -1.322 1.00 32.44 H new ATOM 0 HE3 LYS A 4 8.413 7.321 -1.745 1.00 32.44 H new ATOM 0 HZ1 LYS A 4 8.255 8.770 -3.661 1.00 73.44 H new ATOM 0 HZ2 LYS A 4 6.728 8.124 -3.296 1.00 73.44 H new ATOM 0 HZ3 LYS A 4 7.090 9.732 -2.886 1.00 73.44 H new ATOM 76 N LEU A 5 7.328 5.830 4.341 1.00 42.53 N ATOM 77 CA LEU A 5 7.234 6.466 5.650 1.00 12.33 C ATOM 78 C LEU A 5 8.547 7.148 6.021 1.00 62.33 C ATOM 79 O LEU A 5 8.553 8.230 6.608 1.00 63.21 O ATOM 80 CB LEU A 5 6.864 5.433 6.715 1.00 22.55 C ATOM 81 CG LEU A 5 5.417 5.465 7.209 1.00 43.02 C ATOM 82 CD1 LEU A 5 4.977 4.082 7.662 1.00 75.23 C ATOM 83 CD2 LEU A 5 5.261 6.473 8.338 1.00 23.22 C ATOM 0 H LEU A 5 6.920 4.896 4.295 1.00 42.53 H new ATOM 0 HA LEU A 5 6.453 7.225 5.602 1.00 12.33 H new ATOM 0 HB2 LEU A 5 7.068 4.440 6.315 1.00 22.55 H new ATOM 0 HB3 LEU A 5 7.522 5.573 7.572 1.00 22.55 H new ATOM 0 HG LEU A 5 4.778 5.774 6.382 1.00 43.02 H new ATOM 0 HD11 LEU A 5 3.945 4.124 8.010 1.00 75.23 H new ATOM 0 HD12 LEU A 5 5.050 3.385 6.827 1.00 75.23 H new ATOM 0 HD13 LEU A 5 5.620 3.743 8.474 1.00 75.23 H new ATOM 0 HD21 LEU A 5 4.225 6.482 8.677 1.00 23.22 H new ATOM 0 HD22 LEU A 5 5.912 6.194 9.167 1.00 23.22 H new ATOM 0 HD23 LEU A 5 5.534 7.466 7.980 1.00 23.22 H new ATOM 95 N PHE A 6 9.659 6.508 5.672 1.00 54.01 N ATOM 96 CA PHE A 6 10.979 7.053 5.967 1.00 72.15 C ATOM 97 C PHE A 6 11.795 7.221 4.689 1.00 44.15 C ATOM 98 O PHE A 6 12.871 7.819 4.701 1.00 53.24 O ATOM 99 CB PHE A 6 11.723 6.142 6.945 1.00 63.34 C ATOM 100 CG PHE A 6 12.578 6.889 7.928 1.00 34.03 C ATOM 101 CD1 PHE A 6 13.958 6.878 7.815 1.00 4.31 C ATOM 102 CD2 PHE A 6 12.000 7.602 8.967 1.00 73.34 C ATOM 103 CE1 PHE A 6 14.748 7.565 8.718 1.00 14.34 C ATOM 104 CE2 PHE A 6 12.784 8.291 9.873 1.00 74.25 C ATOM 105 CZ PHE A 6 14.159 8.272 9.749 1.00 22.41 C ATOM 0 H PHE A 6 9.672 5.612 5.185 1.00 54.01 H new ATOM 0 HA PHE A 6 10.847 8.034 6.424 1.00 72.15 H new ATOM 0 HB2 PHE A 6 10.997 5.539 7.491 1.00 63.34 H new ATOM 0 HB3 PHE A 6 12.350 5.452 6.381 1.00 63.34 H new ATOM 0 HD1 PHE A 6 14.423 6.326 7.012 1.00 4.31 H new ATOM 0 HD2 PHE A 6 10.925 7.619 9.070 1.00 73.34 H new ATOM 0 HE1 PHE A 6 15.823 7.549 8.618 1.00 14.34 H new ATOM 0 HE2 PHE A 6 12.321 8.844 10.677 1.00 74.25 H new ATOM 0 HZ PHE A 6 14.773 8.809 10.457 1.00 22.41 H new ATOM 115 N ALA A 7 11.276 6.688 3.587 1.00 2.13 N ATOM 116 CA ALA A 7 11.955 6.780 2.301 1.00 62.12 C ATOM 117 C ALA A 7 11.890 8.198 1.745 1.00 14.53 C ATOM 118 O ALA A 7 12.768 8.624 0.995 1.00 3.34 O ATOM 119 CB ALA A 7 11.348 5.795 1.312 1.00 3.33 C ATOM 0 H ALA A 7 10.387 6.188 3.560 1.00 2.13 H new ATOM 0 HA ALA A 7 13.004 6.526 2.454 1.00 62.12 H new ATOM 0 HB1 ALA A 7 11.865 5.875 0.356 1.00 3.33 H new ATOM 0 HB2 ALA A 7 11.453 4.781 1.698 1.00 3.33 H new ATOM 0 HB3 ALA A 7 10.291 6.023 1.173 1.00 3.33 H new ATOM 125 N LYS A 8 10.842 8.927 2.117 1.00 22.43 N ATOM 126 CA LYS A 8 10.661 10.298 1.657 1.00 1.32 C ATOM 127 C LYS A 8 11.343 11.283 2.601 1.00 3.30 C ATOM 128 O LYS A 8 11.845 12.322 2.171 1.00 4.45 O ATOM 129 CB LYS A 8 9.171 10.629 1.548 1.00 31.20 C ATOM 130 CG LYS A 8 8.408 10.435 2.847 1.00 2.32 C ATOM 131 CD LYS A 8 7.656 11.694 3.245 1.00 53.02 C ATOM 132 CE LYS A 8 6.309 11.364 3.871 1.00 43.12 C ATOM 133 NZ LYS A 8 6.448 10.440 5.030 1.00 21.30 N ATOM 0 H LYS A 8 10.105 8.590 2.736 1.00 22.43 H new ATOM 0 HA LYS A 8 11.120 10.388 0.672 1.00 1.32 H new ATOM 0 HB2 LYS A 8 9.060 11.663 1.222 1.00 31.20 H new ATOM 0 HB3 LYS A 8 8.724 10.002 0.777 1.00 31.20 H new ATOM 0 HG2 LYS A 8 7.705 9.609 2.737 1.00 2.32 H new ATOM 0 HG3 LYS A 8 9.103 10.159 3.640 1.00 2.32 H new ATOM 0 HD2 LYS A 8 8.255 12.269 3.951 1.00 53.02 H new ATOM 0 HD3 LYS A 8 7.506 12.323 2.367 1.00 53.02 H new ATOM 0 HE2 LYS A 8 5.824 12.285 4.196 1.00 43.12 H new ATOM 0 HE3 LYS A 8 5.661 10.911 3.121 1.00 43.12 H new ATOM 0 HZ1 LYS A 8 5.539 10.373 5.531 1.00 21.30 H new ATOM 0 HZ2 LYS A 8 6.727 9.497 4.691 1.00 21.30 H new ATOM 0 HZ3 LYS A 8 7.175 10.804 5.679 1.00 21.30 H new ATOM 147 N ILE A 9 11.359 10.949 3.887 1.00 12.50 N ATOM 148 CA ILE A 9 11.982 11.804 4.890 1.00 30.11 C ATOM 149 C ILE A 9 13.503 11.743 4.796 1.00 32.12 C ATOM 150 O ILE A 9 14.198 12.692 5.161 1.00 34.11 O ATOM 151 CB ILE A 9 11.551 11.407 6.314 1.00 15.03 C ATOM 152 CG1 ILE A 9 12.390 10.230 6.816 1.00 43.42 C ATOM 153 CG2 ILE A 9 10.070 11.058 6.341 1.00 20.32 C ATOM 154 CD1 ILE A 9 13.631 10.652 7.571 1.00 44.24 C ATOM 0 H ILE A 9 10.948 10.093 4.259 1.00 12.50 H new ATOM 0 HA ILE A 9 11.648 12.822 4.688 1.00 30.11 H new ATOM 0 HB ILE A 9 11.717 12.256 6.977 1.00 15.03 H new ATOM 0 HG12 ILE A 9 11.775 9.606 7.464 1.00 43.42 H new ATOM 0 HG13 ILE A 9 12.683 9.614 5.966 1.00 43.42 H new ATOM 0 HG21 ILE A 9 9.780 10.779 7.354 1.00 20.32 H new ATOM 0 HG22 ILE A 9 9.487 11.922 6.021 1.00 20.32 H new ATOM 0 HG23 ILE A 9 9.881 10.223 5.667 1.00 20.32 H new ATOM 0 HD11 ILE A 9 14.177 9.767 7.897 1.00 44.24 H new ATOM 0 HD12 ILE A 9 14.267 11.251 6.920 1.00 44.24 H new ATOM 0 HD13 ILE A 9 13.344 11.242 8.441 1.00 44.24 H new ATOM 166 N THR A 10 14.015 10.620 4.302 1.00 22.03 N ATOM 167 CA THR A 10 15.454 10.435 4.159 1.00 33.51 C ATOM 168 C THR A 10 15.957 11.028 2.848 1.00 33.21 C ATOM 169 O THR A 10 15.514 10.638 1.767 1.00 32.05 O ATOM 170 CB THR A 10 15.836 8.943 4.215 1.00 42.52 C ATOM 171 OG1 THR A 10 15.008 8.192 3.321 1.00 61.52 O ATOM 172 CG2 THR A 10 15.690 8.400 5.628 1.00 71.30 C ATOM 0 H THR A 10 13.455 9.825 3.994 1.00 22.03 H new ATOM 0 HA THR A 10 15.925 10.955 4.993 1.00 33.51 H new ATOM 0 HB THR A 10 16.878 8.845 3.912 1.00 42.52 H new ATOM 0 HG1 THR A 10 14.355 7.675 3.837 1.00 61.52 H new ATOM 0 HG21 THR A 10 15.965 7.345 5.643 1.00 71.30 H new ATOM 0 HG22 THR A 10 16.344 8.955 6.300 1.00 71.30 H new ATOM 0 HG23 THR A 10 14.656 8.510 5.955 1.00 71.30 H new ATOM 180 N LYS A 11 16.885 11.973 2.950 1.00 64.45 N ATOM 181 CA LYS A 11 17.451 12.619 1.772 1.00 44.43 C ATOM 182 C LYS A 11 18.956 12.383 1.691 1.00 21.41 C ATOM 183 O LYS A 11 19.665 13.069 0.954 1.00 34.41 O ATOM 184 CB LYS A 11 17.162 14.122 1.801 1.00 72.11 C ATOM 185 CG LYS A 11 17.357 14.753 3.169 1.00 61.53 C ATOM 186 CD LYS A 11 18.828 14.827 3.544 1.00 52.05 C ATOM 187 CE LYS A 11 19.069 15.834 4.658 1.00 73.13 C ATOM 188 NZ LYS A 11 19.319 15.166 5.965 1.00 74.42 N ATOM 0 H LYS A 11 17.261 12.309 3.837 1.00 64.45 H new ATOM 0 HA LYS A 11 16.984 12.181 0.890 1.00 44.43 H new ATOM 0 HB2 LYS A 11 17.812 14.622 1.083 1.00 72.11 H new ATOM 0 HB3 LYS A 11 16.136 14.293 1.474 1.00 72.11 H new ATOM 0 HG2 LYS A 11 16.929 15.755 3.173 1.00 61.53 H new ATOM 0 HG3 LYS A 11 16.818 14.173 3.918 1.00 61.53 H new ATOM 0 HD2 LYS A 11 19.174 13.843 3.860 1.00 52.05 H new ATOM 0 HD3 LYS A 11 19.414 15.104 2.668 1.00 52.05 H new ATOM 0 HE2 LYS A 11 19.923 16.462 4.402 1.00 73.13 H new ATOM 0 HE3 LYS A 11 18.205 16.492 4.746 1.00 73.13 H new ATOM 0 HZ1 LYS A 11 19.479 15.886 6.698 1.00 74.42 H new ATOM 0 HZ2 LYS A 11 18.494 14.587 6.222 1.00 74.42 H new ATOM 0 HZ3 LYS A 11 20.159 14.558 5.889 1.00 74.42 H new ATOM 202 N LYS A 12 19.438 11.406 2.452 1.00 3.25 N ATOM 203 CA LYS A 12 20.858 11.076 2.466 1.00 44.13 C ATOM 204 C LYS A 12 21.189 10.050 1.387 1.00 74.15 C ATOM 205 O LYS A 12 21.747 10.389 0.345 1.00 44.45 O ATOM 206 CB LYS A 12 21.265 10.537 3.839 1.00 71.51 C ATOM 207 CG LYS A 12 22.663 9.945 3.870 1.00 24.14 C ATOM 208 CD LYS A 12 22.635 8.465 4.214 1.00 3.13 C ATOM 209 CE LYS A 12 22.982 8.226 5.676 1.00 71.11 C ATOM 210 NZ LYS A 12 21.826 8.505 6.573 1.00 63.12 N ATOM 0 H LYS A 12 18.865 10.829 3.068 1.00 3.25 H new ATOM 0 HA LYS A 12 21.419 11.988 2.260 1.00 44.13 H new ATOM 0 HB2 LYS A 12 21.205 11.344 4.569 1.00 71.51 H new ATOM 0 HB3 LYS A 12 20.550 9.774 4.147 1.00 71.51 H new ATOM 0 HG2 LYS A 12 23.140 10.085 2.900 1.00 24.14 H new ATOM 0 HG3 LYS A 12 23.269 10.478 4.603 1.00 24.14 H new ATOM 0 HD2 LYS A 12 21.645 8.060 4.003 1.00 3.13 H new ATOM 0 HD3 LYS A 12 23.341 7.929 3.579 1.00 3.13 H new ATOM 0 HE2 LYS A 12 23.304 7.193 5.809 1.00 71.11 H new ATOM 0 HE3 LYS A 12 23.822 8.860 5.958 1.00 71.11 H new ATOM 0 HZ1 LYS A 12 22.103 8.330 7.560 1.00 63.12 H new ATOM 0 HZ2 LYS A 12 21.535 9.498 6.465 1.00 63.12 H new ATOM 0 HZ3 LYS A 12 21.032 7.882 6.321 1.00 63.12 H new ATOM 224 N ASN A 13 20.838 8.794 1.643 1.00 34.04 N ATOM 225 CA ASN A 13 21.096 7.719 0.693 1.00 62.51 C ATOM 226 C ASN A 13 20.278 7.910 -0.581 1.00 20.34 C ATOM 227 O ASN A 13 20.588 7.331 -1.622 1.00 13.52 O ATOM 228 CB ASN A 13 20.770 6.363 1.323 1.00 11.14 C ATOM 229 CG ASN A 13 22.004 5.504 1.518 1.00 63.11 C ATOM 230 OD1 ASN A 13 22.614 5.507 2.587 1.00 3.22 O ATOM 231 ND2 ASN A 13 22.378 4.762 0.482 1.00 41.44 N ATOM 0 H ASN A 13 20.374 8.496 2.501 1.00 34.04 H new ATOM 0 HA ASN A 13 22.154 7.746 0.432 1.00 62.51 H new ATOM 0 HB2 ASN A 13 20.284 6.520 2.286 1.00 11.14 H new ATOM 0 HB3 ASN A 13 20.058 5.833 0.690 1.00 11.14 H new ATOM 0 HD21 ASN A 13 23.201 4.164 0.554 1.00 41.44 H new ATOM 0 HD22 ASN A 13 21.842 4.791 -0.386 1.00 41.44 H new ATOM 238 N MET A 14 19.233 8.725 -0.489 1.00 12.40 N ATOM 239 CA MET A 14 18.371 8.994 -1.634 1.00 41.44 C ATOM 240 C MET A 14 19.169 9.598 -2.785 1.00 44.52 C ATOM 241 O MET A 14 19.130 9.099 -3.909 1.00 41.44 O ATOM 242 CB MET A 14 17.236 9.939 -1.235 1.00 33.31 C ATOM 243 CG MET A 14 16.140 10.049 -2.283 1.00 31.24 C ATOM 244 SD MET A 14 14.584 9.318 -1.739 1.00 55.43 S ATOM 245 CE MET A 14 13.549 9.622 -3.170 1.00 3.33 C ATOM 0 H MET A 14 18.962 9.211 0.366 1.00 12.40 H new ATOM 0 HA MET A 14 17.946 8.047 -1.967 1.00 41.44 H new ATOM 0 HB2 MET A 14 16.798 9.593 -0.298 1.00 33.31 H new ATOM 0 HB3 MET A 14 17.649 10.930 -1.047 1.00 33.31 H new ATOM 0 HG2 MET A 14 15.978 11.099 -2.525 1.00 31.24 H new ATOM 0 HG3 MET A 14 16.468 9.557 -3.199 1.00 31.24 H new ATOM 0 HE1 MET A 14 12.550 9.226 -2.987 1.00 3.33 H new ATOM 0 HE2 MET A 14 13.486 10.695 -3.352 1.00 3.33 H new ATOM 0 HE3 MET A 14 13.980 9.130 -4.042 1.00 3.33 H new ATOM 255 N ALA A 15 19.893 10.675 -2.497 1.00 13.53 N ATOM 256 CA ALA A 15 20.701 11.346 -3.507 1.00 41.03 C ATOM 257 C ALA A 15 21.973 10.558 -3.805 1.00 15.34 C ATOM 258 O ALA A 15 22.787 10.965 -4.634 1.00 22.22 O ATOM 259 CB ALA A 15 21.046 12.758 -3.056 1.00 71.41 C ATOM 0 H ALA A 15 19.936 11.101 -1.571 1.00 13.53 H new ATOM 0 HA ALA A 15 20.116 11.403 -4.425 1.00 41.03 H new ATOM 0 HB1 ALA A 15 21.650 13.247 -3.821 1.00 71.41 H new ATOM 0 HB2 ALA A 15 20.128 13.325 -2.901 1.00 71.41 H new ATOM 0 HB3 ALA A 15 21.608 12.715 -2.123 1.00 71.41 H new ATOM 265 N HIS A 16 22.137 9.429 -3.122 1.00 50.43 N ATOM 266 CA HIS A 16 23.310 8.584 -3.314 1.00 4.42 C ATOM 267 C HIS A 16 22.960 7.345 -4.131 1.00 73.14 C ATOM 268 O HIS A 16 23.841 6.679 -4.676 1.00 10.21 O ATOM 269 CB HIS A 16 23.893 8.170 -1.962 1.00 54.01 C ATOM 270 CG HIS A 16 25.250 8.743 -1.694 1.00 10.44 C ATOM 271 ND1 HIS A 16 25.580 9.374 -0.513 1.00 2.32 N ATOM 272 CD2 HIS A 16 26.365 8.777 -2.461 1.00 35.11 C ATOM 273 CE1 HIS A 16 26.839 9.773 -0.566 1.00 73.21 C ATOM 274 NE2 HIS A 16 27.337 9.422 -1.738 1.00 25.02 N ATOM 0 H HIS A 16 21.473 9.079 -2.431 1.00 50.43 H new ATOM 0 HA HIS A 16 24.056 9.160 -3.862 1.00 4.42 H new ATOM 0 HB2 HIS A 16 23.212 8.484 -1.171 1.00 54.01 H new ATOM 0 HB3 HIS A 16 23.952 7.082 -1.919 1.00 54.01 H new ATOM 0 HD2 HIS A 16 26.470 8.372 -3.457 1.00 35.11 H new ATOM 0 HE1 HIS A 16 27.370 10.297 0.215 1.00 73.21 H new ATOM 0 HE2 HIS A 16 28.290 9.601 -2.055 1.00 25.02 H new ATOM 282 N ILE A 17 21.669 7.041 -4.212 1.00 53.12 N ATOM 283 CA ILE A 17 21.203 5.882 -4.963 1.00 53.13 C ATOM 284 C ILE A 17 21.753 5.891 -6.386 1.00 12.44 C ATOM 285 O ILE A 17 22.130 4.850 -6.923 1.00 33.10 O ATOM 286 CB ILE A 17 19.665 5.829 -5.020 1.00 54.42 C ATOM 287 CG1 ILE A 17 19.125 6.976 -5.877 1.00 75.05 C ATOM 288 CG2 ILE A 17 19.080 5.889 -3.617 1.00 3.52 C ATOM 289 CD1 ILE A 17 17.660 7.270 -5.640 1.00 11.12 C ATOM 0 H ILE A 17 20.927 7.581 -3.767 1.00 53.12 H new ATOM 0 HA ILE A 17 21.570 4.999 -4.440 1.00 53.13 H new ATOM 0 HB ILE A 17 19.366 4.886 -5.477 1.00 54.42 H new ATOM 0 HG12 ILE A 17 19.705 7.876 -5.673 1.00 75.05 H new ATOM 0 HG13 ILE A 17 19.273 6.733 -6.929 1.00 75.05 H new ATOM 0 HG21 ILE A 17 17.992 5.851 -3.674 1.00 3.52 H new ATOM 0 HG22 ILE A 17 19.443 5.042 -3.035 1.00 3.52 H new ATOM 0 HG23 ILE A 17 19.385 6.818 -3.135 1.00 3.52 H new ATOM 0 HD11 ILE A 17 17.346 8.094 -6.281 1.00 11.12 H new ATOM 0 HD12 ILE A 17 17.069 6.384 -5.872 1.00 11.12 H new ATOM 0 HD13 ILE A 17 17.508 7.544 -4.596 1.00 11.12 H new ATOM 301 N ARG A 18 21.797 7.075 -6.989 1.00 64.42 N ATOM 302 CA ARG A 18 22.302 7.220 -8.349 1.00 62.11 C ATOM 303 C ARG A 18 23.813 7.434 -8.348 1.00 61.33 C ATOM 304 O ARG A 18 24.393 7.830 -7.337 1.00 51.54 O ATOM 305 CB ARG A 18 21.611 8.391 -9.050 1.00 61.11 C ATOM 306 CG ARG A 18 21.541 8.241 -10.561 1.00 34.31 C ATOM 307 CD ARG A 18 20.164 8.606 -11.093 1.00 72.24 C ATOM 308 NE ARG A 18 19.716 9.908 -10.606 1.00 61.31 N ATOM 309 CZ ARG A 18 18.468 10.347 -10.723 1.00 71.33 C ATOM 310 NH1 ARG A 18 17.548 9.592 -11.308 1.00 62.41 N ATOM 311 NH2 ARG A 18 18.137 11.543 -10.255 1.00 4.34 N ATOM 0 H ARG A 18 21.489 7.947 -6.558 1.00 64.42 H new ATOM 0 HA ARG A 18 22.083 6.300 -8.891 1.00 62.11 H new ATOM 0 HB2 ARG A 18 20.600 8.493 -8.656 1.00 61.11 H new ATOM 0 HB3 ARG A 18 22.142 9.312 -8.809 1.00 61.11 H new ATOM 0 HG2 ARG A 18 22.293 8.878 -11.026 1.00 34.31 H new ATOM 0 HG3 ARG A 18 21.779 7.214 -10.837 1.00 34.31 H new ATOM 0 HD2 ARG A 18 20.187 8.615 -12.183 1.00 72.24 H new ATOM 0 HD3 ARG A 18 19.446 7.841 -10.796 1.00 72.24 H new ATOM 0 HE ARG A 18 20.399 10.513 -10.151 1.00 61.31 H new ATOM 0 HH11 ARG A 18 17.798 8.672 -11.669 1.00 62.41 H new ATOM 0 HH12 ARG A 18 16.590 9.932 -11.396 1.00 62.41 H new ATOM 0 HH21 ARG A 18 18.841 12.127 -9.804 1.00 4.34 H new ATOM 0 HH22 ARG A 18 17.178 11.879 -10.346 1.00 4.34 H new