USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 137 hydrogens (2 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 1 ILE N :NH3+ -166:sc= -0.0405 (180deg=-0.375) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.22) USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= 1.45 (180deg=0.0136) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.326 1.395 1.049 1.00 72.13 N1+ ATOM 2 CA ILE A 1 6.945 0.012 1.388 1.00 12.11 C ATOM 3 C ILE A 1 6.723 -0.704 0.047 1.00 64.02 C ATOM 4 O ILE A 1 6.222 -0.049 -0.863 1.00 54.11 O ATOM 5 CB ILE A 1 5.680 0.015 2.297 1.00 73.43 C ATOM 6 CG1 ILE A 1 5.805 0.946 3.530 1.00 4.03 C ATOM 7 CG2 ILE A 1 5.240 -1.393 2.742 1.00 25.51 C ATOM 8 CD1 ILE A 1 6.931 0.579 4.511 1.00 75.04 C ATOM 0 H1 ILE A 1 7.717 1.864 1.891 1.00 72.13 H new ATOM 0 H2 ILE A 1 8.043 1.383 0.295 1.00 72.13 H new ATOM 0 H3 ILE A 1 6.488 1.916 0.721 1.00 72.13 H new ATOM 0 HA ILE A 1 7.713 -0.510 1.959 1.00 12.11 H new ATOM 0 HB ILE A 1 4.899 0.420 1.653 1.00 73.43 H new ATOM 0 HG12 ILE A 1 5.966 1.966 3.181 1.00 4.03 H new ATOM 0 HG13 ILE A 1 4.858 0.939 4.069 1.00 4.03 H new ATOM 0 HG21 ILE A 1 4.354 -1.315 3.372 1.00 25.51 H new ATOM 0 HG22 ILE A 1 5.009 -1.997 1.864 1.00 25.51 H new ATOM 0 HG23 ILE A 1 6.045 -1.865 3.305 1.00 25.51 H new ATOM 0 HD11 ILE A 1 6.938 1.288 5.339 1.00 75.04 H new ATOM 0 HD12 ILE A 1 6.765 -0.427 4.896 1.00 75.04 H new ATOM 0 HD13 ILE A 1 7.890 0.616 3.994 1.00 75.04 H new ATOM 20 N LEU A 2 7.135 -1.971 -0.113 1.00 31.24 N ATOM 21 CA LEU A 2 7.120 -2.681 -1.399 1.00 44.41 C ATOM 22 C LEU A 2 6.875 -4.201 -1.253 1.00 34.02 C ATOM 23 O LEU A 2 7.824 -4.981 -1.373 1.00 2.42 O ATOM 24 CB LEU A 2 8.340 -2.292 -2.280 1.00 14.24 C ATOM 25 CG LEU A 2 9.755 -2.485 -1.673 1.00 25.43 C ATOM 26 CD1 LEU A 2 10.767 -2.847 -2.772 1.00 13.21 C ATOM 27 CD2 LEU A 2 10.254 -1.248 -0.903 1.00 3.42 C ATOM 0 H LEU A 2 7.492 -2.537 0.657 1.00 31.24 H new ATOM 0 HA LEU A 2 6.246 -2.339 -1.952 1.00 44.41 H new ATOM 0 HB2 LEU A 2 8.288 -2.872 -3.201 1.00 14.24 H new ATOM 0 HB3 LEU A 2 8.233 -1.243 -2.557 1.00 14.24 H new ATOM 0 HG LEU A 2 9.672 -3.303 -0.957 1.00 25.43 H new ATOM 0 HD11 LEU A 2 11.754 -2.979 -2.329 1.00 13.21 H new ATOM 0 HD12 LEU A 2 10.461 -3.774 -3.258 1.00 13.21 H new ATOM 0 HD13 LEU A 2 10.805 -2.046 -3.510 1.00 13.21 H new ATOM 0 HD21 LEU A 2 11.248 -1.445 -0.503 1.00 3.42 H new ATOM 0 HD22 LEU A 2 10.297 -0.393 -1.577 1.00 3.42 H new ATOM 0 HD23 LEU A 2 9.570 -1.029 -0.083 1.00 3.42 H new ATOM 39 N PRO A 3 5.626 -4.664 -1.003 1.00 3.51 N ATOM 40 CA PRO A 3 5.307 -6.100 -0.982 1.00 44.45 C ATOM 41 C PRO A 3 5.317 -6.662 -2.416 1.00 15.34 C ATOM 42 O PRO A 3 6.036 -7.624 -2.704 1.00 64.15 O ATOM 43 CB PRO A 3 3.922 -6.187 -0.323 1.00 23.14 C ATOM 44 CG PRO A 3 3.265 -4.839 -0.593 1.00 41.33 C ATOM 45 CD PRO A 3 4.432 -3.855 -0.734 1.00 14.13 C ATOM 0 HA PRO A 3 6.034 -6.694 -0.429 1.00 44.45 H new ATOM 0 HB2 PRO A 3 3.335 -7.003 -0.746 1.00 23.14 H new ATOM 0 HB3 PRO A 3 4.006 -6.377 0.747 1.00 23.14 H new ATOM 0 HG2 PRO A 3 2.661 -4.868 -1.500 1.00 41.33 H new ATOM 0 HG3 PRO A 3 2.602 -4.552 0.223 1.00 41.33 H new ATOM 0 HD2 PRO A 3 4.250 -3.150 -1.545 1.00 14.13 H new ATOM 0 HD3 PRO A 3 4.557 -3.268 0.176 1.00 14.13 H new ATOM 53 N TRP A 4 4.607 -5.979 -3.323 1.00 42.34 N ATOM 54 CA TRP A 4 4.731 -6.091 -4.771 1.00 51.03 C ATOM 55 C TRP A 4 5.971 -5.296 -5.209 1.00 55.34 C ATOM 56 O TRP A 4 6.329 -4.294 -4.589 1.00 0.44 O ATOM 57 CB TRP A 4 3.488 -5.465 -5.456 1.00 61.34 C ATOM 58 CG TRP A 4 2.629 -6.409 -6.245 1.00 63.24 C ATOM 59 CD1 TRP A 4 1.345 -6.713 -5.950 1.00 43.22 C ATOM 60 CD2 TRP A 4 2.950 -7.173 -7.453 1.00 43.15 C ATOM 61 NE1 TRP A 4 0.853 -7.602 -6.881 1.00 71.51 N ATOM 62 CE2 TRP A 4 1.796 -7.929 -7.829 1.00 0.53 C ATOM 63 CE3 TRP A 4 4.097 -7.322 -8.271 1.00 42.00 C ATOM 64 CZ2 TRP A 4 1.783 -8.779 -8.949 1.00 43.02 C ATOM 65 CZ3 TRP A 4 4.100 -8.174 -9.393 1.00 72.32 C ATOM 66 CH2 TRP A 4 2.944 -8.902 -9.733 1.00 5.11 C ATOM 0 H TRP A 4 3.897 -5.301 -3.047 1.00 42.34 H new ATOM 0 HA TRP A 4 4.815 -7.141 -5.052 1.00 51.03 H new ATOM 0 HB2 TRP A 4 2.871 -4.998 -4.688 1.00 61.34 H new ATOM 0 HB3 TRP A 4 3.826 -4.670 -6.121 1.00 61.34 H new ATOM 0 HD1 TRP A 4 0.789 -6.319 -5.112 1.00 43.22 H new ATOM 0 HE1 TRP A 4 -0.097 -7.973 -6.869 1.00 71.51 H new ATOM 0 HE3 TRP A 4 4.992 -6.768 -8.028 1.00 42.00 H new ATOM 0 HZ2 TRP A 4 0.891 -9.332 -9.204 1.00 43.02 H new ATOM 0 HZ3 TRP A 4 4.992 -8.269 -9.994 1.00 72.32 H new ATOM 0 HH2 TRP A 4 2.949 -9.554 -10.594 1.00 5.11 H new ATOM 77 N LYS A 5 6.605 -5.752 -6.287 1.00 1.23 N ATOM 78 CA LYS A 5 7.724 -5.111 -6.955 1.00 2.31 C ATOM 79 C LYS A 5 7.232 -4.673 -8.353 1.00 63.23 C ATOM 80 O LYS A 5 6.020 -4.591 -8.603 1.00 74.13 O ATOM 81 CB LYS A 5 8.903 -6.124 -7.000 1.00 33.20 C ATOM 82 CG LYS A 5 9.514 -6.454 -5.615 1.00 72.51 C ATOM 83 CD LYS A 5 8.848 -7.623 -4.859 1.00 64.42 C ATOM 84 CE LYS A 5 9.328 -7.738 -3.400 1.00 32.04 C ATOM 85 NZ LYS A 5 8.506 -8.693 -2.633 1.00 63.31 N1+ ATOM 0 H LYS A 5 6.334 -6.626 -6.738 1.00 1.23 H new ATOM 0 HA LYS A 5 8.086 -4.224 -6.436 1.00 2.31 H new ATOM 0 HB2 LYS A 5 8.555 -7.049 -7.460 1.00 33.20 H new ATOM 0 HB3 LYS A 5 9.686 -5.723 -7.643 1.00 33.20 H new ATOM 0 HG2 LYS A 5 10.571 -6.685 -5.749 1.00 72.51 H new ATOM 0 HG3 LYS A 5 9.459 -5.562 -4.991 1.00 72.51 H new ATOM 0 HD2 LYS A 5 7.766 -7.489 -4.872 1.00 64.42 H new ATOM 0 HD3 LYS A 5 9.060 -8.556 -5.381 1.00 64.42 H new ATOM 0 HE2 LYS A 5 10.370 -8.058 -3.383 1.00 32.04 H new ATOM 0 HE3 LYS A 5 9.288 -6.758 -2.924 1.00 32.04 H new ATOM 0 HZ1 LYS A 5 8.719 -8.598 -1.619 1.00 63.31 H new ATOM 0 HZ2 LYS A 5 7.499 -8.492 -2.795 1.00 63.31 H new ATOM 0 HZ3 LYS A 5 8.720 -9.662 -2.943 1.00 63.31 H new ATOM 99 N TRP A 6 8.165 -4.389 -9.269 1.00 41.20 N ATOM 100 CA TRP A 6 7.892 -4.081 -10.673 1.00 22.13 C ATOM 101 C TRP A 6 7.438 -5.344 -11.445 1.00 64.45 C ATOM 102 O TRP A 6 7.224 -6.410 -10.863 1.00 52.12 O ATOM 103 CB TRP A 6 9.150 -3.442 -11.308 1.00 32.23 C ATOM 104 CG TRP A 6 10.347 -4.310 -11.574 1.00 43.33 C ATOM 105 CD1 TRP A 6 11.184 -4.820 -10.641 1.00 54.11 C ATOM 106 CD2 TRP A 6 10.884 -4.730 -12.866 1.00 43.44 C ATOM 107 NE1 TRP A 6 12.175 -5.551 -11.263 1.00 11.51 N ATOM 108 CE2 TRP A 6 12.049 -5.521 -12.634 1.00 71.21 C ATOM 109 CE3 TRP A 6 10.522 -4.503 -14.217 1.00 72.52 C ATOM 110 CZ2 TRP A 6 12.808 -6.068 -13.682 1.00 4.24 C ATOM 111 CZ3 TRP A 6 11.282 -5.039 -15.277 1.00 13.13 C ATOM 112 CH2 TRP A 6 12.421 -5.821 -15.010 1.00 4.13 C ATOM 0 H TRP A 6 9.160 -4.367 -9.045 1.00 41.20 H new ATOM 0 HA TRP A 6 7.070 -3.367 -10.732 1.00 22.13 H new ATOM 0 HB2 TRP A 6 8.850 -2.994 -12.255 1.00 32.23 H new ATOM 0 HB3 TRP A 6 9.471 -2.628 -10.658 1.00 32.23 H new ATOM 0 HD1 TRP A 6 11.091 -4.677 -9.575 1.00 54.11 H new ATOM 0 HE1 TRP A 6 12.912 -6.053 -10.767 1.00 11.51 H new ATOM 0 HE3 TRP A 6 9.648 -3.909 -14.439 1.00 72.52 H new ATOM 0 HZ2 TRP A 6 13.678 -6.671 -13.470 1.00 4.24 H new ATOM 0 HZ3 TRP A 6 10.988 -4.848 -16.299 1.00 13.13 H new ATOM 0 HH2 TRP A 6 12.998 -6.231 -15.826 1.00 4.13 H new ATOM 123 N LYS A 7 7.206 -5.205 -12.752 1.00 11.14 N ATOM 124 CA LYS A 7 6.777 -6.265 -13.651 1.00 33.21 C ATOM 125 C LYS A 7 7.301 -5.964 -15.058 1.00 1.53 C ATOM 126 O LYS A 7 7.329 -4.799 -15.457 1.00 1.42 O ATOM 127 CB LYS A 7 5.249 -6.523 -13.555 1.00 62.43 C ATOM 128 CG LYS A 7 4.332 -5.273 -13.623 1.00 72.55 C ATOM 129 CD LYS A 7 3.926 -4.690 -12.250 1.00 44.34 C ATOM 130 CE LYS A 7 2.876 -5.530 -11.500 1.00 10.10 C ATOM 131 NZ LYS A 7 2.730 -5.095 -10.098 1.00 11.31 N1+ ATOM 0 H LYS A 7 7.318 -4.310 -13.228 1.00 11.14 H new ATOM 0 HA LYS A 7 7.213 -7.218 -13.351 1.00 33.21 H new ATOM 0 HB2 LYS A 7 4.965 -7.199 -14.362 1.00 62.43 H new ATOM 0 HB3 LYS A 7 5.049 -7.043 -12.618 1.00 62.43 H new ATOM 0 HG2 LYS A 7 4.841 -4.497 -14.195 1.00 72.55 H new ATOM 0 HG3 LYS A 7 3.428 -5.533 -14.173 1.00 72.55 H new ATOM 0 HD2 LYS A 7 4.816 -4.599 -11.627 1.00 44.34 H new ATOM 0 HD3 LYS A 7 3.535 -3.683 -12.395 1.00 44.34 H new ATOM 0 HE2 LYS A 7 1.915 -5.450 -12.008 1.00 10.10 H new ATOM 0 HE3 LYS A 7 3.164 -6.581 -11.527 1.00 10.10 H new ATOM 0 HZ1 LYS A 7 3.104 -5.831 -9.465 1.00 11.31 H new ATOM 0 HZ2 LYS A 7 3.259 -4.211 -9.952 1.00 11.31 H new ATOM 0 HZ3 LYS A 7 1.724 -4.935 -9.887 1.00 11.31 H new ATOM 145 N TRP A 8 7.723 -7.005 -15.789 1.00 44.30 N ATOM 146 CA TRP A 8 8.313 -6.926 -17.125 1.00 62.03 C ATOM 147 C TRP A 8 7.340 -6.334 -18.154 1.00 64.23 C ATOM 148 O TRP A 8 6.312 -6.943 -18.470 1.00 74.43 O ATOM 149 CB TRP A 8 8.768 -8.328 -17.573 1.00 21.34 C ATOM 150 CG TRP A 8 10.119 -8.743 -17.079 1.00 41.10 C ATOM 151 CD1 TRP A 8 10.369 -9.667 -16.124 1.00 1.54 C ATOM 152 CD2 TRP A 8 11.423 -8.267 -17.532 1.00 12.15 C ATOM 153 NE1 TRP A 8 11.734 -9.793 -15.957 1.00 34.31 N ATOM 154 CE2 TRP A 8 12.436 -8.960 -16.801 1.00 63.33 C ATOM 155 CE3 TRP A 8 11.857 -7.326 -18.496 1.00 61.31 C ATOM 156 CZ2 TRP A 8 13.807 -8.732 -17.015 1.00 2.43 C ATOM 157 CZ3 TRP A 8 13.229 -7.085 -18.716 1.00 54.51 C ATOM 158 CH2 TRP A 8 14.203 -7.786 -17.978 1.00 53.10 C ATOM 0 H TRP A 8 7.658 -7.964 -15.448 1.00 44.30 H new ATOM 0 HA TRP A 8 9.172 -6.257 -17.070 1.00 62.03 H new ATOM 0 HB2 TRP A 8 8.033 -9.058 -17.233 1.00 21.34 H new ATOM 0 HB3 TRP A 8 8.770 -8.362 -18.662 1.00 21.34 H new ATOM 0 HD1 TRP A 8 9.619 -10.220 -15.578 1.00 1.54 H new ATOM 0 HE1 TRP A 8 12.171 -10.427 -15.288 1.00 34.31 H new ATOM 0 HE3 TRP A 8 11.124 -6.783 -19.074 1.00 61.31 H new ATOM 0 HZ2 TRP A 8 14.547 -9.276 -16.447 1.00 2.43 H new ATOM 0 HZ3 TRP A 8 13.535 -6.359 -19.455 1.00 54.51 H new ATOM 0 HH2 TRP A 8 15.252 -7.597 -18.151 1.00 53.10 H new ATOM 169 N THR A 9 7.690 -5.147 -18.658 1.00 4.42 N ATOM 170 CA THR A 9 7.065 -4.398 -19.747 1.00 10.13 C ATOM 171 C THR A 9 5.701 -3.824 -19.296 1.00 45.43 C ATOM 172 O THR A 9 4.658 -4.383 -19.655 1.00 41.33 O ATOM 173 CB THR A 9 7.055 -5.233 -21.059 1.00 72.23 C ATOM 174 OG1 THR A 9 8.384 -5.670 -21.300 1.00 32.34 O ATOM 175 CG2 THR A 9 6.609 -4.440 -22.299 1.00 13.44 C ATOM 0 H THR A 9 8.491 -4.642 -18.278 1.00 4.42 H new ATOM 0 HA THR A 9 7.661 -3.520 -19.996 1.00 10.13 H new ATOM 0 HB THR A 9 6.343 -6.046 -20.915 1.00 72.23 H new ATOM 0 HG1 THR A 9 8.409 -6.202 -22.122 1.00 32.34 H new ATOM 0 HG21 THR A 9 6.628 -5.091 -23.173 1.00 13.44 H new ATOM 0 HG22 THR A 9 5.596 -4.066 -22.147 1.00 13.44 H new ATOM 0 HG23 THR A 9 7.286 -3.600 -22.457 1.00 13.44 H new ATOM 183 N PRO A 10 5.674 -2.744 -18.482 1.00 0.41 N ATOM 184 CA PRO A 10 4.424 -2.118 -18.033 1.00 22.13 C ATOM 185 C PRO A 10 3.757 -1.313 -19.167 1.00 22.12 C ATOM 186 O PRO A 10 4.273 -1.232 -20.279 1.00 71.14 O ATOM 187 CB PRO A 10 4.853 -1.226 -16.855 1.00 23.54 C ATOM 188 CG PRO A 10 6.289 -0.838 -17.171 1.00 33.54 C ATOM 189 CD PRO A 10 6.842 -2.037 -17.943 1.00 22.13 C ATOM 0 HA PRO A 10 3.671 -2.847 -17.736 1.00 22.13 H new ATOM 0 HB2 PRO A 10 4.214 -0.347 -16.770 1.00 23.54 H new ATOM 0 HB3 PRO A 10 4.786 -1.761 -15.908 1.00 23.54 H new ATOM 0 HG2 PRO A 10 6.333 0.074 -17.767 1.00 33.54 H new ATOM 0 HG3 PRO A 10 6.860 -0.652 -16.262 1.00 33.54 H new ATOM 0 HD2 PRO A 10 7.506 -1.713 -18.744 1.00 22.13 H new ATOM 0 HD3 PRO A 10 7.424 -2.687 -17.290 1.00 22.13 H new ATOM 197 N TRP A 11 2.581 -0.737 -18.885 1.00 54.32 N ATOM 198 CA TRP A 11 1.862 0.191 -19.767 1.00 54.11 C ATOM 199 C TRP A 11 1.104 -0.511 -20.911 1.00 44.01 C ATOM 200 O TRP A 11 0.797 0.105 -21.929 1.00 54.23 O ATOM 201 CB TRP A 11 2.705 1.429 -20.175 1.00 61.22 C ATOM 202 CG TRP A 11 2.140 2.731 -19.701 1.00 44.22 C ATOM 203 CD1 TRP A 11 1.496 3.641 -20.466 1.00 51.12 C ATOM 204 CD2 TRP A 11 2.144 3.275 -18.345 1.00 60.22 C ATOM 205 NE1 TRP A 11 1.096 4.701 -19.677 1.00 34.41 N ATOM 206 CE2 TRP A 11 1.464 4.530 -18.360 1.00 21.44 C ATOM 207 CE3 TRP A 11 2.658 2.838 -17.101 1.00 34.34 C ATOM 208 CZ2 TRP A 11 1.293 5.305 -17.199 1.00 32.34 C ATOM 209 CZ3 TRP A 11 2.495 3.607 -15.930 1.00 3.24 C ATOM 210 CH2 TRP A 11 1.812 4.838 -15.978 1.00 23.25 C ATOM 0 H TRP A 11 2.088 -0.910 -18.009 1.00 54.32 H new ATOM 0 HA TRP A 11 1.060 0.621 -19.167 1.00 54.11 H new ATOM 0 HB2 TRP A 11 3.714 1.316 -19.778 1.00 61.22 H new ATOM 0 HB3 TRP A 11 2.791 1.456 -21.261 1.00 61.22 H new ATOM 0 HD1 TRP A 11 1.322 3.553 -21.528 1.00 51.12 H new ATOM 0 HE1 TRP A 11 0.589 5.514 -20.027 1.00 34.41 H new ATOM 0 HE3 TRP A 11 3.185 1.897 -17.047 1.00 34.34 H new ATOM 0 HZ2 TRP A 11 0.769 6.248 -17.244 1.00 32.34 H new ATOM 0 HZ3 TRP A 11 2.896 3.251 -14.993 1.00 3.24 H new ATOM 0 HH2 TRP A 11 1.687 5.422 -15.078 1.00 23.25 H new ATOM 221 N ARG A 12 0.760 -1.794 -20.704 1.00 45.11 N ATOM 222 CA ARG A 12 0.115 -2.763 -21.596 1.00 42.24 C ATOM 223 C ARG A 12 1.139 -3.806 -22.068 1.00 63.41 C ATOM 224 O ARG A 12 1.597 -4.632 -21.275 1.00 1.42 O ATOM 225 CB ARG A 12 -0.825 -2.180 -22.691 1.00 42.44 C ATOM 226 CG ARG A 12 -1.988 -1.311 -22.162 1.00 54.23 C ATOM 227 CD ARG A 12 -2.448 -0.249 -23.174 1.00 3.41 C ATOM 228 NE ARG A 12 -3.234 -0.838 -24.278 1.00 33.24 N ATOM 229 CZ ARG A 12 -3.287 -0.411 -25.550 1.00 13.41 C ATOM 230 NH1 ARG A 12 -2.553 0.627 -25.960 1.00 22.20 N ATOM 231 NH2 ARG A 12 -4.091 -1.030 -26.417 1.00 42.34 N1+ ATOM 0 H ARG A 12 0.952 -2.223 -19.799 1.00 45.11 H new ATOM 0 HA ARG A 12 -0.629 -3.291 -21.000 1.00 42.24 H new ATOM 0 HB2 ARG A 12 -0.228 -1.581 -23.379 1.00 42.44 H new ATOM 0 HB3 ARG A 12 -1.242 -3.006 -23.267 1.00 42.44 H new ATOM 0 HG2 ARG A 12 -2.831 -1.955 -21.910 1.00 54.23 H new ATOM 0 HG3 ARG A 12 -1.677 -0.818 -21.241 1.00 54.23 H new ATOM 0 HD2 ARG A 12 -3.049 0.503 -22.662 1.00 3.41 H new ATOM 0 HD3 ARG A 12 -1.577 0.263 -23.583 1.00 3.41 H new ATOM 0 HE ARG A 12 -3.797 -1.657 -24.049 1.00 33.24 H new ATOM 0 HH11 ARG A 12 -1.940 1.109 -25.303 1.00 22.20 H new ATOM 0 HH12 ARG A 12 -2.606 0.938 -26.930 1.00 22.20 H new ATOM 0 HH21 ARG A 12 -4.659 -1.820 -26.111 1.00 42.34 H new ATOM 0 HH22 ARG A 12 -4.138 -0.713 -27.385 1.00 42.34 H new ATOM 245 N ARG A 13 1.466 -3.811 -23.360 1.00 41.41 N ATOM 246 CA ARG A 13 2.417 -4.679 -24.040 1.00 74.21 C ATOM 247 C ARG A 13 3.076 -3.813 -25.119 1.00 23.24 C ATOM 248 O ARG A 13 2.461 -2.867 -25.602 1.00 22.11 O ATOM 249 CB ARG A 13 1.717 -5.924 -24.640 1.00 31.34 C ATOM 250 CG ARG A 13 0.973 -6.866 -23.666 1.00 3.11 C ATOM 251 CD ARG A 13 1.875 -7.823 -22.865 1.00 60.23 C ATOM 252 NE ARG A 13 2.559 -7.159 -21.740 1.00 65.50 N ATOM 253 CZ ARG A 13 3.472 -7.706 -20.926 1.00 41.43 C ATOM 254 NH1 ARG A 13 3.826 -8.985 -21.063 1.00 51.32 N ATOM 255 NH2 ARG A 13 4.033 -6.963 -19.976 1.00 2.05 N1+ ATOM 0 H ARG A 13 1.035 -3.152 -24.008 1.00 41.41 H new ATOM 0 HA ARG A 13 3.163 -5.074 -23.350 1.00 74.21 H new ATOM 0 HB2 ARG A 13 1.001 -5.580 -25.387 1.00 31.34 H new ATOM 0 HB3 ARG A 13 2.469 -6.511 -25.166 1.00 31.34 H new ATOM 0 HG2 ARG A 13 0.400 -6.259 -22.965 1.00 3.11 H new ATOM 0 HG3 ARG A 13 0.256 -7.458 -24.235 1.00 3.11 H new ATOM 0 HD2 ARG A 13 1.273 -8.647 -22.482 1.00 60.23 H new ATOM 0 HD3 ARG A 13 2.620 -8.256 -23.532 1.00 60.23 H new ATOM 0 HE ARG A 13 2.312 -6.185 -21.564 1.00 65.50 H new ATOM 0 HH11 ARG A 13 3.401 -9.557 -21.793 1.00 51.32 H new ATOM 0 HH12 ARG A 13 4.522 -9.391 -20.438 1.00 51.32 H new ATOM 0 HH21 ARG A 13 3.767 -5.984 -19.871 1.00 2.05 H new ATOM 0 HH22 ARG A 13 4.729 -7.372 -19.353 1.00 2.05 H new HETATM 269 N NH2 A 14 4.298 -4.117 -25.532 1.00 0.00 N TER 272 NH2 A 14