USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 136 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+ 160:sc= -4.93! (180deg=-6.21!) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= -5.68! (180deg=-6.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -12.788 -9.446 -6.810 1.00 0.00 N ATOM 2 CA ILE A 1 -11.942 -8.597 -5.921 1.00 0.00 C ATOM 3 C ILE A 1 -12.790 -8.021 -4.784 1.00 0.00 C ATOM 4 O ILE A 1 -13.968 -7.767 -4.942 1.00 0.00 O ATOM 5 CB ILE A 1 -11.403 -7.471 -6.808 1.00 0.00 C ATOM 6 CG1 ILE A 1 -12.577 -6.660 -7.390 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.543 -8.057 -7.935 1.00 0.00 C ATOM 8 CD1 ILE A 1 -13.097 -7.302 -8.683 1.00 0.00 C ATOM 0 H1 ILE A 1 -12.322 -9.553 -7.734 1.00 0.00 H new ATOM 0 H2 ILE A 1 -12.917 -10.382 -6.376 1.00 0.00 H new ATOM 0 H3 ILE A 1 -13.716 -8.995 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 1 -11.133 -9.168 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.781 -6.806 -6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -13.383 -6.602 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -12.255 -5.638 -7.590 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -10.164 -7.249 -8.561 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -9.706 -8.607 -7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.148 -8.732 -8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -13.925 -6.712 -9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -12.295 -7.336 -9.420 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -13.441 -8.315 -8.474 1.00 0.00 H new ATOM 22 N LEU A 2 -12.199 -7.812 -3.640 1.00 0.00 N ATOM 23 CA LEU A 2 -12.970 -7.252 -2.495 1.00 0.00 C ATOM 24 C LEU A 2 -12.426 -5.859 -2.136 1.00 0.00 C ATOM 25 O LEU A 2 -11.235 -5.684 -1.969 1.00 0.00 O ATOM 26 CB LEU A 2 -12.759 -8.270 -1.358 1.00 0.00 C ATOM 27 CG LEU A 2 -12.428 -7.563 -0.039 1.00 0.00 C ATOM 28 CD1 LEU A 2 -13.628 -6.726 0.410 1.00 0.00 C ATOM 29 CD2 LEU A 2 -12.106 -8.608 1.033 1.00 0.00 C ATOM 0 H LEU A 2 -11.216 -8.005 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 2 -14.030 -7.114 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -13.658 -8.874 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.951 -8.952 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.566 -6.912 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.391 -6.224 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.858 -5.981 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.491 -7.376 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.870 -8.106 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -12.968 -9.260 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.250 -9.203 0.715 1.00 0.00 H new ATOM 41 N PRO A 3 -13.323 -4.916 -2.029 1.00 0.00 N ATOM 42 CA PRO A 3 -12.930 -3.527 -1.687 1.00 0.00 C ATOM 43 C PRO A 3 -12.533 -3.435 -0.212 1.00 0.00 C ATOM 44 O PRO A 3 -13.369 -3.269 0.656 1.00 0.00 O ATOM 45 CB PRO A 3 -14.195 -2.720 -1.963 1.00 0.00 C ATOM 46 CG PRO A 3 -15.318 -3.700 -1.834 1.00 0.00 C ATOM 47 CD PRO A 3 -14.772 -5.052 -2.215 1.00 0.00 C ATOM 0 HA PRO A 3 -12.071 -3.170 -2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -14.303 -1.901 -1.252 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.171 -2.277 -2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.702 -3.713 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.148 -3.423 -2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.183 -5.840 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.020 -5.306 -3.246 1.00 0.00 H new ATOM 55 N TRP A 4 -11.265 -3.539 0.079 1.00 0.00 N ATOM 56 CA TRP A 4 -10.820 -3.458 1.501 1.00 0.00 C ATOM 57 C TRP A 4 -9.304 -3.575 1.591 1.00 0.00 C ATOM 58 O TRP A 4 -8.642 -2.815 2.270 1.00 0.00 O ATOM 59 CB TRP A 4 -11.494 -4.638 2.194 1.00 0.00 C ATOM 60 CG TRP A 4 -11.693 -4.322 3.640 1.00 0.00 C ATOM 61 CD1 TRP A 4 -10.706 -4.118 4.541 1.00 0.00 C ATOM 62 CD2 TRP A 4 -12.943 -4.172 4.359 1.00 0.00 C ATOM 63 NE1 TRP A 4 -11.278 -3.851 5.774 1.00 0.00 N ATOM 64 CE2 TRP A 4 -12.657 -3.873 5.709 1.00 0.00 C ATOM 65 CE3 TRP A 4 -14.285 -4.267 3.967 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -13.676 -3.673 6.643 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -15.315 -4.068 4.902 1.00 0.00 C ATOM 68 CH2 TRP A 4 -15.010 -3.772 6.239 1.00 0.00 C ATOM 0 H TRP A 4 -10.519 -3.676 -0.603 1.00 0.00 H new ATOM 0 HA TRP A 4 -11.088 -2.508 1.963 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -12.453 -4.850 1.722 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -10.882 -5.533 2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -9.647 -4.157 4.334 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.747 -3.662 6.624 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -14.529 -4.495 2.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -13.435 -3.443 7.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -16.346 -4.143 4.590 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -15.805 -3.621 6.955 1.00 0.00 H new ATOM 79 N LYS A 5 -8.761 -4.527 0.909 1.00 0.00 N ATOM 80 CA LYS A 5 -7.284 -4.727 0.932 1.00 0.00 C ATOM 81 C LYS A 5 -6.620 -3.890 -0.164 1.00 0.00 C ATOM 82 O LYS A 5 -6.830 -4.109 -1.341 1.00 0.00 O ATOM 83 CB LYS A 5 -7.082 -6.218 0.664 1.00 0.00 C ATOM 84 CG LYS A 5 -7.320 -7.005 1.955 1.00 0.00 C ATOM 85 CD LYS A 5 -8.785 -7.435 2.028 1.00 0.00 C ATOM 86 CE LYS A 5 -9.142 -7.796 3.472 1.00 0.00 C ATOM 87 NZ LYS A 5 -10.622 -7.942 3.479 1.00 0.00 N ATOM 0 H LYS A 5 -9.276 -5.188 0.327 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.840 -4.419 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.769 -6.555 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.072 -6.399 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.671 -7.880 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.067 -6.391 2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.429 -6.630 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.956 -8.291 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.653 -8.720 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.819 -7.019 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.967 -7.936 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.051 -7.152 2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.884 -8.840 3.026 1.00 0.00 H new ATOM 101 N TRP A 6 -5.819 -2.931 0.212 1.00 0.00 N ATOM 102 CA TRP A 6 -5.141 -2.082 -0.807 1.00 0.00 C ATOM 103 C TRP A 6 -3.681 -2.507 -0.968 1.00 0.00 C ATOM 104 O TRP A 6 -3.051 -2.942 -0.026 1.00 0.00 O ATOM 105 CB TRP A 6 -5.228 -0.661 -0.255 1.00 0.00 C ATOM 106 CG TRP A 6 -6.093 0.160 -1.144 1.00 0.00 C ATOM 107 CD1 TRP A 6 -7.438 0.160 -1.141 1.00 0.00 C ATOM 108 CD2 TRP A 6 -5.682 1.098 -2.162 1.00 0.00 C ATOM 109 NE1 TRP A 6 -7.885 1.051 -2.104 1.00 0.00 N ATOM 110 CE2 TRP A 6 -6.830 1.654 -2.762 1.00 0.00 C ATOM 111 CE3 TRP A 6 -4.427 1.508 -2.611 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -6.731 2.599 -3.786 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -4.313 2.457 -3.639 1.00 0.00 C ATOM 114 CH2 TRP A 6 -5.467 3.002 -4.228 1.00 0.00 C ATOM 0 H TRP A 6 -5.605 -2.699 1.182 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.604 -2.168 -1.790 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.636 -0.676 0.756 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.232 -0.222 -0.191 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -8.066 -0.436 -0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -8.868 1.238 -2.302 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.536 1.092 -2.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.622 3.015 -4.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.336 2.769 -3.978 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.378 3.730 -5.020 1.00 0.00 H new ATOM 125 N PRO A 7 -3.194 -2.363 -2.170 1.00 0.00 N ATOM 126 CA PRO A 7 -1.792 -2.735 -2.476 1.00 0.00 C ATOM 127 C PRO A 7 -0.827 -1.691 -1.905 1.00 0.00 C ATOM 128 O PRO A 7 -0.294 -0.867 -2.621 1.00 0.00 O ATOM 129 CB PRO A 7 -1.748 -2.743 -4.000 1.00 0.00 C ATOM 130 CG PRO A 7 -2.849 -1.825 -4.429 1.00 0.00 C ATOM 131 CD PRO A 7 -3.900 -1.844 -3.347 1.00 0.00 C ATOM 0 HA PRO A 7 -1.496 -3.690 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.782 -2.398 -4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.898 -3.749 -4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.470 -0.814 -4.578 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.271 -2.150 -5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.301 -0.847 -3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.741 -2.481 -3.620 1.00 0.00 H new ATOM 139 N TRP A 8 -0.600 -1.720 -0.621 1.00 0.00 N ATOM 140 CA TRP A 8 0.329 -0.729 -0.004 1.00 0.00 C ATOM 141 C TRP A 8 1.429 -1.444 0.781 1.00 0.00 C ATOM 142 O TRP A 8 1.729 -1.091 1.903 1.00 0.00 O ATOM 143 CB TRP A 8 -0.537 0.085 0.949 1.00 0.00 C ATOM 144 CG TRP A 8 0.308 1.099 1.638 1.00 0.00 C ATOM 145 CD1 TRP A 8 1.331 1.798 1.092 1.00 0.00 C ATOM 146 CD2 TRP A 8 0.204 1.528 3.008 1.00 0.00 C ATOM 147 NE1 TRP A 8 1.861 2.633 2.064 1.00 0.00 N ATOM 148 CE2 TRP A 8 1.193 2.497 3.266 1.00 0.00 C ATOM 149 CE3 TRP A 8 -0.659 1.154 4.032 1.00 0.00 C ATOM 150 CZ2 TRP A 8 1.320 3.085 4.527 1.00 0.00 C ATOM 151 CZ3 TRP A 8 -0.542 1.735 5.304 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.448 2.699 5.553 1.00 0.00 C ATOM 0 H TRP A 8 -1.017 -2.387 0.029 1.00 0.00 H new ATOM 0 HA TRP A 8 0.818 -0.110 -0.756 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.340 0.577 0.399 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.008 -0.571 1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.676 1.719 0.072 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.645 3.267 1.911 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.423 0.413 3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.082 3.829 4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.216 1.440 6.094 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.537 3.142 6.534 1.00 0.00 H new ATOM 163 N TRP A 9 2.034 -2.444 0.206 1.00 0.00 N ATOM 164 CA TRP A 9 3.109 -3.173 0.921 1.00 0.00 C ATOM 165 C TRP A 9 4.124 -2.185 1.505 1.00 0.00 C ATOM 166 O TRP A 9 4.929 -1.627 0.788 1.00 0.00 O ATOM 167 CB TRP A 9 3.754 -4.030 -0.157 1.00 0.00 C ATOM 168 CG TRP A 9 2.855 -5.162 -0.549 1.00 0.00 C ATOM 169 CD1 TRP A 9 3.181 -6.138 -1.427 1.00 0.00 C ATOM 170 CD2 TRP A 9 1.497 -5.457 -0.103 1.00 0.00 C ATOM 171 NE1 TRP A 9 2.118 -7.011 -1.549 1.00 0.00 N ATOM 172 CE2 TRP A 9 1.055 -6.635 -0.752 1.00 0.00 C ATOM 173 CE3 TRP A 9 0.618 -4.825 0.791 1.00 0.00 C ATOM 174 CZ2 TRP A 9 -0.215 -7.166 -0.523 1.00 0.00 C ATOM 175 CZ3 TRP A 9 -0.662 -5.357 1.026 1.00 0.00 C ATOM 176 CH2 TRP A 9 -1.078 -6.525 0.370 1.00 0.00 C ATOM 0 H TRP A 9 1.827 -2.787 -0.732 1.00 0.00 H new ATOM 0 HA TRP A 9 2.736 -3.764 1.757 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.975 -3.417 -1.031 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.704 -4.423 0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 9 4.123 -6.221 -1.949 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.118 -7.833 -2.154 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.927 -3.925 1.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.529 -8.065 -1.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.330 -4.863 1.716 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -2.063 -6.928 0.555 1.00 0.00 H new ATOM 187 N PRO A 10 4.052 -2.006 2.800 1.00 0.00 N ATOM 188 CA PRO A 10 4.981 -1.078 3.493 1.00 0.00 C ATOM 189 C PRO A 10 6.403 -1.649 3.494 1.00 0.00 C ATOM 190 O PRO A 10 6.743 -2.494 2.687 1.00 0.00 O ATOM 191 CB PRO A 10 4.420 -1.005 4.912 1.00 0.00 C ATOM 192 CG PRO A 10 3.657 -2.280 5.086 1.00 0.00 C ATOM 193 CD PRO A 10 3.111 -2.642 3.732 1.00 0.00 C ATOM 0 HA PRO A 10 5.048 -0.100 3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.218 -0.918 5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.773 -0.137 5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.304 -3.070 5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.850 -2.153 5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.074 -3.722 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.096 -2.268 3.595 1.00 0.00 H new ATOM 201 N TRP A 11 7.237 -1.200 4.393 1.00 0.00 N ATOM 202 CA TRP A 11 8.636 -1.726 4.437 1.00 0.00 C ATOM 203 C TRP A 11 8.714 -2.946 5.351 1.00 0.00 C ATOM 204 O TRP A 11 8.970 -4.050 4.913 1.00 0.00 O ATOM 205 CB TRP A 11 9.493 -0.582 4.986 1.00 0.00 C ATOM 206 CG TRP A 11 10.719 -0.444 4.155 1.00 0.00 C ATOM 207 CD1 TRP A 11 11.815 -1.235 4.201 1.00 0.00 C ATOM 208 CD2 TRP A 11 10.974 0.553 3.156 1.00 0.00 C ATOM 209 NE1 TRP A 11 12.734 -0.768 3.272 1.00 0.00 N ATOM 210 CE2 TRP A 11 12.251 0.343 2.600 1.00 0.00 C ATOM 211 CE3 TRP A 11 10.204 1.612 2.694 1.00 0.00 C ATOM 212 CZ2 TRP A 11 12.752 1.174 1.598 1.00 0.00 C ATOM 213 CZ3 TRP A 11 10.692 2.460 1.685 1.00 0.00 C ATOM 214 CH2 TRP A 11 11.969 2.241 1.138 1.00 0.00 C ATOM 0 H TRP A 11 7.014 -0.496 5.096 1.00 0.00 H new ATOM 0 HA TRP A 11 8.980 -2.044 3.453 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.926 0.349 4.976 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.763 -0.780 6.023 1.00 0.00 H new ATOM 0 HD1 TRP A 11 11.952 -2.086 4.851 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.648 -1.189 3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.224 1.785 3.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 13.733 0.997 1.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.086 3.280 1.330 1.00 0.00 H new ATOM 0 HH2 TRP A 11 12.345 2.894 0.365 1.00 0.00 H new ATOM 225 N ARG A 12 8.493 -2.754 6.616 1.00 0.00 N ATOM 226 CA ARG A 12 8.551 -3.885 7.569 1.00 0.00 C ATOM 227 C ARG A 12 7.207 -4.048 8.282 1.00 0.00 C ATOM 228 O ARG A 12 6.248 -3.364 7.982 1.00 0.00 O ATOM 229 CB ARG A 12 9.648 -3.502 8.562 1.00 0.00 C ATOM 230 CG ARG A 12 9.444 -2.077 9.091 1.00 0.00 C ATOM 231 CD ARG A 12 8.193 -2.027 9.974 1.00 0.00 C ATOM 232 NE ARG A 12 7.150 -1.394 9.125 1.00 0.00 N ATOM 233 CZ ARG A 12 6.466 -0.381 9.579 1.00 0.00 C ATOM 234 NH1 ARG A 12 7.085 0.700 9.971 1.00 0.00 N ATOM 235 NH2 ARG A 12 5.164 -0.446 9.638 1.00 0.00 N ATOM 0 H ARG A 12 8.272 -1.850 7.034 1.00 0.00 H new ATOM 0 HA ARG A 12 8.760 -4.834 7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.650 -4.205 9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.622 -3.577 8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.317 -1.763 9.663 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.341 -1.381 8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.892 -3.026 10.290 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.371 -1.447 10.879 1.00 0.00 H new ATOM 0 HE ARG A 12 6.969 -1.752 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.103 0.751 9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.551 1.493 10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.681 -1.290 9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.629 0.347 9.993 1.00 0.00 H new ATOM 249 N ARG A 13 7.129 -4.946 9.222 1.00 0.00 N ATOM 250 CA ARG A 13 5.849 -5.152 9.952 1.00 0.00 C ATOM 251 C ARG A 13 5.979 -4.622 11.385 1.00 0.00 C ATOM 252 O ARG A 13 6.363 -5.343 12.284 1.00 0.00 O ATOM 253 CB ARG A 13 5.643 -6.668 9.937 1.00 0.00 C ATOM 254 CG ARG A 13 4.716 -7.080 11.080 1.00 0.00 C ATOM 255 CD ARG A 13 3.618 -7.999 10.541 1.00 0.00 C ATOM 256 NE ARG A 13 2.826 -7.143 9.614 1.00 0.00 N ATOM 257 CZ ARG A 13 2.002 -7.691 8.764 1.00 0.00 C ATOM 258 NH1 ARG A 13 2.414 -8.648 7.979 1.00 0.00 N ATOM 259 NH2 ARG A 13 0.764 -7.281 8.698 1.00 0.00 N ATOM 0 H ARG A 13 7.898 -5.548 9.517 1.00 0.00 H new ATOM 0 HA ARG A 13 5.008 -4.626 9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.216 -6.976 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.603 -7.175 10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.284 -7.592 11.857 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.273 -6.196 11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.041 -8.858 10.021 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.997 -8.389 11.348 1.00 0.00 H new ATOM 0 HE ARG A 13 2.928 -6.129 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.381 -8.968 8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.769 -9.076 7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.441 -6.532 9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.120 -7.709 8.033 1.00 0.00 H new HETATM 273 N NH2 A 14 5.669 -3.380 11.636 1.00 0.00 N TER 276 NH2 A 14