USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 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 1 VAL N :NH3+ -163:sc= -0.181 (180deg=-0.715) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.221 4.853 -5.145 1.00 0.00 N ATOM 2 CA VAL A 1 16.529 3.400 -5.105 1.00 0.00 C ATOM 3 C VAL A 1 17.377 3.051 -3.887 1.00 0.00 C ATOM 4 O VAL A 1 18.108 3.894 -3.366 1.00 0.00 O ATOM 5 CB VAL A 1 17.272 2.950 -6.377 1.00 0.00 C ATOM 6 CG1 VAL A 1 17.373 1.434 -6.429 1.00 0.00 C ATOM 7 CG2 VAL A 1 16.580 3.489 -7.619 1.00 0.00 C ATOM 0 H1 VAL A 1 15.427 5.022 -5.795 1.00 0.00 H new ATOM 0 H2 VAL A 1 15.964 5.180 -4.192 1.00 0.00 H new ATOM 0 H3 VAL A 1 17.057 5.376 -5.476 1.00 0.00 H new ATOM 0 HA VAL A 1 15.575 2.876 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 1 18.283 3.357 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 1 17.901 1.135 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 1 17.918 1.076 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.372 1.003 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 1 17.119 3.161 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.557 3.115 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 1 16.567 4.578 -7.584 1.00 0.00 H new ATOM 19 N ARG A 2 17.277 1.804 -3.440 1.00 0.00 N ATOM 20 CA ARG A 2 18.038 1.343 -2.283 1.00 0.00 C ATOM 21 C ARG A 2 18.784 0.055 -2.601 1.00 0.00 C ATOM 22 O ARG A 2 18.290 -0.795 -3.341 1.00 0.00 O ATOM 23 CB ARG A 2 17.107 1.128 -1.087 1.00 0.00 C ATOM 24 CG ARG A 2 17.066 2.306 -0.127 1.00 0.00 C ATOM 25 CD ARG A 2 16.775 1.853 1.295 1.00 0.00 C ATOM 26 NE ARG A 2 15.371 1.494 1.479 1.00 0.00 N ATOM 27 CZ ARG A 2 14.926 0.725 2.471 1.00 0.00 C ATOM 28 NH1 ARG A 2 15.769 0.235 3.371 1.00 0.00 N ATOM 29 NH2 ARG A 2 13.632 0.448 2.565 1.00 0.00 N ATOM 0 H ARG A 2 16.677 1.094 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 2 18.770 2.111 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 2 16.099 0.933 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 2 17.427 0.239 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 2 18.020 2.833 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 2 16.302 3.013 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 2 17.403 0.996 1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 2 17.040 2.650 1.990 1.00 0.00 H new ATOM 0 HE ARG A 2 14.692 1.853 0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 2 16.765 0.447 3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.421 -0.353 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.979 0.824 1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.290 -0.141 3.325 1.00 0.00 H new ATOM 43 N ARG A 3 19.980 -0.080 -2.039 1.00 0.00 N ATOM 44 CA ARG A 3 20.796 -1.263 -2.267 1.00 0.00 C ATOM 45 C ARG A 3 22.062 -1.227 -1.420 1.00 0.00 C ATOM 46 O ARG A 3 22.424 -2.215 -0.783 1.00 0.00 O ATOM 47 CB ARG A 3 21.159 -1.368 -3.747 1.00 0.00 C ATOM 48 CG ARG A 3 21.988 -2.596 -4.088 1.00 0.00 C ATOM 49 CD ARG A 3 21.826 -2.992 -5.547 1.00 0.00 C ATOM 50 NE ARG A 3 23.052 -2.772 -6.312 1.00 0.00 N ATOM 51 CZ ARG A 3 23.126 -2.874 -7.638 1.00 0.00 C ATOM 52 NH1 ARG A 3 22.050 -3.190 -8.347 1.00 0.00 N ATOM 53 NH2 ARG A 3 24.280 -2.658 -8.255 1.00 0.00 N ATOM 0 H ARG A 3 20.404 0.614 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 3 20.217 -2.139 -1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.242 -1.384 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.711 -0.475 -4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 3 23.039 -2.396 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 3 21.689 -3.427 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 3 21.544 -4.043 -5.608 1.00 0.00 H new ATOM 0 HD3 ARG A 3 21.013 -2.417 -5.991 1.00 0.00 H new ATOM 0 HE ARG A 3 23.900 -2.526 -5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 3 21.160 -3.356 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 3 22.113 -3.267 -9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 3 25.110 -2.414 -7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 3 24.338 -2.736 -9.270 1.00 0.00 H new ATOM 67 N PHE A 4 22.725 -0.079 -1.415 1.00 0.00 N ATOM 68 CA PHE A 4 23.936 0.112 -0.661 1.00 0.00 C ATOM 69 C PHE A 4 23.760 -0.294 0.798 1.00 0.00 C ATOM 70 O PHE A 4 22.713 -0.055 1.399 1.00 0.00 O ATOM 71 CB PHE A 4 24.313 1.579 -0.732 1.00 0.00 C ATOM 72 CG PHE A 4 23.189 2.488 -0.329 1.00 0.00 C ATOM 73 CD1 PHE A 4 22.815 2.606 1.001 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.503 3.219 -1.280 1.00 0.00 C ATOM 75 CE1 PHE A 4 21.778 3.441 1.370 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.465 4.055 -0.919 1.00 0.00 C ATOM 77 CZ PHE A 4 21.102 4.169 0.409 1.00 0.00 C ATOM 0 H PHE A 4 22.429 0.744 -1.939 1.00 0.00 H new ATOM 0 HA PHE A 4 24.718 -0.516 -1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.171 1.761 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.623 1.821 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.340 2.039 1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.783 3.135 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.496 3.525 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 4 20.938 4.619 -1.674 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.293 4.825 0.695 1.00 0.00 H new ATOM 87 N PRO A 5 24.794 -0.900 1.391 1.00 0.00 N ATOM 88 CA PRO A 5 24.762 -1.319 2.792 1.00 0.00 C ATOM 89 C PRO A 5 24.797 -0.118 3.740 1.00 0.00 C ATOM 90 O PRO A 5 24.219 0.928 3.450 1.00 0.00 O ATOM 91 CB PRO A 5 26.032 -2.171 2.915 1.00 0.00 C ATOM 92 CG PRO A 5 26.958 -1.610 1.898 1.00 0.00 C ATOM 93 CD PRO A 5 26.084 -1.213 0.744 1.00 0.00 C ATOM 0 HA PRO A 5 23.853 -1.857 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 5 26.457 -2.107 3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 5 25.824 -3.224 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 5 27.503 -0.752 2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 5 27.701 -2.347 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 5 26.487 -0.352 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 5 25.985 -2.020 0.017 1.00 0.00 H new ATOM 101 N TRP A 6 25.490 -0.271 4.858 1.00 0.00 N ATOM 102 CA TRP A 6 25.638 0.793 5.839 1.00 0.00 C ATOM 103 C TRP A 6 27.124 1.028 6.077 1.00 0.00 C ATOM 104 O TRP A 6 27.523 1.812 6.937 1.00 0.00 O ATOM 105 CB TRP A 6 24.928 0.443 7.155 1.00 0.00 C ATOM 106 CG TRP A 6 24.903 -1.024 7.477 1.00 0.00 C ATOM 107 CD1 TRP A 6 24.570 -2.048 6.635 1.00 0.00 C ATOM 108 CD2 TRP A 6 25.213 -1.628 8.738 1.00 0.00 C ATOM 109 NE1 TRP A 6 24.662 -3.250 7.293 1.00 0.00 N ATOM 110 CE2 TRP A 6 25.053 -3.020 8.585 1.00 0.00 C ATOM 111 CE3 TRP A 6 25.614 -1.130 9.981 1.00 0.00 C ATOM 112 CZ2 TRP A 6 25.279 -3.914 9.629 1.00 0.00 C ATOM 113 CZ3 TRP A 6 25.837 -2.018 11.015 1.00 0.00 C ATOM 114 CH2 TRP A 6 25.670 -3.397 10.833 1.00 0.00 C ATOM 0 H TRP A 6 25.966 -1.137 5.111 1.00 0.00 H new ATOM 0 HA TRP A 6 25.173 1.702 5.456 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.420 0.973 7.971 1.00 0.00 H new ATOM 0 HB3 TRP A 6 23.903 0.810 7.109 1.00 0.00 H new ATOM 0 HD1 TRP A 6 24.277 -1.929 5.602 1.00 0.00 H new ATOM 0 HE1 TRP A 6 24.470 -4.165 6.886 1.00 0.00 H new ATOM 0 HE3 TRP A 6 25.747 -0.069 10.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 25.150 -4.978 9.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 26.145 -1.643 11.980 1.00 0.00 H new ATOM 0 HH2 TRP A 6 25.854 -4.066 11.661 1.00 0.00 H new ATOM 125 N TRP A 7 27.932 0.327 5.282 1.00 0.00 N ATOM 126 CA TRP A 7 29.375 0.415 5.346 1.00 0.00 C ATOM 127 C TRP A 7 29.936 0.845 3.987 1.00 0.00 C ATOM 128 O TRP A 7 31.147 0.986 3.819 1.00 0.00 O ATOM 129 CB TRP A 7 29.948 -0.941 5.756 1.00 0.00 C ATOM 130 CG TRP A 7 29.654 -2.031 4.771 1.00 0.00 C ATOM 131 CD1 TRP A 7 28.610 -2.910 4.813 1.00 0.00 C ATOM 132 CD2 TRP A 7 30.409 -2.359 3.599 1.00 0.00 C ATOM 133 NE1 TRP A 7 28.668 -3.764 3.739 1.00 0.00 N ATOM 134 CE2 TRP A 7 29.762 -3.445 2.978 1.00 0.00 C ATOM 135 CE3 TRP A 7 31.566 -1.839 3.012 1.00 0.00 C ATOM 136 CZ2 TRP A 7 30.236 -4.021 1.802 1.00 0.00 C ATOM 137 CZ3 TRP A 7 32.035 -2.412 1.843 1.00 0.00 C ATOM 138 CH2 TRP A 7 31.370 -3.492 1.249 1.00 0.00 C ATOM 0 H TRP A 7 27.592 -0.321 4.572 1.00 0.00 H new ATOM 0 HA TRP A 7 29.661 1.161 6.087 1.00 0.00 H new ATOM 0 HB2 TRP A 7 31.028 -0.850 5.875 1.00 0.00 H new ATOM 0 HB3 TRP A 7 29.542 -1.220 6.728 1.00 0.00 H new ATOM 0 HD1 TRP A 7 27.849 -2.931 5.579 1.00 0.00 H new ATOM 0 HE1 TRP A 7 28.005 -4.513 3.540 1.00 0.00 H new ATOM 0 HE3 TRP A 7 32.084 -1.005 3.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 29.727 -4.855 1.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 32.929 -2.020 1.381 1.00 0.00 H new ATOM 0 HH2 TRP A 7 31.760 -3.916 0.336 1.00 0.00 H new ATOM 149 N TRP A 8 29.033 1.067 3.023 1.00 0.00 N ATOM 150 CA TRP A 8 29.408 1.495 1.693 1.00 0.00 C ATOM 151 C TRP A 8 29.976 2.917 1.698 1.00 0.00 C ATOM 152 O TRP A 8 30.810 3.248 0.860 1.00 0.00 O ATOM 153 CB TRP A 8 28.187 1.425 0.769 1.00 0.00 C ATOM 154 CG TRP A 8 27.538 2.751 0.545 1.00 0.00 C ATOM 155 CD1 TRP A 8 27.851 3.660 -0.407 1.00 0.00 C ATOM 156 CD2 TRP A 8 26.485 3.316 1.311 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.031 4.760 -0.300 1.00 0.00 N ATOM 158 CE2 TRP A 8 26.181 4.570 0.757 1.00 0.00 C ATOM 159 CE3 TRP A 8 25.769 2.870 2.411 1.00 0.00 C ATOM 160 CZ2 TRP A 8 25.178 5.386 1.273 1.00 0.00 C ATOM 161 CZ3 TRP A 8 24.776 3.675 2.930 1.00 0.00 C ATOM 162 CH2 TRP A 8 24.485 4.922 2.359 1.00 0.00 C ATOM 0 H TRP A 8 28.028 0.952 3.155 1.00 0.00 H new ATOM 0 HA TRP A 8 30.188 0.826 1.329 1.00 0.00 H new ATOM 0 HB2 TRP A 8 28.491 1.010 -0.192 1.00 0.00 H new ATOM 0 HB3 TRP A 8 27.456 0.738 1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.631 3.540 -1.144 1.00 0.00 H new ATOM 0 HE1 TRP A 8 27.053 5.580 -0.907 1.00 0.00 H new ATOM 0 HE3 TRP A 8 25.985 1.909 2.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 24.955 6.347 0.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 24.214 3.339 3.789 1.00 0.00 H new ATOM 0 HH2 TRP A 8 23.699 5.528 2.784 1.00 0.00 H new ATOM 173 N PRO A 9 29.511 3.801 2.611 1.00 0.00 N ATOM 174 CA PRO A 9 29.952 5.179 2.680 1.00 0.00 C ATOM 175 C PRO A 9 31.423 5.376 2.304 1.00 0.00 C ATOM 176 O PRO A 9 31.793 6.407 1.744 1.00 0.00 O ATOM 177 CB PRO A 9 29.725 5.556 4.157 1.00 0.00 C ATOM 178 CG PRO A 9 29.040 4.377 4.776 1.00 0.00 C ATOM 179 CD PRO A 9 28.490 3.584 3.631 1.00 0.00 C ATOM 0 HA PRO A 9 29.407 5.798 1.968 1.00 0.00 H new ATOM 0 HB2 PRO A 9 30.670 5.766 4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 9 29.113 6.454 4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 9 29.738 3.782 5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 9 28.245 4.695 5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.376 2.529 3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 9 27.511 3.944 3.315 1.00 0.00 H new ATOM 187 N PHE A 10 32.260 4.389 2.624 1.00 0.00 N ATOM 188 CA PHE A 10 33.689 4.476 2.325 1.00 0.00 C ATOM 189 C PHE A 10 34.175 3.268 1.521 1.00 0.00 C ATOM 190 O PHE A 10 35.357 2.929 1.559 1.00 0.00 O ATOM 191 CB PHE A 10 34.504 4.592 3.619 1.00 0.00 C ATOM 192 CG PHE A 10 33.716 5.097 4.796 1.00 0.00 C ATOM 193 CD1 PHE A 10 33.338 6.428 4.876 1.00 0.00 C ATOM 194 CD2 PHE A 10 33.354 4.238 5.822 1.00 0.00 C ATOM 195 CE1 PHE A 10 32.614 6.892 5.958 1.00 0.00 C ATOM 196 CE2 PHE A 10 32.630 4.697 6.905 1.00 0.00 C ATOM 197 CZ PHE A 10 32.260 6.026 6.973 1.00 0.00 C ATOM 0 H PHE A 10 31.976 3.526 3.087 1.00 0.00 H new ATOM 0 HA PHE A 10 33.837 5.371 1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 10 34.917 3.614 3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.348 5.260 3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 10 33.612 7.110 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 10 33.641 3.198 5.774 1.00 0.00 H new ATOM 0 HE1 PHE A 10 32.325 7.931 6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.354 4.018 7.698 1.00 0.00 H new ATOM 0 HZ PHE A 10 31.694 6.387 7.819 1.00 0.00 H new ATOM 207 N LEU A 11 33.267 2.624 0.793 1.00 0.00 N ATOM 208 CA LEU A 11 33.629 1.459 -0.012 1.00 0.00 C ATOM 209 C LEU A 11 33.976 1.868 -1.442 1.00 0.00 C ATOM 210 O LEU A 11 33.923 3.047 -1.792 1.00 0.00 O ATOM 211 CB LEU A 11 32.490 0.426 -0.007 1.00 0.00 C ATOM 212 CG LEU A 11 31.535 0.467 -1.209 1.00 0.00 C ATOM 213 CD1 LEU A 11 30.420 -0.555 -1.040 1.00 0.00 C ATOM 214 CD2 LEU A 11 30.954 1.861 -1.392 1.00 0.00 C ATOM 0 H LEU A 11 32.282 2.886 0.743 1.00 0.00 H new ATOM 0 HA LEU A 11 34.513 1.002 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 11 32.930 -0.570 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.904 0.566 0.901 1.00 0.00 H new ATOM 0 HG LEU A 11 32.105 0.215 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.753 -0.512 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.850 -1.554 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 11 29.857 -0.333 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 11 30.281 1.865 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.402 2.146 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 11 31.762 2.573 -1.562 1.00 0.00 H new ATOM 226 N ARG A 12 34.331 0.884 -2.263 1.00 0.00 N ATOM 227 CA ARG A 12 34.686 1.139 -3.654 1.00 0.00 C ATOM 228 C ARG A 12 34.141 0.042 -4.564 1.00 0.00 C ATOM 229 O ARG A 12 33.250 0.283 -5.378 1.00 0.00 O ATOM 230 CB ARG A 12 36.206 1.246 -3.816 1.00 0.00 C ATOM 231 CG ARG A 12 36.996 0.412 -2.816 1.00 0.00 C ATOM 232 CD ARG A 12 38.136 -0.340 -3.486 1.00 0.00 C ATOM 233 NE ARG A 12 39.427 -0.032 -2.876 1.00 0.00 N ATOM 234 CZ ARG A 12 40.080 1.113 -3.059 1.00 0.00 C ATOM 235 NH1 ARG A 12 39.565 2.063 -3.829 1.00 0.00 N ATOM 236 NH2 ARG A 12 41.252 1.309 -2.468 1.00 0.00 N ATOM 0 H ARG A 12 34.380 -0.097 -1.988 1.00 0.00 H new ATOM 0 HA ARG A 12 34.235 2.088 -3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 12 36.476 0.936 -4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 12 36.499 2.291 -3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 12 37.396 1.061 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 12 36.329 -0.298 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 12 37.951 -1.412 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 12 38.165 -0.085 -4.545 1.00 0.00 H new ATOM 0 HE ARG A 12 39.853 -0.736 -2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 12 38.664 1.918 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 12 40.070 2.939 -3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 12 41.652 0.582 -1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 12 41.753 2.186 -2.608 1.00 0.00 H new ATOM 250 N ARG A 13 34.681 -1.164 -4.420 1.00 0.00 N ATOM 251 CA ARG A 13 34.248 -2.296 -5.228 1.00 0.00 C ATOM 252 C ARG A 13 32.770 -2.596 -4.997 1.00 0.00 C ATOM 253 O ARG A 13 31.972 -2.396 -5.937 1.00 0.00 O ATOM 254 CB ARG A 13 35.087 -3.534 -4.906 1.00 0.00 C ATOM 255 CG ARG A 13 35.063 -4.588 -6.001 1.00 0.00 C ATOM 256 CD ARG A 13 36.239 -5.546 -5.881 1.00 0.00 C ATOM 257 NE ARG A 13 36.829 -5.854 -7.182 1.00 0.00 N ATOM 258 CZ ARG A 13 37.458 -4.960 -7.941 1.00 0.00 C ATOM 259 NH1 ARG A 13 37.580 -3.703 -7.536 1.00 0.00 N ATOM 260 NH2 ARG A 13 37.967 -5.326 -9.111 1.00 0.00 N ATOM 261 OXT ARG A 13 32.423 -3.030 -3.878 1.00 0.00 O ATOM 0 H ARG A 13 35.419 -1.381 -3.751 1.00 0.00 H new ATOM 0 HA ARG A 13 34.389 -2.034 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 13 36.118 -3.228 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.724 -3.977 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.130 -5.148 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 13 35.087 -4.101 -6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 13 36.998 -5.108 -5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.908 -6.469 -5.405 1.00 0.00 H new ATOM 0 HE ARG A 13 36.754 -6.810 -7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.191 -3.416 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 13 38.063 -3.023 -8.123 1.00 0.00 H new ATOM 0 HH21 ARG A 13 37.876 -6.291 -9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.449 -4.642 -9.694 1.00 0.00 H new TER 275 ARG A 13