USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=1 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 VAL N :NH3+ 150:sc= -0.0865 (180deg=-0.388) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.183 -3.828 -5.674 1.00 0.00 N ATOM 2 CA VAL A 1 6.699 -3.182 -4.427 1.00 0.00 C ATOM 3 C VAL A 1 7.850 -2.887 -3.472 1.00 0.00 C ATOM 4 O VAL A 1 8.600 -3.786 -3.089 1.00 0.00 O ATOM 5 CB VAL A 1 5.661 -4.069 -3.703 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.200 -5.479 -3.513 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.270 -3.458 -2.361 1.00 0.00 C ATOM 0 H1 VAL A 1 6.442 -4.452 -6.052 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.412 -3.097 -6.377 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.035 -4.388 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 1 6.228 -2.244 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 1 4.768 -4.124 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.454 -6.088 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.422 -5.918 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.111 -5.443 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.539 -4.099 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.155 -3.367 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.837 -2.471 -2.523 1.00 0.00 H new ATOM 19 N ARG A 2 7.975 -1.624 -3.077 1.00 0.00 N ATOM 20 CA ARG A 2 9.024 -1.225 -2.149 1.00 0.00 C ATOM 21 C ARG A 2 8.709 -1.780 -0.765 1.00 0.00 C ATOM 22 O ARG A 2 9.304 -2.768 -0.332 1.00 0.00 O ATOM 23 CB ARG A 2 9.146 0.302 -2.106 1.00 0.00 C ATOM 24 CG ARG A 2 10.331 0.800 -1.292 1.00 0.00 C ATOM 25 CD ARG A 2 10.398 2.320 -1.286 1.00 0.00 C ATOM 26 NE ARG A 2 11.640 2.821 -0.694 1.00 0.00 N ATOM 27 CZ ARG A 2 12.001 2.615 0.571 1.00 0.00 C ATOM 28 NH1 ARG A 2 11.218 1.923 1.388 1.00 0.00 N ATOM 29 NH2 ARG A 2 13.148 3.107 1.021 1.00 0.00 N ATOM 0 H ARG A 2 7.367 -0.865 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 2 9.979 -1.629 -2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.233 0.679 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.229 0.719 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.252 0.433 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 2 11.255 0.395 -1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.311 2.689 -2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.548 2.716 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 2 12.268 3.362 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.334 1.545 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.500 1.769 2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.753 3.643 0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.425 2.950 1.990 1.00 0.00 H new ATOM 43 N ARG A 3 7.743 -1.158 -0.092 1.00 0.00 N ATOM 44 CA ARG A 3 7.315 -1.606 1.230 1.00 0.00 C ATOM 45 C ARG A 3 6.135 -0.786 1.742 1.00 0.00 C ATOM 46 O ARG A 3 5.881 -0.738 2.946 1.00 0.00 O ATOM 47 CB ARG A 3 8.483 -1.546 2.225 1.00 0.00 C ATOM 48 CG ARG A 3 9.099 -0.161 2.379 1.00 0.00 C ATOM 49 CD ARG A 3 8.290 0.719 3.321 1.00 0.00 C ATOM 50 NE ARG A 3 8.805 2.085 3.369 1.00 0.00 N ATOM 51 CZ ARG A 3 8.221 3.073 4.041 1.00 0.00 C ATOM 52 NH1 ARG A 3 7.094 2.854 4.706 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.764 4.282 4.044 1.00 0.00 N ATOM 0 H ARG A 3 7.242 -0.341 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 3 6.987 -2.641 1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.134 -1.887 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.257 -2.242 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.117 -0.257 2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.165 0.318 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.249 0.735 2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.307 0.290 4.323 1.00 0.00 H new ATOM 0 HE ARG A 3 9.662 2.293 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.672 1.925 4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.649 3.614 5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.629 4.454 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.317 5.041 4.559 1.00 0.00 H new ATOM 67 N PHE A 4 5.398 -0.160 0.828 1.00 0.00 N ATOM 68 CA PHE A 4 4.245 0.635 1.216 1.00 0.00 C ATOM 69 C PHE A 4 3.252 0.756 0.063 1.00 0.00 C ATOM 70 O PHE A 4 2.046 0.738 0.271 1.00 0.00 O ATOM 71 CB PHE A 4 4.674 2.026 1.700 1.00 0.00 C ATOM 72 CG PHE A 4 4.928 3.013 0.594 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.869 3.625 -0.064 1.00 0.00 C ATOM 74 CD2 PHE A 4 6.220 3.325 0.212 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.100 4.527 -1.083 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.457 4.227 -0.807 1.00 0.00 C ATOM 77 CZ PHE A 4 5.395 4.829 -1.456 1.00 0.00 C ATOM 0 H PHE A 4 5.579 -0.189 -0.175 1.00 0.00 H new ATOM 0 HA PHE A 4 3.751 0.122 2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.900 2.424 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.580 1.927 2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.854 3.393 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.053 2.858 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.269 4.996 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.471 4.462 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.578 5.534 -2.253 1.00 0.00 H new ATOM 87 N ALA A 5 3.764 0.893 -1.151 1.00 0.00 N ATOM 88 CA ALA A 5 2.912 1.034 -2.324 1.00 0.00 C ATOM 89 C ALA A 5 2.377 -0.316 -2.806 1.00 0.00 C ATOM 90 O ALA A 5 2.536 -0.692 -3.968 1.00 0.00 O ATOM 91 CB ALA A 5 3.675 1.735 -3.424 1.00 0.00 C ATOM 0 H ALA A 5 4.764 0.910 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 5 2.047 1.636 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.036 1.839 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.984 2.722 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.557 1.150 -3.685 1.00 0.00 H new ATOM 97 N TRP A 6 1.737 -1.022 -1.892 1.00 0.00 N ATOM 98 CA TRP A 6 1.143 -2.330 -2.149 1.00 0.00 C ATOM 99 C TRP A 6 -0.079 -2.471 -1.286 1.00 0.00 C ATOM 100 O TRP A 6 -1.103 -3.016 -1.692 1.00 0.00 O ATOM 101 CB TRP A 6 2.069 -3.456 -1.729 1.00 0.00 C ATOM 102 CG TRP A 6 2.554 -3.259 -0.339 1.00 0.00 C ATOM 103 CD1 TRP A 6 3.269 -2.217 0.146 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.305 -4.118 0.748 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.439 -2.349 1.499 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.864 -3.530 1.892 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.652 -5.326 0.849 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.774 -4.121 3.142 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.564 -5.931 2.087 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.120 -5.323 3.223 1.00 0.00 C ATOM 0 H TRP A 6 1.611 -0.701 -0.932 1.00 0.00 H new ATOM 0 HA TRP A 6 0.931 -2.393 -3.216 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.545 -4.409 -1.803 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.918 -3.506 -2.410 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.650 -1.400 -0.448 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.912 -1.683 2.109 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.217 -5.791 -0.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 3.202 -3.654 4.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.062 -6.882 2.182 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.031 -5.813 4.182 1.00 0.00 H new ATOM 121 N TRP A 7 0.076 -1.999 -0.058 1.00 0.00 N ATOM 122 CA TRP A 7 -0.960 -2.068 0.917 1.00 0.00 C ATOM 123 C TRP A 7 -2.047 -1.108 0.595 1.00 0.00 C ATOM 124 O TRP A 7 -3.154 -1.241 1.087 1.00 0.00 O ATOM 125 CB TRP A 7 -0.401 -1.827 2.313 1.00 0.00 C ATOM 126 CG TRP A 7 0.286 -0.508 2.502 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.588 -0.325 2.800 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.288 0.795 2.442 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.873 1.008 2.930 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.734 1.717 2.713 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.561 1.271 2.183 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.515 3.082 2.732 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.784 2.613 2.196 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.755 3.516 2.469 1.00 0.00 C ATOM 0 H TRP A 7 0.934 -1.559 0.275 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.386 -3.071 0.899 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.217 -1.901 3.032 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.305 -2.624 2.548 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.308 -1.121 2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.787 1.403 3.152 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.368 0.585 1.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.314 3.777 2.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.776 2.987 1.991 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.965 4.575 2.473 1.00 0.00 H new ATOM 145 N TRP A 8 -1.738 -0.126 -0.221 1.00 0.00 N ATOM 146 CA TRP A 8 -2.740 0.843 -0.559 1.00 0.00 C ATOM 147 C TRP A 8 -3.936 0.155 -1.090 1.00 0.00 C ATOM 148 O TRP A 8 -5.049 0.328 -0.595 1.00 0.00 O ATOM 149 CB TRP A 8 -2.286 1.809 -1.620 1.00 0.00 C ATOM 150 CG TRP A 8 -1.204 2.641 -1.190 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.123 2.222 -0.571 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.115 4.025 -1.344 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.681 3.296 -0.276 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.082 4.432 -0.762 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.952 4.946 -1.922 1.00 0.00 C ATOM 156 CZ2 TRP A 8 0.473 5.768 -0.737 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.585 6.266 -1.908 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.378 6.676 -1.317 1.00 0.00 C ATOM 0 H TRP A 8 -0.824 0.017 -0.650 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.951 1.395 0.357 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.979 1.251 -2.505 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.126 2.438 -1.915 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.099 1.193 -0.331 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.572 3.256 0.220 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.881 4.637 -2.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.403 6.076 -0.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.234 7.003 -2.358 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.115 7.724 -1.319 1.00 0.00 H new ATOM 169 N PRO A 9 -3.714 -0.619 -2.150 1.00 0.00 N ATOM 170 CA PRO A 9 -4.761 -1.321 -2.797 1.00 0.00 C ATOM 171 C PRO A 9 -5.788 -1.844 -1.806 1.00 0.00 C ATOM 172 O PRO A 9 -6.990 -1.727 -2.037 1.00 0.00 O ATOM 173 CB PRO A 9 -3.996 -2.418 -3.518 1.00 0.00 C ATOM 174 CG PRO A 9 -2.798 -1.695 -4.000 1.00 0.00 C ATOM 175 CD PRO A 9 -2.416 -0.838 -2.842 1.00 0.00 C ATOM 0 HA PRO A 9 -5.364 -0.714 -3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.735 -3.239 -2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.572 -2.845 -4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.997 -2.383 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.019 -1.098 -4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.691 -1.332 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.967 0.101 -3.165 1.00 0.00 H new ATOM 183 N PHE A 10 -5.319 -2.369 -0.673 1.00 0.00 N ATOM 184 CA PHE A 10 -6.249 -2.830 0.356 1.00 0.00 C ATOM 185 C PHE A 10 -6.480 -1.747 1.411 1.00 0.00 C ATOM 186 O PHE A 10 -7.608 -1.311 1.633 1.00 0.00 O ATOM 187 CB PHE A 10 -5.780 -4.097 1.062 1.00 0.00 C ATOM 188 CG PHE A 10 -4.362 -4.507 0.817 1.00 0.00 C ATOM 189 CD1 PHE A 10 -3.945 -4.968 -0.421 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.449 -4.450 1.850 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.636 -5.359 -0.618 1.00 0.00 C ATOM 192 CE2 PHE A 10 -2.149 -4.846 1.664 1.00 0.00 C ATOM 193 CZ PHE A 10 -1.736 -5.301 0.427 1.00 0.00 C ATOM 0 H PHE A 10 -4.331 -2.483 -0.449 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.177 -3.055 -0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.916 -3.961 2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.430 -4.918 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.649 -5.022 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.762 -4.089 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.316 -5.710 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.448 -4.802 2.485 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.712 -5.610 0.278 1.00 0.00 H new ATOM 203 N LEU A 11 -5.401 -1.338 2.070 1.00 0.00 N ATOM 204 CA LEU A 11 -5.464 -0.324 3.118 1.00 0.00 C ATOM 205 C LEU A 11 -6.152 0.957 2.645 1.00 0.00 C ATOM 206 O LEU A 11 -7.215 1.329 3.142 1.00 0.00 O ATOM 207 CB LEU A 11 -4.067 0.036 3.613 1.00 0.00 C ATOM 208 CG LEU A 11 -3.222 -1.099 4.203 1.00 0.00 C ATOM 209 CD1 LEU A 11 -1.994 -0.507 4.861 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.021 -1.926 5.200 1.00 0.00 C ATOM 0 H LEU A 11 -4.463 -1.697 1.895 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.050 -0.760 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.515 0.471 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.166 0.813 4.371 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.920 -1.770 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.386 -1.307 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.411 0.038 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.299 0.175 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.392 -2.722 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.358 -1.286 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.886 -2.363 4.700 1.00 0.00 H new ATOM 222 N ARG A 12 -5.511 1.636 1.699 1.00 0.00 N ATOM 223 CA ARG A 12 -6.014 2.895 1.157 1.00 0.00 C ATOM 224 C ARG A 12 -7.196 2.677 0.205 1.00 0.00 C ATOM 225 O ARG A 12 -7.701 3.622 -0.402 1.00 0.00 O ATOM 226 CB ARG A 12 -4.833 3.647 0.497 1.00 0.00 C ATOM 227 CG ARG A 12 -5.083 4.247 -0.881 1.00 0.00 C ATOM 228 CD ARG A 12 -5.192 3.185 -1.961 1.00 0.00 C ATOM 229 NE ARG A 12 -5.450 3.766 -3.277 1.00 0.00 N ATOM 230 CZ ARG A 12 -5.474 3.062 -4.405 1.00 0.00 C ATOM 231 NH1 ARG A 12 -5.258 1.753 -4.381 1.00 0.00 N ATOM 232 NH2 ARG A 12 -5.713 3.667 -5.562 1.00 0.00 N ATOM 0 H ARG A 12 -4.630 1.330 1.287 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.414 3.512 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.526 4.450 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.992 2.958 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.001 4.834 -0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.272 4.932 -1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.269 2.607 -1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.994 2.491 -1.708 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.622 4.770 -3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.073 1.283 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.277 1.217 -5.249 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.879 4.673 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.731 3.126 -6.426 1.00 0.00 H new ATOM 246 N ARG A 13 -7.648 1.427 0.095 1.00 0.00 N ATOM 247 CA ARG A 13 -8.777 1.093 -0.771 1.00 0.00 C ATOM 248 C ARG A 13 -9.956 2.023 -0.507 1.00 0.00 C ATOM 249 O ARG A 13 -10.221 2.316 0.678 1.00 0.00 O ATOM 250 CB ARG A 13 -9.196 -0.368 -0.561 1.00 0.00 C ATOM 251 CG ARG A 13 -10.316 -0.837 -1.481 1.00 0.00 C ATOM 252 CD ARG A 13 -11.691 -0.468 -0.941 1.00 0.00 C ATOM 253 NE ARG A 13 -11.988 -1.152 0.316 1.00 0.00 N ATOM 254 CZ ARG A 13 -13.136 -1.019 0.975 1.00 0.00 C ATOM 255 NH1 ARG A 13 -14.083 -0.215 0.511 1.00 0.00 N ATOM 256 NH2 ARG A 13 -13.337 -1.689 2.101 1.00 0.00 N ATOM 0 H ARG A 13 -7.250 0.631 0.594 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.463 1.223 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.327 -1.008 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.513 -0.498 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.184 -0.394 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.254 -1.918 -1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.743 0.610 -0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.451 -0.722 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.275 -1.766 0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.933 0.304 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.962 -0.116 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.611 -2.307 2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.218 -1.586 2.605 1.00 0.00 H new HETATM 270 N NH2 A 14 -10.109 3.096 -1.272 1.00 0.00 N TER 273 NH2 A 14