USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 144 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 ARG N :NH3+ -120:sc= -1.69 (180deg=-5.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.732 1.396 1.975 1.00 0.00 N1+ ATOM 2 CA ARG A 1 -7.969 0.346 2.712 1.00 0.00 C ATOM 3 C ARG A 1 -6.612 0.083 2.064 1.00 0.00 C ATOM 4 O ARG A 1 -5.634 -0.220 2.748 1.00 0.00 O ATOM 5 CB ARG A 1 -8.796 -0.943 2.737 1.00 0.00 C ATOM 6 CG ARG A 1 -9.728 -1.043 3.933 1.00 0.00 C ATOM 7 CD ARG A 1 -11.141 -1.414 3.512 1.00 0.00 C ATOM 8 NE ARG A 1 -11.917 -0.243 3.111 1.00 0.00 N ATOM 9 CZ ARG A 1 -13.243 -0.236 2.998 1.00 0.00 C ATOM 10 NH1 ARG A 1 -13.945 -1.332 3.258 1.00 0.00 N ATOM 11 NH2 ARG A 1 -13.870 0.871 2.625 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.929 2.194 2.612 1.00 0.00 H new ATOM 0 H2 ARG A 1 -8.170 1.730 1.166 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.629 0.997 1.632 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.786 0.696 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.385 -1.005 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.121 -1.798 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.348 -1.790 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.744 -0.091 4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -11.099 -2.122 2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.645 -1.918 4.337 1.00 0.00 H new ATOM 0 HE ARG A 1 -11.413 0.620 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -13.468 -2.186 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -14.961 -1.320 3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -13.336 1.717 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -14.886 0.877 2.538 1.00 0.00 H new ATOM 27 N ARG A 2 -6.563 0.197 0.742 1.00 0.00 N ATOM 28 CA ARG A 2 -5.329 -0.030 -0.002 1.00 0.00 C ATOM 29 C ARG A 2 -4.656 1.296 -0.348 1.00 0.00 C ATOM 30 O ARG A 2 -4.133 1.470 -1.449 1.00 0.00 O ATOM 31 CB ARG A 2 -5.616 -0.823 -1.281 1.00 0.00 C ATOM 32 CG ARG A 2 -6.806 -1.767 -1.167 1.00 0.00 C ATOM 33 CD ARG A 2 -8.057 -1.164 -1.786 1.00 0.00 C ATOM 34 NE ARG A 2 -9.110 -2.157 -1.978 1.00 0.00 N ATOM 35 CZ ARG A 2 -10.330 -1.864 -2.422 1.00 0.00 C ATOM 36 NH1 ARG A 2 -10.656 -0.610 -2.712 1.00 0.00 N ATOM 37 NH2 ARG A 2 -11.228 -2.828 -2.576 1.00 0.00 N ATOM 0 H ARG A 2 -7.364 0.446 0.162 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.653 -0.608 0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.796 -0.124 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.730 -1.401 -1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.572 -2.710 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.992 -1.995 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.427 -0.363 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.805 -0.714 -2.746 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.899 -3.131 -1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.970 0.135 -2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.593 -0.392 -3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.983 -3.793 -2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.163 -2.604 -2.916 1.00 0.00 H new ATOM 51 N LEU A 3 -4.661 2.222 0.606 1.00 0.00 N ATOM 52 CA LEU A 3 -4.035 3.531 0.408 1.00 0.00 C ATOM 53 C LEU A 3 -2.555 3.443 0.727 1.00 0.00 C ATOM 54 O LEU A 3 -1.701 3.665 -0.128 1.00 0.00 O ATOM 55 CB LEU A 3 -4.698 4.604 1.283 1.00 0.00 C ATOM 56 CG LEU A 3 -5.316 4.109 2.593 1.00 0.00 C ATOM 57 CD1 LEU A 3 -5.195 5.171 3.675 1.00 0.00 C ATOM 58 CD2 LEU A 3 -6.773 3.728 2.378 1.00 0.00 C ATOM 0 H LEU A 3 -5.090 2.094 1.523 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.168 3.819 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.953 5.364 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.477 5.092 0.698 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.771 3.224 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.640 4.801 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.143 5.399 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.716 6.075 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.200 3.378 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.329 4.598 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.836 2.935 1.633 1.00 0.00 H new ATOM 70 N ILE A 4 -2.272 3.072 1.966 1.00 0.00 N ATOM 71 CA ILE A 4 -0.912 2.893 2.436 1.00 0.00 C ATOM 72 C ILE A 4 -0.293 1.673 1.790 1.00 0.00 C ATOM 73 O ILE A 4 0.913 1.464 1.837 1.00 0.00 O ATOM 74 CB ILE A 4 -0.842 2.756 3.968 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.704 1.584 4.441 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.283 4.051 4.634 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.195 0.931 5.709 1.00 0.00 C ATOM 0 H ILE A 4 -2.983 2.887 2.674 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.353 3.785 2.154 1.00 0.00 H new ATOM 0 HB ILE A 4 0.191 2.556 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.722 1.936 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.751 0.835 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.229 3.940 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.628 4.863 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.309 4.279 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.855 0.109 5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.188 0.548 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.175 1.666 6.514 1.00 0.00 H new ATOM 89 N ARG A 5 -1.165 0.858 1.244 1.00 0.00 N ATOM 90 CA ARG A 5 -0.810 -0.400 0.623 1.00 0.00 C ATOM 91 C ARG A 5 -0.208 -0.234 -0.729 1.00 0.00 C ATOM 92 O ARG A 5 0.972 -0.502 -0.902 1.00 0.00 O ATOM 93 CB ARG A 5 -2.060 -1.229 0.550 1.00 0.00 C ATOM 94 CG ARG A 5 -2.506 -1.522 1.940 1.00 0.00 C ATOM 95 CD ARG A 5 -1.491 -2.444 2.570 1.00 0.00 C ATOM 96 NE ARG A 5 -2.071 -3.729 2.955 1.00 0.00 N ATOM 97 CZ ARG A 5 -1.490 -4.584 3.794 1.00 0.00 C ATOM 98 NH1 ARG A 5 -0.312 -4.296 4.333 1.00 0.00 N ATOM 99 NH2 ARG A 5 -2.089 -5.729 4.095 1.00 0.00 N ATOM 0 H ARG A 5 -2.166 1.055 1.218 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.043 -0.888 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.839 -0.695 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.870 -2.156 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.592 -0.600 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.492 -1.987 1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.673 -2.613 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.063 -1.963 3.450 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.974 -3.986 2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.152 -3.417 4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.129 -4.954 4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.995 -5.954 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.644 -6.384 4.738 1.00 0.00 H new ATOM 113 N LEU A 6 -0.980 0.276 -1.676 1.00 0.00 N ATOM 114 CA LEU A 6 -0.444 0.533 -3.002 1.00 0.00 C ATOM 115 C LEU A 6 0.884 1.243 -2.839 1.00 0.00 C ATOM 116 O LEU A 6 1.712 1.293 -3.748 1.00 0.00 O ATOM 117 CB LEU A 6 -1.415 1.369 -3.843 1.00 0.00 C ATOM 118 CG LEU A 6 -2.275 0.571 -4.824 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.413 -0.023 -5.927 1.00 0.00 C ATOM 120 CD2 LEU A 6 -3.037 -0.524 -4.094 1.00 0.00 C ATOM 0 H LEU A 6 -1.964 0.517 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.303 -0.409 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.073 1.919 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.843 2.108 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.997 1.248 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.042 -0.587 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.911 0.779 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.668 -0.687 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.644 -1.082 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.330 -1.200 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.684 -0.076 -3.339 1.00 0.00 H new ATOM 132 N ILE A 7 1.062 1.781 -1.639 1.00 0.00 N ATOM 133 CA ILE A 7 2.233 2.477 -1.267 1.00 0.00 C ATOM 134 C ILE A 7 3.195 1.528 -0.632 1.00 0.00 C ATOM 135 O ILE A 7 4.362 1.433 -1.004 1.00 0.00 O ATOM 136 CB ILE A 7 1.831 3.611 -0.295 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.471 4.877 -1.076 1.00 0.00 C ATOM 138 CG2 ILE A 7 2.933 3.902 0.717 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.132 4.795 -1.777 1.00 0.00 C ATOM 0 H ILE A 7 0.364 1.730 -0.897 1.00 0.00 H new ATOM 0 HA ILE A 7 2.723 2.913 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 7 0.955 3.277 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.463 5.726 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.248 5.071 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.613 4.704 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.136 3.005 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.839 4.205 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.057 5.727 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.143 3.967 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.655 4.632 -1.041 1.00 0.00 H new ATOM 151 N LEU A 8 2.660 0.805 0.296 1.00 0.00 N ATOM 152 CA LEU A 8 3.384 -0.193 1.013 1.00 0.00 C ATOM 153 C LEU A 8 3.899 -1.267 0.084 1.00 0.00 C ATOM 154 O LEU A 8 4.753 -2.082 0.432 1.00 0.00 O ATOM 155 CB LEU A 8 2.440 -0.743 2.046 1.00 0.00 C ATOM 156 CG LEU A 8 2.913 -1.953 2.856 1.00 0.00 C ATOM 157 CD1 LEU A 8 2.886 -3.224 2.017 1.00 0.00 C ATOM 158 CD2 LEU A 8 4.305 -1.708 3.421 1.00 0.00 C ATOM 0 H LEU A 8 1.685 0.894 0.583 1.00 0.00 H new ATOM 0 HA LEU A 8 4.268 0.227 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.201 0.058 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.512 -1.015 1.544 1.00 0.00 H new ATOM 0 HG LEU A 8 2.223 -2.090 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.227 -4.065 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.869 -3.412 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.543 -3.105 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.624 -2.579 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.004 -1.535 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.285 -0.834 4.072 1.00 0.00 H new ATOM 170 N ARG A 9 3.342 -1.245 -1.092 1.00 0.00 N ATOM 171 CA ARG A 9 3.649 -2.170 -2.139 1.00 0.00 C ATOM 172 C ARG A 9 4.984 -1.855 -2.800 1.00 0.00 C ATOM 173 O ARG A 9 5.834 -2.729 -2.965 1.00 0.00 O ATOM 174 CB ARG A 9 2.521 -2.017 -3.109 1.00 0.00 C ATOM 175 CG ARG A 9 1.179 -2.381 -2.500 1.00 0.00 C ATOM 176 CD ARG A 9 1.144 -3.837 -2.061 1.00 0.00 C ATOM 177 NE ARG A 9 1.660 -4.733 -3.095 1.00 0.00 N ATOM 178 CZ ARG A 9 1.023 -4.997 -4.234 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.158 -4.447 -4.487 1.00 0.00 N ATOM 180 NH2 ARG A 9 1.568 -5.815 -5.125 1.00 0.00 N ATOM 0 H ARG A 9 2.637 -0.557 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 9 3.747 -3.189 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.488 -0.987 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.705 -2.648 -3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.980 -1.737 -1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.387 -2.200 -3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.733 -3.956 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.120 -4.117 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 9 2.561 -5.182 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.584 -3.817 -3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.640 -4.654 -5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.475 -6.242 -4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.080 -6.017 -5.997 1.00 0.00 H new ATOM 194 N LEU A 10 5.170 -0.587 -3.135 1.00 0.00 N ATOM 195 CA LEU A 10 6.416 -0.126 -3.733 1.00 0.00 C ATOM 196 C LEU A 10 7.384 0.146 -2.603 1.00 0.00 C ATOM 197 O LEU A 10 8.603 0.038 -2.740 1.00 0.00 O ATOM 198 CB LEU A 10 6.182 1.140 -4.562 1.00 0.00 C ATOM 199 CG LEU A 10 5.165 0.992 -5.695 1.00 0.00 C ATOM 200 CD1 LEU A 10 5.094 2.269 -6.516 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.522 -0.192 -6.580 1.00 0.00 C ATOM 0 H LEU A 10 4.471 0.144 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 10 6.819 -0.882 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.848 1.936 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.134 1.459 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 10 4.184 0.810 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.366 2.146 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.792 3.097 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.073 2.481 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.788 -0.282 -7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.512 -0.039 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.523 -1.105 -5.984 1.00 0.00 H new ATOM 213 N LEU A 11 6.783 0.472 -1.470 1.00 0.00 N ATOM 214 CA LEU A 11 7.483 0.745 -0.240 1.00 0.00 C ATOM 215 C LEU A 11 8.070 -0.542 0.315 1.00 0.00 C ATOM 216 O LEU A 11 9.196 -0.570 0.812 1.00 0.00 O ATOM 217 CB LEU A 11 6.468 1.310 0.744 1.00 0.00 C ATOM 218 CG LEU A 11 6.161 2.803 0.613 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.600 3.345 1.919 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.398 3.589 0.201 1.00 0.00 C ATOM 0 H LEU A 11 5.770 0.554 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 11 8.296 1.451 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.536 0.757 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.829 1.122 1.755 1.00 0.00 H new ATOM 0 HG LEU A 11 5.412 2.923 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.387 4.408 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.681 2.814 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.330 3.201 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.146 4.646 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.178 3.461 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.757 3.224 -0.761 1.00 0.00 H new ATOM 232 N ARG A 12 7.283 -1.609 0.222 1.00 0.00 N ATOM 233 CA ARG A 12 7.701 -2.920 0.711 1.00 0.00 C ATOM 234 C ARG A 12 7.760 -2.940 2.235 1.00 0.00 C ATOM 235 O ARG A 12 7.954 -1.860 2.833 1.00 0.00 O ATOM 236 CB ARG A 12 9.066 -3.299 0.131 1.00 0.00 C ATOM 237 CG ARG A 12 9.165 -4.752 -0.302 1.00 0.00 C ATOM 238 CD ARG A 12 9.928 -4.893 -1.609 1.00 0.00 C ATOM 239 NE ARG A 12 9.207 -4.290 -2.728 1.00 0.00 N ATOM 240 CZ ARG A 12 9.461 -3.076 -3.216 1.00 0.00 C ATOM 241 NH1 ARG A 12 10.421 -2.323 -2.693 1.00 0.00 N ATOM 242 NH2 ARG A 12 8.747 -2.614 -4.232 1.00 0.00 N ATOM 243 OXT ARG A 12 7.614 -4.034 2.818 1.00 0.00 O ATOM 0 H ARG A 12 6.349 -1.592 -0.189 1.00 0.00 H new ATOM 0 HA ARG A 12 6.962 -3.651 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.277 -2.659 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.836 -3.098 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.663 -5.331 0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.164 -5.167 -0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.906 -4.422 -1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.102 -5.949 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 12 8.461 -4.833 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.973 -2.672 -1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.607 -1.395 -3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.007 -3.187 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.938 -1.686 -4.609 1.00 0.00 H new TER 257 ARG A 12