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+ 166:sc= -0.118 (180deg=-0.435) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -7.276 4.825 -4.597 1.00 0.00 N ATOM 2 CA VAL A 1 -6.746 3.848 -3.611 1.00 0.00 C ATOM 3 C VAL A 1 -7.821 3.411 -2.625 1.00 0.00 C ATOM 4 O VAL A 1 -8.441 4.240 -1.958 1.00 0.00 O ATOM 5 CB VAL A 1 -5.555 4.437 -2.818 1.00 0.00 C ATOM 6 CG1 VAL A 1 -5.914 5.800 -2.244 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.118 3.488 -1.704 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.484 5.279 -5.096 1.00 0.00 H new ATOM 0 H2 VAL A 1 -7.881 4.331 -5.284 1.00 0.00 H new ATOM 0 H3 VAL A 1 -7.834 5.550 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 1 -6.409 2.983 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.720 4.561 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.063 6.197 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -6.168 6.481 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.768 5.699 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.280 3.925 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.949 3.325 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.813 2.535 -2.137 1.00 0.00 H new ATOM 19 N ARG A 2 -8.018 2.102 -2.515 1.00 0.00 N ATOM 20 CA ARG A 2 -8.995 1.562 -1.582 1.00 0.00 C ATOM 21 C ARG A 2 -8.540 1.863 -0.160 1.00 0.00 C ATOM 22 O ARG A 2 -9.005 2.817 0.463 1.00 0.00 O ATOM 23 CB ARG A 2 -9.157 0.051 -1.792 1.00 0.00 C ATOM 24 CG ARG A 2 -9.962 -0.645 -0.706 1.00 0.00 C ATOM 25 CD ARG A 2 -11.297 0.039 -0.479 1.00 0.00 C ATOM 26 NE ARG A 2 -12.157 -0.016 -1.659 1.00 0.00 N ATOM 27 CZ ARG A 2 -12.638 -1.144 -2.174 1.00 0.00 C ATOM 28 NH1 ARG A 2 -12.353 -2.312 -1.614 1.00 0.00 N ATOM 29 NH2 ARG A 2 -13.410 -1.105 -3.252 1.00 0.00 N ATOM 0 H ARG A 2 -7.516 1.400 -3.058 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.965 2.029 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.640 -0.121 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.169 -0.405 -1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.128 -1.686 -0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.392 -0.651 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.806 -0.433 0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.127 1.080 -0.204 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.403 0.863 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.762 -2.349 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.725 -3.174 -2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.635 -0.210 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.779 -1.970 -3.647 1.00 0.00 H new ATOM 43 N ARG A 3 -7.602 1.060 0.328 1.00 0.00 N ATOM 44 CA ARG A 3 -7.047 1.248 1.659 1.00 0.00 C ATOM 45 C ARG A 3 -5.912 0.268 1.928 1.00 0.00 C ATOM 46 O ARG A 3 -5.608 -0.038 3.082 1.00 0.00 O ATOM 47 CB ARG A 3 -8.137 1.116 2.726 1.00 0.00 C ATOM 48 CG ARG A 3 -9.003 -0.130 2.590 1.00 0.00 C ATOM 49 CD ARG A 3 -8.214 -1.407 2.831 1.00 0.00 C ATOM 50 NE ARG A 3 -9.086 -2.557 3.053 1.00 0.00 N ATOM 51 CZ ARG A 3 -9.914 -2.668 4.089 1.00 0.00 C ATOM 52 NH1 ARG A 3 -9.960 -1.715 5.013 1.00 0.00 N ATOM 53 NH2 ARG A 3 -10.692 -3.734 4.208 1.00 0.00 N ATOM 0 H ARG A 3 -7.209 0.269 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.637 2.257 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.667 1.111 3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.779 1.996 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.829 -0.076 3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.441 -0.159 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.569 -1.602 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.564 -1.273 3.695 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.059 -3.319 2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.360 -0.895 4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.596 -1.803 5.806 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.657 -4.472 3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.326 -3.817 5.003 1.00 0.00 H new ATOM 67 N PHE A 4 -5.271 -0.207 0.865 1.00 0.00 N ATOM 68 CA PHE A 4 -4.159 -1.132 1.021 1.00 0.00 C ATOM 69 C PHE A 4 -3.172 -1.012 -0.138 1.00 0.00 C ATOM 70 O PHE A 4 -1.968 -1.042 0.068 1.00 0.00 O ATOM 71 CB PHE A 4 -4.653 -2.581 1.164 1.00 0.00 C ATOM 72 CG PHE A 4 -4.819 -3.325 -0.135 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.711 -3.785 -0.839 1.00 0.00 C ATOM 74 CD2 PHE A 4 -6.082 -3.568 -0.647 1.00 0.00 C ATOM 75 CE1 PHE A 4 -3.869 -4.471 -2.029 1.00 0.00 C ATOM 76 CE2 PHE A 4 -6.243 -4.252 -1.837 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.136 -4.704 -2.528 1.00 0.00 C ATOM 0 H PHE A 4 -5.500 0.030 -0.100 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.637 -0.861 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.951 -3.129 1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.610 -2.574 1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.719 -3.605 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.952 -3.219 -0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.002 -4.824 -2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.234 -4.433 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.261 -5.239 -3.458 1.00 0.00 H new ATOM 87 N ALA A 5 -3.682 -0.884 -1.354 1.00 0.00 N ATOM 88 CA ALA A 5 -2.819 -0.775 -2.524 1.00 0.00 C ATOM 89 C ALA A 5 -2.281 0.645 -2.703 1.00 0.00 C ATOM 90 O ALA A 5 -2.502 1.289 -3.729 1.00 0.00 O ATOM 91 CB ALA A 5 -3.560 -1.229 -3.760 1.00 0.00 C ATOM 0 H ALA A 5 -4.681 -0.853 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.959 -1.426 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.906 -1.143 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.868 -2.267 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.441 -0.604 -3.906 1.00 0.00 H new ATOM 97 N TRP A 6 -1.575 1.111 -1.688 1.00 0.00 N ATOM 98 CA TRP A 6 -0.978 2.442 -1.672 1.00 0.00 C ATOM 99 C TRP A 6 0.257 2.407 -0.806 1.00 0.00 C ATOM 100 O TRP A 6 1.273 3.033 -1.101 1.00 0.00 O ATOM 101 CB TRP A 6 -1.915 3.459 -1.039 1.00 0.00 C ATOM 102 CG TRP A 6 -2.390 3.004 0.294 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.069 1.869 0.583 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.182 3.670 1.517 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.259 1.762 1.935 1.00 0.00 N ATOM 106 CE2 TRP A 6 -2.730 2.875 2.534 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.572 4.863 1.834 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -2.674 3.247 3.870 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.517 5.248 3.159 1.00 0.00 C ATOM 110 CH2 TRP A 6 -2.063 4.437 4.166 1.00 0.00 C ATOM 0 H TRP A 6 -1.396 0.573 -0.840 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.760 2.723 -2.702 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.401 4.415 -0.937 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.770 3.625 -1.694 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.412 1.151 -0.148 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.716 0.986 2.414 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.145 5.485 1.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.095 2.624 4.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.048 6.184 3.424 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.000 4.758 5.195 1.00 0.00 H new ATOM 121 N TRP A 7 0.124 1.686 0.298 1.00 0.00 N ATOM 122 CA TRP A 7 1.174 1.555 1.260 1.00 0.00 C ATOM 123 C TRP A 7 2.264 0.678 0.759 1.00 0.00 C ATOM 124 O TRP A 7 3.354 0.675 1.302 1.00 0.00 O ATOM 125 CB TRP A 7 0.621 1.038 2.578 1.00 0.00 C ATOM 126 CG TRP A 7 -0.078 -0.282 2.482 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.383 -0.508 2.728 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.484 -1.547 2.139 1.00 0.00 C ATOM 129 NE1 TRP A 7 -1.682 -1.836 2.570 1.00 0.00 N ATOM 130 CE2 TRP A 7 -0.551 -2.493 2.203 1.00 0.00 C ATOM 131 CE3 TRP A 7 1.754 -1.973 1.783 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.353 -3.831 1.923 1.00 0.00 C ATOM 133 CZ3 TRP A 7 1.955 -3.291 1.501 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.909 -4.217 1.571 1.00 0.00 C ATOM 0 H TRP A 7 -0.727 1.178 0.540 1.00 0.00 H new ATOM 0 HA TRP A 7 1.603 2.543 1.428 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.440 0.950 3.292 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.074 1.775 2.980 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.096 0.253 3.011 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.600 -2.260 2.705 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.573 -1.270 1.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.163 -4.543 1.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.941 -3.627 1.218 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.103 -5.255 1.343 1.00 0.00 H new ATOM 145 N TRP A 8 1.982 -0.083 -0.267 1.00 0.00 N ATOM 146 CA TRP A 8 2.992 -0.966 -0.777 1.00 0.00 C ATOM 147 C TRP A 8 4.181 -0.168 -1.172 1.00 0.00 C ATOM 148 O TRP A 8 5.304 -0.418 -0.733 1.00 0.00 O ATOM 149 CB TRP A 8 2.548 -1.733 -1.997 1.00 0.00 C ATOM 150 CG TRP A 8 1.339 -2.500 -1.788 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.244 -2.092 -1.158 1.00 0.00 C ATOM 152 CD2 TRP A 8 1.126 -3.804 -2.219 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.684 -3.105 -1.140 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.151 -4.185 -1.805 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.918 -4.674 -2.916 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.661 -5.451 -2.078 1.00 0.00 C ATOM 157 CZ3 TRP A 8 1.434 -5.922 -3.193 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.150 -6.312 -2.774 1.00 0.00 C ATOM 0 H TRP A 8 1.086 -0.109 -0.753 1.00 0.00 H new ATOM 0 HA TRP A 8 3.211 -1.678 0.019 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.388 -1.034 -2.818 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.348 -2.407 -2.304 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.104 -1.112 -0.725 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.607 -3.064 -0.709 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.905 -4.381 -3.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.650 -5.743 -1.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.048 -6.620 -3.743 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.204 -7.306 -3.004 1.00 0.00 H new ATOM 169 N PRO A 9 3.935 0.800 -2.056 1.00 0.00 N ATOM 170 CA PRO A 9 4.967 1.639 -2.569 1.00 0.00 C ATOM 171 C PRO A 9 5.950 2.064 -1.490 1.00 0.00 C ATOM 172 O PRO A 9 7.159 2.053 -1.713 1.00 0.00 O ATOM 173 CB PRO A 9 4.181 2.804 -3.154 1.00 0.00 C ATOM 174 CG PRO A 9 2.970 2.143 -3.696 1.00 0.00 C ATOM 175 CD PRO A 9 2.621 1.123 -2.670 1.00 0.00 C ATOM 0 HA PRO A 9 5.605 1.149 -3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.932 3.546 -2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.743 3.321 -3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.158 2.856 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.167 1.683 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.918 1.515 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.158 0.243 -3.117 1.00 0.00 H new ATOM 183 N PHE A 10 5.443 2.400 -0.307 1.00 0.00 N ATOM 184 CA PHE A 10 6.333 2.772 0.788 1.00 0.00 C ATOM 185 C PHE A 10 6.601 1.583 1.705 1.00 0.00 C ATOM 186 O PHE A 10 7.744 1.161 1.873 1.00 0.00 O ATOM 187 CB PHE A 10 5.774 3.898 1.644 1.00 0.00 C ATOM 188 CG PHE A 10 4.419 4.393 1.264 1.00 0.00 C ATOM 189 CD1 PHE A 10 4.228 5.220 0.170 1.00 0.00 C ATOM 190 CD2 PHE A 10 3.331 4.036 2.027 1.00 0.00 C ATOM 191 CE1 PHE A 10 2.964 5.677 -0.150 1.00 0.00 C ATOM 192 CE2 PHE A 10 2.077 4.490 1.722 1.00 0.00 C ATOM 193 CZ PHE A 10 1.884 5.313 0.630 1.00 0.00 C ATOM 0 H PHE A 10 4.448 2.423 -0.085 1.00 0.00 H new ATOM 0 HA PHE A 10 7.254 3.110 0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.739 3.558 2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.470 4.736 1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.073 5.510 -0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.469 3.388 2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.821 6.317 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.236 4.204 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.894 5.670 0.387 1.00 0.00 H new ATOM 203 N LEU A 11 5.533 1.073 2.319 1.00 0.00 N ATOM 204 CA LEU A 11 5.636 -0.045 3.251 1.00 0.00 C ATOM 205 C LEU A 11 6.576 -1.136 2.745 1.00 0.00 C ATOM 206 O LEU A 11 7.541 -1.499 3.417 1.00 0.00 O ATOM 207 CB LEU A 11 4.271 -0.676 3.533 1.00 0.00 C ATOM 208 CG LEU A 11 3.314 0.128 4.419 1.00 0.00 C ATOM 209 CD1 LEU A 11 2.145 -0.751 4.813 1.00 0.00 C ATOM 210 CD2 LEU A 11 4.022 0.664 5.656 1.00 0.00 C ATOM 0 H LEU A 11 4.583 1.420 2.185 1.00 0.00 H new ATOM 0 HA LEU A 11 6.042 0.377 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.778 -0.861 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.434 -1.647 4.001 1.00 0.00 H new ATOM 0 HG LEU A 11 2.951 0.987 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.460 -0.184 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.622 -1.084 3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.511 -1.618 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.315 1.230 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.416 -0.168 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.842 1.315 5.353 1.00 0.00 H new ATOM 222 N ARG A 12 6.268 -1.672 1.568 1.00 0.00 N ATOM 223 CA ARG A 12 7.065 -2.744 0.979 1.00 0.00 C ATOM 224 C ARG A 12 8.445 -2.263 0.539 1.00 0.00 C ATOM 225 O ARG A 12 9.463 -2.789 0.991 1.00 0.00 O ATOM 226 CB ARG A 12 6.312 -3.364 -0.200 1.00 0.00 C ATOM 227 CG ARG A 12 5.043 -4.087 0.213 1.00 0.00 C ATOM 228 CD ARG A 12 4.460 -4.890 -0.937 1.00 0.00 C ATOM 229 NE ARG A 12 5.371 -5.933 -1.404 1.00 0.00 N ATOM 230 CZ ARG A 12 5.747 -6.975 -0.666 1.00 0.00 C ATOM 231 NH1 ARG A 12 5.283 -7.123 0.568 1.00 0.00 N ATOM 232 NH2 ARG A 12 6.583 -7.874 -1.166 1.00 0.00 N ATOM 0 H ARG A 12 5.471 -1.381 1.002 1.00 0.00 H new ATOM 0 HA ARG A 12 7.222 -3.500 1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.060 -2.580 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.970 -4.064 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.258 -4.751 1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.307 -3.362 0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.522 -5.346 -0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.225 -4.219 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 12 5.741 -5.858 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.635 -6.437 0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.574 -7.923 1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.938 -7.767 -2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.871 -8.672 -0.601 1.00 0.00 H new ATOM 246 N ARG A 13 8.481 -1.269 -0.341 1.00 0.00 N ATOM 247 CA ARG A 13 9.748 -0.735 -0.832 1.00 0.00 C ATOM 248 C ARG A 13 10.541 -0.085 0.299 1.00 0.00 C ATOM 249 O ARG A 13 11.761 -0.339 0.384 1.00 0.00 O ATOM 250 CB ARG A 13 9.498 0.277 -1.951 1.00 0.00 C ATOM 251 CG ARG A 13 10.760 0.946 -2.469 1.00 0.00 C ATOM 252 CD ARG A 13 10.448 1.920 -3.595 1.00 0.00 C ATOM 253 NE ARG A 13 9.447 2.912 -3.204 1.00 0.00 N ATOM 254 CZ ARG A 13 9.620 3.798 -2.226 1.00 0.00 C ATOM 255 NH1 ARG A 13 10.758 3.832 -1.546 1.00 0.00 N ATOM 256 NH2 ARG A 13 8.652 4.656 -1.928 1.00 0.00 N ATOM 0 H ARG A 13 7.652 -0.818 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 13 10.335 -1.563 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.000 -0.227 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.815 1.044 -1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.254 1.475 -1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.457 0.187 -2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.363 2.429 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.089 1.367 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 13 8.562 2.926 -3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.507 3.177 -1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.885 4.513 -0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.775 4.636 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.785 5.335 -1.178 1.00 0.00 H new HETATM 270 N NH2 A 14 10.208 1.132 0.709 1.00 0.00 N TER 273 NH2 A 14