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+ -146:sc= -0.138 (180deg=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.977 -5.105 3.759 1.00 0.00 N ATOM 2 CA VAL A 1 -7.111 -3.632 3.612 1.00 0.00 C ATOM 3 C VAL A 1 -8.162 -3.282 2.569 1.00 0.00 C ATOM 4 O VAL A 1 -8.704 -4.163 1.900 1.00 0.00 O ATOM 5 CB VAL A 1 -5.777 -2.984 3.192 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.651 -3.440 4.107 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.458 -3.289 1.729 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.758 -5.337 4.749 1.00 0.00 H new ATOM 0 H2 VAL A 1 -7.869 -5.564 3.485 1.00 0.00 H new ATOM 0 H3 VAL A 1 -6.210 -5.447 3.146 1.00 0.00 H new ATOM 0 HA VAL A 1 -7.411 -3.246 4.586 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.875 -1.903 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.717 -2.972 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.877 -3.151 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.551 -4.524 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.512 -2.821 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.382 -4.367 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.252 -2.897 1.094 1.00 0.00 H new ATOM 19 N ARG A 2 -8.429 -1.989 2.419 1.00 0.00 N ATOM 20 CA ARG A 2 -9.396 -1.527 1.436 1.00 0.00 C ATOM 21 C ARG A 2 -8.937 -1.961 0.049 1.00 0.00 C ATOM 22 O ARG A 2 -9.457 -2.927 -0.511 1.00 0.00 O ATOM 23 CB ARG A 2 -9.534 -0.004 1.511 1.00 0.00 C ATOM 24 CG ARG A 2 -9.849 0.501 2.909 1.00 0.00 C ATOM 25 CD ARG A 2 -9.783 2.017 2.986 1.00 0.00 C ATOM 26 NE ARG A 2 -9.958 2.502 4.353 1.00 0.00 N ATOM 27 CZ ARG A 2 -9.119 2.226 5.349 1.00 0.00 C ATOM 28 NH1 ARG A 2 -8.033 1.495 5.129 1.00 0.00 N ATOM 29 NH2 ARG A 2 -9.361 2.688 6.568 1.00 0.00 N ATOM 0 H ARG A 2 -7.990 -1.247 2.964 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.373 -1.964 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.608 0.456 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.322 0.317 0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.843 0.165 3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.144 0.069 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.823 2.358 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.554 2.447 2.347 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.770 3.086 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.837 1.141 4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.394 1.287 5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.190 3.255 6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.718 2.476 7.331 1.00 0.00 H new ATOM 43 N ARG A 3 -7.930 -1.267 -0.481 1.00 0.00 N ATOM 44 CA ARG A 3 -7.367 -1.608 -1.782 1.00 0.00 C ATOM 45 C ARG A 3 -6.184 -0.713 -2.144 1.00 0.00 C ATOM 46 O ARG A 3 -5.842 -0.580 -3.319 1.00 0.00 O ATOM 47 CB ARG A 3 -8.441 -1.550 -2.875 1.00 0.00 C ATOM 48 CG ARG A 3 -9.189 -0.227 -2.964 1.00 0.00 C ATOM 49 CD ARG A 3 -8.312 0.888 -3.514 1.00 0.00 C ATOM 50 NE ARG A 3 -9.087 2.069 -3.888 1.00 0.00 N ATOM 51 CZ ARG A 3 -10.000 2.079 -4.857 1.00 0.00 C ATOM 52 NH1 ARG A 3 -10.241 0.980 -5.560 1.00 0.00 N ATOM 53 NH2 ARG A 3 -10.669 3.191 -5.126 1.00 0.00 N ATOM 0 H ARG A 3 -7.489 -0.466 -0.028 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.995 -2.630 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.971 -1.751 -3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.162 -2.348 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.064 -0.348 -3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.552 0.052 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.569 1.165 -2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.767 0.523 -4.385 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.919 2.936 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.726 0.123 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.941 0.992 -6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.484 4.039 -4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.368 3.198 -5.868 1.00 0.00 H new ATOM 67 N PHE A 4 -5.544 -0.115 -1.142 1.00 0.00 N ATOM 68 CA PHE A 4 -4.398 0.741 -1.405 1.00 0.00 C ATOM 69 C PHE A 4 -3.455 0.788 -0.207 1.00 0.00 C ATOM 70 O PHE A 4 -2.244 0.796 -0.371 1.00 0.00 O ATOM 71 CB PHE A 4 -4.840 2.158 -1.798 1.00 0.00 C ATOM 72 CG PHE A 4 -5.116 3.072 -0.636 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.072 3.645 0.079 1.00 0.00 C ATOM 74 CD2 PHE A 4 -6.417 3.372 -0.271 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.326 4.494 1.138 1.00 0.00 C ATOM 76 CE2 PHE A 4 -6.676 4.223 0.785 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.630 4.785 1.491 1.00 0.00 C ATOM 0 H PHE A 4 -5.796 -0.207 -0.158 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.856 0.309 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.066 2.607 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.739 2.087 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.051 3.424 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.239 2.935 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.506 4.930 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.696 4.449 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.831 5.451 2.317 1.00 0.00 H new ATOM 87 N ALA A 5 -4.010 0.828 0.995 1.00 0.00 N ATOM 88 CA ALA A 5 -3.196 0.888 2.202 1.00 0.00 C ATOM 89 C ALA A 5 -2.642 -0.485 2.585 1.00 0.00 C ATOM 90 O ALA A 5 -2.833 -0.965 3.703 1.00 0.00 O ATOM 91 CB ALA A 5 -4.002 1.479 3.334 1.00 0.00 C ATOM 0 H ALA A 5 -5.016 0.820 1.162 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.339 1.531 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.389 1.521 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.323 2.486 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.877 0.857 3.521 1.00 0.00 H new ATOM 97 N TRP A 6 -1.950 -1.096 1.639 1.00 0.00 N ATOM 98 CA TRP A 6 -1.335 -2.407 1.811 1.00 0.00 C ATOM 99 C TRP A 6 -0.068 -2.452 0.994 1.00 0.00 C ATOM 100 O TRP A 6 0.947 -3.012 1.404 1.00 0.00 O ATOM 101 CB TRP A 6 -2.230 -3.514 1.271 1.00 0.00 C ATOM 102 CG TRP A 6 -2.658 -3.235 -0.124 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.339 -2.156 -0.577 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.394 -4.042 -1.246 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.480 -2.220 -1.937 1.00 0.00 N ATOM 106 CE2 TRP A 6 -2.913 -3.387 -2.374 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.758 -5.254 -1.391 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -2.801 -3.919 -3.649 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.648 -5.797 -2.655 1.00 0.00 C ATOM 110 CH2 TRP A 6 -2.164 -5.125 -3.773 1.00 0.00 C ATOM 0 H TRP A 6 -1.796 -0.692 0.715 1.00 0.00 H new ATOM 0 HA TRP A 6 -1.157 -2.556 2.876 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.697 -4.464 1.306 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.108 -3.617 1.909 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.717 -1.359 0.046 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.930 -1.518 -2.524 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.353 -5.770 -0.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.200 -3.403 -4.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.159 -6.751 -2.785 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.057 -5.568 -4.752 1.00 0.00 H new ATOM 121 N TRP A 7 -0.171 -1.880 -0.197 1.00 0.00 N ATOM 122 CA TRP A 7 0.913 -1.849 -1.128 1.00 0.00 C ATOM 123 C TRP A 7 1.975 -0.897 -0.703 1.00 0.00 C ATOM 124 O TRP A 7 3.081 -0.947 -1.204 1.00 0.00 O ATOM 125 CB TRP A 7 0.407 -1.513 -2.522 1.00 0.00 C ATOM 126 CG TRP A 7 -0.314 -0.207 -2.623 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.611 -0.042 -2.944 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.213 1.103 -2.427 1.00 0.00 C ATOM 129 NE1 TRP A 7 -1.939 1.287 -2.969 1.00 0.00 N ATOM 130 CE2 TRP A 7 -0.834 2.011 -2.650 1.00 0.00 C ATOM 131 CE3 TRP A 7 1.460 1.596 -2.083 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.668 3.378 -2.540 1.00 0.00 C ATOM 133 CZ3 TRP A 7 1.628 2.942 -1.968 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.574 3.830 -2.196 1.00 0.00 C ATOM 0 H TRP A 7 -1.020 -1.426 -0.533 1.00 0.00 H new ATOM 0 HA TRP A 7 1.360 -2.843 -1.152 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.254 -1.500 -3.208 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.260 -2.308 -2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.299 -0.848 -3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.858 1.670 -3.190 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.287 0.923 -1.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.486 4.060 -2.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.597 3.332 -1.695 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.744 4.892 -2.099 1.00 0.00 H new ATOM 145 N TRP A 8 1.651 -0.013 0.206 1.00 0.00 N ATOM 146 CA TRP A 8 2.638 0.942 0.630 1.00 0.00 C ATOM 147 C TRP A 8 3.817 0.225 1.178 1.00 0.00 C ATOM 148 O TRP A 8 4.955 0.441 0.767 1.00 0.00 O ATOM 149 CB TRP A 8 2.143 1.860 1.721 1.00 0.00 C ATOM 150 CG TRP A 8 0.943 2.582 1.362 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.133 2.081 0.767 1.00 0.00 C ATOM 152 CD2 TRP A 8 0.718 3.935 1.588 1.00 0.00 C ATOM 153 NE1 TRP A 8 -1.053 3.079 0.562 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.541 4.247 1.077 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.488 4.901 2.174 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -1.058 5.538 1.140 1.00 0.00 C ATOM 157 CZ3 TRP A 8 1.000 6.176 2.246 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.269 6.497 1.729 1.00 0.00 C ATOM 0 H TRP A 8 0.738 0.065 0.655 1.00 0.00 H new ATOM 0 HA TRP A 8 2.882 1.537 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.951 1.274 2.620 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.928 2.575 1.969 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.264 1.046 0.487 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.959 2.973 0.107 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.463 4.661 2.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.034 5.775 0.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.597 6.949 2.707 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.629 7.513 1.796 1.00 0.00 H new ATOM 169 N PRO A 9 3.545 -0.625 2.164 1.00 0.00 N ATOM 170 CA PRO A 9 4.568 -1.364 2.824 1.00 0.00 C ATOM 171 C PRO A 9 5.603 -1.907 1.850 1.00 0.00 C ATOM 172 O PRO A 9 6.805 -1.799 2.095 1.00 0.00 O ATOM 173 CB PRO A 9 3.776 -2.457 3.531 1.00 0.00 C ATOM 174 CG PRO A 9 2.525 -1.760 3.922 1.00 0.00 C ATOM 175 CD PRO A 9 2.210 -0.894 2.754 1.00 0.00 C ATOM 0 HA PRO A 9 5.167 -0.767 3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.578 -3.303 2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.310 -2.846 4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.720 -2.468 4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.664 -1.171 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.550 -1.396 2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.711 0.026 3.058 1.00 0.00 H new ATOM 183 N PHE A 10 5.147 -2.451 0.722 1.00 0.00 N ATOM 184 CA PHE A 10 6.085 -2.946 -0.282 1.00 0.00 C ATOM 185 C PHE A 10 6.403 -1.868 -1.311 1.00 0.00 C ATOM 186 O PHE A 10 7.563 -1.519 -1.523 1.00 0.00 O ATOM 187 CB PHE A 10 5.562 -4.159 -1.034 1.00 0.00 C ATOM 188 CG PHE A 10 4.166 -4.581 -0.713 1.00 0.00 C ATOM 189 CD1 PHE A 10 3.851 -5.208 0.480 1.00 0.00 C ATOM 190 CD2 PHE A 10 3.166 -4.358 -1.632 1.00 0.00 C ATOM 191 CE1 PHE A 10 2.553 -5.602 0.742 1.00 0.00 C ATOM 192 CE2 PHE A 10 1.880 -4.753 -1.384 1.00 0.00 C ATOM 193 CZ PHE A 10 1.564 -5.376 -0.195 1.00 0.00 C ATOM 0 H PHE A 10 4.161 -2.558 0.485 1.00 0.00 H new ATOM 0 HA PHE A 10 6.979 -3.231 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.620 -3.951 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.228 -4.999 -0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.625 -5.390 1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.400 -3.864 -2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.312 -6.086 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.111 -4.577 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.548 -5.686 0.002 1.00 0.00 H new ATOM 203 N LEU A 11 5.361 -1.371 -1.973 1.00 0.00 N ATOM 204 CA LEU A 11 5.520 -0.355 -3.006 1.00 0.00 C ATOM 205 C LEU A 11 6.412 0.794 -2.535 1.00 0.00 C ATOM 206 O LEU A 11 7.404 1.129 -3.182 1.00 0.00 O ATOM 207 CB LEU A 11 4.170 0.211 -3.456 1.00 0.00 C ATOM 208 CG LEU A 11 3.241 -0.754 -4.209 1.00 0.00 C ATOM 209 CD1 LEU A 11 2.122 0.028 -4.867 1.00 0.00 C ATOM 210 CD2 LEU A 11 4.010 -1.564 -5.244 1.00 0.00 C ATOM 0 H LEU A 11 4.396 -1.657 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 11 5.996 -0.851 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.642 0.576 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.357 1.074 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 11 2.815 -1.457 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.464 -0.658 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.552 0.559 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.544 0.746 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.326 -2.238 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.469 -0.889 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.786 -2.146 -4.747 1.00 0.00 H new ATOM 222 N ARG A 12 6.039 1.400 -1.411 1.00 0.00 N ATOM 223 CA ARG A 12 6.787 2.526 -0.852 1.00 0.00 C ATOM 224 C ARG A 12 7.906 2.068 0.076 1.00 0.00 C ATOM 225 O ARG A 12 8.439 2.863 0.851 1.00 0.00 O ATOM 226 CB ARG A 12 5.845 3.438 -0.079 1.00 0.00 C ATOM 227 CG ARG A 12 4.645 3.889 -0.878 1.00 0.00 C ATOM 228 CD ARG A 12 3.817 4.869 -0.081 1.00 0.00 C ATOM 229 NE ARG A 12 4.569 6.072 0.270 1.00 0.00 N ATOM 230 CZ ARG A 12 5.076 6.920 -0.623 1.00 0.00 C ATOM 231 NH1 ARG A 12 4.901 6.712 -1.921 1.00 0.00 N ATOM 232 NH2 ARG A 12 5.758 7.982 -0.215 1.00 0.00 N ATOM 0 H ARG A 12 5.220 1.130 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 12 7.237 3.062 -1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.501 2.917 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.397 4.316 0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.973 4.353 -1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.037 3.026 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.935 5.149 -0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.463 4.386 0.830 1.00 0.00 H new ATOM 0 HE ARG A 12 4.714 6.274 1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.375 5.899 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.292 7.366 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.894 8.149 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.147 8.632 -0.898 1.00 0.00 H new ATOM 246 N ARG A 13 8.253 0.792 -0.001 1.00 0.00 N ATOM 247 CA ARG A 13 9.311 0.233 0.841 1.00 0.00 C ATOM 248 C ARG A 13 10.558 1.111 0.786 1.00 0.00 C ATOM 249 O ARG A 13 11.072 1.336 -0.330 1.00 0.00 O ATOM 250 CB ARG A 13 9.645 -1.199 0.398 1.00 0.00 C ATOM 251 CG ARG A 13 10.583 -1.951 1.338 1.00 0.00 C ATOM 252 CD ARG A 13 12.020 -1.464 1.227 1.00 0.00 C ATOM 253 NE ARG A 13 12.926 -2.224 2.085 1.00 0.00 N ATOM 254 CZ ARG A 13 14.222 -1.956 2.212 1.00 0.00 C ATOM 255 NH1 ARG A 13 14.760 -0.936 1.555 1.00 0.00 N ATOM 256 NH2 ARG A 13 14.982 -2.703 3.001 1.00 0.00 N ATOM 0 H ARG A 13 7.820 0.121 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 13 8.955 0.204 1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.717 -1.762 0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.097 -1.163 -0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.239 -1.830 2.365 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.544 -3.017 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.350 -1.544 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.066 -0.409 1.496 1.00 0.00 H new ATOM 0 HE ARG A 13 12.542 -3.005 2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.179 -0.355 0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.755 -0.733 1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.573 -3.485 3.512 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.976 -2.496 3.097 1.00 0.00 H new HETATM 270 N NH2 A 14 10.801 1.953 1.784 1.00 0.00 N TER 273 NH2 A 14