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+ 170:sc= -0.296 (180deg=-0.581) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 18.571 1.119 -7.497 1.00 0.00 N ATOM 2 CA VAL A 1 17.921 0.951 -6.172 1.00 0.00 C ATOM 3 C VAL A 1 18.807 0.155 -5.220 1.00 0.00 C ATOM 4 O VAL A 1 18.329 -0.712 -4.487 1.00 0.00 O ATOM 5 CB VAL A 1 16.561 0.239 -6.302 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.538 1.156 -6.952 1.00 0.00 C ATOM 7 CG2 VAL A 1 16.710 -1.053 -7.091 1.00 0.00 C ATOM 0 H1 VAL A 1 17.885 1.512 -8.173 1.00 0.00 H new ATOM 0 H2 VAL A 1 19.379 1.767 -7.407 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.904 0.195 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 1 17.765 1.951 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 1 16.204 -0.012 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.584 0.636 -7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.411 2.050 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.884 1.441 -7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.740 -1.543 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 1 17.089 -0.829 -8.088 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.408 -1.714 -6.578 1.00 0.00 H new ATOM 19 N ARG A 2 20.101 0.457 -5.234 1.00 0.00 N ATOM 20 CA ARG A 2 21.058 -0.227 -4.371 1.00 0.00 C ATOM 21 C ARG A 2 20.609 -0.191 -2.921 1.00 0.00 C ATOM 22 O ARG A 2 19.742 0.595 -2.539 1.00 0.00 O ATOM 23 CB ARG A 2 22.443 0.407 -4.505 1.00 0.00 C ATOM 24 CG ARG A 2 23.266 -0.166 -5.648 1.00 0.00 C ATOM 25 CD ARG A 2 24.459 0.719 -5.972 1.00 0.00 C ATOM 26 NE ARG A 2 25.598 -0.056 -6.458 1.00 0.00 N ATOM 27 CZ ARG A 2 26.789 0.470 -6.736 1.00 0.00 C ATOM 28 NH1 ARG A 2 27.000 1.771 -6.579 1.00 0.00 N ATOM 29 NH2 ARG A 2 27.770 -0.306 -7.174 1.00 0.00 N ATOM 0 H ARG A 2 20.512 1.172 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 2 21.111 -1.269 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 2 22.329 1.481 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 2 22.988 0.270 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 2 23.613 -1.165 -5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 2 22.638 -0.271 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 2 24.172 1.453 -6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 2 24.752 1.274 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 2 25.473 -1.059 -6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 2 26.248 2.373 -6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 2 27.914 2.169 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 2 27.612 -1.306 -7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 2 28.683 0.097 -7.387 1.00 0.00 H new ATOM 43 N ARG A 3 21.206 -1.061 -2.123 1.00 0.00 N ATOM 44 CA ARG A 3 20.879 -1.158 -0.713 1.00 0.00 C ATOM 45 C ARG A 3 21.862 -0.351 0.128 1.00 0.00 C ATOM 46 O ARG A 3 22.266 -0.775 1.209 1.00 0.00 O ATOM 47 CB ARG A 3 20.895 -2.626 -0.299 1.00 0.00 C ATOM 48 CG ARG A 3 20.299 -2.888 1.076 1.00 0.00 C ATOM 49 CD ARG A 3 18.808 -2.590 1.103 1.00 0.00 C ATOM 50 NE ARG A 3 18.251 -2.706 2.448 1.00 0.00 N ATOM 51 CZ ARG A 3 17.090 -2.171 2.818 1.00 0.00 C ATOM 52 NH1 ARG A 3 16.360 -1.484 1.948 1.00 0.00 N ATOM 53 NH2 ARG A 3 16.658 -2.323 4.062 1.00 0.00 N ATOM 0 H ARG A 3 21.925 -1.715 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 3 19.885 -0.744 -0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.345 -3.207 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.924 -2.985 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 3 20.468 -3.928 1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 3 20.808 -2.272 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 3 18.633 -1.583 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 3 18.289 -3.277 0.435 1.00 0.00 H new ATOM 0 HE ARG A 3 18.783 -3.228 3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 3 16.688 -1.364 0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.471 -1.076 2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 3 17.215 -2.850 4.735 1.00 0.00 H new ATOM 0 HH22 ARG A 3 15.768 -1.913 4.347 1.00 0.00 H new ATOM 67 N PHE A 4 22.243 0.819 -0.388 1.00 0.00 N ATOM 68 CA PHE A 4 23.173 1.712 0.274 1.00 0.00 C ATOM 69 C PHE A 4 23.021 1.694 1.794 1.00 0.00 C ATOM 70 O PHE A 4 22.189 2.398 2.364 1.00 0.00 O ATOM 71 CB PHE A 4 22.966 3.123 -0.270 1.00 0.00 C ATOM 72 CG PHE A 4 21.794 3.849 0.335 1.00 0.00 C ATOM 73 CD1 PHE A 4 20.540 3.257 0.369 1.00 0.00 C ATOM 74 CD2 PHE A 4 21.946 5.117 0.871 1.00 0.00 C ATOM 75 CE1 PHE A 4 19.461 3.918 0.924 1.00 0.00 C ATOM 76 CE2 PHE A 4 20.870 5.783 1.428 1.00 0.00 C ATOM 77 CZ PHE A 4 19.627 5.183 1.454 1.00 0.00 C ATOM 0 H PHE A 4 21.907 1.169 -1.285 1.00 0.00 H new ATOM 0 HA PHE A 4 24.186 1.369 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.871 3.705 -0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.828 3.068 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.405 2.268 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.916 5.591 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.490 3.447 0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.002 6.772 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.785 5.702 1.888 1.00 0.00 H new ATOM 87 N PRO A 5 23.840 0.888 2.474 1.00 0.00 N ATOM 88 CA PRO A 5 23.804 0.793 3.930 1.00 0.00 C ATOM 89 C PRO A 5 24.279 2.087 4.583 1.00 0.00 C ATOM 90 O PRO A 5 24.143 3.167 4.009 1.00 0.00 O ATOM 91 CB PRO A 5 24.752 -0.376 4.225 1.00 0.00 C ATOM 92 CG PRO A 5 25.682 -0.417 3.068 1.00 0.00 C ATOM 93 CD PRO A 5 24.871 0.016 1.881 1.00 0.00 C ATOM 0 HA PRO A 5 22.801 0.634 4.326 1.00 0.00 H new ATOM 0 HB2 PRO A 5 25.291 -0.221 5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 5 24.204 -1.313 4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.532 0.247 3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 5 26.083 -1.420 2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.479 0.551 1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.429 -0.835 1.364 1.00 0.00 H new ATOM 101 N TRP A 6 24.851 1.974 5.770 1.00 0.00 N ATOM 102 CA TRP A 6 25.371 3.127 6.486 1.00 0.00 C ATOM 103 C TRP A 6 26.869 2.948 6.681 1.00 0.00 C ATOM 104 O TRP A 6 27.497 3.633 7.487 1.00 0.00 O ATOM 105 CB TRP A 6 24.669 3.304 7.838 1.00 0.00 C ATOM 106 CG TRP A 6 24.373 2.016 8.548 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.693 0.942 8.051 1.00 0.00 C ATOM 108 CD2 TRP A 6 24.737 1.673 9.890 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.618 -0.051 8.998 1.00 0.00 N ATOM 110 CE2 TRP A 6 24.250 0.375 10.137 1.00 0.00 C ATOM 111 CE3 TRP A 6 25.429 2.336 10.907 1.00 0.00 C ATOM 112 CZ2 TRP A 6 24.435 -0.271 11.357 1.00 0.00 C ATOM 113 CZ3 TRP A 6 25.612 1.695 12.118 1.00 0.00 C ATOM 114 CH2 TRP A 6 25.117 0.403 12.333 1.00 0.00 C ATOM 0 H TRP A 6 24.968 1.088 6.261 1.00 0.00 H new ATOM 0 HA TRP A 6 25.180 4.027 5.901 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.293 3.925 8.480 1.00 0.00 H new ATOM 0 HB3 TRP A 6 23.735 3.844 7.682 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.274 0.881 7.057 1.00 0.00 H new ATOM 0 HE1 TRP A 6 23.166 -0.957 8.874 1.00 0.00 H new ATOM 0 HE3 TRP A 6 25.814 3.333 10.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 24.054 -1.267 11.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 26.145 2.199 12.911 1.00 0.00 H new ATOM 0 HH2 TRP A 6 25.277 -0.072 13.290 1.00 0.00 H new ATOM 125 N TRP A 7 27.423 2.000 5.929 1.00 0.00 N ATOM 126 CA TRP A 7 28.836 1.686 5.993 1.00 0.00 C ATOM 127 C TRP A 7 29.423 1.501 4.591 1.00 0.00 C ATOM 128 O TRP A 7 30.602 1.178 4.444 1.00 0.00 O ATOM 129 CB TRP A 7 29.034 0.418 6.822 1.00 0.00 C ATOM 130 CG TRP A 7 28.408 -0.795 6.205 1.00 0.00 C ATOM 131 CD1 TRP A 7 27.154 -1.279 6.444 1.00 0.00 C ATOM 132 CD2 TRP A 7 29.003 -1.678 5.246 1.00 0.00 C ATOM 133 NE1 TRP A 7 26.931 -2.407 5.694 1.00 0.00 N ATOM 134 CE2 TRP A 7 28.051 -2.673 4.950 1.00 0.00 C ATOM 135 CE3 TRP A 7 30.246 -1.725 4.609 1.00 0.00 C ATOM 136 CZ2 TRP A 7 28.304 -3.700 4.045 1.00 0.00 C ATOM 137 CZ3 TRP A 7 30.496 -2.746 3.711 1.00 0.00 C ATOM 138 CH2 TRP A 7 29.529 -3.721 3.436 1.00 0.00 C ATOM 0 H TRP A 7 26.901 1.433 5.261 1.00 0.00 H new ATOM 0 HA TRP A 7 29.359 2.517 6.465 1.00 0.00 H new ATOM 0 HB2 TRP A 7 30.101 0.241 6.953 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.612 0.571 7.815 1.00 0.00 H new ATOM 0 HD1 TRP A 7 26.441 -0.838 7.125 1.00 0.00 H new ATOM 0 HE1 TRP A 7 26.072 -2.957 5.691 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.998 -0.977 4.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 27.560 -4.453 3.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 31.453 -2.792 3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 7 29.755 -4.505 2.729 1.00 0.00 H new ATOM 149 N TRP A 8 28.599 1.714 3.559 1.00 0.00 N ATOM 150 CA TRP A 8 29.041 1.575 2.187 1.00 0.00 C ATOM 151 C TRP A 8 29.977 2.715 1.755 1.00 0.00 C ATOM 152 O TRP A 8 30.845 2.511 0.910 1.00 0.00 O ATOM 153 CB TRP A 8 27.827 1.526 1.257 1.00 0.00 C ATOM 154 CG TRP A 8 27.567 2.814 0.548 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.101 3.222 -0.626 1.00 0.00 C ATOM 156 CD2 TRP A 8 26.725 3.865 0.994 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.615 4.464 -0.963 1.00 0.00 N ATOM 158 CE2 TRP A 8 26.765 4.881 0.025 1.00 0.00 C ATOM 159 CE3 TRP A 8 25.935 4.030 2.117 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.032 6.058 0.155 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.211 5.193 2.255 1.00 0.00 C ATOM 162 CH2 TRP A 8 25.258 6.196 1.277 1.00 0.00 C ATOM 0 H TRP A 8 27.621 1.984 3.660 1.00 0.00 H new ATOM 0 HA TRP A 8 29.606 0.645 2.119 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.976 0.738 0.519 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.945 1.256 1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.807 2.654 -1.214 1.00 0.00 H new ATOM 0 HE1 TRP A 8 27.849 4.986 -1.807 1.00 0.00 H new ATOM 0 HE3 TRP A 8 25.887 3.260 2.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 26.072 6.831 -0.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 24.596 5.335 3.132 1.00 0.00 H new ATOM 0 HH2 TRP A 8 24.673 7.094 1.410 1.00 0.00 H new ATOM 173 N PRO A 9 29.799 3.943 2.291 1.00 0.00 N ATOM 174 CA PRO A 9 30.604 5.091 1.927 1.00 0.00 C ATOM 175 C PRO A 9 32.063 4.744 1.622 1.00 0.00 C ATOM 176 O PRO A 9 32.706 5.391 0.797 1.00 0.00 O ATOM 177 CB PRO A 9 30.518 6.002 3.167 1.00 0.00 C ATOM 178 CG PRO A 9 29.556 5.331 4.098 1.00 0.00 C ATOM 179 CD PRO A 9 28.795 4.350 3.260 1.00 0.00 C ATOM 0 HA PRO A 9 30.238 5.550 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 9 31.496 6.121 3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 9 30.170 6.999 2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.083 4.827 4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 9 28.885 6.057 4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.429 3.508 3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 9 27.928 4.806 2.783 1.00 0.00 H new ATOM 187 N PHE A 10 32.580 3.727 2.308 1.00 0.00 N ATOM 188 CA PHE A 10 33.964 3.301 2.124 1.00 0.00 C ATOM 189 C PHE A 10 34.116 2.319 0.962 1.00 0.00 C ATOM 190 O PHE A 10 35.096 2.381 0.220 1.00 0.00 O ATOM 191 CB PHE A 10 34.492 2.666 3.411 1.00 0.00 C ATOM 192 CG PHE A 10 34.213 3.483 4.640 1.00 0.00 C ATOM 193 CD1 PHE A 10 34.747 4.753 4.779 1.00 0.00 C ATOM 194 CD2 PHE A 10 33.415 2.980 5.656 1.00 0.00 C ATOM 195 CE1 PHE A 10 34.492 5.508 5.909 1.00 0.00 C ATOM 196 CE2 PHE A 10 33.156 3.730 6.788 1.00 0.00 C ATOM 197 CZ PHE A 10 33.695 4.995 6.915 1.00 0.00 C ATOM 0 H PHE A 10 32.060 3.183 2.997 1.00 0.00 H new ATOM 0 HA PHE A 10 34.548 4.189 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 10 34.044 1.680 3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.568 2.518 3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 10 35.370 5.159 3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.991 1.991 5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 10 34.915 6.497 6.005 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.533 3.327 7.572 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.494 5.582 7.799 1.00 0.00 H new ATOM 207 N LEU A 11 33.156 1.407 0.806 1.00 0.00 N ATOM 208 CA LEU A 11 33.228 0.421 -0.276 1.00 0.00 C ATOM 209 C LEU A 11 33.112 1.092 -1.640 1.00 0.00 C ATOM 210 O LEU A 11 32.680 2.241 -1.744 1.00 0.00 O ATOM 211 CB LEU A 11 32.140 -0.649 -0.130 1.00 0.00 C ATOM 212 CG LEU A 11 30.732 -0.113 0.114 1.00 0.00 C ATOM 213 CD1 LEU A 11 30.219 0.642 -1.103 1.00 0.00 C ATOM 214 CD2 LEU A 11 29.778 -1.239 0.484 1.00 0.00 C ATOM 0 H LEU A 11 32.332 1.329 1.403 1.00 0.00 H new ATOM 0 HA LEU A 11 34.202 -0.063 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 11 32.128 -1.258 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 11 32.409 -1.308 0.695 1.00 0.00 H new ATOM 0 HG LEU A 11 30.781 0.583 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.214 1.014 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.881 1.482 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.194 -0.028 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.781 -0.831 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.740 -1.965 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 11 30.128 -1.729 1.393 1.00 0.00 H new ATOM 226 N ARG A 12 33.500 0.364 -2.683 1.00 0.00 N ATOM 227 CA ARG A 12 33.441 0.883 -4.044 1.00 0.00 C ATOM 228 C ARG A 12 33.488 -0.256 -5.059 1.00 0.00 C ATOM 229 O ARG A 12 34.066 -0.116 -6.136 1.00 0.00 O ATOM 230 CB ARG A 12 34.598 1.853 -4.294 1.00 0.00 C ATOM 231 CG ARG A 12 34.515 2.564 -5.637 1.00 0.00 C ATOM 232 CD ARG A 12 34.196 4.041 -5.470 1.00 0.00 C ATOM 233 NE ARG A 12 34.487 4.805 -6.680 1.00 0.00 N ATOM 234 CZ ARG A 12 35.709 5.188 -7.041 1.00 0.00 C ATOM 235 NH1 ARG A 12 36.758 4.880 -6.287 1.00 0.00 N ATOM 236 NH2 ARG A 12 35.884 5.880 -8.158 1.00 0.00 N ATOM 0 H ARG A 12 33.859 -0.588 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 12 32.498 1.417 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 12 34.616 2.598 -3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.539 1.305 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 12 35.461 2.453 -6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 12 33.748 2.093 -6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 12 33.143 4.157 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 12 34.774 4.445 -4.639 1.00 0.00 H new ATOM 0 HE ARG A 12 33.706 5.060 -7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 12 36.629 4.347 -5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 12 37.693 5.176 -6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 12 35.082 6.119 -8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 12 36.821 6.174 -8.435 1.00 0.00 H new ATOM 250 N ARG A 13 32.876 -1.380 -4.705 1.00 0.00 N ATOM 251 CA ARG A 13 32.847 -2.544 -5.581 1.00 0.00 C ATOM 252 C ARG A 13 31.950 -3.637 -5.006 1.00 0.00 C ATOM 253 O ARG A 13 31.338 -4.379 -5.801 1.00 0.00 O ATOM 254 CB ARG A 13 34.263 -3.085 -5.793 1.00 0.00 C ATOM 255 CG ARG A 13 34.597 -3.366 -7.250 1.00 0.00 C ATOM 256 CD ARG A 13 36.074 -3.147 -7.535 1.00 0.00 C ATOM 257 NE ARG A 13 36.318 -1.876 -8.213 1.00 0.00 N ATOM 258 CZ ARG A 13 35.934 -1.617 -9.461 1.00 0.00 C ATOM 259 NH1 ARG A 13 35.287 -2.535 -10.168 1.00 0.00 N ATOM 260 NH2 ARG A 13 36.199 -0.435 -10.003 1.00 0.00 N ATOM 261 OXT ARG A 13 31.870 -3.741 -3.764 1.00 0.00 O ATOM 0 H ARG A 13 32.393 -1.510 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 13 32.438 -2.234 -6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.980 -2.366 -5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.382 -4.004 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.326 -4.393 -7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 13 34.001 -2.718 -7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 13 36.631 -3.171 -6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.450 -3.964 -8.151 1.00 0.00 H new ATOM 0 HE ARG A 13 36.811 -1.145 -7.700 1.00 0.00 H new ATOM 0 HH11 ARG A 13 35.081 -3.445 -9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 13 34.995 -2.331 -11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 13 36.696 0.274 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 13 35.905 -0.235 -10.959 1.00 0.00 H new TER 275 ARG A 13