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+ -162:sc= -0.128 (180deg=-0.571) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 14.784 -1.356 -5.652 1.00 0.00 N ATOM 2 CA VAL A 1 15.317 -0.457 -4.595 1.00 0.00 C ATOM 3 C VAL A 1 16.807 -0.694 -4.371 1.00 0.00 C ATOM 4 O VAL A 1 17.278 -1.831 -4.405 1.00 0.00 O ATOM 5 CB VAL A 1 14.574 -0.661 -3.259 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.034 0.359 -2.228 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.069 -0.578 -3.466 1.00 0.00 C ATOM 0 H1 VAL A 1 13.877 -0.984 -5.999 1.00 0.00 H new ATOM 0 H2 VAL A 1 15.462 -1.406 -6.439 1.00 0.00 H new ATOM 0 H3 VAL A 1 14.640 -2.308 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 1 15.161 0.565 -4.941 1.00 0.00 H new ATOM 0 HB VAL A 1 14.812 -1.656 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.498 0.198 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.105 0.246 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.830 1.365 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 1 12.562 -0.724 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 1 12.810 0.402 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.755 -1.352 -4.166 1.00 0.00 H new ATOM 19 N ARG A 2 17.542 0.388 -4.141 1.00 0.00 N ATOM 20 CA ARG A 2 18.979 0.302 -3.911 1.00 0.00 C ATOM 21 C ARG A 2 19.274 -0.257 -2.527 1.00 0.00 C ATOM 22 O ARG A 2 18.383 -0.371 -1.685 1.00 0.00 O ATOM 23 CB ARG A 2 19.627 1.679 -4.069 1.00 0.00 C ATOM 24 CG ARG A 2 20.908 1.658 -4.886 1.00 0.00 C ATOM 25 CD ARG A 2 21.188 3.013 -5.516 1.00 0.00 C ATOM 26 NE ARG A 2 21.643 2.892 -6.899 1.00 0.00 N ATOM 27 CZ ARG A 2 21.680 3.907 -7.759 1.00 0.00 C ATOM 28 NH1 ARG A 2 21.292 5.119 -7.382 1.00 0.00 N ATOM 29 NH2 ARG A 2 22.105 3.710 -8.998 1.00 0.00 N ATOM 0 H ARG A 2 17.166 1.336 -4.109 1.00 0.00 H new ATOM 0 HA ARG A 2 19.401 -0.375 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 2 18.915 2.354 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 2 19.843 2.085 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 2 21.744 1.373 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 2 20.831 0.901 -5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 2 20.284 3.621 -5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 2 21.944 3.535 -4.930 1.00 0.00 H new ATOM 0 HE ARG A 2 21.950 1.976 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 2 20.963 5.276 -6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 2 21.322 5.893 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 2 22.404 2.780 -9.293 1.00 0.00 H new ATOM 0 HH22 ARG A 2 22.133 4.488 -9.657 1.00 0.00 H new ATOM 43 N ARG A 3 20.531 -0.613 -2.305 1.00 0.00 N ATOM 44 CA ARG A 3 20.955 -1.172 -1.030 1.00 0.00 C ATOM 45 C ARG A 3 21.937 -0.246 -0.316 1.00 0.00 C ATOM 46 O ARG A 3 22.183 -0.399 0.879 1.00 0.00 O ATOM 47 CB ARG A 3 21.590 -2.541 -1.256 1.00 0.00 C ATOM 48 CG ARG A 3 22.031 -3.228 0.025 1.00 0.00 C ATOM 49 CD ARG A 3 21.939 -4.742 -0.093 1.00 0.00 C ATOM 50 NE ARG A 3 23.121 -5.405 0.451 1.00 0.00 N ATOM 51 CZ ARG A 3 23.473 -6.654 0.154 1.00 0.00 C ATOM 52 NH1 ARG A 3 22.739 -7.379 -0.682 1.00 0.00 N ATOM 53 NH2 ARG A 3 24.564 -7.180 0.693 1.00 0.00 N ATOM 0 H ARG A 3 21.277 -0.524 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 3 20.077 -1.279 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.877 -3.182 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 3 22.453 -2.428 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 3 23.057 -2.942 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 3 21.410 -2.888 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 3 21.052 -5.094 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 3 21.818 -5.018 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 3 23.711 -4.880 1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 3 21.899 -6.980 -1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 3 23.015 -8.335 -0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 3 25.133 -6.628 1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 3 24.834 -8.137 0.466 1.00 0.00 H new ATOM 67 N PHE A 4 22.495 0.713 -1.061 1.00 0.00 N ATOM 68 CA PHE A 4 23.446 1.669 -0.531 1.00 0.00 C ATOM 69 C PHE A 4 23.139 2.057 0.916 1.00 0.00 C ATOM 70 O PHE A 4 22.328 2.943 1.183 1.00 0.00 O ATOM 71 CB PHE A 4 23.448 2.902 -1.429 1.00 0.00 C ATOM 72 CG PHE A 4 22.323 3.864 -1.155 1.00 0.00 C ATOM 73 CD1 PHE A 4 21.008 3.429 -1.158 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.584 5.198 -0.891 1.00 0.00 C ATOM 75 CE1 PHE A 4 19.972 4.308 -0.904 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.553 6.082 -0.636 1.00 0.00 C ATOM 77 CZ PHE A 4 20.245 5.636 -0.644 1.00 0.00 C ATOM 0 H PHE A 4 22.292 0.841 -2.053 1.00 0.00 H new ATOM 0 HA PHE A 4 24.432 1.205 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.397 3.425 -1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.392 2.581 -2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.790 2.391 -1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.605 5.551 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.951 3.957 -0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.769 7.120 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.437 6.326 -0.447 1.00 0.00 H new ATOM 87 N PRO A 5 23.795 1.395 1.872 1.00 0.00 N ATOM 88 CA PRO A 5 23.598 1.681 3.290 1.00 0.00 C ATOM 89 C PRO A 5 24.152 3.054 3.664 1.00 0.00 C ATOM 90 O PRO A 5 24.151 3.974 2.847 1.00 0.00 O ATOM 91 CB PRO A 5 24.369 0.547 3.978 1.00 0.00 C ATOM 92 CG PRO A 5 25.414 0.150 3.000 1.00 0.00 C ATOM 93 CD PRO A 5 24.786 0.325 1.647 1.00 0.00 C ATOM 0 HA PRO A 5 22.548 1.719 3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.812 0.882 4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.712 -0.290 4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.304 0.771 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.726 -0.882 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.522 0.609 0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.314 -0.594 1.300 1.00 0.00 H new ATOM 101 N TRP A 6 24.637 3.182 4.887 1.00 0.00 N ATOM 102 CA TRP A 6 25.219 4.426 5.359 1.00 0.00 C ATOM 103 C TRP A 6 26.666 4.172 5.760 1.00 0.00 C ATOM 104 O TRP A 6 27.325 5.022 6.357 1.00 0.00 O ATOM 105 CB TRP A 6 24.426 4.996 6.543 1.00 0.00 C ATOM 106 CG TRP A 6 23.925 3.956 7.502 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.181 2.851 7.202 1.00 0.00 C ATOM 108 CD2 TRP A 6 24.122 3.934 8.921 1.00 0.00 C ATOM 109 NE1 TRP A 6 22.911 2.139 8.345 1.00 0.00 N ATOM 110 CE2 TRP A 6 23.476 2.783 9.414 1.00 0.00 C ATOM 111 CE3 TRP A 6 24.786 4.771 9.821 1.00 0.00 C ATOM 112 CZ2 TRP A 6 23.474 2.453 10.767 1.00 0.00 C ATOM 113 CZ3 TRP A 6 24.783 4.442 11.164 1.00 0.00 C ATOM 114 CH2 TRP A 6 24.131 3.292 11.626 1.00 0.00 C ATOM 0 H TRP A 6 24.639 2.431 5.577 1.00 0.00 H new ATOM 0 HA TRP A 6 25.182 5.163 4.557 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.058 5.700 7.085 1.00 0.00 H new ATOM 0 HB3 TRP A 6 23.576 5.561 6.159 1.00 0.00 H new ATOM 0 HD1 TRP A 6 22.853 2.577 6.210 1.00 0.00 H new ATOM 0 HE1 TRP A 6 22.377 1.271 8.391 1.00 0.00 H new ATOM 0 HE3 TRP A 6 25.293 5.659 9.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 22.972 1.567 11.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 25.292 5.083 11.869 1.00 0.00 H new ATOM 0 HH2 TRP A 6 24.147 3.063 12.681 1.00 0.00 H new ATOM 125 N TRP A 7 27.142 2.975 5.419 1.00 0.00 N ATOM 126 CA TRP A 7 28.497 2.562 5.723 1.00 0.00 C ATOM 127 C TRP A 7 29.199 2.028 4.472 1.00 0.00 C ATOM 128 O TRP A 7 30.357 1.614 4.533 1.00 0.00 O ATOM 129 CB TRP A 7 28.471 1.494 6.817 1.00 0.00 C ATOM 130 CG TRP A 7 27.729 0.255 6.422 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.396 0.012 6.587 1.00 0.00 C ATOM 132 CD2 TRP A 7 28.276 -0.914 5.798 1.00 0.00 C ATOM 133 NE1 TRP A 7 26.079 -1.234 6.103 1.00 0.00 N ATOM 134 CE2 TRP A 7 27.216 -1.823 5.613 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.557 -1.278 5.377 1.00 0.00 C ATOM 136 CZ2 TRP A 7 27.401 -3.072 5.026 1.00 0.00 C ATOM 137 CZ3 TRP A 7 29.738 -2.519 4.795 1.00 0.00 C ATOM 138 CH2 TRP A 7 28.666 -3.402 4.624 1.00 0.00 C ATOM 0 H TRP A 7 26.594 2.271 4.925 1.00 0.00 H new ATOM 0 HA TRP A 7 29.057 3.427 6.077 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.495 1.227 7.078 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.012 1.913 7.713 1.00 0.00 H new ATOM 0 HD1 TRP A 7 25.693 0.699 7.033 1.00 0.00 H new ATOM 0 HE1 TRP A 7 25.149 -1.653 6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.390 -0.603 5.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 26.575 -3.755 4.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 30.724 -2.812 4.467 1.00 0.00 H new ATOM 0 HH2 TRP A 7 28.841 -4.364 4.165 1.00 0.00 H new ATOM 149 N TRP A 8 28.498 2.052 3.332 1.00 0.00 N ATOM 150 CA TRP A 8 29.058 1.588 2.080 1.00 0.00 C ATOM 151 C TRP A 8 30.145 2.538 1.556 1.00 0.00 C ATOM 152 O TRP A 8 31.089 2.097 0.905 1.00 0.00 O ATOM 153 CB TRP A 8 27.943 1.438 1.040 1.00 0.00 C ATOM 154 CG TRP A 8 27.886 2.562 0.055 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.564 2.658 -1.111 1.00 0.00 C ATOM 156 CD2 TRP A 8 27.120 3.749 0.172 1.00 0.00 C ATOM 157 NE1 TRP A 8 28.245 3.831 -1.752 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.356 4.523 -0.976 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.252 4.222 1.139 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.742 5.756 -1.179 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.643 5.442 0.948 1.00 0.00 C ATOM 162 CH2 TRP A 8 25.886 6.199 -0.206 1.00 0.00 C ATOM 0 H TRP A 8 27.539 2.391 3.262 1.00 0.00 H new ATOM 0 HA TRP A 8 29.526 0.620 2.259 1.00 0.00 H new ATOM 0 HB2 TRP A 8 28.084 0.501 0.501 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.985 1.368 1.555 1.00 0.00 H new ATOM 0 HD1 TRP A 8 29.257 1.919 -1.485 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.610 4.135 -2.655 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.055 3.644 2.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 26.933 6.339 -2.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 24.967 5.822 1.700 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.389 7.150 -0.330 1.00 0.00 H new ATOM 173 N PRO A 9 30.028 3.861 1.802 1.00 0.00 N ATOM 174 CA PRO A 9 30.988 4.838 1.330 1.00 0.00 C ATOM 175 C PRO A 9 32.427 4.323 1.359 1.00 0.00 C ATOM 176 O PRO A 9 33.255 4.709 0.534 1.00 0.00 O ATOM 177 CB PRO A 9 30.821 6.017 2.309 1.00 0.00 C ATOM 178 CG PRO A 9 29.719 5.617 3.238 1.00 0.00 C ATOM 179 CD PRO A 9 28.965 4.539 2.524 1.00 0.00 C ATOM 0 HA PRO A 9 30.807 5.100 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 9 31.745 6.206 2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 9 30.571 6.935 1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.117 5.255 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.071 6.464 3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.451 3.872 3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.209 4.945 1.852 1.00 0.00 H new ATOM 187 N PHE A 10 32.714 3.453 2.327 1.00 0.00 N ATOM 188 CA PHE A 10 34.049 2.888 2.483 1.00 0.00 C ATOM 189 C PHE A 10 34.287 1.714 1.535 1.00 0.00 C ATOM 190 O PHE A 10 35.366 1.595 0.954 1.00 0.00 O ATOM 191 CB PHE A 10 34.264 2.437 3.928 1.00 0.00 C ATOM 192 CG PHE A 10 34.083 3.540 4.932 1.00 0.00 C ATOM 193 CD1 PHE A 10 34.733 4.753 4.772 1.00 0.00 C ATOM 194 CD2 PHE A 10 33.263 3.364 6.035 1.00 0.00 C ATOM 195 CE1 PHE A 10 34.568 5.770 5.692 1.00 0.00 C ATOM 196 CE2 PHE A 10 33.095 4.378 6.959 1.00 0.00 C ATOM 197 CZ PHE A 10 33.748 5.581 6.788 1.00 0.00 C ATOM 0 H PHE A 10 32.036 3.125 3.015 1.00 0.00 H new ATOM 0 HA PHE A 10 34.765 3.670 2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.567 1.630 4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.269 2.027 4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 10 35.376 4.905 3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.750 2.424 6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 10 35.079 6.711 5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.453 4.229 7.814 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.619 6.374 7.510 1.00 0.00 H new ATOM 207 N LEU A 11 33.292 0.838 1.382 1.00 0.00 N ATOM 208 CA LEU A 11 33.453 -0.319 0.496 1.00 0.00 C ATOM 209 C LEU A 11 33.703 0.130 -0.940 1.00 0.00 C ATOM 210 O LEU A 11 32.902 0.854 -1.526 1.00 0.00 O ATOM 211 CB LEU A 11 32.240 -1.263 0.553 1.00 0.00 C ATOM 212 CG LEU A 11 30.871 -0.588 0.609 1.00 0.00 C ATOM 213 CD1 LEU A 11 30.465 -0.066 -0.761 1.00 0.00 C ATOM 214 CD2 LEU A 11 29.817 -1.545 1.145 1.00 0.00 C ATOM 0 H LEU A 11 32.387 0.903 1.847 1.00 0.00 H new ATOM 0 HA LEU A 11 34.321 -0.874 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 11 32.268 -1.912 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 11 32.344 -1.904 1.429 1.00 0.00 H new ATOM 0 HG LEU A 11 30.945 0.260 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.487 0.410 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 11 31.200 0.662 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.417 -0.895 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.851 -1.042 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.752 -2.416 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 11 30.092 -1.863 2.150 1.00 0.00 H new ATOM 226 N ARG A 12 34.830 -0.301 -1.497 1.00 0.00 N ATOM 227 CA ARG A 12 35.196 0.058 -2.862 1.00 0.00 C ATOM 228 C ARG A 12 35.106 -1.152 -3.786 1.00 0.00 C ATOM 229 O ARG A 12 34.935 -2.283 -3.331 1.00 0.00 O ATOM 230 CB ARG A 12 36.613 0.636 -2.894 1.00 0.00 C ATOM 231 CG ARG A 12 36.896 1.490 -4.121 1.00 0.00 C ATOM 232 CD ARG A 12 37.760 0.751 -5.132 1.00 0.00 C ATOM 233 NE ARG A 12 38.975 1.492 -5.457 1.00 0.00 N ATOM 234 CZ ARG A 12 40.051 0.942 -6.017 1.00 0.00 C ATOM 235 NH1 ARG A 12 40.066 -0.351 -6.315 1.00 0.00 N ATOM 236 NH2 ARG A 12 41.115 1.688 -6.282 1.00 0.00 N ATOM 0 H ARG A 12 35.506 -0.900 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 12 34.494 0.813 -3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 12 36.771 1.238 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 12 37.331 -0.183 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 12 35.955 1.779 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 12 37.396 2.409 -3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 12 38.028 -0.228 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 12 37.186 0.578 -6.042 1.00 0.00 H new ATOM 0 HE ARG A 12 39.001 2.489 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 12 39.250 -0.930 -6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 12 40.893 -0.766 -6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 12 41.109 2.683 -6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 12 41.939 1.267 -6.711 1.00 0.00 H new ATOM 250 N ARG A 13 35.223 -0.907 -5.088 1.00 0.00 N ATOM 251 CA ARG A 13 35.153 -1.976 -6.077 1.00 0.00 C ATOM 252 C ARG A 13 36.227 -3.029 -5.816 1.00 0.00 C ATOM 253 O ARG A 13 37.241 -2.692 -5.171 1.00 0.00 O ATOM 254 CB ARG A 13 35.315 -1.404 -7.487 1.00 0.00 C ATOM 255 CG ARG A 13 34.110 -0.605 -7.960 1.00 0.00 C ATOM 256 CD ARG A 13 34.532 0.631 -8.739 1.00 0.00 C ATOM 257 NE ARG A 13 34.854 1.750 -7.856 1.00 0.00 N ATOM 258 CZ ARG A 13 35.535 2.826 -8.241 1.00 0.00 C ATOM 259 NH1 ARG A 13 35.971 2.932 -9.491 1.00 0.00 N ATOM 260 NH2 ARG A 13 35.783 3.798 -7.376 1.00 0.00 N ATOM 261 OXT ARG A 13 36.042 -4.183 -6.259 1.00 0.00 O ATOM 0 H ARG A 13 35.367 0.023 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 13 34.176 -2.452 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 13 36.197 -0.765 -7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.495 -2.222 -8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 13 33.479 -1.234 -8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 13 33.509 -0.307 -7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 13 35.400 0.393 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 13 33.731 0.923 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 13 34.538 1.703 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 13 35.784 2.186 -10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 13 36.493 3.759 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 13 35.452 3.722 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.305 4.623 -7.672 1.00 0.00 H new TER 275 ARG A 13