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+ 153:sc= -0.0376 (180deg=-0.571) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 14.853 -1.379 -6.065 1.00 0.00 N ATOM 2 CA VAL A 1 15.869 -2.156 -5.310 1.00 0.00 C ATOM 3 C VAL A 1 17.029 -1.267 -4.871 1.00 0.00 C ATOM 4 O VAL A 1 17.765 -0.736 -5.703 1.00 0.00 O ATOM 5 CB VAL A 1 16.420 -3.323 -6.155 1.00 0.00 C ATOM 6 CG1 VAL A 1 17.108 -2.801 -7.408 1.00 0.00 C ATOM 7 CG2 VAL A 1 17.373 -4.179 -5.332 1.00 0.00 C ATOM 0 H1 VAL A 1 14.348 -2.011 -6.719 1.00 0.00 H new ATOM 0 H2 VAL A 1 14.175 -0.956 -5.400 1.00 0.00 H new ATOM 0 H3 VAL A 1 15.324 -0.626 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 1 15.371 -2.557 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 1 15.582 -3.948 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 1 17.490 -3.640 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.393 -2.238 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 1 17.935 -2.150 -7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 1 17.750 -4.997 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.208 -3.567 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 1 16.844 -4.587 -4.471 1.00 0.00 H new ATOM 19 N ARG A 2 17.184 -1.111 -3.561 1.00 0.00 N ATOM 20 CA ARG A 2 18.256 -0.287 -3.012 1.00 0.00 C ATOM 21 C ARG A 2 18.905 -0.972 -1.813 1.00 0.00 C ATOM 22 O ARG A 2 18.446 -2.021 -1.361 1.00 0.00 O ATOM 23 CB ARG A 2 17.715 1.083 -2.598 1.00 0.00 C ATOM 24 CG ARG A 2 16.768 1.698 -3.617 1.00 0.00 C ATOM 25 CD ARG A 2 15.316 1.547 -3.191 1.00 0.00 C ATOM 26 NE ARG A 2 14.396 1.722 -4.312 1.00 0.00 N ATOM 27 CZ ARG A 2 14.113 2.901 -4.861 1.00 0.00 C ATOM 28 NH1 ARG A 2 14.678 4.009 -4.397 1.00 0.00 N ATOM 29 NH2 ARG A 2 13.266 2.972 -5.878 1.00 0.00 N ATOM 0 H ARG A 2 16.582 -1.543 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 2 19.011 -0.152 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 2 17.196 0.986 -1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 2 18.553 1.762 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 2 17.003 2.755 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 2 16.915 1.221 -4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 2 15.168 0.561 -2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 2 15.087 2.279 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 2 13.944 0.892 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 2 15.332 3.959 -3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.458 4.910 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.831 2.123 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.049 3.875 -6.299 1.00 0.00 H new ATOM 43 N ARG A 3 19.974 -0.371 -1.301 1.00 0.00 N ATOM 44 CA ARG A 3 20.684 -0.922 -0.153 1.00 0.00 C ATOM 45 C ARG A 3 21.792 0.014 0.310 1.00 0.00 C ATOM 46 O ARG A 3 22.040 0.149 1.507 1.00 0.00 O ATOM 47 CB ARG A 3 21.267 -2.296 -0.495 1.00 0.00 C ATOM 48 CG ARG A 3 21.787 -3.055 0.716 1.00 0.00 C ATOM 49 CD ARG A 3 23.289 -3.293 0.633 1.00 0.00 C ATOM 50 NE ARG A 3 23.986 -2.827 1.829 1.00 0.00 N ATOM 51 CZ ARG A 3 23.812 -3.350 3.042 1.00 0.00 C ATOM 52 NH1 ARG A 3 22.964 -4.355 3.223 1.00 0.00 N ATOM 53 NH2 ARG A 3 24.488 -2.867 4.075 1.00 0.00 N ATOM 0 H ARG A 3 20.367 0.498 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 3 19.968 -1.032 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.500 -2.895 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 3 22.080 -2.169 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 3 21.557 -2.494 1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 3 21.271 -4.012 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 3 23.480 -4.357 0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 3 23.689 -2.781 -0.242 1.00 0.00 H new ATOM 0 HE ARG A 3 24.645 -2.055 1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 3 22.442 -4.731 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 3 22.835 -4.752 4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 3 25.141 -2.095 3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 3 24.355 -3.267 5.004 1.00 0.00 H new ATOM 67 N PHE A 4 22.452 0.661 -0.650 1.00 0.00 N ATOM 68 CA PHE A 4 23.528 1.588 -0.377 1.00 0.00 C ATOM 69 C PHE A 4 23.301 2.377 0.911 1.00 0.00 C ATOM 70 O PHE A 4 22.606 3.391 0.924 1.00 0.00 O ATOM 71 CB PHE A 4 23.655 2.534 -1.561 1.00 0.00 C ATOM 72 CG PHE A 4 22.544 3.543 -1.648 1.00 0.00 C ATOM 73 CD1 PHE A 4 21.270 3.156 -2.031 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.773 4.874 -1.342 1.00 0.00 C ATOM 75 CE1 PHE A 4 20.245 4.080 -2.112 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.752 5.802 -1.420 1.00 0.00 C ATOM 77 CZ PHE A 4 20.487 5.405 -1.807 1.00 0.00 C ATOM 0 H PHE A 4 22.247 0.550 -1.643 1.00 0.00 H new ATOM 0 HA PHE A 4 24.449 1.022 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.607 3.060 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.677 1.950 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.075 2.121 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.760 5.190 -1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.257 3.766 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.943 6.837 -1.178 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.689 6.129 -1.871 1.00 0.00 H new ATOM 87 N PRO A 5 23.895 1.919 2.015 1.00 0.00 N ATOM 88 CA PRO A 5 23.762 2.590 3.302 1.00 0.00 C ATOM 89 C PRO A 5 24.439 3.958 3.289 1.00 0.00 C ATOM 90 O PRO A 5 24.526 4.604 2.246 1.00 0.00 O ATOM 91 CB PRO A 5 24.449 1.620 4.273 1.00 0.00 C ATOM 92 CG PRO A 5 25.405 0.851 3.436 1.00 0.00 C ATOM 93 CD PRO A 5 24.749 0.718 2.093 1.00 0.00 C ATOM 0 HA PRO A 5 22.727 2.797 3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.965 2.157 5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.724 0.961 4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.361 1.369 3.356 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.608 -0.127 3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.483 0.692 1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.163 -0.198 2.020 1.00 0.00 H new ATOM 101 N TRP A 6 24.929 4.385 4.439 1.00 0.00 N ATOM 102 CA TRP A 6 25.620 5.659 4.554 1.00 0.00 C ATOM 103 C TRP A 6 27.040 5.400 5.030 1.00 0.00 C ATOM 104 O TRP A 6 27.746 6.307 5.471 1.00 0.00 O ATOM 105 CB TRP A 6 24.891 6.605 5.517 1.00 0.00 C ATOM 106 CG TRP A 6 24.264 5.922 6.699 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.424 4.846 6.676 1.00 0.00 C ATOM 108 CD2 TRP A 6 24.421 6.279 8.076 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.055 4.507 7.956 1.00 0.00 N ATOM 110 CE2 TRP A 6 23.653 5.374 8.833 1.00 0.00 C ATOM 111 CE3 TRP A 6 25.140 7.275 8.744 1.00 0.00 C ATOM 112 CZ2 TRP A 6 23.584 5.436 10.222 1.00 0.00 C ATOM 113 CZ3 TRP A 6 25.069 7.336 10.123 1.00 0.00 C ATOM 114 CH2 TRP A 6 24.296 6.422 10.849 1.00 0.00 C ATOM 0 H TRP A 6 24.861 3.864 5.313 1.00 0.00 H new ATOM 0 HA TRP A 6 25.638 6.146 3.579 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.597 7.353 5.877 1.00 0.00 H new ATOM 0 HB3 TRP A 6 24.116 7.138 4.967 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.097 4.335 5.782 1.00 0.00 H new ATOM 0 HE1 TRP A 6 22.437 3.736 8.211 1.00 0.00 H new ATOM 0 HE3 TRP A 6 25.740 7.984 8.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 22.990 4.731 10.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 25.619 8.102 10.649 1.00 0.00 H new ATOM 0 HH2 TRP A 6 24.261 6.497 11.926 1.00 0.00 H new ATOM 125 N TRP A 7 27.438 4.133 4.938 1.00 0.00 N ATOM 126 CA TRP A 7 28.755 3.699 5.353 1.00 0.00 C ATOM 127 C TRP A 7 29.372 2.751 4.320 1.00 0.00 C ATOM 128 O TRP A 7 30.478 2.247 4.513 1.00 0.00 O ATOM 129 CB TRP A 7 28.651 3.009 6.713 1.00 0.00 C ATOM 130 CG TRP A 7 27.839 1.751 6.679 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.504 1.633 6.940 1.00 0.00 C ATOM 132 CD2 TRP A 7 28.305 0.434 6.363 1.00 0.00 C ATOM 133 NE1 TRP A 7 26.111 0.323 6.806 1.00 0.00 N ATOM 134 CE2 TRP A 7 27.198 -0.432 6.453 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.549 -0.099 6.012 1.00 0.00 C ATOM 136 CZ2 TRP A 7 27.299 -1.798 6.205 1.00 0.00 C ATOM 137 CZ3 TRP A 7 29.648 -1.455 5.767 1.00 0.00 C ATOM 138 CH2 TRP A 7 28.528 -2.291 5.864 1.00 0.00 C ATOM 0 H TRP A 7 26.851 3.384 4.572 1.00 0.00 H new ATOM 0 HA TRP A 7 29.405 4.570 5.434 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.654 2.776 7.072 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.208 3.700 7.430 1.00 0.00 H new ATOM 0 HD1 TRP A 7 25.852 2.450 7.212 1.00 0.00 H new ATOM 0 HE1 TRP A 7 25.164 -0.030 6.946 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.417 0.538 5.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 26.438 -2.445 6.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 30.604 -1.877 5.496 1.00 0.00 H new ATOM 0 HH2 TRP A 7 28.638 -3.347 5.665 1.00 0.00 H new ATOM 149 N TRP A 8 28.655 2.517 3.215 1.00 0.00 N ATOM 150 CA TRP A 8 29.131 1.647 2.160 1.00 0.00 C ATOM 151 C TRP A 8 30.286 2.276 1.370 1.00 0.00 C ATOM 152 O TRP A 8 31.147 1.563 0.866 1.00 0.00 O ATOM 153 CB TRP A 8 27.977 1.308 1.214 1.00 0.00 C ATOM 154 CG TRP A 8 28.002 2.084 -0.063 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.660 1.769 -1.203 1.00 0.00 C ATOM 156 CD2 TRP A 8 27.349 3.316 -0.306 1.00 0.00 C ATOM 157 NE1 TRP A 8 28.429 2.724 -2.165 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.622 3.692 -1.630 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.551 4.126 0.477 1.00 0.00 C ATOM 160 CZ2 TRP A 8 27.111 4.861 -2.188 1.00 0.00 C ATOM 161 CZ3 TRP A 8 26.047 5.284 -0.063 1.00 0.00 C ATOM 162 CH2 TRP A 8 26.323 5.645 -1.390 1.00 0.00 C ATOM 0 H TRP A 8 27.738 2.926 3.038 1.00 0.00 H new ATOM 0 HA TRP A 8 29.511 0.738 2.626 1.00 0.00 H new ATOM 0 HB2 TRP A 8 28.009 0.243 0.983 1.00 0.00 H new ATOM 0 HB3 TRP A 8 27.033 1.495 1.725 1.00 0.00 H new ATOM 0 HD1 TRP A 8 29.278 0.893 -1.338 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.797 2.713 -3.116 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.327 3.854 1.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 27.328 5.138 -3.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 25.428 5.927 0.544 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.906 6.558 -1.789 1.00 0.00 H new ATOM 173 N PRO A 9 30.314 3.617 1.208 1.00 0.00 N ATOM 174 CA PRO A 9 31.345 4.300 0.451 1.00 0.00 C ATOM 175 C PRO A 9 32.734 3.666 0.587 1.00 0.00 C ATOM 176 O PRO A 9 33.546 3.728 -0.337 1.00 0.00 O ATOM 177 CB PRO A 9 31.348 5.723 1.044 1.00 0.00 C ATOM 178 CG PRO A 9 30.237 5.747 2.047 1.00 0.00 C ATOM 179 CD PRO A 9 29.349 4.594 1.693 1.00 0.00 C ATOM 0 HA PRO A 9 31.134 4.259 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 9 32.305 5.949 1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.190 6.471 0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.623 5.647 3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.691 6.689 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.792 4.226 2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.617 4.860 0.930 1.00 0.00 H new ATOM 187 N PHE A 10 33.007 3.078 1.752 1.00 0.00 N ATOM 188 CA PHE A 10 34.304 2.456 2.017 1.00 0.00 C ATOM 189 C PHE A 10 34.383 1.021 1.491 1.00 0.00 C ATOM 190 O PHE A 10 35.471 0.521 1.212 1.00 0.00 O ATOM 191 CB PHE A 10 34.594 2.472 3.518 1.00 0.00 C ATOM 192 CG PHE A 10 34.564 3.847 4.122 1.00 0.00 C ATOM 193 CD1 PHE A 10 35.638 4.709 3.969 1.00 0.00 C ATOM 194 CD2 PHE A 10 33.460 4.279 4.840 1.00 0.00 C ATOM 195 CE1 PHE A 10 35.613 5.975 4.522 1.00 0.00 C ATOM 196 CE2 PHE A 10 33.428 5.544 5.395 1.00 0.00 C ATOM 197 CZ PHE A 10 34.507 6.393 5.236 1.00 0.00 C ATOM 0 H PHE A 10 32.347 3.020 2.527 1.00 0.00 H new ATOM 0 HA PHE A 10 35.055 3.040 1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.863 1.845 4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.574 2.028 3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 10 36.505 4.388 3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.615 3.619 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 10 36.457 6.637 4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.562 5.869 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 10 34.485 7.382 5.669 1.00 0.00 H new ATOM 207 N LEU A 11 33.236 0.360 1.360 1.00 0.00 N ATOM 208 CA LEU A 11 33.207 -1.021 0.868 1.00 0.00 C ATOM 209 C LEU A 11 33.124 -1.069 -0.658 1.00 0.00 C ATOM 210 O LEU A 11 32.441 -1.923 -1.223 1.00 0.00 O ATOM 211 CB LEU A 11 32.027 -1.791 1.477 1.00 0.00 C ATOM 212 CG LEU A 11 30.680 -1.069 1.424 1.00 0.00 C ATOM 213 CD1 LEU A 11 30.228 -0.876 -0.016 1.00 0.00 C ATOM 214 CD2 LEU A 11 29.623 -1.826 2.215 1.00 0.00 C ATOM 0 H LEU A 11 32.321 0.751 1.584 1.00 0.00 H new ATOM 0 HA LEU A 11 34.139 -1.495 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.930 -2.745 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 11 32.259 -2.016 2.518 1.00 0.00 H new ATOM 0 HG LEU A 11 30.809 -0.088 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.268 -0.360 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.967 -0.281 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.125 -1.848 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.675 -1.291 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.500 -2.825 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.935 -1.906 3.256 1.00 0.00 H new ATOM 226 N ARG A 12 33.828 -0.156 -1.321 1.00 0.00 N ATOM 227 CA ARG A 12 33.831 -0.107 -2.778 1.00 0.00 C ATOM 228 C ARG A 12 34.807 -1.130 -3.352 1.00 0.00 C ATOM 229 O ARG A 12 35.664 -1.652 -2.640 1.00 0.00 O ATOM 230 CB ARG A 12 34.197 1.299 -3.261 1.00 0.00 C ATOM 231 CG ARG A 12 33.190 1.887 -4.238 1.00 0.00 C ATOM 232 CD ARG A 12 32.737 3.273 -3.808 1.00 0.00 C ATOM 233 NE ARG A 12 33.660 4.315 -4.252 1.00 0.00 N ATOM 234 CZ ARG A 12 33.362 5.611 -4.271 1.00 0.00 C ATOM 235 NH1 ARG A 12 32.168 6.031 -3.872 1.00 0.00 N ATOM 236 NH2 ARG A 12 34.260 6.492 -4.690 1.00 0.00 N ATOM 0 H ARG A 12 34.402 0.558 -0.873 1.00 0.00 H new ATOM 0 HA ARG A 12 32.829 -0.352 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 12 34.283 1.960 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.177 1.267 -3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 12 33.635 1.941 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 12 32.325 1.227 -4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 12 31.745 3.472 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 12 32.650 3.305 -2.722 1.00 0.00 H new ATOM 0 HE ARG A 12 34.588 4.032 -4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 12 31.473 5.358 -3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 12 31.946 7.026 -3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 12 35.180 6.176 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 12 34.031 7.486 -4.704 1.00 0.00 H new ATOM 250 N ARG A 13 34.672 -1.411 -4.644 1.00 0.00 N ATOM 251 CA ARG A 13 35.544 -2.371 -5.311 1.00 0.00 C ATOM 252 C ARG A 13 37.003 -1.937 -5.221 1.00 0.00 C ATOM 253 O ARG A 13 37.295 -0.772 -5.564 1.00 0.00 O ATOM 254 CB ARG A 13 35.137 -2.530 -6.777 1.00 0.00 C ATOM 255 CG ARG A 13 33.689 -2.953 -6.965 1.00 0.00 C ATOM 256 CD ARG A 13 33.074 -2.307 -8.196 1.00 0.00 C ATOM 257 NE ARG A 13 33.167 -0.850 -8.152 1.00 0.00 N ATOM 258 CZ ARG A 13 33.043 -0.067 -9.222 1.00 0.00 C ATOM 259 NH1 ARG A 13 32.822 -0.597 -10.418 1.00 0.00 N ATOM 260 NH2 ARG A 13 33.142 1.249 -9.095 1.00 0.00 N ATOM 261 OXT ARG A 13 37.842 -2.765 -4.807 1.00 0.00 O ATOM 0 H ARG A 13 33.968 -0.988 -5.249 1.00 0.00 H new ATOM 0 HA ARG A 13 35.438 -3.331 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.301 -1.585 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.786 -3.268 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 13 33.635 -4.038 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 13 33.111 -2.679 -6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 13 33.578 -2.676 -9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 13 32.028 -2.602 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 13 33.337 -0.407 -7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 13 32.746 -1.609 -10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 13 32.728 0.007 -11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 13 33.313 1.661 -8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 13 33.047 1.849 -9.914 1.00 0.00 H new TER 275 ARG A 13