USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 141 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 : N 1 PHE N :NH3+ -165:sc= -0.0528 (180deg=-0.391) USER MOD Single : N 2 LYS NZ :NH3+ 156:sc= -0.0581 (180deg=-0.493) USER MOD Single : N 6 GLN : amide:sc= -0.265 K(o=-0.27,f=-4.9!) USER MOD Single : N 9 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.146) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE N 1 4.621 -2.518 -2.958 1.00 0.00 N ATOM 2 CA PHE N 1 5.872 -3.298 -2.746 1.00 0.00 C ATOM 3 C PHE N 1 7.075 -2.376 -2.906 1.00 0.00 C ATOM 4 O PHE N 1 8.122 -2.596 -2.300 1.00 0.00 O ATOM 5 CB PHE N 1 5.941 -4.433 -3.771 1.00 0.00 C ATOM 6 CG PHE N 1 7.271 -5.144 -3.656 1.00 0.00 C ATOM 7 CD1 PHE N 1 7.575 -5.875 -2.501 1.00 0.00 C ATOM 8 CD2 PHE N 1 8.197 -5.077 -4.705 1.00 0.00 C ATOM 9 CE1 PHE N 1 8.803 -6.538 -2.395 1.00 0.00 C ATOM 10 CE2 PHE N 1 9.425 -5.740 -4.599 1.00 0.00 C ATOM 11 CZ PHE N 1 9.728 -6.470 -3.444 1.00 0.00 C ATOM 0 H1 PHE N 1 3.808 -3.063 -2.607 1.00 0.00 H new ATOM 0 H2 PHE N 1 4.682 -1.617 -2.442 1.00 0.00 H new ATOM 0 H3 PHE N 1 4.498 -2.328 -3.973 1.00 0.00 H new ATOM 0 HA PHE N 1 5.878 -3.722 -1.742 1.00 0.00 H new ATOM 0 HB2 PHE N 1 5.126 -5.137 -3.604 1.00 0.00 H new ATOM 0 HB3 PHE N 1 5.817 -4.035 -4.778 1.00 0.00 H new ATOM 0 HD1 PHE N 1 6.862 -5.927 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE N 1 7.963 -4.513 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE N 1 9.037 -7.102 -1.504 1.00 0.00 H new ATOM 0 HE2 PHE N 1 10.138 -5.688 -5.408 1.00 0.00 H new ATOM 0 HZ PHE N 1 10.676 -6.981 -3.362 1.00 0.00 H new ATOM 23 N LYS N 2 6.917 -1.341 -3.721 1.00 0.00 N ATOM 24 CA LYS N 2 8.000 -0.392 -3.945 1.00 0.00 C ATOM 25 C LYS N 2 8.134 0.542 -2.745 1.00 0.00 C ATOM 26 O LYS N 2 9.218 1.044 -2.454 1.00 0.00 O ATOM 27 CB LYS N 2 7.727 0.422 -5.219 1.00 0.00 C ATOM 28 CG LYS N 2 9.023 0.598 -6.020 1.00 0.00 C ATOM 29 CD LYS N 2 10.031 1.403 -5.197 1.00 0.00 C ATOM 30 CE LYS N 2 11.147 1.913 -6.112 1.00 0.00 C ATOM 31 NZ LYS N 2 10.613 2.989 -6.995 1.00 0.00 N ATOM 0 H LYS N 2 6.059 -1.138 -4.233 1.00 0.00 H new ATOM 0 HA LYS N 2 8.933 -0.941 -4.069 1.00 0.00 H new ATOM 0 HB2 LYS N 2 6.979 -0.084 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS N 2 7.318 1.397 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS N 2 9.441 -0.376 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS N 2 8.815 1.109 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS N 2 9.532 2.242 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS N 2 10.450 0.781 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS N 2 11.975 2.295 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS N 2 11.540 1.094 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS N 2 11.394 3.601 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS N 2 10.154 2.561 -7.825 1.00 0.00 H new ATOM 0 HZ3 LYS N 2 9.918 3.557 -6.469 1.00 0.00 H new ATOM 45 N ARG N 3 7.020 0.769 -2.055 1.00 0.00 N ATOM 46 CA ARG N 3 7.017 1.645 -0.890 1.00 0.00 C ATOM 47 C ARG N 3 7.718 0.982 0.292 1.00 0.00 C ATOM 48 O ARG N 3 8.539 1.607 0.963 1.00 0.00 O ATOM 49 CB ARG N 3 5.578 1.997 -0.505 1.00 0.00 C ATOM 50 CG ARG N 3 4.849 0.736 -0.031 1.00 0.00 C ATOM 51 CD ARG N 3 3.336 0.949 -0.130 1.00 0.00 C ATOM 52 NE ARG N 3 2.996 2.326 0.205 1.00 0.00 N ATOM 53 CZ ARG N 3 1.809 2.836 -0.105 1.00 0.00 C ATOM 54 NH1 ARG N 3 0.923 2.100 -0.720 1.00 0.00 N ATOM 55 NH2 ARG N 3 1.528 4.072 0.205 1.00 0.00 N ATOM 0 H ARG N 3 6.113 0.361 -2.281 1.00 0.00 H new ATOM 0 HA ARG N 3 7.558 2.556 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG N 3 5.576 2.749 0.284 1.00 0.00 H new ATOM 0 HB3 ARG N 3 5.058 2.430 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG N 3 5.147 -0.118 -0.639 1.00 0.00 H new ATOM 0 HG3 ARG N 3 5.128 0.508 0.998 1.00 0.00 H new ATOM 0 HD2 ARG N 3 2.995 0.718 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG N 3 2.821 0.266 0.545 1.00 0.00 H new ATOM 0 HE ARG N 3 3.681 2.908 0.686 1.00 0.00 H new ATOM 0 HH11 ARG N 3 1.142 1.134 -0.962 1.00 0.00 H new ATOM 0 HH12 ARG N 3 0.012 2.491 -0.958 1.00 0.00 H new ATOM 0 HH21 ARG N 3 2.220 4.647 0.686 1.00 0.00 H new ATOM 0 HH22 ARG N 3 0.617 4.463 -0.033 1.00 0.00 H new ATOM 69 N ILE N 4 7.395 -0.284 0.545 1.00 0.00 N ATOM 70 CA ILE N 4 8.016 -1.000 1.655 1.00 0.00 C ATOM 71 C ILE N 4 9.474 -1.305 1.332 1.00 0.00 C ATOM 72 O ILE N 4 10.334 -1.280 2.212 1.00 0.00 O ATOM 73 CB ILE N 4 7.255 -2.298 1.946 1.00 0.00 C ATOM 74 CG1 ILE N 4 7.515 -3.316 0.830 1.00 0.00 C ATOM 75 CG2 ILE N 4 5.756 -2.000 2.025 1.00 0.00 C ATOM 76 CD1 ILE N 4 6.597 -4.529 1.012 1.00 0.00 C ATOM 0 H ILE N 4 6.719 -0.827 0.007 1.00 0.00 H new ATOM 0 HA ILE N 4 7.977 -0.369 2.543 1.00 0.00 H new ATOM 0 HB ILE N 4 7.598 -2.711 2.894 1.00 0.00 H new ATOM 0 HG12 ILE N 4 7.338 -2.857 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE N 4 8.558 -3.631 0.848 1.00 0.00 H new ATOM 0 HG21 ILE N 4 5.212 -2.922 2.232 1.00 0.00 H new ATOM 0 HG22 ILE N 4 5.569 -1.282 2.823 1.00 0.00 H new ATOM 0 HG23 ILE N 4 5.417 -1.584 1.076 1.00 0.00 H new ATOM 0 HD11 ILE N 4 6.785 -5.250 0.217 1.00 0.00 H new ATOM 0 HD12 ILE N 4 6.795 -4.994 1.978 1.00 0.00 H new ATOM 0 HD13 ILE N 4 5.556 -4.207 0.971 1.00 0.00 H new ATOM 88 N VAL N 5 9.745 -1.578 0.061 1.00 0.00 N ATOM 89 CA VAL N 5 11.105 -1.869 -0.373 1.00 0.00 C ATOM 90 C VAL N 5 11.959 -0.611 -0.255 1.00 0.00 C ATOM 91 O VAL N 5 13.174 -0.685 -0.066 1.00 0.00 O ATOM 92 CB VAL N 5 11.092 -2.361 -1.823 1.00 0.00 C ATOM 93 CG1 VAL N 5 12.522 -2.414 -2.366 1.00 0.00 C ATOM 94 CG2 VAL N 5 10.473 -3.764 -1.882 1.00 0.00 C ATOM 0 H VAL N 5 9.046 -1.604 -0.682 1.00 0.00 H new ATOM 0 HA VAL N 5 11.528 -2.648 0.261 1.00 0.00 H new ATOM 0 HB VAL N 5 10.501 -1.674 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL N 5 12.507 -2.765 -3.398 1.00 0.00 H new ATOM 0 HG12 VAL N 5 12.963 -1.418 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL N 5 13.116 -3.097 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL N 5 10.464 -4.114 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL N 5 11.063 -4.448 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL N 5 9.452 -3.728 -1.502 1.00 0.00 H new ATOM 104 N GLN N 6 11.308 0.543 -0.364 1.00 0.00 N ATOM 105 CA GLN N 6 12.002 1.820 -0.265 1.00 0.00 C ATOM 106 C GLN N 6 12.706 1.940 1.082 1.00 0.00 C ATOM 107 O GLN N 6 13.847 2.397 1.160 1.00 0.00 O ATOM 108 CB GLN N 6 10.997 2.966 -0.422 1.00 0.00 C ATOM 109 CG GLN N 6 11.704 4.202 -0.983 1.00 0.00 C ATOM 110 CD GLN N 6 12.022 3.995 -2.459 1.00 0.00 C ATOM 111 OE1 GLN N 6 11.365 3.201 -3.132 1.00 0.00 O ATOM 112 NE2 GLN N 6 12.997 4.667 -3.007 1.00 0.00 N ATOM 0 H GLN N 6 10.303 0.619 -0.521 1.00 0.00 H new ATOM 0 HA GLN N 6 12.748 1.876 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN N 6 10.189 2.664 -1.088 1.00 0.00 H new ATOM 0 HB3 GLN N 6 10.545 3.200 0.542 1.00 0.00 H new ATOM 0 HG2 GLN N 6 11.071 5.081 -0.859 1.00 0.00 H new ATOM 0 HG3 GLN N 6 12.623 4.389 -0.427 1.00 0.00 H new ATOM 0 HE21 GLN N 6 13.540 5.325 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN N 6 13.216 4.535 -3.994 1.00 0.00 H new ATOM 121 N ARG N 7 12.016 1.528 2.139 1.00 0.00 N ATOM 122 CA ARG N 7 12.583 1.595 3.481 1.00 0.00 C ATOM 123 C ARG N 7 13.952 0.923 3.513 1.00 0.00 C ATOM 124 O ARG N 7 14.839 1.333 4.262 1.00 0.00 O ATOM 125 CB ARG N 7 11.651 0.905 4.482 1.00 0.00 C ATOM 126 CG ARG N 7 10.414 1.778 4.728 1.00 0.00 C ATOM 127 CD ARG N 7 10.815 3.071 5.457 1.00 0.00 C ATOM 128 NE ARG N 7 9.875 3.372 6.538 1.00 0.00 N ATOM 129 CZ ARG N 7 8.557 3.245 6.387 1.00 0.00 C ATOM 130 NH1 ARG N 7 8.053 2.912 5.230 1.00 0.00 N ATOM 131 NH2 ARG N 7 7.764 3.477 7.396 1.00 0.00 N ATOM 0 H ARG N 7 11.071 1.147 2.094 1.00 0.00 H new ATOM 0 HA ARG N 7 12.695 2.644 3.756 1.00 0.00 H new ATOM 0 HB2 ARG N 7 11.349 -0.070 4.099 1.00 0.00 H new ATOM 0 HB3 ARG N 7 12.176 0.730 5.421 1.00 0.00 H new ATOM 0 HG2 ARG N 7 9.936 2.020 3.779 1.00 0.00 H new ATOM 0 HG3 ARG N 7 9.684 1.228 5.322 1.00 0.00 H new ATOM 0 HD2 ARG N 7 11.821 2.968 5.863 1.00 0.00 H new ATOM 0 HD3 ARG N 7 10.840 3.900 4.750 1.00 0.00 H new ATOM 0 HE ARG N 7 10.241 3.689 7.436 1.00 0.00 H new ATOM 0 HH11 ARG N 7 8.669 2.747 4.434 1.00 0.00 H new ATOM 0 HH12 ARG N 7 7.043 2.817 5.122 1.00 0.00 H new ATOM 0 HH21 ARG N 7 8.153 3.755 8.297 1.00 0.00 H new ATOM 0 HH22 ARG N 7 6.755 3.381 7.284 1.00 0.00 H new ATOM 145 N ILE N 8 14.119 -0.107 2.690 1.00 0.00 N ATOM 146 CA ILE N 8 15.386 -0.826 2.626 1.00 0.00 C ATOM 147 C ILE N 8 16.464 0.059 2.014 1.00 0.00 C ATOM 148 O ILE N 8 17.544 0.210 2.575 1.00 0.00 O ATOM 149 CB ILE N 8 15.218 -2.097 1.789 1.00 0.00 C ATOM 150 CG1 ILE N 8 13.969 -2.856 2.252 1.00 0.00 C ATOM 151 CG2 ILE N 8 16.447 -2.991 1.955 1.00 0.00 C ATOM 152 CD1 ILE N 8 14.009 -3.050 3.772 1.00 0.00 C ATOM 0 H ILE N 8 13.398 -0.461 2.062 1.00 0.00 H new ATOM 0 HA ILE N 8 15.689 -1.099 3.637 1.00 0.00 H new ATOM 0 HB ILE N 8 15.110 -1.823 0.740 1.00 0.00 H new ATOM 0 HG12 ILE N 8 13.072 -2.304 1.971 1.00 0.00 H new ATOM 0 HG13 ILE N 8 13.916 -3.824 1.754 1.00 0.00 H new ATOM 0 HG21 ILE N 8 16.323 -3.894 1.358 1.00 0.00 H new ATOM 0 HG22 ILE N 8 17.335 -2.454 1.621 1.00 0.00 H new ATOM 0 HG23 ILE N 8 16.560 -3.263 3.005 1.00 0.00 H new ATOM 0 HD11 ILE N 8 13.118 -3.590 4.093 1.00 0.00 H new ATOM 0 HD12 ILE N 8 14.897 -3.621 4.043 1.00 0.00 H new ATOM 0 HD13 ILE N 8 14.040 -2.077 4.262 1.00 0.00 H new ATOM 164 N LYS N 9 16.164 0.655 0.871 1.00 0.00 N ATOM 165 CA LYS N 9 17.123 1.530 0.211 1.00 0.00 C ATOM 166 C LYS N 9 17.528 2.662 1.151 1.00 0.00 C ATOM 167 O LYS N 9 18.650 3.164 1.090 1.00 0.00 O ATOM 168 CB LYS N 9 16.505 2.101 -1.072 1.00 0.00 C ATOM 169 CG LYS N 9 16.944 1.267 -2.282 1.00 0.00 C ATOM 170 CD LYS N 9 16.404 -0.159 -2.147 1.00 0.00 C ATOM 171 CE LYS N 9 16.851 -0.989 -3.353 1.00 0.00 C ATOM 172 NZ LYS N 9 18.306 -1.289 -3.237 1.00 0.00 N ATOM 0 H LYS N 9 15.274 0.551 0.384 1.00 0.00 H new ATOM 0 HA LYS N 9 18.013 0.957 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS N 9 15.418 2.099 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS N 9 16.813 3.138 -1.204 1.00 0.00 H new ATOM 0 HG2 LYS N 9 16.575 1.721 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS N 9 18.032 1.250 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS N 9 16.769 -0.612 -1.225 1.00 0.00 H new ATOM 0 HD3 LYS N 9 15.316 -0.143 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS N 9 16.280 -1.916 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS N 9 16.653 -0.444 -4.276 1.00 0.00 H new ATOM 0 HZ1 LYS N 9 18.561 -2.037 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS N 9 18.855 -0.431 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS N 9 18.519 -1.608 -2.270 1.00 0.00 H new ATOM 186 N ASP N 10 16.607 3.047 2.026 1.00 0.00 N ATOM 187 CA ASP N 10 16.871 4.108 2.990 1.00 0.00 C ATOM 188 C ASP N 10 17.809 3.603 4.079 1.00 0.00 C ATOM 189 O ASP N 10 18.517 4.378 4.719 1.00 0.00 O ATOM 190 CB ASP N 10 15.561 4.591 3.617 1.00 0.00 C ATOM 191 CG ASP N 10 15.824 5.792 4.518 1.00 0.00 C ATOM 192 OD1 ASP N 10 16.503 5.621 5.517 1.00 0.00 O ATOM 193 OD2 ASP N 10 15.342 6.866 4.197 1.00 0.00 O ATOM 0 H ASP N 10 15.673 2.642 2.088 1.00 0.00 H new ATOM 0 HA ASP N 10 17.343 4.942 2.471 1.00 0.00 H new ATOM 0 HB2 ASP N 10 14.852 4.862 2.834 1.00 0.00 H new ATOM 0 HB3 ASP N 10 15.106 3.786 4.194 1.00 0.00 H new ATOM 198 N PHE N 11 17.798 2.294 4.291 1.00 0.00 N ATOM 199 CA PHE N 11 18.646 1.688 5.307 1.00 0.00 C ATOM 200 C PHE N 11 20.118 1.765 4.887 1.00 0.00 C ATOM 201 O PHE N 11 20.967 2.195 5.668 1.00 0.00 O ATOM 202 CB PHE N 11 18.201 0.234 5.531 1.00 0.00 C ATOM 203 CG PHE N 11 19.339 -0.617 6.043 1.00 0.00 C ATOM 204 CD1 PHE N 11 20.223 -0.112 7.002 1.00 0.00 C ATOM 205 CD2 PHE N 11 19.499 -1.921 5.559 1.00 0.00 C ATOM 206 CE1 PHE N 11 21.269 -0.911 7.475 1.00 0.00 C ATOM 207 CE2 PHE N 11 20.544 -2.719 6.031 1.00 0.00 C ATOM 208 CZ PHE N 11 21.431 -2.216 6.990 1.00 0.00 C ATOM 0 H PHE N 11 17.214 1.635 3.776 1.00 0.00 H new ATOM 0 HA PHE N 11 18.546 2.233 6.246 1.00 0.00 H new ATOM 0 HB2 PHE N 11 17.377 0.210 6.244 1.00 0.00 H new ATOM 0 HB3 PHE N 11 17.826 -0.182 4.596 1.00 0.00 H new ATOM 0 HD1 PHE N 11 20.098 0.893 7.377 1.00 0.00 H new ATOM 0 HD2 PHE N 11 18.814 -2.310 4.820 1.00 0.00 H new ATOM 0 HE1 PHE N 11 21.953 -0.522 8.215 1.00 0.00 H new ATOM 0 HE2 PHE N 11 20.668 -3.724 5.656 1.00 0.00 H new ATOM 0 HZ PHE N 11 22.239 -2.832 7.356 1.00 0.00 H new ATOM 218 N LEU N 12 20.420 1.346 3.659 1.00 0.00 N ATOM 219 CA LEU N 12 21.790 1.377 3.172 1.00 0.00 C ATOM 220 C LEU N 12 22.261 2.801 2.879 1.00 0.00 C ATOM 221 O LEU N 12 23.409 3.147 3.159 1.00 0.00 O ATOM 222 CB LEU N 12 21.902 0.543 1.897 1.00 0.00 C ATOM 223 CG LEU N 12 21.400 -0.889 2.132 1.00 0.00 C ATOM 224 CD1 LEU N 12 22.017 -1.466 3.409 1.00 0.00 C ATOM 225 CD2 LEU N 12 19.873 -0.902 2.244 1.00 0.00 C ATOM 0 H LEU N 12 19.738 0.985 2.992 1.00 0.00 H new ATOM 0 HA LEU N 12 22.425 0.964 3.956 1.00 0.00 H new ATOM 0 HB2 LEU N 12 21.322 1.010 1.101 1.00 0.00 H new ATOM 0 HB3 LEU N 12 22.940 0.519 1.564 1.00 0.00 H new ATOM 0 HG LEU N 12 21.701 -1.504 1.284 1.00 0.00 H new ATOM 0 HD11 LEU N 12 21.652 -2.482 3.563 1.00 0.00 H new ATOM 0 HD12 LEU N 12 23.103 -1.481 3.314 1.00 0.00 H new ATOM 0 HD13 LEU N 12 21.736 -0.847 4.261 1.00 0.00 H new ATOM 0 HD21 LEU N 12 19.529 -1.923 2.410 1.00 0.00 H new ATOM 0 HD22 LEU N 12 19.564 -0.274 3.080 1.00 0.00 H new ATOM 0 HD23 LEU N 12 19.437 -0.518 1.322 1.00 0.00 H new ATOM 237 N ARG N 13 21.381 3.624 2.316 1.00 0.00 N ATOM 238 CA ARG N 13 21.739 5.005 1.994 1.00 0.00 C ATOM 239 C ARG N 13 20.745 5.956 2.631 1.00 0.00 C ATOM 240 O ARG N 13 20.815 7.168 2.430 1.00 0.00 O ATOM 241 CB ARG N 13 21.744 5.218 0.476 1.00 0.00 C ATOM 242 CG ARG N 13 22.839 4.349 -0.174 1.00 0.00 C ATOM 243 CD ARG N 13 22.274 2.974 -0.575 1.00 0.00 C ATOM 244 NE ARG N 13 22.312 2.788 -2.031 1.00 0.00 N ATOM 245 CZ ARG N 13 21.929 3.738 -2.885 1.00 0.00 C ATOM 246 NH1 ARG N 13 21.457 4.872 -2.448 1.00 0.00 N ATOM 247 NH2 ARG N 13 22.012 3.524 -4.170 1.00 0.00 N ATOM 0 H ARG N 13 20.425 3.364 2.075 1.00 0.00 H new ATOM 0 HA ARG N 13 22.738 5.203 2.383 1.00 0.00 H new ATOM 0 HB2 ARG N 13 20.770 4.960 0.061 1.00 0.00 H new ATOM 0 HB3 ARG N 13 21.920 6.269 0.248 1.00 0.00 H new ATOM 0 HG2 ARG N 13 23.238 4.855 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG N 13 23.668 4.219 0.522 1.00 0.00 H new ATOM 0 HD2 ARG N 13 22.850 2.186 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG N 13 21.247 2.883 -0.221 1.00 0.00 H new ATOM 0 HE ARG N 13 22.644 1.898 -2.403 1.00 0.00 H new ATOM 0 HH11 ARG N 13 21.378 5.039 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG N 13 21.167 5.592 -3.109 1.00 0.00 H new ATOM 0 HH21 ARG N 13 22.368 2.633 -4.517 1.00 0.00 H new ATOM 0 HH22 ARG N 13 21.720 4.247 -4.827 1.00 0.00 H new HETATM 261 N NH2 N 14 19.813 5.467 3.392 1.00 0.00 N TER 264 NH2 N 14