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 Set 1.1: N 2 LYS NZ :NH3+ 161:sc= -0.288 (180deg=-1.58!) USER MOD Set 1.2: N 6 GLN :FLIP amide:sc= -0.534 F(o=-3.4!,f=-0.82) USER MOD Single : N 1 PHE N :NH3+ -166:sc= -0.0125 (180deg=-0.29) USER MOD Single : N 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE N 1 6.488 -2.424 -6.816 1.00 0.00 N ATOM 2 CA PHE N 1 7.856 -1.842 -6.911 1.00 0.00 C ATOM 3 C PHE N 1 8.166 -1.083 -5.624 1.00 0.00 C ATOM 4 O PHE N 1 9.307 -1.050 -5.172 1.00 0.00 O ATOM 5 CB PHE N 1 7.923 -0.905 -8.129 1.00 0.00 C ATOM 6 CG PHE N 1 8.766 0.317 -7.822 1.00 0.00 C ATOM 7 CD1 PHE N 1 8.191 1.421 -7.178 1.00 0.00 C ATOM 8 CD2 PHE N 1 10.118 0.352 -8.193 1.00 0.00 C ATOM 9 CE1 PHE N 1 8.965 2.556 -6.905 1.00 0.00 C ATOM 10 CE2 PHE N 1 10.890 1.488 -7.921 1.00 0.00 C ATOM 11 CZ PHE N 1 10.314 2.590 -7.278 1.00 0.00 C ATOM 0 H1 PHE N 1 6.358 -3.129 -7.569 1.00 0.00 H new ATOM 0 H2 PHE N 1 6.369 -2.881 -5.889 1.00 0.00 H new ATOM 0 H3 PHE N 1 5.781 -1.669 -6.923 1.00 0.00 H new ATOM 0 HA PHE N 1 8.597 -2.632 -7.038 1.00 0.00 H new ATOM 0 HB2 PHE N 1 8.344 -1.438 -8.981 1.00 0.00 H new ATOM 0 HB3 PHE N 1 6.917 -0.596 -8.412 1.00 0.00 H new ATOM 0 HD1 PHE N 1 7.150 1.397 -6.892 1.00 0.00 H new ATOM 0 HD2 PHE N 1 10.564 -0.498 -8.689 1.00 0.00 H new ATOM 0 HE1 PHE N 1 8.521 3.405 -6.407 1.00 0.00 H new ATOM 0 HE2 PHE N 1 11.931 1.514 -8.208 1.00 0.00 H new ATOM 0 HZ PHE N 1 10.910 3.466 -7.070 1.00 0.00 H new ATOM 23 N LYS N 2 7.145 -0.475 -5.037 1.00 0.00 N ATOM 24 CA LYS N 2 7.330 0.278 -3.803 1.00 0.00 C ATOM 25 C LYS N 2 7.789 -0.641 -2.671 1.00 0.00 C ATOM 26 O LYS N 2 8.475 -0.205 -1.747 1.00 0.00 O ATOM 27 CB LYS N 2 6.018 0.967 -3.410 1.00 0.00 C ATOM 28 CG LYS N 2 6.305 2.134 -2.454 1.00 0.00 C ATOM 29 CD LYS N 2 6.596 3.405 -3.259 1.00 0.00 C ATOM 30 CE LYS N 2 7.233 4.458 -2.348 1.00 0.00 C ATOM 31 NZ LYS N 2 8.406 3.868 -1.643 1.00 0.00 N ATOM 0 H LYS N 2 6.188 -0.487 -5.390 1.00 0.00 H new ATOM 0 HA LYS N 2 8.099 1.031 -3.972 1.00 0.00 H new ATOM 0 HB2 LYS N 2 5.508 1.333 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS N 2 5.350 0.250 -2.932 1.00 0.00 H new ATOM 0 HG2 LYS N 2 5.451 2.296 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS N 2 7.156 1.893 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS N 2 7.264 3.176 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS N 2 5.673 3.793 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS N 2 7.546 5.321 -2.936 1.00 0.00 H new ATOM 0 HE3 LYS N 2 6.502 4.815 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS N 2 9.018 4.631 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS N 2 8.076 3.290 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS N 2 8.944 3.271 -2.303 1.00 0.00 H new ATOM 45 N ARG N 3 7.400 -1.912 -2.743 1.00 0.00 N ATOM 46 CA ARG N 3 7.775 -2.872 -1.707 1.00 0.00 C ATOM 47 C ARG N 3 9.282 -3.112 -1.691 1.00 0.00 C ATOM 48 O ARG N 3 9.911 -3.058 -0.635 1.00 0.00 O ATOM 49 CB ARG N 3 7.050 -4.200 -1.928 1.00 0.00 C ATOM 50 CG ARG N 3 7.156 -5.048 -0.658 1.00 0.00 C ATOM 51 CD ARG N 3 6.378 -6.353 -0.839 1.00 0.00 C ATOM 52 NE ARG N 3 7.187 -7.325 -1.564 1.00 0.00 N ATOM 53 CZ ARG N 3 6.873 -8.615 -1.565 1.00 0.00 C ATOM 54 NH1 ARG N 3 5.823 -9.032 -0.911 1.00 0.00 N ATOM 55 NH2 ARG N 3 7.615 -9.466 -2.220 1.00 0.00 N ATOM 0 H ARG N 3 6.832 -2.298 -3.498 1.00 0.00 H new ATOM 0 HA ARG N 3 7.482 -2.451 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG N 3 6.003 -4.020 -2.173 1.00 0.00 H new ATOM 0 HB3 ARG N 3 7.489 -4.732 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG N 3 8.202 -5.265 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG N 3 6.762 -4.494 0.194 1.00 0.00 H new ATOM 0 HD2 ARG N 3 6.098 -6.756 0.134 1.00 0.00 H new ATOM 0 HD3 ARG N 3 5.453 -6.161 -1.383 1.00 0.00 H new ATOM 0 HE ARG N 3 8.008 -7.009 -2.079 1.00 0.00 H new ATOM 0 HH11 ARG N 3 5.244 -8.367 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG N 3 5.582 -10.023 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG N 3 8.436 -9.140 -2.731 1.00 0.00 H new ATOM 0 HH22 ARG N 3 7.374 -10.457 -2.221 1.00 0.00 H new ATOM 69 N ILE N 4 9.863 -3.373 -2.860 1.00 0.00 N ATOM 70 CA ILE N 4 11.302 -3.610 -2.936 1.00 0.00 C ATOM 71 C ILE N 4 12.051 -2.335 -2.571 1.00 0.00 C ATOM 72 O ILE N 4 13.123 -2.383 -1.970 1.00 0.00 O ATOM 73 CB ILE N 4 11.693 -4.079 -4.347 1.00 0.00 C ATOM 74 CG1 ILE N 4 13.221 -3.955 -4.552 1.00 0.00 C ATOM 75 CG2 ILE N 4 10.953 -3.242 -5.391 1.00 0.00 C ATOM 76 CD1 ILE N 4 13.571 -2.640 -5.264 1.00 0.00 C ATOM 0 H ILE N 4 9.371 -3.425 -3.752 1.00 0.00 H new ATOM 0 HA ILE N 4 11.572 -4.394 -2.229 1.00 0.00 H new ATOM 0 HB ILE N 4 11.413 -5.126 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE N 4 13.726 -3.997 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE N 4 13.583 -4.799 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE N 4 11.232 -3.577 -6.390 1.00 0.00 H new ATOM 0 HG22 ILE N 4 9.878 -3.360 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE N 4 11.221 -2.192 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE N 4 14.651 -2.575 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE N 4 13.083 -2.613 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE N 4 13.228 -1.798 -4.663 1.00 0.00 H new ATOM 88 N VAL N 5 11.468 -1.197 -2.930 1.00 0.00 N ATOM 89 CA VAL N 5 12.075 0.094 -2.630 1.00 0.00 C ATOM 90 C VAL N 5 12.096 0.327 -1.122 1.00 0.00 C ATOM 91 O VAL N 5 13.016 0.948 -0.589 1.00 0.00 O ATOM 92 CB VAL N 5 11.277 1.211 -3.313 1.00 0.00 C ATOM 93 CG1 VAL N 5 11.919 2.563 -3.000 1.00 0.00 C ATOM 94 CG2 VAL N 5 11.260 0.991 -4.836 1.00 0.00 C ATOM 0 H VAL N 5 10.579 -1.142 -3.427 1.00 0.00 H new ATOM 0 HA VAL N 5 13.099 0.099 -3.004 1.00 0.00 H new ATOM 0 HB VAL N 5 10.253 1.197 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL N 5 11.351 3.357 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL N 5 11.919 2.725 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL N 5 12.945 2.573 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL N 5 10.691 1.789 -5.313 1.00 0.00 H new ATOM 0 HG22 VAL N 5 12.282 0.997 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL N 5 10.795 0.031 -5.060 1.00 0.00 H new ATOM 104 N GLN N 6 11.070 -0.179 -0.444 1.00 0.00 N ATOM 105 CA GLN N 6 10.963 -0.029 1.003 1.00 0.00 C ATOM 106 C GLN N 6 12.183 -0.626 1.698 1.00 0.00 C ATOM 107 O GLN N 6 12.738 -0.029 2.621 1.00 0.00 O ATOM 108 CB GLN N 6 9.690 -0.728 1.499 1.00 0.00 C ATOM 109 CG GLN N 6 9.180 -0.050 2.775 1.00 0.00 C ATOM 110 CD GLN N 6 8.636 1.339 2.453 1.00 0.00 C ATOM 111 OE1 GLN N 6 8.650 1.764 1.220 1.00 0.00 O flip ATOM 112 NE2 GLN N 6 8.186 2.054 3.348 1.00 0.00 N flip ATOM 0 H GLN N 6 10.302 -0.696 -0.873 1.00 0.00 H new ATOM 0 HA GLN N 6 10.914 1.033 1.242 1.00 0.00 H new ATOM 0 HB2 GLN N 6 8.922 -0.692 0.727 1.00 0.00 H new ATOM 0 HB3 GLN N 6 9.896 -1.780 1.695 1.00 0.00 H new ATOM 0 HG2 GLN N 6 8.398 -0.658 3.231 1.00 0.00 H new ATOM 0 HG3 GLN N 6 9.988 0.028 3.502 1.00 0.00 H new ATOM 0 HE21 GLN N 6 8.176 1.719 4.312 1.00 0.00 H new ATOM 0 HE22 GLN N 6 7.823 2.981 3.126 1.00 0.00 H new ATOM 121 N ARG N 7 12.595 -1.805 1.247 1.00 0.00 N ATOM 122 CA ARG N 7 13.752 -2.471 1.835 1.00 0.00 C ATOM 123 C ARG N 7 14.949 -1.526 1.855 1.00 0.00 C ATOM 124 O ARG N 7 15.628 -1.390 2.873 1.00 0.00 O ATOM 125 CB ARG N 7 14.094 -3.734 1.034 1.00 0.00 C ATOM 126 CG ARG N 7 13.302 -4.930 1.582 1.00 0.00 C ATOM 127 CD ARG N 7 14.094 -5.598 2.709 1.00 0.00 C ATOM 128 NE ARG N 7 15.319 -6.186 2.181 1.00 0.00 N ATOM 129 CZ ARG N 7 16.319 -6.533 2.985 1.00 0.00 C ATOM 130 NH1 ARG N 7 16.215 -6.356 4.273 1.00 0.00 N ATOM 131 NH2 ARG N 7 17.407 -7.052 2.485 1.00 0.00 N ATOM 0 H ARG N 7 12.151 -2.316 0.484 1.00 0.00 H new ATOM 0 HA ARG N 7 13.511 -2.755 2.859 1.00 0.00 H new ATOM 0 HB2 ARG N 7 13.858 -3.582 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG N 7 15.163 -3.936 1.095 1.00 0.00 H new ATOM 0 HG2 ARG N 7 12.332 -4.598 1.953 1.00 0.00 H new ATOM 0 HG3 ARG N 7 13.109 -5.648 0.784 1.00 0.00 H new ATOM 0 HD2 ARG N 7 14.336 -4.864 3.478 1.00 0.00 H new ATOM 0 HD3 ARG N 7 13.487 -6.369 3.183 1.00 0.00 H new ATOM 0 HE ARG N 7 15.410 -6.334 1.176 1.00 0.00 H new ATOM 0 HH11 ARG N 7 15.365 -5.951 4.665 1.00 0.00 H new ATOM 0 HH12 ARG N 7 16.984 -6.623 4.888 1.00 0.00 H new ATOM 0 HH21 ARG N 7 17.490 -7.191 1.478 1.00 0.00 H new ATOM 0 HH22 ARG N 7 18.175 -7.319 3.101 1.00 0.00 H new ATOM 145 N ILE N 8 15.194 -0.866 0.732 1.00 0.00 N ATOM 146 CA ILE N 8 16.303 0.075 0.641 1.00 0.00 C ATOM 147 C ILE N 8 16.097 1.205 1.642 1.00 0.00 C ATOM 148 O ILE N 8 16.989 1.529 2.417 1.00 0.00 O ATOM 149 CB ILE N 8 16.399 0.642 -0.782 1.00 0.00 C ATOM 150 CG1 ILE N 8 16.985 -0.416 -1.725 1.00 0.00 C ATOM 151 CG2 ILE N 8 17.308 1.873 -0.791 1.00 0.00 C ATOM 152 CD1 ILE N 8 15.954 -1.519 -1.976 1.00 0.00 C ATOM 0 H ILE N 8 14.645 -0.963 -0.123 1.00 0.00 H new ATOM 0 HA ILE N 8 17.233 -0.444 0.873 1.00 0.00 H new ATOM 0 HB ILE N 8 15.400 0.921 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE N 8 17.273 0.046 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE N 8 17.889 -0.843 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE N 8 17.372 2.271 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE N 8 16.897 2.634 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE N 8 18.304 1.592 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE N 8 16.377 -2.267 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE N 8 15.687 -1.990 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE N 8 15.062 -1.087 -2.431 1.00 0.00 H new ATOM 164 N LYS N 9 14.913 1.795 1.628 1.00 0.00 N ATOM 165 CA LYS N 9 14.615 2.883 2.550 1.00 0.00 C ATOM 166 C LYS N 9 14.923 2.457 3.982 1.00 0.00 C ATOM 167 O LYS N 9 15.267 3.285 4.825 1.00 0.00 O ATOM 168 CB LYS N 9 13.142 3.292 2.427 1.00 0.00 C ATOM 169 CG LYS N 9 12.965 4.745 2.887 1.00 0.00 C ATOM 170 CD LYS N 9 13.310 5.704 1.738 1.00 0.00 C ATOM 171 CE LYS N 9 12.064 5.974 0.890 1.00 0.00 C ATOM 172 NZ LYS N 9 12.404 6.938 -0.195 1.00 0.00 N ATOM 0 H LYS N 9 14.151 1.545 0.998 1.00 0.00 H new ATOM 0 HA LYS N 9 15.240 3.739 2.296 1.00 0.00 H new ATOM 0 HB2 LYS N 9 12.811 3.185 1.394 1.00 0.00 H new ATOM 0 HB3 LYS N 9 12.520 2.631 3.031 1.00 0.00 H new ATOM 0 HG2 LYS N 9 11.938 4.910 3.213 1.00 0.00 H new ATOM 0 HG3 LYS N 9 13.608 4.945 3.744 1.00 0.00 H new ATOM 0 HD2 LYS N 9 13.697 6.641 2.139 1.00 0.00 H new ATOM 0 HD3 LYS N 9 14.096 5.274 1.118 1.00 0.00 H new ATOM 0 HE2 LYS N 9 11.693 5.043 0.461 1.00 0.00 H new ATOM 0 HE3 LYS N 9 11.266 6.378 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS N 9 11.559 7.123 -0.772 1.00 0.00 H new ATOM 0 HZ2 LYS N 9 12.739 7.829 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS N 9 13.152 6.536 -0.795 1.00 0.00 H new ATOM 186 N ASP N 10 14.812 1.160 4.246 1.00 0.00 N ATOM 187 CA ASP N 10 15.098 0.637 5.576 1.00 0.00 C ATOM 188 C ASP N 10 16.604 0.578 5.796 1.00 0.00 C ATOM 189 O ASP N 10 17.085 0.630 6.927 1.00 0.00 O ATOM 190 CB ASP N 10 14.495 -0.759 5.743 1.00 0.00 C ATOM 191 CG ASP N 10 14.549 -1.177 7.208 1.00 0.00 C ATOM 192 OD1 ASP N 10 14.049 -0.431 8.035 1.00 0.00 O ATOM 193 OD2 ASP N 10 15.092 -2.234 7.483 1.00 0.00 O ATOM 0 H ASP N 10 14.529 0.457 3.563 1.00 0.00 H new ATOM 0 HA ASP N 10 14.651 1.302 6.315 1.00 0.00 H new ATOM 0 HB2 ASP N 10 13.463 -0.763 5.393 1.00 0.00 H new ATOM 0 HB3 ASP N 10 15.042 -1.476 5.131 1.00 0.00 H new ATOM 198 N PHE N 11 17.344 0.459 4.702 1.00 0.00 N ATOM 199 CA PHE N 11 18.794 0.391 4.778 1.00 0.00 C ATOM 200 C PHE N 11 19.364 1.731 5.249 1.00 0.00 C ATOM 201 O PHE N 11 20.200 1.771 6.152 1.00 0.00 O ATOM 202 CB PHE N 11 19.356 -0.003 3.403 1.00 0.00 C ATOM 203 CG PHE N 11 20.779 0.474 3.239 1.00 0.00 C ATOM 204 CD1 PHE N 11 21.683 0.378 4.302 1.00 0.00 C ATOM 205 CD2 PHE N 11 21.193 1.005 2.012 1.00 0.00 C ATOM 206 CE1 PHE N 11 23.001 0.816 4.138 1.00 0.00 C ATOM 207 CE2 PHE N 11 22.510 1.442 1.847 1.00 0.00 C ATOM 208 CZ PHE N 11 23.416 1.348 2.911 1.00 0.00 C ATOM 0 H PHE N 11 16.965 0.408 3.756 1.00 0.00 H new ATOM 0 HA PHE N 11 19.089 -0.366 5.505 1.00 0.00 H new ATOM 0 HB2 PHE N 11 19.317 -1.086 3.288 1.00 0.00 H new ATOM 0 HB3 PHE N 11 18.733 0.424 2.617 1.00 0.00 H new ATOM 0 HD1 PHE N 11 21.364 -0.034 5.248 1.00 0.00 H new ATOM 0 HD2 PHE N 11 20.494 1.077 1.192 1.00 0.00 H new ATOM 0 HE1 PHE N 11 23.699 0.744 4.959 1.00 0.00 H new ATOM 0 HE2 PHE N 11 22.829 1.852 0.900 1.00 0.00 H new ATOM 0 HZ PHE N 11 24.434 1.686 2.785 1.00 0.00 H new ATOM 218 N LEU N 12 18.911 2.826 4.640 1.00 0.00 N ATOM 219 CA LEU N 12 19.392 4.145 5.018 1.00 0.00 C ATOM 220 C LEU N 12 18.827 4.587 6.366 1.00 0.00 C ATOM 221 O LEU N 12 19.556 5.111 7.208 1.00 0.00 O ATOM 222 CB LEU N 12 18.995 5.167 3.955 1.00 0.00 C ATOM 223 CG LEU N 12 19.460 4.717 2.563 1.00 0.00 C ATOM 224 CD1 LEU N 12 20.927 4.279 2.610 1.00 0.00 C ATOM 225 CD2 LEU N 12 18.592 3.559 2.061 1.00 0.00 C ATOM 0 H LEU N 12 18.219 2.823 3.891 1.00 0.00 H new ATOM 0 HA LEU N 12 20.477 4.087 5.101 1.00 0.00 H new ATOM 0 HB2 LEU N 12 17.913 5.298 3.957 1.00 0.00 H new ATOM 0 HB3 LEU N 12 19.434 6.136 4.194 1.00 0.00 H new ATOM 0 HG LEU N 12 19.361 5.559 1.878 1.00 0.00 H new ATOM 0 HD11 LEU N 12 21.244 3.962 1.616 1.00 0.00 H new ATOM 0 HD12 LEU N 12 21.546 5.114 2.939 1.00 0.00 H new ATOM 0 HD13 LEU N 12 21.037 3.449 3.308 1.00 0.00 H new ATOM 0 HD21 LEU N 12 18.933 3.250 1.073 1.00 0.00 H new ATOM 0 HD22 LEU N 12 18.671 2.719 2.751 1.00 0.00 H new ATOM 0 HD23 LEU N 12 17.553 3.883 2.001 1.00 0.00 H new ATOM 237 N ARG N 13 17.530 4.380 6.565 1.00 0.00 N ATOM 238 CA ARG N 13 16.885 4.770 7.816 1.00 0.00 C ATOM 239 C ARG N 13 16.265 3.550 8.467 1.00 0.00 C ATOM 240 O ARG N 13 15.861 3.591 9.628 1.00 0.00 O ATOM 241 CB ARG N 13 15.797 5.812 7.543 1.00 0.00 C ATOM 242 CG ARG N 13 16.441 7.141 7.134 1.00 0.00 C ATOM 243 CD ARG N 13 17.216 7.741 8.318 1.00 0.00 C ATOM 244 NE ARG N 13 16.965 9.180 8.427 1.00 0.00 N ATOM 245 CZ ARG N 13 16.933 9.976 7.359 1.00 0.00 C ATOM 246 NH1 ARG N 13 17.199 9.504 6.172 1.00 0.00 N ATOM 247 NH2 ARG N 13 16.656 11.243 7.504 1.00 0.00 N ATOM 0 H ARG N 13 16.907 3.948 5.883 1.00 0.00 H new ATOM 0 HA ARG N 13 17.632 5.201 8.483 1.00 0.00 H new ATOM 0 HB2 ARG N 13 15.134 5.460 6.752 1.00 0.00 H new ATOM 0 HB3 ARG N 13 15.184 5.953 8.433 1.00 0.00 H new ATOM 0 HG2 ARG N 13 17.114 6.983 6.291 1.00 0.00 H new ATOM 0 HG3 ARG N 13 15.673 7.839 6.802 1.00 0.00 H new ATOM 0 HD2 ARG N 13 16.920 7.244 9.242 1.00 0.00 H new ATOM 0 HD3 ARG N 13 18.283 7.562 8.188 1.00 0.00 H new ATOM 0 HE ARG N 13 16.810 9.586 9.350 1.00 0.00 H new ATOM 0 HH11 ARG N 13 17.434 8.518 6.056 1.00 0.00 H new ATOM 0 HH12 ARG N 13 17.172 10.121 5.360 1.00 0.00 H new ATOM 0 HH21 ARG N 13 16.465 11.620 8.432 1.00 0.00 H new ATOM 0 HH22 ARG N 13 16.630 11.856 6.689 1.00 0.00 H new HETATM 261 N NH2 N 14 16.180 2.454 7.775 1.00 0.00 N TER 264 NH2 N 14