USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=4 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+ -168:sc= -0.0964 (180deg=-0.33) USER MOD Single : N 2 LYS NZ :NH3+ 161:sc= -0.0118 (180deg=-0.479) USER MOD Single : N 6 GLN :FLIP amide:sc= -0.327 F(o=-2.7!,f=-0.33) USER MOD Single : N 9 LYS NZ :NH3+ 177:sc= -3.61! (180deg=-3.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE N 1 4.561 4.243 -1.507 1.00 0.00 N ATOM 2 CA PHE N 1 5.994 4.506 -1.825 1.00 0.00 C ATOM 3 C PHE N 1 6.861 4.039 -0.660 1.00 0.00 C ATOM 4 O PHE N 1 8.062 3.825 -0.816 1.00 0.00 O ATOM 5 CB PHE N 1 6.191 6.006 -2.064 1.00 0.00 C ATOM 6 CG PHE N 1 7.608 6.278 -2.521 1.00 0.00 C ATOM 7 CD1 PHE N 1 8.094 5.690 -3.697 1.00 0.00 C ATOM 8 CD2 PHE N 1 8.436 7.126 -1.772 1.00 0.00 C ATOM 9 CE1 PHE N 1 9.402 5.950 -4.122 1.00 0.00 C ATOM 10 CE2 PHE N 1 9.745 7.383 -2.198 1.00 0.00 C ATOM 11 CZ PHE N 1 10.227 6.796 -3.372 1.00 0.00 C ATOM 0 H1 PHE N 1 3.987 4.367 -2.365 1.00 0.00 H new ATOM 0 H2 PHE N 1 4.456 3.269 -1.158 1.00 0.00 H new ATOM 0 H3 PHE N 1 4.240 4.909 -0.776 1.00 0.00 H new ATOM 0 HA PHE N 1 6.283 3.962 -2.724 1.00 0.00 H new ATOM 0 HB2 PHE N 1 5.484 6.358 -2.815 1.00 0.00 H new ATOM 0 HB3 PHE N 1 5.984 6.559 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE N 1 7.459 5.036 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE N 1 8.064 7.581 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE N 1 9.775 5.498 -5.029 1.00 0.00 H new ATOM 0 HE2 PHE N 1 10.383 8.035 -1.619 1.00 0.00 H new ATOM 0 HZ PHE N 1 11.236 6.996 -3.700 1.00 0.00 H new ATOM 23 N LYS N 2 6.242 3.879 0.505 1.00 0.00 N ATOM 24 CA LYS N 2 6.969 3.434 1.689 1.00 0.00 C ATOM 25 C LYS N 2 7.375 1.971 1.546 1.00 0.00 C ATOM 26 O LYS N 2 8.386 1.540 2.101 1.00 0.00 O ATOM 27 CB LYS N 2 6.096 3.604 2.933 1.00 0.00 C ATOM 28 CG LYS N 2 4.728 2.962 2.691 1.00 0.00 C ATOM 29 CD LYS N 2 3.908 3.006 3.982 1.00 0.00 C ATOM 30 CE LYS N 2 2.467 2.584 3.687 1.00 0.00 C ATOM 31 NZ LYS N 2 2.467 1.249 3.023 1.00 0.00 N ATOM 0 H LYS N 2 5.247 4.049 0.655 1.00 0.00 H new ATOM 0 HA LYS N 2 7.868 4.042 1.792 1.00 0.00 H new ATOM 0 HB2 LYS N 2 6.579 3.142 3.794 1.00 0.00 H new ATOM 0 HB3 LYS N 2 5.977 4.663 3.164 1.00 0.00 H new ATOM 0 HG2 LYS N 2 4.202 3.490 1.896 1.00 0.00 H new ATOM 0 HG3 LYS N 2 4.852 1.930 2.361 1.00 0.00 H new ATOM 0 HD2 LYS N 2 4.347 2.342 4.727 1.00 0.00 H new ATOM 0 HD3 LYS N 2 3.925 4.012 4.402 1.00 0.00 H new ATOM 0 HE2 LYS N 2 1.892 2.542 4.612 1.00 0.00 H new ATOM 0 HE3 LYS N 2 1.985 3.321 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS N 2 1.524 0.818 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS N 2 2.705 1.362 2.017 1.00 0.00 H new ATOM 0 HZ3 LYS N 2 3.172 0.635 3.478 1.00 0.00 H new ATOM 45 N ARG N 3 6.581 1.212 0.798 1.00 0.00 N ATOM 46 CA ARG N 3 6.866 -0.203 0.587 1.00 0.00 C ATOM 47 C ARG N 3 8.024 -0.372 -0.391 1.00 0.00 C ATOM 48 O ARG N 3 8.910 -1.201 -0.181 1.00 0.00 O ATOM 49 CB ARG N 3 5.622 -0.910 0.043 1.00 0.00 C ATOM 50 CG ARG N 3 5.785 -2.430 0.178 1.00 0.00 C ATOM 51 CD ARG N 3 5.396 -2.878 1.594 1.00 0.00 C ATOM 52 NE ARG N 3 6.296 -3.931 2.066 1.00 0.00 N ATOM 53 CZ ARG N 3 6.681 -4.936 1.281 1.00 0.00 C ATOM 54 NH1 ARG N 3 6.198 -5.054 0.074 1.00 0.00 N ATOM 55 NH2 ARG N 3 7.528 -5.822 1.730 1.00 0.00 N ATOM 0 H ARG N 3 5.740 1.550 0.330 1.00 0.00 H new ATOM 0 HA ARG N 3 7.145 -0.648 1.542 1.00 0.00 H new ATOM 0 HB2 ARG N 3 4.738 -0.580 0.588 1.00 0.00 H new ATOM 0 HB3 ARG N 3 5.469 -0.643 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG N 3 5.160 -2.937 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG N 3 6.817 -2.713 -0.031 1.00 0.00 H new ATOM 0 HD2 ARG N 3 5.435 -2.027 2.274 1.00 0.00 H new ATOM 0 HD3 ARG N 3 4.369 -3.242 1.597 1.00 0.00 H new ATOM 0 HE ARG N 3 6.639 -3.894 3.026 1.00 0.00 H new ATOM 0 HH11 ARG N 3 5.521 -4.374 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG N 3 6.497 -5.826 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG N 3 7.893 -5.744 2.679 1.00 0.00 H new ATOM 0 HH22 ARG N 3 7.825 -6.593 1.132 1.00 0.00 H new ATOM 69 N ILE N 4 8.017 0.424 -1.456 1.00 0.00 N ATOM 70 CA ILE N 4 9.079 0.355 -2.453 1.00 0.00 C ATOM 71 C ILE N 4 10.356 0.970 -1.896 1.00 0.00 C ATOM 72 O ILE N 4 11.460 0.549 -2.236 1.00 0.00 O ATOM 73 CB ILE N 4 8.663 1.095 -3.731 1.00 0.00 C ATOM 74 CG1 ILE N 4 7.489 0.363 -4.405 1.00 0.00 C ATOM 75 CG2 ILE N 4 9.851 1.145 -4.695 1.00 0.00 C ATOM 76 CD1 ILE N 4 6.159 0.895 -3.862 1.00 0.00 C ATOM 0 H ILE N 4 7.295 1.118 -1.650 1.00 0.00 H new ATOM 0 HA ILE N 4 9.259 -0.692 -2.696 1.00 0.00 H new ATOM 0 HB ILE N 4 8.352 2.108 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE N 4 7.533 0.505 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE N 4 7.564 -0.709 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE N 4 9.560 1.670 -5.605 1.00 0.00 H new ATOM 0 HG22 ILE N 4 10.681 1.671 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE N 4 10.160 0.130 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE N 4 5.334 0.372 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE N 4 6.114 0.730 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE N 4 6.082 1.962 -4.069 1.00 0.00 H new ATOM 88 N VAL N 5 10.197 1.963 -1.032 1.00 0.00 N ATOM 89 CA VAL N 5 11.346 2.619 -0.424 1.00 0.00 C ATOM 90 C VAL N 5 12.021 1.673 0.562 1.00 0.00 C ATOM 91 O VAL N 5 13.221 1.769 0.809 1.00 0.00 O ATOM 92 CB VAL N 5 10.892 3.887 0.311 1.00 0.00 C ATOM 93 CG1 VAL N 5 11.980 4.340 1.289 1.00 0.00 C ATOM 94 CG2 VAL N 5 10.625 5.002 -0.704 1.00 0.00 C ATOM 0 H VAL N 5 9.292 2.330 -0.738 1.00 0.00 H new ATOM 0 HA VAL N 5 12.055 2.889 -1.206 1.00 0.00 H new ATOM 0 HB VAL N 5 9.978 3.670 0.864 1.00 0.00 H new ATOM 0 HG11 VAL N 5 11.651 5.241 1.807 1.00 0.00 H new ATOM 0 HG12 VAL N 5 12.167 3.550 2.017 1.00 0.00 H new ATOM 0 HG13 VAL N 5 12.897 4.552 0.740 1.00 0.00 H new ATOM 0 HG21 VAL N 5 10.303 5.902 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL N 5 11.538 5.214 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL N 5 9.844 4.685 -1.395 1.00 0.00 H new ATOM 104 N GLN N 6 11.231 0.768 1.128 1.00 0.00 N ATOM 105 CA GLN N 6 11.742 -0.189 2.102 1.00 0.00 C ATOM 106 C GLN N 6 12.764 -1.135 1.477 1.00 0.00 C ATOM 107 O GLN N 6 13.817 -1.392 2.060 1.00 0.00 O ATOM 108 CB GLN N 6 10.578 -1.002 2.678 1.00 0.00 C ATOM 109 CG GLN N 6 10.916 -1.458 4.099 1.00 0.00 C ATOM 110 CD GLN N 6 10.804 -0.284 5.066 1.00 0.00 C ATOM 111 OE1 GLN N 6 10.609 0.918 4.598 1.00 0.00 O flip ATOM 112 NE2 GLN N 6 10.896 -0.467 6.280 1.00 0.00 N flip ATOM 0 H GLN N 6 10.235 0.677 0.929 1.00 0.00 H new ATOM 0 HA GLN N 6 12.240 0.369 2.895 1.00 0.00 H new ATOM 0 HB2 GLN N 6 9.670 -0.399 2.686 1.00 0.00 H new ATOM 0 HB3 GLN N 6 10.380 -1.868 2.046 1.00 0.00 H new ATOM 0 HG2 GLN N 6 10.239 -2.256 4.404 1.00 0.00 H new ATOM 0 HG3 GLN N 6 11.926 -1.868 4.127 1.00 0.00 H new ATOM 0 HE21 GLN N 6 11.048 -1.408 6.644 1.00 0.00 H new ATOM 0 HE22 GLN N 6 10.820 0.322 6.922 1.00 0.00 H new ATOM 121 N ARG N 7 12.448 -1.663 0.300 1.00 0.00 N ATOM 122 CA ARG N 7 13.358 -2.591 -0.366 1.00 0.00 C ATOM 123 C ARG N 7 14.590 -1.865 -0.905 1.00 0.00 C ATOM 124 O ARG N 7 15.690 -2.418 -0.912 1.00 0.00 O ATOM 125 CB ARG N 7 12.632 -3.323 -1.504 1.00 0.00 C ATOM 126 CG ARG N 7 12.649 -2.468 -2.774 1.00 0.00 C ATOM 127 CD ARG N 7 11.581 -2.971 -3.747 1.00 0.00 C ATOM 128 NE ARG N 7 11.883 -4.333 -4.171 1.00 0.00 N ATOM 129 CZ ARG N 7 10.960 -5.093 -4.753 1.00 0.00 C ATOM 130 NH1 ARG N 7 9.758 -4.623 -4.950 1.00 0.00 N ATOM 131 NH2 ARG N 7 11.255 -6.308 -5.126 1.00 0.00 N ATOM 0 H ARG N 7 11.584 -1.470 -0.207 1.00 0.00 H new ATOM 0 HA ARG N 7 13.692 -3.322 0.370 1.00 0.00 H new ATOM 0 HB2 ARG N 7 13.113 -4.282 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG N 7 11.603 -3.535 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG N 7 12.464 -1.423 -2.524 1.00 0.00 H new ATOM 0 HG3 ARG N 7 13.632 -2.514 -3.242 1.00 0.00 H new ATOM 0 HD2 ARG N 7 10.601 -2.940 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG N 7 11.533 -2.315 -4.616 1.00 0.00 H new ATOM 0 HE ARG N 7 12.819 -4.709 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG N 7 9.527 -3.673 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG N 7 9.050 -5.205 -5.396 1.00 0.00 H new ATOM 0 HH21 ARG N 7 12.194 -6.675 -4.971 1.00 0.00 H new ATOM 0 HH22 ARG N 7 10.547 -6.891 -5.572 1.00 0.00 H new ATOM 145 N ILE N 8 14.403 -0.627 -1.350 1.00 0.00 N ATOM 146 CA ILE N 8 15.516 0.155 -1.881 1.00 0.00 C ATOM 147 C ILE N 8 16.414 0.637 -0.748 1.00 0.00 C ATOM 148 O ILE N 8 17.632 0.617 -0.869 1.00 0.00 O ATOM 149 CB ILE N 8 14.988 1.355 -2.674 1.00 0.00 C ATOM 150 CG1 ILE N 8 14.357 0.863 -3.980 1.00 0.00 C ATOM 151 CG2 ILE N 8 16.142 2.307 -2.999 1.00 0.00 C ATOM 152 CD1 ILE N 8 13.581 2.007 -4.635 1.00 0.00 C ATOM 0 H ILE N 8 13.503 -0.147 -1.355 1.00 0.00 H new ATOM 0 HA ILE N 8 16.100 -0.481 -2.546 1.00 0.00 H new ATOM 0 HB ILE N 8 14.241 1.880 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE N 8 15.131 0.501 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE N 8 13.690 0.024 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE N 8 15.763 3.159 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE N 8 16.596 2.658 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE N 8 16.890 1.782 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE N 8 13.132 1.657 -5.564 1.00 0.00 H new ATOM 0 HD12 ILE N 8 12.797 2.348 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE N 8 14.260 2.832 -4.849 1.00 0.00 H new ATOM 164 N LYS N 9 15.809 1.061 0.353 1.00 0.00 N ATOM 165 CA LYS N 9 16.582 1.530 1.497 1.00 0.00 C ATOM 166 C LYS N 9 17.218 0.340 2.210 1.00 0.00 C ATOM 167 O LYS N 9 18.346 0.424 2.697 1.00 0.00 O ATOM 168 CB LYS N 9 15.671 2.319 2.451 1.00 0.00 C ATOM 169 CG LYS N 9 16.272 2.368 3.866 1.00 0.00 C ATOM 170 CD LYS N 9 15.660 1.253 4.725 1.00 0.00 C ATOM 171 CE LYS N 9 14.345 1.740 5.349 1.00 0.00 C ATOM 172 NZ LYS N 9 13.681 2.715 4.437 1.00 0.00 N ATOM 0 H LYS N 9 14.797 1.090 0.479 1.00 0.00 H new ATOM 0 HA LYS N 9 17.377 2.192 1.155 1.00 0.00 H new ATOM 0 HB2 LYS N 9 15.534 3.333 2.074 1.00 0.00 H new ATOM 0 HB3 LYS N 9 14.685 1.855 2.486 1.00 0.00 H new ATOM 0 HG2 LYS N 9 17.354 2.250 3.816 1.00 0.00 H new ATOM 0 HG3 LYS N 9 16.078 3.339 4.321 1.00 0.00 H new ATOM 0 HD2 LYS N 9 15.478 0.369 4.114 1.00 0.00 H new ATOM 0 HD3 LYS N 9 16.359 0.960 5.509 1.00 0.00 H new ATOM 0 HE2 LYS N 9 13.684 0.893 5.533 1.00 0.00 H new ATOM 0 HE3 LYS N 9 14.541 2.207 6.314 1.00 0.00 H new ATOM 0 HZ1 LYS N 9 12.767 3.002 4.842 1.00 0.00 H new ATOM 0 HZ2 LYS N 9 14.287 3.552 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS N 9 13.525 2.272 3.509 1.00 0.00 H new ATOM 186 N ASP N 10 16.492 -0.770 2.250 1.00 0.00 N ATOM 187 CA ASP N 10 16.995 -1.981 2.886 1.00 0.00 C ATOM 188 C ASP N 10 18.193 -2.512 2.110 1.00 0.00 C ATOM 189 O ASP N 10 19.046 -3.213 2.651 1.00 0.00 O ATOM 190 CB ASP N 10 15.899 -3.048 2.935 1.00 0.00 C ATOM 191 CG ASP N 10 16.446 -4.328 3.557 1.00 0.00 C ATOM 192 OD1 ASP N 10 17.345 -4.910 2.973 1.00 0.00 O ATOM 193 OD2 ASP N 10 15.957 -4.707 4.608 1.00 0.00 O ATOM 0 H ASP N 10 15.557 -0.857 1.852 1.00 0.00 H new ATOM 0 HA ASP N 10 17.301 -1.741 3.904 1.00 0.00 H new ATOM 0 HB2 ASP N 10 15.052 -2.684 3.516 1.00 0.00 H new ATOM 0 HB3 ASP N 10 15.532 -3.251 1.929 1.00 0.00 H new ATOM 198 N PHE N 11 18.236 -2.182 0.829 1.00 0.00 N ATOM 199 CA PHE N 11 19.319 -2.628 -0.031 1.00 0.00 C ATOM 200 C PHE N 11 20.657 -2.032 0.428 1.00 0.00 C ATOM 201 O PHE N 11 21.627 -2.765 0.625 1.00 0.00 O ATOM 202 CB PHE N 11 18.992 -2.237 -1.479 1.00 0.00 C ATOM 203 CG PHE N 11 20.240 -2.159 -2.324 1.00 0.00 C ATOM 204 CD1 PHE N 11 21.278 -3.078 -2.142 1.00 0.00 C ATOM 205 CD2 PHE N 11 20.349 -1.164 -3.302 1.00 0.00 C ATOM 206 CE1 PHE N 11 22.426 -3.000 -2.938 1.00 0.00 C ATOM 207 CE2 PHE N 11 21.494 -1.084 -4.097 1.00 0.00 C ATOM 208 CZ PHE N 11 22.535 -2.003 -3.916 1.00 0.00 C ATOM 0 H PHE N 11 17.534 -1.607 0.363 1.00 0.00 H new ATOM 0 HA PHE N 11 19.418 -3.712 0.029 1.00 0.00 H new ATOM 0 HB2 PHE N 11 18.305 -2.967 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE N 11 18.482 -1.274 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE N 11 21.194 -3.847 -1.388 1.00 0.00 H new ATOM 0 HD2 PHE N 11 19.545 -0.456 -3.442 1.00 0.00 H new ATOM 0 HE1 PHE N 11 23.229 -3.709 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE N 11 21.577 -0.315 -4.850 1.00 0.00 H new ATOM 0 HZ PHE N 11 23.421 -1.943 -4.530 1.00 0.00 H new ATOM 218 N LEU N 12 20.714 -0.709 0.597 1.00 0.00 N ATOM 219 CA LEU N 12 21.946 -0.064 1.029 1.00 0.00 C ATOM 220 C LEU N 12 22.218 -0.289 2.515 1.00 0.00 C ATOM 221 O LEU N 12 23.361 -0.514 2.912 1.00 0.00 O ATOM 222 CB LEU N 12 21.872 1.439 0.767 1.00 0.00 C ATOM 223 CG LEU N 12 21.505 1.722 -0.695 1.00 0.00 C ATOM 224 CD1 LEU N 12 22.390 0.897 -1.633 1.00 0.00 C ATOM 225 CD2 LEU N 12 20.032 1.385 -0.942 1.00 0.00 C ATOM 0 H LEU N 12 19.930 -0.075 0.443 1.00 0.00 H new ATOM 0 HA LEU N 12 22.759 -0.511 0.456 1.00 0.00 H new ATOM 0 HB2 LEU N 12 21.131 1.891 1.426 1.00 0.00 H new ATOM 0 HB3 LEU N 12 22.831 1.901 1.001 1.00 0.00 H new ATOM 0 HG LEU N 12 21.667 2.781 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU N 12 22.119 1.107 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU N 12 23.435 1.159 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU N 12 22.247 -0.164 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU N 12 19.782 1.589 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU N 12 19.859 0.330 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU N 12 19.405 1.995 -0.291 1.00 0.00 H new ATOM 237 N ARG N 13 21.174 -0.218 3.333 1.00 0.00 N ATOM 238 CA ARG N 13 21.328 -0.407 4.773 1.00 0.00 C ATOM 239 C ARG N 13 20.496 -1.590 5.223 1.00 0.00 C ATOM 240 O ARG N 13 20.688 -2.115 6.320 1.00 0.00 O ATOM 241 CB ARG N 13 20.875 0.852 5.519 1.00 0.00 C ATOM 242 CG ARG N 13 21.801 2.026 5.169 1.00 0.00 C ATOM 243 CD ARG N 13 22.987 2.061 6.138 1.00 0.00 C ATOM 244 NE ARG N 13 22.603 2.719 7.382 1.00 0.00 N ATOM 245 CZ ARG N 13 23.342 2.598 8.480 1.00 0.00 C ATOM 246 NH1 ARG N 13 24.431 1.879 8.458 1.00 0.00 N ATOM 247 NH2 ARG N 13 22.979 3.198 9.580 1.00 0.00 N ATOM 0 H ARG N 13 20.218 -0.033 3.028 1.00 0.00 H new ATOM 0 HA ARG N 13 22.378 -0.595 4.996 1.00 0.00 H new ATOM 0 HB2 ARG N 13 19.847 1.095 5.250 1.00 0.00 H new ATOM 0 HB3 ARG N 13 20.889 0.674 6.594 1.00 0.00 H new ATOM 0 HG2 ARG N 13 22.160 1.925 4.145 1.00 0.00 H new ATOM 0 HG3 ARG N 13 21.249 2.964 5.222 1.00 0.00 H new ATOM 0 HD2 ARG N 13 23.327 1.046 6.345 1.00 0.00 H new ATOM 0 HD3 ARG N 13 23.823 2.590 5.681 1.00 0.00 H new ATOM 0 HE ARG N 13 21.753 3.282 7.410 1.00 0.00 H new ATOM 0 HH11 ARG N 13 24.715 1.410 7.598 1.00 0.00 H new ATOM 0 HH12 ARG N 13 24.998 1.786 9.301 1.00 0.00 H new ATOM 0 HH21 ARG N 13 22.128 3.760 9.597 1.00 0.00 H new ATOM 0 HH22 ARG N 13 23.546 3.105 10.423 1.00 0.00 H new HETATM 261 N NH2 N 14 19.582 -2.046 4.423 1.00 0.00 N TER 264 NH2 N 14