USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=2 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+ -177:sc= -0.184 (180deg=-0.206) USER MOD Single : N 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : N 6 GLN : amide:sc= -0.506 K(o=-0.51,f=-3.2!) USER MOD Single : N 9 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.297) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE N 1 3.923 -1.844 3.259 1.00 0.00 N ATOM 2 CA PHE N 1 5.128 -2.658 2.932 1.00 0.00 C ATOM 3 C PHE N 1 6.083 -1.827 2.084 1.00 0.00 C ATOM 4 O PHE N 1 7.183 -2.267 1.759 1.00 0.00 O ATOM 5 CB PHE N 1 4.699 -3.909 2.159 1.00 0.00 C ATOM 6 CG PHE N 1 5.828 -4.918 2.146 1.00 0.00 C ATOM 7 CD1 PHE N 1 6.295 -5.463 3.349 1.00 0.00 C ATOM 8 CD2 PHE N 1 6.403 -5.315 0.930 1.00 0.00 C ATOM 9 CE1 PHE N 1 7.333 -6.402 3.337 1.00 0.00 C ATOM 10 CE2 PHE N 1 7.442 -6.254 0.921 1.00 0.00 C ATOM 11 CZ PHE N 1 7.907 -6.797 2.123 1.00 0.00 C ATOM 0 H1 PHE N 1 3.293 -2.391 3.880 1.00 0.00 H new ATOM 0 H2 PHE N 1 4.215 -0.971 3.744 1.00 0.00 H new ATOM 0 H3 PHE N 1 3.420 -1.601 2.382 1.00 0.00 H new ATOM 0 HA PHE N 1 5.632 -2.958 3.851 1.00 0.00 H new ATOM 0 HB2 PHE N 1 3.814 -4.347 2.620 1.00 0.00 H new ATOM 0 HB3 PHE N 1 4.427 -3.641 1.138 1.00 0.00 H new ATOM 0 HD1 PHE N 1 5.854 -5.158 4.287 1.00 0.00 H new ATOM 0 HD2 PHE N 1 6.045 -4.897 0.001 1.00 0.00 H new ATOM 0 HE1 PHE N 1 7.691 -6.822 4.265 1.00 0.00 H new ATOM 0 HE2 PHE N 1 7.885 -6.559 -0.016 1.00 0.00 H new ATOM 0 HZ PHE N 1 8.709 -7.521 2.115 1.00 0.00 H new ATOM 23 N LYS N 2 5.651 -0.625 1.722 1.00 0.00 N ATOM 24 CA LYS N 2 6.477 0.255 0.905 1.00 0.00 C ATOM 25 C LYS N 2 7.581 0.900 1.737 1.00 0.00 C ATOM 26 O LYS N 2 8.700 1.081 1.260 1.00 0.00 O ATOM 27 CB LYS N 2 5.608 1.343 0.269 1.00 0.00 C ATOM 28 CG LYS N 2 4.292 0.730 -0.216 1.00 0.00 C ATOM 29 CD LYS N 2 4.586 -0.485 -1.100 1.00 0.00 C ATOM 30 CE LYS N 2 3.326 -0.869 -1.877 1.00 0.00 C ATOM 31 NZ LYS N 2 3.548 -2.169 -2.572 1.00 0.00 N ATOM 0 H LYS N 2 4.742 -0.240 1.978 1.00 0.00 H new ATOM 0 HA LYS N 2 6.942 -0.345 0.123 1.00 0.00 H new ATOM 0 HB2 LYS N 2 5.408 2.133 0.993 1.00 0.00 H new ATOM 0 HB3 LYS N 2 6.136 1.803 -0.566 1.00 0.00 H new ATOM 0 HG2 LYS N 2 3.682 0.433 0.637 1.00 0.00 H new ATOM 0 HG3 LYS N 2 3.719 1.469 -0.776 1.00 0.00 H new ATOM 0 HD2 LYS N 2 5.397 -0.257 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS N 2 4.917 -1.323 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS N 2 2.477 -0.948 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS N 2 3.083 -0.093 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS N 2 2.691 -2.431 -3.101 1.00 0.00 H new ATOM 0 HZ2 LYS N 2 4.347 -2.078 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS N 2 3.760 -2.906 -1.870 1.00 0.00 H new ATOM 45 N ARG N 3 7.259 1.250 2.978 1.00 0.00 N ATOM 46 CA ARG N 3 8.235 1.883 3.863 1.00 0.00 C ATOM 47 C ARG N 3 9.372 0.919 4.196 1.00 0.00 C ATOM 48 O ARG N 3 10.541 1.303 4.194 1.00 0.00 O ATOM 49 CB ARG N 3 7.547 2.346 5.153 1.00 0.00 C ATOM 50 CG ARG N 3 8.308 3.538 5.749 1.00 0.00 C ATOM 51 CD ARG N 3 7.535 4.099 6.946 1.00 0.00 C ATOM 52 NE ARG N 3 7.777 3.288 8.133 1.00 0.00 N ATOM 53 CZ ARG N 3 7.485 3.745 9.347 1.00 0.00 C ATOM 54 NH1 ARG N 3 6.974 4.937 9.489 1.00 0.00 N ATOM 55 NH2 ARG N 3 7.710 3.001 10.395 1.00 0.00 N ATOM 0 H ARG N 3 6.338 1.108 3.393 1.00 0.00 H new ATOM 0 HA ARG N 3 8.656 2.747 3.349 1.00 0.00 H new ATOM 0 HB2 ARG N 3 6.515 2.629 4.944 1.00 0.00 H new ATOM 0 HB3 ARG N 3 7.514 1.528 5.872 1.00 0.00 H new ATOM 0 HG2 ARG N 3 9.304 3.226 6.062 1.00 0.00 H new ATOM 0 HG3 ARG N 3 8.439 4.313 4.993 1.00 0.00 H new ATOM 0 HD2 ARG N 3 7.839 5.129 7.133 1.00 0.00 H new ATOM 0 HD3 ARG N 3 6.468 4.118 6.722 1.00 0.00 H new ATOM 0 HE ARG N 3 8.177 2.355 8.031 1.00 0.00 H new ATOM 0 HH11 ARG N 3 6.799 5.518 8.669 1.00 0.00 H new ATOM 0 HH12 ARG N 3 6.750 5.288 10.420 1.00 0.00 H new ATOM 0 HH21 ARG N 3 8.110 2.069 10.283 1.00 0.00 H new ATOM 0 HH22 ARG N 3 7.486 3.351 11.327 1.00 0.00 H new ATOM 69 N ILE N 4 9.028 -0.335 4.475 1.00 0.00 N ATOM 70 CA ILE N 4 10.045 -1.330 4.797 1.00 0.00 C ATOM 71 C ILE N 4 10.816 -1.707 3.539 1.00 0.00 C ATOM 72 O ILE N 4 12.042 -1.818 3.559 1.00 0.00 O ATOM 73 CB ILE N 4 9.398 -2.574 5.409 1.00 0.00 C ATOM 74 CG1 ILE N 4 10.479 -3.617 5.704 1.00 0.00 C ATOM 75 CG2 ILE N 4 8.380 -3.158 4.429 1.00 0.00 C ATOM 76 CD1 ILE N 4 9.888 -4.737 6.561 1.00 0.00 C ATOM 0 H ILE N 4 8.069 -0.682 4.485 1.00 0.00 H new ATOM 0 HA ILE N 4 10.736 -0.904 5.525 1.00 0.00 H new ATOM 0 HB ILE N 4 8.892 -2.301 6.335 1.00 0.00 H new ATOM 0 HG12 ILE N 4 10.869 -4.025 4.772 1.00 0.00 H new ATOM 0 HG13 ILE N 4 11.317 -3.151 6.223 1.00 0.00 H new ATOM 0 HG21 ILE N 4 7.920 -4.044 4.867 1.00 0.00 H new ATOM 0 HG22 ILE N 4 7.610 -2.416 4.219 1.00 0.00 H new ATOM 0 HG23 ILE N 4 8.883 -3.431 3.501 1.00 0.00 H new ATOM 0 HD11 ILE N 4 10.658 -5.479 6.771 1.00 0.00 H new ATOM 0 HD12 ILE N 4 9.519 -4.322 7.499 1.00 0.00 H new ATOM 0 HD13 ILE N 4 9.065 -5.209 6.025 1.00 0.00 H new ATOM 88 N VAL N 5 10.091 -1.879 2.439 1.00 0.00 N ATOM 89 CA VAL N 5 10.721 -2.213 1.168 1.00 0.00 C ATOM 90 C VAL N 5 11.543 -1.022 0.693 1.00 0.00 C ATOM 91 O VAL N 5 12.534 -1.178 -0.020 1.00 0.00 O ATOM 92 CB VAL N 5 9.652 -2.568 0.128 1.00 0.00 C ATOM 93 CG1 VAL N 5 10.265 -2.549 -1.274 1.00 0.00 C ATOM 94 CG2 VAL N 5 9.102 -3.967 0.414 1.00 0.00 C ATOM 0 H VAL N 5 9.075 -1.794 2.402 1.00 0.00 H new ATOM 0 HA VAL N 5 11.374 -3.076 1.299 1.00 0.00 H new ATOM 0 HB VAL N 5 8.846 -1.836 0.184 1.00 0.00 H new ATOM 0 HG11 VAL N 5 9.501 -2.802 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL N 5 10.657 -1.554 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL N 5 11.074 -3.277 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL N 5 8.342 -4.218 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL N 5 9.912 -4.694 0.363 1.00 0.00 H new ATOM 0 HG23 VAL N 5 8.659 -3.987 1.410 1.00 0.00 H new ATOM 104 N GLN N 6 11.125 0.169 1.108 1.00 0.00 N ATOM 105 CA GLN N 6 11.827 1.390 0.738 1.00 0.00 C ATOM 106 C GLN N 6 13.262 1.337 1.255 1.00 0.00 C ATOM 107 O GLN N 6 14.171 1.911 0.655 1.00 0.00 O ATOM 108 CB GLN N 6 11.095 2.606 1.327 1.00 0.00 C ATOM 109 CG GLN N 6 10.279 3.302 0.233 1.00 0.00 C ATOM 110 CD GLN N 6 11.214 3.979 -0.763 1.00 0.00 C ATOM 111 OE1 GLN N 6 12.434 3.861 -0.650 1.00 0.00 O ATOM 112 NE2 GLN N 6 10.712 4.685 -1.739 1.00 0.00 N ATOM 0 H GLN N 6 10.306 0.314 1.699 1.00 0.00 H new ATOM 0 HA GLN N 6 11.847 1.481 -0.348 1.00 0.00 H new ATOM 0 HB2 GLN N 6 10.438 2.289 2.137 1.00 0.00 H new ATOM 0 HB3 GLN N 6 11.815 3.303 1.755 1.00 0.00 H new ATOM 0 HG2 GLN N 6 9.651 2.575 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN N 6 9.613 4.040 0.679 1.00 0.00 H new ATOM 0 HE21 GLN N 6 9.701 4.782 -1.831 1.00 0.00 H new ATOM 0 HE22 GLN N 6 11.331 5.140 -2.410 1.00 0.00 H new ATOM 121 N ARG N 7 13.459 0.633 2.368 1.00 0.00 N ATOM 122 CA ARG N 7 14.789 0.501 2.948 1.00 0.00 C ATOM 123 C ARG N 7 15.732 -0.153 1.946 1.00 0.00 C ATOM 124 O ARG N 7 16.899 0.222 1.836 1.00 0.00 O ATOM 125 CB ARG N 7 14.726 -0.345 4.222 1.00 0.00 C ATOM 126 CG ARG N 7 13.703 0.257 5.191 1.00 0.00 C ATOM 127 CD ARG N 7 14.174 1.640 5.652 1.00 0.00 C ATOM 128 NE ARG N 7 13.760 2.660 4.696 1.00 0.00 N ATOM 129 CZ ARG N 7 13.776 3.949 5.016 1.00 0.00 C ATOM 130 NH1 ARG N 7 14.170 4.321 6.203 1.00 0.00 N ATOM 131 NH2 ARG N 7 13.400 4.843 4.143 1.00 0.00 N ATOM 0 H ARG N 7 12.721 0.150 2.880 1.00 0.00 H new ATOM 0 HA ARG N 7 15.162 1.494 3.197 1.00 0.00 H new ATOM 0 HB2 ARG N 7 14.449 -1.370 3.976 1.00 0.00 H new ATOM 0 HB3 ARG N 7 15.708 -0.384 4.693 1.00 0.00 H new ATOM 0 HG2 ARG N 7 12.731 0.338 4.704 1.00 0.00 H new ATOM 0 HG3 ARG N 7 13.575 -0.399 6.052 1.00 0.00 H new ATOM 0 HD2 ARG N 7 13.760 1.864 6.635 1.00 0.00 H new ATOM 0 HD3 ARG N 7 15.259 1.647 5.754 1.00 0.00 H new ATOM 0 HE ARG N 7 13.453 2.379 3.765 1.00 0.00 H new ATOM 0 HH11 ARG N 7 14.466 3.622 6.885 1.00 0.00 H new ATOM 0 HH12 ARG N 7 14.183 5.311 6.449 1.00 0.00 H new ATOM 0 HH21 ARG N 7 13.094 4.552 3.215 1.00 0.00 H new ATOM 0 HH22 ARG N 7 13.412 5.833 4.389 1.00 0.00 H new ATOM 145 N ILE N 8 15.209 -1.128 1.212 1.00 0.00 N ATOM 146 CA ILE N 8 16.002 -1.829 0.210 1.00 0.00 C ATOM 147 C ILE N 8 16.363 -0.876 -0.924 1.00 0.00 C ATOM 148 O ILE N 8 17.421 -1.000 -1.531 1.00 0.00 O ATOM 149 CB ILE N 8 15.209 -3.034 -0.327 1.00 0.00 C ATOM 150 CG1 ILE N 8 15.451 -4.256 0.575 1.00 0.00 C ATOM 151 CG2 ILE N 8 15.638 -3.358 -1.761 1.00 0.00 C ATOM 152 CD1 ILE N 8 16.758 -4.958 0.182 1.00 0.00 C ATOM 0 H ILE N 8 14.244 -1.450 1.291 1.00 0.00 H new ATOM 0 HA ILE N 8 16.924 -2.191 0.664 1.00 0.00 H new ATOM 0 HB ILE N 8 14.148 -2.785 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE N 8 15.498 -3.943 1.618 1.00 0.00 H new ATOM 0 HG13 ILE N 8 14.616 -4.952 0.488 1.00 0.00 H new ATOM 0 HG21 ILE N 8 15.068 -4.212 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE N 8 15.450 -2.496 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE N 8 16.701 -3.597 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE N 8 16.916 -5.821 0.829 1.00 0.00 H new ATOM 0 HD12 ILE N 8 16.696 -5.288 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE N 8 17.591 -4.264 0.293 1.00 0.00 H new ATOM 164 N LYS N 9 15.486 0.083 -1.197 1.00 0.00 N ATOM 165 CA LYS N 9 15.750 1.059 -2.248 1.00 0.00 C ATOM 166 C LYS N 9 16.800 2.055 -1.768 1.00 0.00 C ATOM 167 O LYS N 9 17.781 2.328 -2.459 1.00 0.00 O ATOM 168 CB LYS N 9 14.454 1.796 -2.623 1.00 0.00 C ATOM 169 CG LYS N 9 13.880 1.223 -3.924 1.00 0.00 C ATOM 170 CD LYS N 9 13.476 -0.237 -3.709 1.00 0.00 C ATOM 171 CE LYS N 9 12.545 -0.682 -4.840 1.00 0.00 C ATOM 172 NZ LYS N 9 13.208 -0.441 -6.153 1.00 0.00 N ATOM 0 H LYS N 9 14.597 0.206 -0.712 1.00 0.00 H new ATOM 0 HA LYS N 9 16.124 0.542 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS N 9 13.724 1.696 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS N 9 14.653 2.861 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS N 9 13.016 1.807 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS N 9 14.620 1.292 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS N 9 14.363 -0.871 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS N 9 12.976 -0.349 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS N 9 12.303 -1.739 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS N 9 11.605 -0.133 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS N 9 12.757 -1.029 -6.883 1.00 0.00 H new ATOM 0 HZ2 LYS N 9 13.115 0.562 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS N 9 14.216 -0.688 -6.084 1.00 0.00 H new ATOM 186 N ASP N 10 16.584 2.582 -0.569 1.00 0.00 N ATOM 187 CA ASP N 10 17.512 3.538 0.021 1.00 0.00 C ATOM 188 C ASP N 10 18.912 2.939 0.085 1.00 0.00 C ATOM 189 O ASP N 10 19.910 3.656 0.102 1.00 0.00 O ATOM 190 CB ASP N 10 17.049 3.919 1.429 1.00 0.00 C ATOM 191 CG ASP N 10 17.992 4.959 2.023 1.00 0.00 C ATOM 192 OD1 ASP N 10 17.752 6.137 1.812 1.00 0.00 O ATOM 193 OD2 ASP N 10 18.940 4.563 2.682 1.00 0.00 O ATOM 0 H ASP N 10 15.775 2.364 0.013 1.00 0.00 H new ATOM 0 HA ASP N 10 17.535 4.432 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP N 10 16.034 4.315 1.393 1.00 0.00 H new ATOM 0 HB3 ASP N 10 17.023 3.034 2.065 1.00 0.00 H new ATOM 198 N PHE N 11 18.977 1.617 0.136 1.00 0.00 N ATOM 199 CA PHE N 11 20.257 0.932 0.206 1.00 0.00 C ATOM 200 C PHE N 11 21.100 1.240 -1.037 1.00 0.00 C ATOM 201 O PHE N 11 22.264 1.623 -0.920 1.00 0.00 O ATOM 202 CB PHE N 11 20.011 -0.574 0.357 1.00 0.00 C ATOM 203 CG PHE N 11 21.207 -1.375 -0.104 1.00 0.00 C ATOM 204 CD1 PHE N 11 22.505 -0.929 0.167 1.00 0.00 C ATOM 205 CD2 PHE N 11 21.010 -2.575 -0.797 1.00 0.00 C ATOM 206 CE1 PHE N 11 23.605 -1.682 -0.256 1.00 0.00 C ATOM 207 CE2 PHE N 11 22.108 -3.328 -1.221 1.00 0.00 C ATOM 208 CZ PHE N 11 23.407 -2.882 -0.951 1.00 0.00 C ATOM 0 H PHE N 11 18.164 1.001 0.130 1.00 0.00 H new ATOM 0 HA PHE N 11 20.817 1.285 1.072 1.00 0.00 H new ATOM 0 HB2 PHE N 11 19.795 -0.807 1.400 1.00 0.00 H new ATOM 0 HB3 PHE N 11 19.133 -0.861 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE N 11 22.658 -0.004 0.703 1.00 0.00 H new ATOM 0 HD2 PHE N 11 20.008 -2.919 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE N 11 24.607 -1.338 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE N 11 21.955 -4.253 -1.757 1.00 0.00 H new ATOM 0 HZ PHE N 11 24.256 -3.463 -1.278 1.00 0.00 H new ATOM 218 N LEU N 12 20.518 1.071 -2.226 1.00 0.00 N ATOM 219 CA LEU N 12 21.245 1.336 -3.459 1.00 0.00 C ATOM 220 C LEU N 12 21.403 2.833 -3.717 1.00 0.00 C ATOM 221 O LEU N 12 22.463 3.283 -4.152 1.00 0.00 O ATOM 222 CB LEU N 12 20.512 0.707 -4.641 1.00 0.00 C ATOM 223 CG LEU N 12 20.257 -0.785 -4.394 1.00 0.00 C ATOM 224 CD1 LEU N 12 21.547 -1.473 -3.934 1.00 0.00 C ATOM 225 CD2 LEU N 12 19.170 -0.967 -3.331 1.00 0.00 C ATOM 0 H LEU N 12 19.557 0.756 -2.356 1.00 0.00 H new ATOM 0 HA LEU N 12 22.237 0.899 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU N 12 19.564 1.221 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU N 12 21.101 0.834 -5.549 1.00 0.00 H new ATOM 0 HG LEU N 12 19.923 -1.239 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU N 12 21.353 -2.532 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU N 12 22.312 -1.364 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU N 12 21.895 -1.013 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU N 12 18.998 -2.030 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU N 12 19.491 -0.501 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU N 12 18.246 -0.499 -3.671 1.00 0.00 H new ATOM 237 N ARG N 13 20.350 3.598 -3.455 1.00 0.00 N ATOM 238 CA ARG N 13 20.391 5.041 -3.671 1.00 0.00 C ATOM 239 C ARG N 13 20.317 5.749 -2.336 1.00 0.00 C ATOM 240 O ARG N 13 20.882 6.828 -2.161 1.00 0.00 O ATOM 241 CB ARG N 13 19.211 5.475 -4.545 1.00 0.00 C ATOM 242 CG ARG N 13 19.472 6.880 -5.096 1.00 0.00 C ATOM 243 CD ARG N 13 18.196 7.429 -5.749 1.00 0.00 C ATOM 244 NE ARG N 13 18.514 8.144 -6.986 1.00 0.00 N ATOM 245 CZ ARG N 13 19.554 8.972 -7.076 1.00 0.00 C ATOM 246 NH1 ARG N 13 20.286 9.232 -6.028 1.00 0.00 N ATOM 247 NH2 ARG N 13 19.828 9.547 -8.216 1.00 0.00 N ATOM 0 H ARG N 13 19.462 3.247 -3.095 1.00 0.00 H new ATOM 0 HA ARG N 13 21.321 5.301 -4.176 1.00 0.00 H new ATOM 0 HB2 ARG N 13 19.074 4.771 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG N 13 18.290 5.467 -3.961 1.00 0.00 H new ATOM 0 HG2 ARG N 13 19.793 7.542 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG N 13 20.281 6.850 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG N 13 17.510 6.610 -5.963 1.00 0.00 H new ATOM 0 HD3 ARG N 13 17.687 8.099 -5.057 1.00 0.00 H new ATOM 0 HE ARG N 13 17.921 8.004 -7.804 1.00 0.00 H new ATOM 0 HH11 ARG N 13 20.064 8.800 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG N 13 21.080 9.867 -6.106 1.00 0.00 H new ATOM 0 HH21 ARG N 13 19.247 9.362 -9.033 1.00 0.00 H new ATOM 0 HH22 ARG N 13 20.623 10.182 -8.289 1.00 0.00 H new HETATM 261 N NH2 N 14 19.663 5.178 -1.371 1.00 0.00 N TER 264 NH2 N 14