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+ -164:sc= -0.0358 (180deg=-0.318) USER MOD Single : N 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : N 6 GLN :FLIP amide:sc= -1.39 F(o=-2.8!,f=-1.4) USER MOD Single : N 9 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0281) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE N 1 5.635 1.341 -4.848 1.00 0.00 N ATOM 2 CA PHE N 1 7.007 1.859 -5.112 1.00 0.00 C ATOM 3 C PHE N 1 7.706 2.133 -3.787 1.00 0.00 C ATOM 4 O PHE N 1 8.922 1.982 -3.672 1.00 0.00 O ATOM 5 CB PHE N 1 6.910 3.147 -5.935 1.00 0.00 C ATOM 6 CG PHE N 1 8.278 3.774 -6.073 1.00 0.00 C ATOM 7 CD1 PHE N 1 9.234 3.193 -6.916 1.00 0.00 C ATOM 8 CD2 PHE N 1 8.589 4.941 -5.364 1.00 0.00 C ATOM 9 CE1 PHE N 1 10.499 3.779 -7.049 1.00 0.00 C ATOM 10 CE2 PHE N 1 9.853 5.526 -5.496 1.00 0.00 C ATOM 11 CZ PHE N 1 10.809 4.946 -6.339 1.00 0.00 C ATOM 0 H1 PHE N 1 5.257 0.903 -5.712 1.00 0.00 H new ATOM 0 H2 PHE N 1 5.672 0.632 -4.088 1.00 0.00 H new ATOM 0 H3 PHE N 1 5.017 2.126 -4.559 1.00 0.00 H new ATOM 0 HA PHE N 1 7.583 1.121 -5.671 1.00 0.00 H new ATOM 0 HB2 PHE N 1 6.499 2.929 -6.921 1.00 0.00 H new ATOM 0 HB3 PHE N 1 6.227 3.846 -5.453 1.00 0.00 H new ATOM 0 HD1 PHE N 1 8.996 2.293 -7.463 1.00 0.00 H new ATOM 0 HD2 PHE N 1 7.852 5.390 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE N 1 11.236 3.331 -7.699 1.00 0.00 H new ATOM 0 HE2 PHE N 1 10.092 6.425 -4.948 1.00 0.00 H new ATOM 0 HZ PHE N 1 11.784 5.398 -6.442 1.00 0.00 H new ATOM 23 N LYS N 2 6.932 2.534 -2.788 1.00 0.00 N ATOM 24 CA LYS N 2 7.493 2.820 -1.475 1.00 0.00 C ATOM 25 C LYS N 2 7.803 1.522 -0.740 1.00 0.00 C ATOM 26 O LYS N 2 8.708 1.470 0.092 1.00 0.00 O ATOM 27 CB LYS N 2 6.511 3.656 -0.654 1.00 0.00 C ATOM 28 CG LYS N 2 6.322 5.020 -1.321 1.00 0.00 C ATOM 29 CD LYS N 2 5.484 5.927 -0.413 1.00 0.00 C ATOM 30 CE LYS N 2 6.267 6.264 0.862 1.00 0.00 C ATOM 31 NZ LYS N 2 5.855 7.609 1.353 1.00 0.00 N ATOM 0 H LYS N 2 5.923 2.668 -2.860 1.00 0.00 H new ATOM 0 HA LYS N 2 8.417 3.382 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS N 2 5.554 3.141 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS N 2 6.886 3.784 0.361 1.00 0.00 H new ATOM 0 HG2 LYS N 2 7.292 5.479 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS N 2 5.829 4.899 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS N 2 5.223 6.844 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS N 2 4.548 5.431 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS N 2 6.079 5.511 1.628 1.00 0.00 H new ATOM 0 HE3 LYS N 2 7.338 6.251 0.659 1.00 0.00 H new ATOM 0 HZ1 LYS N 2 6.385 7.840 2.218 1.00 0.00 H new ATOM 0 HZ2 LYS N 2 6.056 8.322 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS N 2 4.836 7.605 1.562 1.00 0.00 H new ATOM 45 N ARG N 3 7.044 0.476 -1.053 1.00 0.00 N ATOM 46 CA ARG N 3 7.244 -0.821 -0.415 1.00 0.00 C ATOM 47 C ARG N 3 8.505 -1.495 -0.945 1.00 0.00 C ATOM 48 O ARG N 3 9.295 -2.040 -0.173 1.00 0.00 O ATOM 49 CB ARG N 3 6.032 -1.719 -0.669 1.00 0.00 C ATOM 50 CG ARG N 3 5.911 -2.009 -2.168 1.00 0.00 C ATOM 51 CD ARG N 3 4.486 -2.464 -2.489 1.00 0.00 C ATOM 52 NE ARG N 3 4.028 -3.430 -1.497 1.00 0.00 N ATOM 53 CZ ARG N 3 2.739 -3.725 -1.370 1.00 0.00 C ATOM 54 NH1 ARG N 3 1.858 -3.145 -2.138 1.00 0.00 N ATOM 55 NH2 ARG N 3 2.353 -4.595 -0.476 1.00 0.00 N ATOM 0 H ARG N 3 6.290 0.500 -1.740 1.00 0.00 H new ATOM 0 HA ARG N 3 7.360 -0.663 0.657 1.00 0.00 H new ATOM 0 HB2 ARG N 3 6.136 -2.652 -0.115 1.00 0.00 H new ATOM 0 HB3 ARG N 3 5.125 -1.234 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG N 3 6.157 -1.116 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG N 3 6.624 -2.781 -2.458 1.00 0.00 H new ATOM 0 HD2 ARG N 3 3.817 -1.604 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG N 3 4.455 -2.910 -3.483 1.00 0.00 H new ATOM 0 HE ARG N 3 4.709 -3.887 -0.890 1.00 0.00 H new ATOM 0 HH11 ARG N 3 2.159 -2.465 -2.836 1.00 0.00 H new ATOM 0 HH12 ARG N 3 0.868 -3.372 -2.040 1.00 0.00 H new ATOM 0 HH21 ARG N 3 3.041 -5.048 0.125 1.00 0.00 H new ATOM 0 HH22 ARG N 3 1.363 -4.821 -0.379 1.00 0.00 H new ATOM 69 N ILE N 4 8.698 -1.454 -2.261 1.00 0.00 N ATOM 70 CA ILE N 4 9.880 -2.065 -2.859 1.00 0.00 C ATOM 71 C ILE N 4 11.108 -1.215 -2.565 1.00 0.00 C ATOM 72 O ILE N 4 12.204 -1.737 -2.358 1.00 0.00 O ATOM 73 CB ILE N 4 9.694 -2.210 -4.371 1.00 0.00 C ATOM 74 CG1 ILE N 4 9.684 -0.821 -5.015 1.00 0.00 C ATOM 75 CG2 ILE N 4 8.365 -2.915 -4.654 1.00 0.00 C ATOM 76 CD1 ILE N 4 9.184 -0.921 -6.459 1.00 0.00 C ATOM 0 H ILE N 4 8.062 -1.011 -2.924 1.00 0.00 H new ATOM 0 HA ILE N 4 10.020 -3.056 -2.427 1.00 0.00 H new ATOM 0 HB ILE N 4 10.512 -2.798 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE N 4 9.042 -0.150 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE N 4 10.687 -0.395 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE N 4 8.230 -3.019 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE N 4 8.371 -3.902 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE N 4 7.546 -2.326 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE N 4 9.179 0.070 -6.912 1.00 0.00 H new ATOM 0 HD12 ILE N 4 9.843 -1.577 -7.028 1.00 0.00 H new ATOM 0 HD13 ILE N 4 8.173 -1.328 -6.467 1.00 0.00 H new ATOM 88 N VAL N 5 10.911 0.097 -2.532 1.00 0.00 N ATOM 89 CA VAL N 5 12.003 1.015 -2.243 1.00 0.00 C ATOM 90 C VAL N 5 12.441 0.851 -0.792 1.00 0.00 C ATOM 91 O VAL N 5 13.597 1.095 -0.447 1.00 0.00 O ATOM 92 CB VAL N 5 11.550 2.457 -2.493 1.00 0.00 C ATOM 93 CG1 VAL N 5 12.557 3.433 -1.877 1.00 0.00 C ATOM 94 CG2 VAL N 5 11.455 2.706 -4.002 1.00 0.00 C ATOM 0 H VAL N 5 10.011 0.546 -2.701 1.00 0.00 H new ATOM 0 HA VAL N 5 12.845 0.790 -2.898 1.00 0.00 H new ATOM 0 HB VAL N 5 10.574 2.612 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL N 5 12.229 4.457 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL N 5 12.623 3.258 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL N 5 13.536 3.280 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL N 5 11.133 3.732 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL N 5 12.432 2.547 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL N 5 10.733 2.017 -4.440 1.00 0.00 H new ATOM 104 N GLN N 6 11.504 0.427 0.051 1.00 0.00 N ATOM 105 CA GLN N 6 11.793 0.221 1.464 1.00 0.00 C ATOM 106 C GLN N 6 12.921 -0.789 1.629 1.00 0.00 C ATOM 107 O GLN N 6 13.842 -0.584 2.418 1.00 0.00 O ATOM 108 CB GLN N 6 10.540 -0.294 2.181 1.00 0.00 C ATOM 109 CG GLN N 6 10.610 0.066 3.669 1.00 0.00 C ATOM 110 CD GLN N 6 10.203 1.521 3.873 1.00 0.00 C ATOM 111 OE1 GLN N 6 10.003 2.285 2.834 1.00 0.00 O flip ATOM 112 NE2 GLN N 6 10.063 1.974 5.009 1.00 0.00 N flip ATOM 0 H GLN N 6 10.542 0.220 -0.219 1.00 0.00 H new ATOM 0 HA GLN N 6 12.098 1.172 1.901 1.00 0.00 H new ATOM 0 HB2 GLN N 6 9.648 0.143 1.733 1.00 0.00 H new ATOM 0 HB3 GLN N 6 10.460 -1.375 2.062 1.00 0.00 H new ATOM 0 HG2 GLN N 6 9.952 -0.588 4.241 1.00 0.00 H new ATOM 0 HG3 GLN N 6 11.621 -0.093 4.043 1.00 0.00 H new ATOM 0 HE21 GLN N 6 10.220 1.375 5.820 1.00 0.00 H new ATOM 0 HE22 GLN N 6 9.790 2.948 5.140 1.00 0.00 H new ATOM 121 N ARG N 7 12.838 -1.882 0.879 1.00 0.00 N ATOM 122 CA ARG N 7 13.856 -2.923 0.949 1.00 0.00 C ATOM 123 C ARG N 7 15.240 -2.343 0.683 1.00 0.00 C ATOM 124 O ARG N 7 16.176 -2.562 1.453 1.00 0.00 O ATOM 125 CB ARG N 7 13.554 -4.022 -0.072 1.00 0.00 C ATOM 126 CG ARG N 7 12.176 -4.626 0.218 1.00 0.00 C ATOM 127 CD ARG N 7 12.013 -5.943 -0.554 1.00 0.00 C ATOM 128 NE ARG N 7 10.675 -6.037 -1.142 1.00 0.00 N ATOM 129 CZ ARG N 7 9.580 -5.688 -0.468 1.00 0.00 C ATOM 130 NH1 ARG N 7 9.662 -5.316 0.780 1.00 0.00 N ATOM 131 NH2 ARG N 7 8.415 -5.743 -1.053 1.00 0.00 N ATOM 0 H ARG N 7 12.082 -2.070 0.220 1.00 0.00 H new ATOM 0 HA ARG N 7 13.842 -3.348 1.953 1.00 0.00 H new ATOM 0 HB2 ARG N 7 13.577 -3.611 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG N 7 14.319 -4.797 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG N 7 12.065 -4.805 1.288 1.00 0.00 H new ATOM 0 HG3 ARG N 7 11.393 -3.925 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG N 7 12.766 -6.005 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG N 7 12.181 -6.786 0.116 1.00 0.00 H new ATOM 0 HE ARG N 7 10.578 -6.380 -2.098 1.00 0.00 H new ATOM 0 HH11 ARG N 7 10.569 -5.291 1.246 1.00 0.00 H new ATOM 0 HH12 ARG N 7 8.819 -5.050 1.289 1.00 0.00 H new ATOM 0 HH21 ARG N 7 8.345 -6.052 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG N 7 7.574 -5.477 -0.541 1.00 0.00 H new ATOM 145 N ILE N 8 15.362 -1.604 -0.411 1.00 0.00 N ATOM 146 CA ILE N 8 16.636 -0.993 -0.774 1.00 0.00 C ATOM 147 C ILE N 8 17.061 0.027 0.272 1.00 0.00 C ATOM 148 O ILE N 8 18.229 0.099 0.629 1.00 0.00 O ATOM 149 CB ILE N 8 16.520 -0.309 -2.138 1.00 0.00 C ATOM 150 CG1 ILE N 8 15.922 -1.287 -3.158 1.00 0.00 C ATOM 151 CG2 ILE N 8 17.905 0.139 -2.608 1.00 0.00 C ATOM 152 CD1 ILE N 8 16.726 -2.592 -3.168 1.00 0.00 C ATOM 0 H ILE N 8 14.599 -1.413 -1.061 1.00 0.00 H new ATOM 0 HA ILE N 8 17.390 -1.779 -0.825 1.00 0.00 H new ATOM 0 HB ILE N 8 15.870 0.561 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE N 8 14.881 -1.494 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE N 8 15.929 -0.838 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE N 8 17.820 0.626 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE N 8 18.325 0.840 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE N 8 18.559 -0.729 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE N 8 16.294 -3.280 -3.895 1.00 0.00 H new ATOM 0 HD12 ILE N 8 17.760 -2.380 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE N 8 16.696 -3.045 -2.177 1.00 0.00 H new ATOM 164 N LYS N 9 16.111 0.809 0.765 1.00 0.00 N ATOM 165 CA LYS N 9 16.421 1.811 1.777 1.00 0.00 C ATOM 166 C LYS N 9 16.674 1.129 3.119 1.00 0.00 C ATOM 167 O LYS N 9 17.543 1.545 3.886 1.00 0.00 O ATOM 168 CB LYS N 9 15.264 2.816 1.884 1.00 0.00 C ATOM 169 CG LYS N 9 15.328 3.570 3.223 1.00 0.00 C ATOM 170 CD LYS N 9 14.442 2.868 4.263 1.00 0.00 C ATOM 171 CE LYS N 9 13.033 3.468 4.232 1.00 0.00 C ATOM 172 NZ LYS N 9 13.025 4.759 4.977 1.00 0.00 N ATOM 0 H LYS N 9 15.131 0.771 0.486 1.00 0.00 H new ATOM 0 HA LYS N 9 17.323 2.352 1.490 1.00 0.00 H new ATOM 0 HB2 LYS N 9 15.313 3.525 1.058 1.00 0.00 H new ATOM 0 HB3 LYS N 9 14.311 2.293 1.799 1.00 0.00 H new ATOM 0 HG2 LYS N 9 16.358 3.611 3.578 1.00 0.00 H new ATOM 0 HG3 LYS N 9 14.997 4.600 3.086 1.00 0.00 H new ATOM 0 HD2 LYS N 9 14.397 1.799 4.054 1.00 0.00 H new ATOM 0 HD3 LYS N 9 14.874 2.981 5.258 1.00 0.00 H new ATOM 0 HE2 LYS N 9 12.718 3.629 3.201 1.00 0.00 H new ATOM 0 HE3 LYS N 9 12.321 2.774 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS N 9 12.273 5.372 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS N 9 12.852 4.576 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS N 9 13.945 5.231 4.864 1.00 0.00 H new ATOM 186 N ASP N 10 15.919 0.070 3.380 1.00 0.00 N ATOM 187 CA ASP N 10 16.071 -0.686 4.617 1.00 0.00 C ATOM 188 C ASP N 10 17.440 -1.351 4.652 1.00 0.00 C ATOM 189 O ASP N 10 17.965 -1.668 5.716 1.00 0.00 O ATOM 190 CB ASP N 10 14.977 -1.750 4.720 1.00 0.00 C ATOM 191 CG ASP N 10 15.146 -2.548 6.008 1.00 0.00 C ATOM 192 OD1 ASP N 10 16.134 -3.255 6.118 1.00 0.00 O ATOM 193 OD2 ASP N 10 14.284 -2.441 6.866 1.00 0.00 O ATOM 0 H ASP N 10 15.197 -0.285 2.753 1.00 0.00 H new ATOM 0 HA ASP N 10 15.982 -0.002 5.461 1.00 0.00 H new ATOM 0 HB2 ASP N 10 13.995 -1.277 4.702 1.00 0.00 H new ATOM 0 HB3 ASP N 10 15.025 -2.418 3.860 1.00 0.00 H new ATOM 198 N PHE N 11 17.999 -1.582 3.474 1.00 0.00 N ATOM 199 CA PHE N 11 19.299 -2.226 3.363 1.00 0.00 C ATOM 200 C PHE N 11 20.411 -1.332 3.936 1.00 0.00 C ATOM 201 O PHE N 11 21.186 -1.775 4.784 1.00 0.00 O ATOM 202 CB PHE N 11 19.555 -2.565 1.888 1.00 0.00 C ATOM 203 CG PHE N 11 21.030 -2.718 1.605 1.00 0.00 C ATOM 204 CD1 PHE N 11 21.872 -3.326 2.542 1.00 0.00 C ATOM 205 CD2 PHE N 11 21.551 -2.256 0.391 1.00 0.00 C ATOM 206 CE1 PHE N 11 23.236 -3.468 2.265 1.00 0.00 C ATOM 207 CE2 PHE N 11 22.912 -2.398 0.113 1.00 0.00 C ATOM 208 CZ PHE N 11 23.757 -3.005 1.050 1.00 0.00 C ATOM 0 H PHE N 11 17.573 -1.333 2.581 1.00 0.00 H new ATOM 0 HA PHE N 11 19.303 -3.145 3.949 1.00 0.00 H new ATOM 0 HB2 PHE N 11 19.036 -3.488 1.630 1.00 0.00 H new ATOM 0 HB3 PHE N 11 19.141 -1.779 1.256 1.00 0.00 H new ATOM 0 HD1 PHE N 11 21.470 -3.685 3.478 1.00 0.00 H new ATOM 0 HD2 PHE N 11 20.899 -1.789 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE N 11 23.888 -3.935 2.989 1.00 0.00 H new ATOM 0 HE2 PHE N 11 23.313 -2.040 -0.824 1.00 0.00 H new ATOM 0 HZ PHE N 11 24.810 -3.116 0.836 1.00 0.00 H new ATOM 218 N LEU N 12 20.495 -0.082 3.476 1.00 0.00 N ATOM 219 CA LEU N 12 21.524 0.830 3.963 1.00 0.00 C ATOM 220 C LEU N 12 21.234 1.315 5.381 1.00 0.00 C ATOM 221 O LEU N 12 22.156 1.582 6.152 1.00 0.00 O ATOM 222 CB LEU N 12 21.611 2.052 3.053 1.00 0.00 C ATOM 223 CG LEU N 12 21.807 1.637 1.592 1.00 0.00 C ATOM 224 CD1 LEU N 12 22.939 0.612 1.479 1.00 0.00 C ATOM 225 CD2 LEU N 12 20.512 1.043 1.034 1.00 0.00 C ATOM 0 H LEU N 12 19.870 0.316 2.775 1.00 0.00 H new ATOM 0 HA LEU N 12 22.463 0.277 3.964 1.00 0.00 H new ATOM 0 HB2 LEU N 12 20.701 2.645 3.147 1.00 0.00 H new ATOM 0 HB3 LEU N 12 22.439 2.686 3.369 1.00 0.00 H new ATOM 0 HG LEU N 12 22.071 2.521 1.012 1.00 0.00 H new ATOM 0 HD11 LEU N 12 23.068 0.326 0.435 1.00 0.00 H new ATOM 0 HD12 LEU N 12 23.865 1.050 1.852 1.00 0.00 H new ATOM 0 HD13 LEU N 12 22.691 -0.270 2.069 1.00 0.00 H new ATOM 0 HD21 LEU N 12 20.664 0.752 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU N 12 20.232 0.167 1.619 1.00 0.00 H new ATOM 0 HD23 LEU N 12 19.717 1.786 1.090 1.00 0.00 H new ATOM 237 N ARG N 13 19.955 1.445 5.717 1.00 0.00 N ATOM 238 CA ARG N 13 19.563 1.920 7.042 1.00 0.00 C ATOM 239 C ARG N 13 18.710 0.875 7.734 1.00 0.00 C ATOM 240 O ARG N 13 18.123 1.135 8.784 1.00 0.00 O ATOM 241 CB ARG N 13 18.772 3.229 6.913 1.00 0.00 C ATOM 242 CG ARG N 13 18.879 4.037 8.213 1.00 0.00 C ATOM 243 CD ARG N 13 20.128 4.922 8.172 1.00 0.00 C ATOM 244 NE ARG N 13 19.972 5.970 7.170 1.00 0.00 N ATOM 245 CZ ARG N 13 20.768 7.035 7.160 1.00 0.00 C ATOM 246 NH1 ARG N 13 21.710 7.153 8.056 1.00 0.00 N ATOM 247 NH2 ARG N 13 20.608 7.961 6.255 1.00 0.00 N ATOM 0 H ARG N 13 19.175 1.230 5.096 1.00 0.00 H new ATOM 0 HA ARG N 13 20.460 2.099 7.634 1.00 0.00 H new ATOM 0 HB2 ARG N 13 19.156 3.815 6.078 1.00 0.00 H new ATOM 0 HB3 ARG N 13 17.726 3.012 6.695 1.00 0.00 H new ATOM 0 HG2 ARG N 13 17.989 4.653 8.343 1.00 0.00 H new ATOM 0 HG3 ARG N 13 18.928 3.363 9.068 1.00 0.00 H new ATOM 0 HD2 ARG N 13 20.298 5.368 9.152 1.00 0.00 H new ATOM 0 HD3 ARG N 13 21.004 4.316 7.941 1.00 0.00 H new ATOM 0 HE ARG N 13 19.240 5.885 6.465 1.00 0.00 H new ATOM 0 HH11 ARG N 13 21.835 6.429 8.763 1.00 0.00 H new ATOM 0 HH12 ARG N 13 22.321 7.970 8.049 1.00 0.00 H new ATOM 0 HH21 ARG N 13 19.872 7.868 5.555 1.00 0.00 H new ATOM 0 HH22 ARG N 13 21.219 8.778 6.248 1.00 0.00 H new HETATM 261 N NH2 N 14 18.597 -0.297 7.188 1.00 0.00 N TER 264 NH2 N 14