USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 142 hydrogens (7 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 8 DPR H : A 8 DPR N : A 7 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.050 1.248 -0.382 1.00 0.00 N ATOM 2 CA GLY A 1 -10.811 2.680 -0.528 1.00 0.00 C ATOM 3 C GLY A 1 -10.052 2.977 -1.817 1.00 0.00 C ATOM 4 O GLY A 1 -10.369 2.433 -2.875 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.568 1.071 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.762 3.213 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.242 3.047 0.326 1.00 0.00 H new ATOM 8 N SER A 2 -9.048 3.843 -1.720 1.00 0.00 N ATOM 9 CA SER A 2 -8.251 4.205 -2.886 1.00 0.00 C ATOM 10 C SER A 2 -6.959 4.895 -2.460 1.00 0.00 C ATOM 11 O SER A 2 -6.848 6.119 -2.526 1.00 0.00 O ATOM 12 CB SER A 2 -9.052 5.135 -3.797 1.00 0.00 C ATOM 13 OG SER A 2 -9.886 5.966 -3.002 1.00 0.00 O ATOM 0 H SER A 2 -8.769 4.303 -0.854 1.00 0.00 H new ATOM 0 HA SER A 2 -8.000 3.293 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.377 5.745 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.656 4.551 -4.491 1.00 0.00 H new ATOM 0 HG SER A 2 -10.400 6.565 -3.583 1.00 0.00 H new ATOM 19 N ARG A 3 -5.986 4.102 -2.024 1.00 0.00 N ATOM 20 CA ARG A 3 -4.705 4.647 -1.590 1.00 0.00 C ATOM 21 C ARG A 3 -3.708 3.524 -1.322 1.00 0.00 C ATOM 22 O ARG A 3 -3.985 2.607 -0.550 1.00 0.00 O ATOM 23 CB ARG A 3 -4.897 5.476 -0.318 1.00 0.00 C ATOM 24 CG ARG A 3 -3.649 6.325 -0.068 1.00 0.00 C ATOM 25 CD ARG A 3 -3.280 6.263 1.415 1.00 0.00 C ATOM 26 NE ARG A 3 -2.999 4.887 1.805 1.00 0.00 N ATOM 27 CZ ARG A 3 -3.085 4.500 3.074 1.00 0.00 C ATOM 28 NH1 ARG A 3 -2.834 3.262 3.396 1.00 0.00 N ATOM 29 NH2 ARG A 3 -3.422 5.359 3.996 1.00 0.00 N ATOM 0 H ARG A 3 -6.059 3.086 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.313 5.283 -2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.772 6.118 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.079 4.819 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.821 5.961 -0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.833 7.357 -0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.408 6.889 1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.097 6.660 2.018 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.732 4.209 1.092 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.572 2.590 2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.900 2.965 4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.619 6.327 3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.488 5.062 4.970 1.00 0.00 H new ATOM 43 N GLY A 4 -2.548 3.602 -1.966 1.00 0.00 N ATOM 44 CA GLY A 4 -1.518 2.585 -1.789 1.00 0.00 C ATOM 45 C GLY A 4 -0.143 3.127 -2.164 1.00 0.00 C ATOM 46 O GLY A 4 -0.014 4.267 -2.611 1.00 0.00 O ATOM 0 H GLY A 4 -2.299 4.353 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.509 2.248 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.750 1.716 -2.405 1.00 0.00 H new ATOM 50 N PHE A 5 0.880 2.301 -1.977 1.00 0.00 N ATOM 51 CA PHE A 5 2.246 2.698 -2.295 1.00 0.00 C ATOM 52 C PHE A 5 3.188 1.507 -2.144 1.00 0.00 C ATOM 53 O PHE A 5 2.828 0.496 -1.542 1.00 0.00 O ATOM 54 CB PHE A 5 2.692 3.826 -1.361 1.00 0.00 C ATOM 55 CG PHE A 5 4.044 4.342 -1.798 1.00 0.00 C ATOM 56 CD1 PHE A 5 4.167 5.050 -3.001 1.00 0.00 C ATOM 57 CD2 PHE A 5 5.174 4.114 -1.002 1.00 0.00 C ATOM 58 CE1 PHE A 5 5.419 5.528 -3.407 1.00 0.00 C ATOM 59 CE2 PHE A 5 6.426 4.592 -1.409 1.00 0.00 C ATOM 60 CZ PHE A 5 6.548 5.299 -2.611 1.00 0.00 C ATOM 0 H PHE A 5 0.790 1.355 -1.608 1.00 0.00 H new ATOM 0 HA PHE A 5 2.278 3.049 -3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.961 4.634 -1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.745 3.463 -0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.296 5.227 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.080 3.569 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.514 6.073 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.297 4.415 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.513 5.668 -2.925 1.00 0.00 H new ATOM 70 N ARG A 6 4.393 1.636 -2.693 1.00 0.00 N ATOM 71 CA ARG A 6 5.385 0.567 -2.614 1.00 0.00 C ATOM 72 C ARG A 6 6.635 1.071 -1.900 1.00 0.00 C ATOM 73 O ARG A 6 7.202 2.098 -2.275 1.00 0.00 O ATOM 74 CB ARG A 6 5.755 0.090 -4.031 1.00 0.00 C ATOM 75 CG ARG A 6 5.953 -1.433 -4.060 1.00 0.00 C ATOM 76 CD ARG A 6 6.062 -1.900 -5.512 1.00 0.00 C ATOM 77 NE ARG A 6 4.787 -1.718 -6.198 1.00 0.00 N ATOM 78 CZ ARG A 6 3.740 -2.488 -5.920 1.00 0.00 C ATOM 79 NH1 ARG A 6 2.611 -2.307 -6.550 1.00 0.00 N ATOM 80 NH2 ARG A 6 3.840 -3.426 -5.018 1.00 0.00 N ATOM 0 H ARG A 6 4.706 2.467 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 6 4.963 -0.267 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.969 0.372 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.668 0.586 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.854 -1.705 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.117 -1.930 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.842 -1.338 -6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.353 -2.950 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 6 4.698 -0.987 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.532 -1.575 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.807 -2.898 -6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.722 -3.568 -4.526 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.036 -4.017 -4.805 1.00 0.00 H new ATOM 94 N PHE A 7 7.054 0.347 -0.865 1.00 0.00 N ATOM 95 CA PHE A 7 8.235 0.734 -0.101 1.00 0.00 C ATOM 96 C PHE A 7 9.139 -0.481 0.142 1.00 0.00 C ATOM 97 O PHE A 7 9.211 -1.021 1.246 1.00 0.00 O ATOM 98 CB PHE A 7 7.795 1.373 1.228 1.00 0.00 C ATOM 99 CG PHE A 7 8.492 2.707 1.408 1.00 0.00 C ATOM 100 CD1 PHE A 7 9.885 2.805 1.263 1.00 0.00 C ATOM 101 CD2 PHE A 7 7.741 3.850 1.720 1.00 0.00 C ATOM 102 CE1 PHE A 7 10.522 4.041 1.431 1.00 0.00 C ATOM 103 CE2 PHE A 7 8.381 5.085 1.887 1.00 0.00 C ATOM 104 CZ PHE A 7 9.770 5.180 1.742 1.00 0.00 C ATOM 0 H PHE A 7 6.597 -0.504 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 7 8.811 1.465 -0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.714 1.513 1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.037 0.710 2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.466 1.927 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.669 3.778 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.594 4.115 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 7 7.802 5.964 2.128 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.262 6.133 1.870 1.00 0.00 H new HETATM 114 N DPR A 8 9.823 -0.919 -0.881 1.00 0.00 N HETATM 115 CA DPR A 8 10.742 -2.086 -0.807 1.00 0.00 C HETATM 116 CB DPR A 8 10.754 -2.590 -2.249 1.00 0.00 C HETATM 117 CG DPR A 8 10.554 -1.371 -3.093 1.00 0.00 C HETATM 118 CD DPR A 8 9.793 -0.349 -2.238 1.00 0.00 C HETATM 119 C DPR A 8 10.237 -3.175 0.149 1.00 0.00 C HETATM 120 O DPR A 8 9.380 -3.976 -0.224 1.00 0.00 O HETATM 0 HG3 DPR A 8 11.513 -0.965 -3.416 1.00 0.00 H new HETATM 0 HG2 DPR A 8 9.991 -1.615 -3.994 1.00 0.00 H new HETATM 0 HD3 DPR A 8 8.771 -0.217 -2.592 1.00 0.00 H new HETATM 0 HD2 DPR A 8 10.270 0.630 -2.269 1.00 0.00 H new HETATM 0 HB3 DPR A 8 11.697 -3.082 -2.486 1.00 0.00 H new HETATM 0 HB2 DPR A 8 9.962 -3.320 -2.418 1.00 0.00 H new HETATM 0 HA DPR A 8 11.725 -1.819 -0.419 1.00 0.00 H new ATOM 128 N PRO A 9 10.742 -3.230 1.364 1.00 0.00 N ATOM 129 CA PRO A 9 10.314 -4.259 2.360 1.00 0.00 C ATOM 130 C PRO A 9 8.912 -3.999 2.907 1.00 0.00 C ATOM 131 O PRO A 9 8.495 -4.621 3.884 1.00 0.00 O ATOM 132 CB PRO A 9 11.357 -4.142 3.473 1.00 0.00 C ATOM 133 CG PRO A 9 11.855 -2.739 3.395 1.00 0.00 C ATOM 134 CD PRO A 9 11.771 -2.332 1.925 1.00 0.00 C ATOM 0 HA PRO A 9 10.261 -5.252 1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.917 -4.350 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.168 -4.856 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.251 -2.078 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.880 -2.670 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.489 -1.285 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.729 -2.458 1.421 1.00 0.00 H new ATOM 142 N LYS A 10 8.189 -3.080 2.277 1.00 0.00 N ATOM 143 CA LYS A 10 6.838 -2.756 2.722 1.00 0.00 C ATOM 144 C LYS A 10 6.068 -2.044 1.619 1.00 0.00 C ATOM 145 O LYS A 10 6.653 -1.360 0.784 1.00 0.00 O ATOM 146 CB LYS A 10 6.906 -1.886 3.988 1.00 0.00 C ATOM 147 CG LYS A 10 5.747 -0.880 4.034 1.00 0.00 C ATOM 148 CD LYS A 10 5.700 -0.231 5.419 1.00 0.00 C ATOM 149 CE LYS A 10 4.489 -0.759 6.190 1.00 0.00 C ATOM 150 NZ LYS A 10 4.541 -0.264 7.594 1.00 0.00 N ATOM 0 H LYS A 10 8.510 -2.551 1.466 1.00 0.00 H new ATOM 0 HA LYS A 10 6.309 -3.680 2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.873 -2.523 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.856 -1.352 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.880 -0.118 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.804 -1.384 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.617 -0.451 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.638 0.853 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.567 -0.429 5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.483 -1.849 6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.718 -0.622 8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.414 -0.599 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.527 0.776 7.596 1.00 0.00 H new ATOM 164 N ILE A 11 4.751 -2.209 1.632 1.00 0.00 N ATOM 165 CA ILE A 11 3.896 -1.577 0.634 1.00 0.00 C ATOM 166 C ILE A 11 2.553 -1.196 1.251 1.00 0.00 C ATOM 167 O ILE A 11 2.047 -1.884 2.137 1.00 0.00 O ATOM 168 CB ILE A 11 3.690 -2.513 -0.567 1.00 0.00 C ATOM 169 CG1 ILE A 11 2.704 -3.629 -0.204 1.00 0.00 C ATOM 170 CG2 ILE A 11 5.028 -3.137 -0.976 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.306 -3.269 -0.717 1.00 0.00 C ATOM 0 H ILE A 11 4.253 -2.773 2.320 1.00 0.00 H new ATOM 0 HA ILE A 11 4.386 -0.669 0.282 1.00 0.00 H new ATOM 0 HB ILE A 11 3.288 -1.932 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.031 -4.573 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.680 -3.770 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.875 -3.800 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.728 -2.348 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.434 -3.708 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.607 -4.064 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.980 -2.335 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.335 -3.151 -1.800 1.00 0.00 H new ATOM 183 N ILE A 12 1.985 -0.092 0.777 1.00 0.00 N ATOM 184 CA ILE A 12 0.701 0.377 1.286 1.00 0.00 C ATOM 185 C ILE A 12 -0.416 0.046 0.301 1.00 0.00 C ATOM 186 O ILE A 12 -0.279 0.263 -0.902 1.00 0.00 O ATOM 187 CB ILE A 12 0.750 1.892 1.508 1.00 0.00 C ATOM 188 CG1 ILE A 12 2.011 2.263 2.299 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.492 2.338 2.283 1.00 0.00 C ATOM 190 CD1 ILE A 12 2.114 1.402 3.562 1.00 0.00 C ATOM 0 H ILE A 12 2.391 0.492 0.045 1.00 0.00 H new ATOM 0 HA ILE A 12 0.500 -0.125 2.233 1.00 0.00 H new ATOM 0 HB ILE A 12 0.774 2.394 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.895 2.118 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.982 3.318 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.455 3.416 2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.386 2.084 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.520 1.832 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.013 1.674 4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.238 1.569 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.165 0.350 3.282 1.00 0.00 H new ATOM 202 N ARG A 13 -1.520 -0.482 0.821 1.00 0.00 N ATOM 203 CA ARG A 13 -2.655 -0.839 -0.022 1.00 0.00 C ATOM 204 C ARG A 13 -3.742 -1.518 0.805 1.00 0.00 C ATOM 205 O ARG A 13 -3.450 -2.283 1.724 1.00 0.00 O ATOM 206 CB ARG A 13 -2.197 -1.777 -1.144 1.00 0.00 C ATOM 207 CG ARG A 13 -3.386 -2.596 -1.652 1.00 0.00 C ATOM 208 CD ARG A 13 -3.068 -3.143 -3.045 1.00 0.00 C ATOM 209 NE ARG A 13 -4.194 -3.917 -3.554 1.00 0.00 N ATOM 210 CZ ARG A 13 -4.379 -4.086 -4.859 1.00 0.00 C ATOM 211 NH1 ARG A 13 -5.392 -4.786 -5.290 1.00 0.00 N ATOM 212 NH2 ARG A 13 -3.546 -3.551 -5.711 1.00 0.00 N ATOM 0 H ARG A 13 -1.652 -0.671 1.815 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.064 0.073 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.766 -1.198 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.415 -2.442 -0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.596 -3.417 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.281 -1.975 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.847 -2.320 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.177 -3.769 -3.002 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.852 -4.336 -2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.043 -5.204 -4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.533 -4.915 -6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.754 -3.004 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.688 -3.681 -6.713 1.00 0.00 H new ATOM 226 N ASN A 14 -4.996 -1.231 0.472 1.00 0.00 N ATOM 227 CA ASN A 14 -6.121 -1.819 1.189 1.00 0.00 C ATOM 228 C ASN A 14 -7.313 -2.002 0.255 1.00 0.00 C ATOM 229 O ASN A 14 -7.655 -1.103 -0.513 1.00 0.00 O ATOM 230 CB ASN A 14 -6.522 -0.922 2.362 1.00 0.00 C ATOM 231 CG ASN A 14 -5.581 0.275 2.450 1.00 0.00 C ATOM 232 OD1 ASN A 14 -4.573 0.222 3.155 1.00 0.00 O ATOM 233 ND2 ASN A 14 -5.851 1.357 1.774 1.00 0.00 N ATOM 0 H ASN A 14 -5.258 -0.599 -0.285 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.816 -2.795 1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.549 -0.579 2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.489 -1.490 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.227 2.162 1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.687 1.399 1.191 1.00 0.00 H new ATOM 240 N GLU A 15 -7.941 -3.170 0.327 1.00 0.00 N ATOM 241 CA GLU A 15 -9.093 -3.459 -0.518 1.00 0.00 C ATOM 242 C GLU A 15 -10.355 -2.830 0.064 1.00 0.00 C ATOM 243 O GLU A 15 -11.349 -3.516 0.305 1.00 0.00 O ATOM 244 CB GLU A 15 -9.281 -4.973 -0.643 1.00 0.00 C ATOM 245 CG GLU A 15 -8.287 -5.529 -1.665 1.00 0.00 C ATOM 246 CD GLU A 15 -8.961 -5.668 -3.026 1.00 0.00 C ATOM 247 OE1 GLU A 15 -9.111 -6.792 -3.478 1.00 0.00 O ATOM 248 OE2 GLU A 15 -9.316 -4.650 -3.596 1.00 0.00 O ATOM 0 H GLU A 15 -7.674 -3.927 0.957 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.914 -3.034 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.128 -5.450 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.301 -5.199 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.425 -4.867 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.916 -6.499 -1.333 1.00 0.00 H new ATOM 255 N ARG A 16 -10.309 -1.521 0.286 1.00 0.00 N ATOM 256 CA ARG A 16 -11.454 -0.808 0.840 1.00 0.00 C ATOM 257 C ARG A 16 -11.210 0.698 0.817 1.00 0.00 C ATOM 258 O ARG A 16 -11.168 1.345 1.863 1.00 0.00 O ATOM 259 CB ARG A 16 -11.709 -1.265 2.278 1.00 0.00 C ATOM 260 CG ARG A 16 -13.085 -0.777 2.734 1.00 0.00 C ATOM 261 CD ARG A 16 -13.391 -1.338 4.123 1.00 0.00 C ATOM 262 NE ARG A 16 -13.334 -2.795 4.104 1.00 0.00 N ATOM 263 CZ ARG A 16 -14.278 -3.513 3.504 1.00 0.00 C ATOM 264 NH1 ARG A 16 -14.207 -4.816 3.503 1.00 0.00 N ATOM 265 NH2 ARG A 16 -15.277 -2.914 2.916 1.00 0.00 N ATOM 0 H ARG A 16 -9.497 -0.935 0.092 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.328 -1.032 0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.659 -2.352 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.935 -0.872 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.107 0.313 2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.849 -1.096 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.674 -0.949 4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.379 -1.010 4.446 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.556 -3.272 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.426 -5.285 3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.932 -5.366 3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.333 -1.896 2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.002 -3.464 2.455 1.00 0.00 H new TER 279 ARG A 16