USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=2 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 H2 : 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+ -155:sc= -0.353 (180deg=-0.751) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -9.48! C(o=-9.5!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.086 6.223 -3.433 1.00 0.00 N ATOM 2 CA GLY A 1 -7.007 7.185 -3.246 1.00 0.00 C ATOM 3 C GLY A 1 -6.479 7.133 -1.816 1.00 0.00 C ATOM 4 O GLY A 1 -5.625 7.931 -1.430 1.00 0.00 O ATOM 0 H3 GLY A 1 -8.147 5.960 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.198 6.972 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.366 8.190 -3.470 1.00 0.00 H new ATOM 8 N SER A 2 -6.995 6.188 -1.038 1.00 0.00 N ATOM 9 CA SER A 2 -6.057 5.843 0.463 1.00 0.00 C ATOM 10 C SER A 2 -5.066 5.810 0.427 1.00 0.00 C ATOM 11 O SER A 2 -4.280 6.687 0.068 1.00 0.00 O ATOM 12 CB SER A 2 -7.304 4.853 0.986 1.00 0.00 C ATOM 13 OG SER A 2 -8.707 5.045 0.856 1.00 0.00 O ATOM 0 H SER A 2 -7.847 5.650 -1.198 1.00 0.00 H new ATOM 0 HA SER A 2 -5.673 6.469 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.109 3.887 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.136 4.731 2.056 1.00 0.00 H new ATOM 0 HG SER A 2 -9.180 4.289 1.262 1.00 0.00 H new ATOM 19 N ARG A 3 -4.676 4.628 0.891 1.00 0.00 N ATOM 20 CA ARG A 3 -3.259 4.286 1.008 1.00 0.00 C ATOM 21 C ARG A 3 -2.948 3.047 0.173 1.00 0.00 C ATOM 22 O ARG A 3 -3.548 1.990 0.366 1.00 0.00 O ATOM 23 CB ARG A 3 -2.883 4.022 2.472 1.00 0.00 C ATOM 24 CG ARG A 3 -3.798 4.814 3.416 1.00 0.00 C ATOM 25 CD ARG A 3 -5.036 3.978 3.747 1.00 0.00 C ATOM 26 NE ARG A 3 -4.745 3.055 4.838 1.00 0.00 N ATOM 27 CZ ARG A 3 -4.636 3.486 6.091 1.00 0.00 C ATOM 28 NH1 ARG A 3 -4.374 2.641 7.051 1.00 0.00 N ATOM 29 NH2 ARG A 3 -4.791 4.753 6.362 1.00 0.00 N ATOM 0 H ARG A 3 -5.316 3.892 1.191 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.674 5.129 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.964 2.957 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.844 4.304 2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.262 5.068 4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.095 5.753 2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.862 4.633 4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.354 3.421 2.865 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.623 2.063 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.253 1.651 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.290 2.971 8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.996 5.414 5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.707 5.083 7.324 1.00 0.00 H new ATOM 43 N GLY A 4 -2.008 3.191 -0.755 1.00 0.00 N ATOM 44 CA GLY A 4 -1.620 2.083 -1.624 1.00 0.00 C ATOM 45 C GLY A 4 -0.408 2.461 -2.467 1.00 0.00 C ATOM 46 O GLY A 4 -0.461 3.414 -3.242 1.00 0.00 O ATOM 0 H GLY A 4 -1.502 4.060 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.391 1.204 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.453 1.815 -2.274 1.00 0.00 H new ATOM 50 N PHE A 5 0.677 1.706 -2.313 1.00 0.00 N ATOM 51 CA PHE A 5 1.903 1.969 -3.066 1.00 0.00 C ATOM 52 C PHE A 5 3.065 1.156 -2.504 1.00 0.00 C ATOM 53 O PHE A 5 3.380 1.248 -1.317 1.00 0.00 O ATOM 54 CB PHE A 5 2.255 3.459 -3.004 1.00 0.00 C ATOM 55 CG PHE A 5 3.738 3.641 -3.224 1.00 0.00 C ATOM 56 CD1 PHE A 5 4.270 3.538 -4.514 1.00 0.00 C ATOM 57 CD2 PHE A 5 4.580 3.920 -2.139 1.00 0.00 C ATOM 58 CE1 PHE A 5 5.643 3.714 -4.722 1.00 0.00 C ATOM 59 CE2 PHE A 5 5.954 4.093 -2.348 1.00 0.00 C ATOM 60 CZ PHE A 5 6.485 3.991 -3.639 1.00 0.00 C ATOM 0 H PHE A 5 0.734 0.911 -1.677 1.00 0.00 H new ATOM 0 HA PHE A 5 1.731 1.678 -4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.695 4.007 -3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.968 3.870 -2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.621 3.323 -5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.170 4.001 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.053 3.636 -5.718 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.604 4.305 -1.512 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.544 4.126 -3.799 1.00 0.00 H new ATOM 70 N ARG A 6 3.704 0.368 -3.362 1.00 0.00 N ATOM 71 CA ARG A 6 4.838 -0.446 -2.937 1.00 0.00 C ATOM 72 C ARG A 6 5.901 0.441 -2.298 1.00 0.00 C ATOM 73 O ARG A 6 6.193 1.524 -2.803 1.00 0.00 O ATOM 74 CB ARG A 6 5.437 -1.173 -4.150 1.00 0.00 C ATOM 75 CG ARG A 6 5.487 -2.684 -3.896 1.00 0.00 C ATOM 76 CD ARG A 6 4.077 -3.269 -3.995 1.00 0.00 C ATOM 77 NE ARG A 6 3.826 -3.755 -5.347 1.00 0.00 N ATOM 78 CZ ARG A 6 2.593 -4.018 -5.767 1.00 0.00 C ATOM 79 NH1 ARG A 6 2.395 -4.450 -6.981 1.00 0.00 N ATOM 80 NH2 ARG A 6 1.581 -3.845 -4.961 1.00 0.00 N ATOM 0 H ARG A 6 3.459 0.275 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 6 4.496 -1.180 -2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.839 -0.967 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.441 -0.798 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.142 -3.164 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.906 -2.883 -2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.963 -4.084 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.341 -2.509 -3.732 1.00 0.00 H new ATOM 0 HE ARG A 6 4.612 -3.896 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.187 -4.586 -7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.448 -4.652 -7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.737 -3.509 -4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.634 -4.046 -5.281 1.00 0.00 H new ATOM 94 N PHE A 7 6.474 -0.015 -1.186 1.00 0.00 N ATOM 95 CA PHE A 7 7.499 0.764 -0.497 1.00 0.00 C ATOM 96 C PHE A 7 8.661 -0.133 -0.056 1.00 0.00 C ATOM 97 O PHE A 7 8.849 -0.406 1.129 1.00 0.00 O ATOM 98 CB PHE A 7 6.870 1.479 0.709 1.00 0.00 C ATOM 99 CG PHE A 7 7.427 2.881 0.819 1.00 0.00 C ATOM 100 CD1 PHE A 7 8.804 3.110 0.670 1.00 0.00 C ATOM 101 CD2 PHE A 7 6.564 3.955 1.071 1.00 0.00 C ATOM 102 CE1 PHE A 7 9.311 4.412 0.774 1.00 0.00 C ATOM 103 CE2 PHE A 7 7.073 5.255 1.174 1.00 0.00 C ATOM 104 CZ PHE A 7 8.446 5.483 1.026 1.00 0.00 C ATOM 0 H PHE A 7 6.249 -0.908 -0.748 1.00 0.00 H new ATOM 0 HA PHE A 7 7.902 1.510 -1.182 1.00 0.00 H new ATOM 0 HB2 PHE A 7 5.786 1.516 0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.078 0.922 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.472 2.284 0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.504 3.780 1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.370 4.589 0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.406 6.082 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.838 6.486 1.106 1.00 0.00 H new HETATM 114 N DPR A 8 9.442 -0.589 -1.000 1.00 0.00 N HETATM 115 CA DPR A 8 10.615 -1.465 -0.737 1.00 0.00 C HETATM 116 CB DPR A 8 10.742 -2.244 -2.043 1.00 0.00 C HETATM 117 CG DPR A 8 10.258 -1.309 -3.107 1.00 0.00 C HETATM 118 CD DPR A 8 9.291 -0.322 -2.437 1.00 0.00 C HETATM 119 C DPR A 8 10.388 -2.413 0.447 1.00 0.00 C HETATM 120 O DPR A 8 9.760 -3.460 0.291 1.00 0.00 O HETATM 0 HG3 DPR A 8 11.094 -0.779 -3.563 1.00 0.00 H new HETATM 0 HG2 DPR A 8 9.756 -1.859 -3.903 1.00 0.00 H new HETATM 0 HD3 DPR A 8 8.265 -0.484 -2.767 1.00 0.00 H new HETATM 0 HD2 DPR A 8 9.544 0.710 -2.679 1.00 0.00 H new HETATM 0 HB3 DPR A 8 11.774 -2.545 -2.223 1.00 0.00 H new HETATM 0 HB2 DPR A 8 10.144 -3.155 -2.018 1.00 0.00 H new HETATM 0 HA DPR A 8 11.507 -0.901 -0.465 1.00 0.00 H new ATOM 128 N PRO A 9 10.879 -2.078 1.620 1.00 0.00 N ATOM 129 CA PRO A 9 10.708 -2.935 2.831 1.00 0.00 C ATOM 130 C PRO A 9 9.272 -2.932 3.343 1.00 0.00 C ATOM 131 O PRO A 9 8.989 -3.432 4.432 1.00 0.00 O ATOM 132 CB PRO A 9 11.653 -2.311 3.859 1.00 0.00 C ATOM 133 CG PRO A 9 11.792 -0.884 3.450 1.00 0.00 C ATOM 134 CD PRO A 9 11.646 -0.854 1.929 1.00 0.00 C ATOM 0 HA PRO A 9 10.931 -3.981 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.247 -2.393 4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.619 -2.815 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.029 -0.268 3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.759 -0.485 3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.121 0.041 1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.617 -0.856 1.435 1.00 0.00 H new ATOM 142 N LYS A 10 8.368 -2.364 2.552 1.00 0.00 N ATOM 143 CA LYS A 10 6.963 -2.302 2.940 1.00 0.00 C ATOM 144 C LYS A 10 6.087 -2.041 1.724 1.00 0.00 C ATOM 145 O LYS A 10 6.515 -1.407 0.763 1.00 0.00 O ATOM 146 CB LYS A 10 6.765 -1.206 3.998 1.00 0.00 C ATOM 147 CG LYS A 10 5.389 -0.538 3.854 1.00 0.00 C ATOM 148 CD LYS A 10 5.129 0.346 5.074 1.00 0.00 C ATOM 149 CE LYS A 10 4.331 -0.441 6.115 1.00 0.00 C ATOM 150 NZ LYS A 10 4.127 0.402 7.327 1.00 0.00 N ATOM 0 H LYS A 10 8.579 -1.944 1.647 1.00 0.00 H new ATOM 0 HA LYS A 10 6.669 -3.260 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.861 -1.637 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.549 -0.455 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.355 0.060 2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.611 -1.296 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.074 0.680 5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.579 1.239 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.368 -0.740 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.862 -1.355 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.584 -0.133 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.051 0.666 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.603 1.262 7.067 1.00 0.00 H new ATOM 164 N ILE A 11 4.855 -2.529 1.785 1.00 0.00 N ATOM 165 CA ILE A 11 3.911 -2.344 0.691 1.00 0.00 C ATOM 166 C ILE A 11 2.520 -2.046 1.241 1.00 0.00 C ATOM 167 O ILE A 11 2.022 -2.753 2.118 1.00 0.00 O ATOM 168 CB ILE A 11 3.877 -3.592 -0.209 1.00 0.00 C ATOM 169 CG1 ILE A 11 3.086 -4.718 0.476 1.00 0.00 C ATOM 170 CG2 ILE A 11 5.306 -4.077 -0.472 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.584 -4.602 0.167 1.00 0.00 C ATOM 0 H ILE A 11 4.487 -3.054 2.578 1.00 0.00 H new ATOM 0 HA ILE A 11 4.238 -1.496 0.089 1.00 0.00 H new ATOM 0 HB ILE A 11 3.394 -3.331 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.457 -5.686 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.244 -4.675 1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.279 -4.961 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.872 -3.289 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.785 -4.327 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.047 -5.410 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.211 -3.643 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.428 -4.670 -0.910 1.00 0.00 H new ATOM 183 N ILE A 12 1.897 -0.994 0.718 1.00 0.00 N ATOM 184 CA ILE A 12 0.561 -0.607 1.157 1.00 0.00 C ATOM 185 C ILE A 12 -0.463 -0.958 0.085 1.00 0.00 C ATOM 186 O ILE A 12 -0.111 -1.169 -1.076 1.00 0.00 O ATOM 187 CB ILE A 12 0.516 0.898 1.444 1.00 0.00 C ATOM 188 CG1 ILE A 12 1.690 1.289 2.352 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.804 1.258 2.129 1.00 0.00 C ATOM 190 CD1 ILE A 12 1.717 0.395 3.594 1.00 0.00 C ATOM 0 H ILE A 12 2.294 -0.397 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 12 0.321 -1.151 2.071 1.00 0.00 H new ATOM 0 HB ILE A 12 0.592 1.442 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.629 1.194 1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.598 2.334 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.829 2.329 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.636 0.991 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.888 0.711 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.554 0.682 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.785 0.511 4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.832 -0.646 3.291 1.00 0.00 H new ATOM 202 N ARG A 13 -1.730 -1.025 0.478 1.00 0.00 N ATOM 203 CA ARG A 13 -2.791 -1.358 -0.464 1.00 0.00 C ATOM 204 C ARG A 13 -4.157 -1.012 0.120 1.00 0.00 C ATOM 205 O ARG A 13 -4.391 -1.174 1.318 1.00 0.00 O ATOM 206 CB ARG A 13 -2.726 -2.849 -0.798 1.00 0.00 C ATOM 207 CG ARG A 13 -4.110 -3.357 -1.216 1.00 0.00 C ATOM 208 CD ARG A 13 -3.960 -4.683 -1.961 1.00 0.00 C ATOM 209 NE ARG A 13 -3.130 -4.506 -3.147 1.00 0.00 N ATOM 210 CZ ARG A 13 -2.501 -5.535 -3.706 1.00 0.00 C ATOM 211 NH1 ARG A 13 -1.764 -5.352 -4.767 1.00 0.00 N ATOM 212 NH2 ARG A 13 -2.621 -6.729 -3.193 1.00 0.00 N ATOM 0 H ARG A 13 -2.045 -0.855 1.433 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.651 -0.775 -1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.010 -3.018 -1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.371 -3.408 0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.741 -3.490 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.602 -2.622 -1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.513 -5.429 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.942 -5.059 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.030 -3.576 -3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.670 -4.419 -5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.282 -6.142 -5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.197 -6.872 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.139 -7.519 -3.621 1.00 0.00 H new ATOM 226 N ASN A 14 -5.055 -0.539 -0.737 1.00 0.00 N ATOM 227 CA ASN A 14 -6.398 -0.175 -0.301 1.00 0.00 C ATOM 228 C ASN A 14 -7.417 -0.503 -1.387 1.00 0.00 C ATOM 229 O ASN A 14 -7.541 -1.654 -1.807 1.00 0.00 O ATOM 230 CB ASN A 14 -6.457 1.318 0.028 1.00 0.00 C ATOM 231 CG ASN A 14 -5.996 2.134 -1.174 1.00 0.00 C ATOM 232 OD1 ASN A 14 -6.728 2.997 -1.656 1.00 0.00 O ATOM 233 ND2 ASN A 14 -4.816 1.917 -1.686 1.00 0.00 N ATOM 0 H ASN A 14 -4.879 -0.399 -1.732 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.639 -0.749 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.474 1.599 0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.825 1.535 0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.499 2.463 -2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.210 1.201 -1.285 1.00 0.00 H new ATOM 240 N GLU A 15 -8.142 0.512 -1.838 1.00 0.00 N ATOM 241 CA GLU A 15 -9.148 0.315 -2.877 1.00 0.00 C ATOM 242 C GLU A 15 -9.472 1.633 -3.576 1.00 0.00 C ATOM 243 O GLU A 15 -10.301 1.677 -4.484 1.00 0.00 O ATOM 244 CB GLU A 15 -10.422 -0.267 -2.261 1.00 0.00 C ATOM 245 CG GLU A 15 -11.471 -0.492 -3.353 1.00 0.00 C ATOM 246 CD GLU A 15 -12.455 0.672 -3.377 1.00 0.00 C ATOM 247 OE1 GLU A 15 -12.986 0.996 -2.329 1.00 0.00 O ATOM 248 OE2 GLU A 15 -12.664 1.224 -4.446 1.00 0.00 O ATOM 0 H GLU A 15 -8.055 1.472 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.748 -0.380 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.197 -1.209 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.813 0.412 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.984 -0.587 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.003 -1.426 -3.171 1.00 0.00 H new ATOM 255 N ARG A 16 -8.815 2.707 -3.147 1.00 0.00 N ATOM 256 CA ARG A 16 -9.049 4.017 -3.741 1.00 0.00 C ATOM 257 C ARG A 16 -7.836 4.923 -3.552 1.00 0.00 C ATOM 258 O ARG A 16 -6.699 4.454 -3.516 1.00 0.00 O ATOM 259 CB ARG A 16 -10.277 4.662 -3.096 1.00 0.00 C ATOM 260 CG ARG A 16 -11.005 5.525 -4.127 1.00 0.00 C ATOM 261 CD ARG A 16 -11.945 4.648 -4.956 1.00 0.00 C ATOM 262 NE ARG A 16 -12.045 5.163 -6.317 1.00 0.00 N ATOM 263 CZ ARG A 16 -12.411 4.376 -7.324 1.00 0.00 C ATOM 264 NH1 ARG A 16 -12.494 4.859 -8.533 1.00 0.00 N ATOM 265 NH2 ARG A 16 -12.686 3.119 -7.103 1.00 0.00 N ATOM 0 H ARG A 16 -8.123 2.696 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.220 3.886 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.947 3.891 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.975 5.272 -2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.571 6.310 -3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.283 6.019 -4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.576 3.622 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.932 4.624 -4.495 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.831 6.143 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.278 5.841 -8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.775 4.255 -9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.620 2.741 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.967 2.515 -7.875 1.00 0.00 H new TER 279 ARG A 16