USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=4 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+ 144:sc= -1.82! (180deg=-5.03!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 147:sc= -0.0651 (180deg=-1.48!) USER MOD Single : A 14 ASN :FLIP amide:sc= -1.5! C(o=-5.6!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.644 2.036 -3.071 1.00 0.00 N ATOM 2 CA GLY A 1 -10.062 3.398 -2.756 1.00 0.00 C ATOM 3 C GLY A 1 -8.891 4.215 -2.223 1.00 0.00 C ATOM 4 O GLY A 1 -8.754 5.399 -2.533 1.00 0.00 O ATOM 0 H2 GLY A 1 -10.413 1.375 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.467 3.874 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.862 3.376 -2.016 1.00 0.00 H new ATOM 8 N SER A 2 -8.048 3.576 -1.419 1.00 0.00 N ATOM 9 CA SER A 2 -6.890 4.253 -0.848 1.00 0.00 C ATOM 10 C SER A 2 -5.935 4.699 -1.951 1.00 0.00 C ATOM 11 O SER A 2 -6.276 4.655 -3.134 1.00 0.00 O ATOM 12 CB SER A 2 -6.160 3.315 0.115 1.00 0.00 C ATOM 13 OG SER A 2 -5.703 4.058 1.236 1.00 0.00 O ATOM 0 H SER A 2 -8.144 2.597 -1.150 1.00 0.00 H new ATOM 0 HA SER A 2 -7.236 5.132 -0.305 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.828 2.517 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.318 2.840 -0.389 1.00 0.00 H new ATOM 0 HG SER A 2 -5.236 3.460 1.856 1.00 0.00 H new ATOM 19 N ARG A 3 -4.740 5.125 -1.556 1.00 0.00 N ATOM 20 CA ARG A 3 -3.741 5.576 -2.520 1.00 0.00 C ATOM 21 C ARG A 3 -2.685 4.500 -2.728 1.00 0.00 C ATOM 22 O ARG A 3 -2.046 4.429 -3.778 1.00 0.00 O ATOM 23 CB ARG A 3 -3.092 6.878 -2.024 1.00 0.00 C ATOM 24 CG ARG A 3 -1.635 6.974 -2.499 1.00 0.00 C ATOM 25 CD ARG A 3 -1.134 8.406 -2.308 1.00 0.00 C ATOM 26 NE ARG A 3 -1.782 9.299 -3.262 1.00 0.00 N ATOM 27 CZ ARG A 3 -1.850 10.608 -3.040 1.00 0.00 C ATOM 28 NH1 ARG A 3 -2.436 11.387 -3.909 1.00 0.00 N ATOM 29 NH2 ARG A 3 -1.333 11.115 -1.954 1.00 0.00 N ATOM 0 H ARG A 3 -4.440 5.168 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.229 5.767 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.657 7.735 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.128 6.916 -0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.011 6.280 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.563 6.688 -3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.340 8.738 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.053 8.442 -2.442 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.190 8.913 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.841 10.991 -4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.489 12.391 -3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.876 10.507 -1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.386 12.119 -1.785 1.00 0.00 H new ATOM 43 N GLY A 4 -2.518 3.662 -1.718 1.00 0.00 N ATOM 44 CA GLY A 4 -1.542 2.580 -1.781 1.00 0.00 C ATOM 45 C GLY A 4 -0.161 3.115 -2.141 1.00 0.00 C ATOM 46 O GLY A 4 -0.022 4.259 -2.574 1.00 0.00 O ATOM 0 H GLY A 4 -3.043 3.708 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.499 2.067 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.856 1.844 -2.521 1.00 0.00 H new ATOM 50 N PHE A 5 0.860 2.283 -1.959 1.00 0.00 N ATOM 51 CA PHE A 5 2.227 2.687 -2.267 1.00 0.00 C ATOM 52 C PHE A 5 3.182 1.503 -2.140 1.00 0.00 C ATOM 53 O PHE A 5 2.843 0.482 -1.543 1.00 0.00 O ATOM 54 CB PHE A 5 2.668 3.801 -1.313 1.00 0.00 C ATOM 55 CG PHE A 5 3.971 4.393 -1.796 1.00 0.00 C ATOM 56 CD1 PHE A 5 5.153 4.158 -1.083 1.00 0.00 C ATOM 57 CD2 PHE A 5 3.997 5.178 -2.955 1.00 0.00 C ATOM 58 CE1 PHE A 5 6.361 4.708 -1.530 1.00 0.00 C ATOM 59 CE2 PHE A 5 5.204 5.728 -3.402 1.00 0.00 C ATOM 60 CZ PHE A 5 6.386 5.493 -2.689 1.00 0.00 C ATOM 0 H PHE A 5 0.768 1.332 -1.602 1.00 0.00 H new ATOM 0 HA PHE A 5 2.254 3.051 -3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.902 4.575 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.788 3.404 -0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.133 3.553 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.085 5.359 -3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.273 4.527 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.224 6.333 -4.296 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.317 5.918 -3.033 1.00 0.00 H new ATOM 70 N ARG A 6 4.378 1.654 -2.704 1.00 0.00 N ATOM 71 CA ARG A 6 5.387 0.602 -2.649 1.00 0.00 C ATOM 72 C ARG A 6 6.609 1.094 -1.882 1.00 0.00 C ATOM 73 O ARG A 6 7.145 2.161 -2.177 1.00 0.00 O ATOM 74 CB ARG A 6 5.803 0.206 -4.071 1.00 0.00 C ATOM 75 CG ARG A 6 5.601 -1.298 -4.273 1.00 0.00 C ATOM 76 CD ARG A 6 4.105 -1.614 -4.306 1.00 0.00 C ATOM 77 NE ARG A 6 3.685 -1.926 -5.667 1.00 0.00 N ATOM 78 CZ ARG A 6 2.406 -1.868 -6.023 1.00 0.00 C ATOM 79 NH1 ARG A 6 2.057 -2.150 -7.248 1.00 0.00 N ATOM 80 NH2 ARG A 6 1.499 -1.532 -5.147 1.00 0.00 N ATOM 0 H ARG A 6 4.671 2.494 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 6 4.966 -0.265 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.213 0.762 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.848 0.467 -4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.071 -1.617 -5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.082 -1.852 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.890 -2.457 -3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.538 -0.763 -3.929 1.00 0.00 H new ATOM 0 HE ARG A 6 4.386 -2.194 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.766 -2.415 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.075 -2.106 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.772 -1.314 -4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.517 -1.488 -5.421 1.00 0.00 H new ATOM 94 N PHE A 7 7.043 0.317 -0.890 1.00 0.00 N ATOM 95 CA PHE A 7 8.201 0.702 -0.090 1.00 0.00 C ATOM 96 C PHE A 7 9.113 -0.507 0.155 1.00 0.00 C ATOM 97 O PHE A 7 9.192 -1.043 1.261 1.00 0.00 O ATOM 98 CB PHE A 7 7.720 1.314 1.237 1.00 0.00 C ATOM 99 CG PHE A 7 8.417 2.640 1.467 1.00 0.00 C ATOM 100 CD1 PHE A 7 9.814 2.733 1.369 1.00 0.00 C ATOM 101 CD2 PHE A 7 7.661 3.780 1.780 1.00 0.00 C ATOM 102 CE1 PHE A 7 10.450 3.962 1.584 1.00 0.00 C ATOM 103 CE2 PHE A 7 8.301 5.006 1.995 1.00 0.00 C ATOM 104 CZ PHE A 7 9.694 5.098 1.897 1.00 0.00 C ATOM 0 H PHE A 7 6.616 -0.571 -0.625 1.00 0.00 H new ATOM 0 HA PHE A 7 8.784 1.448 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.640 1.459 1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.931 0.633 2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.398 1.857 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.586 3.711 1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.525 4.034 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 7 7.719 5.883 2.237 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.186 6.045 2.063 1.00 0.00 H new HETATM 114 N DPR A 8 9.798 -0.938 -0.870 1.00 0.00 N HETATM 115 CA DPR A 8 10.729 -2.096 -0.801 1.00 0.00 C HETATM 116 CB DPR A 8 10.717 -2.612 -2.238 1.00 0.00 C HETATM 117 CG DPR A 8 10.492 -1.402 -3.089 1.00 0.00 C HETATM 118 CD DPR A 8 9.758 -0.368 -2.224 1.00 0.00 C HETATM 119 C DPR A 8 10.249 -3.180 0.173 1.00 0.00 C HETATM 120 O DPR A 8 9.402 -4.000 -0.181 1.00 0.00 O HETATM 0 HG3 DPR A 8 11.441 -1.001 -3.446 1.00 0.00 H new HETATM 0 HG2 DPR A 8 9.902 -1.655 -3.970 1.00 0.00 H new HETATM 0 HD3 DPR A 8 8.733 -0.220 -2.564 1.00 0.00 H new HETATM 0 HD2 DPR A 8 10.250 0.604 -2.262 1.00 0.00 H new HETATM 0 HB3 DPR A 8 11.659 -3.100 -2.489 1.00 0.00 H new HETATM 0 HB2 DPR A 8 9.927 -3.349 -2.385 1.00 0.00 H new HETATM 0 HA DPR A 8 11.717 -1.819 -0.433 1.00 0.00 H new ATOM 128 N PRO A 9 10.765 -3.208 1.383 1.00 0.00 N ATOM 129 CA PRO A 9 10.360 -4.225 2.398 1.00 0.00 C ATOM 130 C PRO A 9 8.954 -3.980 2.940 1.00 0.00 C ATOM 131 O PRO A 9 8.541 -4.600 3.921 1.00 0.00 O ATOM 132 CB PRO A 9 11.403 -4.070 3.507 1.00 0.00 C ATOM 133 CG PRO A 9 11.880 -2.661 3.398 1.00 0.00 C ATOM 134 CD PRO A 9 11.783 -2.284 1.920 1.00 0.00 C ATOM 0 HA PRO A 9 10.326 -5.228 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.968 -4.264 4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.224 -4.775 3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.269 -1.996 4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.906 -2.570 3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.485 -1.243 1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.740 -2.406 1.413 1.00 0.00 H new ATOM 142 N LYS A 10 8.222 -3.076 2.298 1.00 0.00 N ATOM 143 CA LYS A 10 6.863 -2.764 2.730 1.00 0.00 C ATOM 144 C LYS A 10 6.113 -2.029 1.629 1.00 0.00 C ATOM 145 O LYS A 10 6.711 -1.317 0.827 1.00 0.00 O ATOM 146 CB LYS A 10 6.910 -1.897 4.001 1.00 0.00 C ATOM 147 CG LYS A 10 5.521 -1.774 4.656 1.00 0.00 C ATOM 148 CD LYS A 10 5.516 -0.567 5.593 1.00 0.00 C ATOM 149 CE LYS A 10 4.155 -0.458 6.283 1.00 0.00 C ATOM 150 NZ LYS A 10 3.813 0.979 6.485 1.00 0.00 N ATOM 0 H LYS A 10 8.542 -2.551 1.484 1.00 0.00 H new ATOM 0 HA LYS A 10 6.339 -3.695 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.611 -2.332 4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.284 -0.904 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.753 -1.659 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.285 -2.682 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.305 -0.669 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.724 0.343 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.389 -0.943 5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.179 -0.975 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.783 1.105 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.131 1.282 7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.286 1.554 5.759 1.00 0.00 H new ATOM 164 N ILE A 11 4.801 -2.206 1.608 1.00 0.00 N ATOM 165 CA ILE A 11 3.960 -1.557 0.608 1.00 0.00 C ATOM 166 C ILE A 11 2.595 -1.222 1.204 1.00 0.00 C ATOM 167 O ILE A 11 2.076 -1.954 2.047 1.00 0.00 O ATOM 168 CB ILE A 11 3.798 -2.459 -0.625 1.00 0.00 C ATOM 169 CG1 ILE A 11 2.832 -3.608 -0.315 1.00 0.00 C ATOM 170 CG2 ILE A 11 5.157 -3.039 -1.029 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.432 -3.263 -0.830 1.00 0.00 C ATOM 0 H ILE A 11 4.294 -2.793 2.270 1.00 0.00 H new ATOM 0 HA ILE A 11 4.442 -0.631 0.296 1.00 0.00 H new ATOM 0 HB ILE A 11 3.398 -1.861 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.185 -4.528 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.800 -3.788 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.035 -3.678 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.843 -2.226 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.561 -3.627 -0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.750 -4.083 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.079 -2.354 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.469 -3.105 -1.908 1.00 0.00 H new ATOM 183 N ILE A 12 2.020 -0.111 0.758 1.00 0.00 N ATOM 184 CA ILE A 12 0.714 0.312 1.250 1.00 0.00 C ATOM 185 C ILE A 12 -0.379 -0.088 0.264 1.00 0.00 C ATOM 186 O ILE A 12 -0.240 0.105 -0.944 1.00 0.00 O ATOM 187 CB ILE A 12 0.695 1.830 1.448 1.00 0.00 C ATOM 188 CG1 ILE A 12 1.925 2.266 2.255 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.579 2.235 2.194 1.00 0.00 C ATOM 190 CD1 ILE A 12 2.044 1.431 3.534 1.00 0.00 C ATOM 0 H ILE A 12 2.434 0.509 0.062 1.00 0.00 H new ATOM 0 HA ILE A 12 0.528 -0.179 2.205 1.00 0.00 H new ATOM 0 HB ILE A 12 0.715 2.318 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.825 2.149 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.846 3.323 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.591 3.316 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.451 1.935 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.603 1.743 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.921 1.751 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.151 1.570 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.145 0.378 3.273 1.00 0.00 H new ATOM 202 N ARG A 13 -1.464 -0.647 0.790 1.00 0.00 N ATOM 203 CA ARG A 13 -2.579 -1.076 -0.046 1.00 0.00 C ATOM 204 C ARG A 13 -3.621 -1.808 0.795 1.00 0.00 C ATOM 205 O ARG A 13 -3.278 -2.546 1.719 1.00 0.00 O ATOM 206 CB ARG A 13 -2.076 -1.997 -1.162 1.00 0.00 C ATOM 207 CG ARG A 13 -3.218 -2.893 -1.650 1.00 0.00 C ATOM 208 CD ARG A 13 -2.877 -3.444 -3.036 1.00 0.00 C ATOM 209 NE ARG A 13 -1.448 -3.720 -3.132 1.00 0.00 N ATOM 210 CZ ARG A 13 -0.838 -3.783 -4.311 1.00 0.00 C ATOM 211 NH1 ARG A 13 0.441 -4.032 -4.372 1.00 0.00 N ATOM 212 NH2 ARG A 13 -1.520 -3.598 -5.409 1.00 0.00 N ATOM 0 H ARG A 13 -1.595 -0.813 1.788 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.039 -0.193 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.689 -1.403 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.252 -2.610 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.376 -3.713 -0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.148 -2.326 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.444 -4.356 -3.222 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.168 -2.726 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.908 -3.867 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.974 -4.179 -3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.909 -4.080 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.520 -3.405 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.052 -3.646 -6.314 1.00 0.00 H new ATOM 226 N ASN A 14 -4.891 -1.600 0.469 1.00 0.00 N ATOM 227 CA ASN A 14 -5.973 -2.246 1.203 1.00 0.00 C ATOM 228 C ASN A 14 -7.269 -2.191 0.401 1.00 0.00 C ATOM 229 O ASN A 14 -7.685 -1.124 -0.051 1.00 0.00 O ATOM 230 CB ASN A 14 -6.176 -1.553 2.550 1.00 0.00 C ATOM 231 CG ASN A 14 -5.735 -0.097 2.458 1.00 0.00 C ATOM 232 OD1 ASN A 14 -5.829 0.532 1.318 1.00 0.00 O flip ATOM 233 ND2 ASN A 14 -5.295 0.484 3.450 1.00 0.00 N flip ATOM 0 H ASN A 14 -5.196 -0.994 -0.293 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.704 -3.289 1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.225 -1.606 2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.604 -2.067 3.323 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.222 -0.010 4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.003 1.459 3.382 1.00 0.00 H new ATOM 240 N GLU A 15 -7.903 -3.346 0.230 1.00 0.00 N ATOM 241 CA GLU A 15 -9.152 -3.416 -0.520 1.00 0.00 C ATOM 242 C GLU A 15 -9.077 -2.539 -1.765 1.00 0.00 C ATOM 243 O GLU A 15 -8.608 -2.975 -2.816 1.00 0.00 O ATOM 244 CB GLU A 15 -10.316 -2.959 0.361 1.00 0.00 C ATOM 245 CG GLU A 15 -10.533 -3.971 1.489 1.00 0.00 C ATOM 246 CD GLU A 15 -9.363 -3.924 2.464 1.00 0.00 C ATOM 247 OE1 GLU A 15 -9.243 -2.933 3.167 1.00 0.00 O ATOM 248 OE2 GLU A 15 -8.604 -4.878 2.495 1.00 0.00 O ATOM 0 H GLU A 15 -7.576 -4.240 0.597 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.314 -4.449 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.105 -1.974 0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.223 -2.865 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.463 -3.750 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.632 -4.974 1.075 1.00 0.00 H new ATOM 255 N ARG A 16 -9.540 -1.299 -1.637 1.00 0.00 N ATOM 256 CA ARG A 16 -9.519 -0.366 -2.758 1.00 0.00 C ATOM 257 C ARG A 16 -10.027 1.005 -2.323 1.00 0.00 C ATOM 258 O ARG A 16 -10.749 1.124 -1.333 1.00 0.00 O ATOM 259 CB ARG A 16 -10.392 -0.898 -3.896 1.00 0.00 C ATOM 260 CG ARG A 16 -10.587 0.197 -4.947 1.00 0.00 C ATOM 261 CD ARG A 16 -11.045 -0.434 -6.263 1.00 0.00 C ATOM 262 NE ARG A 16 -9.900 -0.666 -7.136 1.00 0.00 N ATOM 263 CZ ARG A 16 -9.400 0.310 -7.888 1.00 0.00 C ATOM 264 NH1 ARG A 16 -8.375 0.078 -8.662 1.00 0.00 N ATOM 265 NH2 ARG A 16 -9.936 1.499 -7.854 1.00 0.00 N ATOM 0 H ARG A 16 -9.931 -0.919 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.491 -0.267 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.924 -1.772 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.358 -1.219 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.326 0.920 -4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.655 0.741 -5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.557 -1.376 -6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.762 0.220 -6.758 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.475 -1.593 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.957 -0.852 -8.690 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.992 0.827 -9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.738 1.680 -7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.553 2.248 -8.431 1.00 0.00 H new TER 279 ARG A 16