USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 138 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+ 143:sc= -0.489 (180deg=-2.28!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.125! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.885 0.108 2.294 1.00 0.00 N ATOM 2 CA GLY A 1 10.796 1.246 2.259 1.00 0.00 C ATOM 3 C GLY A 1 10.310 2.299 1.272 1.00 0.00 C ATOM 4 O GLY A 1 10.939 3.343 1.100 1.00 0.00 O ATOM 0 H2 GLY A 1 10.431 -0.770 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.876 1.684 3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.794 0.910 1.977 1.00 0.00 H new ATOM 8 N SER A 2 9.188 2.012 0.627 1.00 0.00 N ATOM 9 CA SER A 2 8.614 2.935 -0.346 1.00 0.00 C ATOM 10 C SER A 2 7.397 3.643 0.240 1.00 0.00 C ATOM 11 O SER A 2 7.410 4.058 1.399 1.00 0.00 O ATOM 12 CB SER A 2 8.205 2.172 -1.608 1.00 0.00 C ATOM 13 OG SER A 2 7.649 3.082 -2.548 1.00 0.00 O ATOM 0 H SER A 2 8.657 1.151 0.758 1.00 0.00 H new ATOM 0 HA SER A 2 9.366 3.682 -0.600 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.071 1.669 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.478 1.399 -1.360 1.00 0.00 H new ATOM 0 HG SER A 2 7.388 2.596 -3.358 1.00 0.00 H new ATOM 19 N ARG A 3 6.349 3.774 -0.569 1.00 0.00 N ATOM 20 CA ARG A 3 5.122 4.432 -0.126 1.00 0.00 C ATOM 21 C ARG A 3 3.922 3.511 -0.323 1.00 0.00 C ATOM 22 O ARG A 3 3.912 2.675 -1.227 1.00 0.00 O ATOM 23 CB ARG A 3 4.909 5.726 -0.914 1.00 0.00 C ATOM 24 CG ARG A 3 3.660 6.440 -0.397 1.00 0.00 C ATOM 25 CD ARG A 3 3.648 7.883 -0.904 1.00 0.00 C ATOM 26 NE ARG A 3 2.306 8.258 -1.331 1.00 0.00 N ATOM 27 CZ ARG A 3 1.775 7.765 -2.445 1.00 0.00 C ATOM 28 NH1 ARG A 3 0.573 8.119 -2.809 1.00 0.00 N ATOM 29 NH2 ARG A 3 2.458 6.926 -3.175 1.00 0.00 N ATOM 0 H ARG A 3 6.324 3.435 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 3 5.218 4.665 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.780 6.374 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.800 5.504 -1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.764 5.918 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.646 6.427 0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.987 8.555 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.345 7.989 -1.736 1.00 0.00 H new ATOM 0 HE ARG A 3 1.764 8.911 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.040 8.775 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.167 7.740 -3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.398 6.650 -2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.052 6.547 -4.030 1.00 0.00 H new ATOM 43 N GLY A 4 2.914 3.669 0.528 1.00 0.00 N ATOM 44 CA GLY A 4 1.715 2.845 0.438 1.00 0.00 C ATOM 45 C GLY A 4 0.710 3.448 -0.538 1.00 0.00 C ATOM 46 O GLY A 4 0.791 4.629 -0.875 1.00 0.00 O ATOM 0 H GLY A 4 2.903 4.355 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.984 1.840 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.259 2.751 1.424 1.00 0.00 H new ATOM 50 N PHE A 5 -0.237 2.630 -0.989 1.00 0.00 N ATOM 51 CA PHE A 5 -1.251 3.097 -1.927 1.00 0.00 C ATOM 52 C PHE A 5 -2.625 2.552 -1.551 1.00 0.00 C ATOM 53 O PHE A 5 -2.734 1.513 -0.898 1.00 0.00 O ATOM 54 CB PHE A 5 -0.896 2.655 -3.347 1.00 0.00 C ATOM 55 CG PHE A 5 0.605 2.623 -3.504 1.00 0.00 C ATOM 56 CD1 PHE A 5 1.303 3.801 -3.797 1.00 0.00 C ATOM 57 CD2 PHE A 5 1.299 1.416 -3.359 1.00 0.00 C ATOM 58 CE1 PHE A 5 2.695 3.772 -3.945 1.00 0.00 C ATOM 59 CE2 PHE A 5 2.690 1.387 -3.507 1.00 0.00 C ATOM 60 CZ PHE A 5 3.388 2.564 -3.799 1.00 0.00 C ATOM 0 H PHE A 5 -0.323 1.649 -0.723 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.281 4.186 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.314 1.669 -3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.334 3.340 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.767 4.732 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.761 0.507 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.234 4.680 -4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.225 0.456 -3.396 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.462 2.541 -3.912 1.00 0.00 H new ATOM 70 N ARG A 6 -3.669 3.261 -1.967 1.00 0.00 N ATOM 71 CA ARG A 6 -5.034 2.841 -1.668 1.00 0.00 C ATOM 72 C ARG A 6 -5.376 1.553 -2.408 1.00 0.00 C ATOM 73 O ARG A 6 -5.756 1.582 -3.579 1.00 0.00 O ATOM 74 CB ARG A 6 -6.018 3.941 -2.071 1.00 0.00 C ATOM 75 CG ARG A 6 -7.424 3.571 -1.593 1.00 0.00 C ATOM 76 CD ARG A 6 -8.381 3.549 -2.787 1.00 0.00 C ATOM 77 NE ARG A 6 -8.490 4.880 -3.373 1.00 0.00 N ATOM 78 CZ ARG A 6 -8.894 5.048 -4.628 1.00 0.00 C ATOM 79 NH1 ARG A 6 -8.986 6.248 -5.130 1.00 0.00 N ATOM 80 NH2 ARG A 6 -9.200 4.010 -5.359 1.00 0.00 N ATOM 0 H ARG A 6 -3.598 4.123 -2.508 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.110 2.659 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.714 4.893 -1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.013 4.069 -3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.409 2.595 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.768 4.291 -0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.023 2.843 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.364 3.203 -2.467 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.252 5.696 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.748 7.059 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.296 6.375 -6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.129 3.071 -4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.510 4.138 -6.322 1.00 0.00 H new ATOM 94 N PHE A 7 -5.244 0.426 -1.713 1.00 0.00 N ATOM 95 CA PHE A 7 -5.542 -0.872 -2.300 1.00 0.00 C ATOM 96 C PHE A 7 -6.740 -1.504 -1.582 1.00 0.00 C ATOM 97 O PHE A 7 -6.572 -2.215 -0.590 1.00 0.00 O ATOM 98 CB PHE A 7 -4.318 -1.781 -2.168 1.00 0.00 C ATOM 99 CG PHE A 7 -3.765 -2.083 -3.541 1.00 0.00 C ATOM 100 CD1 PHE A 7 -2.815 -1.229 -4.115 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.202 -3.215 -4.240 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.302 -1.507 -5.387 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.688 -3.492 -5.513 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.738 -2.638 -6.086 1.00 0.00 C ATOM 0 H PHE A 7 -4.932 0.388 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.788 -0.746 -3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.557 -1.297 -1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.592 -2.707 -1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.478 -0.356 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.935 -3.874 -3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.569 -0.848 -5.829 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.025 -4.365 -6.053 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.342 -2.852 -7.068 1.00 0.00 H new HETATM 114 N DPR A 8 -7.945 -1.251 -2.038 1.00 0.00 N HETATM 115 CA DPR A 8 -9.159 -1.815 -1.391 1.00 0.00 C HETATM 116 CB DPR A 8 -10.293 -1.471 -2.360 1.00 0.00 C HETATM 117 CG DPR A 8 -9.807 -0.288 -3.127 1.00 0.00 C HETATM 118 CD DPR A 8 -8.285 -0.410 -3.198 1.00 0.00 C HETATM 119 C DPR A 8 -9.391 -1.178 -0.020 1.00 0.00 C HETATM 120 O DPR A 8 -8.980 -0.040 0.211 1.00 0.00 O HETATM 0 HG3 DPR A 8 -10.241 -0.269 -4.127 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -10.099 0.640 -2.635 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -7.802 0.566 -3.140 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -7.964 -0.869 -4.133 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -10.511 -2.308 -3.023 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -11.213 -1.241 -1.823 1.00 0.00 H new HETATM 0 HA DPR A 8 -9.079 -2.887 -1.211 1.00 0.00 H new ATOM 128 N PRO A 9 -10.022 -1.871 0.895 1.00 0.00 N ATOM 129 CA PRO A 9 -10.275 -1.329 2.252 1.00 0.00 C ATOM 130 C PRO A 9 -9.028 -1.414 3.125 1.00 0.00 C ATOM 131 O PRO A 9 -9.112 -1.429 4.353 1.00 0.00 O ATOM 132 CB PRO A 9 -11.399 -2.213 2.792 1.00 0.00 C ATOM 133 CG PRO A 9 -11.275 -3.514 2.067 1.00 0.00 C ATOM 134 CD PRO A 9 -10.558 -3.232 0.743 1.00 0.00 C ATOM 0 HA PRO A 9 -10.543 -0.272 2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.303 -2.354 3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.374 -1.758 2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.713 -4.234 2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.258 -3.948 1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.762 -3.954 0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.244 -3.296 -0.101 1.00 0.00 H new ATOM 142 N LYS A 10 -7.868 -1.465 2.473 1.00 0.00 N ATOM 143 CA LYS A 10 -6.597 -1.541 3.188 1.00 0.00 C ATOM 144 C LYS A 10 -5.532 -0.722 2.462 1.00 0.00 C ATOM 145 O LYS A 10 -5.710 -0.341 1.305 1.00 0.00 O ATOM 146 CB LYS A 10 -6.115 -2.999 3.295 1.00 0.00 C ATOM 147 CG LYS A 10 -7.299 -3.968 3.467 1.00 0.00 C ATOM 148 CD LYS A 10 -6.779 -5.309 3.985 1.00 0.00 C ATOM 149 CE LYS A 10 -7.952 -6.268 4.191 1.00 0.00 C ATOM 150 NZ LYS A 10 -8.298 -6.328 5.639 1.00 0.00 N ATOM 0 H LYS A 10 -7.782 -1.455 1.457 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.754 -1.140 4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.552 -3.265 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.435 -3.098 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.026 -3.552 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.813 -4.106 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.069 -5.734 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.244 -5.165 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.814 -5.934 3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.691 -7.262 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.096 -6.980 5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.476 -6.666 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.564 -5.379 5.972 1.00 0.00 H new ATOM 164 N ILE A 11 -4.425 -0.463 3.155 1.00 0.00 N ATOM 165 CA ILE A 11 -3.325 0.305 2.578 1.00 0.00 C ATOM 166 C ILE A 11 -2.053 -0.538 2.558 1.00 0.00 C ATOM 167 O ILE A 11 -1.591 -1.004 3.600 1.00 0.00 O ATOM 168 CB ILE A 11 -3.093 1.579 3.402 1.00 0.00 C ATOM 169 CG1 ILE A 11 -4.034 2.685 2.906 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.636 2.037 3.262 1.00 0.00 C ATOM 171 CD1 ILE A 11 -3.382 3.454 1.753 1.00 0.00 C ATOM 0 H ILE A 11 -4.267 -0.773 4.114 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.583 0.581 1.556 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.298 1.370 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.977 2.250 2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.267 3.368 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.481 2.942 3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.972 1.252 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.419 2.244 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.059 4.236 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.451 3.905 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.172 2.769 0.932 1.00 0.00 H new ATOM 183 N ILE A 12 -1.493 -0.734 1.370 1.00 0.00 N ATOM 184 CA ILE A 12 -0.277 -1.528 1.236 1.00 0.00 C ATOM 185 C ILE A 12 0.663 -0.918 0.204 1.00 0.00 C ATOM 186 O ILE A 12 0.248 -0.125 -0.642 1.00 0.00 O ATOM 187 CB ILE A 12 -0.624 -2.953 0.811 1.00 0.00 C ATOM 188 CG1 ILE A 12 -2.016 -3.322 1.332 1.00 0.00 C ATOM 189 CG2 ILE A 12 0.409 -3.924 1.385 1.00 0.00 C ATOM 190 CD1 ILE A 12 -2.294 -4.797 1.045 1.00 0.00 C ATOM 0 H ILE A 12 -1.857 -0.359 0.494 1.00 0.00 H new ATOM 0 HA ILE A 12 0.221 -1.541 2.205 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.617 -3.016 -0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.077 -3.131 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.772 -2.699 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.161 -4.941 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.399 -3.665 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.404 -3.859 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.285 -5.059 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.251 -4.973 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.545 -5.412 1.544 1.00 0.00 H new ATOM 202 N PHE A 13 1.934 -1.295 0.287 1.00 0.00 N ATOM 203 CA PHE A 13 2.940 -0.794 -0.627 1.00 0.00 C ATOM 204 C PHE A 13 3.401 -1.894 -1.575 1.00 0.00 C ATOM 205 O PHE A 13 2.980 -3.045 -1.460 1.00 0.00 O ATOM 206 CB PHE A 13 4.126 -0.285 0.179 1.00 0.00 C ATOM 207 CG PHE A 13 4.031 -0.801 1.595 1.00 0.00 C ATOM 208 CD1 PHE A 13 4.438 -2.106 1.894 1.00 0.00 C ATOM 209 CD2 PHE A 13 3.534 0.027 2.609 1.00 0.00 C ATOM 210 CE1 PHE A 13 4.350 -2.584 3.207 1.00 0.00 C ATOM 211 CE2 PHE A 13 3.445 -0.450 3.922 1.00 0.00 C ATOM 212 CZ PHE A 13 3.854 -1.756 4.221 1.00 0.00 C ATOM 0 H PHE A 13 2.288 -1.950 0.984 1.00 0.00 H new ATOM 0 HA PHE A 13 2.513 0.014 -1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.059 -0.616 -0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.139 0.805 0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.820 -2.745 1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.219 1.034 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.665 -3.591 3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.061 0.188 4.704 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.787 -2.124 5.234 1.00 0.00 H new ATOM 222 N ASN A 14 4.271 -1.532 -2.511 1.00 0.00 N ATOM 223 CA ASN A 14 4.787 -2.497 -3.474 1.00 0.00 C ATOM 224 C ASN A 14 6.140 -3.036 -3.020 1.00 0.00 C ATOM 225 O ASN A 14 6.431 -4.222 -3.175 1.00 0.00 O ATOM 226 CB ASN A 14 4.932 -1.840 -4.847 1.00 0.00 C ATOM 227 CG ASN A 14 4.062 -2.567 -5.867 1.00 0.00 C ATOM 228 OD1 ASN A 14 4.449 -3.618 -6.376 1.00 0.00 O ATOM 229 ND2 ASN A 14 2.905 -2.067 -6.194 1.00 0.00 N ATOM 0 H ASN A 14 4.632 -0.584 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 14 4.082 -3.326 -3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.641 -0.791 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.975 -1.865 -5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.316 -2.547 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.588 -1.195 -5.770 1.00 0.00 H new ATOM 236 N GLU A 15 6.962 -2.157 -2.456 1.00 0.00 N ATOM 237 CA GLU A 15 8.281 -2.556 -1.981 1.00 0.00 C ATOM 238 C GLU A 15 8.609 -1.864 -0.662 1.00 0.00 C ATOM 239 O GLU A 15 8.698 -0.638 -0.598 1.00 0.00 O ATOM 240 CB GLU A 15 9.343 -2.199 -3.023 1.00 0.00 C ATOM 241 CG GLU A 15 10.557 -3.114 -2.850 1.00 0.00 C ATOM 242 CD GLU A 15 11.634 -2.749 -3.867 1.00 0.00 C ATOM 243 OE1 GLU A 15 11.673 -1.599 -4.272 1.00 0.00 O ATOM 244 OE2 GLU A 15 12.403 -3.625 -4.226 1.00 0.00 O ATOM 0 H GLU A 15 6.740 -1.171 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 15 8.276 -3.634 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.933 -2.307 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.641 -1.157 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.953 -3.019 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.260 -4.155 -2.980 1.00 0.00 H new ATOM 251 N ARG A 16 8.785 -2.658 0.389 1.00 0.00 N ATOM 252 CA ARG A 16 9.102 -2.110 1.703 1.00 0.00 C ATOM 253 C ARG A 16 10.128 -0.988 1.583 1.00 0.00 C ATOM 254 O ARG A 16 11.117 -1.113 0.861 1.00 0.00 O ATOM 255 CB ARG A 16 9.653 -3.213 2.610 1.00 0.00 C ATOM 256 CG ARG A 16 9.608 -2.746 4.067 1.00 0.00 C ATOM 257 CD ARG A 16 8.261 -3.123 4.684 1.00 0.00 C ATOM 258 NE ARG A 16 8.321 -4.477 5.245 1.00 0.00 N ATOM 259 CZ ARG A 16 7.265 -5.018 5.844 1.00 0.00 C ATOM 260 NH1 ARG A 16 7.341 -6.223 6.338 1.00 0.00 N ATOM 261 NH2 ARG A 16 6.153 -4.342 5.939 1.00 0.00 N ATOM 0 H ARG A 16 8.714 -3.675 0.358 1.00 0.00 H new ATOM 0 HA ARG A 16 8.188 -1.706 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.066 -4.124 2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.677 -3.454 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.419 -3.205 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.754 -1.667 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.998 -2.409 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.479 -3.070 3.927 1.00 0.00 H new ATOM 0 HE ARG A 16 9.187 -5.012 5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.211 -6.750 6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.530 -6.638 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.095 -3.399 5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.342 -4.756 6.398 1.00 0.00 H new TER 275 ARG A 16