USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=3 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+ 178:sc= -0.401 (180deg=-0.426) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 155:sc= -0.273 (180deg=-0.916) USER MOD Single : A 14 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.211 -0.104 -4.102 1.00 0.00 N ATOM 2 CA GLY A 1 -9.022 0.925 -5.118 1.00 0.00 C ATOM 3 C GLY A 1 -8.768 2.284 -4.475 1.00 0.00 C ATOM 4 O GLY A 1 -8.852 3.320 -5.136 1.00 0.00 O ATOM 0 H2 GLY A 1 -9.416 -1.013 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.182 0.659 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.905 0.979 -5.755 1.00 0.00 H new ATOM 8 N SER A 2 -8.455 2.274 -3.184 1.00 0.00 N ATOM 9 CA SER A 2 -8.190 3.512 -2.461 1.00 0.00 C ATOM 10 C SER A 2 -6.807 4.052 -2.812 1.00 0.00 C ATOM 11 O SER A 2 -6.498 4.278 -3.983 1.00 0.00 O ATOM 12 CB SER A 2 -8.273 3.264 -0.955 1.00 0.00 C ATOM 13 OG SER A 2 -9.522 2.657 -0.648 1.00 0.00 O ATOM 0 H SER A 2 -8.379 1.428 -2.620 1.00 0.00 H new ATOM 0 HA SER A 2 -8.940 4.248 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.454 2.620 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.169 4.204 -0.413 1.00 0.00 H new ATOM 0 HG SER A 2 -9.578 2.495 0.317 1.00 0.00 H new ATOM 19 N ARG A 3 -5.983 4.252 -1.788 1.00 0.00 N ATOM 20 CA ARG A 3 -4.628 4.763 -1.987 1.00 0.00 C ATOM 21 C ARG A 3 -3.604 3.790 -1.412 1.00 0.00 C ATOM 22 O ARG A 3 -3.807 3.223 -0.339 1.00 0.00 O ATOM 23 CB ARG A 3 -4.469 6.130 -1.312 1.00 0.00 C ATOM 24 CG ARG A 3 -5.736 6.963 -1.525 1.00 0.00 C ATOM 25 CD ARG A 3 -5.350 8.417 -1.798 1.00 0.00 C ATOM 26 NE ARG A 3 -6.546 9.248 -1.885 1.00 0.00 N ATOM 27 CZ ARG A 3 -7.316 9.231 -2.968 1.00 0.00 C ATOM 28 NH1 ARG A 3 -8.381 9.984 -3.023 1.00 0.00 N ATOM 29 NH2 ARG A 3 -7.009 8.461 -3.975 1.00 0.00 N ATOM 0 H ARG A 3 -6.227 4.069 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.457 4.871 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.283 6.000 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.606 6.652 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.310 6.565 -2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.375 6.904 -0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.700 8.784 -1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.784 8.482 -2.728 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.795 9.852 -1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.622 10.585 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.972 9.971 -3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.178 7.872 -3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.600 8.448 -4.806 1.00 0.00 H new ATOM 43 N GLY A 4 -2.505 3.598 -2.135 1.00 0.00 N ATOM 44 CA GLY A 4 -1.458 2.688 -1.686 1.00 0.00 C ATOM 45 C GLY A 4 -0.078 3.207 -2.068 1.00 0.00 C ATOM 46 O GLY A 4 0.067 4.345 -2.516 1.00 0.00 O ATOM 0 H GLY A 4 -2.317 4.056 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.517 2.566 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.614 1.703 -2.127 1.00 0.00 H new ATOM 50 N PHE A 5 0.932 2.364 -1.885 1.00 0.00 N ATOM 51 CA PHE A 5 2.302 2.738 -2.208 1.00 0.00 C ATOM 52 C PHE A 5 3.225 1.533 -2.055 1.00 0.00 C ATOM 53 O PHE A 5 2.835 0.515 -1.483 1.00 0.00 O ATOM 54 CB PHE A 5 2.769 3.861 -1.279 1.00 0.00 C ATOM 55 CG PHE A 5 4.025 4.489 -1.835 1.00 0.00 C ATOM 56 CD1 PHE A 5 5.244 4.335 -1.163 1.00 0.00 C ATOM 57 CD2 PHE A 5 3.970 5.228 -3.024 1.00 0.00 C ATOM 58 CE1 PHE A 5 6.406 4.919 -1.680 1.00 0.00 C ATOM 59 CE2 PHE A 5 5.133 5.812 -3.539 1.00 0.00 C ATOM 60 CZ PHE A 5 6.352 5.657 -2.868 1.00 0.00 C ATOM 0 H PHE A 5 0.827 1.419 -1.515 1.00 0.00 H new ATOM 0 HA PHE A 5 2.336 3.086 -3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.987 4.614 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.959 3.466 -0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.287 3.766 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.030 5.347 -3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.346 4.800 -1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.090 6.383 -4.455 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.250 6.106 -3.267 1.00 0.00 H new ATOM 70 N ARG A 6 4.445 1.655 -2.570 1.00 0.00 N ATOM 71 CA ARG A 6 5.416 0.567 -2.487 1.00 0.00 C ATOM 72 C ARG A 6 6.724 1.071 -1.886 1.00 0.00 C ATOM 73 O ARG A 6 7.344 1.993 -2.415 1.00 0.00 O ATOM 74 CB ARG A 6 5.682 -0.002 -3.893 1.00 0.00 C ATOM 75 CG ARG A 6 5.714 -1.539 -3.867 1.00 0.00 C ATOM 76 CD ARG A 6 5.695 -2.064 -5.304 1.00 0.00 C ATOM 77 NE ARG A 6 4.445 -1.693 -5.958 1.00 0.00 N ATOM 78 CZ ARG A 6 3.300 -2.286 -5.640 1.00 0.00 C ATOM 79 NH1 ARG A 6 2.195 -1.936 -6.238 1.00 0.00 N ATOM 80 NH2 ARG A 6 3.281 -3.220 -4.728 1.00 0.00 N ATOM 0 H ARG A 6 4.784 2.491 -3.047 1.00 0.00 H new ATOM 0 HA ARG A 6 5.010 -0.217 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.907 0.338 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.631 0.379 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.608 -1.888 -3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.857 -1.924 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.540 -1.656 -5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.807 -3.148 -5.305 1.00 0.00 H new ATOM 0 HE ARG A 6 4.450 -0.965 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.210 -1.206 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.316 -2.392 -5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.145 -3.494 -4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.402 -3.676 -4.483 1.00 0.00 H new ATOM 94 N PHE A 7 7.138 0.455 -0.780 1.00 0.00 N ATOM 95 CA PHE A 7 8.378 0.840 -0.112 1.00 0.00 C ATOM 96 C PHE A 7 9.271 -0.391 0.089 1.00 0.00 C ATOM 97 O PHE A 7 9.335 -0.961 1.178 1.00 0.00 O ATOM 98 CB PHE A 7 8.054 1.498 1.244 1.00 0.00 C ATOM 99 CG PHE A 7 8.410 2.974 1.207 1.00 0.00 C ATOM 100 CD1 PHE A 7 9.711 3.387 0.868 1.00 0.00 C ATOM 101 CD2 PHE A 7 7.436 3.935 1.520 1.00 0.00 C ATOM 102 CE1 PHE A 7 10.028 4.751 0.841 1.00 0.00 C ATOM 103 CE2 PHE A 7 7.758 5.297 1.492 1.00 0.00 C ATOM 104 CZ PHE A 7 9.053 5.704 1.153 1.00 0.00 C ATOM 0 H PHE A 7 6.635 -0.309 -0.330 1.00 0.00 H new ATOM 0 HA PHE A 7 8.914 1.558 -0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.995 1.377 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.610 1.002 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.466 2.652 0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.436 3.623 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.027 5.067 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 7 7.006 6.034 1.732 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.300 6.755 1.132 1.00 0.00 H new HETATM 114 N DPR A 8 9.947 -0.817 -0.948 1.00 0.00 N HETATM 115 CA DPR A 8 10.845 -2.001 -0.896 1.00 0.00 C HETATM 116 CB DPR A 8 10.863 -2.472 -2.348 1.00 0.00 C HETATM 117 CG DPR A 8 10.686 -1.232 -3.165 1.00 0.00 C HETATM 118 CD DPR A 8 9.931 -0.220 -2.294 1.00 0.00 C HETATM 119 C DPR A 8 10.308 -3.103 0.028 1.00 0.00 C HETATM 120 O DPR A 8 9.431 -3.870 -0.372 1.00 0.00 O HETATM 0 HG3 DPR A 8 11.652 -0.831 -3.471 1.00 0.00 H new HETATM 0 HG2 DPR A 8 10.128 -1.448 -4.076 1.00 0.00 H new HETATM 0 HD3 DPR A 8 8.912 -0.070 -2.651 1.00 0.00 H new HETATM 0 HD2 DPR A 8 10.419 0.755 -2.303 1.00 0.00 H new HETATM 0 HB3 DPR A 8 11.802 -2.971 -2.588 1.00 0.00 H new HETATM 0 HB2 DPR A 8 10.063 -3.187 -2.540 1.00 0.00 H new HETATM 0 HA DPR A 8 11.829 -1.761 -0.494 1.00 0.00 H new ATOM 128 N PRO A 9 10.805 -3.207 1.241 1.00 0.00 N ATOM 129 CA PRO A 9 10.341 -4.250 2.205 1.00 0.00 C ATOM 130 C PRO A 9 8.965 -3.942 2.790 1.00 0.00 C ATOM 131 O PRO A 9 8.552 -4.554 3.776 1.00 0.00 O ATOM 132 CB PRO A 9 11.408 -4.225 3.299 1.00 0.00 C ATOM 133 CG PRO A 9 11.945 -2.835 3.284 1.00 0.00 C ATOM 134 CD PRO A 9 11.856 -2.355 1.835 1.00 0.00 C ATOM 0 HA PRO A 9 10.227 -5.221 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.982 -4.473 4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.194 -4.954 3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.367 -2.188 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.976 -2.813 3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.592 -1.299 1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.807 -2.474 1.316 1.00 0.00 H new ATOM 142 N LYS A 10 8.256 -2.990 2.187 1.00 0.00 N ATOM 143 CA LYS A 10 6.930 -2.624 2.679 1.00 0.00 C ATOM 144 C LYS A 10 6.042 -2.150 1.534 1.00 0.00 C ATOM 145 O LYS A 10 6.529 -1.647 0.523 1.00 0.00 O ATOM 146 CB LYS A 10 7.060 -1.510 3.734 1.00 0.00 C ATOM 147 CG LYS A 10 5.765 -1.345 4.550 1.00 0.00 C ATOM 148 CD LYS A 10 5.779 0.018 5.241 1.00 0.00 C ATOM 149 CE LYS A 10 4.555 0.144 6.150 1.00 0.00 C ATOM 150 NZ LYS A 10 4.275 1.585 6.410 1.00 0.00 N ATOM 0 H LYS A 10 8.571 -2.466 1.371 1.00 0.00 H new ATOM 0 HA LYS A 10 6.471 -3.503 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.887 -1.740 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.302 -0.568 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.896 -1.426 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.683 -2.141 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.692 0.132 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.776 0.815 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.691 -0.327 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.732 -0.379 7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.269 1.707 6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.857 1.913 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.504 2.142 5.562 1.00 0.00 H new ATOM 164 N ILE A 11 4.736 -2.308 1.714 1.00 0.00 N ATOM 165 CA ILE A 11 3.766 -1.891 0.706 1.00 0.00 C ATOM 166 C ILE A 11 2.475 -1.425 1.376 1.00 0.00 C ATOM 167 O ILE A 11 2.039 -1.999 2.374 1.00 0.00 O ATOM 168 CB ILE A 11 3.474 -3.042 -0.271 1.00 0.00 C ATOM 169 CG1 ILE A 11 2.606 -4.103 0.413 1.00 0.00 C ATOM 170 CG2 ILE A 11 4.788 -3.685 -0.725 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.131 -3.883 0.060 1.00 0.00 C ATOM 0 H ILE A 11 4.323 -2.722 2.549 1.00 0.00 H new ATOM 0 HA ILE A 11 4.189 -1.059 0.143 1.00 0.00 H new ATOM 0 HB ILE A 11 2.944 -2.642 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.919 -5.099 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.741 -4.053 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.574 -4.500 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.405 -2.938 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.321 -4.076 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.522 -4.642 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.820 -2.894 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.001 -3.956 -1.020 1.00 0.00 H new ATOM 183 N ILE A 12 1.873 -0.374 0.823 1.00 0.00 N ATOM 184 CA ILE A 12 0.631 0.170 1.371 1.00 0.00 C ATOM 185 C ILE A 12 -0.535 -0.102 0.427 1.00 0.00 C ATOM 186 O ILE A 12 -0.450 0.159 -0.773 1.00 0.00 O ATOM 187 CB ILE A 12 0.769 1.681 1.583 1.00 0.00 C ATOM 188 CG1 ILE A 12 2.051 1.988 2.370 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.445 2.206 2.353 1.00 0.00 C ATOM 190 CD1 ILE A 12 2.097 1.159 3.657 1.00 0.00 C ATOM 0 H ILE A 12 2.223 0.116 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 12 0.436 -0.317 2.327 1.00 0.00 H new ATOM 0 HB ILE A 12 0.822 2.172 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.924 1.767 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.092 3.050 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.344 3.281 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.352 2.002 1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.504 1.709 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.012 1.387 4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.233 1.401 4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.079 0.098 3.407 1.00 0.00 H new ATOM 202 N ARG A 13 -1.627 -0.626 0.978 1.00 0.00 N ATOM 203 CA ARG A 13 -2.808 -0.925 0.175 1.00 0.00 C ATOM 204 C ARG A 13 -3.992 -1.276 1.072 1.00 0.00 C ATOM 205 O ARG A 13 -3.852 -1.374 2.291 1.00 0.00 O ATOM 206 CB ARG A 13 -2.510 -2.084 -0.785 1.00 0.00 C ATOM 207 CG ARG A 13 -2.894 -3.421 -0.139 1.00 0.00 C ATOM 208 CD ARG A 13 -2.235 -4.565 -0.911 1.00 0.00 C ATOM 209 NE ARG A 13 -3.169 -5.674 -1.064 1.00 0.00 N ATOM 210 CZ ARG A 13 -2.957 -6.636 -1.957 1.00 0.00 C ATOM 211 NH1 ARG A 13 -3.808 -7.617 -2.073 1.00 0.00 N ATOM 212 NH2 ARG A 13 -1.898 -6.597 -2.718 1.00 0.00 N ATOM 0 H ARG A 13 -1.718 -0.851 1.969 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.067 -0.040 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.065 -1.948 -1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.451 -2.088 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.575 -3.439 0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.977 -3.542 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.913 -4.214 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.342 -4.902 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.001 -5.713 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.636 -7.646 -1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.645 -8.355 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.233 -5.829 -2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.735 -7.335 -3.403 1.00 0.00 H new ATOM 226 N ASN A 14 -5.156 -1.464 0.459 1.00 0.00 N ATOM 227 CA ASN A 14 -6.358 -1.803 1.212 1.00 0.00 C ATOM 228 C ASN A 14 -7.234 -2.763 0.417 1.00 0.00 C ATOM 229 O ASN A 14 -8.241 -3.263 0.916 1.00 0.00 O ATOM 230 CB ASN A 14 -7.149 -0.534 1.529 1.00 0.00 C ATOM 231 CG ASN A 14 -6.407 0.296 2.572 1.00 0.00 C ATOM 232 OD1 ASN A 14 -6.617 0.117 3.772 1.00 0.00 O ATOM 233 ND2 ASN A 14 -5.549 1.199 2.185 1.00 0.00 N ATOM 0 H ASN A 14 -5.292 -1.388 -0.549 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.058 -2.287 2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.292 0.052 0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.140 -0.796 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.050 1.759 2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.377 1.346 1.190 1.00 0.00 H new ATOM 240 N GLU A 15 -6.840 -3.011 -0.823 1.00 0.00 N ATOM 241 CA GLU A 15 -7.591 -3.910 -1.690 1.00 0.00 C ATOM 242 C GLU A 15 -9.020 -3.408 -1.873 1.00 0.00 C ATOM 243 O GLU A 15 -9.973 -4.042 -1.422 1.00 0.00 O ATOM 244 CB GLU A 15 -7.617 -5.317 -1.088 1.00 0.00 C ATOM 245 CG GLU A 15 -8.000 -6.329 -2.169 1.00 0.00 C ATOM 246 CD GLU A 15 -6.753 -6.796 -2.912 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.737 -6.130 -2.800 1.00 0.00 O ATOM 248 OE2 GLU A 15 -6.833 -7.812 -3.582 1.00 0.00 O ATOM 0 H GLU A 15 -6.008 -2.605 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.100 -3.940 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.640 -5.564 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.332 -5.359 -0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.505 -7.183 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.703 -5.877 -2.869 1.00 0.00 H new ATOM 255 N ARG A 16 -9.160 -2.265 -2.536 1.00 0.00 N ATOM 256 CA ARG A 16 -10.479 -1.688 -2.770 1.00 0.00 C ATOM 257 C ARG A 16 -10.413 -0.619 -3.857 1.00 0.00 C ATOM 258 O ARG A 16 -11.429 -0.270 -4.459 1.00 0.00 O ATOM 259 CB ARG A 16 -11.015 -1.071 -1.478 1.00 0.00 C ATOM 260 CG ARG A 16 -12.537 -0.941 -1.565 1.00 0.00 C ATOM 261 CD ARG A 16 -13.192 -2.141 -0.879 1.00 0.00 C ATOM 262 NE ARG A 16 -12.725 -3.384 -1.483 1.00 0.00 N ATOM 263 CZ ARG A 16 -13.299 -3.876 -2.575 1.00 0.00 C ATOM 264 NH1 ARG A 16 -12.862 -4.990 -3.097 1.00 0.00 N ATOM 265 NH2 ARG A 16 -14.301 -3.246 -3.127 1.00 0.00 N ATOM 0 H ARG A 16 -8.384 -1.724 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.149 -2.483 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.741 -1.692 -0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.565 -0.092 -1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.861 -0.015 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.849 -0.890 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.956 -2.134 0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.276 -2.071 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.944 -3.884 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.080 -5.483 -2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.303 -5.368 -3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.643 -2.376 -2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.742 -3.624 -3.966 1.00 0.00 H new TER 279 ARG A 16