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 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 Set 1.1: A 1 GLY N :NH3+ 121:sc= 0.407 (180deg=0) USER MOD Set 1.2: A 14 ASN : amide:sc= 0.365 K(o=0.77,f=-3.8!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0583 USER MOD Single : A 10 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.871 1.644 0.262 1.00 0.00 N ATOM 2 CA GLY A 1 -10.472 3.003 -0.088 1.00 0.00 C ATOM 3 C GLY A 1 -9.759 3.031 -1.434 1.00 0.00 C ATOM 4 O GLY A 1 -10.001 2.183 -2.294 1.00 0.00 O ATOM 0 H3 GLY A 1 -10.430 1.374 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.351 3.646 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.815 3.404 0.684 1.00 0.00 H new ATOM 8 N SER A 2 -8.879 4.010 -1.612 1.00 0.00 N ATOM 9 CA SER A 2 -8.135 4.139 -2.860 1.00 0.00 C ATOM 10 C SER A 2 -6.766 4.761 -2.607 1.00 0.00 C ATOM 11 O SER A 2 -6.446 5.822 -3.143 1.00 0.00 O ATOM 12 CB SER A 2 -8.917 5.007 -3.846 1.00 0.00 C ATOM 13 OG SER A 2 -10.180 4.407 -4.101 1.00 0.00 O ATOM 0 H SER A 2 -8.664 4.721 -0.913 1.00 0.00 H new ATOM 0 HA SER A 2 -7.996 3.144 -3.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.053 6.009 -3.438 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.358 5.115 -4.776 1.00 0.00 H new ATOM 0 HG SER A 2 -10.685 4.962 -4.732 1.00 0.00 H new ATOM 19 N ARG A 3 -5.962 4.093 -1.787 1.00 0.00 N ATOM 20 CA ARG A 3 -4.628 4.589 -1.469 1.00 0.00 C ATOM 21 C ARG A 3 -3.645 3.432 -1.331 1.00 0.00 C ATOM 22 O ARG A 3 -3.941 2.427 -0.684 1.00 0.00 O ATOM 23 CB ARG A 3 -4.664 5.388 -0.166 1.00 0.00 C ATOM 24 CG ARG A 3 -5.795 6.418 -0.231 1.00 0.00 C ATOM 25 CD ARG A 3 -5.711 7.344 0.983 1.00 0.00 C ATOM 26 NE ARG A 3 -7.027 7.494 1.595 1.00 0.00 N ATOM 27 CZ ARG A 3 -8.058 7.964 0.900 1.00 0.00 C ATOM 28 NH1 ARG A 3 -9.226 8.089 1.469 1.00 0.00 N ATOM 29 NH2 ARG A 3 -7.903 8.301 -0.352 1.00 0.00 N ATOM 0 H ARG A 3 -6.208 3.213 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.299 5.236 -2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.816 4.718 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.709 5.890 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.720 6.999 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.761 5.913 -0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.008 6.939 1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.330 8.319 0.680 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.158 7.234 2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.348 7.826 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.017 8.450 0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.990 8.204 -0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.694 8.662 -0.885 1.00 0.00 H new ATOM 43 N GLY A 4 -2.474 3.578 -1.944 1.00 0.00 N ATOM 44 CA GLY A 4 -1.456 2.537 -1.882 1.00 0.00 C ATOM 45 C GLY A 4 -0.080 3.098 -2.224 1.00 0.00 C ATOM 46 O GLY A 4 0.039 4.219 -2.719 1.00 0.00 O ATOM 0 H GLY A 4 -2.209 4.401 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.437 2.101 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.708 1.735 -2.575 1.00 0.00 H new ATOM 50 N PHE A 5 0.956 2.311 -1.956 1.00 0.00 N ATOM 51 CA PHE A 5 2.321 2.737 -2.239 1.00 0.00 C ATOM 52 C PHE A 5 3.282 1.559 -2.118 1.00 0.00 C ATOM 53 O PHE A 5 2.968 0.555 -1.479 1.00 0.00 O ATOM 54 CB PHE A 5 2.733 3.838 -1.261 1.00 0.00 C ATOM 55 CG PHE A 5 3.861 4.648 -1.854 1.00 0.00 C ATOM 56 CD1 PHE A 5 5.169 4.476 -1.386 1.00 0.00 C ATOM 57 CD2 PHE A 5 3.598 5.570 -2.874 1.00 0.00 C ATOM 58 CE1 PHE A 5 6.214 5.227 -1.936 1.00 0.00 C ATOM 59 CE2 PHE A 5 4.643 6.322 -3.425 1.00 0.00 C ATOM 60 CZ PHE A 5 5.951 6.151 -2.955 1.00 0.00 C ATOM 0 H PHE A 5 0.878 1.380 -1.546 1.00 0.00 H new ATOM 0 HA PHE A 5 2.362 3.122 -3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.882 4.484 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.047 3.398 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.372 3.763 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.589 5.701 -3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.223 5.094 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.440 7.033 -4.212 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.757 6.732 -3.378 1.00 0.00 H new ATOM 70 N ARG A 6 4.452 1.692 -2.736 1.00 0.00 N ATOM 71 CA ARG A 6 5.458 0.635 -2.696 1.00 0.00 C ATOM 72 C ARG A 6 6.704 1.116 -1.957 1.00 0.00 C ATOM 73 O ARG A 6 7.291 2.138 -2.317 1.00 0.00 O ATOM 74 CB ARG A 6 5.837 0.229 -4.125 1.00 0.00 C ATOM 75 CG ARG A 6 5.575 -1.266 -4.328 1.00 0.00 C ATOM 76 CD ARG A 6 4.068 -1.533 -4.296 1.00 0.00 C ATOM 77 NE ARG A 6 3.586 -1.859 -5.634 1.00 0.00 N ATOM 78 CZ ARG A 6 2.296 -1.764 -5.941 1.00 0.00 C ATOM 79 NH1 ARG A 6 1.889 -2.061 -7.144 1.00 0.00 N ATOM 80 NH2 ARG A 6 1.437 -1.375 -5.038 1.00 0.00 N ATOM 0 H ARG A 6 4.726 2.518 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 6 5.043 -0.224 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.258 0.810 -4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.888 0.451 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.992 -1.592 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.073 -1.842 -3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.851 -2.354 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.544 -0.656 -3.916 1.00 0.00 H new ATOM 0 HE ARG A 6 4.250 -2.165 -6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.560 -2.366 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.899 -1.988 -7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.756 -1.144 -4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.447 -1.302 -5.274 1.00 0.00 H new ATOM 94 N PHE A 7 7.103 0.376 -0.925 1.00 0.00 N ATOM 95 CA PHE A 7 8.283 0.741 -0.148 1.00 0.00 C ATOM 96 C PHE A 7 9.153 -0.495 0.110 1.00 0.00 C ATOM 97 O PHE A 7 9.199 -1.031 1.216 1.00 0.00 O ATOM 98 CB PHE A 7 7.846 1.394 1.178 1.00 0.00 C ATOM 99 CG PHE A 7 8.300 2.842 1.213 1.00 0.00 C ATOM 100 CD1 PHE A 7 9.658 3.167 1.047 1.00 0.00 C ATOM 101 CD2 PHE A 7 7.360 3.865 1.416 1.00 0.00 C ATOM 102 CE1 PHE A 7 10.068 4.505 1.083 1.00 0.00 C ATOM 103 CE2 PHE A 7 7.775 5.202 1.452 1.00 0.00 C ATOM 104 CZ PHE A 7 9.127 5.521 1.286 1.00 0.00 C ATOM 0 H PHE A 7 6.631 -0.472 -0.610 1.00 0.00 H new ATOM 0 HA PHE A 7 8.879 1.459 -0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.762 1.341 1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.273 0.849 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.385 2.384 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.316 3.621 1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.111 4.753 0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 7 7.051 5.988 1.608 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.445 6.553 1.315 1.00 0.00 H new HETATM 114 N DPR A 8 9.836 -0.955 -0.906 1.00 0.00 N HETATM 115 CA DPR A 8 10.724 -2.145 -0.819 1.00 0.00 C HETATM 116 CB DPR A 8 10.720 -2.665 -2.255 1.00 0.00 C HETATM 117 CG DPR A 8 10.552 -1.450 -3.113 1.00 0.00 C HETATM 118 CD DPR A 8 9.834 -0.391 -2.265 1.00 0.00 C HETATM 119 C DPR A 8 10.190 -3.208 0.149 1.00 0.00 C HETATM 120 O DPR A 8 9.317 -3.996 -0.216 1.00 0.00 O HETATM 0 HG3 DPR A 8 11.520 -1.081 -3.451 1.00 0.00 H new HETATM 0 HG2 DPR A 8 9.972 -1.686 -4.005 1.00 0.00 H new HETATM 0 HD3 DPR A 8 8.819 -0.216 -2.622 1.00 0.00 H new HETATM 0 HD2 DPR A 8 10.354 0.566 -2.300 1.00 0.00 H new HETATM 0 HB3 DPR A 8 11.649 -3.186 -2.488 1.00 0.00 H new HETATM 0 HB2 DPR A 8 9.908 -3.375 -2.414 1.00 0.00 H new HETATM 0 HA DPR A 8 11.714 -1.901 -0.435 1.00 0.00 H new ATOM 128 N PRO A 9 10.686 -3.254 1.367 1.00 0.00 N ATOM 129 CA PRO A 9 10.230 -4.255 2.377 1.00 0.00 C ATOM 130 C PRO A 9 8.835 -3.948 2.918 1.00 0.00 C ATOM 131 O PRO A 9 8.397 -4.551 3.898 1.00 0.00 O ATOM 132 CB PRO A 9 11.275 -4.153 3.488 1.00 0.00 C ATOM 133 CG PRO A 9 11.805 -2.762 3.395 1.00 0.00 C ATOM 134 CD PRO A 9 11.732 -2.370 1.919 1.00 0.00 C ATOM 0 HA PRO A 9 10.149 -5.253 1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.831 -4.341 4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.069 -4.887 3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.215 -2.080 4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.831 -2.712 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.471 -1.319 1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.688 -2.521 1.418 1.00 0.00 H new ATOM 142 N LYS A 10 8.140 -3.011 2.281 1.00 0.00 N ATOM 143 CA LYS A 10 6.798 -2.648 2.725 1.00 0.00 C ATOM 144 C LYS A 10 6.037 -1.939 1.614 1.00 0.00 C ATOM 145 O LYS A 10 6.625 -1.248 0.785 1.00 0.00 O ATOM 146 CB LYS A 10 6.889 -1.736 3.959 1.00 0.00 C ATOM 147 CG LYS A 10 5.515 -1.549 4.628 1.00 0.00 C ATOM 148 CD LYS A 10 5.566 -0.318 5.535 1.00 0.00 C ATOM 149 CE LYS A 10 4.252 -0.202 6.311 1.00 0.00 C ATOM 150 NZ LYS A 10 4.006 1.227 6.657 1.00 0.00 N ATOM 0 H LYS A 10 8.477 -2.496 1.468 1.00 0.00 H new ATOM 0 HA LYS A 10 6.260 -3.559 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.589 -2.163 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.287 -0.764 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.741 -1.427 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.255 -2.434 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.404 -0.398 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.729 0.580 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.428 -0.590 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.298 -0.805 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.902 1.322 7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.808 1.805 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.136 1.552 6.190 1.00 0.00 H new ATOM 164 N ILE A 11 4.723 -2.114 1.620 1.00 0.00 N ATOM 165 CA ILE A 11 3.859 -1.490 0.624 1.00 0.00 C ATOM 166 C ILE A 11 2.501 -1.163 1.240 1.00 0.00 C ATOM 167 O ILE A 11 2.023 -1.873 2.125 1.00 0.00 O ATOM 168 CB ILE A 11 3.683 -2.416 -0.593 1.00 0.00 C ATOM 169 CG1 ILE A 11 2.717 -3.556 -0.253 1.00 0.00 C ATOM 170 CG2 ILE A 11 5.035 -3.010 -1.000 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.311 -3.213 -0.757 1.00 0.00 C ATOM 0 H ILE A 11 4.229 -2.685 2.306 1.00 0.00 H new ATOM 0 HA ILE A 11 4.326 -0.564 0.288 1.00 0.00 H new ATOM 0 HB ILE A 11 3.278 -1.830 -1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.060 -4.484 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.697 -3.719 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.901 -3.664 -1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.723 -2.205 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.445 -3.584 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.628 -4.027 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.967 -2.295 -0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.336 -3.073 -1.838 1.00 0.00 H new ATOM 183 N ILE A 12 1.882 -0.086 0.765 1.00 0.00 N ATOM 184 CA ILE A 12 0.577 0.322 1.276 1.00 0.00 C ATOM 185 C ILE A 12 -0.524 -0.081 0.301 1.00 0.00 C ATOM 186 O ILE A 12 -0.332 -0.051 -0.915 1.00 0.00 O ATOM 187 CB ILE A 12 0.545 1.838 1.485 1.00 0.00 C ATOM 188 CG1 ILE A 12 1.795 2.284 2.254 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.707 2.220 2.277 1.00 0.00 C ATOM 190 CD1 ILE A 12 1.965 1.439 3.520 1.00 0.00 C ATOM 0 H ILE A 12 2.259 0.516 0.033 1.00 0.00 H new ATOM 0 HA ILE A 12 0.408 -0.178 2.230 1.00 0.00 H new ATOM 0 HB ILE A 12 0.526 2.333 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.676 2.184 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.711 3.338 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.728 3.300 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.595 1.912 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.691 1.721 3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.855 1.764 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.090 1.561 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.070 0.389 3.245 1.00 0.00 H new ATOM 202 N ARG A 13 -1.677 -0.459 0.842 1.00 0.00 N ATOM 203 CA ARG A 13 -2.803 -0.866 0.009 1.00 0.00 C ATOM 204 C ARG A 13 -4.087 -0.922 0.831 1.00 0.00 C ATOM 205 O ARG A 13 -4.048 -0.966 2.060 1.00 0.00 O ATOM 206 CB ARG A 13 -2.522 -2.238 -0.617 1.00 0.00 C ATOM 207 CG ARG A 13 -3.026 -3.351 0.308 1.00 0.00 C ATOM 208 CD ARG A 13 -2.365 -4.674 -0.083 1.00 0.00 C ATOM 209 NE ARG A 13 -2.110 -4.707 -1.519 1.00 0.00 N ATOM 210 CZ ARG A 13 -1.401 -5.687 -2.069 1.00 0.00 C ATOM 211 NH1 ARG A 13 -1.185 -5.694 -3.356 1.00 0.00 N ATOM 212 NH2 ARG A 13 -0.922 -6.644 -1.321 1.00 0.00 N ATOM 0 H ARG A 13 -1.856 -0.492 1.846 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.931 -0.129 -0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.012 -2.311 -1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.452 -2.355 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.795 -3.109 1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.110 -3.437 0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.429 -4.796 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.009 -5.507 0.198 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.482 -3.965 -2.111 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.560 -4.947 -3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.641 -6.447 -3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.092 -6.639 -0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.378 -7.397 -1.742 1.00 0.00 H new ATOM 226 N ASN A 14 -5.224 -0.923 0.142 1.00 0.00 N ATOM 227 CA ASN A 14 -6.515 -0.974 0.818 1.00 0.00 C ATOM 228 C ASN A 14 -7.462 -1.922 0.091 1.00 0.00 C ATOM 229 O ASN A 14 -7.070 -2.601 -0.858 1.00 0.00 O ATOM 230 CB ASN A 14 -7.131 0.425 0.872 1.00 0.00 C ATOM 231 CG ASN A 14 -7.702 0.690 2.262 1.00 0.00 C ATOM 232 OD1 ASN A 14 -8.916 0.809 2.422 1.00 0.00 O ATOM 233 ND2 ASN A 14 -6.893 0.787 3.281 1.00 0.00 N ATOM 0 H ASN A 14 -5.278 -0.889 -0.876 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.360 -1.341 1.832 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.376 1.173 0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.918 0.514 0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.267 0.962 4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.887 0.688 3.145 1.00 0.00 H new ATOM 240 N GLU A 15 -8.712 -1.965 0.542 1.00 0.00 N ATOM 241 CA GLU A 15 -9.707 -2.835 -0.074 1.00 0.00 C ATOM 242 C GLU A 15 -11.044 -2.114 -0.200 1.00 0.00 C ATOM 243 O GLU A 15 -11.933 -2.560 -0.928 1.00 0.00 O ATOM 244 CB GLU A 15 -9.885 -4.101 0.766 1.00 0.00 C ATOM 245 CG GLU A 15 -10.418 -5.230 -0.118 1.00 0.00 C ATOM 246 CD GLU A 15 -11.071 -6.305 0.745 1.00 0.00 C ATOM 247 OE1 GLU A 15 -11.851 -7.074 0.208 1.00 0.00 O ATOM 248 OE2 GLU A 15 -10.781 -6.342 1.929 1.00 0.00 O ATOM 0 H GLU A 15 -9.058 -1.412 1.326 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.358 -3.106 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.933 -4.392 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.576 -3.911 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.142 -4.834 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.604 -5.663 -0.699 1.00 0.00 H new ATOM 255 N ARG A 16 -11.179 -0.999 0.515 1.00 0.00 N ATOM 256 CA ARG A 16 -12.411 -0.217 0.480 1.00 0.00 C ATOM 257 C ARG A 16 -12.119 1.225 0.078 1.00 0.00 C ATOM 258 O ARG A 16 -13.005 1.940 -0.391 1.00 0.00 O ATOM 259 CB ARG A 16 -13.080 -0.238 1.857 1.00 0.00 C ATOM 260 CG ARG A 16 -14.536 0.217 1.728 1.00 0.00 C ATOM 261 CD ARG A 16 -15.226 0.111 3.089 1.00 0.00 C ATOM 262 NE ARG A 16 -15.574 -1.277 3.372 1.00 0.00 N ATOM 263 CZ ARG A 16 -16.534 -1.897 2.693 1.00 0.00 C ATOM 264 NH1 ARG A 16 -16.828 -3.138 2.966 1.00 0.00 N ATOM 265 NH2 ARG A 16 -17.181 -1.265 1.752 1.00 0.00 N ATOM 0 H ARG A 16 -10.453 -0.619 1.123 1.00 0.00 H new ATOM 0 HA ARG A 16 -13.080 -0.660 -0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -13.038 -1.243 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.543 0.417 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.576 1.245 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.057 -0.399 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.568 0.495 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -16.125 0.728 3.098 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.072 -1.780 4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.321 -3.632 3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.565 -3.614 2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.950 -0.295 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.918 -1.741 1.231 1.00 0.00 H new TER 279 ARG A 16