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 Single : A 1 GLY N :NH3+ -160:sc= -0.177 (180deg=-0.207) USER MOD Single : A 2 SER OG : rot -56:sc= 0.314 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= -0.48 (180deg=-1.34) USER MOD Single : A 14 ASN : amide:sc= -2.43! C(o=-2.4!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.464 1.872 0.215 1.00 0.00 N ATOM 2 CA GLY A 1 -10.059 3.273 0.186 1.00 0.00 C ATOM 3 C GLY A 1 -9.469 3.640 -1.171 1.00 0.00 C ATOM 4 O GLY A 1 -9.613 4.771 -1.636 1.00 0.00 O ATOM 0 H3 GLY A 1 -11.150 1.725 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.919 3.909 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.324 3.460 0.969 1.00 0.00 H new ATOM 8 N SER A 2 -8.803 2.678 -1.803 1.00 0.00 N ATOM 9 CA SER A 2 -8.195 2.912 -3.107 1.00 0.00 C ATOM 10 C SER A 2 -6.889 3.686 -2.958 1.00 0.00 C ATOM 11 O SER A 2 -6.586 4.573 -3.757 1.00 0.00 O ATOM 12 CB SER A 2 -9.158 3.697 -3.999 1.00 0.00 C ATOM 13 OG SER A 2 -8.893 5.087 -3.869 1.00 0.00 O ATOM 0 H SER A 2 -8.672 1.736 -1.436 1.00 0.00 H new ATOM 0 HA SER A 2 -7.981 1.947 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.042 3.389 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.189 3.484 -3.716 1.00 0.00 H new ATOM 0 HG SER A 2 -8.959 5.346 -2.926 1.00 0.00 H new ATOM 19 N ARG A 3 -6.121 3.345 -1.929 1.00 0.00 N ATOM 20 CA ARG A 3 -4.848 4.015 -1.682 1.00 0.00 C ATOM 21 C ARG A 3 -3.772 3.001 -1.310 1.00 0.00 C ATOM 22 O ARG A 3 -4.044 2.015 -0.624 1.00 0.00 O ATOM 23 CB ARG A 3 -5.004 5.034 -0.552 1.00 0.00 C ATOM 24 CG ARG A 3 -6.292 5.834 -0.759 1.00 0.00 C ATOM 25 CD ARG A 3 -6.197 7.161 -0.006 1.00 0.00 C ATOM 26 NE ARG A 3 -7.497 7.823 0.013 1.00 0.00 N ATOM 27 CZ ARG A 3 -7.636 9.051 0.502 1.00 0.00 C ATOM 28 NH1 ARG A 3 -8.810 9.621 0.507 1.00 0.00 N ATOM 29 NH2 ARG A 3 -6.599 9.685 0.978 1.00 0.00 N ATOM 0 H ARG A 3 -6.355 2.614 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.547 4.529 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.031 4.524 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.146 5.705 -0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.451 6.018 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.149 5.262 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.855 6.985 1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.459 7.806 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.313 7.335 -0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.620 9.124 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.918 10.563 0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.682 9.238 0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.706 10.627 1.353 1.00 0.00 H new ATOM 43 N GLY A 4 -2.549 3.249 -1.766 1.00 0.00 N ATOM 44 CA GLY A 4 -1.438 2.350 -1.476 1.00 0.00 C ATOM 45 C GLY A 4 -0.102 3.051 -1.694 1.00 0.00 C ATOM 46 O GLY A 4 -0.059 4.232 -2.039 1.00 0.00 O ATOM 0 H GLY A 4 -2.303 4.059 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.507 2.001 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.500 1.470 -2.116 1.00 0.00 H new ATOM 50 N PHE A 5 0.985 2.315 -1.489 1.00 0.00 N ATOM 51 CA PHE A 5 2.319 2.873 -1.664 1.00 0.00 C ATOM 52 C PHE A 5 3.373 1.781 -1.529 1.00 0.00 C ATOM 53 O PHE A 5 3.497 1.153 -0.477 1.00 0.00 O ATOM 54 CB PHE A 5 2.572 3.957 -0.615 1.00 0.00 C ATOM 55 CG PHE A 5 3.697 4.853 -1.076 1.00 0.00 C ATOM 56 CD1 PHE A 5 5.019 4.393 -1.040 1.00 0.00 C ATOM 57 CD2 PHE A 5 3.417 6.145 -1.539 1.00 0.00 C ATOM 58 CE1 PHE A 5 6.061 5.226 -1.468 1.00 0.00 C ATOM 59 CE2 PHE A 5 4.459 6.975 -1.966 1.00 0.00 C ATOM 60 CZ PHE A 5 5.781 6.516 -1.931 1.00 0.00 C ATOM 0 H PHE A 5 0.968 1.336 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 5 2.384 3.309 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.667 4.544 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.826 3.500 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.235 3.397 -0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.397 6.500 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.081 4.872 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.243 7.971 -2.323 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.585 7.158 -2.261 1.00 0.00 H new ATOM 70 N ARG A 6 4.131 1.558 -2.597 1.00 0.00 N ATOM 71 CA ARG A 6 5.172 0.537 -2.581 1.00 0.00 C ATOM 72 C ARG A 6 6.462 1.107 -1.996 1.00 0.00 C ATOM 73 O ARG A 6 6.979 2.114 -2.481 1.00 0.00 O ATOM 74 CB ARG A 6 5.435 0.039 -4.014 1.00 0.00 C ATOM 75 CG ARG A 6 5.800 -1.453 -4.007 1.00 0.00 C ATOM 76 CD ARG A 6 5.897 -1.957 -5.448 1.00 0.00 C ATOM 77 NE ARG A 6 4.860 -2.951 -5.707 1.00 0.00 N ATOM 78 CZ ARG A 6 3.648 -2.595 -6.125 1.00 0.00 C ATOM 79 NH1 ARG A 6 2.742 -3.507 -6.345 1.00 0.00 N ATOM 80 NH2 ARG A 6 3.364 -1.334 -6.316 1.00 0.00 N ATOM 0 H ARG A 6 4.046 2.066 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 6 4.837 -0.295 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.550 0.200 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.244 0.615 -4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.749 -1.605 -3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.047 -2.021 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.791 -1.122 -6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.880 -2.393 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 6 5.069 -3.939 -5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.963 -4.492 -6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.812 -3.236 -6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.072 -0.620 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.434 -1.064 -6.636 1.00 0.00 H new ATOM 94 N PHE A 7 6.975 0.455 -0.955 1.00 0.00 N ATOM 95 CA PHE A 7 8.206 0.907 -0.313 1.00 0.00 C ATOM 96 C PHE A 7 9.154 -0.279 -0.091 1.00 0.00 C ATOM 97 O PHE A 7 9.302 -0.781 1.023 1.00 0.00 O ATOM 98 CB PHE A 7 7.871 1.595 1.024 1.00 0.00 C ATOM 99 CG PHE A 7 8.179 3.079 0.932 1.00 0.00 C ATOM 100 CD1 PHE A 7 9.472 3.518 0.596 1.00 0.00 C ATOM 101 CD2 PHE A 7 7.170 4.019 1.188 1.00 0.00 C ATOM 102 CE1 PHE A 7 9.746 4.889 0.516 1.00 0.00 C ATOM 103 CE2 PHE A 7 7.449 5.389 1.105 1.00 0.00 C ATOM 104 CZ PHE A 7 8.737 5.823 0.771 1.00 0.00 C ATOM 0 H PHE A 7 6.561 -0.381 -0.541 1.00 0.00 H new ATOM 0 HA PHE A 7 8.707 1.626 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.818 1.447 1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.449 1.144 1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.253 2.798 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.176 3.686 1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.739 5.226 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.670 6.111 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.952 6.880 0.710 1.00 0.00 H new HETATM 114 N DPR A 8 9.790 -0.732 -1.141 1.00 0.00 N HETATM 115 CA DPR A 8 10.742 -1.873 -1.087 1.00 0.00 C HETATM 116 CB DPR A 8 10.657 -2.439 -2.504 1.00 0.00 C HETATM 117 CG DPR A 8 10.365 -1.262 -3.381 1.00 0.00 C HETATM 118 CD DPR A 8 9.666 -0.209 -2.510 1.00 0.00 C HETATM 119 C DPR A 8 10.338 -2.932 -0.051 1.00 0.00 C HETATM 120 O DPR A 8 9.490 -3.779 -0.329 1.00 0.00 O HETATM 0 HG3 DPR A 8 11.285 -0.861 -3.805 1.00 0.00 H new HETATM 0 HG2 DPR A 8 9.729 -1.553 -4.217 1.00 0.00 H new HETATM 0 HD3 DPR A 8 8.621 -0.086 -2.796 1.00 0.00 H new HETATM 0 HD2 DPR A 8 10.141 0.767 -2.608 1.00 0.00 H new HETATM 0 HB3 DPR A 8 11.591 -2.922 -2.792 1.00 0.00 H new HETATM 0 HB2 DPR A 8 9.872 -3.191 -2.581 1.00 0.00 H new HETATM 0 HA DPR A 8 11.744 -1.567 -0.785 1.00 0.00 H new ATOM 128 N PRO A 9 10.921 -2.906 1.128 1.00 0.00 N ATOM 129 CA PRO A 9 10.596 -3.895 2.199 1.00 0.00 C ATOM 130 C PRO A 9 9.217 -3.662 2.814 1.00 0.00 C ATOM 131 O PRO A 9 8.879 -4.255 3.839 1.00 0.00 O ATOM 132 CB PRO A 9 11.696 -3.680 3.240 1.00 0.00 C ATOM 133 CG PRO A 9 12.136 -2.267 3.057 1.00 0.00 C ATOM 134 CD PRO A 9 11.949 -1.945 1.575 1.00 0.00 C ATOM 0 HA PRO A 9 10.560 -4.912 1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.321 -3.848 4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.523 -4.373 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.546 -1.593 3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.178 -2.143 3.353 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.623 -0.915 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.879 -2.068 1.019 1.00 0.00 H new ATOM 142 N LYS A 10 8.426 -2.798 2.187 1.00 0.00 N ATOM 143 CA LYS A 10 7.089 -2.506 2.694 1.00 0.00 C ATOM 144 C LYS A 10 6.192 -2.003 1.572 1.00 0.00 C ATOM 145 O LYS A 10 6.661 -1.391 0.616 1.00 0.00 O ATOM 146 CB LYS A 10 7.175 -1.446 3.804 1.00 0.00 C ATOM 147 CG LYS A 10 5.849 -1.322 4.576 1.00 0.00 C ATOM 148 CD LYS A 10 5.828 0.014 5.321 1.00 0.00 C ATOM 149 CE LYS A 10 4.671 0.023 6.323 1.00 0.00 C ATOM 150 NZ LYS A 10 4.228 1.427 6.556 1.00 0.00 N ATOM 0 H LYS A 10 8.682 -2.293 1.338 1.00 0.00 H new ATOM 0 HA LYS A 10 6.661 -3.423 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.976 -1.707 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.433 -0.481 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.006 -1.382 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.745 -2.147 5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.774 0.167 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.716 0.835 4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.842 -0.573 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.986 -0.431 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.226 1.433 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.800 1.850 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.349 1.979 5.683 1.00 0.00 H new ATOM 164 N ILE A 11 4.899 -2.266 1.706 1.00 0.00 N ATOM 165 CA ILE A 11 3.923 -1.837 0.709 1.00 0.00 C ATOM 166 C ILE A 11 2.591 -1.508 1.380 1.00 0.00 C ATOM 167 O ILE A 11 2.156 -2.204 2.299 1.00 0.00 O ATOM 168 CB ILE A 11 3.732 -2.927 -0.360 1.00 0.00 C ATOM 169 CG1 ILE A 11 2.921 -4.094 0.212 1.00 0.00 C ATOM 170 CG2 ILE A 11 5.095 -3.445 -0.827 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.448 -3.947 -0.181 1.00 0.00 C ATOM 0 H ILE A 11 4.500 -2.774 2.495 1.00 0.00 H new ATOM 0 HA ILE A 11 4.297 -0.938 0.220 1.00 0.00 H new ATOM 0 HB ILE A 11 3.196 -2.494 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.314 -5.039 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.016 -4.117 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.951 -4.216 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.671 -2.623 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.635 -3.865 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.877 -4.780 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.057 -3.010 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.360 -3.946 -1.267 1.00 0.00 H new ATOM 183 N ILE A 12 1.949 -0.438 0.917 1.00 0.00 N ATOM 184 CA ILE A 12 0.663 -0.020 1.474 1.00 0.00 C ATOM 185 C ILE A 12 -0.453 -0.263 0.463 1.00 0.00 C ATOM 186 O ILE A 12 -0.297 0.021 -0.724 1.00 0.00 O ATOM 187 CB ILE A 12 0.704 1.467 1.840 1.00 0.00 C ATOM 188 CG1 ILE A 12 1.945 1.764 2.694 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.559 1.842 2.621 1.00 0.00 C ATOM 190 CD1 ILE A 12 2.008 0.810 3.892 1.00 0.00 C ATOM 0 H ILE A 12 2.295 0.153 0.161 1.00 0.00 H new ATOM 0 HA ILE A 12 0.468 -0.606 2.372 1.00 0.00 H new ATOM 0 HB ILE A 12 0.752 2.056 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.845 1.658 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.916 2.796 3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.526 2.900 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.438 1.646 2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.613 1.247 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.893 1.033 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.116 0.937 4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.060 -0.219 3.536 1.00 0.00 H new ATOM 202 N ARG A 13 -1.575 -0.790 0.941 1.00 0.00 N ATOM 203 CA ARG A 13 -2.709 -1.067 0.066 1.00 0.00 C ATOM 204 C ARG A 13 -3.830 -1.751 0.843 1.00 0.00 C ATOM 205 O ARG A 13 -3.576 -2.566 1.730 1.00 0.00 O ATOM 206 CB ARG A 13 -2.267 -1.961 -1.096 1.00 0.00 C ATOM 207 CG ARG A 13 -3.477 -2.707 -1.665 1.00 0.00 C ATOM 208 CD ARG A 13 -3.156 -3.197 -3.078 1.00 0.00 C ATOM 209 NE ARG A 13 -4.312 -3.875 -3.652 1.00 0.00 N ATOM 210 CZ ARG A 13 -5.395 -3.195 -4.018 1.00 0.00 C ATOM 211 NH1 ARG A 13 -6.418 -3.825 -4.528 1.00 0.00 N ATOM 212 NH2 ARG A 13 -5.434 -1.900 -3.867 1.00 0.00 N ATOM 0 H ARG A 13 -1.724 -1.032 1.921 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.081 -0.121 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.801 -1.357 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.517 -2.674 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.731 -3.552 -1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.346 -2.050 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.871 -2.354 -3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.304 -3.876 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.290 -4.887 -3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.386 -4.838 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.249 -3.305 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.634 -1.409 -3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.265 -1.379 -4.148 1.00 0.00 H new ATOM 226 N ASN A 14 -5.070 -1.411 0.500 1.00 0.00 N ATOM 227 CA ASN A 14 -6.232 -1.995 1.164 1.00 0.00 C ATOM 228 C ASN A 14 -7.195 -2.580 0.134 1.00 0.00 C ATOM 229 O ASN A 14 -6.778 -3.282 -0.788 1.00 0.00 O ATOM 230 CB ASN A 14 -6.948 -0.927 1.994 1.00 0.00 C ATOM 231 CG ASN A 14 -5.940 -0.176 2.857 1.00 0.00 C ATOM 232 OD1 ASN A 14 -4.801 -0.617 3.010 1.00 0.00 O ATOM 233 ND2 ASN A 14 -6.293 0.941 3.433 1.00 0.00 N ATOM 0 H ASN A 14 -5.295 -0.737 -0.231 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.893 -2.795 1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.467 -0.230 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.705 -1.392 2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.624 1.450 4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.237 1.305 3.305 1.00 0.00 H new ATOM 240 N GLU A 15 -8.482 -2.287 0.294 1.00 0.00 N ATOM 241 CA GLU A 15 -9.488 -2.793 -0.632 1.00 0.00 C ATOM 242 C GLU A 15 -10.824 -2.090 -0.413 1.00 0.00 C ATOM 243 O GLU A 15 -11.873 -2.732 -0.363 1.00 0.00 O ATOM 244 CB GLU A 15 -9.664 -4.300 -0.439 1.00 0.00 C ATOM 245 CG GLU A 15 -10.207 -4.919 -1.729 1.00 0.00 C ATOM 246 CD GLU A 15 -10.416 -6.419 -1.540 1.00 0.00 C ATOM 247 OE1 GLU A 15 -11.344 -6.946 -2.132 1.00 0.00 O ATOM 248 OE2 GLU A 15 -9.646 -7.017 -0.808 1.00 0.00 O ATOM 0 H GLU A 15 -8.850 -1.708 1.049 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.150 -2.594 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.710 -4.758 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.349 -4.494 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.149 -4.444 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.511 -4.741 -2.549 1.00 0.00 H new ATOM 255 N ARG A 16 -10.777 -0.768 -0.282 1.00 0.00 N ATOM 256 CA ARG A 16 -11.991 0.010 -0.070 1.00 0.00 C ATOM 257 C ARG A 16 -11.689 1.504 -0.144 1.00 0.00 C ATOM 258 O ARG A 16 -12.547 2.303 -0.519 1.00 0.00 O ATOM 259 CB ARG A 16 -12.591 -0.322 1.298 1.00 0.00 C ATOM 260 CG ARG A 16 -14.019 0.221 1.375 1.00 0.00 C ATOM 261 CD ARG A 16 -15.014 -0.919 1.148 1.00 0.00 C ATOM 262 NE ARG A 16 -14.776 -1.545 -0.147 1.00 0.00 N ATOM 263 CZ ARG A 16 -15.141 -2.801 -0.382 1.00 0.00 C ATOM 264 NH1 ARG A 16 -14.915 -3.340 -1.549 1.00 0.00 N ATOM 265 NH2 ARG A 16 -15.727 -3.497 0.554 1.00 0.00 N ATOM 0 H ARG A 16 -9.919 -0.218 -0.319 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.705 -0.245 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.592 -1.401 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.982 0.114 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.192 0.680 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.164 0.999 0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.917 -1.660 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -16.033 -0.536 1.193 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.321 -1.009 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.458 -2.797 -2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.196 -4.304 -1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.905 -3.077 1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.007 -4.461 0.373 1.00 0.00 H new TER 279 ARG A 16