USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 141 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.477! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.45! C(o=-2.4!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.198 -1.563 0.355 1.00 0.00 N ATOM 2 CA GLY A 1 -8.426 -2.423 -0.800 1.00 0.00 C ATOM 3 C GLY A 1 -7.614 -3.709 -0.691 1.00 0.00 C ATOM 4 O GLY A 1 -8.162 -4.778 -0.423 1.00 0.00 O ATOM 0 H3 GLY A 1 -8.761 -0.694 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.486 -2.663 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.154 -1.893 -1.712 1.00 0.00 H new ATOM 8 N SER A 2 -6.306 -3.597 -0.900 1.00 0.00 N ATOM 9 CA SER A 2 -5.424 -4.755 -0.825 1.00 0.00 C ATOM 10 C SER A 2 -4.187 -4.430 0.001 1.00 0.00 C ATOM 11 O SER A 2 -4.236 -4.395 1.231 1.00 0.00 O ATOM 12 CB SER A 2 -5.007 -5.185 -2.232 1.00 0.00 C ATOM 13 OG SER A 2 -4.284 -4.129 -2.851 1.00 0.00 O ATOM 0 H SER A 2 -5.835 -2.720 -1.122 1.00 0.00 H new ATOM 0 HA SER A 2 -5.963 -5.571 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.391 -6.083 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.887 -5.435 -2.824 1.00 0.00 H new ATOM 0 HG SER A 2 -4.014 -4.402 -3.753 1.00 0.00 H new ATOM 19 N LYS A 3 -3.082 -4.194 -0.687 1.00 0.00 N ATOM 20 CA LYS A 3 -1.826 -3.872 -0.018 1.00 0.00 C ATOM 21 C LYS A 3 -1.586 -2.365 -0.023 1.00 0.00 C ATOM 22 O LYS A 3 -0.502 -1.901 -0.372 1.00 0.00 O ATOM 23 CB LYS A 3 -0.665 -4.577 -0.720 1.00 0.00 C ATOM 24 CG LYS A 3 -0.695 -6.070 -0.383 1.00 0.00 C ATOM 25 CD LYS A 3 0.318 -6.363 0.727 1.00 0.00 C ATOM 26 CE LYS A 3 0.203 -7.829 1.148 1.00 0.00 C ATOM 27 NZ LYS A 3 1.139 -8.096 2.276 1.00 0.00 N ATOM 0 H LYS A 3 -3.026 -4.218 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.889 -4.215 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.738 -4.435 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.283 -4.141 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.695 -6.362 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.460 -6.659 -1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.328 -6.152 0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.135 -5.712 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.820 -8.053 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.437 -8.480 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.061 -9.093 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.114 -7.898 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.896 -7.484 3.081 1.00 0.00 H new ATOM 41 N ARG A 4 -2.607 -1.608 0.366 1.00 0.00 N ATOM 42 CA ARG A 4 -2.496 -0.153 0.401 1.00 0.00 C ATOM 43 C ARG A 4 -1.610 0.292 1.564 1.00 0.00 C ATOM 44 O ARG A 4 -2.098 0.828 2.559 1.00 0.00 O ATOM 45 CB ARG A 4 -3.887 0.475 0.539 1.00 0.00 C ATOM 46 CG ARG A 4 -4.586 -0.064 1.791 1.00 0.00 C ATOM 47 CD ARG A 4 -5.081 1.108 2.642 1.00 0.00 C ATOM 48 NE ARG A 4 -5.809 0.616 3.805 1.00 0.00 N ATOM 49 CZ ARG A 4 -6.683 1.385 4.446 1.00 0.00 C ATOM 50 NH1 ARG A 4 -7.323 0.921 5.484 1.00 0.00 N ATOM 51 NH2 ARG A 4 -6.901 2.605 4.037 1.00 0.00 N ATOM 0 H ARG A 4 -3.513 -1.973 0.659 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.041 0.181 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.800 1.560 0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.485 0.252 -0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.424 -0.701 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.897 -0.681 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.235 1.715 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.727 1.752 2.046 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.645 -0.336 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.153 -0.032 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.994 1.512 5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.401 2.968 3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.572 3.196 4.529 1.00 0.00 H new ATOM 65 N PHE A 5 -0.306 0.065 1.438 1.00 0.00 N ATOM 66 CA PHE A 5 0.626 0.447 2.495 1.00 0.00 C ATOM 67 C PHE A 5 2.072 0.270 2.042 1.00 0.00 C ATOM 68 O PHE A 5 2.338 -0.039 0.880 1.00 0.00 O ATOM 69 CB PHE A 5 0.372 -0.406 3.743 1.00 0.00 C ATOM 70 CG PHE A 5 1.215 -1.659 3.688 1.00 0.00 C ATOM 71 CD1 PHE A 5 1.242 -2.434 2.522 1.00 0.00 C ATOM 72 CD2 PHE A 5 1.967 -2.047 4.804 1.00 0.00 C ATOM 73 CE1 PHE A 5 2.022 -3.596 2.472 1.00 0.00 C ATOM 74 CE2 PHE A 5 2.747 -3.209 4.754 1.00 0.00 C ATOM 75 CZ PHE A 5 2.774 -3.983 3.588 1.00 0.00 C ATOM 0 H PHE A 5 0.126 -0.376 0.626 1.00 0.00 H new ATOM 0 HA PHE A 5 0.464 1.499 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.612 0.165 4.640 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.684 -0.670 3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.661 -2.136 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.945 -1.450 5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.044 -4.194 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.327 -3.508 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.375 -4.879 3.549 1.00 0.00 H new ATOM 85 N ARG A 6 3.000 0.468 2.974 1.00 0.00 N ATOM 86 CA ARG A 6 4.421 0.330 2.679 1.00 0.00 C ATOM 87 C ARG A 6 4.667 -0.858 1.753 1.00 0.00 C ATOM 88 O ARG A 6 4.052 -1.914 1.905 1.00 0.00 O ATOM 89 CB ARG A 6 5.195 0.134 3.986 1.00 0.00 C ATOM 90 CG ARG A 6 6.332 1.156 4.077 1.00 0.00 C ATOM 91 CD ARG A 6 7.054 0.995 5.414 1.00 0.00 C ATOM 92 NE ARG A 6 8.293 1.765 5.414 1.00 0.00 N ATOM 93 CZ ARG A 6 9.296 1.453 6.229 1.00 0.00 C ATOM 94 NH1 ARG A 6 10.394 2.157 6.212 1.00 0.00 N ATOM 95 NH2 ARG A 6 9.182 0.441 7.045 1.00 0.00 N ATOM 0 H ARG A 6 2.793 0.724 3.939 1.00 0.00 H new ATOM 0 HA ARG A 6 4.765 1.235 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.523 0.248 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.599 -0.877 4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.032 1.012 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.935 2.167 3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.409 1.330 6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.272 -0.058 5.593 1.00 0.00 H new ATOM 0 HE ARG A 6 8.392 2.556 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.483 2.947 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.163 1.917 6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.324 -0.110 7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.951 0.201 7.671 1.00 0.00 H new ATOM 109 N PHE A 7 5.566 -0.675 0.791 1.00 0.00 N ATOM 110 CA PHE A 7 5.884 -1.733 -0.159 1.00 0.00 C ATOM 111 C PHE A 7 7.305 -1.561 -0.716 1.00 0.00 C ATOM 112 O PHE A 7 7.483 -1.451 -1.929 1.00 0.00 O ATOM 113 CB PHE A 7 4.879 -1.698 -1.313 1.00 0.00 C ATOM 114 CG PHE A 7 4.811 -3.058 -1.965 1.00 0.00 C ATOM 115 CD1 PHE A 7 5.393 -3.263 -3.221 1.00 0.00 C ATOM 116 CD2 PHE A 7 4.164 -4.115 -1.313 1.00 0.00 C ATOM 117 CE1 PHE A 7 5.330 -4.525 -3.825 1.00 0.00 C ATOM 118 CE2 PHE A 7 4.100 -5.377 -1.917 1.00 0.00 C ATOM 119 CZ PHE A 7 4.683 -5.581 -3.173 1.00 0.00 C ATOM 0 H PHE A 7 6.084 0.192 0.650 1.00 0.00 H new ATOM 0 HA PHE A 7 5.828 -2.691 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 7 3.895 -1.411 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 7 5.176 -0.947 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.891 -2.448 -3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.714 -3.957 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.781 -4.683 -4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 7 3.601 -6.192 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.634 -6.554 -3.639 1.00 0.00 H new HETATM 129 N DPR A 8 8.322 -1.526 0.123 1.00 0.00 N HETATM 130 CA DPR A 8 9.724 -1.359 -0.360 1.00 0.00 C HETATM 131 CB DPR A 8 10.577 -1.636 0.879 1.00 0.00 C HETATM 132 CG DPR A 8 9.697 -1.325 2.041 1.00 0.00 C HETATM 133 CD DPR A 8 8.267 -1.634 1.599 1.00 0.00 C HETATM 134 C DPR A 8 9.972 0.056 -0.887 1.00 0.00 C HETATM 135 O DPR A 8 9.294 0.998 -0.479 1.00 0.00 O HETATM 0 HG3 DPR A 8 9.973 -1.925 2.908 1.00 0.00 H new HETATM 0 HG2 DPR A 8 9.795 -0.279 2.333 1.00 0.00 H new HETATM 0 HD3 DPR A 8 7.555 -0.927 2.025 1.00 0.00 H new HETATM 0 HD2 DPR A 8 7.957 -2.630 1.916 1.00 0.00 H new HETATM 0 HB3 DPR A 8 10.909 -2.674 0.904 1.00 0.00 H new HETATM 0 HB2 DPR A 8 11.473 -1.015 0.887 1.00 0.00 H new HETATM 0 HA DPR A 8 9.956 -2.025 -1.192 1.00 0.00 H new ATOM 143 N PRO A 9 10.916 0.227 -1.780 1.00 0.00 N ATOM 144 CA PRO A 9 11.233 1.565 -2.359 1.00 0.00 C ATOM 145 C PRO A 9 9.989 2.282 -2.877 1.00 0.00 C ATOM 146 O PRO A 9 10.061 3.432 -3.312 1.00 0.00 O ATOM 147 CB PRO A 9 12.204 1.255 -3.500 1.00 0.00 C ATOM 148 CG PRO A 9 12.826 -0.054 -3.147 1.00 0.00 C ATOM 149 CD PRO A 9 11.787 -0.825 -2.333 1.00 0.00 C ATOM 0 HA PRO A 9 11.654 2.239 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.682 1.197 -4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.959 2.035 -3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.103 -0.606 -4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.739 0.094 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.226 -1.520 -2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.255 -1.412 -1.543 1.00 0.00 H new ATOM 157 N GLU A 10 8.852 1.599 -2.823 1.00 0.00 N ATOM 158 CA GLU A 10 7.599 2.183 -3.286 1.00 0.00 C ATOM 159 C GLU A 10 6.470 1.855 -2.314 1.00 0.00 C ATOM 160 O GLU A 10 6.552 0.887 -1.560 1.00 0.00 O ATOM 161 CB GLU A 10 7.252 1.646 -4.676 1.00 0.00 C ATOM 162 CG GLU A 10 7.378 0.121 -4.681 1.00 0.00 C ATOM 163 CD GLU A 10 6.856 -0.441 -5.998 1.00 0.00 C ATOM 164 OE1 GLU A 10 5.660 -0.352 -6.225 1.00 0.00 O ATOM 165 OE2 GLU A 10 7.658 -0.953 -6.761 1.00 0.00 O ATOM 0 H GLU A 10 8.771 0.647 -2.466 1.00 0.00 H new ATOM 0 HA GLU A 10 7.719 3.265 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.238 1.938 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.919 2.079 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.420 -0.166 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.816 -0.301 -3.848 1.00 0.00 H new ATOM 172 N ILE A 11 5.420 2.669 -2.336 1.00 0.00 N ATOM 173 CA ILE A 11 4.281 2.452 -1.450 1.00 0.00 C ATOM 174 C ILE A 11 2.980 2.839 -2.144 1.00 0.00 C ATOM 175 O ILE A 11 2.953 3.756 -2.966 1.00 0.00 O ATOM 176 CB ILE A 11 4.445 3.281 -0.173 1.00 0.00 C ATOM 177 CG1 ILE A 11 3.089 3.412 0.530 1.00 0.00 C ATOM 178 CG2 ILE A 11 4.967 4.673 -0.531 1.00 0.00 C ATOM 179 CD1 ILE A 11 3.301 3.811 1.991 1.00 0.00 C ATOM 0 H ILE A 11 5.333 3.478 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 11 4.243 1.393 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 11 5.154 2.786 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.477 4.159 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.548 2.467 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.084 5.263 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.931 4.582 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.259 5.167 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.335 3.903 2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.896 3.048 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.824 4.766 2.035 1.00 0.00 H new ATOM 191 N ILE A 12 1.906 2.138 -1.796 1.00 0.00 N ATOM 192 CA ILE A 12 0.597 2.411 -2.375 1.00 0.00 C ATOM 193 C ILE A 12 -0.408 2.728 -1.274 1.00 0.00 C ATOM 194 O ILE A 12 -0.550 1.969 -0.313 1.00 0.00 O ATOM 195 CB ILE A 12 0.116 1.204 -3.185 1.00 0.00 C ATOM 196 CG1 ILE A 12 -1.364 1.383 -3.533 1.00 0.00 C ATOM 197 CG2 ILE A 12 0.293 -0.074 -2.361 1.00 0.00 C ATOM 198 CD1 ILE A 12 -1.695 0.576 -4.789 1.00 0.00 C ATOM 0 H ILE A 12 1.917 1.377 -1.116 1.00 0.00 H new ATOM 0 HA ILE A 12 0.681 3.272 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 12 0.702 1.127 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.986 1.053 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.585 2.438 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.050 -0.931 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.346 -0.203 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.291 0.001 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.749 0.704 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.082 0.927 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.490 -0.479 -4.608 1.00 0.00 H new ATOM 210 N PHE A 13 -1.098 3.856 -1.415 1.00 0.00 N ATOM 211 CA PHE A 13 -2.083 4.268 -0.422 1.00 0.00 C ATOM 212 C PHE A 13 -3.234 5.017 -1.086 1.00 0.00 C ATOM 213 O PHE A 13 -3.019 5.995 -1.802 1.00 0.00 O ATOM 214 CB PHE A 13 -1.425 5.164 0.629 1.00 0.00 C ATOM 215 CG PHE A 13 -2.144 5.006 1.947 1.00 0.00 C ATOM 216 CD1 PHE A 13 -3.113 5.941 2.331 1.00 0.00 C ATOM 217 CD2 PHE A 13 -1.841 3.927 2.786 1.00 0.00 C ATOM 218 CE1 PHE A 13 -3.780 5.795 3.553 1.00 0.00 C ATOM 219 CE2 PHE A 13 -2.507 3.782 4.008 1.00 0.00 C ATOM 220 CZ PHE A 13 -3.476 4.716 4.392 1.00 0.00 C ATOM 0 H PHE A 13 -0.994 4.497 -2.202 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.478 3.374 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.374 4.899 0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.458 6.205 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.346 6.774 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.093 3.206 2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.529 6.515 3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.273 2.949 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.989 4.604 5.336 1.00 0.00 H new ATOM 230 N ASN A 14 -4.456 4.552 -0.843 1.00 0.00 N ATOM 231 CA ASN A 14 -5.634 5.189 -1.421 1.00 0.00 C ATOM 232 C ASN A 14 -6.877 4.337 -1.181 1.00 0.00 C ATOM 233 O ASN A 14 -7.211 3.468 -1.985 1.00 0.00 O ATOM 234 CB ASN A 14 -5.436 5.389 -2.925 1.00 0.00 C ATOM 235 CG ASN A 14 -5.081 6.844 -3.215 1.00 0.00 C ATOM 236 OD1 ASN A 14 -4.017 7.125 -3.766 1.00 0.00 O ATOM 237 ND2 ASN A 14 -5.912 7.790 -2.873 1.00 0.00 N ATOM 0 H ASN A 14 -4.655 3.743 -0.255 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.771 6.157 -0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.643 4.734 -3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.345 5.114 -3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.680 8.765 -3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.793 7.554 -2.416 1.00 0.00 H new ATOM 244 N GLU A 15 -7.560 4.596 -0.069 1.00 0.00 N ATOM 245 CA GLU A 15 -8.767 3.849 0.269 1.00 0.00 C ATOM 246 C GLU A 15 -8.463 2.359 0.393 1.00 0.00 C ATOM 247 O GLU A 15 -7.930 1.744 -0.531 1.00 0.00 O ATOM 248 CB GLU A 15 -9.834 4.066 -0.807 1.00 0.00 C ATOM 249 CG GLU A 15 -11.048 4.764 -0.191 1.00 0.00 C ATOM 250 CD GLU A 15 -11.709 3.851 0.836 1.00 0.00 C ATOM 251 OE1 GLU A 15 -12.115 4.354 1.871 1.00 0.00 O ATOM 252 OE2 GLU A 15 -11.800 2.664 0.573 1.00 0.00 O ATOM 0 H GLU A 15 -7.300 5.313 0.609 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.137 4.212 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.428 4.669 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.131 3.110 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.740 5.696 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.763 5.025 -0.972 1.00 0.00 H new ATOM 259 N ARG A 16 -8.808 1.785 1.541 1.00 0.00 N ATOM 260 CA ARG A 16 -8.570 0.366 1.778 1.00 0.00 C ATOM 261 C ARG A 16 -8.901 -0.449 0.532 1.00 0.00 C ATOM 262 O ARG A 16 -9.773 -0.075 -0.252 1.00 0.00 O ATOM 263 CB ARG A 16 -9.427 -0.124 2.951 1.00 0.00 C ATOM 264 CG ARG A 16 -10.824 0.498 2.866 1.00 0.00 C ATOM 265 CD ARG A 16 -10.936 1.664 3.854 1.00 0.00 C ATOM 266 NE ARG A 16 -12.044 2.536 3.477 1.00 0.00 N ATOM 267 CZ ARG A 16 -12.664 3.291 4.379 1.00 0.00 C ATOM 268 NH1 ARG A 16 -13.654 4.059 4.016 1.00 0.00 N ATOM 269 NH2 ARG A 16 -12.281 3.265 5.627 1.00 0.00 N ATOM 0 H ARG A 16 -9.251 2.277 2.317 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.515 0.232 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.501 -1.211 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.955 0.146 3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.014 0.850 1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.581 -0.254 3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.091 1.282 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.005 2.231 3.867 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.348 2.567 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.952 4.080 3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.130 4.638 4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.506 2.665 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.757 3.844 6.319 1.00 0.00 H new TER 283 ARG A 16