USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=3 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 Set 1.1: A 1 GLY N :NH3+ -149:sc= -0.152 (180deg=-0.559) USER MOD Set 1.2: A 2 SER OG : rot -75:sc= -0.56 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -1.75! C(o=-4!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.293 0.578 1.404 1.00 0.00 N ATOM 2 CA GLY A 1 10.451 2.028 1.375 1.00 0.00 C ATOM 3 C GLY A 1 9.239 2.698 0.743 1.00 0.00 C ATOM 4 O GLY A 1 9.178 3.922 0.629 1.00 0.00 O ATOM 0 H2 GLY A 1 10.789 0.191 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.590 2.402 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.348 2.288 0.814 1.00 0.00 H new ATOM 8 N SER A 2 8.277 1.883 0.333 1.00 0.00 N ATOM 9 CA SER A 2 7.065 2.396 -0.288 1.00 0.00 C ATOM 10 C SER A 2 6.285 3.269 0.690 1.00 0.00 C ATOM 11 O SER A 2 6.366 3.084 1.904 1.00 0.00 O ATOM 12 CB SER A 2 6.191 1.230 -0.743 1.00 0.00 C ATOM 13 OG SER A 2 6.820 0.005 -0.386 1.00 0.00 O ATOM 0 H SER A 2 8.312 0.867 0.419 1.00 0.00 H new ATOM 0 HA SER A 2 7.345 3.004 -1.148 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.207 1.296 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.039 1.273 -1.821 1.00 0.00 H new ATOM 0 HG SER A 2 7.569 -0.167 -0.994 1.00 0.00 H new ATOM 19 N ARG A 3 5.529 4.221 0.151 1.00 0.00 N ATOM 20 CA ARG A 3 4.738 5.118 0.984 1.00 0.00 C ATOM 21 C ARG A 3 3.321 4.579 1.158 1.00 0.00 C ATOM 22 O ARG A 3 2.463 5.240 1.741 1.00 0.00 O ATOM 23 CB ARG A 3 4.684 6.506 0.344 1.00 0.00 C ATOM 24 CG ARG A 3 4.416 7.557 1.424 1.00 0.00 C ATOM 25 CD ARG A 3 5.746 8.099 1.950 1.00 0.00 C ATOM 26 NE ARG A 3 5.577 8.626 3.299 1.00 0.00 N ATOM 27 CZ ARG A 3 5.640 7.829 4.362 1.00 0.00 C ATOM 28 NH1 ARG A 3 5.486 8.324 5.559 1.00 0.00 N ATOM 29 NH2 ARG A 3 5.854 6.551 4.207 1.00 0.00 N ATOM 0 H ARG A 3 5.448 4.390 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 3 5.209 5.186 1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.625 6.721 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.900 6.539 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.816 8.370 1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.842 7.117 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.494 7.307 1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.114 8.883 1.289 1.00 0.00 H new ATOM 0 HE ARG A 3 5.408 9.623 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.317 9.323 5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.534 7.712 6.374 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.973 6.164 3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.902 5.939 5.022 1.00 0.00 H new ATOM 43 N GLY A 4 3.087 3.375 0.646 1.00 0.00 N ATOM 44 CA GLY A 4 1.770 2.756 0.750 1.00 0.00 C ATOM 45 C GLY A 4 1.001 2.889 -0.561 1.00 0.00 C ATOM 46 O GLY A 4 1.335 3.717 -1.406 1.00 0.00 O ATOM 0 H GLY A 4 3.785 2.813 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.878 1.702 1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.206 3.225 1.556 1.00 0.00 H new ATOM 50 N PHE A 5 -0.032 2.066 -0.720 1.00 0.00 N ATOM 51 CA PHE A 5 -0.843 2.101 -1.932 1.00 0.00 C ATOM 52 C PHE A 5 -2.323 1.977 -1.589 1.00 0.00 C ATOM 53 O PHE A 5 -2.722 1.099 -0.824 1.00 0.00 O ATOM 54 CB PHE A 5 -0.437 0.959 -2.866 1.00 0.00 C ATOM 55 CG PHE A 5 0.814 1.345 -3.618 1.00 0.00 C ATOM 56 CD1 PHE A 5 2.064 1.236 -2.997 1.00 0.00 C ATOM 57 CD2 PHE A 5 0.725 1.812 -4.934 1.00 0.00 C ATOM 58 CE1 PHE A 5 3.224 1.595 -3.692 1.00 0.00 C ATOM 59 CE2 PHE A 5 1.886 2.171 -5.630 1.00 0.00 C ATOM 60 CZ PHE A 5 3.136 2.062 -5.009 1.00 0.00 C ATOM 0 H PHE A 5 -0.325 1.373 -0.031 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.675 3.055 -2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.263 0.049 -2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.244 0.744 -3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.133 0.875 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.239 1.896 -5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.188 1.512 -3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.817 2.532 -6.646 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.032 2.338 -5.545 1.00 0.00 H new ATOM 70 N ARG A 6 -3.134 2.861 -2.162 1.00 0.00 N ATOM 71 CA ARG A 6 -4.569 2.840 -1.912 1.00 0.00 C ATOM 72 C ARG A 6 -5.231 1.721 -2.712 1.00 0.00 C ATOM 73 O ARG A 6 -5.552 1.890 -3.889 1.00 0.00 O ATOM 74 CB ARG A 6 -5.184 4.189 -2.297 1.00 0.00 C ATOM 75 CG ARG A 6 -5.806 4.838 -1.059 1.00 0.00 C ATOM 76 CD ARG A 6 -6.444 6.173 -1.451 1.00 0.00 C ATOM 77 NE ARG A 6 -6.449 7.083 -0.311 1.00 0.00 N ATOM 78 CZ ARG A 6 -6.528 8.399 -0.484 1.00 0.00 C ATOM 79 NH1 ARG A 6 -6.532 9.193 0.552 1.00 0.00 N ATOM 80 NH2 ARG A 6 -6.598 8.896 -1.689 1.00 0.00 N ATOM 0 H ARG A 6 -2.824 3.596 -2.798 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.737 2.658 -0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.420 4.842 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.943 4.048 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.557 4.177 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.044 4.997 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.893 6.619 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.464 6.009 -1.799 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.391 6.704 0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.475 8.804 1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.593 10.203 0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.592 8.275 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.659 9.906 -1.822 1.00 0.00 H new ATOM 94 N PHE A 7 -5.423 0.576 -2.063 1.00 0.00 N ATOM 95 CA PHE A 7 -6.038 -0.573 -2.710 1.00 0.00 C ATOM 96 C PHE A 7 -7.276 -1.022 -1.926 1.00 0.00 C ATOM 97 O PHE A 7 -7.183 -1.866 -1.033 1.00 0.00 O ATOM 98 CB PHE A 7 -5.019 -1.714 -2.778 1.00 0.00 C ATOM 99 CG PHE A 7 -4.655 -1.979 -4.219 1.00 0.00 C ATOM 100 CD1 PHE A 7 -5.554 -2.652 -5.056 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.419 -1.551 -4.718 1.00 0.00 C ATOM 102 CE1 PHE A 7 -5.215 -2.898 -6.392 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.081 -1.797 -6.054 1.00 0.00 C ATOM 104 CZ PHE A 7 -3.980 -2.470 -6.891 1.00 0.00 C ATOM 0 H PHE A 7 -5.161 0.422 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.348 -0.298 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.127 -1.453 -2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.434 -2.614 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.508 -2.981 -4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.727 -1.031 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.907 -3.418 -7.038 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.127 -1.468 -6.439 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.720 -2.659 -7.922 1.00 0.00 H new HETATM 114 N DPR A 8 -8.430 -0.471 -2.220 1.00 0.00 N HETATM 115 CA DPR A 8 -9.683 -0.838 -1.506 1.00 0.00 C HETATM 116 CB DPR A 8 -10.785 -0.130 -2.297 1.00 0.00 C HETATM 117 CG DPR A 8 -10.107 1.003 -2.992 1.00 0.00 C HETATM 118 CD DPR A 8 -8.668 0.557 -3.249 1.00 0.00 C HETATM 119 C DPR A 8 -9.650 -0.356 -0.055 1.00 0.00 C HETATM 120 O DPR A 8 -8.945 0.602 0.262 1.00 0.00 O HETATM 0 HG3 DPR A 8 -10.612 1.242 -3.928 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -10.130 1.904 -2.379 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -7.969 1.388 -3.154 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -8.548 0.153 -4.254 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -11.252 -0.807 -3.012 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -11.574 0.230 -1.636 1.00 0.00 H new HETATM 0 HA DPR A 8 -9.834 -1.916 -1.456 1.00 0.00 H new ATOM 128 N PRO A 9 -10.381 -0.985 0.832 1.00 0.00 N ATOM 129 CA PRO A 9 -10.400 -0.582 2.261 1.00 0.00 C ATOM 130 C PRO A 9 -9.146 -1.051 2.992 1.00 0.00 C ATOM 131 O PRO A 9 -9.126 -1.140 4.220 1.00 0.00 O ATOM 132 CB PRO A 9 -11.657 -1.253 2.815 1.00 0.00 C ATOM 133 CG PRO A 9 -11.912 -2.431 1.934 1.00 0.00 C ATOM 134 CD PRO A 9 -11.262 -2.138 0.578 1.00 0.00 C ATOM 0 HA PRO A 9 -10.413 0.500 2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.511 -1.563 3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.504 -0.566 2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.493 -3.336 2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.983 -2.599 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.697 -2.997 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.011 -1.906 -0.179 1.00 0.00 H new ATOM 142 N LYS A 10 -8.100 -1.346 2.221 1.00 0.00 N ATOM 143 CA LYS A 10 -6.837 -1.802 2.791 1.00 0.00 C ATOM 144 C LYS A 10 -5.679 -0.991 2.214 1.00 0.00 C ATOM 145 O LYS A 10 -5.805 -0.383 1.151 1.00 0.00 O ATOM 146 CB LYS A 10 -6.635 -3.293 2.477 1.00 0.00 C ATOM 147 CG LYS A 10 -5.533 -3.901 3.363 1.00 0.00 C ATOM 148 CD LYS A 10 -5.948 -3.853 4.837 1.00 0.00 C ATOM 149 CE LYS A 10 -5.438 -5.107 5.551 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.522 -4.908 7.026 1.00 0.00 N ATOM 0 H LYS A 10 -8.104 -1.277 1.203 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.864 -1.662 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.570 -3.831 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.370 -3.414 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.345 -4.932 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.601 -3.354 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.541 -2.960 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.033 -3.791 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.031 -5.973 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.408 -5.311 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.176 -5.760 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.938 -4.092 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.511 -4.733 7.297 1.00 0.00 H new ATOM 164 N ILE A 11 -4.556 -0.990 2.923 1.00 0.00 N ATOM 165 CA ILE A 11 -3.375 -0.252 2.481 1.00 0.00 C ATOM 166 C ILE A 11 -2.152 -1.164 2.481 1.00 0.00 C ATOM 167 O ILE A 11 -1.878 -1.851 3.465 1.00 0.00 O ATOM 168 CB ILE A 11 -3.131 0.943 3.408 1.00 0.00 C ATOM 169 CG1 ILE A 11 -4.006 2.122 2.960 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.654 1.345 3.364 1.00 0.00 C ATOM 171 CD1 ILE A 11 -3.271 2.950 1.900 1.00 0.00 C ATOM 0 H ILE A 11 -4.437 -1.490 3.804 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.546 0.109 1.467 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.391 0.666 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.948 1.753 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.251 2.749 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.488 2.195 4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.039 0.506 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.382 1.620 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.900 3.784 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.341 3.334 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.049 2.322 1.037 1.00 0.00 H new ATOM 183 N ILE A 12 -1.420 -1.166 1.370 1.00 0.00 N ATOM 184 CA ILE A 12 -0.228 -2.000 1.257 1.00 0.00 C ATOM 185 C ILE A 12 0.915 -1.233 0.602 1.00 0.00 C ATOM 186 O ILE A 12 0.692 -0.272 -0.136 1.00 0.00 O ATOM 187 CB ILE A 12 -0.534 -3.245 0.425 1.00 0.00 C ATOM 188 CG1 ILE A 12 -2.039 -3.522 0.452 1.00 0.00 C ATOM 189 CG2 ILE A 12 0.216 -4.444 1.006 1.00 0.00 C ATOM 190 CD1 ILE A 12 -2.326 -4.856 -0.238 1.00 0.00 C ATOM 0 H ILE A 12 -1.628 -0.606 0.544 1.00 0.00 H new ATOM 0 HA ILE A 12 0.072 -2.292 2.263 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.214 -3.081 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.396 -3.549 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.576 -2.718 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.002 -5.332 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.288 -4.248 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.102 -4.608 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.398 -5.053 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.984 -4.812 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.801 -5.656 0.284 1.00 0.00 H new ATOM 202 N PHE A 13 2.136 -1.672 0.878 1.00 0.00 N ATOM 203 CA PHE A 13 3.316 -1.041 0.320 1.00 0.00 C ATOM 204 C PHE A 13 3.869 -1.875 -0.830 1.00 0.00 C ATOM 205 O PHE A 13 3.482 -3.030 -1.010 1.00 0.00 O ATOM 206 CB PHE A 13 4.370 -0.911 1.414 1.00 0.00 C ATOM 207 CG PHE A 13 3.975 -1.768 2.593 1.00 0.00 C ATOM 208 CD1 PHE A 13 3.184 -1.231 3.615 1.00 0.00 C ATOM 209 CD2 PHE A 13 4.400 -3.101 2.664 1.00 0.00 C ATOM 210 CE1 PHE A 13 2.816 -2.025 4.707 1.00 0.00 C ATOM 211 CE2 PHE A 13 4.033 -3.895 3.757 1.00 0.00 C ATOM 212 CZ PHE A 13 3.241 -3.357 4.778 1.00 0.00 C ATOM 0 H PHE A 13 2.331 -2.466 1.488 1.00 0.00 H new ATOM 0 HA PHE A 13 3.052 -0.055 -0.063 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.344 -1.221 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.464 0.130 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.857 -0.203 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.011 -3.516 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.204 -1.610 5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.361 -4.923 3.812 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.958 -3.970 5.621 1.00 0.00 H new ATOM 222 N ASN A 14 4.776 -1.290 -1.604 1.00 0.00 N ATOM 223 CA ASN A 14 5.370 -2.002 -2.728 1.00 0.00 C ATOM 224 C ASN A 14 6.315 -3.090 -2.230 1.00 0.00 C ATOM 225 O ASN A 14 5.874 -4.135 -1.749 1.00 0.00 O ATOM 226 CB ASN A 14 6.138 -1.028 -3.622 1.00 0.00 C ATOM 227 CG ASN A 14 6.787 -1.786 -4.774 1.00 0.00 C ATOM 228 OD1 ASN A 14 6.458 -3.030 -4.987 1.00 0.00 O flip ATOM 229 ND2 ASN A 14 7.614 -1.232 -5.497 1.00 0.00 N flip ATOM 0 H ASN A 14 5.113 -0.336 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 14 4.568 -2.464 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.462 -0.267 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.900 -0.510 -3.040 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.869 -0.259 -5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.045 -1.746 -6.266 1.00 0.00 H new ATOM 236 N GLU A 15 7.615 -2.839 -2.347 1.00 0.00 N ATOM 237 CA GLU A 15 8.614 -3.803 -1.903 1.00 0.00 C ATOM 238 C GLU A 15 9.231 -3.365 -0.584 1.00 0.00 C ATOM 239 O GLU A 15 9.105 -4.045 0.435 1.00 0.00 O ATOM 240 CB GLU A 15 9.711 -3.946 -2.961 1.00 0.00 C ATOM 241 CG GLU A 15 9.805 -5.406 -3.407 1.00 0.00 C ATOM 242 CD GLU A 15 10.974 -5.584 -4.370 1.00 0.00 C ATOM 243 OE1 GLU A 15 11.359 -6.718 -4.598 1.00 0.00 O ATOM 244 OE2 GLU A 15 11.465 -4.582 -4.864 1.00 0.00 O ATOM 0 H GLU A 15 7.999 -1.981 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 15 8.123 -4.765 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.491 -3.307 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.667 -3.617 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.937 -6.052 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.876 -5.707 -3.891 1.00 0.00 H new ATOM 251 N ARG A 16 9.898 -2.227 -0.620 1.00 0.00 N ATOM 252 CA ARG A 16 10.544 -1.686 0.571 1.00 0.00 C ATOM 253 C ARG A 16 10.770 -0.185 0.425 1.00 0.00 C ATOM 254 O ARG A 16 11.365 0.272 -0.551 1.00 0.00 O ATOM 255 CB ARG A 16 11.885 -2.387 0.796 1.00 0.00 C ATOM 256 CG ARG A 16 12.348 -2.165 2.238 1.00 0.00 C ATOM 257 CD ARG A 16 13.646 -2.937 2.488 1.00 0.00 C ATOM 258 NE ARG A 16 14.100 -3.594 1.256 1.00 0.00 N ATOM 259 CZ ARG A 16 15.201 -4.338 1.245 1.00 0.00 C ATOM 260 NH1 ARG A 16 15.589 -4.913 0.139 1.00 0.00 N ATOM 261 NH2 ARG A 16 15.894 -4.492 2.339 1.00 0.00 N ATOM 0 H ARG A 16 10.009 -1.656 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 16 9.892 -1.860 1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.787 -3.454 0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 16 12.630 -2.000 0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.505 -1.102 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.577 -2.497 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 16 14.417 -2.256 2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.488 -3.682 3.268 1.00 0.00 H new ATOM 0 HE ARG A 16 13.563 -3.478 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.047 -4.791 -0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.434 -5.484 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.591 -4.042 3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.739 -5.063 2.331 1.00 0.00 H new TER 275 ARG A 16