USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=2 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 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+ 179:sc= -0.0247 (180deg=-0.0254) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0529! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -7.99! C(o=-8!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.366 -1.103 3.512 1.00 0.00 N ATOM 2 CA GLY A 1 6.485 -0.134 4.156 1.00 0.00 C ATOM 3 C GLY A 1 6.580 1.230 3.482 1.00 0.00 C ATOM 4 O GLY A 1 5.966 2.199 3.928 1.00 0.00 O ATOM 0 H1 GLY A 1 7.293 -2.017 4.002 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.086 -1.220 2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.456 -0.491 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.750 -0.041 5.209 1.00 0.00 H new ATOM 8 N SER A 2 7.353 1.297 2.408 1.00 0.00 N ATOM 9 CA SER A 2 7.525 2.548 1.677 1.00 0.00 C ATOM 10 C SER A 2 6.236 2.932 0.960 1.00 0.00 C ATOM 11 O SER A 2 5.141 2.775 1.501 1.00 0.00 O ATOM 12 CB SER A 2 8.654 2.407 0.655 1.00 0.00 C ATOM 13 OG SER A 2 8.830 3.644 -0.023 1.00 0.00 O ATOM 0 H SER A 2 7.869 0.506 2.023 1.00 0.00 H new ATOM 0 HA SER A 2 7.778 3.331 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.579 2.118 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.418 1.618 -0.059 1.00 0.00 H new ATOM 0 HG SER A 2 9.554 3.558 -0.678 1.00 0.00 H new ATOM 19 N ARG A 3 6.373 3.434 -0.262 1.00 0.00 N ATOM 20 CA ARG A 3 5.212 3.838 -1.047 1.00 0.00 C ATOM 21 C ARG A 3 4.122 2.774 -0.974 1.00 0.00 C ATOM 22 O ARG A 3 4.413 1.583 -0.856 1.00 0.00 O ATOM 23 CB ARG A 3 5.617 4.058 -2.505 1.00 0.00 C ATOM 24 CG ARG A 3 4.365 4.105 -3.382 1.00 0.00 C ATOM 25 CD ARG A 3 4.692 4.800 -4.704 1.00 0.00 C ATOM 26 NE ARG A 3 5.847 4.171 -5.334 1.00 0.00 N ATOM 27 CZ ARG A 3 5.711 3.095 -6.103 1.00 0.00 C ATOM 28 NH1 ARG A 3 6.761 2.554 -6.659 1.00 0.00 N ATOM 29 NH2 ARG A 3 4.529 2.580 -6.303 1.00 0.00 N ATOM 0 H ARG A 3 7.270 3.570 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 3 4.824 4.770 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.176 4.989 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.275 3.255 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.002 3.095 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.567 4.639 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.832 4.749 -5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.896 5.856 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 3 6.776 4.564 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.685 2.957 -6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.657 1.728 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.708 3.003 -5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.426 1.755 -6.893 1.00 0.00 H new ATOM 43 N GLY A 4 2.870 3.208 -1.046 1.00 0.00 N ATOM 44 CA GLY A 4 1.747 2.280 -0.985 1.00 0.00 C ATOM 45 C GLY A 4 0.638 2.698 -1.942 1.00 0.00 C ATOM 46 O GLY A 4 0.738 3.726 -2.614 1.00 0.00 O ATOM 0 H GLY A 4 2.607 4.189 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.088 1.275 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.358 2.241 0.033 1.00 0.00 H new ATOM 50 N PHE A 5 -0.420 1.894 -1.998 1.00 0.00 N ATOM 51 CA PHE A 5 -1.550 2.184 -2.873 1.00 0.00 C ATOM 52 C PHE A 5 -2.864 2.033 -2.113 1.00 0.00 C ATOM 53 O PHE A 5 -3.038 1.092 -1.337 1.00 0.00 O ATOM 54 CB PHE A 5 -1.540 1.230 -4.071 1.00 0.00 C ATOM 55 CG PHE A 5 -0.438 1.627 -5.024 1.00 0.00 C ATOM 56 CD1 PHE A 5 -0.669 2.616 -5.987 1.00 0.00 C ATOM 57 CD2 PHE A 5 0.814 1.005 -4.947 1.00 0.00 C ATOM 58 CE1 PHE A 5 0.351 2.984 -6.873 1.00 0.00 C ATOM 59 CE2 PHE A 5 1.835 1.373 -5.832 1.00 0.00 C ATOM 60 CZ PHE A 5 1.603 2.362 -6.796 1.00 0.00 C ATOM 0 H PHE A 5 -0.518 1.040 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.461 3.212 -3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.390 0.205 -3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.503 1.259 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.635 3.096 -6.047 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.992 0.241 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.172 3.747 -7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.801 0.894 -5.771 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.390 2.645 -7.480 1.00 0.00 H new ATOM 70 N ARG A 6 -3.784 2.967 -2.341 1.00 0.00 N ATOM 71 CA ARG A 6 -5.081 2.928 -1.672 1.00 0.00 C ATOM 72 C ARG A 6 -6.040 2.011 -2.422 1.00 0.00 C ATOM 73 O ARG A 6 -6.685 2.425 -3.386 1.00 0.00 O ATOM 74 CB ARG A 6 -5.673 4.338 -1.596 1.00 0.00 C ATOM 75 CG ARG A 6 -6.929 4.322 -0.720 1.00 0.00 C ATOM 76 CD ARG A 6 -8.109 4.898 -1.505 1.00 0.00 C ATOM 77 NE ARG A 6 -9.326 4.839 -0.704 1.00 0.00 N ATOM 78 CZ ARG A 6 -10.508 5.147 -1.227 1.00 0.00 C ATOM 79 NH1 ARG A 6 -11.584 5.087 -0.488 1.00 0.00 N ATOM 80 NH2 ARG A 6 -10.595 5.508 -2.477 1.00 0.00 N ATOM 0 H ARG A 6 -3.657 3.753 -2.978 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.938 2.541 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.939 5.030 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.920 4.694 -2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.152 3.303 -0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.761 4.906 0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.899 5.930 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.247 4.339 -2.430 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.269 4.556 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.516 4.804 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.492 5.323 -0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.755 5.554 -3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.503 5.744 -2.878 1.00 0.00 H new ATOM 94 N PHE A 7 -6.122 0.761 -1.974 1.00 0.00 N ATOM 95 CA PHE A 7 -6.994 -0.218 -2.601 1.00 0.00 C ATOM 96 C PHE A 7 -8.086 -0.660 -1.623 1.00 0.00 C ATOM 97 O PHE A 7 -7.915 -1.638 -0.894 1.00 0.00 O ATOM 98 CB PHE A 7 -6.158 -1.427 -3.018 1.00 0.00 C ATOM 99 CG PHE A 7 -5.961 -1.411 -4.515 1.00 0.00 C ATOM 100 CD1 PHE A 7 -4.711 -1.080 -5.053 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.027 -1.726 -5.365 1.00 0.00 C ATOM 102 CE1 PHE A 7 -4.528 -1.064 -6.442 1.00 0.00 C ATOM 103 CE2 PHE A 7 -6.845 -1.710 -6.753 1.00 0.00 C ATOM 104 CZ PHE A 7 -5.595 -1.379 -7.292 1.00 0.00 C ATOM 0 H PHE A 7 -5.593 0.405 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.470 0.227 -3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.192 -1.406 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.656 -2.348 -2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.888 -0.837 -4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.991 -1.982 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.564 -0.809 -6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.668 -1.953 -7.408 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.454 -1.367 -8.363 1.00 0.00 H new HETATM 114 N DPR A 8 -9.195 0.038 -1.578 1.00 0.00 N HETATM 115 CA DPR A 8 -10.305 -0.313 -0.651 1.00 0.00 C HETATM 116 CB DPR A 8 -11.457 0.592 -1.093 1.00 0.00 C HETATM 117 CG DPR A 8 -10.808 1.753 -1.767 1.00 0.00 C HETATM 118 CD DPR A 8 -9.511 1.228 -2.383 1.00 0.00 C HETATM 119 C DPR A 8 -9.914 -0.040 0.801 1.00 0.00 C HETATM 120 O DPR A 8 -9.067 0.814 1.062 1.00 0.00 O HETATM 0 HG3 DPR A 8 -11.460 2.171 -2.534 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -10.603 2.551 -1.053 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -8.714 1.970 -2.330 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -9.642 0.976 -3.435 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -12.130 0.069 -1.772 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -12.053 0.915 -0.240 1.00 0.00 H new HETATM 0 HA DPR A 8 -10.567 -1.370 -0.691 1.00 0.00 H new ATOM 128 N PRO A 9 -10.492 -0.737 1.748 1.00 0.00 N ATOM 129 CA PRO A 9 -10.159 -0.535 3.181 1.00 0.00 C ATOM 130 C PRO A 9 -8.831 -1.194 3.542 1.00 0.00 C ATOM 131 O PRO A 9 -8.554 -1.459 4.713 1.00 0.00 O ATOM 132 CB PRO A 9 -11.327 -1.182 3.923 1.00 0.00 C ATOM 133 CG PRO A 9 -11.884 -2.208 2.991 1.00 0.00 C ATOM 134 CD PRO A 9 -11.515 -1.780 1.567 1.00 0.00 C ATOM 0 HA PRO A 9 -10.033 0.517 3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.993 -1.640 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.082 -0.441 4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.474 -3.193 3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.966 -2.281 3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.128 -2.619 0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.383 -1.396 1.031 1.00 0.00 H new ATOM 142 N LYS A 10 -8.013 -1.450 2.521 1.00 0.00 N ATOM 143 CA LYS A 10 -6.709 -2.074 2.725 1.00 0.00 C ATOM 144 C LYS A 10 -5.619 -1.243 2.050 1.00 0.00 C ATOM 145 O LYS A 10 -5.894 -0.465 1.135 1.00 0.00 O ATOM 146 CB LYS A 10 -6.719 -3.496 2.138 1.00 0.00 C ATOM 147 CG LYS A 10 -5.541 -4.332 2.673 1.00 0.00 C ATOM 148 CD LYS A 10 -5.750 -4.675 4.153 1.00 0.00 C ATOM 149 CE LYS A 10 -4.635 -4.040 4.988 1.00 0.00 C ATOM 150 NZ LYS A 10 -4.932 -4.229 6.436 1.00 0.00 N ATOM 0 H LYS A 10 -8.231 -1.235 1.548 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.502 -2.126 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.659 -3.988 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.666 -3.443 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.445 -5.249 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.610 -3.778 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.721 -4.311 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.750 -5.756 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.676 -4.495 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.553 -2.978 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.175 -3.798 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.839 -3.776 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.989 -5.245 6.649 1.00 0.00 H new ATOM 164 N ILE A 11 -4.386 -1.416 2.509 1.00 0.00 N ATOM 165 CA ILE A 11 -3.255 -0.681 1.952 1.00 0.00 C ATOM 166 C ILE A 11 -2.092 -1.626 1.672 1.00 0.00 C ATOM 167 O ILE A 11 -1.793 -2.507 2.479 1.00 0.00 O ATOM 168 CB ILE A 11 -2.808 0.407 2.936 1.00 0.00 C ATOM 169 CG1 ILE A 11 -3.652 1.670 2.716 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.324 0.732 2.725 1.00 0.00 C ATOM 171 CD1 ILE A 11 -3.007 2.556 1.645 1.00 0.00 C ATOM 0 H ILE A 11 -4.143 -2.057 3.264 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.567 -0.219 1.015 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.947 0.048 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.661 1.393 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.742 2.224 3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.017 1.506 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.728 -0.166 2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.171 1.087 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.614 3.449 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.007 2.847 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.940 2.004 0.708 1.00 0.00 H new ATOM 183 N ILE A 12 -1.434 -1.427 0.532 1.00 0.00 N ATOM 184 CA ILE A 12 -0.291 -2.260 0.164 1.00 0.00 C ATOM 185 C ILE A 12 0.992 -1.440 0.209 1.00 0.00 C ATOM 186 O ILE A 12 0.957 -0.211 0.154 1.00 0.00 O ATOM 187 CB ILE A 12 -0.476 -2.840 -1.239 1.00 0.00 C ATOM 188 CG1 ILE A 12 -1.970 -3.024 -1.529 1.00 0.00 C ATOM 189 CG2 ILE A 12 0.235 -4.194 -1.323 1.00 0.00 C ATOM 190 CD1 ILE A 12 -2.164 -4.123 -2.579 1.00 0.00 C ATOM 0 H ILE A 12 -1.669 -0.703 -0.147 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.223 -3.080 0.879 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.051 -2.157 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.498 -3.287 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.398 -2.088 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.106 -4.611 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.298 -4.060 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.192 -4.875 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.228 -4.249 -2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.651 -3.842 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.752 -5.060 -2.205 1.00 0.00 H new ATOM 202 N PHE A 13 2.121 -2.128 0.316 1.00 0.00 N ATOM 203 CA PHE A 13 3.409 -1.465 0.376 1.00 0.00 C ATOM 204 C PHE A 13 4.135 -1.574 -0.961 1.00 0.00 C ATOM 205 O PHE A 13 3.604 -2.127 -1.924 1.00 0.00 O ATOM 206 CB PHE A 13 4.249 -2.116 1.468 1.00 0.00 C ATOM 207 CG PHE A 13 3.636 -3.442 1.848 1.00 0.00 C ATOM 208 CD1 PHE A 13 3.907 -4.584 1.084 1.00 0.00 C ATOM 209 CD2 PHE A 13 2.795 -3.531 2.965 1.00 0.00 C ATOM 210 CE1 PHE A 13 3.337 -5.813 1.436 1.00 0.00 C ATOM 211 CE2 PHE A 13 2.226 -4.760 3.317 1.00 0.00 C ATOM 212 CZ PHE A 13 2.498 -5.901 2.552 1.00 0.00 C ATOM 0 H PHE A 13 2.167 -3.146 0.363 1.00 0.00 H new ATOM 0 HA PHE A 13 3.256 -0.409 0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.271 -2.262 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.301 -1.464 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.556 -4.516 0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.586 -2.651 3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.545 -6.693 0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.578 -4.829 4.178 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.060 -6.850 2.824 1.00 0.00 H new ATOM 222 N ASN A 14 5.354 -1.046 -1.010 1.00 0.00 N ATOM 223 CA ASN A 14 6.150 -1.094 -2.230 1.00 0.00 C ATOM 224 C ASN A 14 7.220 -2.177 -2.123 1.00 0.00 C ATOM 225 O ASN A 14 7.249 -3.116 -2.919 1.00 0.00 O ATOM 226 CB ASN A 14 6.815 0.263 -2.474 1.00 0.00 C ATOM 227 CG ASN A 14 6.369 0.832 -3.814 1.00 0.00 C ATOM 228 OD1 ASN A 14 7.191 1.323 -4.588 1.00 0.00 O ATOM 229 ND2 ASN A 14 5.109 0.795 -4.134 1.00 0.00 N ATOM 0 H ASN A 14 5.809 -0.583 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 14 5.491 -1.329 -3.066 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.554 0.954 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.899 0.153 -2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.799 1.174 -5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.431 0.387 -3.490 1.00 0.00 H new ATOM 236 N GLU A 15 8.096 -2.040 -1.132 1.00 0.00 N ATOM 237 CA GLU A 15 9.163 -3.015 -0.928 1.00 0.00 C ATOM 238 C GLU A 15 9.578 -3.053 0.537 1.00 0.00 C ATOM 239 O GLU A 15 10.263 -3.975 0.978 1.00 0.00 O ATOM 240 CB GLU A 15 10.369 -2.661 -1.800 1.00 0.00 C ATOM 241 CG GLU A 15 11.243 -3.903 -1.999 1.00 0.00 C ATOM 242 CD GLU A 15 10.620 -4.816 -3.049 1.00 0.00 C ATOM 243 OE1 GLU A 15 9.859 -5.691 -2.668 1.00 0.00 O ATOM 244 OE2 GLU A 15 10.913 -4.628 -4.218 1.00 0.00 O ATOM 0 H GLU A 15 8.089 -1.270 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 15 8.792 -4.000 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.033 -2.282 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.950 -1.867 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.245 -3.607 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.348 -4.439 -1.056 1.00 0.00 H new ATOM 251 N ARG A 16 9.157 -2.044 1.285 1.00 0.00 N ATOM 252 CA ARG A 16 9.487 -1.964 2.701 1.00 0.00 C ATOM 253 C ARG A 16 8.669 -0.873 3.389 1.00 0.00 C ATOM 254 O ARG A 16 9.210 0.152 3.801 1.00 0.00 O ATOM 255 CB ARG A 16 10.976 -1.665 2.864 1.00 0.00 C ATOM 256 CG ARG A 16 11.427 -2.044 4.278 1.00 0.00 C ATOM 257 CD ARG A 16 12.931 -1.804 4.419 1.00 0.00 C ATOM 258 NE ARG A 16 13.305 -1.763 5.837 1.00 0.00 N ATOM 259 CZ ARG A 16 14.568 -1.587 6.208 1.00 0.00 C ATOM 260 NH1 ARG A 16 14.876 -1.554 7.475 1.00 0.00 N ATOM 261 NH2 ARG A 16 15.501 -1.448 5.305 1.00 0.00 N ATOM 0 H ARG A 16 8.588 -1.272 0.937 1.00 0.00 H new ATOM 0 HA ARG A 16 9.249 -2.921 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.552 -2.224 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.166 -0.607 2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.884 -1.452 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.195 -3.091 4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.482 -2.596 3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.204 -0.866 3.936 1.00 0.00 H new ATOM 0 HE ARG A 16 12.583 -1.871 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.147 -1.663 8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.846 -1.419 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.260 -1.475 4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.471 -1.313 5.590 1.00 0.00 H new TER 275 ARG A 16