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 Single : A 1 GLY N :NH3+ 155:sc= -0.16 (180deg=-0.263) USER MOD Single : A 2 SER OG : rot 180:sc= 0.295! USER MOD Single : A 10 LYS NZ :NH3+ -151:sc= -0.0148 (180deg=-0.728) USER MOD Single : A 14 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.934 1.281 0.533 1.00 0.00 N ATOM 2 CA GLY A 1 11.548 2.502 0.023 1.00 0.00 C ATOM 3 C GLY A 1 10.491 3.544 -0.314 1.00 0.00 C ATOM 4 O GLY A 1 10.809 4.651 -0.748 1.00 0.00 O ATOM 0 H2 GLY A 1 11.568 0.475 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.237 2.905 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.136 2.274 -0.866 1.00 0.00 H new ATOM 8 N SER A 2 9.233 3.178 -0.108 1.00 0.00 N ATOM 9 CA SER A 2 8.125 4.084 -0.390 1.00 0.00 C ATOM 10 C SER A 2 7.112 4.059 0.748 1.00 0.00 C ATOM 11 O SER A 2 7.481 4.006 1.922 1.00 0.00 O ATOM 12 CB SER A 2 7.437 3.677 -1.693 1.00 0.00 C ATOM 13 OG SER A 2 6.386 4.593 -1.974 1.00 0.00 O ATOM 0 H SER A 2 8.954 2.265 0.251 1.00 0.00 H new ATOM 0 HA SER A 2 8.522 5.094 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.157 3.669 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.040 2.665 -1.608 1.00 0.00 H new ATOM 0 HG SER A 2 5.943 4.337 -2.810 1.00 0.00 H new ATOM 19 N ARG A 3 5.832 4.097 0.393 1.00 0.00 N ATOM 20 CA ARG A 3 4.770 4.078 1.392 1.00 0.00 C ATOM 21 C ARG A 3 3.632 3.166 0.946 1.00 0.00 C ATOM 22 O ARG A 3 3.540 2.801 -0.226 1.00 0.00 O ATOM 23 CB ARG A 3 4.237 5.496 1.613 1.00 0.00 C ATOM 24 CG ARG A 3 3.189 5.484 2.730 1.00 0.00 C ATOM 25 CD ARG A 3 3.001 6.903 3.271 1.00 0.00 C ATOM 26 NE ARG A 3 1.652 7.067 3.800 1.00 0.00 N ATOM 27 CZ ARG A 3 1.381 7.981 4.727 1.00 0.00 C ATOM 28 NH1 ARG A 3 0.165 8.107 5.183 1.00 0.00 N ATOM 29 NH2 ARG A 3 2.331 8.751 5.182 1.00 0.00 N ATOM 0 H ARG A 3 5.506 4.141 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 3 5.181 3.695 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.056 6.166 1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.797 5.877 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.242 5.100 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.505 4.817 3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.733 7.101 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.179 7.629 2.477 1.00 0.00 H new ATOM 0 HE ARG A 3 0.902 6.469 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.578 7.504 4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.043 8.808 5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.282 8.652 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.123 9.452 5.893 1.00 0.00 H new ATOM 43 N GLY A 4 2.768 2.802 1.888 1.00 0.00 N ATOM 44 CA GLY A 4 1.639 1.931 1.582 1.00 0.00 C ATOM 45 C GLY A 4 0.980 2.335 0.267 1.00 0.00 C ATOM 46 O GLY A 4 1.165 3.454 -0.211 1.00 0.00 O ATOM 0 H GLY A 4 2.827 3.094 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.979 0.897 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.908 1.979 2.389 1.00 0.00 H new ATOM 50 N PHE A 5 0.209 1.414 -0.309 1.00 0.00 N ATOM 51 CA PHE A 5 -0.478 1.677 -1.570 1.00 0.00 C ATOM 52 C PHE A 5 -1.990 1.655 -1.371 1.00 0.00 C ATOM 53 O PHE A 5 -2.513 0.851 -0.600 1.00 0.00 O ATOM 54 CB PHE A 5 -0.085 0.625 -2.608 1.00 0.00 C ATOM 55 CG PHE A 5 1.369 0.799 -2.972 1.00 0.00 C ATOM 56 CD1 PHE A 5 2.362 0.199 -2.190 1.00 0.00 C ATOM 57 CD2 PHE A 5 1.723 1.561 -4.092 1.00 0.00 C ATOM 58 CE1 PHE A 5 3.711 0.361 -2.527 1.00 0.00 C ATOM 59 CE2 PHE A 5 3.072 1.723 -4.430 1.00 0.00 C ATOM 60 CZ PHE A 5 4.066 1.123 -3.647 1.00 0.00 C ATOM 0 H PHE A 5 0.046 0.484 0.076 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.183 2.665 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.254 -0.376 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.708 0.724 -3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.088 -0.389 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.956 2.024 -4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.478 -0.102 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.346 2.310 -5.294 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.107 1.248 -3.907 1.00 0.00 H new ATOM 70 N ARG A 6 -2.685 2.544 -2.073 1.00 0.00 N ATOM 71 CA ARG A 6 -4.137 2.620 -1.967 1.00 0.00 C ATOM 72 C ARG A 6 -4.791 1.499 -2.768 1.00 0.00 C ATOM 73 O ARG A 6 -5.082 1.658 -3.954 1.00 0.00 O ATOM 74 CB ARG A 6 -4.625 3.975 -2.485 1.00 0.00 C ATOM 75 CG ARG A 6 -6.130 4.108 -2.241 1.00 0.00 C ATOM 76 CD ARG A 6 -6.842 4.350 -3.572 1.00 0.00 C ATOM 77 NE ARG A 6 -6.408 5.615 -4.153 1.00 0.00 N ATOM 78 CZ ARG A 6 -6.956 6.766 -3.778 1.00 0.00 C ATOM 79 NH1 ARG A 6 -6.551 7.886 -4.311 1.00 0.00 N ATOM 80 NH2 ARG A 6 -7.898 6.775 -2.876 1.00 0.00 N ATOM 0 H ARG A 6 -2.270 3.217 -2.717 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.415 2.510 -0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.092 4.781 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.410 4.067 -3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.514 3.203 -1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.327 4.933 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.628 3.533 -4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.921 4.363 -3.418 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.672 5.616 -4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.814 7.878 -5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.972 8.769 -4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.213 5.899 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.319 7.658 -2.587 1.00 0.00 H new ATOM 94 N PHE A 7 -5.019 0.367 -2.108 1.00 0.00 N ATOM 95 CA PHE A 7 -5.638 -0.781 -2.754 1.00 0.00 C ATOM 96 C PHE A 7 -6.999 -1.075 -2.111 1.00 0.00 C ATOM 97 O PHE A 7 -7.086 -1.840 -1.149 1.00 0.00 O ATOM 98 CB PHE A 7 -4.719 -1.996 -2.607 1.00 0.00 C ATOM 99 CG PHE A 7 -4.179 -2.386 -3.962 1.00 0.00 C ATOM 100 CD1 PHE A 7 -2.870 -2.040 -4.319 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.986 -3.095 -4.860 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.368 -2.402 -5.575 1.00 0.00 C ATOM 103 CE2 PHE A 7 -4.484 -3.457 -6.116 1.00 0.00 C ATOM 104 CZ PHE A 7 -3.175 -3.110 -6.474 1.00 0.00 C ATOM 0 H PHE A 7 -4.784 0.222 -1.126 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.791 -0.564 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.897 -1.764 -1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.268 -2.830 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.248 -1.494 -3.626 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.995 -3.363 -4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.358 -2.135 -5.850 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.106 -4.004 -6.809 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.788 -3.388 -7.443 1.00 0.00 H new HETATM 114 N DPR A 8 -8.060 -0.477 -2.601 1.00 0.00 N HETATM 115 CA DPR A 8 -9.418 -0.696 -2.030 1.00 0.00 C HETATM 116 CB DPR A 8 -10.355 -0.008 -3.026 1.00 0.00 C HETATM 117 CG DPR A 8 -9.516 1.013 -3.717 1.00 0.00 C HETATM 118 CD DPR A 8 -8.088 0.468 -3.731 1.00 0.00 C HETATM 119 C DPR A 8 -9.534 -0.069 -0.640 1.00 0.00 C HETATM 120 O DPR A 8 -8.809 0.875 -0.326 1.00 0.00 O HETATM 0 HG3 DPR A 8 -9.874 1.187 -4.732 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -9.561 1.969 -3.195 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -7.355 1.265 -3.604 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -7.859 -0.029 -4.674 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -10.768 -0.724 -3.737 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -11.199 0.457 -2.516 1.00 0.00 H new HETATM 0 HA DPR A 8 -9.653 -1.752 -1.899 1.00 0.00 H new ATOM 128 N PRO A 9 -10.411 -0.561 0.198 1.00 0.00 N ATOM 129 CA PRO A 9 -10.579 -0.011 1.567 1.00 0.00 C ATOM 130 C PRO A 9 -9.465 -0.479 2.499 1.00 0.00 C ATOM 131 O PRO A 9 -9.596 -0.417 3.721 1.00 0.00 O ATOM 132 CB PRO A 9 -11.940 -0.545 2.012 1.00 0.00 C ATOM 133 CG PRO A 9 -12.167 -1.792 1.223 1.00 0.00 C ATOM 134 CD PRO A 9 -11.333 -1.682 -0.057 1.00 0.00 C ATOM 0 HA PRO A 9 -10.529 1.078 1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.947 -0.753 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.727 0.185 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.873 -2.669 1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.224 -1.908 0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.789 -2.605 -0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.963 -1.488 -0.925 1.00 0.00 H new ATOM 142 N LYS A 10 -8.367 -0.947 1.905 1.00 0.00 N ATOM 143 CA LYS A 10 -7.228 -1.427 2.682 1.00 0.00 C ATOM 144 C LYS A 10 -5.927 -0.816 2.168 1.00 0.00 C ATOM 145 O LYS A 10 -5.814 -0.468 0.992 1.00 0.00 O ATOM 146 CB LYS A 10 -7.139 -2.953 2.585 1.00 0.00 C ATOM 147 CG LYS A 10 -8.396 -3.591 3.188 1.00 0.00 C ATOM 148 CD LYS A 10 -8.475 -3.291 4.689 1.00 0.00 C ATOM 149 CE LYS A 10 -9.097 -4.486 5.413 1.00 0.00 C ATOM 150 NZ LYS A 10 -10.332 -4.911 4.697 1.00 0.00 N ATOM 0 H LYS A 10 -8.244 -1.003 0.894 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.373 -1.129 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.033 -3.254 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.253 -3.308 3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.284 -3.207 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.379 -4.669 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.479 -3.090 5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.073 -2.396 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.385 -5.311 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.334 -4.218 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.996 -5.338 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.777 -4.084 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.087 -5.609 3.966 1.00 0.00 H new ATOM 164 N ILE A 11 -4.947 -0.699 3.061 1.00 0.00 N ATOM 165 CA ILE A 11 -3.646 -0.141 2.702 1.00 0.00 C ATOM 166 C ILE A 11 -2.558 -1.190 2.903 1.00 0.00 C ATOM 167 O ILE A 11 -2.418 -1.746 3.993 1.00 0.00 O ATOM 168 CB ILE A 11 -3.349 1.088 3.569 1.00 0.00 C ATOM 169 CG1 ILE A 11 -3.988 2.328 2.929 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.834 1.291 3.692 1.00 0.00 C ATOM 171 CD1 ILE A 11 -3.024 2.955 1.917 1.00 0.00 C ATOM 0 H ILE A 11 -5.029 -0.983 4.037 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.664 0.157 1.654 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.766 0.935 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.919 2.052 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.241 3.055 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.633 2.166 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.385 0.411 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.405 1.440 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.488 3.834 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.105 3.248 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.793 2.230 1.137 1.00 0.00 H new ATOM 183 N ILE A 12 -1.796 -1.464 1.849 1.00 0.00 N ATOM 184 CA ILE A 12 -0.730 -2.458 1.931 1.00 0.00 C ATOM 185 C ILE A 12 0.534 -1.967 1.236 1.00 0.00 C ATOM 186 O ILE A 12 0.481 -1.115 0.349 1.00 0.00 O ATOM 187 CB ILE A 12 -1.181 -3.768 1.286 1.00 0.00 C ATOM 188 CG1 ILE A 12 -2.710 -3.817 1.233 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.662 -4.946 2.110 1.00 0.00 C ATOM 190 CD1 ILE A 12 -3.160 -5.189 0.730 1.00 0.00 C ATOM 0 H ILE A 12 -1.894 -1.018 0.937 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.509 -2.623 2.986 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.783 -3.828 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.125 -3.627 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.087 -3.035 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.983 -5.881 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.427 -4.914 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.059 -4.884 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.249 -5.224 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.757 -5.361 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.796 -5.962 1.407 1.00 0.00 H new ATOM 202 N PHE A 13 1.669 -2.519 1.649 1.00 0.00 N ATOM 203 CA PHE A 13 2.951 -2.151 1.075 1.00 0.00 C ATOM 204 C PHE A 13 3.279 -3.040 -0.121 1.00 0.00 C ATOM 205 O PHE A 13 2.803 -4.172 -0.211 1.00 0.00 O ATOM 206 CB PHE A 13 4.035 -2.301 2.139 1.00 0.00 C ATOM 207 CG PHE A 13 5.042 -3.336 1.698 1.00 0.00 C ATOM 208 CD1 PHE A 13 6.296 -2.937 1.219 1.00 0.00 C ATOM 209 CD2 PHE A 13 4.722 -4.697 1.771 1.00 0.00 C ATOM 210 CE1 PHE A 13 7.228 -3.899 0.813 1.00 0.00 C ATOM 211 CE2 PHE A 13 5.654 -5.659 1.365 1.00 0.00 C ATOM 212 CZ PHE A 13 6.908 -5.260 0.886 1.00 0.00 C ATOM 0 H PHE A 13 1.724 -3.226 2.383 1.00 0.00 H new ATOM 0 HA PHE A 13 2.904 -1.117 0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.531 -1.344 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.588 -2.596 3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.544 -1.887 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.755 -5.005 2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.195 -3.591 0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.406 -6.709 1.421 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.628 -6.002 0.573 1.00 0.00 H new ATOM 222 N ASN A 14 4.095 -2.517 -1.034 1.00 0.00 N ATOM 223 CA ASN A 14 4.486 -3.267 -2.225 1.00 0.00 C ATOM 224 C ASN A 14 6.002 -3.420 -2.281 1.00 0.00 C ATOM 225 O ASN A 14 6.531 -4.519 -2.111 1.00 0.00 O ATOM 226 CB ASN A 14 3.997 -2.541 -3.481 1.00 0.00 C ATOM 227 CG ASN A 14 3.834 -3.527 -4.634 1.00 0.00 C ATOM 228 OD1 ASN A 14 3.272 -3.180 -5.673 1.00 0.00 O ATOM 229 ND2 ASN A 14 4.296 -4.741 -4.513 1.00 0.00 N ATOM 0 H ASN A 14 4.496 -1.581 -0.972 1.00 0.00 H new ATOM 0 HA ASN A 14 4.032 -4.257 -2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.046 -2.049 -3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.707 -1.761 -3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.192 -5.405 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.761 -5.026 -3.651 1.00 0.00 H new ATOM 236 N GLU A 15 6.690 -2.308 -2.519 1.00 0.00 N ATOM 237 CA GLU A 15 8.148 -2.315 -2.598 1.00 0.00 C ATOM 238 C GLU A 15 8.741 -1.320 -1.605 1.00 0.00 C ATOM 239 O GLU A 15 8.544 -0.111 -1.730 1.00 0.00 O ATOM 240 CB GLU A 15 8.596 -1.953 -4.015 1.00 0.00 C ATOM 241 CG GLU A 15 9.708 -2.907 -4.458 1.00 0.00 C ATOM 242 CD GLU A 15 10.382 -2.375 -5.717 1.00 0.00 C ATOM 243 OE1 GLU A 15 10.008 -2.809 -6.795 1.00 0.00 O ATOM 244 OE2 GLU A 15 11.264 -1.542 -5.587 1.00 0.00 O ATOM 0 H GLU A 15 6.264 -1.392 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 15 8.503 -3.315 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.752 -2.017 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.953 -0.923 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.443 -3.016 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.294 -3.897 -4.648 1.00 0.00 H new ATOM 251 N ARG A 16 9.467 -1.838 -0.619 1.00 0.00 N ATOM 252 CA ARG A 16 10.084 -0.986 0.392 1.00 0.00 C ATOM 253 C ARG A 16 10.733 0.232 -0.257 1.00 0.00 C ATOM 254 O ARG A 16 11.047 0.219 -1.448 1.00 0.00 O ATOM 255 CB ARG A 16 11.140 -1.777 1.168 1.00 0.00 C ATOM 256 CG ARG A 16 11.015 -1.476 2.664 1.00 0.00 C ATOM 257 CD ARG A 16 9.816 -2.231 3.243 1.00 0.00 C ATOM 258 NE ARG A 16 9.063 -1.364 4.155 1.00 0.00 N ATOM 259 CZ ARG A 16 7.982 -1.810 4.785 1.00 0.00 C ATOM 260 NH1 ARG A 16 7.325 -1.023 5.593 1.00 0.00 N ATOM 261 NH2 ARG A 16 7.576 -3.036 4.597 1.00 0.00 N ATOM 0 H ARG A 16 9.642 -2.836 -0.499 1.00 0.00 H new ATOM 0 HA ARG A 16 9.307 -0.647 1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.012 -2.845 0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 16 12.137 -1.513 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.928 -1.771 3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.892 -0.404 2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.168 -2.572 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.158 -3.119 3.774 1.00 0.00 H new ATOM 0 HE ARG A 16 9.374 -0.405 4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.642 -0.065 5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.495 -1.366 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.089 -3.652 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.746 -3.378 5.081 1.00 0.00 H new TER 275 ARG A 16