USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 132 hydrogens (0 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 Single : A 1 LYS N :NH3+ 177:sc= -4.11! (180deg=-4.26!) USER MOD Single : A 1 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00276) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= -0.0958 (180deg=-0.558) USER MOD Single : A 8 GLN : amide:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.329 0.000 0.000 1.00 13.00 N ATOM 2 CA LYS A 1 2.094 -0.002 -1.241 1.00 3.51 C ATOM 3 C LYS A 1 2.935 1.265 -1.363 1.00 5.12 C ATOM 4 O LYS A 1 4.008 1.255 -1.969 1.00 74.42 O ATOM 5 CB LYS A 1 1.155 -0.120 -2.443 1.00 63.54 C ATOM 6 CG LYS A 1 -0.317 -0.066 -2.073 1.00 42.44 C ATOM 7 CD LYS A 1 -0.743 1.341 -1.688 1.00 3.04 C ATOM 8 CE LYS A 1 -2.248 1.520 -1.807 1.00 35.10 C ATOM 9 NZ LYS A 1 -2.674 1.709 -3.221 1.00 51.44 N ATOM 0 H1 LYS A 1 0.726 -0.847 0.038 1.00 13.00 H new ATOM 0 H2 LYS A 1 1.981 -0.003 0.810 1.00 13.00 H new ATOM 0 H3 LYS A 1 0.733 0.851 0.039 1.00 13.00 H new ATOM 0 HA LYS A 1 2.763 -0.862 -1.225 1.00 3.51 H new ATOM 0 HB2 LYS A 1 1.374 0.685 -3.145 1.00 63.54 H new ATOM 0 HB3 LYS A 1 1.357 -1.058 -2.960 1.00 63.54 H new ATOM 0 HG2 LYS A 1 -0.918 -0.412 -2.914 1.00 42.44 H new ATOM 0 HG3 LYS A 1 -0.510 -0.746 -1.243 1.00 42.44 H new ATOM 0 HD2 LYS A 1 -0.431 1.550 -0.665 1.00 3.04 H new ATOM 0 HD3 LYS A 1 -0.238 2.063 -2.329 1.00 3.04 H new ATOM 0 HE2 LYS A 1 -2.752 0.648 -1.390 1.00 35.10 H new ATOM 0 HE3 LYS A 1 -2.559 2.381 -1.216 1.00 35.10 H new ATOM 0 HZ1 LYS A 1 -3.700 1.878 -3.255 1.00 51.44 H new ATOM 0 HZ2 LYS A 1 -2.175 2.526 -3.628 1.00 51.44 H new ATOM 0 HZ3 LYS A 1 -2.446 0.855 -3.769 1.00 51.44 H new ATOM 23 N LEU A 2 2.444 2.354 -0.782 1.00 41.11 N ATOM 24 CA LEU A 2 3.152 3.629 -0.824 1.00 52.13 C ATOM 25 C LEU A 2 4.602 3.462 -0.382 1.00 60.13 C ATOM 26 O LEU A 2 4.882 3.258 0.798 1.00 4.42 O ATOM 27 CB LEU A 2 2.450 4.654 0.068 1.00 53.30 C ATOM 28 CG LEU A 2 1.217 5.333 -0.531 1.00 4.11 C ATOM 29 CD1 LEU A 2 0.322 4.310 -1.212 1.00 62.40 C ATOM 30 CD2 LEU A 2 0.448 6.086 0.544 1.00 34.15 C ATOM 0 H LEU A 2 1.559 2.380 -0.276 1.00 41.11 H new ATOM 0 HA LEU A 2 3.145 3.987 -1.854 1.00 52.13 H new ATOM 0 HB2 LEU A 2 2.154 4.159 0.993 1.00 53.30 H new ATOM 0 HB3 LEU A 2 3.171 5.426 0.337 1.00 53.30 H new ATOM 0 HG LEU A 2 1.550 6.050 -1.281 1.00 4.11 H new ATOM 0 HD11 LEU A 2 -0.550 4.812 -1.632 1.00 62.40 H new ATOM 0 HD12 LEU A 2 0.876 3.816 -2.010 1.00 62.40 H new ATOM 0 HD13 LEU A 2 -0.003 3.568 -0.483 1.00 62.40 H new ATOM 0 HD21 LEU A 2 -0.426 6.563 0.100 1.00 34.15 H new ATOM 0 HD22 LEU A 2 0.127 5.389 1.318 1.00 34.15 H new ATOM 0 HD23 LEU A 2 1.091 6.847 0.986 1.00 34.15 H new ATOM 42 N GLY A 3 5.521 3.551 -1.339 1.00 2.41 N ATOM 43 CA GLY A 3 6.932 3.410 -1.028 1.00 74.31 C ATOM 44 C GLY A 3 7.548 2.186 -1.676 1.00 31.43 C ATOM 45 O GLY A 3 8.759 2.131 -1.890 1.00 21.24 O ATOM 0 H GLY A 3 5.314 3.718 -2.324 1.00 2.41 H new ATOM 0 HA2 GLY A 3 7.465 4.301 -1.361 1.00 74.31 H new ATOM 0 HA3 GLY A 3 7.058 3.348 0.053 1.00 74.31 H new ATOM 49 N PHE A 4 6.713 1.200 -1.987 1.00 63.53 N ATOM 50 CA PHE A 4 7.184 -0.031 -2.612 1.00 34.41 C ATOM 51 C PHE A 4 7.243 0.117 -4.129 1.00 62.04 C ATOM 52 O PHE A 4 8.225 -0.269 -4.764 1.00 41.21 O ATOM 53 CB PHE A 4 6.269 -1.200 -2.238 1.00 0.31 C ATOM 54 CG PHE A 4 5.489 -1.746 -3.399 1.00 54.34 C ATOM 55 CD1 PHE A 4 6.055 -2.676 -4.255 1.00 71.44 C ATOM 56 CD2 PHE A 4 4.189 -1.328 -3.635 1.00 52.34 C ATOM 57 CE1 PHE A 4 5.339 -3.181 -5.325 1.00 24.11 C ATOM 58 CE2 PHE A 4 3.468 -1.829 -4.703 1.00 24.11 C ATOM 59 CZ PHE A 4 4.045 -2.756 -5.549 1.00 53.04 C ATOM 0 H PHE A 4 5.708 1.229 -1.817 1.00 63.53 H new ATOM 0 HA PHE A 4 8.190 -0.233 -2.245 1.00 34.41 H new ATOM 0 HB2 PHE A 4 6.872 -2.000 -1.808 1.00 0.31 H new ATOM 0 HB3 PHE A 4 5.574 -0.874 -1.465 1.00 0.31 H new ATOM 0 HD1 PHE A 4 7.068 -3.011 -4.085 1.00 71.44 H new ATOM 0 HD2 PHE A 4 3.734 -0.603 -2.977 1.00 52.34 H new ATOM 0 HE1 PHE A 4 5.792 -3.907 -5.984 1.00 24.11 H new ATOM 0 HE2 PHE A 4 2.455 -1.496 -4.876 1.00 24.11 H new ATOM 0 HZ PHE A 4 3.484 -3.148 -6.385 1.00 53.04 H new ATOM 69 N PHE A 5 6.185 0.678 -4.705 1.00 1.31 N ATOM 70 CA PHE A 5 6.115 0.877 -6.148 1.00 22.21 C ATOM 71 C PHE A 5 6.868 2.138 -6.561 1.00 3.14 C ATOM 72 O PHE A 5 7.356 2.244 -7.686 1.00 22.00 O ATOM 73 CB PHE A 5 4.657 0.969 -6.601 1.00 73.34 C ATOM 74 CG PHE A 5 3.908 2.115 -5.984 1.00 0.03 C ATOM 75 CD1 PHE A 5 3.906 3.363 -6.586 1.00 3.15 C ATOM 76 CD2 PHE A 5 3.206 1.944 -4.802 1.00 14.43 C ATOM 77 CE1 PHE A 5 3.219 4.420 -6.019 1.00 32.42 C ATOM 78 CE2 PHE A 5 2.516 2.997 -4.230 1.00 52.25 C ATOM 79 CZ PHE A 5 2.522 4.236 -4.841 1.00 13.25 C ATOM 0 H PHE A 5 5.364 1.003 -4.194 1.00 1.31 H new ATOM 0 HA PHE A 5 6.585 0.020 -6.631 1.00 22.21 H new ATOM 0 HB2 PHE A 5 4.628 1.069 -7.686 1.00 73.34 H new ATOM 0 HB3 PHE A 5 4.148 0.037 -6.353 1.00 73.34 H new ATOM 0 HD1 PHE A 5 4.447 3.512 -7.509 1.00 3.15 H new ATOM 0 HD2 PHE A 5 3.198 0.977 -4.322 1.00 14.43 H new ATOM 0 HE1 PHE A 5 3.227 5.389 -6.497 1.00 32.42 H new ATOM 0 HE2 PHE A 5 1.974 2.851 -3.308 1.00 52.25 H new ATOM 0 HZ PHE A 5 1.982 5.060 -4.398 1.00 13.25 H new ATOM 89 N LYS A 6 6.958 3.093 -5.641 1.00 43.45 N ATOM 90 CA LYS A 6 7.652 4.348 -5.907 1.00 12.31 C ATOM 91 C LYS A 6 9.147 4.114 -6.097 1.00 0.03 C ATOM 92 O LYS A 6 9.787 4.765 -6.923 1.00 11.13 O ATOM 93 CB LYS A 6 7.421 5.335 -4.760 1.00 71.10 C ATOM 94 CG LYS A 6 6.001 5.869 -4.694 1.00 34.02 C ATOM 95 CD LYS A 6 5.605 6.562 -5.987 1.00 13.54 C ATOM 96 CE LYS A 6 4.467 7.547 -5.765 1.00 10.30 C ATOM 97 NZ LYS A 6 4.878 8.683 -4.893 1.00 60.35 N ATOM 0 H LYS A 6 6.559 3.022 -4.705 1.00 43.45 H new ATOM 0 HA LYS A 6 7.249 4.769 -6.828 1.00 12.31 H new ATOM 0 HB2 LYS A 6 7.660 4.845 -3.816 1.00 71.10 H new ATOM 0 HB3 LYS A 6 8.110 6.172 -4.868 1.00 71.10 H new ATOM 0 HG2 LYS A 6 5.312 5.049 -4.494 1.00 34.02 H new ATOM 0 HG3 LYS A 6 5.913 6.569 -3.863 1.00 34.02 H new ATOM 0 HD2 LYS A 6 6.467 7.087 -6.399 1.00 13.54 H new ATOM 0 HD3 LYS A 6 5.304 5.817 -6.723 1.00 13.54 H new ATOM 0 HE2 LYS A 6 4.127 7.932 -6.727 1.00 10.30 H new ATOM 0 HE3 LYS A 6 3.622 7.029 -5.312 1.00 10.30 H new ATOM 0 HZ1 LYS A 6 4.257 9.498 -5.069 1.00 60.35 H new ATOM 0 HZ2 LYS A 6 4.803 8.400 -3.895 1.00 60.35 H new ATOM 0 HZ3 LYS A 6 5.862 8.945 -5.105 1.00 60.35 H new ATOM 111 N ARG A 7 9.697 3.180 -5.328 1.00 63.11 N ATOM 112 CA ARG A 7 11.117 2.860 -5.412 1.00 62.14 C ATOM 113 C ARG A 7 11.387 1.880 -6.550 1.00 70.41 C ATOM 114 O ARG A 7 12.444 1.921 -7.179 1.00 72.23 O ATOM 115 CB ARG A 7 11.608 2.270 -4.089 1.00 62.22 C ATOM 116 CG ARG A 7 13.117 2.334 -3.916 1.00 71.24 C ATOM 117 CD ARG A 7 13.646 1.112 -3.181 1.00 13.31 C ATOM 118 NE ARG A 7 14.290 1.469 -1.920 1.00 44.20 N ATOM 119 CZ ARG A 7 14.581 0.589 -0.969 1.00 4.15 C ATOM 120 NH1 ARG A 7 14.287 -0.693 -1.134 1.00 41.02 N ATOM 121 NH2 ARG A 7 15.169 0.991 0.151 1.00 33.05 N ATOM 0 H ARG A 7 9.181 2.632 -4.640 1.00 63.11 H new ATOM 0 HA ARG A 7 11.660 3.783 -5.614 1.00 62.14 H new ATOM 0 HB2 ARG A 7 11.133 2.803 -3.265 1.00 62.22 H new ATOM 0 HB3 ARG A 7 11.287 1.230 -4.023 1.00 62.22 H new ATOM 0 HG2 ARG A 7 13.594 2.406 -4.894 1.00 71.24 H new ATOM 0 HG3 ARG A 7 13.383 3.235 -3.364 1.00 71.24 H new ATOM 0 HD2 ARG A 7 12.825 0.422 -2.986 1.00 13.31 H new ATOM 0 HD3 ARG A 7 14.359 0.587 -3.817 1.00 13.31 H new ATOM 0 HE ARG A 7 14.529 2.448 -1.761 1.00 44.20 H new ATOM 0 HH11 ARG A 7 13.836 -1.006 -1.994 1.00 41.02 H new ATOM 0 HH12 ARG A 7 14.512 -1.366 -0.401 1.00 41.02 H new ATOM 0 HH21 ARG A 7 15.398 1.976 0.282 1.00 33.05 H new ATOM 0 HH22 ARG A 7 15.392 0.315 0.881 1.00 33.05 H new ATOM 135 N GLN A 8 10.425 1.000 -6.807 1.00 35.31 N ATOM 136 CA GLN A 8 10.560 0.009 -7.868 1.00 35.52 C ATOM 137 C GLN A 8 10.296 0.634 -9.234 1.00 31.34 C ATOM 138 O GLN A 8 10.763 0.134 -10.257 1.00 65.30 O ATOM 139 CB GLN A 8 9.596 -1.156 -7.632 1.00 61.02 C ATOM 140 CG GLN A 8 10.199 -2.517 -7.941 1.00 5.23 C ATOM 141 CD GLN A 8 9.148 -3.595 -8.117 1.00 43.23 C ATOM 142 OE1 GLN A 8 9.069 -4.536 -7.327 1.00 53.21 O ATOM 143 NE2 GLN A 8 8.334 -3.463 -9.158 1.00 30.21 N ATOM 0 H GLN A 8 9.544 0.953 -6.295 1.00 35.31 H new ATOM 0 HA GLN A 8 11.583 -0.366 -7.852 1.00 35.52 H new ATOM 0 HB2 GLN A 8 9.268 -1.141 -6.593 1.00 61.02 H new ATOM 0 HB3 GLN A 8 8.708 -1.013 -8.248 1.00 61.02 H new ATOM 0 HG2 GLN A 8 10.798 -2.447 -8.849 1.00 5.23 H new ATOM 0 HG3 GLN A 8 10.875 -2.802 -7.135 1.00 5.23 H new ATOM 0 HE21 GLN A 8 8.436 -2.667 -9.787 1.00 30.21 H new ATOM 0 HE22 GLN A 8 7.607 -4.158 -9.328 1.00 30.21 H new ATOM 152 N TYR A 9 9.544 1.729 -9.242 1.00 63.11 N ATOM 153 CA TYR A 9 9.216 2.421 -10.483 1.00 20.12 C ATOM 154 C TYR A 9 10.339 3.370 -10.891 1.00 13.03 C ATOM 155 O TYR A 9 10.602 3.566 -12.077 1.00 40.33 O ATOM 156 CB TYR A 9 7.908 3.198 -10.327 1.00 74.11 C ATOM 157 CG TYR A 9 6.672 2.335 -10.455 1.00 4.41 C ATOM 158 CD1 TYR A 9 6.732 0.965 -10.235 1.00 70.25 C ATOM 159 CD2 TYR A 9 5.445 2.892 -10.794 1.00 61.33 C ATOM 160 CE1 TYR A 9 5.606 0.173 -10.352 1.00 10.10 C ATOM 161 CE2 TYR A 9 4.313 2.108 -10.912 1.00 25.14 C ATOM 162 CZ TYR A 9 4.399 0.749 -10.690 1.00 2.20 C ATOM 163 OH TYR A 9 3.275 -0.036 -10.806 1.00 11.14 O ATOM 0 H TYR A 9 9.150 2.156 -8.404 1.00 63.11 H new ATOM 0 HA TYR A 9 9.095 1.672 -11.266 1.00 20.12 H new ATOM 0 HB2 TYR A 9 7.900 3.688 -9.353 1.00 74.11 H new ATOM 0 HB3 TYR A 9 7.871 3.985 -11.080 1.00 74.11 H new ATOM 0 HD1 TYR A 9 7.675 0.511 -9.968 1.00 70.25 H new ATOM 0 HD2 TYR A 9 5.375 3.956 -10.968 1.00 61.33 H new ATOM 0 HE1 TYR A 9 5.670 -0.891 -10.180 1.00 10.10 H new ATOM 0 HE2 TYR A 9 3.367 2.556 -11.176 1.00 25.14 H new ATOM 0 HH TYR A 9 2.508 0.524 -11.049 1.00 11.14 H new ATOM 173 N LYS A 10 10.998 3.957 -9.898 1.00 25.32 N ATOM 174 CA LYS A 10 12.095 4.884 -10.150 1.00 12.31 C ATOM 175 C LYS A 10 13.358 4.135 -10.560 1.00 63.32 C ATOM 176 O LYS A 10 14.216 4.679 -11.255 1.00 43.12 O ATOM 177 CB LYS A 10 12.372 5.729 -8.904 1.00 41.02 C ATOM 178 CG LYS A 10 11.466 6.942 -8.778 1.00 22.43 C ATOM 179 CD LYS A 10 11.612 7.607 -7.419 1.00 75.13 C ATOM 180 CE LYS A 10 11.389 9.109 -7.508 1.00 33.13 C ATOM 181 NZ LYS A 10 12.666 9.866 -7.402 1.00 4.42 N ATOM 0 H LYS A 10 10.791 3.807 -8.910 1.00 25.32 H new ATOM 0 HA LYS A 10 11.802 5.540 -10.969 1.00 12.31 H new ATOM 0 HB2 LYS A 10 12.254 5.105 -8.018 1.00 41.02 H new ATOM 0 HB3 LYS A 10 13.410 6.062 -8.924 1.00 41.02 H new ATOM 0 HG2 LYS A 10 11.705 7.659 -9.563 1.00 22.43 H new ATOM 0 HG3 LYS A 10 10.429 6.640 -8.927 1.00 22.43 H new ATOM 0 HD2 LYS A 10 10.896 7.172 -6.721 1.00 75.13 H new ATOM 0 HD3 LYS A 10 12.607 7.409 -7.020 1.00 75.13 H new ATOM 0 HE2 LYS A 10 10.902 9.349 -8.453 1.00 33.13 H new ATOM 0 HE3 LYS A 10 10.713 9.424 -6.713 1.00 33.13 H new ATOM 0 HZ1 LYS A 10 12.472 10.886 -7.467 1.00 4.42 H new ATOM 0 HZ2 LYS A 10 13.118 9.657 -6.489 1.00 4.42 H new ATOM 0 HZ3 LYS A 10 13.302 9.585 -8.176 1.00 4.42 H new ATOM 195 N ASP A 11 13.465 2.883 -10.127 1.00 42.41 N ATOM 196 CA ASP A 11 14.623 2.058 -10.452 1.00 11.22 C ATOM 197 C ASP A 11 14.558 1.576 -11.898 1.00 2.04 C ATOM 198 O ASP A 11 15.579 1.493 -12.580 1.00 74.45 O ATOM 199 CB ASP A 11 14.704 0.860 -9.505 1.00 34.04 C ATOM 200 CG ASP A 11 16.132 0.429 -9.237 1.00 2.02 C ATOM 201 OD1 ASP A 11 16.982 0.598 -10.137 1.00 31.43 O ATOM 202 OD2 ASP A 11 16.401 -0.076 -8.127 1.00 31.11 O ATOM 0 H ASP A 11 12.764 2.418 -9.550 1.00 42.41 H new ATOM 0 HA ASP A 11 15.518 2.668 -10.331 1.00 11.22 H new ATOM 0 HB2 ASP A 11 14.221 1.113 -8.561 1.00 34.04 H new ATOM 0 HB3 ASP A 11 14.150 0.025 -9.933 1.00 34.04 H new ATOM 207 N MET A 12 13.352 1.259 -12.357 1.00 21.22 N ATOM 208 CA MET A 12 13.155 0.785 -13.722 1.00 32.12 C ATOM 209 C MET A 12 13.030 1.956 -14.691 1.00 54.02 C ATOM 210 O MET A 12 13.114 1.780 -15.906 1.00 62.41 O ATOM 211 CB MET A 12 11.906 -0.095 -13.803 1.00 62.43 C ATOM 212 CG MET A 12 10.606 0.682 -13.679 1.00 34.50 C ATOM 213 SD MET A 12 9.163 -0.394 -13.557 1.00 3.55 S ATOM 214 CE MET A 12 8.340 -0.034 -15.106 1.00 44.12 C ATOM 0 H MET A 12 12.497 1.322 -11.804 1.00 21.22 H new ATOM 0 HA MET A 12 14.026 0.194 -14.005 1.00 32.12 H new ATOM 0 HB2 MET A 12 11.910 -0.631 -14.752 1.00 62.43 H new ATOM 0 HB3 MET A 12 11.948 -0.845 -13.013 1.00 62.43 H new ATOM 0 HG2 MET A 12 10.652 1.322 -12.798 1.00 34.50 H new ATOM 0 HG3 MET A 12 10.494 1.337 -14.543 1.00 34.50 H new ATOM 0 HE1 MET A 12 7.427 -0.625 -15.179 1.00 44.12 H new ATOM 0 HE2 MET A 12 8.091 1.026 -15.148 1.00 44.12 H new ATOM 0 HE3 MET A 12 9.001 -0.284 -15.936 1.00 44.12 H new ATOM 224 N MET A 13 12.827 3.151 -14.146 1.00 24.13 N ATOM 225 CA MET A 13 12.692 4.351 -14.963 1.00 74.34 C ATOM 226 C MET A 13 14.039 4.767 -15.546 1.00 35.10 C ATOM 227 O MET A 13 14.098 5.477 -16.550 1.00 25.12 O ATOM 228 CB MET A 13 12.106 5.495 -14.134 1.00 52.33 C ATOM 229 CG MET A 13 10.817 6.063 -14.707 1.00 44.10 C ATOM 230 SD MET A 13 10.536 7.776 -14.219 1.00 72.10 S ATOM 231 CE MET A 13 10.092 8.508 -15.792 1.00 73.44 C ATOM 0 H MET A 13 12.752 3.314 -13.142 1.00 24.13 H new ATOM 0 HA MET A 13 12.015 4.125 -15.787 1.00 74.34 H new ATOM 0 HB2 MET A 13 11.918 5.139 -13.121 1.00 52.33 H new ATOM 0 HB3 MET A 13 12.844 6.294 -14.060 1.00 52.33 H new ATOM 0 HG2 MET A 13 10.848 6.000 -15.795 1.00 44.10 H new ATOM 0 HG3 MET A 13 9.977 5.452 -14.376 1.00 44.10 H new ATOM 0 HE1 MET A 13 9.888 9.570 -15.654 1.00 73.44 H new ATOM 0 HE2 MET A 13 10.915 8.385 -16.496 1.00 73.44 H new ATOM 0 HE3 MET A 13 9.202 8.015 -16.184 1.00 73.44 H new ATOM 251 N GLU A 15 16.596 2.309 -15.979 1.00 21.24 N ATOM 252 CA GLU A 15 17.060 1.157 -16.744 1.00 10.43 C ATOM 253 C GLU A 15 16.161 0.909 -17.951 1.00 71.25 C ATOM 254 O GLU A 15 16.635 0.549 -19.028 1.00 72.22 O ATOM 255 CB GLU A 15 17.099 -0.090 -15.858 1.00 10.41 C ATOM 256 CG GLU A 15 18.172 -0.040 -14.783 1.00 42.55 C ATOM 257 CD GLU A 15 18.765 -1.403 -14.487 1.00 33.52 C ATOM 258 OE1 GLU A 15 18.179 -2.414 -14.928 1.00 63.14 O ATOM 259 OE2 GLU A 15 19.815 -1.460 -13.813 1.00 14.44 O ATOM 0 HA GLU A 15 18.067 1.371 -17.101 1.00 10.43 H new ATOM 0 HB2 GLU A 15 16.126 -0.218 -15.383 1.00 10.41 H new ATOM 0 HB3 GLU A 15 17.265 -0.966 -16.485 1.00 10.41 H new ATOM 0 HG2 GLU A 15 18.966 0.637 -15.099 1.00 42.55 H new ATOM 0 HG3 GLU A 15 17.746 0.373 -13.869 1.00 42.55 H new ATOM 266 N GLY A 16 14.859 1.103 -17.763 1.00 1.30 N ATOM 267 CA GLY A 16 13.914 0.895 -18.844 1.00 53.02 C ATOM 268 C GLY A 16 13.941 -0.525 -19.372 1.00 71.55 C ATOM 269 O GLY A 16 13.437 -0.800 -20.461 1.00 21.23 O ATOM 0 H GLY A 16 14.442 1.401 -16.881 1.00 1.30 H new ATOM 0 HA2 GLY A 16 12.909 1.130 -18.494 1.00 53.02 H new ATOM 0 HA3 GLY A 16 14.138 1.586 -19.657 1.00 53.02 H new