USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 138 hydrogens (4 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 11 SEP H2 : A 11 SEP N : A 10 ARG C :(H bumps) USER MOD Single : A 1 ARG N :NH3+ 164:sc= 0 (180deg=-0.192) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.117 USER MOD Single : A 16 SER OG : rot -120:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.087 0.178 -1.254 1.00 13.10 N ATOM 2 CA ARG A 1 2.800 0.394 -1.904 1.00 51.32 C ATOM 3 C ARG A 1 2.651 1.847 -2.345 1.00 40.54 C ATOM 4 O ARG A 1 1.868 2.604 -1.771 1.00 72.22 O ATOM 5 CB ARG A 1 1.657 0.017 -0.959 1.00 43.35 C ATOM 6 CG ARG A 1 1.766 0.658 0.414 1.00 2.53 C ATOM 7 CD ARG A 1 2.293 -0.325 1.448 1.00 51.12 C ATOM 8 NE ARG A 1 1.668 -0.133 2.754 1.00 61.21 N ATOM 9 CZ ARG A 1 1.959 -0.866 3.823 1.00 64.34 C ATOM 10 NH1 ARG A 1 2.861 -1.835 3.741 1.00 45.44 N ATOM 11 NH2 ARG A 1 1.348 -0.631 4.977 1.00 63.23 N ATOM 0 H1 ARG A 1 4.064 -0.719 -0.729 1.00 13.10 H new ATOM 0 H2 ARG A 1 4.837 0.140 -1.973 1.00 13.10 H new ATOM 0 H3 ARG A 1 4.279 0.960 -0.595 1.00 13.10 H new ATOM 0 HA ARG A 1 2.756 -0.243 -2.788 1.00 51.32 H new ATOM 0 HB2 ARG A 1 0.710 0.309 -1.413 1.00 43.35 H new ATOM 0 HB3 ARG A 1 1.634 -1.067 -0.844 1.00 43.35 H new ATOM 0 HG2 ARG A 1 2.428 1.522 0.362 1.00 2.53 H new ATOM 0 HG3 ARG A 1 0.787 1.024 0.724 1.00 2.53 H new ATOM 0 HD2 ARG A 1 2.111 -1.344 1.105 1.00 51.12 H new ATOM 0 HD3 ARG A 1 3.373 -0.208 1.542 1.00 51.12 H new ATOM 0 HE ARG A 1 0.970 0.604 2.851 1.00 61.21 H new ATOM 0 HH11 ARG A 1 3.333 -2.019 2.856 1.00 45.44 H new ATOM 0 HH12 ARG A 1 3.083 -2.396 4.563 1.00 45.44 H new ATOM 0 HH21 ARG A 1 0.654 0.113 5.044 1.00 63.23 H new ATOM 0 HH22 ARG A 1 1.572 -1.195 5.797 1.00 63.23 H new ATOM 25 N SER A 2 3.409 2.231 -3.368 1.00 75.42 N ATOM 26 CA SER A 2 3.364 3.594 -3.884 1.00 22.04 C ATOM 27 C SER A 2 2.237 3.755 -4.899 1.00 34.43 C ATOM 28 O SER A 2 1.633 4.822 -5.010 1.00 72.23 O ATOM 29 CB SER A 2 4.702 3.962 -4.528 1.00 61.32 C ATOM 30 OG SER A 2 5.236 2.868 -5.255 1.00 12.43 O ATOM 0 H SER A 2 4.061 1.617 -3.856 1.00 75.42 H new ATOM 0 HA SER A 2 3.174 4.266 -3.047 1.00 22.04 H new ATOM 0 HB2 SER A 2 4.566 4.814 -5.194 1.00 61.32 H new ATOM 0 HB3 SER A 2 5.408 4.270 -3.757 1.00 61.32 H new ATOM 0 HG SER A 2 6.090 3.129 -5.658 1.00 12.43 H new ATOM 36 N LYS A 3 1.958 2.686 -5.638 1.00 14.24 N ATOM 37 CA LYS A 3 0.902 2.705 -6.643 1.00 43.35 C ATOM 38 C LYS A 3 -0.474 2.731 -5.987 1.00 54.43 C ATOM 39 O LYS A 3 -1.440 3.228 -6.568 1.00 2.33 O ATOM 40 CB LYS A 3 1.020 1.484 -7.559 1.00 14.42 C ATOM 41 CG LYS A 3 1.519 1.816 -8.954 1.00 41.13 C ATOM 42 CD LYS A 3 0.597 1.256 -10.024 1.00 61.13 C ATOM 43 CE LYS A 3 0.670 2.072 -11.306 1.00 12.13 C ATOM 44 NZ LYS A 3 -0.605 2.793 -11.577 1.00 62.34 N ATOM 0 H LYS A 3 2.449 1.795 -5.559 1.00 14.24 H new ATOM 0 HA LYS A 3 1.017 3.611 -7.238 1.00 43.35 H new ATOM 0 HB2 LYS A 3 1.697 0.762 -7.102 1.00 14.42 H new ATOM 0 HB3 LYS A 3 0.045 1.003 -7.636 1.00 14.42 H new ATOM 0 HG2 LYS A 3 1.594 2.898 -9.067 1.00 41.13 H new ATOM 0 HG3 LYS A 3 2.522 1.411 -9.089 1.00 41.13 H new ATOM 0 HD2 LYS A 3 0.868 0.221 -10.234 1.00 61.13 H new ATOM 0 HD3 LYS A 3 -0.428 1.248 -9.654 1.00 61.13 H new ATOM 0 HE2 LYS A 3 1.486 2.791 -11.233 1.00 12.13 H new ATOM 0 HE3 LYS A 3 0.900 1.413 -12.143 1.00 12.13 H new ATOM 0 HZ1 LYS A 3 -0.515 3.337 -12.459 1.00 62.34 H new ATOM 0 HZ2 LYS A 3 -1.379 2.105 -11.672 1.00 62.34 H new ATOM 0 HZ3 LYS A 3 -0.812 3.440 -10.790 1.00 62.34 H new ATOM 58 N ASP A 4 -0.557 2.195 -4.775 1.00 0.02 N ATOM 59 CA ASP A 4 -1.815 2.159 -4.039 1.00 13.35 C ATOM 60 C ASP A 4 -2.029 3.456 -3.265 1.00 11.43 C ATOM 61 O ASP A 4 -3.164 3.854 -2.999 1.00 74.24 O ATOM 62 CB ASP A 4 -1.835 0.969 -3.078 1.00 75.15 C ATOM 63 CG ASP A 4 -2.592 -0.217 -3.643 1.00 32.40 C ATOM 64 OD1 ASP A 4 -2.253 -0.661 -4.760 1.00 51.34 O ATOM 65 OD2 ASP A 4 -3.523 -0.703 -2.967 1.00 21.00 O ATOM 0 H ASP A 4 0.232 1.779 -4.281 1.00 0.02 H new ATOM 0 HA ASP A 4 -2.625 2.048 -4.759 1.00 13.35 H new ATOM 0 HB2 ASP A 4 -0.811 0.670 -2.853 1.00 75.15 H new ATOM 0 HB3 ASP A 4 -2.292 1.273 -2.136 1.00 75.15 H new ATOM 70 N LEU A 5 -0.931 4.112 -2.904 1.00 73.11 N ATOM 71 CA LEU A 5 -0.998 5.364 -2.159 1.00 40.42 C ATOM 72 C LEU A 5 -1.419 6.516 -3.067 1.00 32.14 C ATOM 73 O LEU A 5 -2.012 7.494 -2.611 1.00 32.45 O ATOM 74 CB LEU A 5 0.357 5.673 -1.520 1.00 0.20 C ATOM 75 CG LEU A 5 0.355 5.868 -0.003 1.00 52.44 C ATOM 76 CD1 LEU A 5 0.369 4.524 0.708 1.00 55.22 C ATOM 77 CD2 LEU A 5 1.544 6.714 0.427 1.00 25.12 C ATOM 0 H LEU A 5 0.016 3.797 -3.115 1.00 73.11 H new ATOM 0 HA LEU A 5 -1.746 5.252 -1.374 1.00 40.42 H new ATOM 0 HB2 LEU A 5 1.043 4.861 -1.761 1.00 0.20 H new ATOM 0 HB3 LEU A 5 0.757 6.576 -1.982 1.00 0.20 H new ATOM 0 HG LEU A 5 -0.559 6.393 0.276 1.00 52.44 H new ATOM 0 HD11 LEU A 5 0.367 4.683 1.786 1.00 55.22 H new ATOM 0 HD12 LEU A 5 -0.515 3.953 0.424 1.00 55.22 H new ATOM 0 HD13 LEU A 5 1.265 3.971 0.424 1.00 55.22 H new ATOM 0 HD21 LEU A 5 1.527 6.843 1.509 1.00 25.12 H new ATOM 0 HD22 LEU A 5 2.469 6.216 0.135 1.00 25.12 H new ATOM 0 HD23 LEU A 5 1.489 7.690 -0.055 1.00 25.12 H new ATOM 89 N ARG A 6 -1.111 6.392 -4.353 1.00 64.23 N ATOM 90 CA ARG A 6 -1.458 7.422 -5.325 1.00 30.30 C ATOM 91 C ARG A 6 -2.959 7.697 -5.312 1.00 2.20 C ATOM 92 O ARG A 6 -3.397 8.821 -5.562 1.00 64.33 O ATOM 93 CB ARG A 6 -1.019 6.998 -6.728 1.00 4.32 C ATOM 94 CG ARG A 6 -0.958 8.148 -7.720 1.00 40.10 C ATOM 95 CD ARG A 6 -0.420 7.693 -9.068 1.00 2.34 C ATOM 96 NE ARG A 6 0.847 8.341 -9.398 1.00 54.32 N ATOM 97 CZ ARG A 6 1.659 7.919 -10.361 1.00 12.32 C ATOM 98 NH1 ARG A 6 1.338 6.855 -11.084 1.00 42.42 N ATOM 99 NH2 ARG A 6 2.794 8.562 -10.602 1.00 3.21 N ATOM 0 H ARG A 6 -0.622 5.588 -4.747 1.00 64.23 H new ATOM 0 HA ARG A 6 -0.935 8.338 -5.049 1.00 30.30 H new ATOM 0 HB2 ARG A 6 -0.037 6.530 -6.666 1.00 4.32 H new ATOM 0 HB3 ARG A 6 -1.709 6.242 -7.103 1.00 4.32 H new ATOM 0 HG2 ARG A 6 -1.954 8.572 -7.849 1.00 40.10 H new ATOM 0 HG3 ARG A 6 -0.323 8.940 -7.322 1.00 40.10 H new ATOM 0 HD2 ARG A 6 -0.282 6.612 -9.057 1.00 2.34 H new ATOM 0 HD3 ARG A 6 -1.153 7.913 -9.844 1.00 2.34 H new ATOM 0 HE ARG A 6 1.123 9.162 -8.860 1.00 54.32 H new ATOM 0 HH11 ARG A 6 0.466 6.359 -10.901 1.00 42.42 H new ATOM 0 HH12 ARG A 6 1.963 6.533 -11.823 1.00 42.42 H new ATOM 0 HH21 ARG A 6 3.044 9.381 -10.048 1.00 3.21 H new ATOM 0 HH22 ARG A 6 3.417 8.237 -11.342 1.00 3.21 H new ATOM 113 N HIS A 7 -3.742 6.664 -5.019 1.00 55.22 N ATOM 114 CA HIS A 7 -5.194 6.795 -4.973 1.00 75.05 C ATOM 115 C HIS A 7 -5.636 7.510 -3.700 1.00 22.10 C ATOM 116 O HIS A 7 -6.750 8.027 -3.621 1.00 61.31 O ATOM 117 CB HIS A 7 -5.854 5.418 -5.054 1.00 54.11 C ATOM 118 CG HIS A 7 -6.028 4.918 -6.455 1.00 51.32 C ATOM 119 ND1 HIS A 7 -6.987 3.993 -6.811 1.00 1.31 N ATOM 120 CD2 HIS A 7 -5.360 5.221 -7.593 1.00 5.25 C ATOM 121 CE1 HIS A 7 -6.899 3.748 -8.106 1.00 34.50 C ATOM 122 NE2 HIS A 7 -5.920 4.480 -8.604 1.00 1.51 N ATOM 0 H HIS A 7 -3.396 5.728 -4.810 1.00 55.22 H new ATOM 0 HA HIS A 7 -5.507 7.391 -5.830 1.00 75.05 H new ATOM 0 HB2 HIS A 7 -5.252 4.702 -4.494 1.00 54.11 H new ATOM 0 HB3 HIS A 7 -6.829 5.463 -4.569 1.00 54.11 H new ATOM 0 HD2 HIS A 7 -4.539 5.916 -7.688 1.00 5.25 H new ATOM 0 HE1 HIS A 7 -7.523 3.064 -8.663 1.00 34.50 H new ATOM 0 HE2 HIS A 7 -5.627 4.493 -9.581 1.00 1.51 H new ATOM 130 N ALA A 8 -4.755 7.534 -2.705 1.00 43.53 N ATOM 131 CA ALA A 8 -5.053 8.187 -1.436 1.00 72.24 C ATOM 132 C ALA A 8 -4.968 9.704 -1.565 1.00 64.25 C ATOM 133 O ALA A 8 -5.567 10.439 -0.780 1.00 71.51 O ATOM 134 CB ALA A 8 -4.105 7.693 -0.353 1.00 53.04 C ATOM 0 H ALA A 8 -3.829 7.109 -2.753 1.00 43.53 H new ATOM 0 HA ALA A 8 -6.074 7.930 -1.155 1.00 72.24 H new ATOM 0 HB1 ALA A 8 -4.339 8.189 0.589 1.00 53.04 H new ATOM 0 HB2 ALA A 8 -4.219 6.615 -0.234 1.00 53.04 H new ATOM 0 HB3 ALA A 8 -3.078 7.920 -0.637 1.00 53.04 H new ATOM 140 N PHE A 9 -4.218 10.167 -2.561 1.00 34.05 N ATOM 141 CA PHE A 9 -4.053 11.597 -2.791 1.00 51.42 C ATOM 142 C PHE A 9 -5.385 12.247 -3.157 1.00 24.31 C ATOM 143 O PHE A 9 -5.595 13.435 -2.915 1.00 1.31 O ATOM 144 CB PHE A 9 -3.031 11.841 -3.904 1.00 12.44 C ATOM 145 CG PHE A 9 -1.608 11.831 -3.423 1.00 52.41 C ATOM 146 CD1 PHE A 9 -1.019 10.656 -2.986 1.00 1.23 C ATOM 147 CD2 PHE A 9 -0.860 12.998 -3.408 1.00 60.44 C ATOM 148 CE1 PHE A 9 0.291 10.644 -2.543 1.00 75.52 C ATOM 149 CE2 PHE A 9 0.450 12.991 -2.967 1.00 72.15 C ATOM 150 CZ PHE A 9 1.025 11.813 -2.533 1.00 64.22 C ATOM 0 H PHE A 9 -3.716 9.573 -3.221 1.00 34.05 H new ATOM 0 HA PHE A 9 -3.690 12.049 -1.868 1.00 51.42 H new ATOM 0 HB2 PHE A 9 -3.152 11.077 -4.672 1.00 12.44 H new ATOM 0 HB3 PHE A 9 -3.240 12.802 -4.375 1.00 12.44 H new ATOM 0 HD1 PHE A 9 -1.589 9.739 -2.991 1.00 1.23 H new ATOM 0 HD2 PHE A 9 -1.306 13.923 -3.744 1.00 60.44 H new ATOM 0 HE1 PHE A 9 0.739 9.721 -2.205 1.00 75.52 H new ATOM 0 HE2 PHE A 9 1.023 13.906 -2.962 1.00 72.15 H new ATOM 0 HZ PHE A 9 2.048 11.806 -2.186 1.00 64.22 H new ATOM 160 N ARG A 10 -6.280 11.458 -3.742 1.00 21.21 N ATOM 161 CA ARG A 10 -7.590 11.955 -4.143 1.00 53.21 C ATOM 162 C ARG A 10 -8.497 12.139 -2.930 1.00 20.24 C ATOM 163 O ARG A 10 -9.403 12.969 -2.975 1.00 53.22 O ATOM 164 CB ARG A 10 -8.242 10.994 -5.139 1.00 25.32 C ATOM 165 CG ARG A 10 -9.666 11.373 -5.509 1.00 32.21 C ATOM 166 CD ARG A 10 -10.097 10.715 -6.811 1.00 13.44 C ATOM 167 NE ARG A 10 -11.538 10.478 -6.853 1.00 24.52 N ATOM 168 CZ ARG A 10 -12.114 9.602 -7.668 1.00 72.42 C ATOM 169 NH1 ARG A 10 -11.377 8.884 -8.504 1.00 43.13 N ATOM 170 NH2 ARG A 10 -13.431 9.442 -7.648 1.00 33.32 N ATOM 0 H ARG A 10 -6.122 10.472 -3.949 1.00 21.21 H new ATOM 0 HA ARG A 10 -7.451 12.924 -4.622 1.00 53.21 H new ATOM 0 HB2 ARG A 10 -7.638 10.959 -6.045 1.00 25.32 H new ATOM 0 HB3 ARG A 10 -8.241 9.990 -4.716 1.00 25.32 H new ATOM 0 HG2 ARG A 10 -10.343 11.075 -4.708 1.00 32.21 H new ATOM 0 HG3 ARG A 10 -9.742 12.456 -5.605 1.00 32.21 H new ATOM 0 HD2 ARG A 10 -9.809 11.348 -7.650 1.00 13.44 H new ATOM 0 HD3 ARG A 10 -9.570 9.768 -6.931 1.00 13.44 H new ATOM 0 HE ARG A 10 -12.134 11.014 -6.222 1.00 24.52 H new ATOM 0 HH11 ARG A 10 -10.364 9.004 -8.523 1.00 43.13 H new ATOM 0 HH12 ARG A 10 -11.823 8.212 -9.129 1.00 43.13 H new ATOM 0 HH21 ARG A 10 -14.002 9.992 -7.006 1.00 33.32 H new ATOM 0 HH22 ARG A 10 -13.873 8.769 -8.274 1.00 33.32 H new HETATM 184 N SEP A 11 -8.237 11.369 -1.883 1.00 62.33 N HETATM 185 CA SEP A 11 -9.057 11.459 -0.639 1.00 72.22 C HETATM 186 CB SEP A 11 -8.661 10.322 0.349 1.00 40.22 C HETATM 187 OG SEP A 11 -8.595 10.815 1.708 1.00 50.32 O HETATM 188 C SEP A 11 -8.969 12.854 -0.077 1.00 51.14 C HETATM 189 O SEP A 11 -9.931 13.419 0.441 1.00 14.40 O HETATM 190 P SEP A 11 -8.638 9.828 2.990 1.00 64.14 P HETATM 191 O1P SEP A 11 -10.001 9.949 3.662 1.00 24.41 O HETATM 192 O2P SEP A 11 -8.473 8.396 2.471 1.00 63.55 O HETATM 193 O3P SEP A 11 -7.514 10.170 3.960 1.00 63.24 O HETATM 0 HB3 SEP A 11 -9.388 9.512 0.287 1.00 40.22 H new HETATM 0 HB2 SEP A 11 -7.695 9.906 0.062 1.00 40.22 H new HETATM 0 HA SEP A 11 -10.113 11.293 -0.852 1.00 72.22 H new HETATM 0 H SEP A 11 -7.539 10.632 -1.982 1.00 62.33 H new ATOM 198 N MET A 12 -7.771 13.419 -0.189 1.00 15.34 N ATOM 199 CA MET A 12 -7.515 14.768 0.303 1.00 42.11 C ATOM 200 C MET A 12 -8.196 15.808 -0.581 1.00 62.24 C ATOM 201 O MET A 12 -8.514 16.908 -0.130 1.00 45.44 O ATOM 202 CB MET A 12 -6.010 15.036 0.358 1.00 25.13 C ATOM 203 CG MET A 12 -5.637 16.234 1.216 1.00 4.11 C ATOM 204 SD MET A 12 -4.069 16.978 0.726 1.00 51.21 S ATOM 205 CE MET A 12 -3.166 16.915 2.272 1.00 72.35 C ATOM 0 H MET A 12 -6.963 12.965 -0.615 1.00 15.34 H new ATOM 0 HA MET A 12 -7.928 14.846 1.309 1.00 42.11 H new ATOM 0 HB2 MET A 12 -5.506 14.151 0.745 1.00 25.13 H new ATOM 0 HB3 MET A 12 -5.640 15.196 -0.655 1.00 25.13 H new ATOM 0 HG2 MET A 12 -6.426 16.983 1.150 1.00 4.11 H new ATOM 0 HG3 MET A 12 -5.577 15.924 2.259 1.00 4.11 H new ATOM 0 HE1 MET A 12 -2.173 17.341 2.131 1.00 72.35 H new ATOM 0 HE2 MET A 12 -3.702 17.487 3.030 1.00 72.35 H new ATOM 0 HE3 MET A 12 -3.074 15.879 2.597 1.00 72.35 H new ATOM 215 N PHE A 13 -8.417 15.452 -1.843 1.00 21.15 N ATOM 216 CA PHE A 13 -9.059 16.355 -2.790 1.00 52.03 C ATOM 217 C PHE A 13 -10.534 16.544 -2.448 1.00 31.31 C ATOM 218 O PHE A 13 -11.130 15.763 -1.705 1.00 3.42 O ATOM 219 CB PHE A 13 -8.920 15.816 -4.216 1.00 2.05 C ATOM 220 CG PHE A 13 -7.948 16.593 -5.058 1.00 33.52 C ATOM 221 CD1 PHE A 13 -6.696 16.925 -4.566 1.00 72.31 C ATOM 222 CD2 PHE A 13 -8.287 16.990 -6.341 1.00 60.32 C ATOM 223 CE1 PHE A 13 -5.801 17.640 -5.339 1.00 21.22 C ATOM 224 CE2 PHE A 13 -7.396 17.705 -7.119 1.00 25.32 C ATOM 225 CZ PHE A 13 -6.150 18.029 -6.617 1.00 54.21 C ATOM 0 H PHE A 13 -8.161 14.545 -2.232 1.00 21.15 H new ATOM 0 HA PHE A 13 -8.562 17.323 -2.724 1.00 52.03 H new ATOM 0 HB2 PHE A 13 -8.600 14.775 -4.173 1.00 2.05 H new ATOM 0 HB3 PHE A 13 -9.898 15.829 -4.698 1.00 2.05 H new ATOM 0 HD1 PHE A 13 -6.417 16.622 -3.568 1.00 72.31 H new ATOM 0 HD2 PHE A 13 -9.259 16.738 -6.738 1.00 60.32 H new ATOM 0 HE1 PHE A 13 -4.829 17.894 -4.944 1.00 21.22 H new ATOM 0 HE2 PHE A 13 -7.673 18.010 -8.117 1.00 25.32 H new ATOM 0 HZ PHE A 13 -5.450 18.585 -7.223 1.00 54.21 H new ATOM 235 N PRO A 14 -11.138 17.605 -3.002 1.00 15.33 N ATOM 236 CA PRO A 14 -12.551 17.922 -2.770 1.00 2.41 C ATOM 237 C PRO A 14 -13.487 16.987 -3.528 1.00 22.15 C ATOM 238 O PRO A 14 -14.678 16.907 -3.226 1.00 24.11 O ATOM 239 CB PRO A 14 -12.684 19.354 -3.296 1.00 70.43 C ATOM 240 CG PRO A 14 -11.599 19.488 -4.308 1.00 71.54 C ATOM 241 CD PRO A 14 -10.490 18.578 -3.897 1.00 62.44 C ATOM 0 HA PRO A 14 -12.827 17.811 -1.721 1.00 2.41 H new ATOM 0 HB2 PRO A 14 -13.664 19.523 -3.742 1.00 70.43 H new ATOM 0 HB3 PRO A 14 -12.569 20.083 -2.494 1.00 70.43 H new ATOM 0 HG2 PRO A 14 -11.965 19.223 -5.300 1.00 71.54 H new ATOM 0 HG3 PRO A 14 -11.249 20.519 -4.362 1.00 71.54 H new ATOM 0 HD2 PRO A 14 -10.037 18.087 -4.758 1.00 62.44 H new ATOM 0 HD3 PRO A 14 -9.696 19.123 -3.386 1.00 62.44 H new ATOM 249 N SER A 15 -12.941 16.281 -4.512 1.00 63.42 N ATOM 250 CA SER A 15 -13.728 15.353 -5.315 1.00 73.43 C ATOM 251 C SER A 15 -14.138 14.135 -4.493 1.00 31.24 C ATOM 252 O SER A 15 -15.152 13.496 -4.772 1.00 72.34 O ATOM 253 CB SER A 15 -12.934 14.908 -6.545 1.00 22.23 C ATOM 254 OG SER A 15 -11.591 15.356 -6.474 1.00 33.32 O ATOM 0 H SER A 15 -11.956 16.334 -4.773 1.00 63.42 H new ATOM 0 HA SER A 15 -14.630 15.870 -5.641 1.00 73.43 H new ATOM 0 HB2 SER A 15 -12.955 13.821 -6.621 1.00 22.23 H new ATOM 0 HB3 SER A 15 -13.404 15.300 -7.447 1.00 22.23 H new ATOM 0 HG SER A 15 -11.104 15.058 -7.270 1.00 33.32 H new ATOM 260 N SER A 16 -13.341 13.820 -3.476 1.00 75.23 N ATOM 261 CA SER A 16 -13.618 12.677 -2.614 1.00 61.32 C ATOM 262 C SER A 16 -14.653 13.035 -1.552 1.00 71.12 C ATOM 263 O SER A 16 -15.451 12.194 -1.141 1.00 34.13 O ATOM 264 CB SER A 16 -12.330 12.193 -1.945 1.00 32.23 C ATOM 265 OG SER A 16 -11.800 11.063 -2.615 1.00 73.54 O ATOM 0 H SER A 16 -12.499 14.340 -3.229 1.00 75.23 H new ATOM 0 HA SER A 16 -14.021 11.876 -3.233 1.00 61.32 H new ATOM 0 HB2 SER A 16 -11.594 12.997 -1.943 1.00 32.23 H new ATOM 0 HB3 SER A 16 -12.530 11.941 -0.904 1.00 32.23 H new ATOM 0 HG SER A 16 -11.753 10.306 -1.994 1.00 73.54 H new ATOM 271 N GLU A 17 -14.632 14.290 -1.114 1.00 21.35 N ATOM 272 CA GLU A 17 -15.568 14.759 -0.099 1.00 1.32 C ATOM 273 C GLU A 17 -16.932 15.057 -0.714 1.00 14.24 C ATOM 274 O GLU A 17 -17.059 15.924 -1.578 1.00 24.02 O ATOM 275 CB GLU A 17 -15.022 16.012 0.590 1.00 41.04 C ATOM 276 CG GLU A 17 -13.691 15.791 1.289 1.00 52.20 C ATOM 277 CD GLU A 17 -12.961 17.089 1.576 1.00 21.34 C ATOM 278 OE1 GLU A 17 -13.635 18.130 1.723 1.00 63.34 O ATOM 279 OE2 GLU A 17 -11.715 17.062 1.655 1.00 3.34 O ATOM 0 H GLU A 17 -13.978 14.999 -1.446 1.00 21.35 H new ATOM 0 HA GLU A 17 -15.687 13.969 0.642 1.00 1.32 H new ATOM 0 HB2 GLU A 17 -14.907 16.803 -0.151 1.00 41.04 H new ATOM 0 HB3 GLU A 17 -15.752 16.363 1.319 1.00 41.04 H new ATOM 0 HG2 GLU A 17 -13.860 15.259 2.225 1.00 52.20 H new ATOM 0 HG3 GLU A 17 -13.061 15.153 0.669 1.00 52.20 H new TER 286 GLU A 17