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 2 SEP H2 : A 2 SEP N : A 1 ARG C :(H bumps) USER MOD Single : A 1 ARG N :NH3+ 171:sc= -0.366 (180deg=-0.766) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 11 SER OG : rot -61:sc= 0.0303 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -45:sc= 0.0197 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.808 -0.711 1.153 1.00 53.15 N ATOM 2 CA ARG A 1 3.102 -0.475 -0.256 1.00 3.13 C ATOM 3 C ARG A 1 4.599 -0.597 -0.526 1.00 2.32 C ATOM 4 O ARG A 1 5.092 0.016 -1.472 1.00 22.04 O ATOM 5 CB ARG A 1 2.608 0.910 -0.677 1.00 3.32 C ATOM 6 CG ARG A 1 3.160 2.040 0.178 1.00 32.51 C ATOM 7 CD ARG A 1 2.623 3.390 -0.269 1.00 40.22 C ATOM 8 NE ARG A 1 3.656 4.423 -0.252 1.00 32.34 N ATOM 9 CZ ARG A 1 3.541 5.587 -0.880 1.00 44.31 C ATOM 10 NH1 ARG A 1 2.445 5.866 -1.572 1.00 1.22 N ATOM 11 NH2 ARG A 1 4.525 6.476 -0.817 1.00 53.01 N ATOM 0 H1 ARG A 1 1.813 -0.475 1.344 1.00 53.15 H new ATOM 0 H2 ARG A 1 2.976 -1.712 1.380 1.00 53.15 H new ATOM 0 H3 ARG A 1 3.425 -0.114 1.741 1.00 53.15 H new ATOM 0 HA ARG A 1 2.581 -1.232 -0.842 1.00 3.13 H new ATOM 0 HB2 ARG A 1 2.884 1.084 -1.717 1.00 3.32 H new ATOM 0 HB3 ARG A 1 1.519 0.928 -0.629 1.00 3.32 H new ATOM 0 HG2 ARG A 1 2.896 1.870 1.222 1.00 32.51 H new ATOM 0 HG3 ARG A 1 4.248 2.043 0.120 1.00 32.51 H new ATOM 0 HD2 ARG A 1 2.215 3.302 -1.276 1.00 40.22 H new ATOM 0 HD3 ARG A 1 1.802 3.688 0.383 1.00 40.22 H new ATOM 0 HE ARG A 1 4.512 4.240 0.271 1.00 32.34 H new ATOM 0 HH11 ARG A 1 1.687 5.185 -1.623 1.00 1.22 H new ATOM 0 HH12 ARG A 1 2.360 6.761 -2.053 1.00 1.22 H new ATOM 0 HH21 ARG A 1 5.370 6.265 -0.286 1.00 53.01 H new ATOM 0 HH22 ARG A 1 4.436 7.370 -1.300 1.00 53.01 H new HETATM 25 N SEP A 2 5.281 -1.375 0.301 1.00 22.43 N HETATM 26 CA SEP A 2 6.752 -1.571 0.136 1.00 1.33 C HETATM 27 CB SEP A 2 7.395 -1.982 1.494 1.00 51.42 C HETATM 28 OG SEP A 2 6.562 -1.578 2.606 1.00 75.00 O HETATM 29 C SEP A 2 7.010 -2.519 -1.006 1.00 55.32 C HETATM 30 O SEP A 2 8.119 -2.645 -1.525 1.00 21.14 O HETATM 31 P SEP A 2 6.985 -0.387 3.617 1.00 53.33 P HETATM 32 O1P SEP A 2 5.848 0.627 3.690 1.00 45.44 O HETATM 33 O2P SEP A 2 7.176 -1.009 5.004 1.00 13.21 O HETATM 34 O3P SEP A 2 8.278 0.269 3.151 1.00 43.44 O HETATM 0 HB3 SEP A 2 7.542 -3.062 1.519 1.00 51.42 H new HETATM 0 HB2 SEP A 2 8.380 -1.524 1.588 1.00 51.42 H new HETATM 0 HA SEP A 2 7.243 -0.638 -0.139 1.00 1.33 H new HETATM 0 H SEP A 2 4.847 -1.514 1.214 1.00 22.43 H new ATOM 39 N LYS A 3 5.943 -3.204 -1.406 1.00 4.14 N ATOM 40 CA LYS A 3 6.016 -4.164 -2.501 1.00 4.13 C ATOM 41 C LYS A 3 6.132 -3.450 -3.844 1.00 12.45 C ATOM 42 O LYS A 3 6.652 -4.006 -4.810 1.00 65.05 O ATOM 43 CB LYS A 3 4.782 -5.068 -2.496 1.00 70.35 C ATOM 44 CG LYS A 3 3.488 -4.333 -2.801 1.00 22.10 C ATOM 45 CD LYS A 3 2.275 -5.135 -2.362 1.00 15.12 C ATOM 46 CE LYS A 3 2.251 -6.511 -3.010 1.00 52.53 C ATOM 47 NZ LYS A 3 0.909 -7.149 -2.909 1.00 1.51 N ATOM 0 H LYS A 3 5.017 -3.112 -0.988 1.00 4.14 H new ATOM 0 HA LYS A 3 6.907 -4.775 -2.357 1.00 4.13 H new ATOM 0 HB2 LYS A 3 4.921 -5.862 -3.230 1.00 70.35 H new ATOM 0 HB3 LYS A 3 4.697 -5.547 -1.521 1.00 70.35 H new ATOM 0 HG2 LYS A 3 3.489 -3.367 -2.296 1.00 22.10 H new ATOM 0 HG3 LYS A 3 3.425 -4.133 -3.871 1.00 22.10 H new ATOM 0 HD2 LYS A 3 2.282 -5.243 -1.277 1.00 15.12 H new ATOM 0 HD3 LYS A 3 1.366 -4.593 -2.623 1.00 15.12 H new ATOM 0 HE2 LYS A 3 2.533 -6.423 -4.059 1.00 52.53 H new ATOM 0 HE3 LYS A 3 2.994 -7.150 -2.533 1.00 52.53 H new ATOM 0 HZ1 LYS A 3 0.934 -8.085 -3.362 1.00 1.51 H new ATOM 0 HZ2 LYS A 3 0.650 -7.256 -1.907 1.00 1.51 H new ATOM 0 HZ3 LYS A 3 0.204 -6.552 -3.387 1.00 1.51 H new ATOM 61 N ASP A 4 5.644 -2.215 -3.895 1.00 44.04 N ATOM 62 CA ASP A 4 5.695 -1.424 -5.119 1.00 44.33 C ATOM 63 C ASP A 4 7.014 -0.664 -5.221 1.00 1.45 C ATOM 64 O ASP A 4 7.419 -0.243 -6.305 1.00 61.12 O ATOM 65 CB ASP A 4 4.522 -0.443 -5.167 1.00 64.33 C ATOM 66 CG ASP A 4 3.550 -0.758 -6.287 1.00 31.41 C ATOM 67 OD1 ASP A 4 3.940 -0.626 -7.466 1.00 31.14 O ATOM 68 OD2 ASP A 4 2.399 -1.136 -5.984 1.00 75.33 O ATOM 0 H ASP A 4 5.209 -1.741 -3.104 1.00 44.04 H new ATOM 0 HA ASP A 4 5.623 -2.106 -5.966 1.00 44.33 H new ATOM 0 HB2 ASP A 4 3.994 -0.466 -4.214 1.00 64.33 H new ATOM 0 HB3 ASP A 4 4.904 0.570 -5.295 1.00 64.33 H new ATOM 73 N LEU A 5 7.679 -0.490 -4.084 1.00 5.20 N ATOM 74 CA LEU A 5 8.953 0.221 -4.044 1.00 32.02 C ATOM 75 C LEU A 5 10.002 -0.494 -4.889 1.00 42.31 C ATOM 76 O LEU A 5 11.013 0.096 -5.271 1.00 3.25 O ATOM 77 CB LEU A 5 9.444 0.347 -2.601 1.00 14.25 C ATOM 78 CG LEU A 5 10.458 1.459 -2.332 1.00 24.15 C ATOM 79 CD1 LEU A 5 9.787 2.640 -1.648 1.00 5.21 C ATOM 80 CD2 LEU A 5 11.611 0.936 -1.487 1.00 21.11 C ATOM 0 H LEU A 5 7.358 -0.831 -3.178 1.00 5.20 H new ATOM 0 HA LEU A 5 8.798 1.218 -4.457 1.00 32.02 H new ATOM 0 HB2 LEU A 5 8.579 0.507 -1.957 1.00 14.25 H new ATOM 0 HB3 LEU A 5 9.890 -0.603 -2.306 1.00 14.25 H new ATOM 0 HG LEU A 5 10.858 1.798 -3.287 1.00 24.15 H new ATOM 0 HD11 LEU A 5 10.525 3.421 -1.465 1.00 5.21 H new ATOM 0 HD12 LEU A 5 8.996 3.030 -2.289 1.00 5.21 H new ATOM 0 HD13 LEU A 5 9.359 2.316 -0.700 1.00 5.21 H new ATOM 0 HD21 LEU A 5 12.323 1.741 -1.305 1.00 21.11 H new ATOM 0 HD22 LEU A 5 11.227 0.569 -0.535 1.00 21.11 H new ATOM 0 HD23 LEU A 5 12.109 0.123 -2.015 1.00 21.11 H new ATOM 92 N ARG A 6 9.754 -1.767 -5.180 1.00 12.51 N ATOM 93 CA ARG A 6 10.677 -2.561 -5.981 1.00 73.41 C ATOM 94 C ARG A 6 10.588 -2.176 -7.455 1.00 4.52 C ATOM 95 O ARG A 6 11.460 -2.524 -8.252 1.00 73.51 O ATOM 96 CB ARG A 6 10.377 -4.052 -5.814 1.00 74.14 C ATOM 97 CG ARG A 6 11.558 -4.951 -6.139 1.00 25.33 C ATOM 98 CD ARG A 6 11.309 -6.383 -5.689 1.00 43.55 C ATOM 99 NE ARG A 6 11.630 -7.349 -6.737 1.00 5.44 N ATOM 100 CZ ARG A 6 10.911 -7.500 -7.843 1.00 40.40 C ATOM 101 NH1 ARG A 6 9.835 -6.751 -8.046 1.00 24.34 N ATOM 102 NH2 ARG A 6 11.267 -8.400 -8.750 1.00 24.32 N ATOM 0 H ARG A 6 8.922 -2.270 -4.873 1.00 12.51 H new ATOM 0 HA ARG A 6 11.689 -2.359 -5.631 1.00 73.41 H new ATOM 0 HB2 ARG A 6 10.062 -4.238 -4.787 1.00 74.14 H new ATOM 0 HB3 ARG A 6 9.539 -4.320 -6.458 1.00 74.14 H new ATOM 0 HG2 ARG A 6 11.746 -4.933 -7.213 1.00 25.33 H new ATOM 0 HG3 ARG A 6 12.454 -4.566 -5.652 1.00 25.33 H new ATOM 0 HD2 ARG A 6 11.910 -6.595 -4.804 1.00 43.55 H new ATOM 0 HD3 ARG A 6 10.264 -6.496 -5.400 1.00 43.55 H new ATOM 0 HE ARG A 6 12.452 -7.940 -6.612 1.00 5.44 H new ATOM 0 HH11 ARG A 6 9.558 -6.057 -7.352 1.00 24.34 H new ATOM 0 HH12 ARG A 6 9.284 -6.869 -8.897 1.00 24.34 H new ATOM 0 HH21 ARG A 6 12.094 -8.977 -8.598 1.00 24.32 H new ATOM 0 HH22 ARG A 6 10.714 -8.515 -9.599 1.00 24.32 H new ATOM 116 N HIS A 7 9.530 -1.454 -7.810 1.00 1.20 N ATOM 117 CA HIS A 7 9.328 -1.020 -9.188 1.00 32.41 C ATOM 118 C HIS A 7 10.280 0.117 -9.545 1.00 63.31 C ATOM 119 O HIS A 7 10.470 0.435 -10.719 1.00 32.14 O ATOM 120 CB HIS A 7 7.881 -0.574 -9.397 1.00 54.31 C ATOM 121 CG HIS A 7 6.904 -1.708 -9.444 1.00 23.50 C ATOM 122 ND1 HIS A 7 6.016 -1.895 -10.482 1.00 44.14 N ATOM 123 CD2 HIS A 7 6.681 -2.720 -8.573 1.00 75.43 C ATOM 124 CE1 HIS A 7 5.287 -2.971 -10.248 1.00 25.45 C ATOM 125 NE2 HIS A 7 5.671 -3.491 -9.095 1.00 61.14 N ATOM 0 H HIS A 7 8.800 -1.157 -7.163 1.00 1.20 H new ATOM 0 HA HIS A 7 9.538 -1.865 -9.844 1.00 32.41 H new ATOM 0 HB2 HIS A 7 7.599 0.104 -8.592 1.00 54.31 H new ATOM 0 HB3 HIS A 7 7.814 -0.010 -10.327 1.00 54.31 H new ATOM 0 HD2 HIS A 7 7.200 -2.890 -7.641 1.00 75.43 H new ATOM 0 HE1 HIS A 7 4.510 -3.360 -10.889 1.00 25.45 H new ATOM 0 HE2 HIS A 7 5.281 -4.329 -8.663 1.00 61.14 H new ATOM 133 N ALA A 8 10.876 0.725 -8.525 1.00 43.41 N ATOM 134 CA ALA A 8 11.810 1.826 -8.732 1.00 34.22 C ATOM 135 C ALA A 8 13.151 1.318 -9.249 1.00 62.01 C ATOM 136 O ALA A 8 13.986 2.097 -9.709 1.00 11.41 O ATOM 137 CB ALA A 8 12.001 2.605 -7.439 1.00 50.42 C ATOM 0 H ALA A 8 10.729 0.474 -7.547 1.00 43.41 H new ATOM 0 HA ALA A 8 11.389 2.491 -9.486 1.00 34.22 H new ATOM 0 HB1 ALA A 8 12.700 3.424 -7.607 1.00 50.42 H new ATOM 0 HB2 ALA A 8 11.042 3.008 -7.112 1.00 50.42 H new ATOM 0 HB3 ALA A 8 12.397 1.942 -6.670 1.00 50.42 H new ATOM 143 N PHE A 9 13.352 0.007 -9.170 1.00 65.23 N ATOM 144 CA PHE A 9 14.594 -0.605 -9.629 1.00 61.02 C ATOM 145 C PHE A 9 14.809 -0.348 -11.118 1.00 20.51 C ATOM 146 O PHE A 9 15.930 -0.437 -11.618 1.00 63.45 O ATOM 147 CB PHE A 9 14.577 -2.111 -9.357 1.00 13.41 C ATOM 148 CG PHE A 9 15.937 -2.745 -9.407 1.00 5.50 C ATOM 149 CD1 PHE A 9 16.915 -2.390 -8.491 1.00 64.35 C ATOM 150 CD2 PHE A 9 16.238 -3.695 -10.369 1.00 45.01 C ATOM 151 CE1 PHE A 9 18.168 -2.972 -8.536 1.00 4.40 C ATOM 152 CE2 PHE A 9 17.490 -4.280 -10.418 1.00 72.13 C ATOM 153 CZ PHE A 9 18.456 -3.919 -9.500 1.00 13.53 C ATOM 0 H PHE A 9 12.671 -0.652 -8.793 1.00 65.23 H new ATOM 0 HA PHE A 9 15.418 -0.153 -9.077 1.00 61.02 H new ATOM 0 HB2 PHE A 9 14.138 -2.290 -8.376 1.00 13.41 H new ATOM 0 HB3 PHE A 9 13.931 -2.597 -10.089 1.00 13.41 H new ATOM 0 HD1 PHE A 9 16.696 -1.651 -7.734 1.00 64.35 H new ATOM 0 HD2 PHE A 9 15.486 -3.982 -11.089 1.00 45.01 H new ATOM 0 HE1 PHE A 9 18.922 -2.686 -7.817 1.00 4.40 H new ATOM 0 HE2 PHE A 9 17.712 -5.019 -11.174 1.00 72.13 H new ATOM 0 HZ PHE A 9 19.434 -4.376 -9.535 1.00 13.53 H new ATOM 163 N ARG A 10 13.726 -0.030 -11.820 1.00 22.42 N ATOM 164 CA ARG A 10 13.795 0.237 -13.251 1.00 50.33 C ATOM 165 C ARG A 10 14.077 1.714 -13.515 1.00 73.54 C ATOM 166 O ARG A 10 14.734 2.065 -14.495 1.00 70.31 O ATOM 167 CB ARG A 10 12.488 -0.173 -13.932 1.00 31.22 C ATOM 168 CG ARG A 10 11.965 -1.527 -13.480 1.00 62.24 C ATOM 169 CD ARG A 10 10.736 -1.942 -14.273 1.00 74.20 C ATOM 170 NE ARG A 10 10.762 -3.360 -14.622 1.00 20.12 N ATOM 171 CZ ARG A 10 10.042 -3.889 -15.605 1.00 50.40 C ATOM 172 NH1 ARG A 10 9.244 -3.120 -16.333 1.00 74.53 N ATOM 173 NH2 ARG A 10 10.120 -5.188 -15.862 1.00 22.13 N ATOM 0 H ARG A 10 12.791 0.049 -11.421 1.00 22.42 H new ATOM 0 HA ARG A 10 14.613 -0.352 -13.666 1.00 50.33 H new ATOM 0 HB2 ARG A 10 11.731 0.585 -13.732 1.00 31.22 H new ATOM 0 HB3 ARG A 10 12.641 -0.194 -15.011 1.00 31.22 H new ATOM 0 HG2 ARG A 10 12.746 -2.278 -13.598 1.00 62.24 H new ATOM 0 HG3 ARG A 10 11.719 -1.487 -12.419 1.00 62.24 H new ATOM 0 HD2 ARG A 10 9.840 -1.729 -13.690 1.00 74.20 H new ATOM 0 HD3 ARG A 10 10.674 -1.346 -15.183 1.00 74.20 H new ATOM 0 HE ARG A 10 11.366 -3.978 -14.081 1.00 20.12 H new ATOM 0 HH11 ARG A 10 9.182 -2.121 -16.139 1.00 74.53 H new ATOM 0 HH12 ARG A 10 8.692 -3.528 -17.087 1.00 74.53 H new ATOM 0 HH21 ARG A 10 10.733 -5.782 -15.304 1.00 22.13 H new ATOM 0 HH22 ARG A 10 9.566 -5.593 -16.617 1.00 22.13 H new ATOM 187 N SER A 11 13.574 2.573 -12.635 1.00 3.30 N ATOM 188 CA SER A 11 13.768 4.012 -12.775 1.00 70.22 C ATOM 189 C SER A 11 15.195 4.406 -12.408 1.00 2.15 C ATOM 190 O SER A 11 15.729 5.391 -12.917 1.00 64.31 O ATOM 191 CB SER A 11 12.774 4.770 -11.893 1.00 61.11 C ATOM 192 OG SER A 11 13.364 5.135 -10.658 1.00 1.14 O ATOM 0 H SER A 11 13.029 2.298 -11.818 1.00 3.30 H new ATOM 0 HA SER A 11 13.593 4.278 -13.818 1.00 70.22 H new ATOM 0 HB2 SER A 11 12.429 5.664 -12.413 1.00 61.11 H new ATOM 0 HB3 SER A 11 11.897 4.149 -11.711 1.00 61.11 H new ATOM 0 HG SER A 11 13.641 4.328 -10.176 1.00 1.14 H new ATOM 198 N MET A 12 15.807 3.630 -11.519 1.00 73.40 N ATOM 199 CA MET A 12 17.173 3.896 -11.083 1.00 54.43 C ATOM 200 C MET A 12 18.141 3.832 -12.260 1.00 51.22 C ATOM 201 O MET A 12 19.200 4.460 -12.241 1.00 14.44 O ATOM 202 CB MET A 12 17.592 2.894 -10.007 1.00 64.50 C ATOM 203 CG MET A 12 18.762 3.366 -9.159 1.00 41.21 C ATOM 204 SD MET A 12 19.211 2.184 -7.874 1.00 31.31 S ATOM 205 CE MET A 12 20.928 2.615 -7.601 1.00 53.34 C ATOM 0 H MET A 12 15.378 2.812 -11.086 1.00 73.40 H new ATOM 0 HA MET A 12 17.205 4.902 -10.664 1.00 54.43 H new ATOM 0 HB2 MET A 12 16.740 2.694 -9.357 1.00 64.50 H new ATOM 0 HB3 MET A 12 17.857 1.951 -10.484 1.00 64.50 H new ATOM 0 HG2 MET A 12 19.624 3.542 -9.802 1.00 41.21 H new ATOM 0 HG3 MET A 12 18.509 4.320 -8.697 1.00 41.21 H new ATOM 0 HE1 MET A 12 21.347 1.969 -6.830 1.00 53.34 H new ATOM 0 HE2 MET A 12 21.488 2.485 -8.527 1.00 53.34 H new ATOM 0 HE3 MET A 12 20.996 3.654 -7.279 1.00 53.34 H new ATOM 215 N PHE A 13 17.772 3.069 -13.284 1.00 13.24 N ATOM 216 CA PHE A 13 18.609 2.922 -14.469 1.00 13.23 C ATOM 217 C PHE A 13 18.578 4.190 -15.317 1.00 0.32 C ATOM 218 O PHE A 13 17.697 5.039 -15.178 1.00 41.21 O ATOM 219 CB PHE A 13 18.144 1.726 -15.302 1.00 52.22 C ATOM 220 CG PHE A 13 18.851 0.446 -14.960 1.00 11.00 C ATOM 221 CD1 PHE A 13 18.618 -0.187 -13.750 1.00 31.42 C ATOM 222 CD2 PHE A 13 19.748 -0.124 -15.849 1.00 20.35 C ATOM 223 CE1 PHE A 13 19.268 -1.365 -13.432 1.00 72.03 C ATOM 224 CE2 PHE A 13 20.401 -1.302 -15.537 1.00 33.14 C ATOM 225 CZ PHE A 13 20.159 -1.924 -14.327 1.00 43.32 C ATOM 0 H PHE A 13 16.899 2.543 -13.317 1.00 13.24 H new ATOM 0 HA PHE A 13 19.634 2.751 -14.141 1.00 13.23 H new ATOM 0 HB2 PHE A 13 17.072 1.589 -15.159 1.00 52.22 H new ATOM 0 HB3 PHE A 13 18.299 1.947 -16.358 1.00 52.22 H new ATOM 0 HD1 PHE A 13 17.921 0.245 -13.047 1.00 31.42 H new ATOM 0 HD2 PHE A 13 19.939 0.357 -16.797 1.00 20.35 H new ATOM 0 HE1 PHE A 13 19.079 -1.848 -12.485 1.00 72.03 H new ATOM 0 HE2 PHE A 13 21.099 -1.735 -16.238 1.00 33.14 H new ATOM 0 HZ PHE A 13 20.666 -2.846 -14.082 1.00 43.32 H new ATOM 235 N PRO A 14 19.564 4.323 -16.217 1.00 14.41 N ATOM 236 CA PRO A 14 19.673 5.484 -17.106 1.00 14.14 C ATOM 237 C PRO A 14 18.634 5.459 -18.222 1.00 10.22 C ATOM 238 O PRO A 14 18.448 6.447 -18.932 1.00 11.54 O ATOM 239 CB PRO A 14 21.084 5.356 -17.685 1.00 75.11 C ATOM 240 CG PRO A 14 21.390 3.900 -17.617 1.00 22.43 C ATOM 241 CD PRO A 14 20.647 3.351 -16.437 1.00 21.33 C ATOM 0 HA PRO A 14 19.498 6.421 -16.577 1.00 14.14 H new ATOM 0 HB2 PRO A 14 21.126 5.722 -18.711 1.00 75.11 H new ATOM 0 HB3 PRO A 14 21.803 5.939 -17.109 1.00 75.11 H new ATOM 0 HG2 PRO A 14 21.082 3.398 -18.534 1.00 22.43 H new ATOM 0 HG3 PRO A 14 22.462 3.736 -17.508 1.00 22.43 H new ATOM 0 HD2 PRO A 14 20.254 2.355 -16.640 1.00 21.33 H new ATOM 0 HD3 PRO A 14 21.292 3.267 -15.562 1.00 21.33 H new ATOM 249 N SER A 15 17.959 4.324 -18.371 1.00 65.40 N ATOM 250 CA SER A 15 16.941 4.169 -19.404 1.00 5.24 C ATOM 251 C SER A 15 15.697 4.984 -19.065 1.00 75.41 C ATOM 252 O SER A 15 14.803 5.147 -19.896 1.00 21.30 O ATOM 253 CB SER A 15 16.571 2.694 -19.568 1.00 13.05 C ATOM 254 OG SER A 15 15.946 2.461 -20.818 1.00 44.01 O ATOM 0 H SER A 15 18.099 3.498 -17.789 1.00 65.40 H new ATOM 0 HA SER A 15 17.351 4.539 -20.344 1.00 5.24 H new ATOM 0 HB2 SER A 15 17.468 2.080 -19.486 1.00 13.05 H new ATOM 0 HB3 SER A 15 15.903 2.392 -18.762 1.00 13.05 H new ATOM 0 HG SER A 15 15.272 3.154 -20.981 1.00 44.01 H new ATOM 260 N SER A 16 15.646 5.493 -17.838 1.00 74.33 N ATOM 261 CA SER A 16 14.509 6.287 -17.387 1.00 2.21 C ATOM 262 C SER A 16 14.484 7.644 -18.084 1.00 10.10 C ATOM 263 O SER A 16 13.424 8.243 -18.260 1.00 74.14 O ATOM 264 CB SER A 16 14.566 6.481 -15.870 1.00 53.14 C ATOM 265 OG SER A 16 13.395 7.123 -15.394 1.00 64.14 O ATOM 0 H SER A 16 16.378 5.370 -17.139 1.00 74.33 H new ATOM 0 HA SER A 16 13.596 5.749 -17.644 1.00 2.21 H new ATOM 0 HB2 SER A 16 14.679 5.514 -15.380 1.00 53.14 H new ATOM 0 HB3 SER A 16 15.442 7.075 -15.609 1.00 53.14 H new ATOM 0 HG SER A 16 13.455 7.234 -14.422 1.00 64.14 H new ATOM 271 N GLU A 17 15.660 8.122 -18.478 1.00 3.24 N ATOM 272 CA GLU A 17 15.773 9.409 -19.155 1.00 24.25 C ATOM 273 C GLU A 17 15.655 9.240 -20.667 1.00 1.24 C ATOM 274 O GLU A 17 14.984 10.023 -21.337 1.00 53.34 O ATOM 275 CB GLU A 17 17.105 10.077 -18.808 1.00 2.45 C ATOM 276 CG GLU A 17 18.298 9.467 -19.524 1.00 32.30 C ATOM 277 CD GLU A 17 18.829 10.354 -20.633 1.00 61.20 C ATOM 278 OE1 GLU A 17 19.578 11.304 -20.324 1.00 50.41 O ATOM 279 OE2 GLU A 17 18.496 10.098 -21.809 1.00 43.20 O ATOM 0 H GLU A 17 16.547 7.638 -18.340 1.00 3.24 H new ATOM 0 HA GLU A 17 14.956 10.044 -18.813 1.00 24.25 H new ATOM 0 HB2 GLU A 17 17.046 11.137 -19.057 1.00 2.45 H new ATOM 0 HB3 GLU A 17 17.265 10.011 -17.732 1.00 2.45 H new ATOM 0 HG2 GLU A 17 19.093 9.279 -18.802 1.00 32.30 H new ATOM 0 HG3 GLU A 17 18.012 8.502 -19.942 1.00 32.30 H new TER 286 GLU A 17