USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 141 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 Set 1.1: A 12 MET CE :methyl 167:sc= -0.412 (180deg=-0.0705) USER MOD Set 1.2: A 15 SER OG : rot 130:sc= -0.154 USER MOD Single : A 1 ARG N :NH3+ -148:sc= -0.15 (180deg=-1.09) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.27) USER MOD Single : A 11 SER OG : rot -20:sc= 0.22 USER MOD Single : A 16 SER OG : rot 89:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -3.606 -13.136 3.015 1.00 0.00 N ATOM 2 CA ARG A 1 -3.753 -12.195 1.918 1.00 0.00 C ATOM 3 C ARG A 1 -2.440 -11.444 1.682 1.00 0.00 C ATOM 4 O ARG A 1 -2.106 -10.523 2.424 1.00 0.00 O ATOM 5 CB ARG A 1 -4.865 -11.183 2.206 1.00 0.00 C ATOM 6 CG ARG A 1 -6.217 -11.883 2.357 1.00 0.00 C ATOM 7 CD ARG A 1 -6.975 -11.904 1.028 1.00 0.00 C ATOM 8 NE ARG A 1 -7.684 -10.620 0.830 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.705 -10.446 -0.035 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.147 -11.473 -0.792 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.266 -9.254 -0.132 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.212 -13.964 2.846 1.00 0.00 H new ATOM 0 H2 ARG A 1 -2.614 -13.441 3.080 1.00 0.00 H new ATOM 0 H3 ARG A 1 -3.886 -12.678 3.905 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.016 -12.764 1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -4.633 -10.632 3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -4.917 -10.454 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.065 -12.903 2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -6.813 -11.371 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.280 -12.076 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.688 -12.728 1.020 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.382 -9.817 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.708 -12.391 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.919 -11.331 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -8.926 -8.482 0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.039 -9.105 -0.781 1.00 0.00 H new ATOM 26 N SER A 2 -1.732 -11.869 0.646 1.00 0.00 N ATOM 27 CA SER A 2 -0.463 -11.250 0.302 1.00 0.00 C ATOM 28 C SER A 2 -0.706 -9.973 -0.505 1.00 0.00 C ATOM 29 O SER A 2 0.164 -9.106 -0.578 1.00 0.00 O ATOM 30 CB SER A 2 0.426 -12.215 -0.484 1.00 0.00 C ATOM 31 OG SER A 2 1.811 -11.991 -0.232 1.00 0.00 O ATOM 0 H SER A 2 -2.013 -12.635 0.033 1.00 0.00 H new ATOM 0 HA SER A 2 0.055 -10.995 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.171 -13.241 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.229 -12.103 -1.550 1.00 0.00 H new ATOM 0 HG SER A 2 2.345 -12.628 -0.751 1.00 0.00 H new ATOM 37 N LYS A 3 -1.891 -9.898 -1.091 1.00 0.00 N ATOM 38 CA LYS A 3 -2.258 -8.742 -1.890 1.00 0.00 C ATOM 39 C LYS A 3 -2.372 -7.515 -0.983 1.00 0.00 C ATOM 40 O LYS A 3 -2.315 -6.381 -1.457 1.00 0.00 O ATOM 41 CB LYS A 3 -3.527 -9.029 -2.698 1.00 0.00 C ATOM 42 CG LYS A 3 -3.183 -9.447 -4.129 1.00 0.00 C ATOM 43 CD LYS A 3 -4.308 -9.073 -5.095 1.00 0.00 C ATOM 44 CE LYS A 3 -3.745 -8.610 -6.439 1.00 0.00 C ATOM 45 NZ LYS A 3 -4.215 -7.242 -6.756 1.00 0.00 N ATOM 0 H LYS A 3 -2.610 -10.619 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.482 -8.526 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.101 -9.819 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.159 -8.141 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.257 -8.964 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.010 -10.523 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.962 -9.932 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.918 -8.281 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.656 -8.629 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.054 -9.298 -7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.823 -6.944 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.254 -7.234 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.899 -6.586 -6.014 1.00 0.00 H new ATOM 58 N ASP A 4 -2.531 -7.783 0.305 1.00 0.00 N ATOM 59 CA ASP A 4 -2.653 -6.716 1.282 1.00 0.00 C ATOM 60 C ASP A 4 -1.301 -6.017 1.440 1.00 0.00 C ATOM 61 O ASP A 4 -1.237 -4.874 1.888 1.00 0.00 O ATOM 62 CB ASP A 4 -3.064 -7.265 2.650 1.00 0.00 C ATOM 63 CG ASP A 4 -4.342 -6.659 3.233 1.00 0.00 C ATOM 64 OD1 ASP A 4 -5.122 -6.008 2.522 1.00 0.00 O ATOM 65 OD2 ASP A 4 -4.526 -6.881 4.490 1.00 0.00 O ATOM 0 H ASP A 4 -2.578 -8.725 0.694 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.415 -6.022 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.197 -8.344 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.247 -7.097 3.352 1.00 0.00 H new ATOM 71 N LEU A 5 -0.253 -6.735 1.063 1.00 0.00 N ATOM 72 CA LEU A 5 1.094 -6.198 1.157 1.00 0.00 C ATOM 73 C LEU A 5 1.213 -4.969 0.254 1.00 0.00 C ATOM 74 O LEU A 5 1.975 -4.050 0.550 1.00 0.00 O ATOM 75 CB LEU A 5 2.126 -7.286 0.853 1.00 0.00 C ATOM 76 CG LEU A 5 3.360 -7.311 1.757 1.00 0.00 C ATOM 77 CD1 LEU A 5 4.101 -5.974 1.712 1.00 0.00 C ATOM 78 CD2 LEU A 5 2.985 -7.711 3.185 1.00 0.00 C ATOM 0 H LEU A 5 -0.309 -7.683 0.692 1.00 0.00 H new ATOM 0 HA LEU A 5 1.302 -5.868 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.632 -8.256 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.458 -7.166 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 5 4.045 -8.070 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.974 -6.020 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.421 -5.770 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.437 -5.178 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.880 -7.721 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.271 -6.993 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.536 -8.704 3.179 1.00 0.00 H new ATOM 90 N ARG A 6 0.448 -4.992 -0.827 1.00 0.00 N ATOM 91 CA ARG A 6 0.458 -3.889 -1.775 1.00 0.00 C ATOM 92 C ARG A 6 -0.308 -2.694 -1.205 1.00 0.00 C ATOM 93 O ARG A 6 -0.115 -1.561 -1.645 1.00 0.00 O ATOM 94 CB ARG A 6 -0.172 -4.302 -3.106 1.00 0.00 C ATOM 95 CG ARG A 6 0.903 -4.691 -4.123 1.00 0.00 C ATOM 96 CD ARG A 6 0.952 -6.209 -4.317 1.00 0.00 C ATOM 97 NE ARG A 6 2.342 -6.693 -4.168 1.00 0.00 N ATOM 98 CZ ARG A 6 3.248 -6.713 -5.168 1.00 0.00 C ATOM 99 NH1 ARG A 6 2.917 -6.275 -6.402 1.00 0.00 N ATOM 100 NH2 ARG A 6 4.462 -7.168 -4.923 1.00 0.00 N ATOM 0 H ARG A 6 -0.183 -5.756 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 6 1.497 -3.610 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.849 -5.142 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.770 -3.480 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.699 -4.205 -5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.875 -4.333 -3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.307 -6.698 -3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.571 -6.470 -5.304 1.00 0.00 H new ATOM 0 HE ARG A 6 2.634 -7.033 -3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.976 -5.926 -6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.608 -6.294 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.704 -7.498 -3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.158 -7.190 -5.668 1.00 0.00 H new ATOM 114 N HIS A 7 -1.161 -2.986 -0.235 1.00 0.00 N ATOM 115 CA HIS A 7 -1.958 -1.949 0.399 1.00 0.00 C ATOM 116 C HIS A 7 -1.078 -1.139 1.355 1.00 0.00 C ATOM 117 O HIS A 7 -1.398 0.003 1.681 1.00 0.00 O ATOM 118 CB HIS A 7 -3.184 -2.549 1.088 1.00 0.00 C ATOM 119 CG HIS A 7 -4.485 -2.284 0.367 1.00 0.00 C ATOM 120 ND1 HIS A 7 -5.715 -2.654 0.882 1.00 0.00 N ATOM 121 CD2 HIS A 7 -4.733 -1.682 -0.831 1.00 0.00 C ATOM 122 CE1 HIS A 7 -6.655 -2.287 0.022 1.00 0.00 C ATOM 123 NE2 HIS A 7 -6.044 -1.685 -1.038 1.00 0.00 N ATOM 0 H HIS A 7 -1.318 -3.926 0.128 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.339 -1.265 -0.359 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.045 -3.626 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.253 -2.148 2.099 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.989 -1.272 -1.498 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.718 -2.438 0.140 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.517 -1.300 -1.856 1.00 0.00 H new ATOM 131 N ALA A 8 0.012 -1.762 1.776 1.00 0.00 N ATOM 132 CA ALA A 8 0.940 -1.113 2.687 1.00 0.00 C ATOM 133 C ALA A 8 1.622 0.052 1.969 1.00 0.00 C ATOM 134 O ALA A 8 1.988 1.044 2.598 1.00 0.00 O ATOM 135 CB ALA A 8 1.942 -2.143 3.213 1.00 0.00 C ATOM 0 H ALA A 8 0.274 -2.709 1.503 1.00 0.00 H new ATOM 0 HA ALA A 8 0.411 -0.704 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.638 -1.657 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.408 -2.934 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.494 -2.573 2.377 1.00 0.00 H new ATOM 141 N PHE A 9 1.774 -0.106 0.663 1.00 0.00 N ATOM 142 CA PHE A 9 2.406 0.921 -0.148 1.00 0.00 C ATOM 143 C PHE A 9 1.565 2.199 -0.167 1.00 0.00 C ATOM 144 O PHE A 9 2.087 3.286 -0.406 1.00 0.00 O ATOM 145 CB PHE A 9 2.506 0.369 -1.571 1.00 0.00 C ATOM 146 CG PHE A 9 3.885 -0.192 -1.925 1.00 0.00 C ATOM 147 CD1 PHE A 9 4.905 0.656 -2.231 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.092 -1.535 -1.934 1.00 0.00 C ATOM 149 CE1 PHE A 9 6.185 0.135 -2.561 1.00 0.00 C ATOM 150 CE2 PHE A 9 5.372 -2.055 -2.263 1.00 0.00 C ATOM 151 CZ PHE A 9 6.392 -1.208 -2.569 1.00 0.00 C ATOM 0 H PHE A 9 1.470 -0.931 0.145 1.00 0.00 H new ATOM 0 HA PHE A 9 3.385 1.168 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.762 -0.417 -1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.256 1.162 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.741 1.724 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.283 -2.207 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.994 0.807 -2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.536 -3.122 -2.270 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.366 -1.603 -2.818 1.00 0.00 H new ATOM 161 N ARG A 10 0.276 2.025 0.088 1.00 0.00 N ATOM 162 CA ARG A 10 -0.642 3.151 0.103 1.00 0.00 C ATOM 163 C ARG A 10 -0.383 4.031 1.327 1.00 0.00 C ATOM 164 O ARG A 10 -0.720 5.214 1.329 1.00 0.00 O ATOM 165 CB ARG A 10 -2.096 2.675 0.124 1.00 0.00 C ATOM 166 CG ARG A 10 -3.050 3.811 -0.251 1.00 0.00 C ATOM 167 CD ARG A 10 -4.374 3.261 -0.787 1.00 0.00 C ATOM 168 NE ARG A 10 -4.306 3.121 -2.257 1.00 0.00 N ATOM 169 CZ ARG A 10 -4.566 4.120 -3.126 1.00 0.00 C ATOM 170 NH1 ARG A 10 -4.914 5.345 -2.678 1.00 0.00 N ATOM 171 NH2 ARG A 10 -4.474 3.882 -4.422 1.00 0.00 N ATOM 0 H ARG A 10 -0.154 1.121 0.286 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.473 3.729 -0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.221 1.846 -0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.345 2.299 1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.238 4.436 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.585 4.448 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.587 2.294 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.191 3.929 -0.515 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.046 2.212 -2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.982 5.521 -1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.109 6.094 -3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.210 2.954 -4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.667 4.626 -5.092 1.00 0.00 H new ATOM 185 N SER A 11 0.211 3.419 2.342 1.00 0.00 N ATOM 186 CA SER A 11 0.519 4.132 3.569 1.00 0.00 C ATOM 187 C SER A 11 1.735 5.038 3.358 1.00 0.00 C ATOM 188 O SER A 11 1.995 5.930 4.164 1.00 0.00 O ATOM 189 CB SER A 11 0.777 3.159 4.721 1.00 0.00 C ATOM 190 OG SER A 11 1.255 3.826 5.887 1.00 0.00 O ATOM 0 H SER A 11 0.487 2.437 2.339 1.00 0.00 H new ATOM 0 HA SER A 11 -0.342 4.746 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.144 2.627 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.505 2.411 4.407 1.00 0.00 H new ATOM 0 HG SER A 11 1.629 4.697 5.636 1.00 0.00 H new ATOM 196 N MET A 12 2.445 4.778 2.270 1.00 0.00 N ATOM 197 CA MET A 12 3.626 5.558 1.943 1.00 0.00 C ATOM 198 C MET A 12 3.254 6.800 1.130 1.00 0.00 C ATOM 199 O MET A 12 4.067 7.709 0.971 1.00 0.00 O ATOM 200 CB MET A 12 4.601 4.696 1.141 1.00 0.00 C ATOM 201 CG MET A 12 5.807 4.293 1.994 1.00 0.00 C ATOM 202 SD MET A 12 6.636 5.751 2.605 1.00 0.00 S ATOM 203 CE MET A 12 6.481 5.483 4.362 1.00 0.00 C ATOM 0 H MET A 12 2.225 4.038 1.604 1.00 0.00 H new ATOM 0 HA MET A 12 4.094 5.882 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.091 3.803 0.781 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.940 5.245 0.263 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.481 3.673 2.829 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.498 3.693 1.402 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.138 6.171 4.894 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.449 5.657 4.667 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.761 4.457 4.600 1.00 0.00 H new ATOM 213 N PHE A 13 2.025 6.799 0.635 1.00 0.00 N ATOM 214 CA PHE A 13 1.537 7.913 -0.158 1.00 0.00 C ATOM 215 C PHE A 13 1.451 9.188 0.683 1.00 0.00 C ATOM 216 O PHE A 13 1.956 10.236 0.282 1.00 0.00 O ATOM 217 CB PHE A 13 0.133 7.539 -0.638 1.00 0.00 C ATOM 218 CG PHE A 13 -0.044 7.603 -2.157 1.00 0.00 C ATOM 219 CD1 PHE A 13 -0.411 8.771 -2.750 1.00 0.00 C ATOM 220 CD2 PHE A 13 0.167 6.493 -2.914 1.00 0.00 C ATOM 221 CE1 PHE A 13 -0.573 8.831 -4.158 1.00 0.00 C ATOM 222 CE2 PHE A 13 0.003 6.553 -4.323 1.00 0.00 C ATOM 223 CZ PHE A 13 -0.364 7.720 -4.916 1.00 0.00 C ATOM 0 H PHE A 13 1.353 6.044 0.768 1.00 0.00 H new ATOM 0 HA PHE A 13 2.215 8.103 -0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.099 6.530 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.590 8.207 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.579 9.652 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.459 5.566 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.862 9.759 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.170 5.671 -4.924 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.490 7.765 -5.988 1.00 0.00 H new ATOM 233 N PRO A 14 0.791 9.055 1.865 1.00 0.00 N ATOM 234 CA PRO A 14 0.633 10.184 2.766 1.00 0.00 C ATOM 235 C PRO A 14 1.944 10.492 3.493 1.00 0.00 C ATOM 236 O PRO A 14 2.151 11.611 3.960 1.00 0.00 O ATOM 237 CB PRO A 14 -0.489 9.781 3.709 1.00 0.00 C ATOM 238 CG PRO A 14 -0.602 8.269 3.601 1.00 0.00 C ATOM 239 CD PRO A 14 0.180 7.830 2.372 1.00 0.00 C ATOM 0 HA PRO A 14 0.383 11.108 2.244 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.267 10.084 4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.426 10.264 3.430 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.205 7.791 4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.647 7.969 3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.935 7.087 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.474 7.376 1.628 1.00 0.00 H new ATOM 247 N SER A 15 2.795 9.480 3.567 1.00 0.00 N ATOM 248 CA SER A 15 4.079 9.628 4.229 1.00 0.00 C ATOM 249 C SER A 15 5.111 10.194 3.250 1.00 0.00 C ATOM 250 O SER A 15 6.092 10.811 3.663 1.00 0.00 O ATOM 251 CB SER A 15 4.565 8.293 4.797 1.00 0.00 C ATOM 252 OG SER A 15 5.943 8.334 5.155 1.00 0.00 O ATOM 0 H SER A 15 2.620 8.553 3.179 1.00 0.00 H new ATOM 0 HA SER A 15 3.956 10.322 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.971 8.034 5.673 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.405 7.506 4.060 1.00 0.00 H new ATOM 0 HG SER A 15 6.054 7.992 6.067 1.00 0.00 H new ATOM 258 N SER A 16 4.854 9.964 1.971 1.00 0.00 N ATOM 259 CA SER A 16 5.747 10.443 0.930 1.00 0.00 C ATOM 260 C SER A 16 5.587 11.954 0.758 1.00 0.00 C ATOM 261 O SER A 16 6.373 12.589 0.056 1.00 0.00 O ATOM 262 CB SER A 16 5.483 9.727 -0.396 1.00 0.00 C ATOM 263 OG SER A 16 6.103 8.446 -0.444 1.00 0.00 O ATOM 0 H SER A 16 4.040 9.452 1.632 1.00 0.00 H new ATOM 0 HA SER A 16 6.771 10.224 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.408 9.615 -0.540 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.852 10.340 -1.218 1.00 0.00 H new ATOM 0 HG SER A 16 5.493 7.773 -0.076 1.00 0.00 H new ATOM 269 N GLU A 17 4.565 12.487 1.410 1.00 0.00 N ATOM 270 CA GLU A 17 4.291 13.913 1.339 1.00 0.00 C ATOM 271 C GLU A 17 5.282 14.687 2.211 1.00 0.00 C ATOM 272 O GLU A 17 5.581 15.848 1.936 1.00 0.00 O ATOM 273 CB GLU A 17 2.848 14.216 1.747 1.00 0.00 C ATOM 274 CG GLU A 17 2.344 15.491 1.070 1.00 0.00 C ATOM 275 CD GLU A 17 1.137 15.198 0.176 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.306 14.712 -0.952 1.00 0.00 O ATOM 277 OE2 GLU A 17 -0.008 15.494 0.691 1.00 0.00 O ATOM 0 H GLU A 17 3.915 11.957 1.991 1.00 0.00 H new ATOM 0 HA GLU A 17 4.416 14.236 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.206 13.378 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.788 14.327 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.070 16.225 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.144 15.931 0.474 1.00 0.00 H new TER 285 GLU A 17