USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=5 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 Single : A 1 ARG N :NH3+ -120:sc= -0.18 (180deg=-0.868) 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 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 95:sc= 0.715 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -2.546 -14.169 0.614 1.00 0.00 N ATOM 2 CA ARG A 1 -3.228 -12.889 0.546 1.00 0.00 C ATOM 3 C ARG A 1 -2.220 -11.743 0.657 1.00 0.00 C ATOM 4 O ARG A 1 -2.344 -10.884 1.528 1.00 0.00 O ATOM 5 CB ARG A 1 -4.265 -12.756 1.663 1.00 0.00 C ATOM 6 CG ARG A 1 -5.375 -13.798 1.508 1.00 0.00 C ATOM 7 CD ARG A 1 -5.944 -14.199 2.870 1.00 0.00 C ATOM 8 NE ARG A 1 -7.272 -13.577 3.067 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.402 -13.994 2.459 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.374 -15.041 1.606 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.534 -13.363 2.708 1.00 0.00 N ATOM 0 H1 ARG A 1 -2.723 -14.703 -0.260 1.00 0.00 H new ATOM 0 H2 ARG A 1 -1.524 -14.012 0.723 1.00 0.00 H new ATOM 0 H3 ARG A 1 -2.902 -14.709 1.428 1.00 0.00 H new ATOM 0 HA ARG A 1 -3.738 -12.837 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -3.779 -12.878 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -4.696 -11.755 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.171 -13.396 0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.983 -14.679 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.029 -15.284 2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -5.265 -13.886 3.663 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.337 -12.782 3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.495 -15.522 1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.232 -15.351 1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.546 -12.572 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.397 -13.666 2.256 1.00 0.00 H new ATOM 26 N SER A 2 -1.243 -11.768 -0.239 1.00 0.00 N ATOM 27 CA SER A 2 -0.214 -10.743 -0.252 1.00 0.00 C ATOM 28 C SER A 2 -0.683 -9.540 -1.073 1.00 0.00 C ATOM 29 O SER A 2 0.096 -8.630 -1.351 1.00 0.00 O ATOM 30 CB SER A 2 1.100 -11.289 -0.815 1.00 0.00 C ATOM 31 OG SER A 2 2.111 -11.384 0.185 1.00 0.00 O ATOM 0 H SER A 2 -1.143 -12.482 -0.960 1.00 0.00 H new ATOM 0 HA SER A 2 -0.035 -10.426 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.927 -12.273 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.446 -10.641 -1.620 1.00 0.00 H new ATOM 0 HG SER A 2 2.933 -11.738 -0.214 1.00 0.00 H new ATOM 37 N LYS A 3 -1.957 -9.574 -1.438 1.00 0.00 N ATOM 38 CA LYS A 3 -2.540 -8.499 -2.221 1.00 0.00 C ATOM 39 C LYS A 3 -2.680 -7.254 -1.344 1.00 0.00 C ATOM 40 O LYS A 3 -2.787 -6.139 -1.854 1.00 0.00 O ATOM 41 CB LYS A 3 -3.855 -8.953 -2.859 1.00 0.00 C ATOM 42 CG LYS A 3 -4.913 -9.239 -1.792 1.00 0.00 C ATOM 43 CD LYS A 3 -5.973 -10.208 -2.317 1.00 0.00 C ATOM 44 CE LYS A 3 -7.331 -9.944 -1.663 1.00 0.00 C ATOM 45 NZ LYS A 3 -7.746 -11.104 -0.843 1.00 0.00 N ATOM 0 H LYS A 3 -2.601 -10.330 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.885 -8.233 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.218 -8.182 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.683 -9.849 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.437 -9.660 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.387 -8.307 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.060 -10.105 -3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.663 -11.234 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.273 -9.052 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.079 -9.748 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.669 -10.908 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.821 -11.947 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.040 -11.273 -0.098 1.00 0.00 H new ATOM 58 N ASP A 4 -2.676 -7.484 -0.039 1.00 0.00 N ATOM 59 CA ASP A 4 -2.801 -6.394 0.915 1.00 0.00 C ATOM 60 C ASP A 4 -1.439 -5.721 1.094 1.00 0.00 C ATOM 61 O ASP A 4 -1.363 -4.570 1.523 1.00 0.00 O ATOM 62 CB ASP A 4 -3.260 -6.908 2.281 1.00 0.00 C ATOM 63 CG ASP A 4 -4.541 -6.265 2.816 1.00 0.00 C ATOM 64 OD1 ASP A 4 -5.653 -6.747 2.555 1.00 0.00 O ATOM 65 OD2 ASP A 4 -4.362 -5.212 3.539 1.00 0.00 O ATOM 0 H ASP A 4 -2.588 -8.410 0.381 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.538 -5.690 0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.412 -7.985 2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.460 -6.743 3.002 1.00 0.00 H new ATOM 71 N LEU A 5 -0.396 -6.467 0.758 1.00 0.00 N ATOM 72 CA LEU A 5 0.959 -5.956 0.878 1.00 0.00 C ATOM 73 C LEU A 5 1.127 -4.748 -0.045 1.00 0.00 C ATOM 74 O LEU A 5 1.900 -3.839 0.252 1.00 0.00 O ATOM 75 CB LEU A 5 1.975 -7.071 0.624 1.00 0.00 C ATOM 76 CG LEU A 5 3.064 -7.241 1.685 1.00 0.00 C ATOM 77 CD1 LEU A 5 2.470 -7.733 3.007 1.00 0.00 C ATOM 78 CD2 LEU A 5 4.181 -8.157 1.183 1.00 0.00 C ATOM 0 H LEU A 5 -0.462 -7.421 0.403 1.00 0.00 H new ATOM 0 HA LEU A 5 1.148 -5.609 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.435 -8.013 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.457 -6.885 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 5 3.510 -6.265 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.265 -7.845 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.739 -7.010 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.982 -8.695 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.942 -8.261 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.768 -9.138 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.630 -7.726 0.288 1.00 0.00 H new ATOM 90 N ARG A 6 0.390 -4.778 -1.147 1.00 0.00 N ATOM 91 CA ARG A 6 0.449 -3.695 -2.115 1.00 0.00 C ATOM 92 C ARG A 6 -0.305 -2.472 -1.590 1.00 0.00 C ATOM 93 O ARG A 6 -0.077 -1.354 -2.047 1.00 0.00 O ATOM 94 CB ARG A 6 -0.154 -4.122 -3.454 1.00 0.00 C ATOM 95 CG ARG A 6 0.838 -3.900 -4.598 1.00 0.00 C ATOM 96 CD ARG A 6 0.118 -3.427 -5.863 1.00 0.00 C ATOM 97 NE ARG A 6 0.602 -4.191 -7.035 1.00 0.00 N ATOM 98 CZ ARG A 6 1.846 -4.083 -7.548 1.00 0.00 C ATOM 99 NH1 ARG A 6 2.745 -3.242 -6.994 1.00 0.00 N ATOM 100 NH2 ARG A 6 2.171 -4.814 -8.598 1.00 0.00 N ATOM 0 H ARG A 6 -0.250 -5.534 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 6 1.498 -3.441 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.436 -5.174 -3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.066 -3.556 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.582 -3.161 -4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.374 -4.827 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.958 -3.560 -5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.293 -2.362 -6.015 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.045 -4.840 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.486 -2.682 -6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.683 -3.166 -7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.486 -5.448 -9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.107 -4.744 -8.998 1.00 0.00 H new ATOM 114 N HIS A 7 -1.191 -2.726 -0.638 1.00 0.00 N ATOM 115 CA HIS A 7 -1.981 -1.660 -0.046 1.00 0.00 C ATOM 116 C HIS A 7 -1.110 -0.850 0.916 1.00 0.00 C ATOM 117 O HIS A 7 -1.414 0.306 1.211 1.00 0.00 O ATOM 118 CB HIS A 7 -3.238 -2.222 0.622 1.00 0.00 C ATOM 119 CG HIS A 7 -4.518 -1.905 -0.115 1.00 0.00 C ATOM 120 ND1 HIS A 7 -5.343 -0.851 0.234 1.00 0.00 N ATOM 121 CD2 HIS A 7 -5.104 -2.514 -1.185 1.00 0.00 C ATOM 122 CE1 HIS A 7 -6.377 -0.836 -0.594 1.00 0.00 C ATOM 123 NE2 HIS A 7 -6.227 -1.867 -1.473 1.00 0.00 N ATOM 0 H HIS A 7 -1.379 -3.655 -0.262 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.327 -0.982 -0.826 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.139 -3.304 0.708 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.307 -1.826 1.635 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.720 -3.376 -1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.195 -0.131 -0.576 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.871 -2.103 -2.228 1.00 0.00 H new ATOM 131 N ALA A 8 -0.045 -1.487 1.379 1.00 0.00 N ATOM 132 CA ALA A 8 0.872 -0.840 2.301 1.00 0.00 C ATOM 133 C ALA A 8 1.598 0.297 1.580 1.00 0.00 C ATOM 134 O ALA A 8 1.969 1.293 2.198 1.00 0.00 O ATOM 135 CB ALA A 8 1.839 -1.878 2.874 1.00 0.00 C ATOM 0 H ALA A 8 0.203 -2.445 1.133 1.00 0.00 H new ATOM 0 HA ALA A 8 0.328 -0.404 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.527 -1.392 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.276 -2.647 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.404 -2.336 2.062 1.00 0.00 H new ATOM 141 N PHE A 9 1.780 0.109 0.280 1.00 0.00 N ATOM 142 CA PHE A 9 2.456 1.106 -0.533 1.00 0.00 C ATOM 143 C PHE A 9 1.642 2.400 -0.601 1.00 0.00 C ATOM 144 O PHE A 9 2.194 3.472 -0.847 1.00 0.00 O ATOM 145 CB PHE A 9 2.583 0.522 -1.941 1.00 0.00 C ATOM 146 CG PHE A 9 3.958 -0.075 -2.246 1.00 0.00 C ATOM 147 CD1 PHE A 9 4.512 -0.977 -1.391 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.627 0.295 -3.370 1.00 0.00 C ATOM 149 CE1 PHE A 9 5.789 -1.531 -1.674 1.00 0.00 C ATOM 150 CE2 PHE A 9 5.903 -0.259 -3.653 1.00 0.00 C ATOM 151 CZ PHE A 9 6.457 -1.160 -2.798 1.00 0.00 C ATOM 0 H PHE A 9 1.471 -0.719 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 9 3.429 1.342 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.826 -0.251 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.369 1.305 -2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.981 -1.272 -0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.187 1.011 -4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.229 -2.247 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.434 0.035 -4.547 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.428 -1.581 -3.012 1.00 0.00 H new ATOM 161 N ARG A 10 0.344 2.258 -0.378 1.00 0.00 N ATOM 162 CA ARG A 10 -0.550 3.402 -0.411 1.00 0.00 C ATOM 163 C ARG A 10 -0.307 4.301 0.802 1.00 0.00 C ATOM 164 O ARG A 10 -0.619 5.491 0.771 1.00 0.00 O ATOM 165 CB ARG A 10 -2.014 2.957 -0.423 1.00 0.00 C ATOM 166 CG ARG A 10 -2.418 2.437 -1.803 1.00 0.00 C ATOM 167 CD ARG A 10 -3.288 3.457 -2.540 1.00 0.00 C ATOM 168 NE ARG A 10 -3.206 3.231 -4.001 1.00 0.00 N ATOM 169 CZ ARG A 10 -3.667 4.097 -4.928 1.00 0.00 C ATOM 170 NH1 ARG A 10 -4.246 5.257 -4.554 1.00 0.00 N ATOM 171 NH2 ARG A 10 -3.542 3.792 -6.207 1.00 0.00 N ATOM 0 H ARG A 10 -0.110 1.368 -0.174 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.344 3.958 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.167 2.177 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.654 3.794 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.525 2.223 -2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.962 1.499 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.323 3.372 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.959 4.468 -2.301 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.774 2.367 -4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.338 5.485 -3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.592 5.906 -5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.103 2.913 -6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.885 4.435 -6.921 1.00 0.00 H new ATOM 185 N SER A 11 0.248 3.699 1.844 1.00 0.00 N ATOM 186 CA SER A 11 0.537 4.430 3.066 1.00 0.00 C ATOM 187 C SER A 11 1.775 5.306 2.870 1.00 0.00 C ATOM 188 O SER A 11 2.032 6.211 3.665 1.00 0.00 O ATOM 189 CB SER A 11 0.742 3.475 4.243 1.00 0.00 C ATOM 190 OG SER A 11 -0.158 3.747 5.314 1.00 0.00 O ATOM 0 H SER A 11 0.505 2.712 1.867 1.00 0.00 H new ATOM 0 HA SER A 11 -0.318 5.067 3.295 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.604 2.448 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.768 3.557 4.602 1.00 0.00 H new ATOM 0 HG SER A 11 0.003 3.115 6.045 1.00 0.00 H new ATOM 196 N MET A 12 2.509 5.010 1.809 1.00 0.00 N ATOM 197 CA MET A 12 3.715 5.760 1.499 1.00 0.00 C ATOM 198 C MET A 12 3.392 6.991 0.651 1.00 0.00 C ATOM 199 O MET A 12 4.227 7.880 0.496 1.00 0.00 O ATOM 200 CB MET A 12 4.696 4.861 0.743 1.00 0.00 C ATOM 201 CG MET A 12 5.906 4.516 1.613 1.00 0.00 C ATOM 202 SD MET A 12 7.404 5.085 0.827 1.00 0.00 S ATOM 203 CE MET A 12 8.591 4.692 2.102 1.00 0.00 C ATOM 0 H MET A 12 2.292 4.261 1.152 1.00 0.00 H new ATOM 0 HA MET A 12 4.163 6.094 2.435 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.192 3.945 0.435 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.028 5.363 -0.166 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.802 4.978 2.595 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.955 3.439 1.772 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.588 4.984 1.773 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.337 5.232 3.014 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.573 3.620 2.298 1.00 0.00 H new ATOM 213 N PHE A 13 2.177 7.004 0.122 1.00 0.00 N ATOM 214 CA PHE A 13 1.733 8.111 -0.707 1.00 0.00 C ATOM 215 C PHE A 13 1.651 9.406 0.105 1.00 0.00 C ATOM 216 O PHE A 13 2.188 10.433 -0.304 1.00 0.00 O ATOM 217 CB PHE A 13 0.335 7.754 -1.218 1.00 0.00 C ATOM 218 CG PHE A 13 0.202 7.792 -2.742 1.00 0.00 C ATOM 219 CD1 PHE A 13 0.031 8.980 -3.381 1.00 0.00 C ATOM 220 CD2 PHE A 13 0.254 6.636 -3.457 1.00 0.00 C ATOM 221 CE1 PHE A 13 -0.093 9.014 -4.795 1.00 0.00 C ATOM 222 CE2 PHE A 13 0.130 6.670 -4.872 1.00 0.00 C ATOM 223 CZ PHE A 13 -0.040 7.859 -5.510 1.00 0.00 C ATOM 0 H PHE A 13 1.486 6.265 0.252 1.00 0.00 H new ATOM 0 HA PHE A 13 2.437 8.270 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.074 6.756 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.387 8.445 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.010 9.898 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.390 5.692 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.229 9.957 -5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.171 5.753 -5.440 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.133 7.886 -6.586 1.00 0.00 H new ATOM 233 N PRO A 14 0.957 9.311 1.270 1.00 0.00 N ATOM 234 CA PRO A 14 0.798 10.461 2.143 1.00 0.00 C ATOM 235 C PRO A 14 2.094 10.759 2.899 1.00 0.00 C ATOM 236 O PRO A 14 2.312 11.883 3.347 1.00 0.00 O ATOM 237 CB PRO A 14 -0.357 10.101 3.063 1.00 0.00 C ATOM 238 CG PRO A 14 -0.498 8.590 2.982 1.00 0.00 C ATOM 239 CD PRO A 14 0.307 8.110 1.786 1.00 0.00 C ATOM 0 HA PRO A 14 0.582 11.378 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.156 10.420 4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.276 10.597 2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.136 8.123 3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.546 8.310 2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.040 7.358 2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.336 7.653 1.033 1.00 0.00 H new ATOM 247 N SER A 15 2.922 9.731 3.017 1.00 0.00 N ATOM 248 CA SER A 15 4.192 9.869 3.711 1.00 0.00 C ATOM 249 C SER A 15 5.260 10.392 2.749 1.00 0.00 C ATOM 250 O SER A 15 6.241 10.998 3.177 1.00 0.00 O ATOM 251 CB SER A 15 4.633 8.536 4.320 1.00 0.00 C ATOM 252 OG SER A 15 3.672 8.026 5.241 1.00 0.00 O ATOM 0 H SER A 15 2.739 8.800 2.644 1.00 0.00 H new ATOM 0 HA SER A 15 4.063 10.584 4.523 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.794 7.809 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.588 8.668 4.828 1.00 0.00 H new ATOM 0 HG SER A 15 3.075 7.401 4.779 1.00 0.00 H new ATOM 258 N SER A 16 5.033 10.139 1.469 1.00 0.00 N ATOM 259 CA SER A 16 5.965 10.577 0.444 1.00 0.00 C ATOM 260 C SER A 16 5.764 12.068 0.157 1.00 0.00 C ATOM 261 O SER A 16 6.640 12.717 -0.413 1.00 0.00 O ATOM 262 CB SER A 16 5.794 9.763 -0.840 1.00 0.00 C ATOM 263 OG SER A 16 6.708 10.168 -1.856 1.00 0.00 O ATOM 0 H SER A 16 4.218 9.636 1.118 1.00 0.00 H new ATOM 0 HA SER A 16 6.978 10.417 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.941 8.705 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.773 9.874 -1.206 1.00 0.00 H new ATOM 0 HG SER A 16 6.567 9.623 -2.658 1.00 0.00 H new ATOM 269 N GLU A 17 4.607 12.566 0.565 1.00 0.00 N ATOM 270 CA GLU A 17 4.280 13.966 0.360 1.00 0.00 C ATOM 271 C GLU A 17 4.796 14.808 1.529 1.00 0.00 C ATOM 272 O GLU A 17 4.771 16.037 1.471 1.00 0.00 O ATOM 273 CB GLU A 17 2.773 14.156 0.169 1.00 0.00 C ATOM 274 CG GLU A 17 2.454 14.610 -1.256 1.00 0.00 C ATOM 275 CD GLU A 17 1.915 13.448 -2.093 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.601 12.427 -2.252 1.00 0.00 O ATOM 277 OE2 GLU A 17 0.737 13.632 -2.587 1.00 0.00 O ATOM 0 H GLU A 17 3.883 12.024 1.037 1.00 0.00 H new ATOM 0 HA GLU A 17 4.773 14.304 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.255 13.221 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.403 14.894 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.720 15.415 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.353 15.013 -1.723 1.00 0.00 H new TER 285 GLU A 17