USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=4 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+ 180:sc= 0 (180deg=0) 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= -0.52 X(o=-0.52,f=-0.24) 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 180:sc= 0 USER MOD Single : A 16 SER OG : rot 82:sc=0.000564 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -2.902 -14.082 0.276 1.00 0.00 N ATOM 2 CA ARG A 1 -3.497 -12.764 0.408 1.00 0.00 C ATOM 3 C ARG A 1 -2.407 -11.699 0.552 1.00 0.00 C ATOM 4 O ARG A 1 -2.409 -10.929 1.510 1.00 0.00 O ATOM 5 CB ARG A 1 -4.427 -12.698 1.622 1.00 0.00 C ATOM 6 CG ARG A 1 -5.704 -13.505 1.379 1.00 0.00 C ATOM 7 CD ARG A 1 -6.945 -12.622 1.521 1.00 0.00 C ATOM 8 NE ARG A 1 -7.656 -12.947 2.779 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.591 -13.914 2.890 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.938 -14.660 1.819 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.163 -14.120 4.062 1.00 0.00 N ATOM 0 H1 ARG A 1 -3.654 -14.794 0.179 1.00 0.00 H new ATOM 0 H2 ARG A 1 -2.293 -14.105 -0.566 1.00 0.00 H new ATOM 0 H3 ARG A 1 -2.333 -14.292 1.121 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.079 -12.573 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -3.911 -13.083 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -4.683 -11.660 1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.677 -13.943 0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -5.757 -14.331 2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.656 -11.571 1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.608 -12.773 0.669 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.425 -12.407 3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.492 -14.495 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.646 -15.389 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -8.896 -13.552 4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -9.871 -14.847 4.163 1.00 0.00 H new ATOM 26 N SER A 2 -1.502 -11.691 -0.416 1.00 0.00 N ATOM 27 CA SER A 2 -0.408 -10.735 -0.410 1.00 0.00 C ATOM 28 C SER A 2 -0.778 -9.512 -1.252 1.00 0.00 C ATOM 29 O SER A 2 0.075 -8.675 -1.545 1.00 0.00 O ATOM 30 CB SER A 2 0.881 -11.370 -0.934 1.00 0.00 C ATOM 31 OG SER A 2 1.853 -11.530 0.095 1.00 0.00 O ATOM 0 H SER A 2 -1.504 -12.332 -1.210 1.00 0.00 H new ATOM 0 HA SER A 2 -0.234 -10.421 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.654 -12.342 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.294 -10.749 -1.729 1.00 0.00 H new ATOM 0 HG SER A 2 2.661 -11.940 -0.279 1.00 0.00 H new ATOM 37 N LYS A 3 -2.049 -9.448 -1.618 1.00 0.00 N ATOM 38 CA LYS A 3 -2.542 -8.341 -2.421 1.00 0.00 C ATOM 39 C LYS A 3 -2.665 -7.094 -1.542 1.00 0.00 C ATOM 40 O LYS A 3 -2.683 -5.974 -2.048 1.00 0.00 O ATOM 41 CB LYS A 3 -3.843 -8.728 -3.126 1.00 0.00 C ATOM 42 CG LYS A 3 -3.561 -9.493 -4.420 1.00 0.00 C ATOM 43 CD LYS A 3 -3.630 -11.004 -4.191 1.00 0.00 C ATOM 44 CE LYS A 3 -5.011 -11.550 -4.559 1.00 0.00 C ATOM 45 NZ LYS A 3 -4.883 -12.791 -5.354 1.00 0.00 N ATOM 0 H LYS A 3 -2.753 -10.144 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.835 -8.102 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.451 -9.342 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.420 -7.831 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.284 -9.204 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.575 -9.224 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.867 -11.502 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.413 -11.228 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.583 -11.749 -3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.564 -10.803 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.830 -13.148 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.356 -12.591 -6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.374 -13.508 -4.799 1.00 0.00 H new ATOM 58 N ASP A 4 -2.747 -7.333 -0.242 1.00 0.00 N ATOM 59 CA ASP A 4 -2.868 -6.243 0.712 1.00 0.00 C ATOM 60 C ASP A 4 -1.510 -5.557 0.872 1.00 0.00 C ATOM 61 O ASP A 4 -1.438 -4.408 1.303 1.00 0.00 O ATOM 62 CB ASP A 4 -3.302 -6.758 2.086 1.00 0.00 C ATOM 63 CG ASP A 4 -4.587 -6.134 2.635 1.00 0.00 C ATOM 64 OD1 ASP A 4 -5.648 -6.777 2.661 1.00 0.00 O ATOM 65 OD2 ASP A 4 -4.467 -4.920 3.053 1.00 0.00 O ATOM 0 H ASP A 4 -2.732 -8.264 0.173 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.617 -5.547 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.437 -7.838 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.496 -6.577 2.797 1.00 0.00 H new ATOM 71 N LEU A 5 -0.467 -6.292 0.516 1.00 0.00 N ATOM 72 CA LEU A 5 0.885 -5.770 0.615 1.00 0.00 C ATOM 73 C LEU A 5 1.029 -4.559 -0.311 1.00 0.00 C ATOM 74 O LEU A 5 1.798 -3.644 -0.025 1.00 0.00 O ATOM 75 CB LEU A 5 1.908 -6.875 0.345 1.00 0.00 C ATOM 76 CG LEU A 5 2.956 -7.100 1.436 1.00 0.00 C ATOM 77 CD1 LEU A 5 3.438 -8.552 1.443 1.00 0.00 C ATOM 78 CD2 LEU A 5 4.116 -6.113 1.294 1.00 0.00 C ATOM 0 H LEU A 5 -0.531 -7.245 0.158 1.00 0.00 H new ATOM 0 HA LEU A 5 1.085 -5.423 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.370 -7.810 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.426 -6.644 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 5 2.488 -6.911 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.182 -8.684 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.593 -9.215 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.882 -8.792 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.847 -6.295 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.590 -6.246 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.739 -5.094 1.377 1.00 0.00 H new ATOM 90 N ARG A 6 0.276 -4.595 -1.399 1.00 0.00 N ATOM 91 CA ARG A 6 0.308 -3.513 -2.368 1.00 0.00 C ATOM 92 C ARG A 6 -0.449 -2.296 -1.832 1.00 0.00 C ATOM 93 O ARG A 6 -0.238 -1.177 -2.293 1.00 0.00 O ATOM 94 CB ARG A 6 -0.311 -3.945 -3.698 1.00 0.00 C ATOM 95 CG ARG A 6 0.736 -3.957 -4.813 1.00 0.00 C ATOM 96 CD ARG A 6 1.077 -5.390 -5.230 1.00 0.00 C ATOM 97 NE ARG A 6 2.409 -5.426 -5.873 1.00 0.00 N ATOM 98 CZ ARG A 6 3.132 -6.552 -6.056 1.00 0.00 C ATOM 99 NH1 ARG A 6 2.656 -7.746 -5.643 1.00 0.00 N ATOM 100 NH2 ARG A 6 4.311 -6.468 -6.643 1.00 0.00 N ATOM 0 H ARG A 6 -0.361 -5.357 -1.632 1.00 0.00 H new ATOM 0 HA ARG A 6 1.353 -3.250 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.748 -4.938 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.122 -3.266 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.362 -3.403 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.639 -3.448 -4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.067 -6.044 -4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.321 -5.767 -5.919 1.00 0.00 H new ATOM 0 HE ARG A 6 2.806 -4.545 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.744 -7.802 -5.189 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.208 -8.592 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.664 -5.562 -6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.869 -7.309 -6.789 1.00 0.00 H new ATOM 114 N HIS A 7 -1.317 -2.559 -0.865 1.00 0.00 N ATOM 115 CA HIS A 7 -2.108 -1.500 -0.261 1.00 0.00 C ATOM 116 C HIS A 7 -1.230 -0.682 0.687 1.00 0.00 C ATOM 117 O HIS A 7 -1.539 0.470 0.987 1.00 0.00 O ATOM 118 CB HIS A 7 -3.349 -2.073 0.425 1.00 0.00 C ATOM 119 CG HIS A 7 -4.653 -1.538 -0.118 1.00 0.00 C ATOM 120 ND1 HIS A 7 -5.852 -1.653 0.564 1.00 0.00 N ATOM 121 CD2 HIS A 7 -4.932 -0.885 -1.281 1.00 0.00 C ATOM 122 CE1 HIS A 7 -6.804 -1.091 -0.166 1.00 0.00 C ATOM 123 NE2 HIS A 7 -6.232 -0.615 -1.310 1.00 0.00 N ATOM 0 H HIS A 7 -1.490 -3.490 -0.485 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.472 -0.825 -1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.341 -3.158 0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.295 -1.856 1.492 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.217 -0.630 -2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.849 -1.022 0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.722 -0.132 -2.063 1.00 0.00 H new ATOM 131 N ALA A 8 -0.152 -1.310 1.134 1.00 0.00 N ATOM 132 CA ALA A 8 0.773 -0.655 2.043 1.00 0.00 C ATOM 133 C ALA A 8 1.478 0.489 1.309 1.00 0.00 C ATOM 134 O ALA A 8 1.849 1.489 1.922 1.00 0.00 O ATOM 135 CB ALA A 8 1.759 -1.684 2.599 1.00 0.00 C ATOM 0 H ALA A 8 0.101 -2.266 0.883 1.00 0.00 H new ATOM 0 HA ALA A 8 0.238 -0.225 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.453 -1.192 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.212 -2.459 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.316 -2.135 1.778 1.00 0.00 H new ATOM 141 N PHE A 9 1.642 0.302 0.008 1.00 0.00 N ATOM 142 CA PHE A 9 2.296 1.306 -0.815 1.00 0.00 C ATOM 143 C PHE A 9 1.469 2.592 -0.870 1.00 0.00 C ATOM 144 O PHE A 9 2.008 3.669 -1.126 1.00 0.00 O ATOM 145 CB PHE A 9 2.406 0.724 -2.226 1.00 0.00 C ATOM 146 CG PHE A 9 3.782 0.141 -2.554 1.00 0.00 C ATOM 147 CD1 PHE A 9 4.279 -0.885 -1.813 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.508 0.650 -3.585 1.00 0.00 C ATOM 149 CE1 PHE A 9 5.557 -1.426 -2.117 1.00 0.00 C ATOM 150 CE2 PHE A 9 5.785 0.109 -3.889 1.00 0.00 C ATOM 151 CZ PHE A 9 6.283 -0.917 -3.148 1.00 0.00 C ATOM 0 H PHE A 9 1.334 -0.529 -0.497 1.00 0.00 H new ATOM 0 HA PHE A 9 3.273 1.551 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.654 -0.056 -2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.172 1.505 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.703 -1.289 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.113 1.466 -4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.952 -2.241 -1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.361 0.512 -4.709 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.255 -1.327 -3.378 1.00 0.00 H new ATOM 161 N ARG A 10 0.176 2.439 -0.626 1.00 0.00 N ATOM 162 CA ARG A 10 -0.728 3.576 -0.645 1.00 0.00 C ATOM 163 C ARG A 10 -0.474 4.476 0.566 1.00 0.00 C ATOM 164 O ARG A 10 -0.797 5.663 0.540 1.00 0.00 O ATOM 165 CB ARG A 10 -2.188 3.117 -0.633 1.00 0.00 C ATOM 166 CG ARG A 10 -2.893 3.498 -1.937 1.00 0.00 C ATOM 167 CD ARG A 10 -2.367 2.665 -3.107 1.00 0.00 C ATOM 168 NE ARG A 10 -2.936 3.163 -4.379 1.00 0.00 N ATOM 169 CZ ARG A 10 -2.867 2.498 -5.551 1.00 0.00 C ATOM 170 NH1 ARG A 10 -2.251 1.299 -5.624 1.00 0.00 N ATOM 171 NH2 ARG A 10 -3.411 3.037 -6.627 1.00 0.00 N ATOM 0 H ARG A 10 -0.267 1.545 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.541 4.134 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.232 2.037 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.708 3.569 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.967 3.346 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.739 4.557 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.279 2.717 -3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.632 1.617 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.410 4.066 -4.369 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.833 0.889 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.204 0.803 -6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.875 3.943 -6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.367 2.547 -7.521 1.00 0.00 H new ATOM 185 N SER A 11 0.103 3.878 1.597 1.00 0.00 N ATOM 186 CA SER A 11 0.405 4.612 2.815 1.00 0.00 C ATOM 187 C SER A 11 1.632 5.500 2.600 1.00 0.00 C ATOM 188 O SER A 11 1.892 6.406 3.391 1.00 0.00 O ATOM 189 CB SER A 11 0.639 3.659 3.989 1.00 0.00 C ATOM 190 OG SER A 11 0.263 4.242 5.233 1.00 0.00 O ATOM 0 H SER A 11 0.370 2.894 1.615 1.00 0.00 H new ATOM 0 HA SER A 11 -0.452 5.240 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.070 2.743 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.692 3.378 4.024 1.00 0.00 H new ATOM 0 HG SER A 11 0.426 3.602 5.957 1.00 0.00 H new ATOM 196 N MET A 12 2.352 5.209 1.528 1.00 0.00 N ATOM 197 CA MET A 12 3.546 5.971 1.199 1.00 0.00 C ATOM 198 C MET A 12 3.198 7.199 0.355 1.00 0.00 C ATOM 199 O MET A 12 4.023 8.096 0.187 1.00 0.00 O ATOM 200 CB MET A 12 4.522 5.082 0.428 1.00 0.00 C ATOM 201 CG MET A 12 5.765 4.775 1.267 1.00 0.00 C ATOM 202 SD MET A 12 6.852 3.679 0.370 1.00 0.00 S ATOM 203 CE MET A 12 8.392 4.019 1.206 1.00 0.00 C ATOM 0 H MET A 12 2.133 4.456 0.875 1.00 0.00 H new ATOM 0 HA MET A 12 4.005 6.310 2.128 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.029 4.151 0.149 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.817 5.577 -0.497 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.288 5.700 1.510 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.472 4.317 2.212 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.185 3.413 0.768 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.639 5.075 1.098 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.293 3.776 2.264 1.00 0.00 H new ATOM 213 N PHE A 13 1.974 7.201 -0.153 1.00 0.00 N ATOM 214 CA PHE A 13 1.507 8.304 -0.976 1.00 0.00 C ATOM 215 C PHE A 13 1.427 9.598 -0.163 1.00 0.00 C ATOM 216 O PHE A 13 1.948 10.630 -0.580 1.00 0.00 O ATOM 217 CB PHE A 13 0.105 7.935 -1.464 1.00 0.00 C ATOM 218 CG PHE A 13 -0.054 7.971 -2.985 1.00 0.00 C ATOM 219 CD1 PHE A 13 0.250 9.103 -3.674 1.00 0.00 C ATOM 220 CD2 PHE A 13 -0.498 6.869 -3.649 1.00 0.00 C ATOM 221 CE1 PHE A 13 0.102 9.135 -5.087 1.00 0.00 C ATOM 222 CE2 PHE A 13 -0.644 6.902 -5.061 1.00 0.00 C ATOM 223 CZ PHE A 13 -0.341 8.035 -5.750 1.00 0.00 C ATOM 0 H PHE A 13 1.292 6.456 -0.011 1.00 0.00 H new ATOM 0 HA PHE A 13 2.196 8.469 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.141 6.935 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.616 8.620 -1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.604 9.977 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.739 5.970 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.342 10.035 -5.634 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.996 6.027 -5.588 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.453 8.060 -6.824 1.00 0.00 H new ATOM 233 N PRO A 14 0.752 9.497 1.014 1.00 0.00 N ATOM 234 CA PRO A 14 0.597 10.646 1.889 1.00 0.00 C ATOM 235 C PRO A 14 1.903 10.956 2.625 1.00 0.00 C ATOM 236 O PRO A 14 2.117 12.082 3.069 1.00 0.00 O ATOM 237 CB PRO A 14 -0.539 10.276 2.828 1.00 0.00 C ATOM 238 CG PRO A 14 -0.669 8.763 2.750 1.00 0.00 C ATOM 239 CD PRO A 14 0.122 8.290 1.540 1.00 0.00 C ATOM 0 HA PRO A 14 0.364 11.560 1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.324 10.597 3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.467 10.764 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.288 8.300 3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.716 8.474 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.866 7.545 1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.529 7.827 0.798 1.00 0.00 H new ATOM 247 N SER A 15 2.742 9.935 2.729 1.00 0.00 N ATOM 248 CA SER A 15 4.020 10.085 3.403 1.00 0.00 C ATOM 249 C SER A 15 5.069 10.617 2.424 1.00 0.00 C ATOM 250 O SER A 15 6.051 11.233 2.836 1.00 0.00 O ATOM 251 CB SER A 15 4.483 8.756 4.005 1.00 0.00 C ATOM 252 OG SER A 15 4.097 8.625 5.369 1.00 0.00 O ATOM 0 H SER A 15 2.562 9.002 2.358 1.00 0.00 H new ATOM 0 HA SER A 15 3.896 10.800 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.064 7.931 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.568 8.681 3.926 1.00 0.00 H new ATOM 0 HG SER A 15 4.409 7.763 5.716 1.00 0.00 H new ATOM 258 N SER A 16 4.824 10.362 1.147 1.00 0.00 N ATOM 259 CA SER A 16 5.734 10.810 0.107 1.00 0.00 C ATOM 260 C SER A 16 5.714 12.337 0.015 1.00 0.00 C ATOM 261 O SER A 16 6.644 12.942 -0.517 1.00 0.00 O ATOM 262 CB SER A 16 5.371 10.192 -1.245 1.00 0.00 C ATOM 263 OG SER A 16 6.258 9.137 -1.606 1.00 0.00 O ATOM 0 H SER A 16 4.008 9.851 0.809 1.00 0.00 H new ATOM 0 HA SER A 16 6.740 10.482 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.351 9.810 -1.207 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.394 10.964 -2.014 1.00 0.00 H new ATOM 0 HG SER A 16 5.983 8.310 -1.157 1.00 0.00 H new ATOM 269 N GLU A 17 4.646 12.916 0.541 1.00 0.00 N ATOM 270 CA GLU A 17 4.493 14.361 0.526 1.00 0.00 C ATOM 271 C GLU A 17 5.209 14.983 1.726 1.00 0.00 C ATOM 272 O GLU A 17 5.697 14.270 2.600 1.00 0.00 O ATOM 273 CB GLU A 17 3.015 14.756 0.504 1.00 0.00 C ATOM 274 CG GLU A 17 2.629 15.364 -0.847 1.00 0.00 C ATOM 275 CD GLU A 17 1.254 14.868 -1.299 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.054 13.655 -1.457 1.00 0.00 O ATOM 277 OE2 GLU A 17 0.377 15.794 -1.488 1.00 0.00 O ATOM 0 H GLU A 17 3.877 12.411 0.981 1.00 0.00 H new ATOM 0 HA GLU A 17 4.951 14.746 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.398 13.880 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.815 15.473 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.620 16.451 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.378 15.102 -1.595 1.00 0.00 H new TER 285 GLU A 17