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+ -160:sc= -0.236 (180deg=-1) 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= -0.274 X(o=-0.27,f=-0.25) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.502 -12.602 2.780 1.00 0.00 N ATOM 2 CA ARG A 1 -4.367 -11.435 1.925 1.00 0.00 C ATOM 3 C ARG A 1 -2.892 -11.175 1.609 1.00 0.00 C ATOM 4 O ARG A 1 -2.204 -10.490 2.364 1.00 0.00 O ATOM 5 CB ARG A 1 -4.965 -10.193 2.590 1.00 0.00 C ATOM 6 CG ARG A 1 -6.264 -10.535 3.321 1.00 0.00 C ATOM 7 CD ARG A 1 -7.329 -11.035 2.342 1.00 0.00 C ATOM 8 NE ARG A 1 -8.106 -9.892 1.812 1.00 0.00 N ATOM 9 CZ ARG A 1 -7.758 -9.185 0.716 1.00 0.00 C ATOM 10 NH1 ARG A 1 -6.642 -9.497 0.024 1.00 0.00 N ATOM 11 NH2 ARG A 1 -8.526 -8.182 0.331 1.00 0.00 N ATOM 0 H1 ARG A 1 -5.473 -12.970 2.715 1.00 0.00 H new ATOM 0 H2 ARG A 1 -3.833 -13.336 2.473 1.00 0.00 H new ATOM 0 H3 ARG A 1 -4.297 -12.337 3.765 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.910 -11.637 1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -4.247 -9.772 3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.158 -9.430 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.071 -11.298 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -6.633 -9.654 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.856 -11.575 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.995 -11.737 2.844 1.00 0.00 H new ATOM 0 HE ARG A 1 -8.957 -9.622 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -6.054 -10.273 0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -6.387 -8.957 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.367 -7.952 0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -8.278 -7.637 -0.495 1.00 0.00 H new ATOM 26 N SER A 2 -2.451 -11.737 0.494 1.00 0.00 N ATOM 27 CA SER A 2 -1.071 -11.575 0.069 1.00 0.00 C ATOM 28 C SER A 2 -0.920 -10.284 -0.738 1.00 0.00 C ATOM 29 O SER A 2 0.177 -9.736 -0.841 1.00 0.00 O ATOM 30 CB SER A 2 -0.604 -12.776 -0.756 1.00 0.00 C ATOM 31 OG SER A 2 -0.549 -12.477 -2.148 1.00 0.00 O ATOM 0 H SER A 2 -3.025 -12.305 -0.129 1.00 0.00 H new ATOM 0 HA SER A 2 -0.444 -11.515 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.382 -13.090 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.281 -13.614 -0.592 1.00 0.00 H new ATOM 0 HG SER A 2 -0.245 -13.268 -2.641 1.00 0.00 H new ATOM 37 N LYS A 3 -2.036 -9.837 -1.293 1.00 0.00 N ATOM 38 CA LYS A 3 -2.042 -8.620 -2.088 1.00 0.00 C ATOM 39 C LYS A 3 -2.198 -7.412 -1.164 1.00 0.00 C ATOM 40 O LYS A 3 -2.372 -6.287 -1.630 1.00 0.00 O ATOM 41 CB LYS A 3 -3.110 -8.701 -3.182 1.00 0.00 C ATOM 42 CG LYS A 3 -2.718 -9.714 -4.258 1.00 0.00 C ATOM 43 CD LYS A 3 -3.912 -10.585 -4.653 1.00 0.00 C ATOM 44 CE LYS A 3 -3.459 -11.806 -5.456 1.00 0.00 C ATOM 45 NZ LYS A 3 -4.616 -12.455 -6.111 1.00 0.00 N ATOM 0 H LYS A 3 -2.943 -10.295 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.092 -8.501 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.066 -8.985 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.247 -7.719 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.340 -9.190 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.909 -10.345 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.441 -10.910 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.615 -9.998 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.730 -11.504 -6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.961 -12.517 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.290 -13.282 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.298 -12.761 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.074 -11.779 -6.755 1.00 0.00 H new ATOM 58 N ASP A 4 -2.131 -7.685 0.131 1.00 0.00 N ATOM 59 CA ASP A 4 -2.263 -6.633 1.126 1.00 0.00 C ATOM 60 C ASP A 4 -0.926 -5.903 1.269 1.00 0.00 C ATOM 61 O ASP A 4 -0.883 -4.768 1.743 1.00 0.00 O ATOM 62 CB ASP A 4 -2.635 -7.212 2.493 1.00 0.00 C ATOM 63 CG ASP A 4 -3.930 -6.665 3.095 1.00 0.00 C ATOM 64 OD1 ASP A 4 -3.905 -5.815 3.998 1.00 0.00 O ATOM 65 OD2 ASP A 4 -5.013 -7.153 2.594 1.00 0.00 O ATOM 0 H ASP A 4 -1.987 -8.619 0.515 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.049 -5.953 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.724 -8.294 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.818 -7.017 3.188 1.00 0.00 H new ATOM 71 N LEU A 5 0.131 -6.583 0.851 1.00 0.00 N ATOM 72 CA LEU A 5 1.465 -6.013 0.928 1.00 0.00 C ATOM 73 C LEU A 5 1.534 -4.768 0.041 1.00 0.00 C ATOM 74 O LEU A 5 2.279 -3.833 0.334 1.00 0.00 O ATOM 75 CB LEU A 5 2.520 -7.068 0.589 1.00 0.00 C ATOM 76 CG LEU A 5 3.248 -7.695 1.779 1.00 0.00 C ATOM 77 CD1 LEU A 5 2.459 -8.878 2.343 1.00 0.00 C ATOM 78 CD2 LEU A 5 4.678 -8.088 1.402 1.00 0.00 C ATOM 0 H LEU A 5 0.091 -7.523 0.458 1.00 0.00 H new ATOM 0 HA LEU A 5 1.684 -5.693 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.039 -7.865 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.262 -6.613 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 5 3.317 -6.948 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.999 -9.306 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.478 -8.537 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.337 -9.636 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.173 -8.531 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.654 -8.811 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.227 -7.202 1.084 1.00 0.00 H new ATOM 90 N ARG A 6 0.748 -4.795 -1.025 1.00 0.00 N ATOM 91 CA ARG A 6 0.712 -3.680 -1.956 1.00 0.00 C ATOM 92 C ARG A 6 -0.074 -2.512 -1.355 1.00 0.00 C ATOM 93 O ARG A 6 0.084 -1.369 -1.782 1.00 0.00 O ATOM 94 CB ARG A 6 0.066 -4.091 -3.282 1.00 0.00 C ATOM 95 CG ARG A 6 1.108 -4.658 -4.247 1.00 0.00 C ATOM 96 CD ARG A 6 1.141 -6.187 -4.182 1.00 0.00 C ATOM 97 NE ARG A 6 2.394 -6.639 -3.536 1.00 0.00 N ATOM 98 CZ ARG A 6 2.900 -7.885 -3.657 1.00 0.00 C ATOM 99 NH1 ARG A 6 2.262 -8.815 -4.398 1.00 0.00 N ATOM 100 NH2 ARG A 6 4.027 -8.181 -3.036 1.00 0.00 N ATOM 0 H ARG A 6 0.131 -5.571 -1.265 1.00 0.00 H new ATOM 0 HA ARG A 6 1.740 -3.372 -2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.708 -4.836 -3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.423 -3.229 -3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.879 -4.339 -5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.092 -4.259 -4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.281 -6.554 -3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.069 -6.604 -5.187 1.00 0.00 H new ATOM 0 HE ARG A 6 2.907 -5.968 -2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.390 -8.579 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.652 -9.754 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.502 -7.473 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.423 -9.117 -3.117 1.00 0.00 H new ATOM 114 N HIS A 7 -0.901 -2.840 -0.373 1.00 0.00 N ATOM 115 CA HIS A 7 -1.709 -1.832 0.291 1.00 0.00 C ATOM 116 C HIS A 7 -0.832 -1.015 1.241 1.00 0.00 C ATOM 117 O HIS A 7 -1.175 0.115 1.592 1.00 0.00 O ATOM 118 CB HIS A 7 -2.908 -2.474 0.994 1.00 0.00 C ATOM 119 CG HIS A 7 -4.064 -2.785 0.075 1.00 0.00 C ATOM 120 ND1 HIS A 7 -4.559 -1.874 -0.842 1.00 0.00 N ATOM 121 CD2 HIS A 7 -4.817 -3.914 -0.059 1.00 0.00 C ATOM 122 CE1 HIS A 7 -5.565 -2.441 -1.492 1.00 0.00 C ATOM 123 NE2 HIS A 7 -5.724 -3.705 -1.005 1.00 0.00 N ATOM 0 H HIS A 7 -1.029 -3.789 -0.022 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.120 -1.145 -0.448 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.583 -3.396 1.476 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.254 -1.806 1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.696 -4.825 0.509 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.156 -1.982 -2.271 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.424 -4.378 -1.316 1.00 0.00 H new ATOM 131 N ALA A 8 0.282 -1.616 1.632 1.00 0.00 N ATOM 132 CA ALA A 8 1.210 -0.957 2.535 1.00 0.00 C ATOM 133 C ALA A 8 1.849 0.236 1.822 1.00 0.00 C ATOM 134 O ALA A 8 2.202 1.228 2.458 1.00 0.00 O ATOM 135 CB ALA A 8 2.249 -1.968 3.026 1.00 0.00 C ATOM 0 H ALA A 8 0.563 -2.552 1.340 1.00 0.00 H new ATOM 0 HA ALA A 8 0.687 -0.575 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.945 -1.474 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.746 -2.780 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.796 -2.371 2.174 1.00 0.00 H new ATOM 141 N PHE A 9 1.979 0.100 0.511 1.00 0.00 N ATOM 142 CA PHE A 9 2.569 1.155 -0.297 1.00 0.00 C ATOM 143 C PHE A 9 1.696 2.411 -0.281 1.00 0.00 C ATOM 144 O PHE A 9 2.186 3.514 -0.515 1.00 0.00 O ATOM 145 CB PHE A 9 2.656 0.626 -1.730 1.00 0.00 C ATOM 146 CG PHE A 9 4.042 0.107 -2.118 1.00 0.00 C ATOM 147 CD1 PHE A 9 5.093 0.967 -2.194 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.222 -1.214 -2.388 1.00 0.00 C ATOM 149 CE1 PHE A 9 6.380 0.485 -2.554 1.00 0.00 C ATOM 150 CE2 PHE A 9 5.508 -1.695 -2.749 1.00 0.00 C ATOM 151 CZ PHE A 9 6.560 -0.836 -2.824 1.00 0.00 C ATOM 0 H PHE A 9 1.686 -0.725 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 9 3.549 1.422 0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.930 -0.178 -1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.371 1.422 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.949 2.016 -1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.387 -1.896 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.215 1.167 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.651 -2.744 -2.964 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.538 -1.203 -3.098 1.00 0.00 H new ATOM 161 N ARG A 10 0.417 2.201 -0.004 1.00 0.00 N ATOM 162 CA ARG A 10 -0.529 3.302 0.045 1.00 0.00 C ATOM 163 C ARG A 10 -0.269 4.171 1.277 1.00 0.00 C ATOM 164 O ARG A 10 -0.635 5.345 1.302 1.00 0.00 O ATOM 165 CB ARG A 10 -1.970 2.790 0.085 1.00 0.00 C ATOM 166 CG ARG A 10 -2.958 3.901 -0.277 1.00 0.00 C ATOM 167 CD ARG A 10 -4.140 3.345 -1.075 1.00 0.00 C ATOM 168 NE ARG A 10 -5.137 4.413 -1.309 1.00 0.00 N ATOM 169 CZ ARG A 10 -5.988 4.875 -0.369 1.00 0.00 C ATOM 170 NH1 ARG A 10 -5.968 4.366 0.882 1.00 0.00 N ATOM 171 NH2 ARG A 10 -6.838 5.832 -0.688 1.00 0.00 N ATOM 0 H ARG A 10 0.014 1.284 0.189 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.392 3.896 -0.858 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.083 1.958 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.196 2.408 1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.321 4.380 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.450 4.669 -0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.791 2.946 -2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.600 2.519 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.184 4.826 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.307 3.627 1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.614 4.720 1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.846 6.213 -1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.487 6.191 0.012 1.00 0.00 H new ATOM 185 N SER A 11 0.361 3.560 2.269 1.00 0.00 N ATOM 186 CA SER A 11 0.673 4.263 3.503 1.00 0.00 C ATOM 187 C SER A 11 1.861 5.202 3.282 1.00 0.00 C ATOM 188 O SER A 11 2.113 6.090 4.096 1.00 0.00 O ATOM 189 CB SER A 11 0.978 3.279 4.635 1.00 0.00 C ATOM 190 OG SER A 11 0.479 3.738 5.888 1.00 0.00 O ATOM 0 H SER A 11 0.664 2.586 2.244 1.00 0.00 H new ATOM 0 HA SER A 11 -0.198 4.850 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.537 2.310 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.055 3.130 4.706 1.00 0.00 H new ATOM 0 HG SER A 11 0.692 3.083 6.585 1.00 0.00 H new ATOM 196 N MET A 12 2.557 4.976 2.178 1.00 0.00 N ATOM 197 CA MET A 12 3.711 5.792 1.841 1.00 0.00 C ATOM 198 C MET A 12 3.292 7.035 1.052 1.00 0.00 C ATOM 199 O MET A 12 4.080 7.966 0.891 1.00 0.00 O ATOM 200 CB MET A 12 4.695 4.966 1.009 1.00 0.00 C ATOM 201 CG MET A 12 6.055 4.873 1.701 1.00 0.00 C ATOM 202 SD MET A 12 6.004 3.634 2.985 1.00 0.00 S ATOM 203 CE MET A 12 7.710 3.657 3.507 1.00 0.00 C ATOM 0 H MET A 12 2.344 4.240 1.505 1.00 0.00 H new ATOM 0 HA MET A 12 4.187 6.116 2.767 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.293 3.965 0.853 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.814 5.419 0.025 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.826 4.622 0.973 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.322 5.840 2.128 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.854 2.935 4.311 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.352 3.396 2.665 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.968 4.654 3.864 1.00 0.00 H new ATOM 213 N PHE A 13 2.055 7.008 0.581 1.00 0.00 N ATOM 214 CA PHE A 13 1.522 8.121 -0.187 1.00 0.00 C ATOM 215 C PHE A 13 1.420 9.381 0.673 1.00 0.00 C ATOM 216 O PHE A 13 1.892 10.447 0.277 1.00 0.00 O ATOM 217 CB PHE A 13 0.119 7.716 -0.646 1.00 0.00 C ATOM 218 CG PHE A 13 -0.087 7.798 -2.160 1.00 0.00 C ATOM 219 CD1 PHE A 13 -0.393 8.989 -2.741 1.00 0.00 C ATOM 220 CD2 PHE A 13 0.034 6.680 -2.924 1.00 0.00 C ATOM 221 CE1 PHE A 13 -0.585 9.065 -4.146 1.00 0.00 C ATOM 222 CE2 PHE A 13 -0.158 6.756 -4.329 1.00 0.00 C ATOM 223 CZ PHE A 13 -0.463 7.947 -4.910 1.00 0.00 C ATOM 0 H PHE A 13 1.406 6.233 0.716 1.00 0.00 H new ATOM 0 HA PHE A 13 2.178 8.341 -1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.080 6.696 -0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.612 8.358 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.490 9.877 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.276 5.734 -2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.828 10.011 -4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.062 5.868 -4.936 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.608 8.005 -5.979 1.00 0.00 H new ATOM 233 N PRO A 14 0.787 9.215 1.865 1.00 0.00 N ATOM 234 CA PRO A 14 0.618 10.327 2.785 1.00 0.00 C ATOM 235 C PRO A 14 1.934 10.659 3.491 1.00 0.00 C ATOM 236 O PRO A 14 2.121 11.777 3.969 1.00 0.00 O ATOM 237 CB PRO A 14 -0.474 9.883 3.743 1.00 0.00 C ATOM 238 CG PRO A 14 -0.551 8.370 3.615 1.00 0.00 C ATOM 239 CD PRO A 14 0.217 7.968 2.367 1.00 0.00 C ATOM 0 HA PRO A 14 0.335 11.251 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.239 10.177 4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.428 10.345 3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.125 7.890 4.496 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.589 8.045 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.996 7.241 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.440 7.507 1.629 1.00 0.00 H new ATOM 247 N SER A 15 2.812 9.668 3.535 1.00 0.00 N ATOM 248 CA SER A 15 4.105 9.841 4.174 1.00 0.00 C ATOM 249 C SER A 15 5.103 10.446 3.184 1.00 0.00 C ATOM 250 O SER A 15 6.074 11.083 3.587 1.00 0.00 O ATOM 251 CB SER A 15 4.635 8.511 4.714 1.00 0.00 C ATOM 252 OG SER A 15 5.659 8.700 5.686 1.00 0.00 O ATOM 0 H SER A 15 2.653 8.742 3.138 1.00 0.00 H new ATOM 0 HA SER A 15 3.981 10.522 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.814 7.947 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.024 7.914 3.889 1.00 0.00 H new ATOM 0 HG SER A 15 5.970 7.828 6.007 1.00 0.00 H new ATOM 258 N SER A 16 4.826 10.227 1.907 1.00 0.00 N ATOM 259 CA SER A 16 5.687 10.743 0.856 1.00 0.00 C ATOM 260 C SER A 16 5.408 12.230 0.633 1.00 0.00 C ATOM 261 O SER A 16 6.247 12.950 0.095 1.00 0.00 O ATOM 262 CB SER A 16 5.493 9.965 -0.447 1.00 0.00 C ATOM 263 OG SER A 16 6.206 10.552 -1.531 1.00 0.00 O ATOM 0 H SER A 16 4.018 9.700 1.576 1.00 0.00 H new ATOM 0 HA SER A 16 6.723 10.618 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.827 8.937 -0.308 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.431 9.925 -0.691 1.00 0.00 H new ATOM 0 HG SER A 16 6.057 10.025 -2.344 1.00 0.00 H new ATOM 269 N GLU A 17 4.223 12.647 1.059 1.00 0.00 N ATOM 270 CA GLU A 17 3.822 14.036 0.913 1.00 0.00 C ATOM 271 C GLU A 17 4.135 14.816 2.191 1.00 0.00 C ATOM 272 O GLU A 17 4.278 16.037 2.158 1.00 0.00 O ATOM 273 CB GLU A 17 2.339 14.143 0.554 1.00 0.00 C ATOM 274 CG GLU A 17 2.054 15.427 -0.227 1.00 0.00 C ATOM 275 CD GLU A 17 1.110 15.158 -1.400 1.00 0.00 C ATOM 276 OE1 GLU A 17 -0.116 15.237 -1.238 1.00 0.00 O ATOM 277 OE2 GLU A 17 1.692 14.860 -2.512 1.00 0.00 O ATOM 0 H GLU A 17 3.529 12.047 1.505 1.00 0.00 H new ATOM 0 HA GLU A 17 4.393 14.475 0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.042 13.279 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.739 14.126 1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.612 16.170 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.989 15.847 -0.597 1.00 0.00 H new TER 285 GLU A 17