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 Single : A 1 ARG N :NH3+ 144:sc=-0.00228 (180deg=-0.294) 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 HE2:sc= -0.0352 K(o=-0.035,f=-2.1!) USER MOD Single : A 11 SER OG : rot -17:sc= 0.228 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 -18:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.088 -13.885 1.818 1.00 0.00 N ATOM 2 CA ARG A 1 -3.565 -13.211 0.642 1.00 0.00 C ATOM 3 C ARG A 1 -2.530 -12.160 1.049 1.00 0.00 C ATOM 4 O ARG A 1 -2.718 -11.447 2.034 1.00 0.00 O ATOM 5 CB ARG A 1 -4.686 -12.533 -0.149 1.00 0.00 C ATOM 6 CG ARG A 1 -5.413 -11.496 0.709 1.00 0.00 C ATOM 7 CD ARG A 1 -6.879 -11.883 0.912 1.00 0.00 C ATOM 8 NE ARG A 1 -7.736 -11.137 -0.036 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.079 -11.052 0.064 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.732 -11.668 1.072 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.745 -10.358 -0.840 1.00 0.00 N ATOM 0 H1 ARG A 1 -5.097 -14.096 1.678 1.00 0.00 H new ATOM 0 H2 ARG A 1 -3.567 -14.772 1.970 1.00 0.00 H new ATOM 0 H3 ARG A 1 -3.975 -13.270 2.649 1.00 0.00 H new ATOM 0 HA ARG A 1 -3.094 -13.964 0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -4.271 -12.051 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.395 -13.284 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.919 -11.409 1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -5.354 -10.518 0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -7.005 -12.955 0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.182 -11.667 1.936 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.283 -10.657 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -9.210 -12.203 1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -10.747 -11.598 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.244 -9.896 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.760 -10.284 -0.779 1.00 0.00 H new ATOM 26 N SER A 2 -1.460 -12.096 0.270 1.00 0.00 N ATOM 27 CA SER A 2 -0.395 -11.144 0.538 1.00 0.00 C ATOM 28 C SER A 2 -0.616 -9.869 -0.277 1.00 0.00 C ATOM 29 O SER A 2 0.257 -9.005 -0.335 1.00 0.00 O ATOM 30 CB SER A 2 0.975 -11.747 0.219 1.00 0.00 C ATOM 31 OG SER A 2 1.758 -11.943 1.393 1.00 0.00 O ATOM 0 H SER A 2 -1.308 -12.688 -0.547 1.00 0.00 H new ATOM 0 HA SER A 2 -0.416 -10.897 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.841 -12.701 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.509 -11.090 -0.468 1.00 0.00 H new ATOM 0 HG SER A 2 2.624 -12.331 1.148 1.00 0.00 H new ATOM 37 N LYS A 3 -1.790 -9.791 -0.887 1.00 0.00 N ATOM 38 CA LYS A 3 -2.138 -8.635 -1.697 1.00 0.00 C ATOM 39 C LYS A 3 -2.225 -7.398 -0.801 1.00 0.00 C ATOM 40 O LYS A 3 -2.100 -6.272 -1.278 1.00 0.00 O ATOM 41 CB LYS A 3 -3.413 -8.906 -2.498 1.00 0.00 C ATOM 42 CG LYS A 3 -3.713 -7.753 -3.457 1.00 0.00 C ATOM 43 CD LYS A 3 -5.221 -7.568 -3.639 1.00 0.00 C ATOM 44 CE LYS A 3 -5.531 -6.241 -4.334 1.00 0.00 C ATOM 45 NZ LYS A 3 -6.986 -6.106 -4.568 1.00 0.00 N ATOM 0 H LYS A 3 -2.512 -10.509 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.361 -8.440 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.303 -9.833 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.252 -9.045 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.274 -6.832 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.248 -7.949 -4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.624 -8.393 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.714 -7.598 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.177 -5.412 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.998 -6.187 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.179 -5.200 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.315 -6.887 -5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.488 -6.136 -3.658 1.00 0.00 H new ATOM 58 N ASP A 4 -2.440 -7.650 0.482 1.00 0.00 N ATOM 59 CA ASP A 4 -2.546 -6.571 1.450 1.00 0.00 C ATOM 60 C ASP A 4 -1.186 -5.885 1.593 1.00 0.00 C ATOM 61 O ASP A 4 -1.108 -4.738 2.030 1.00 0.00 O ATOM 62 CB ASP A 4 -2.956 -7.102 2.825 1.00 0.00 C ATOM 63 CG ASP A 4 -4.225 -6.477 3.407 1.00 0.00 C ATOM 64 OD1 ASP A 4 -5.179 -7.184 3.765 1.00 0.00 O ATOM 65 OD2 ASP A 4 -4.211 -5.189 3.489 1.00 0.00 O ATOM 0 H ASP A 4 -2.544 -8.586 0.874 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.303 -5.872 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.100 -8.180 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.135 -6.936 3.522 1.00 0.00 H new ATOM 71 N LEU A 5 -0.148 -6.618 1.218 1.00 0.00 N ATOM 72 CA LEU A 5 1.206 -6.095 1.299 1.00 0.00 C ATOM 73 C LEU A 5 1.333 -4.876 0.383 1.00 0.00 C ATOM 74 O LEU A 5 2.106 -3.962 0.663 1.00 0.00 O ATOM 75 CB LEU A 5 2.225 -7.197 1.002 1.00 0.00 C ATOM 76 CG LEU A 5 3.473 -7.211 1.887 1.00 0.00 C ATOM 77 CD1 LEU A 5 3.279 -8.134 3.093 1.00 0.00 C ATOM 78 CD2 LEU A 5 4.715 -7.583 1.077 1.00 0.00 C ATOM 0 H LEU A 5 -0.217 -7.570 0.857 1.00 0.00 H new ATOM 0 HA LEU A 5 1.424 -5.757 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.726 -8.161 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.541 -7.102 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 5 3.629 -6.204 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.180 -8.126 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.434 -7.785 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.085 -9.149 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.588 -7.586 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.583 -8.574 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.861 -6.855 0.279 1.00 0.00 H new ATOM 90 N ARG A 6 0.562 -4.903 -0.695 1.00 0.00 N ATOM 91 CA ARG A 6 0.579 -3.811 -1.654 1.00 0.00 C ATOM 92 C ARG A 6 -0.171 -2.602 -1.095 1.00 0.00 C ATOM 93 O ARG A 6 0.032 -1.476 -1.549 1.00 0.00 O ATOM 94 CB ARG A 6 -0.061 -4.233 -2.978 1.00 0.00 C ATOM 95 CG ARG A 6 0.700 -3.645 -4.167 1.00 0.00 C ATOM 96 CD ARG A 6 0.824 -4.668 -5.299 1.00 0.00 C ATOM 97 NE ARG A 6 -0.498 -4.885 -5.931 1.00 0.00 N ATOM 98 CZ ARG A 6 -0.801 -5.950 -6.703 1.00 0.00 C ATOM 99 NH1 ARG A 6 0.121 -6.906 -6.944 1.00 0.00 N ATOM 100 NH2 ARG A 6 -2.014 -6.043 -7.217 1.00 0.00 N ATOM 0 H ARG A 6 -0.078 -5.663 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 6 1.620 -3.544 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.072 -5.321 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.099 -3.901 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.184 -2.756 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.693 -3.329 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.539 -4.315 -6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.209 -5.610 -4.909 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.224 -4.186 -5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.055 -6.827 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.116 -7.708 -7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.705 -5.317 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.260 -6.841 -7.803 1.00 0.00 H new ATOM 114 N HIS A 7 -1.023 -2.873 -0.117 1.00 0.00 N ATOM 115 CA HIS A 7 -1.804 -1.820 0.509 1.00 0.00 C ATOM 116 C HIS A 7 -0.911 -1.009 1.451 1.00 0.00 C ATOM 117 O HIS A 7 -1.216 0.140 1.764 1.00 0.00 O ATOM 118 CB HIS A 7 -3.034 -2.400 1.211 1.00 0.00 C ATOM 119 CG HIS A 7 -4.215 -1.460 1.257 1.00 0.00 C ATOM 120 ND1 HIS A 7 -4.081 -0.098 1.462 1.00 0.00 N ATOM 121 CD2 HIS A 7 -5.551 -1.701 1.124 1.00 0.00 C ATOM 122 CE1 HIS A 7 -5.288 0.447 1.450 1.00 0.00 C ATOM 123 NE2 HIS A 7 -6.198 -0.548 1.241 1.00 0.00 N ATOM 0 H HIS A 7 -1.189 -3.807 0.257 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.181 -1.139 -0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.332 -3.317 0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.762 -2.675 2.230 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -3.202 0.401 1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.005 -2.666 0.953 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.513 1.495 1.582 1.00 0.00 H new ATOM 131 N ALA A 8 0.174 -1.640 1.875 1.00 0.00 N ATOM 132 CA ALA A 8 1.113 -0.992 2.774 1.00 0.00 C ATOM 133 C ALA A 8 1.805 0.158 2.039 1.00 0.00 C ATOM 134 O ALA A 8 2.184 1.153 2.654 1.00 0.00 O ATOM 135 CB ALA A 8 2.107 -2.026 3.306 1.00 0.00 C ATOM 0 H ALA A 8 0.424 -2.593 1.612 1.00 0.00 H new ATOM 0 HA ALA A 8 0.592 -0.569 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.812 -1.540 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.568 -2.805 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.651 -2.471 2.472 1.00 0.00 H new ATOM 141 N PHE A 9 1.947 -0.017 0.733 1.00 0.00 N ATOM 142 CA PHE A 9 2.586 0.994 -0.092 1.00 0.00 C ATOM 143 C PHE A 9 1.758 2.280 -0.123 1.00 0.00 C ATOM 144 O PHE A 9 2.291 3.359 -0.377 1.00 0.00 O ATOM 145 CB PHE A 9 2.676 0.425 -1.508 1.00 0.00 C ATOM 146 CG PHE A 9 4.048 -0.155 -1.861 1.00 0.00 C ATOM 147 CD1 PHE A 9 4.416 -1.372 -1.378 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.897 0.546 -2.658 1.00 0.00 C ATOM 149 CE1 PHE A 9 5.689 -1.910 -1.704 1.00 0.00 C ATOM 150 CE2 PHE A 9 6.170 0.008 -2.985 1.00 0.00 C ATOM 151 CZ PHE A 9 6.539 -1.208 -2.501 1.00 0.00 C ATOM 0 H PHE A 9 1.630 -0.844 0.226 1.00 0.00 H new ATOM 0 HA PHE A 9 3.569 1.236 0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.923 -0.355 -1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.432 1.212 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.740 -1.929 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.604 1.512 -3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.982 -2.876 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.845 0.565 -3.618 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.507 -1.617 -2.749 1.00 0.00 H new ATOM 161 N ARG A 10 0.469 2.123 0.138 1.00 0.00 N ATOM 162 CA ARG A 10 -0.438 3.257 0.143 1.00 0.00 C ATOM 163 C ARG A 10 -0.166 4.150 1.357 1.00 0.00 C ATOM 164 O ARG A 10 -0.492 5.335 1.345 1.00 0.00 O ATOM 165 CB ARG A 10 -1.897 2.797 0.173 1.00 0.00 C ATOM 166 CG ARG A 10 -2.341 2.295 -1.202 1.00 0.00 C ATOM 167 CD ARG A 10 -3.866 2.207 -1.287 1.00 0.00 C ATOM 168 NE ARG A 10 -4.297 2.246 -2.703 1.00 0.00 N ATOM 169 CZ ARG A 10 -4.245 3.349 -3.480 1.00 0.00 C ATOM 170 NH1 ARG A 10 -3.779 4.515 -2.983 1.00 0.00 N ATOM 171 NH2 ARG A 10 -4.657 3.270 -4.731 1.00 0.00 N ATOM 0 H ARG A 10 0.031 1.226 0.348 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.267 3.822 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.017 2.003 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.536 3.622 0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.968 2.966 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.905 1.314 -1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.212 1.286 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.317 3.033 -0.738 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.656 1.386 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.463 4.567 -2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.743 5.344 -3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.008 2.385 -5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.625 4.094 -5.332 1.00 0.00 H new ATOM 185 N SER A 11 0.427 3.543 2.375 1.00 0.00 N ATOM 186 CA SER A 11 0.745 4.267 3.594 1.00 0.00 C ATOM 187 C SER A 11 1.968 5.159 3.369 1.00 0.00 C ATOM 188 O SER A 11 2.240 6.059 4.162 1.00 0.00 O ATOM 189 CB SER A 11 0.999 3.305 4.756 1.00 0.00 C ATOM 190 OG SER A 11 1.524 3.974 5.898 1.00 0.00 O ATOM 0 H SER A 11 0.695 2.559 2.381 1.00 0.00 H new ATOM 0 HA SER A 11 -0.110 4.891 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.067 2.807 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.696 2.529 4.438 1.00 0.00 H new ATOM 0 HG SER A 11 1.871 4.851 5.632 1.00 0.00 H new ATOM 196 N MET A 12 2.673 4.879 2.282 1.00 0.00 N ATOM 197 CA MET A 12 3.860 5.644 1.942 1.00 0.00 C ATOM 198 C MET A 12 3.498 6.879 1.114 1.00 0.00 C ATOM 199 O MET A 12 4.319 7.779 0.941 1.00 0.00 O ATOM 200 CB MET A 12 4.826 4.764 1.148 1.00 0.00 C ATOM 201 CG MET A 12 6.127 4.541 1.922 1.00 0.00 C ATOM 202 SD MET A 12 6.716 2.875 1.663 1.00 0.00 S ATOM 203 CE MET A 12 7.465 3.059 0.054 1.00 0.00 C ATOM 0 H MET A 12 2.444 4.133 1.626 1.00 0.00 H new ATOM 0 HA MET A 12 4.332 5.974 2.867 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.357 3.804 0.934 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.045 5.232 0.188 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.881 5.257 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.961 4.716 2.985 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.886 2.105 -0.263 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.710 3.379 -0.664 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.257 3.806 0.105 1.00 0.00 H new ATOM 213 N PHE A 13 2.267 6.883 0.624 1.00 0.00 N ATOM 214 CA PHE A 13 1.785 7.993 -0.182 1.00 0.00 C ATOM 215 C PHE A 13 1.716 9.280 0.643 1.00 0.00 C ATOM 216 O PHE A 13 2.230 10.316 0.227 1.00 0.00 O ATOM 217 CB PHE A 13 0.376 7.626 -0.652 1.00 0.00 C ATOM 218 CG PHE A 13 0.196 7.674 -2.171 1.00 0.00 C ATOM 219 CD1 PHE A 13 0.944 6.866 -2.971 1.00 0.00 C ATOM 220 CD2 PHE A 13 -0.713 8.522 -2.722 1.00 0.00 C ATOM 221 CE1 PHE A 13 0.776 6.911 -4.380 1.00 0.00 C ATOM 222 CE2 PHE A 13 -0.881 8.566 -4.130 1.00 0.00 C ATOM 223 CZ PHE A 13 -0.132 7.760 -4.930 1.00 0.00 C ATOM 0 H PHE A 13 1.588 6.135 0.769 1.00 0.00 H new ATOM 0 HA PHE A 13 2.461 8.166 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.136 6.623 -0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.339 8.306 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.665 6.191 -2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.307 9.162 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.370 6.270 -5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.604 9.239 -4.567 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.259 7.795 -6.002 1.00 0.00 H new ATOM 233 N PRO A 14 1.059 9.168 1.829 1.00 0.00 N ATOM 234 CA PRO A 14 0.915 10.310 2.716 1.00 0.00 C ATOM 235 C PRO A 14 2.231 10.615 3.434 1.00 0.00 C ATOM 236 O PRO A 14 2.450 11.737 3.886 1.00 0.00 O ATOM 237 CB PRO A 14 -0.207 9.929 3.667 1.00 0.00 C ATOM 238 CG PRO A 14 -0.334 8.417 3.579 1.00 0.00 C ATOM 239 CD PRO A 14 0.437 7.955 2.354 1.00 0.00 C ATOM 0 HA PRO A 14 0.672 11.230 2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.021 10.243 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.140 10.416 3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.063 7.948 4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.382 8.126 3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.186 7.207 2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.225 7.499 1.618 1.00 0.00 H new ATOM 247 N SER A 15 3.073 9.595 3.517 1.00 0.00 N ATOM 248 CA SER A 15 4.361 9.739 4.173 1.00 0.00 C ATOM 249 C SER A 15 5.394 10.283 3.184 1.00 0.00 C ATOM 250 O SER A 15 6.382 10.896 3.586 1.00 0.00 O ATOM 251 CB SER A 15 4.836 8.407 4.757 1.00 0.00 C ATOM 252 OG SER A 15 6.188 8.470 5.201 1.00 0.00 O ATOM 0 H SER A 15 2.888 8.665 3.141 1.00 0.00 H new ATOM 0 HA SER A 15 4.247 10.445 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.193 8.127 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.738 7.625 4.004 1.00 0.00 H new ATOM 0 HG SER A 15 6.453 7.601 5.568 1.00 0.00 H new ATOM 258 N SER A 16 5.131 10.039 1.909 1.00 0.00 N ATOM 259 CA SER A 16 6.025 10.495 0.858 1.00 0.00 C ATOM 260 C SER A 16 5.763 11.971 0.554 1.00 0.00 C ATOM 261 O SER A 16 6.608 12.648 -0.029 1.00 0.00 O ATOM 262 CB SER A 16 5.861 9.654 -0.409 1.00 0.00 C ATOM 263 OG SER A 16 4.545 9.750 -0.947 1.00 0.00 O ATOM 0 H SER A 16 4.310 9.531 1.579 1.00 0.00 H new ATOM 0 HA SER A 16 7.051 10.379 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.583 9.981 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.085 8.611 -0.184 1.00 0.00 H new ATOM 0 HG SER A 16 3.937 10.100 -0.263 1.00 0.00 H new ATOM 269 N GLU A 17 4.587 12.428 0.962 1.00 0.00 N ATOM 270 CA GLU A 17 4.204 13.811 0.740 1.00 0.00 C ATOM 271 C GLU A 17 4.915 14.726 1.738 1.00 0.00 C ATOM 272 O GLU A 17 4.359 15.738 2.164 1.00 0.00 O ATOM 273 CB GLU A 17 2.685 13.980 0.827 1.00 0.00 C ATOM 274 CG GLU A 17 2.145 14.721 -0.397 1.00 0.00 C ATOM 275 CD GLU A 17 1.795 13.743 -1.520 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.439 13.760 -2.580 1.00 0.00 O ATOM 277 OE2 GLU A 17 0.816 12.944 -1.262 1.00 0.00 O ATOM 0 H GLU A 17 3.888 11.864 1.445 1.00 0.00 H new ATOM 0 HA GLU A 17 4.512 14.095 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.210 13.002 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.428 14.530 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.260 15.293 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.888 15.436 -0.751 1.00 0.00 H new TER 285 GLU A 17