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+ -135:sc= 0.103 (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 X(o=0,f=-0.081) USER MOD Single : A 11 SER OG : rot -11:sc= 0.203 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 81:sc= 0.218 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -5.590 -12.649 0.795 1.00 0.00 N ATOM 2 CA ARG A 1 -4.347 -13.025 0.146 1.00 0.00 C ATOM 3 C ARG A 1 -3.231 -12.049 0.526 1.00 0.00 C ATOM 4 O ARG A 1 -3.415 -11.200 1.398 1.00 0.00 O ATOM 5 CB ARG A 1 -4.504 -13.042 -1.377 1.00 0.00 C ATOM 6 CG ARG A 1 -3.752 -14.224 -1.992 1.00 0.00 C ATOM 7 CD ARG A 1 -2.865 -13.765 -3.153 1.00 0.00 C ATOM 8 NE ARG A 1 -3.074 -14.642 -4.326 1.00 0.00 N ATOM 9 CZ ARG A 1 -2.223 -14.723 -5.371 1.00 0.00 C ATOM 10 NH1 ARG A 1 -1.097 -13.978 -5.398 1.00 0.00 N ATOM 11 NH2 ARG A 1 -2.509 -15.540 -6.368 1.00 0.00 N ATOM 0 H1 ARG A 1 -6.043 -13.496 1.195 1.00 0.00 H new ATOM 0 H2 ARG A 1 -5.392 -11.969 1.557 1.00 0.00 H new ATOM 0 H3 ARG A 1 -6.227 -12.212 0.099 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.087 -14.028 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -5.561 -13.104 -1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -4.127 -12.109 -1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -3.140 -14.706 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.465 -14.969 -2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -3.099 -12.733 -3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -1.817 -13.789 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 1 -3.913 -15.221 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -0.884 -13.348 -4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -0.460 -14.046 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -3.362 -16.098 -6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -1.877 -15.613 -7.165 1.00 0.00 H new ATOM 26 N SER A 2 -2.100 -12.202 -0.146 1.00 0.00 N ATOM 27 CA SER A 2 -0.956 -11.344 0.110 1.00 0.00 C ATOM 28 C SER A 2 -1.067 -10.062 -0.717 1.00 0.00 C ATOM 29 O SER A 2 -0.127 -9.269 -0.769 1.00 0.00 O ATOM 30 CB SER A 2 0.355 -12.067 -0.204 1.00 0.00 C ATOM 31 OG SER A 2 1.178 -12.207 0.952 1.00 0.00 O ATOM 0 H SER A 2 -1.951 -12.907 -0.868 1.00 0.00 H new ATOM 0 HA SER A 2 -0.953 -11.085 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.136 -13.053 -0.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.898 -11.516 -0.971 1.00 0.00 H new ATOM 0 HG SER A 2 2.004 -12.675 0.710 1.00 0.00 H new ATOM 37 N LYS A 3 -2.222 -9.899 -1.345 1.00 0.00 N ATOM 38 CA LYS A 3 -2.468 -8.726 -2.167 1.00 0.00 C ATOM 39 C LYS A 3 -2.555 -7.489 -1.271 1.00 0.00 C ATOM 40 O LYS A 3 -2.455 -6.362 -1.753 1.00 0.00 O ATOM 41 CB LYS A 3 -3.703 -8.938 -3.045 1.00 0.00 C ATOM 42 CG LYS A 3 -3.344 -8.839 -4.530 1.00 0.00 C ATOM 43 CD LYS A 3 -3.650 -7.444 -5.077 1.00 0.00 C ATOM 44 CE LYS A 3 -3.350 -7.364 -6.575 1.00 0.00 C ATOM 45 NZ LYS A 3 -2.761 -6.050 -6.916 1.00 0.00 N ATOM 0 H LYS A 3 -2.998 -10.560 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.639 -8.562 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.138 -9.915 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.460 -8.193 -2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.286 -9.063 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.904 -9.585 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.698 -7.202 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.056 -6.702 -4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.663 -8.162 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.267 -7.517 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.563 -6.012 -7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.430 -5.294 -6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.875 -5.919 -6.387 1.00 0.00 H new ATOM 58 N ASP A 4 -2.740 -7.741 0.016 1.00 0.00 N ATOM 59 CA ASP A 4 -2.841 -6.662 0.983 1.00 0.00 C ATOM 60 C ASP A 4 -1.492 -5.948 1.089 1.00 0.00 C ATOM 61 O ASP A 4 -1.425 -4.801 1.525 1.00 0.00 O ATOM 62 CB ASP A 4 -3.202 -7.198 2.371 1.00 0.00 C ATOM 63 CG ASP A 4 -4.474 -6.607 2.981 1.00 0.00 C ATOM 64 OD1 ASP A 4 -5.587 -7.097 2.738 1.00 0.00 O ATOM 65 OD2 ASP A 4 -4.287 -5.586 3.749 1.00 0.00 O ATOM 0 H ASP A 4 -2.823 -8.677 0.412 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.621 -5.979 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.316 -8.280 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.369 -7.004 3.047 1.00 0.00 H new ATOM 71 N LEU A 5 -0.450 -6.658 0.679 1.00 0.00 N ATOM 72 CA LEU A 5 0.894 -6.107 0.722 1.00 0.00 C ATOM 73 C LEU A 5 0.969 -4.887 -0.199 1.00 0.00 C ATOM 74 O LEU A 5 1.731 -3.957 0.059 1.00 0.00 O ATOM 75 CB LEU A 5 1.926 -7.188 0.397 1.00 0.00 C ATOM 76 CG LEU A 5 3.150 -7.243 1.315 1.00 0.00 C ATOM 77 CD1 LEU A 5 3.996 -5.975 1.177 1.00 0.00 C ATOM 78 CD2 LEU A 5 2.737 -7.504 2.764 1.00 0.00 C ATOM 0 H LEU A 5 -0.510 -7.609 0.316 1.00 0.00 H new ATOM 0 HA LEU A 5 1.134 -5.763 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.429 -8.158 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.270 -7.038 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 5 3.774 -8.081 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.859 -6.040 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.336 -5.875 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.396 -5.106 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.625 -7.538 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.080 -6.704 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.211 -8.456 2.826 1.00 0.00 H new ATOM 90 N ARG A 6 0.168 -4.931 -1.254 1.00 0.00 N ATOM 91 CA ARG A 6 0.134 -3.842 -2.214 1.00 0.00 C ATOM 92 C ARG A 6 -0.624 -2.646 -1.634 1.00 0.00 C ATOM 93 O ARG A 6 -0.457 -1.518 -2.095 1.00 0.00 O ATOM 94 CB ARG A 6 -0.535 -4.278 -3.519 1.00 0.00 C ATOM 95 CG ARG A 6 0.338 -5.282 -4.275 1.00 0.00 C ATOM 96 CD ARG A 6 1.032 -4.617 -5.466 1.00 0.00 C ATOM 97 NE ARG A 6 2.109 -5.493 -5.977 1.00 0.00 N ATOM 98 CZ ARG A 6 3.335 -5.590 -5.419 1.00 0.00 C ATOM 99 NH1 ARG A 6 3.649 -4.865 -4.325 1.00 0.00 N ATOM 100 NH2 ARG A 6 4.221 -6.405 -5.961 1.00 0.00 N ATOM 0 H ARG A 6 -0.463 -5.705 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 6 1.164 -3.555 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.505 -4.725 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.719 -3.406 -4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.086 -5.700 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.276 -6.112 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.307 -4.419 -6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.446 -3.655 -5.165 1.00 0.00 H new ATOM 0 HE ARG A 6 1.913 -6.059 -6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.958 -4.238 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.577 -4.944 -3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.975 -6.949 -6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.152 -6.491 -5.553 1.00 0.00 H new ATOM 114 N HIS A 7 -1.442 -2.934 -0.633 1.00 0.00 N ATOM 115 CA HIS A 7 -2.226 -1.897 0.015 1.00 0.00 C ATOM 116 C HIS A 7 -1.324 -1.067 0.931 1.00 0.00 C ATOM 117 O HIS A 7 -1.644 0.076 1.253 1.00 0.00 O ATOM 118 CB HIS A 7 -3.423 -2.501 0.752 1.00 0.00 C ATOM 119 CG HIS A 7 -4.762 -2.096 0.184 1.00 0.00 C ATOM 120 ND1 HIS A 7 -5.193 -0.780 0.145 1.00 0.00 N ATOM 121 CD2 HIS A 7 -5.760 -2.843 -0.367 1.00 0.00 C ATOM 122 CE1 HIS A 7 -6.398 -0.750 -0.406 1.00 0.00 C ATOM 123 NE2 HIS A 7 -6.748 -2.030 -0.722 1.00 0.00 N ATOM 0 H HIS A 7 -1.579 -3.871 -0.255 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.638 -1.225 -0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.342 -3.588 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.379 -2.204 1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.749 -3.916 -0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.997 0.132 -0.575 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -7.624 -2.316 -1.159 1.00 0.00 H new ATOM 131 N ALA A 8 -0.214 -1.674 1.323 1.00 0.00 N ATOM 132 CA ALA A 8 0.737 -1.006 2.194 1.00 0.00 C ATOM 133 C ALA A 8 1.384 0.158 1.440 1.00 0.00 C ATOM 134 O ALA A 8 1.760 1.161 2.043 1.00 0.00 O ATOM 135 CB ALA A 8 1.767 -2.018 2.698 1.00 0.00 C ATOM 0 H ALA A 8 0.048 -2.622 1.053 1.00 0.00 H new ATOM 0 HA ALA A 8 0.232 -0.593 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.480 -1.516 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.260 -2.808 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.296 -2.452 1.850 1.00 0.00 H new ATOM 141 N PHE A 9 1.493 -0.016 0.131 1.00 0.00 N ATOM 142 CA PHE A 9 2.087 1.008 -0.713 1.00 0.00 C ATOM 143 C PHE A 9 1.233 2.277 -0.720 1.00 0.00 C ATOM 144 O PHE A 9 1.736 3.366 -0.990 1.00 0.00 O ATOM 145 CB PHE A 9 2.146 0.439 -2.132 1.00 0.00 C ATOM 146 CG PHE A 9 3.519 -0.111 -2.525 1.00 0.00 C ATOM 147 CD1 PHE A 9 3.943 -1.303 -2.024 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.314 0.591 -3.376 1.00 0.00 C ATOM 149 CE1 PHE A 9 5.217 -1.813 -2.390 1.00 0.00 C ATOM 150 CE2 PHE A 9 5.588 0.080 -3.741 1.00 0.00 C ATOM 151 CZ PHE A 9 6.012 -1.111 -3.240 1.00 0.00 C ATOM 0 H PHE A 9 1.180 -0.850 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 9 3.076 1.271 -0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.407 -0.357 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.863 1.220 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.311 -1.861 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.977 1.537 -3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.554 -2.759 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.220 0.637 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.981 -1.499 -3.518 1.00 0.00 H new ATOM 161 N ARG A 10 -0.044 2.093 -0.419 1.00 0.00 N ATOM 162 CA ARG A 10 -0.973 3.211 -0.387 1.00 0.00 C ATOM 163 C ARG A 10 -0.683 4.108 0.818 1.00 0.00 C ATOM 164 O ARG A 10 -1.032 5.288 0.815 1.00 0.00 O ATOM 165 CB ARG A 10 -2.421 2.722 -0.313 1.00 0.00 C ATOM 166 CG ARG A 10 -3.399 3.849 -0.649 1.00 0.00 C ATOM 167 CD ARG A 10 -4.269 4.198 0.559 1.00 0.00 C ATOM 168 NE ARG A 10 -4.504 5.659 0.610 1.00 0.00 N ATOM 169 CZ ARG A 10 -4.853 6.331 1.727 1.00 0.00 C ATOM 170 NH1 ARG A 10 -5.008 5.679 2.898 1.00 0.00 N ATOM 171 NH2 ARG A 10 -5.038 7.637 1.657 1.00 0.00 N ATOM 0 H ARG A 10 -0.457 1.188 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.840 3.779 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.564 1.893 -1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.629 2.341 0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.846 4.732 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.033 3.549 -1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.221 3.670 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.781 3.868 1.476 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.395 6.191 -0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.861 4.671 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.272 6.194 3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.917 8.122 0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.302 8.160 2.492 1.00 0.00 H new ATOM 185 N SER A 11 -0.047 3.515 1.817 1.00 0.00 N ATOM 186 CA SER A 11 0.293 4.245 3.026 1.00 0.00 C ATOM 187 C SER A 11 1.490 5.162 2.763 1.00 0.00 C ATOM 188 O SER A 11 1.768 6.067 3.548 1.00 0.00 O ATOM 189 CB SER A 11 0.600 3.290 4.180 1.00 0.00 C ATOM 190 OG SER A 11 1.139 3.971 5.309 1.00 0.00 O ATOM 0 H SER A 11 0.242 2.537 1.814 1.00 0.00 H new ATOM 0 HA SER A 11 -0.567 4.851 3.312 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.312 2.770 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.306 2.531 3.844 1.00 0.00 H new ATOM 0 HG SER A 11 1.374 4.888 5.056 1.00 0.00 H new ATOM 196 N MET A 12 2.168 4.895 1.657 1.00 0.00 N ATOM 197 CA MET A 12 3.329 5.684 1.281 1.00 0.00 C ATOM 198 C MET A 12 2.918 6.910 0.464 1.00 0.00 C ATOM 199 O MET A 12 3.716 7.825 0.267 1.00 0.00 O ATOM 200 CB MET A 12 4.288 4.820 0.459 1.00 0.00 C ATOM 201 CG MET A 12 5.589 4.567 1.223 1.00 0.00 C ATOM 202 SD MET A 12 6.972 4.583 0.094 1.00 0.00 S ATOM 203 CE MET A 12 8.311 4.824 1.250 1.00 0.00 C ATOM 0 H MET A 12 1.936 4.143 1.008 1.00 0.00 H new ATOM 0 HA MET A 12 3.823 6.026 2.191 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.812 3.869 0.219 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.508 5.314 -0.487 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.725 5.331 1.989 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.539 3.607 1.736 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.257 4.858 0.709 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.165 5.762 1.785 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.330 3.999 1.962 1.00 0.00 H new ATOM 213 N PHE A 13 1.672 6.889 0.011 1.00 0.00 N ATOM 214 CA PHE A 13 1.145 7.988 -0.780 1.00 0.00 C ATOM 215 C PHE A 13 1.076 9.274 0.046 1.00 0.00 C ATOM 216 O PHE A 13 1.556 10.321 -0.386 1.00 0.00 O ATOM 217 CB PHE A 13 -0.269 7.593 -1.209 1.00 0.00 C ATOM 218 CG PHE A 13 -0.497 7.637 -2.721 1.00 0.00 C ATOM 219 CD1 PHE A 13 0.015 6.657 -3.513 1.00 0.00 C ATOM 220 CD2 PHE A 13 -1.211 8.654 -3.272 1.00 0.00 C ATOM 221 CE1 PHE A 13 -0.196 6.696 -4.917 1.00 0.00 C ATOM 222 CE2 PHE A 13 -1.422 8.694 -4.676 1.00 0.00 C ATOM 223 CZ PHE A 13 -0.910 7.714 -5.469 1.00 0.00 C ATOM 0 H PHE A 13 1.013 6.128 0.177 1.00 0.00 H new ATOM 0 HA PHE A 13 1.792 8.174 -1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.478 6.585 -0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.984 8.259 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.582 5.849 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.618 9.431 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.210 5.918 -5.546 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.989 9.502 -5.114 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.070 7.744 -6.537 1.00 0.00 H new ATOM 233 N PRO A 14 0.457 9.150 1.251 1.00 0.00 N ATOM 234 CA PRO A 14 0.317 10.289 2.141 1.00 0.00 C ATOM 235 C PRO A 14 1.648 10.621 2.820 1.00 0.00 C ATOM 236 O PRO A 14 1.858 11.749 3.265 1.00 0.00 O ATOM 237 CB PRO A 14 -0.769 9.888 3.127 1.00 0.00 C ATOM 238 CG PRO A 14 -0.869 8.373 3.042 1.00 0.00 C ATOM 239 CD PRO A 14 -0.124 7.926 1.795 1.00 0.00 C ATOM 0 HA PRO A 14 0.040 11.202 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.516 10.207 4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.720 10.357 2.873 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.438 7.912 3.930 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.912 8.061 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.647 7.195 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.797 7.455 1.079 1.00 0.00 H new ATOM 247 N SER A 15 2.511 9.618 2.879 1.00 0.00 N ATOM 248 CA SER A 15 3.816 9.789 3.496 1.00 0.00 C ATOM 249 C SER A 15 4.808 10.353 2.475 1.00 0.00 C ATOM 250 O SER A 15 5.795 10.985 2.847 1.00 0.00 O ATOM 251 CB SER A 15 4.334 8.468 4.065 1.00 0.00 C ATOM 252 OG SER A 15 5.725 8.524 4.368 1.00 0.00 O ATOM 0 H SER A 15 2.333 8.684 2.510 1.00 0.00 H new ATOM 0 HA SER A 15 3.714 10.493 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.776 8.219 4.968 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.152 7.668 3.347 1.00 0.00 H new ATOM 0 HG SER A 15 6.016 7.661 4.730 1.00 0.00 H new ATOM 258 N SER A 16 4.510 10.102 1.208 1.00 0.00 N ATOM 259 CA SER A 16 5.364 10.575 0.131 1.00 0.00 C ATOM 260 C SER A 16 5.343 12.104 0.082 1.00 0.00 C ATOM 261 O SER A 16 6.182 12.718 -0.574 1.00 0.00 O ATOM 262 CB SER A 16 4.926 9.994 -1.214 1.00 0.00 C ATOM 263 OG SER A 16 5.692 8.848 -1.576 1.00 0.00 O ATOM 0 H SER A 16 3.690 9.578 0.903 1.00 0.00 H new ATOM 0 HA SER A 16 6.382 10.238 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.871 9.724 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.025 10.756 -1.987 1.00 0.00 H new ATOM 0 HG SER A 16 5.343 8.060 -1.109 1.00 0.00 H new ATOM 269 N GLU A 17 4.374 12.674 0.784 1.00 0.00 N ATOM 270 CA GLU A 17 4.234 14.120 0.829 1.00 0.00 C ATOM 271 C GLU A 17 5.158 14.712 1.894 1.00 0.00 C ATOM 272 O GLU A 17 5.244 14.190 3.005 1.00 0.00 O ATOM 273 CB GLU A 17 2.779 14.522 1.080 1.00 0.00 C ATOM 274 CG GLU A 17 2.183 15.220 -0.144 1.00 0.00 C ATOM 275 CD GLU A 17 0.666 15.033 -0.196 1.00 0.00 C ATOM 276 OE1 GLU A 17 0.040 14.742 0.834 1.00 0.00 O ATOM 277 OE2 GLU A 17 0.135 15.203 -1.360 1.00 0.00 O ATOM 0 H GLU A 17 3.679 12.161 1.326 1.00 0.00 H new ATOM 0 HA GLU A 17 4.527 14.523 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.190 13.637 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.725 15.185 1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.421 16.283 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.634 14.819 -1.052 1.00 0.00 H new TER 285 GLU A 17