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+ 155:sc= -0.0128 (180deg=-0.982) 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 -19:sc= 0.221! 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 -3.613 -13.859 -0.035 1.00 0.00 N ATOM 2 CA ARG A 1 -3.914 -12.533 -0.546 1.00 0.00 C ATOM 3 C ARG A 1 -2.654 -11.665 -0.546 1.00 0.00 C ATOM 4 O ARG A 1 -2.482 -10.815 0.326 1.00 0.00 O ATOM 5 CB ARG A 1 -4.995 -11.850 0.295 1.00 0.00 C ATOM 6 CG ARG A 1 -4.568 -11.751 1.761 1.00 0.00 C ATOM 7 CD ARG A 1 -5.445 -12.638 2.648 1.00 0.00 C ATOM 8 NE ARG A 1 -4.915 -12.654 4.029 1.00 0.00 N ATOM 9 CZ ARG A 1 -3.842 -13.375 4.421 1.00 0.00 C ATOM 10 NH1 ARG A 1 -3.176 -14.147 3.535 1.00 0.00 N ATOM 11 NH2 ARG A 1 -3.455 -13.315 5.681 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.478 -14.285 0.355 1.00 0.00 H new ATOM 0 H2 ARG A 1 -3.252 -14.455 -0.807 1.00 0.00 H new ATOM 0 H3 ARG A 1 -2.894 -13.788 0.713 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.281 -12.647 -1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -5.191 -10.853 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.927 -12.411 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -3.524 -12.049 1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.637 -10.716 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.470 -12.267 2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -5.473 -13.652 2.249 1.00 0.00 H new ATOM 0 HE ARG A 1 -5.390 -12.085 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -3.482 -14.188 2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -2.367 -14.689 3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -3.964 -12.730 6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.647 -13.854 5.992 1.00 0.00 H new ATOM 26 N SER A 2 -1.807 -11.909 -1.534 1.00 0.00 N ATOM 27 CA SER A 2 -0.567 -11.161 -1.659 1.00 0.00 C ATOM 28 C SER A 2 -0.803 -9.889 -2.477 1.00 0.00 C ATOM 29 O SER A 2 0.146 -9.201 -2.848 1.00 0.00 O ATOM 30 CB SER A 2 0.528 -12.011 -2.305 1.00 0.00 C ATOM 31 OG SER A 2 1.600 -12.276 -1.404 1.00 0.00 O ATOM 0 H SER A 2 -1.954 -12.614 -2.256 1.00 0.00 H new ATOM 0 HA SER A 2 -0.232 -10.886 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.101 -12.954 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.913 -11.497 -3.186 1.00 0.00 H new ATOM 0 HG SER A 2 2.278 -12.823 -1.854 1.00 0.00 H new ATOM 37 N LYS A 3 -2.075 -9.617 -2.734 1.00 0.00 N ATOM 38 CA LYS A 3 -2.447 -8.441 -3.501 1.00 0.00 C ATOM 39 C LYS A 3 -2.476 -7.223 -2.577 1.00 0.00 C ATOM 40 O LYS A 3 -2.367 -6.086 -3.038 1.00 0.00 O ATOM 41 CB LYS A 3 -3.764 -8.681 -4.244 1.00 0.00 C ATOM 42 CG LYS A 3 -4.931 -8.804 -3.264 1.00 0.00 C ATOM 43 CD LYS A 3 -6.074 -9.619 -3.872 1.00 0.00 C ATOM 44 CE LYS A 3 -7.400 -9.309 -3.174 1.00 0.00 C ATOM 45 NZ LYS A 3 -7.791 -10.425 -2.283 1.00 0.00 N ATOM 0 H LYS A 3 -2.860 -10.191 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.704 -8.238 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.950 -7.860 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.689 -9.590 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.590 -9.279 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.291 -7.811 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.158 -9.397 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.853 -10.683 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.307 -8.390 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.178 -9.140 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.693 -10.198 -1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.900 -11.295 -2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.055 -10.567 -1.562 1.00 0.00 H new ATOM 58 N ASP A 4 -2.624 -7.499 -1.291 1.00 0.00 N ATOM 59 CA ASP A 4 -2.668 -6.439 -0.298 1.00 0.00 C ATOM 60 C ASP A 4 -1.293 -5.776 -0.203 1.00 0.00 C ATOM 61 O ASP A 4 -1.176 -4.640 0.254 1.00 0.00 O ATOM 62 CB ASP A 4 -3.022 -6.993 1.085 1.00 0.00 C ATOM 63 CG ASP A 4 -4.254 -6.366 1.738 1.00 0.00 C ATOM 64 OD1 ASP A 4 -4.831 -5.399 1.216 1.00 0.00 O ATOM 65 OD2 ASP A 4 -4.625 -6.917 2.843 1.00 0.00 O ATOM 0 H ASP A 4 -2.715 -8.442 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.429 -5.722 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.183 -8.068 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.167 -6.851 1.746 1.00 0.00 H new ATOM 71 N LEU A 5 -0.284 -6.514 -0.644 1.00 0.00 N ATOM 72 CA LEU A 5 1.079 -6.012 -0.615 1.00 0.00 C ATOM 73 C LEU A 5 1.182 -4.777 -1.513 1.00 0.00 C ATOM 74 O LEU A 5 1.982 -3.881 -1.252 1.00 0.00 O ATOM 75 CB LEU A 5 2.067 -7.122 -0.980 1.00 0.00 C ATOM 76 CG LEU A 5 2.800 -7.780 0.190 1.00 0.00 C ATOM 77 CD1 LEU A 5 3.342 -9.154 -0.205 1.00 0.00 C ATOM 78 CD2 LEU A 5 3.898 -6.864 0.734 1.00 0.00 C ATOM 0 H LEU A 5 -0.384 -7.456 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 5 1.348 -5.697 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.528 -7.896 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.810 -6.709 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 5 2.084 -7.937 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.859 -9.600 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.516 -9.798 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.039 -9.045 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.403 -7.356 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.619 -6.652 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.455 -5.930 1.080 1.00 0.00 H new ATOM 90 N ARG A 6 0.361 -4.772 -2.553 1.00 0.00 N ATOM 91 CA ARG A 6 0.350 -3.661 -3.491 1.00 0.00 C ATOM 92 C ARG A 6 -0.354 -2.452 -2.873 1.00 0.00 C ATOM 93 O ARG A 6 -0.153 -1.322 -3.314 1.00 0.00 O ATOM 94 CB ARG A 6 -0.359 -4.047 -4.792 1.00 0.00 C ATOM 95 CG ARG A 6 0.650 -4.283 -5.916 1.00 0.00 C ATOM 96 CD ARG A 6 0.833 -5.779 -6.185 1.00 0.00 C ATOM 97 NE ARG A 6 2.214 -6.047 -6.641 1.00 0.00 N ATOM 98 CZ ARG A 6 2.612 -7.204 -7.211 1.00 0.00 C ATOM 99 NH1 ARG A 6 1.735 -8.212 -7.400 1.00 0.00 N ATOM 100 NH2 ARG A 6 3.872 -7.334 -7.582 1.00 0.00 N ATOM 0 H ARG A 6 -0.301 -5.518 -2.767 1.00 0.00 H new ATOM 0 HA ARG A 6 1.385 -3.406 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.951 -4.949 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.052 -3.257 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.310 -3.786 -6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.608 -3.838 -5.648 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.624 -6.348 -5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.121 -6.110 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 6 2.910 -5.311 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.763 -8.103 -7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.044 -9.083 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.528 -6.567 -7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.189 -8.202 -8.014 1.00 0.00 H new ATOM 114 N HIS A 7 -1.163 -2.731 -1.863 1.00 0.00 N ATOM 115 CA HIS A 7 -1.898 -1.679 -1.180 1.00 0.00 C ATOM 116 C HIS A 7 -0.950 -0.901 -0.265 1.00 0.00 C ATOM 117 O HIS A 7 -1.223 0.245 0.086 1.00 0.00 O ATOM 118 CB HIS A 7 -3.103 -2.255 -0.434 1.00 0.00 C ATOM 119 CG HIS A 7 -4.265 -1.298 -0.313 1.00 0.00 C ATOM 120 ND1 HIS A 7 -5.520 -1.576 -0.824 1.00 0.00 N ATOM 121 CD2 HIS A 7 -4.349 -0.066 0.268 1.00 0.00 C ATOM 122 CE1 HIS A 7 -6.316 -0.549 -0.560 1.00 0.00 C ATOM 123 NE2 HIS A 7 -5.588 0.385 0.116 1.00 0.00 N ATOM 0 H HIS A 7 -1.326 -3.670 -1.500 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.299 -0.977 -1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.439 -3.155 -0.948 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.789 -2.557 0.565 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.544 0.454 0.767 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.358 -0.467 -0.832 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.938 1.283 0.450 1.00 0.00 H new ATOM 131 N ALA A 8 0.144 -1.556 0.094 1.00 0.00 N ATOM 132 CA ALA A 8 1.134 -0.941 0.961 1.00 0.00 C ATOM 133 C ALA A 8 1.814 0.209 0.216 1.00 0.00 C ATOM 134 O ALA A 8 2.244 1.184 0.832 1.00 0.00 O ATOM 135 CB ALA A 8 2.132 -2.001 1.431 1.00 0.00 C ATOM 0 H ALA A 8 0.367 -2.507 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 8 0.659 -0.524 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.874 -1.539 2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.603 -2.780 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.630 -2.440 0.567 1.00 0.00 H new ATOM 141 N PHE A 9 1.889 0.059 -1.098 1.00 0.00 N ATOM 142 CA PHE A 9 2.508 1.072 -1.934 1.00 0.00 C ATOM 143 C PHE A 9 1.641 2.331 -2.003 1.00 0.00 C ATOM 144 O PHE A 9 2.137 3.415 -2.307 1.00 0.00 O ATOM 145 CB PHE A 9 2.638 0.478 -3.338 1.00 0.00 C ATOM 146 CG PHE A 9 4.040 0.598 -3.937 1.00 0.00 C ATOM 147 CD1 PHE A 9 4.613 1.823 -4.086 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.713 -0.519 -4.323 1.00 0.00 C ATOM 149 CE1 PHE A 9 5.915 1.934 -4.644 1.00 0.00 C ATOM 150 CE2 PHE A 9 6.015 -0.408 -4.880 1.00 0.00 C ATOM 151 CZ PHE A 9 6.588 0.817 -5.028 1.00 0.00 C ATOM 0 H PHE A 9 1.531 -0.750 -1.605 1.00 0.00 H new ATOM 0 HA PHE A 9 3.477 1.353 -1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.358 -0.575 -3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.928 0.975 -3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.079 2.710 -3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.257 -1.491 -4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.370 2.906 -4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.550 -1.295 -5.186 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.578 0.902 -5.451 1.00 0.00 H new ATOM 161 N ARG A 10 0.361 2.145 -1.717 1.00 0.00 N ATOM 162 CA ARG A 10 -0.580 3.251 -1.744 1.00 0.00 C ATOM 163 C ARG A 10 -0.373 4.153 -0.526 1.00 0.00 C ATOM 164 O ARG A 10 -0.716 5.335 -0.558 1.00 0.00 O ATOM 165 CB ARG A 10 -2.025 2.746 -1.755 1.00 0.00 C ATOM 166 CG ARG A 10 -3.006 3.896 -1.990 1.00 0.00 C ATOM 167 CD ARG A 10 -4.318 3.384 -2.588 1.00 0.00 C ATOM 168 NE ARG A 10 -4.606 4.088 -3.857 1.00 0.00 N ATOM 169 CZ ARG A 10 -5.843 4.241 -4.374 1.00 0.00 C ATOM 170 NH1 ARG A 10 -6.920 3.740 -3.733 1.00 0.00 N ATOM 171 NH2 ARG A 10 -5.985 4.888 -5.515 1.00 0.00 N ATOM 0 H ARG A 10 -0.046 1.244 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.398 3.818 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.146 1.995 -2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.251 2.259 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.206 4.406 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.558 4.629 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.252 2.311 -2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.134 3.541 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.820 4.483 -4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.802 3.241 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.852 3.860 -4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.166 5.264 -5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.913 5.012 -5.919 1.00 0.00 H new ATOM 185 N SER A 11 0.187 3.564 0.520 1.00 0.00 N ATOM 186 CA SER A 11 0.443 4.300 1.746 1.00 0.00 C ATOM 187 C SER A 11 1.661 5.208 1.566 1.00 0.00 C ATOM 188 O SER A 11 1.885 6.117 2.363 1.00 0.00 O ATOM 189 CB SER A 11 0.660 3.348 2.924 1.00 0.00 C ATOM 190 OG SER A 11 1.149 4.028 4.077 1.00 0.00 O ATOM 0 H SER A 11 0.471 2.585 0.544 1.00 0.00 H new ATOM 0 HA SER A 11 -0.430 4.914 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.280 2.852 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.366 2.569 2.636 1.00 0.00 H new ATOM 0 HG SER A 11 1.536 4.888 3.810 1.00 0.00 H new ATOM 196 N MET A 12 2.417 4.929 0.514 1.00 0.00 N ATOM 197 CA MET A 12 3.606 5.709 0.219 1.00 0.00 C ATOM 198 C MET A 12 3.262 6.932 -0.635 1.00 0.00 C ATOM 199 O MET A 12 4.077 7.841 -0.781 1.00 0.00 O ATOM 200 CB MET A 12 4.619 4.837 -0.524 1.00 0.00 C ATOM 201 CG MET A 12 5.905 4.677 0.288 1.00 0.00 C ATOM 202 SD MET A 12 5.990 3.035 0.982 1.00 0.00 S ATOM 203 CE MET A 12 5.880 3.427 2.721 1.00 0.00 C ATOM 0 H MET A 12 2.229 4.173 -0.145 1.00 0.00 H new ATOM 0 HA MET A 12 4.033 6.054 1.161 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.185 3.857 -0.721 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.849 5.284 -1.491 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.771 4.857 -0.349 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.936 5.420 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.918 2.507 3.304 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.714 4.070 3.002 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.941 3.943 2.919 1.00 0.00 H new ATOM 213 N PHE A 13 2.053 6.914 -1.177 1.00 0.00 N ATOM 214 CA PHE A 13 1.591 8.010 -2.013 1.00 0.00 C ATOM 215 C PHE A 13 1.469 9.302 -1.204 1.00 0.00 C ATOM 216 O PHE A 13 1.986 10.343 -1.607 1.00 0.00 O ATOM 217 CB PHE A 13 0.209 7.618 -2.539 1.00 0.00 C ATOM 218 CG PHE A 13 0.091 7.650 -4.063 1.00 0.00 C ATOM 219 CD1 PHE A 13 0.972 6.952 -4.828 1.00 0.00 C ATOM 220 CD2 PHE A 13 -0.895 8.376 -4.655 1.00 0.00 C ATOM 221 CE1 PHE A 13 0.864 6.982 -6.244 1.00 0.00 C ATOM 222 CE2 PHE A 13 -1.003 8.406 -6.070 1.00 0.00 C ATOM 223 CZ PHE A 13 -0.122 7.708 -6.835 1.00 0.00 C ATOM 0 H PHE A 13 1.379 6.158 -1.054 1.00 0.00 H new ATOM 0 HA PHE A 13 2.299 8.186 -2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.031 6.615 -2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.535 8.291 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.755 6.374 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.596 8.930 -4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.565 6.428 -6.851 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.786 8.984 -6.539 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.205 7.730 -7.912 1.00 0.00 H new ATOM 233 N PRO A 14 0.763 9.191 -0.046 1.00 0.00 N ATOM 234 CA PRO A 14 0.567 10.338 0.823 1.00 0.00 C ATOM 235 C PRO A 14 1.847 10.669 1.594 1.00 0.00 C ATOM 236 O PRO A 14 2.031 11.800 2.044 1.00 0.00 O ATOM 237 CB PRO A 14 -0.589 9.952 1.731 1.00 0.00 C ATOM 238 CG PRO A 14 -0.692 8.437 1.651 1.00 0.00 C ATOM 239 CD PRO A 14 0.138 7.975 0.465 1.00 0.00 C ATOM 0 HA PRO A 14 0.335 11.248 0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.407 10.278 2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.516 10.424 1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.329 7.981 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.731 8.131 1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.886 7.242 0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.485 7.501 -0.294 1.00 0.00 H new ATOM 247 N SER A 15 2.699 9.663 1.722 1.00 0.00 N ATOM 248 CA SER A 15 3.956 9.831 2.431 1.00 0.00 C ATOM 249 C SER A 15 5.023 10.380 1.480 1.00 0.00 C ATOM 250 O SER A 15 5.984 11.011 1.918 1.00 0.00 O ATOM 251 CB SER A 15 4.424 8.511 3.047 1.00 0.00 C ATOM 252 OG SER A 15 3.974 8.359 4.390 1.00 0.00 O ATOM 0 H SER A 15 2.543 8.728 1.346 1.00 0.00 H new ATOM 0 HA SER A 15 3.798 10.542 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.056 7.680 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.513 8.465 3.022 1.00 0.00 H new ATOM 0 HG SER A 15 4.292 7.503 4.747 1.00 0.00 H new ATOM 258 N SER A 16 4.816 10.120 0.197 1.00 0.00 N ATOM 259 CA SER A 16 5.747 10.581 -0.819 1.00 0.00 C ATOM 260 C SER A 16 5.555 12.078 -1.064 1.00 0.00 C ATOM 261 O SER A 16 6.458 12.751 -1.558 1.00 0.00 O ATOM 262 CB SER A 16 5.570 9.801 -2.123 1.00 0.00 C ATOM 263 OG SER A 16 6.381 10.323 -3.171 1.00 0.00 O ATOM 0 H SER A 16 4.018 9.596 -0.162 1.00 0.00 H new ATOM 0 HA SER A 16 6.761 10.406 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.823 8.754 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.523 9.832 -2.425 1.00 0.00 H new ATOM 0 HG SER A 16 6.241 9.797 -3.986 1.00 0.00 H new ATOM 269 N GLU A 17 4.371 12.558 -0.710 1.00 0.00 N ATOM 270 CA GLU A 17 4.049 13.963 -0.886 1.00 0.00 C ATOM 271 C GLU A 17 4.707 14.801 0.213 1.00 0.00 C ATOM 272 O GLU A 17 4.620 16.027 0.198 1.00 0.00 O ATOM 273 CB GLU A 17 2.534 14.179 -0.907 1.00 0.00 C ATOM 274 CG GLU A 17 1.965 13.939 -2.307 1.00 0.00 C ATOM 275 CD GLU A 17 1.243 15.184 -2.825 1.00 0.00 C ATOM 276 OE1 GLU A 17 0.878 16.065 -2.032 1.00 0.00 O ATOM 277 OE2 GLU A 17 1.063 15.218 -4.102 1.00 0.00 O ATOM 0 H GLU A 17 3.623 11.997 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 17 4.443 14.288 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.057 13.504 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.303 15.195 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.771 13.671 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.274 13.097 -2.283 1.00 0.00 H new TER 285 GLU A 17