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 Set 1.1: A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 154:sc= -0.0253 (180deg=-0.582) 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= -0.334 X(o=-0.33,f=-0.25) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 84:sc= 0.0547 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -3.494 -13.409 -0.188 1.00 0.00 N ATOM 2 CA ARG A 1 -3.591 -12.019 -0.600 1.00 0.00 C ATOM 3 C ARG A 1 -2.214 -11.488 -1.004 1.00 0.00 C ATOM 4 O ARG A 1 -1.576 -10.763 -0.244 1.00 0.00 O ATOM 5 CB ARG A 1 -4.154 -11.149 0.525 1.00 0.00 C ATOM 6 CG ARG A 1 -3.449 -11.442 1.851 1.00 0.00 C ATOM 7 CD ARG A 1 -3.250 -10.160 2.662 1.00 0.00 C ATOM 8 NE ARG A 1 -4.499 -9.815 3.377 1.00 0.00 N ATOM 9 CZ ARG A 1 -4.819 -10.275 4.606 1.00 0.00 C ATOM 10 NH1 ARG A 1 -3.984 -11.105 5.266 1.00 0.00 N ATOM 11 NH2 ARG A 1 -5.962 -9.902 5.150 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.267 -13.630 0.471 1.00 0.00 H new ATOM 0 H2 ARG A 1 -3.564 -14.024 -1.023 1.00 0.00 H new ATOM 0 H3 ARG A 1 -2.581 -13.568 0.284 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.268 -11.973 -1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -4.034 -10.096 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.224 -11.331 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.037 -12.155 2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -2.483 -11.908 1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -2.437 -10.294 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -2.962 -9.343 2.001 1.00 0.00 H new ATOM 0 HE ARG A 1 -5.159 -9.191 2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -3.103 -11.390 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -4.234 -11.448 6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -6.588 -9.276 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -6.220 -10.240 6.077 1.00 0.00 H new ATOM 26 N SER A 2 -1.796 -11.870 -2.202 1.00 0.00 N ATOM 27 CA SER A 2 -0.507 -11.442 -2.717 1.00 0.00 C ATOM 28 C SER A 2 -0.676 -10.182 -3.569 1.00 0.00 C ATOM 29 O SER A 2 0.305 -9.521 -3.907 1.00 0.00 O ATOM 30 CB SER A 2 0.155 -12.552 -3.536 1.00 0.00 C ATOM 31 OG SER A 2 0.177 -13.793 -2.835 1.00 0.00 O ATOM 0 H SER A 2 -2.328 -12.472 -2.831 1.00 0.00 H new ATOM 0 HA SER A 2 0.142 -11.216 -1.871 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.381 -12.677 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.175 -12.259 -3.786 1.00 0.00 H new ATOM 0 HG SER A 2 0.606 -14.476 -3.392 1.00 0.00 H new ATOM 37 N LYS A 3 -1.927 -9.889 -3.892 1.00 0.00 N ATOM 38 CA LYS A 3 -2.236 -8.720 -4.699 1.00 0.00 C ATOM 39 C LYS A 3 -2.341 -7.493 -3.791 1.00 0.00 C ATOM 40 O LYS A 3 -2.175 -6.363 -4.248 1.00 0.00 O ATOM 41 CB LYS A 3 -3.487 -8.968 -5.544 1.00 0.00 C ATOM 42 CG LYS A 3 -3.514 -8.050 -6.767 1.00 0.00 C ATOM 43 CD LYS A 3 -4.046 -8.790 -7.997 1.00 0.00 C ATOM 44 CE LYS A 3 -5.341 -8.152 -8.501 1.00 0.00 C ATOM 45 NZ LYS A 3 -6.510 -8.971 -8.107 1.00 0.00 N ATOM 0 H LYS A 3 -2.738 -10.440 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.433 -8.524 -5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.512 -10.009 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.378 -8.800 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.141 -7.182 -6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.510 -7.677 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.296 -8.774 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.224 -9.836 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.440 -7.146 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.307 -8.054 -9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.381 -8.524 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.421 -9.923 -8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.550 -9.043 -7.070 1.00 0.00 H new ATOM 58 N ASP A 4 -2.615 -7.756 -2.522 1.00 0.00 N ATOM 59 CA ASP A 4 -2.745 -6.687 -1.547 1.00 0.00 C ATOM 60 C ASP A 4 -1.391 -5.994 -1.374 1.00 0.00 C ATOM 61 O ASP A 4 -1.328 -4.852 -0.921 1.00 0.00 O ATOM 62 CB ASP A 4 -3.172 -7.235 -0.183 1.00 0.00 C ATOM 63 CG ASP A 4 -4.461 -6.632 0.380 1.00 0.00 C ATOM 64 OD1 ASP A 4 -5.542 -6.769 -0.212 1.00 0.00 O ATOM 65 OD2 ASP A 4 -4.322 -5.991 1.491 1.00 0.00 O ATOM 0 H ASP A 4 -2.751 -8.695 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.501 -5.990 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.299 -8.314 -0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.366 -7.062 0.530 1.00 0.00 H new ATOM 71 N LEU A 5 -0.342 -6.713 -1.746 1.00 0.00 N ATOM 72 CA LEU A 5 1.005 -6.182 -1.638 1.00 0.00 C ATOM 73 C LEU A 5 1.137 -4.953 -2.540 1.00 0.00 C ATOM 74 O LEU A 5 1.900 -4.036 -2.239 1.00 0.00 O ATOM 75 CB LEU A 5 2.037 -7.273 -1.930 1.00 0.00 C ATOM 76 CG LEU A 5 3.210 -7.365 -0.953 1.00 0.00 C ATOM 77 CD1 LEU A 5 3.632 -8.820 -0.738 1.00 0.00 C ATOM 78 CD2 LEU A 5 4.380 -6.493 -1.416 1.00 0.00 C ATOM 0 H LEU A 5 -0.398 -7.659 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 5 1.204 -5.853 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.525 -8.235 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.436 -7.110 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 5 2.881 -6.978 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.468 -8.857 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.794 -9.386 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.936 -9.255 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.201 -6.577 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.716 -6.827 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.057 -5.454 -1.477 1.00 0.00 H new ATOM 90 N ARG A 6 0.383 -4.974 -3.630 1.00 0.00 N ATOM 91 CA ARG A 6 0.406 -3.874 -4.578 1.00 0.00 C ATOM 92 C ARG A 6 -0.361 -2.673 -4.018 1.00 0.00 C ATOM 93 O ARG A 6 -0.158 -1.543 -4.456 1.00 0.00 O ATOM 94 CB ARG A 6 -0.212 -4.286 -5.915 1.00 0.00 C ATOM 95 CG ARG A 6 0.325 -3.419 -7.057 1.00 0.00 C ATOM 96 CD ARG A 6 1.105 -4.264 -8.066 1.00 0.00 C ATOM 97 NE ARG A 6 1.170 -3.565 -9.369 1.00 0.00 N ATOM 98 CZ ARG A 6 1.453 -4.173 -10.541 1.00 0.00 C ATOM 99 NH1 ARG A 6 1.701 -5.499 -10.582 1.00 0.00 N ATOM 100 NH2 ARG A 6 1.483 -3.451 -11.645 1.00 0.00 N ATOM 0 H ARG A 6 -0.248 -5.736 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 6 1.448 -3.600 -4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.009 -5.335 -6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.297 -4.194 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.503 -2.919 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.971 -2.639 -6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.112 -4.452 -7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.624 -5.235 -8.188 1.00 0.00 H new ATOM 0 HE ARG A 6 0.990 -2.561 -9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.675 -6.049 -9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.914 -5.951 -11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.294 -2.449 -11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.695 -3.894 -12.539 1.00 0.00 H new ATOM 114 N HIS A 7 -1.225 -2.961 -3.056 1.00 0.00 N ATOM 115 CA HIS A 7 -2.024 -1.920 -2.431 1.00 0.00 C ATOM 116 C HIS A 7 -1.151 -1.113 -1.467 1.00 0.00 C ATOM 117 O HIS A 7 -1.469 0.030 -1.145 1.00 0.00 O ATOM 118 CB HIS A 7 -3.259 -2.516 -1.754 1.00 0.00 C ATOM 119 CG HIS A 7 -4.372 -2.872 -2.712 1.00 0.00 C ATOM 120 ND1 HIS A 7 -4.762 -2.043 -3.749 1.00 0.00 N ATOM 121 CD2 HIS A 7 -5.172 -3.975 -2.779 1.00 0.00 C ATOM 122 CE1 HIS A 7 -5.753 -2.630 -4.403 1.00 0.00 C ATOM 123 NE2 HIS A 7 -6.006 -3.828 -3.800 1.00 0.00 N ATOM 0 H HIS A 7 -1.390 -3.900 -2.694 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.394 -1.234 -3.193 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.964 -3.411 -1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.638 -1.804 -1.021 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.133 -4.824 -2.113 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.270 -2.231 -5.263 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.718 -4.499 -4.087 1.00 0.00 H new ATOM 131 N ALA A 8 -0.068 -1.741 -1.034 1.00 0.00 N ATOM 132 CA ALA A 8 0.854 -1.096 -0.114 1.00 0.00 C ATOM 133 C ALA A 8 1.548 0.066 -0.825 1.00 0.00 C ATOM 134 O ALA A 8 1.912 1.057 -0.194 1.00 0.00 O ATOM 135 CB ALA A 8 1.846 -2.128 0.423 1.00 0.00 C ATOM 0 H ALA A 8 0.192 -2.690 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 8 0.318 -0.685 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.537 -1.644 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.304 -2.916 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.405 -2.561 -0.406 1.00 0.00 H new ATOM 141 N PHE A 9 1.712 -0.094 -2.130 1.00 0.00 N ATOM 142 CA PHE A 9 2.357 0.930 -2.935 1.00 0.00 C ATOM 143 C PHE A 9 1.522 2.211 -2.964 1.00 0.00 C ATOM 144 O PHE A 9 2.051 3.297 -3.199 1.00 0.00 O ATOM 145 CB PHE A 9 2.470 0.377 -4.356 1.00 0.00 C ATOM 146 CG PHE A 9 3.851 -0.189 -4.697 1.00 0.00 C ATOM 147 CD1 PHE A 9 4.319 -1.283 -4.038 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.611 0.403 -5.657 1.00 0.00 C ATOM 149 CE1 PHE A 9 5.599 -1.808 -4.353 1.00 0.00 C ATOM 150 CE2 PHE A 9 5.891 -0.122 -5.972 1.00 0.00 C ATOM 151 CZ PHE A 9 6.359 -1.216 -5.314 1.00 0.00 C ATOM 0 H PHE A 9 1.409 -0.918 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 9 3.333 1.174 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.724 -0.407 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.229 1.170 -5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.716 -1.752 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.240 1.273 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.970 -2.677 -3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.494 0.348 -6.735 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.334 -1.615 -5.554 1.00 0.00 H new ATOM 161 N ARG A 10 0.230 2.044 -2.722 1.00 0.00 N ATOM 162 CA ARG A 10 -0.683 3.173 -2.717 1.00 0.00 C ATOM 163 C ARG A 10 -0.434 4.054 -1.491 1.00 0.00 C ATOM 164 O ARG A 10 -0.765 5.239 -1.495 1.00 0.00 O ATOM 165 CB ARG A 10 -2.140 2.704 -2.711 1.00 0.00 C ATOM 166 CG ARG A 10 -2.989 3.541 -3.670 1.00 0.00 C ATOM 167 CD ARG A 10 -4.265 4.034 -2.985 1.00 0.00 C ATOM 168 NE ARG A 10 -5.402 3.975 -3.930 1.00 0.00 N ATOM 169 CZ ARG A 10 -6.180 2.887 -4.111 1.00 0.00 C ATOM 170 NH1 ARG A 10 -5.948 1.755 -3.413 1.00 0.00 N ATOM 171 NH2 ARG A 10 -7.170 2.946 -4.983 1.00 0.00 N ATOM 0 H ARG A 10 -0.206 1.143 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.501 3.748 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.189 1.654 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.545 2.778 -1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.410 4.394 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.249 2.946 -4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.477 3.421 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.127 5.056 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.611 4.809 -4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.180 1.717 -2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.541 0.937 -3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.337 3.805 -5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.767 2.133 -5.132 1.00 0.00 H new ATOM 185 N SER A 11 0.149 3.440 -0.471 1.00 0.00 N ATOM 186 CA SER A 11 0.447 4.153 0.760 1.00 0.00 C ATOM 187 C SER A 11 1.668 5.054 0.560 1.00 0.00 C ATOM 188 O SER A 11 1.924 5.945 1.368 1.00 0.00 O ATOM 189 CB SER A 11 0.689 3.180 1.915 1.00 0.00 C ATOM 190 OG SER A 11 -0.042 3.545 3.083 1.00 0.00 O ATOM 0 H SER A 11 0.423 2.457 -0.472 1.00 0.00 H new ATOM 0 HA SER A 11 -0.414 4.770 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.403 2.174 1.608 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.753 3.151 2.148 1.00 0.00 H new ATOM 0 HG SER A 11 0.138 2.898 3.797 1.00 0.00 H new ATOM 196 N MET A 12 2.389 4.789 -0.520 1.00 0.00 N ATOM 197 CA MET A 12 3.576 5.564 -0.835 1.00 0.00 C ATOM 198 C MET A 12 3.218 6.806 -1.654 1.00 0.00 C ATOM 199 O MET A 12 4.037 7.711 -1.805 1.00 0.00 O ATOM 200 CB MET A 12 4.557 4.697 -1.626 1.00 0.00 C ATOM 201 CG MET A 12 5.785 4.350 -0.782 1.00 0.00 C ATOM 202 SD MET A 12 6.813 5.795 -0.576 1.00 0.00 S ATOM 203 CE MET A 12 7.096 5.726 1.184 1.00 0.00 C ATOM 0 H MET A 12 2.173 4.048 -1.187 1.00 0.00 H new ATOM 0 HA MET A 12 4.035 5.887 0.100 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.061 3.781 -1.947 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.868 5.224 -2.528 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.472 3.974 0.192 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.354 3.554 -1.263 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.726 6.563 1.484 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.142 5.783 1.708 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.593 4.789 1.436 1.00 0.00 H new ATOM 213 N PHE A 13 1.994 6.810 -2.161 1.00 0.00 N ATOM 214 CA PHE A 13 1.517 7.925 -2.961 1.00 0.00 C ATOM 215 C PHE A 13 1.430 9.202 -2.122 1.00 0.00 C ATOM 216 O PHE A 13 1.943 10.247 -2.519 1.00 0.00 O ATOM 217 CB PHE A 13 0.117 7.557 -3.455 1.00 0.00 C ATOM 218 CG PHE A 13 -0.043 7.621 -4.975 1.00 0.00 C ATOM 219 CD1 PHE A 13 -0.357 8.799 -5.575 1.00 0.00 C ATOM 220 CD2 PHE A 13 0.128 6.499 -5.724 1.00 0.00 C ATOM 221 CE1 PHE A 13 -0.506 8.859 -6.987 1.00 0.00 C ATOM 222 CE2 PHE A 13 -0.021 6.558 -7.135 1.00 0.00 C ATOM 223 CZ PHE A 13 -0.335 7.738 -7.736 1.00 0.00 C ATOM 0 H PHE A 13 1.317 6.058 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 13 2.203 8.110 -3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.123 6.549 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.608 8.229 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.493 9.689 -4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.377 5.563 -5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.755 9.795 -7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.115 5.667 -7.731 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.448 7.784 -8.809 1.00 0.00 H new ATOM 233 N PRO A 14 0.757 9.073 -0.947 1.00 0.00 N ATOM 234 CA PRO A 14 0.595 10.203 -0.049 1.00 0.00 C ATOM 235 C PRO A 14 1.899 10.508 0.691 1.00 0.00 C ATOM 236 O PRO A 14 2.106 11.627 1.158 1.00 0.00 O ATOM 237 CB PRO A 14 -0.537 9.807 0.883 1.00 0.00 C ATOM 238 CG PRO A 14 -0.655 8.295 0.776 1.00 0.00 C ATOM 239 CD PRO A 14 0.135 7.852 -0.444 1.00 0.00 C ATOM 0 HA PRO A 14 0.355 11.126 -0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.323 10.111 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.469 10.293 0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.268 7.817 1.676 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.700 7.999 0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.884 7.105 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.515 7.401 -1.194 1.00 0.00 H new ATOM 247 N SER A 15 2.746 9.492 0.774 1.00 0.00 N ATOM 248 CA SER A 15 4.025 9.637 1.449 1.00 0.00 C ATOM 249 C SER A 15 5.068 10.197 0.480 1.00 0.00 C ATOM 250 O SER A 15 6.046 10.811 0.902 1.00 0.00 O ATOM 251 CB SER A 15 4.498 8.300 2.024 1.00 0.00 C ATOM 252 OG SER A 15 5.754 8.419 2.686 1.00 0.00 O ATOM 0 H SER A 15 2.572 8.565 0.385 1.00 0.00 H new ATOM 0 HA SER A 15 3.898 10.334 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.753 7.923 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.579 7.568 1.220 1.00 0.00 H new ATOM 0 HG SER A 15 6.021 7.545 3.040 1.00 0.00 H new ATOM 258 N SER A 16 4.823 9.965 -0.802 1.00 0.00 N ATOM 259 CA SER A 16 5.729 10.439 -1.834 1.00 0.00 C ATOM 260 C SER A 16 5.647 11.963 -1.942 1.00 0.00 C ATOM 261 O SER A 16 6.534 12.596 -2.513 1.00 0.00 O ATOM 262 CB SER A 16 5.411 9.793 -3.184 1.00 0.00 C ATOM 263 OG SER A 16 6.279 8.700 -3.471 1.00 0.00 O ATOM 0 H SER A 16 4.010 9.455 -1.149 1.00 0.00 H new ATOM 0 HA SER A 16 6.744 10.155 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.378 9.445 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.497 10.541 -3.973 1.00 0.00 H new ATOM 0 HG SER A 16 5.939 7.890 -3.037 1.00 0.00 H new ATOM 269 N GLU A 17 4.575 12.507 -1.386 1.00 0.00 N ATOM 270 CA GLU A 17 4.366 13.945 -1.414 1.00 0.00 C ATOM 271 C GLU A 17 5.014 14.599 -0.192 1.00 0.00 C ATOM 272 O GLU A 17 4.481 14.521 0.914 1.00 0.00 O ATOM 273 CB GLU A 17 2.875 14.281 -1.490 1.00 0.00 C ATOM 274 CG GLU A 17 2.520 14.893 -2.846 1.00 0.00 C ATOM 275 CD GLU A 17 1.014 14.819 -3.103 1.00 0.00 C ATOM 276 OE1 GLU A 17 0.239 15.547 -2.465 1.00 0.00 O ATOM 277 OE2 GLU A 17 0.655 13.967 -4.005 1.00 0.00 O ATOM 0 H GLU A 17 3.842 11.978 -0.913 1.00 0.00 H new ATOM 0 HA GLU A 17 4.841 14.344 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.286 13.378 -1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.614 14.977 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.847 15.932 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.054 14.367 -3.637 1.00 0.00 H new TER 285 GLU A 17