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+ 134:sc= -0.0678 (180deg=-0.567) 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= 0.00533 X(o=0.0053,f=-0.29) 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 -3.069 -13.757 2.314 1.00 0.00 N ATOM 2 CA ARG A 1 -3.001 -13.084 1.029 1.00 0.00 C ATOM 3 C ARG A 1 -1.969 -11.955 1.074 1.00 0.00 C ATOM 4 O ARG A 1 -1.947 -11.168 2.019 1.00 0.00 O ATOM 5 CB ARG A 1 -4.363 -12.505 0.637 1.00 0.00 C ATOM 6 CG ARG A 1 -4.797 -11.413 1.616 1.00 0.00 C ATOM 7 CD ARG A 1 -6.277 -11.074 1.438 1.00 0.00 C ATOM 8 NE ARG A 1 -6.437 -10.016 0.415 1.00 0.00 N ATOM 9 CZ ARG A 1 -7.579 -9.788 -0.266 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.675 -10.543 -0.040 1.00 0.00 N ATOM 11 NH2 ARG A 1 -7.608 -8.815 -1.158 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.064 -13.887 2.586 1.00 0.00 H new ATOM 0 H2 ARG A 1 -2.605 -14.685 2.245 1.00 0.00 H new ATOM 0 H3 ARG A 1 -2.586 -13.182 3.033 1.00 0.00 H new ATOM 0 HA ARG A 1 -2.704 -13.822 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -4.311 -12.094 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.109 -13.300 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.617 -11.744 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.194 -10.519 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.829 -11.965 1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -6.698 -10.740 2.386 1.00 0.00 H new ATOM 0 HE ARG A 1 -5.633 -9.422 0.212 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.644 -11.293 0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.534 -10.363 -0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -6.775 -8.250 -1.323 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -8.463 -8.629 -1.682 1.00 0.00 H new ATOM 26 N SER A 2 -1.140 -11.912 0.041 1.00 0.00 N ATOM 27 CA SER A 2 -0.108 -10.893 -0.048 1.00 0.00 C ATOM 28 C SER A 2 -0.611 -9.712 -0.881 1.00 0.00 C ATOM 29 O SER A 2 0.162 -8.822 -1.232 1.00 0.00 O ATOM 30 CB SER A 2 1.177 -11.462 -0.654 1.00 0.00 C ATOM 31 OG SER A 2 2.239 -11.504 0.294 1.00 0.00 O ATOM 0 H SER A 2 -1.162 -12.566 -0.741 1.00 0.00 H new ATOM 0 HA SER A 2 0.121 -10.547 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.987 -12.467 -1.030 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.476 -10.853 -1.507 1.00 0.00 H new ATOM 0 HG SER A 2 3.041 -11.875 -0.130 1.00 0.00 H new ATOM 37 N LYS A 3 -1.902 -9.743 -1.175 1.00 0.00 N ATOM 38 CA LYS A 3 -2.517 -8.686 -1.961 1.00 0.00 C ATOM 39 C LYS A 3 -2.674 -7.436 -1.092 1.00 0.00 C ATOM 40 O LYS A 3 -2.850 -6.334 -1.610 1.00 0.00 O ATOM 41 CB LYS A 3 -3.828 -9.173 -2.581 1.00 0.00 C ATOM 42 CG LYS A 3 -3.562 -10.142 -3.736 1.00 0.00 C ATOM 43 CD LYS A 3 -3.695 -9.436 -5.086 1.00 0.00 C ATOM 44 CE LYS A 3 -4.752 -10.114 -5.958 1.00 0.00 C ATOM 45 NZ LYS A 3 -5.019 -9.308 -7.171 1.00 0.00 N ATOM 0 H LYS A 3 -2.540 -10.484 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.877 -8.413 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.433 -9.666 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.403 -8.320 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.561 -10.563 -3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.264 -10.974 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.964 -8.391 -4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.734 -9.444 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.412 -11.110 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.673 -10.242 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.739 -9.783 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.364 -8.367 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.142 -9.207 -7.721 1.00 0.00 H new ATOM 58 N ASP A 4 -2.604 -7.650 0.213 1.00 0.00 N ATOM 59 CA ASP A 4 -2.736 -6.555 1.159 1.00 0.00 C ATOM 60 C ASP A 4 -1.376 -5.877 1.341 1.00 0.00 C ATOM 61 O ASP A 4 -1.305 -4.726 1.769 1.00 0.00 O ATOM 62 CB ASP A 4 -3.200 -7.060 2.527 1.00 0.00 C ATOM 63 CG ASP A 4 -4.637 -6.692 2.899 1.00 0.00 C ATOM 64 OD1 ASP A 4 -5.333 -5.993 2.147 1.00 0.00 O ATOM 65 OD2 ASP A 4 -5.045 -7.161 4.029 1.00 0.00 O ATOM 0 H ASP A 4 -2.458 -8.566 0.638 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.474 -5.856 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.102 -8.145 2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.530 -6.663 3.290 1.00 0.00 H new ATOM 71 N LEU A 5 -0.332 -6.620 1.007 1.00 0.00 N ATOM 72 CA LEU A 5 1.022 -6.105 1.129 1.00 0.00 C ATOM 73 C LEU A 5 1.190 -4.900 0.201 1.00 0.00 C ATOM 74 O LEU A 5 1.960 -3.988 0.497 1.00 0.00 O ATOM 75 CB LEU A 5 2.043 -7.218 0.883 1.00 0.00 C ATOM 76 CG LEU A 5 2.679 -7.833 2.131 1.00 0.00 C ATOM 77 CD1 LEU A 5 3.553 -6.810 2.860 1.00 0.00 C ATOM 78 CD2 LEU A 5 1.615 -8.436 3.049 1.00 0.00 C ATOM 0 H LEU A 5 -0.395 -7.574 0.652 1.00 0.00 H new ATOM 0 HA LEU A 5 1.206 -5.754 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.555 -8.013 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.838 -6.821 0.252 1.00 0.00 H new ATOM 0 HG LEU A 5 3.331 -8.648 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.994 -7.272 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.346 -6.469 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.942 -5.959 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.095 -8.866 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.919 -7.657 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.072 -9.215 2.514 1.00 0.00 H new ATOM 90 N ARG A 6 0.457 -4.936 -0.902 1.00 0.00 N ATOM 91 CA ARG A 6 0.516 -3.858 -1.875 1.00 0.00 C ATOM 92 C ARG A 6 -0.244 -2.635 -1.358 1.00 0.00 C ATOM 93 O ARG A 6 -0.017 -1.518 -1.820 1.00 0.00 O ATOM 94 CB ARG A 6 -0.082 -4.293 -3.214 1.00 0.00 C ATOM 95 CG ARG A 6 0.994 -4.353 -4.301 1.00 0.00 C ATOM 96 CD ARG A 6 0.367 -4.546 -5.683 1.00 0.00 C ATOM 97 NE ARG A 6 1.105 -5.586 -6.433 1.00 0.00 N ATOM 98 CZ ARG A 6 1.066 -5.724 -7.776 1.00 0.00 C ATOM 99 NH1 ARG A 6 0.322 -4.886 -8.528 1.00 0.00 N ATOM 100 NH2 ARG A 6 1.766 -6.690 -8.340 1.00 0.00 N ATOM 0 H ARG A 6 -0.181 -5.694 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 6 1.565 -3.602 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.551 -5.271 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.865 -3.595 -3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.580 -3.434 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.682 -5.172 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.679 -4.834 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.386 -3.606 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 6 1.680 -6.240 -5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.216 -4.142 -8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.297 -4.996 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.325 -7.318 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.748 -6.808 -9.353 1.00 0.00 H new ATOM 114 N HIS A 7 -1.132 -2.888 -0.407 1.00 0.00 N ATOM 115 CA HIS A 7 -1.926 -1.821 0.178 1.00 0.00 C ATOM 116 C HIS A 7 -1.062 -1.004 1.139 1.00 0.00 C ATOM 117 O HIS A 7 -1.369 0.151 1.428 1.00 0.00 O ATOM 118 CB HIS A 7 -3.184 -2.383 0.843 1.00 0.00 C ATOM 119 CG HIS A 7 -4.273 -2.769 -0.129 1.00 0.00 C ATOM 120 ND1 HIS A 7 -4.045 -3.583 -1.226 1.00 0.00 N ATOM 121 CD2 HIS A 7 -5.598 -2.447 -0.157 1.00 0.00 C ATOM 122 CE1 HIS A 7 -5.189 -3.735 -1.878 1.00 0.00 C ATOM 123 NE2 HIS A 7 -6.150 -3.030 -1.215 1.00 0.00 N ATOM 0 H HIS A 7 -1.319 -3.816 -0.027 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.270 -1.147 -0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.911 -3.258 1.433 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.578 -1.641 1.538 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -3.149 -3.995 -1.488 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.111 -1.823 0.560 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.335 -4.316 -2.777 1.00 0.00 H new ATOM 131 N ALA A 8 0.004 -1.637 1.608 1.00 0.00 N ATOM 132 CA ALA A 8 0.917 -0.983 2.531 1.00 0.00 C ATOM 133 C ALA A 8 1.642 0.152 1.806 1.00 0.00 C ATOM 134 O ALA A 8 2.008 1.152 2.421 1.00 0.00 O ATOM 135 CB ALA A 8 1.884 -2.016 3.111 1.00 0.00 C ATOM 0 H ALA A 8 0.256 -2.595 1.366 1.00 0.00 H new ATOM 0 HA ALA A 8 0.370 -0.545 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.568 -1.525 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.321 -2.784 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.453 -2.476 2.303 1.00 0.00 H new ATOM 141 N PHE A 9 1.829 -0.041 0.509 1.00 0.00 N ATOM 142 CA PHE A 9 2.504 0.954 -0.307 1.00 0.00 C ATOM 143 C PHE A 9 1.688 2.246 -0.383 1.00 0.00 C ATOM 144 O PHE A 9 2.237 3.318 -0.632 1.00 0.00 O ATOM 145 CB PHE A 9 2.638 0.366 -1.712 1.00 0.00 C ATOM 146 CG PHE A 9 4.016 -0.229 -2.009 1.00 0.00 C ATOM 147 CD1 PHE A 9 4.532 -1.189 -1.196 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.725 0.204 -3.087 1.00 0.00 C ATOM 149 CE1 PHE A 9 5.812 -1.740 -1.472 1.00 0.00 C ATOM 150 CE2 PHE A 9 6.004 -0.348 -3.362 1.00 0.00 C ATOM 151 CZ PHE A 9 6.520 -1.308 -2.549 1.00 0.00 C ATOM 0 H PHE A 9 1.525 -0.872 0.002 1.00 0.00 H new ATOM 0 HA PHE A 9 3.475 1.194 0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.883 -0.409 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.425 1.146 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.969 -1.532 -0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.315 0.967 -3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.223 -2.502 -0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.567 -0.005 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.493 -1.727 -2.759 1.00 0.00 H new ATOM 161 N ARG A 10 0.389 2.101 -0.164 1.00 0.00 N ATOM 162 CA ARG A 10 -0.509 3.243 -0.205 1.00 0.00 C ATOM 163 C ARG A 10 -0.271 4.149 1.005 1.00 0.00 C ATOM 164 O ARG A 10 -0.585 5.338 0.966 1.00 0.00 O ATOM 165 CB ARG A 10 -1.971 2.794 -0.220 1.00 0.00 C ATOM 166 CG ARG A 10 -2.885 3.918 -0.711 1.00 0.00 C ATOM 167 CD ARG A 10 -4.300 3.758 -0.151 1.00 0.00 C ATOM 168 NE ARG A 10 -5.025 5.046 -0.233 1.00 0.00 N ATOM 169 CZ ARG A 10 -6.366 5.167 -0.133 1.00 0.00 C ATOM 170 NH1 ARG A 10 -7.141 4.078 0.052 1.00 0.00 N ATOM 171 NH2 ARG A 10 -6.908 6.368 -0.221 1.00 0.00 N ATOM 0 H ARG A 10 -0.063 1.210 0.042 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.302 3.795 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.081 1.923 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.271 2.488 0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.477 4.882 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.919 3.915 -1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.837 2.992 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.254 3.422 0.885 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.477 5.895 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.715 3.154 0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.153 4.179 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.315 7.186 -0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.919 6.478 -0.148 1.00 0.00 H new ATOM 185 N SER A 11 0.280 3.552 2.051 1.00 0.00 N ATOM 186 CA SER A 11 0.563 4.290 3.270 1.00 0.00 C ATOM 187 C SER A 11 1.800 5.169 3.074 1.00 0.00 C ATOM 188 O SER A 11 2.053 6.076 3.866 1.00 0.00 O ATOM 189 CB SER A 11 0.767 3.342 4.453 1.00 0.00 C ATOM 190 OG SER A 11 0.233 3.874 5.662 1.00 0.00 O ATOM 0 H SER A 11 0.538 2.566 2.080 1.00 0.00 H new ATOM 0 HA SER A 11 -0.294 4.925 3.492 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.292 2.385 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.832 3.147 4.582 1.00 0.00 H new ATOM 0 HG SER A 11 0.382 3.238 6.393 1.00 0.00 H new ATOM 196 N MET A 12 2.539 4.869 2.016 1.00 0.00 N ATOM 197 CA MET A 12 3.744 5.620 1.707 1.00 0.00 C ATOM 198 C MET A 12 3.420 6.847 0.852 1.00 0.00 C ATOM 199 O MET A 12 4.256 7.738 0.697 1.00 0.00 O ATOM 200 CB MET A 12 4.728 4.720 0.958 1.00 0.00 C ATOM 201 CG MET A 12 5.924 4.359 1.842 1.00 0.00 C ATOM 202 SD MET A 12 5.673 2.754 2.583 1.00 0.00 S ATOM 203 CE MET A 12 6.270 3.077 4.233 1.00 0.00 C ATOM 0 H MET A 12 2.326 4.116 1.362 1.00 0.00 H new ATOM 0 HA MET A 12 4.189 5.960 2.642 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.221 3.810 0.636 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.076 5.226 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.838 4.356 1.248 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.052 5.112 2.620 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.184 2.172 4.835 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.315 3.385 4.188 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.676 3.871 4.686 1.00 0.00 H new ATOM 213 N PHE A 13 2.208 6.855 0.320 1.00 0.00 N ATOM 214 CA PHE A 13 1.763 7.958 -0.514 1.00 0.00 C ATOM 215 C PHE A 13 1.676 9.256 0.291 1.00 0.00 C ATOM 216 O PHE A 13 2.213 10.283 -0.120 1.00 0.00 O ATOM 217 CB PHE A 13 0.369 7.596 -1.029 1.00 0.00 C ATOM 218 CG PHE A 13 0.240 7.627 -2.554 1.00 0.00 C ATOM 219 CD1 PHE A 13 0.568 8.753 -3.242 1.00 0.00 C ATOM 220 CD2 PHE A 13 -0.200 6.526 -3.221 1.00 0.00 C ATOM 221 CE1 PHE A 13 0.449 8.780 -4.656 1.00 0.00 C ATOM 222 CE2 PHE A 13 -0.320 6.553 -4.635 1.00 0.00 C ATOM 223 CZ PHE A 13 0.007 7.681 -5.323 1.00 0.00 C ATOM 0 H PHE A 13 1.519 6.114 0.450 1.00 0.00 H new ATOM 0 HA PHE A 13 2.469 8.115 -1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.109 6.599 -0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.356 8.287 -0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.919 9.627 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.458 5.631 -2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.710 9.674 -5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.670 5.679 -5.165 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.085 7.703 -6.399 1.00 0.00 H new ATOM 233 N PRO A 14 0.978 9.163 1.455 1.00 0.00 N ATOM 234 CA PRO A 14 0.814 10.317 2.322 1.00 0.00 C ATOM 235 C PRO A 14 2.106 10.621 3.082 1.00 0.00 C ATOM 236 O PRO A 14 2.319 11.747 3.527 1.00 0.00 O ATOM 237 CB PRO A 14 -0.343 9.959 3.239 1.00 0.00 C ATOM 238 CG PRO A 14 -0.481 8.446 3.165 1.00 0.00 C ATOM 239 CD PRO A 14 0.329 7.962 1.974 1.00 0.00 C ATOM 0 HA PRO A 14 0.599 11.231 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.146 10.284 4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.262 10.451 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.121 7.984 4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.528 8.163 3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.062 7.213 2.272 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.310 7.501 1.221 1.00 0.00 H new ATOM 247 N SER A 15 2.936 9.596 3.207 1.00 0.00 N ATOM 248 CA SER A 15 4.203 9.738 3.905 1.00 0.00 C ATOM 249 C SER A 15 5.274 10.261 2.944 1.00 0.00 C ATOM 250 O SER A 15 6.252 10.872 3.373 1.00 0.00 O ATOM 251 CB SER A 15 4.646 8.410 4.521 1.00 0.00 C ATOM 252 OG SER A 15 5.064 8.562 5.874 1.00 0.00 O ATOM 0 H SER A 15 2.756 8.663 2.836 1.00 0.00 H new ATOM 0 HA SER A 15 4.068 10.455 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.823 7.696 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.464 7.993 3.934 1.00 0.00 H new ATOM 0 HG SER A 15 5.337 7.692 6.232 1.00 0.00 H new ATOM 258 N SER A 16 5.052 10.003 1.664 1.00 0.00 N ATOM 259 CA SER A 16 5.985 10.440 0.640 1.00 0.00 C ATOM 260 C SER A 16 5.975 11.967 0.540 1.00 0.00 C ATOM 261 O SER A 16 6.923 12.565 0.032 1.00 0.00 O ATOM 262 CB SER A 16 5.647 9.817 -0.716 1.00 0.00 C ATOM 263 OG SER A 16 6.543 8.762 -1.057 1.00 0.00 O ATOM 0 H SER A 16 4.239 9.497 1.313 1.00 0.00 H new ATOM 0 HA SER A 16 6.984 10.107 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.627 9.434 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.682 10.586 -1.487 1.00 0.00 H new ATOM 0 HG SER A 16 6.293 8.389 -1.928 1.00 0.00 H new ATOM 269 N GLU A 17 4.894 12.553 1.032 1.00 0.00 N ATOM 270 CA GLU A 17 4.749 13.998 1.004 1.00 0.00 C ATOM 271 C GLU A 17 5.336 14.615 2.275 1.00 0.00 C ATOM 272 O GLU A 17 5.123 14.105 3.373 1.00 0.00 O ATOM 273 CB GLU A 17 3.282 14.398 0.828 1.00 0.00 C ATOM 274 CG GLU A 17 3.156 15.882 0.479 1.00 0.00 C ATOM 275 CD GLU A 17 2.170 16.094 -0.671 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.018 16.490 -0.435 1.00 0.00 O ATOM 277 OE2 GLU A 17 2.636 15.833 -1.845 1.00 0.00 O ATOM 0 H GLU A 17 4.110 12.053 1.452 1.00 0.00 H new ATOM 0 HA GLU A 17 5.302 14.383 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.829 13.796 0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.732 14.189 1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.823 16.438 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.133 16.278 0.202 1.00 0.00 H new TER 285 GLU A 17