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+ -118:sc= -0.109 (180deg=-0.627) 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= -0.0566 X(o=-0.057,f=-0.2) USER MOD Single : A 11 SER OG : rot -26:sc= 0.0993 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 -16:sc= 0.317 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -2.848 -14.421 0.522 1.00 0.00 N ATOM 2 CA ARG A 1 -3.489 -13.120 0.604 1.00 0.00 C ATOM 3 C ARG A 1 -2.455 -12.039 0.926 1.00 0.00 C ATOM 4 O ARG A 1 -2.599 -11.310 1.907 1.00 0.00 O ATOM 5 CB ARG A 1 -4.580 -13.109 1.676 1.00 0.00 C ATOM 6 CG ARG A 1 -5.751 -14.007 1.276 1.00 0.00 C ATOM 7 CD ARG A 1 -6.493 -14.525 2.510 1.00 0.00 C ATOM 8 NE ARG A 1 -7.943 -14.615 2.229 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.833 -15.236 3.032 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.427 -15.828 4.175 1.00 0.00 N ATOM 11 NH2 ARG A 1 -10.106 -15.256 2.683 1.00 0.00 N ATOM 0 H1 ARG A 1 -2.964 -14.805 -0.437 1.00 0.00 H new ATOM 0 H2 ARG A 1 -1.835 -14.323 0.735 1.00 0.00 H new ATOM 0 H3 ARG A 1 -3.285 -15.067 1.209 1.00 0.00 H new ATOM 0 HA ARG A 1 -3.946 -12.914 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -4.165 -13.448 2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -4.935 -12.090 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.440 -13.450 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -5.384 -14.848 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.107 -15.505 2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -6.319 -13.859 3.355 1.00 0.00 H new ATOM 0 HE ARG A 1 -8.292 -14.180 1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.442 -15.808 4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.106 -16.295 4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -10.405 -14.806 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.791 -15.721 3.279 1.00 0.00 H new ATOM 26 N SER A 2 -1.436 -11.969 0.082 1.00 0.00 N ATOM 27 CA SER A 2 -0.379 -10.989 0.265 1.00 0.00 C ATOM 28 C SER A 2 -0.682 -9.734 -0.556 1.00 0.00 C ATOM 29 O SER A 2 0.157 -8.841 -0.661 1.00 0.00 O ATOM 30 CB SER A 2 0.982 -11.566 -0.131 1.00 0.00 C ATOM 31 OG SER A 2 1.843 -11.722 0.994 1.00 0.00 O ATOM 0 H SER A 2 -1.320 -12.575 -0.730 1.00 0.00 H new ATOM 0 HA SER A 2 -0.337 -10.724 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.839 -12.532 -0.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.455 -10.910 -0.862 1.00 0.00 H new ATOM 0 HG SER A 2 2.701 -12.094 0.700 1.00 0.00 H new ATOM 37 N LYS A 3 -1.883 -9.705 -1.113 1.00 0.00 N ATOM 38 CA LYS A 3 -2.306 -8.575 -1.921 1.00 0.00 C ATOM 39 C LYS A 3 -2.418 -7.334 -1.033 1.00 0.00 C ATOM 40 O LYS A 3 -2.408 -6.208 -1.530 1.00 0.00 O ATOM 41 CB LYS A 3 -3.593 -8.908 -2.677 1.00 0.00 C ATOM 42 CG LYS A 3 -3.285 -9.594 -4.009 1.00 0.00 C ATOM 43 CD LYS A 3 -4.506 -9.576 -4.932 1.00 0.00 C ATOM 44 CE LYS A 3 -4.872 -10.990 -5.384 1.00 0.00 C ATOM 45 NZ LYS A 3 -5.726 -10.943 -6.592 1.00 0.00 N ATOM 0 H LYS A 3 -2.577 -10.447 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.563 -8.355 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.220 -9.557 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.160 -7.995 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.449 -9.091 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.976 -10.624 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.352 -9.126 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.299 -8.954 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.965 -11.557 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.395 -11.511 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.965 -11.911 -6.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.599 -10.420 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.214 -10.465 -7.361 1.00 0.00 H new ATOM 58 N ASP A 4 -2.523 -7.580 0.264 1.00 0.00 N ATOM 59 CA ASP A 4 -2.637 -6.497 1.225 1.00 0.00 C ATOM 60 C ASP A 4 -1.277 -5.814 1.380 1.00 0.00 C ATOM 61 O ASP A 4 -1.202 -4.665 1.813 1.00 0.00 O ATOM 62 CB ASP A 4 -3.062 -7.021 2.598 1.00 0.00 C ATOM 63 CG ASP A 4 -4.336 -6.392 3.165 1.00 0.00 C ATOM 64 OD1 ASP A 4 -5.092 -5.722 2.446 1.00 0.00 O ATOM 65 OD2 ASP A 4 -4.542 -6.614 4.419 1.00 0.00 O ATOM 0 H ASP A 4 -2.532 -8.515 0.672 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.388 -5.798 0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.207 -8.099 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.247 -6.853 3.302 1.00 0.00 H new ATOM 71 N LEU A 5 -0.236 -6.549 1.019 1.00 0.00 N ATOM 72 CA LEU A 5 1.117 -6.028 1.113 1.00 0.00 C ATOM 73 C LEU A 5 1.256 -4.814 0.194 1.00 0.00 C ATOM 74 O LEU A 5 2.028 -3.899 0.479 1.00 0.00 O ATOM 75 CB LEU A 5 2.137 -7.133 0.830 1.00 0.00 C ATOM 76 CG LEU A 5 3.474 -7.014 1.564 1.00 0.00 C ATOM 77 CD1 LEU A 5 4.033 -8.396 1.914 1.00 0.00 C ATOM 78 CD2 LEU A 5 4.471 -6.181 0.755 1.00 0.00 C ATOM 0 H LEU A 5 -0.302 -7.502 0.661 1.00 0.00 H new ATOM 0 HA LEU A 5 1.324 -5.686 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.687 -8.091 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.334 -7.153 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 5 3.302 -6.489 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.984 -8.283 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.327 -8.922 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.187 -8.969 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.413 -6.112 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.644 -6.657 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.067 -5.180 0.600 1.00 0.00 H new ATOM 90 N ARG A 6 0.496 -4.842 -0.891 1.00 0.00 N ATOM 91 CA ARG A 6 0.526 -3.755 -1.855 1.00 0.00 C ATOM 92 C ARG A 6 -0.228 -2.541 -1.307 1.00 0.00 C ATOM 93 O ARG A 6 -0.018 -1.417 -1.763 1.00 0.00 O ATOM 94 CB ARG A 6 -0.103 -4.179 -3.184 1.00 0.00 C ATOM 95 CG ARG A 6 0.818 -3.841 -4.358 1.00 0.00 C ATOM 96 CD ARG A 6 0.049 -3.124 -5.469 1.00 0.00 C ATOM 97 NE ARG A 6 -0.532 -4.116 -6.402 1.00 0.00 N ATOM 98 CZ ARG A 6 0.198 -4.945 -7.178 1.00 0.00 C ATOM 99 NH1 ARG A 6 1.547 -4.909 -7.139 1.00 0.00 N ATOM 100 NH2 ARG A 6 -0.427 -5.791 -7.975 1.00 0.00 N ATOM 0 H ARG A 6 -0.145 -5.601 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 6 1.570 -3.493 -2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.303 -5.250 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.062 -3.677 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.637 -3.210 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.263 -4.755 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.742 -2.511 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.716 -2.451 -6.009 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.548 -4.177 -6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.022 -4.252 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.091 -5.539 -7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.447 -5.812 -7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.109 -6.424 -8.568 1.00 0.00 H new ATOM 114 N HIS A 7 -1.091 -2.809 -0.337 1.00 0.00 N ATOM 115 CA HIS A 7 -1.876 -1.752 0.277 1.00 0.00 C ATOM 116 C HIS A 7 -0.993 -0.940 1.225 1.00 0.00 C ATOM 117 O HIS A 7 -1.300 0.212 1.532 1.00 0.00 O ATOM 118 CB HIS A 7 -3.114 -2.327 0.968 1.00 0.00 C ATOM 119 CG HIS A 7 -4.420 -1.929 0.321 1.00 0.00 C ATOM 120 ND1 HIS A 7 -4.620 -1.961 -1.048 1.00 0.00 N ATOM 121 CD2 HIS A 7 -5.588 -1.489 0.870 1.00 0.00 C ATOM 122 CE1 HIS A 7 -5.855 -1.558 -1.300 1.00 0.00 C ATOM 123 NE2 HIS A 7 -6.454 -1.264 -0.110 1.00 0.00 N ATOM 0 H HIS A 7 -1.263 -3.742 0.038 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.242 -1.073 -0.493 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.041 -3.415 0.976 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.121 -2.001 2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.776 -1.348 1.924 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.309 -1.476 -2.276 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -7.410 -0.927 0.007 1.00 0.00 H new ATOM 131 N ALA A 8 0.087 -1.571 1.661 1.00 0.00 N ATOM 132 CA ALA A 8 1.018 -0.921 2.569 1.00 0.00 C ATOM 133 C ALA A 8 1.719 0.226 1.838 1.00 0.00 C ATOM 134 O ALA A 8 2.095 1.223 2.453 1.00 0.00 O ATOM 135 CB ALA A 8 2.006 -1.954 3.115 1.00 0.00 C ATOM 0 H ALA A 8 0.339 -2.525 1.403 1.00 0.00 H new ATOM 0 HA ALA A 8 0.488 -0.495 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.704 -1.466 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.461 -2.731 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.558 -2.401 2.289 1.00 0.00 H new ATOM 141 N PHE A 9 1.876 0.046 0.534 1.00 0.00 N ATOM 142 CA PHE A 9 2.526 1.054 -0.288 1.00 0.00 C ATOM 143 C PHE A 9 1.700 2.341 -0.331 1.00 0.00 C ATOM 144 O PHE A 9 2.237 3.419 -0.585 1.00 0.00 O ATOM 145 CB PHE A 9 2.628 0.479 -1.702 1.00 0.00 C ATOM 146 CG PHE A 9 4.002 -0.102 -2.039 1.00 0.00 C ATOM 147 CD1 PHE A 9 4.346 -1.339 -1.590 1.00 0.00 C ATOM 148 CD2 PHE A 9 4.880 0.618 -2.789 1.00 0.00 C ATOM 149 CE1 PHE A 9 5.622 -1.878 -1.904 1.00 0.00 C ATOM 150 CE2 PHE A 9 6.155 0.079 -3.103 1.00 0.00 C ATOM 151 CZ PHE A 9 6.499 -1.158 -2.653 1.00 0.00 C ATOM 0 H PHE A 9 1.565 -0.782 0.027 1.00 0.00 H new ATOM 0 HA PHE A 9 3.506 1.297 0.124 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.876 -0.301 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.390 1.264 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.649 -1.911 -0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.607 1.600 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.896 -2.860 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.851 0.650 -3.699 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.469 -1.568 -2.891 1.00 0.00 H new ATOM 161 N ARG A 10 0.408 2.187 -0.081 1.00 0.00 N ATOM 162 CA ARG A 10 -0.496 3.325 -0.089 1.00 0.00 C ATOM 163 C ARG A 10 -0.235 4.219 1.125 1.00 0.00 C ATOM 164 O ARG A 10 -0.558 5.406 1.107 1.00 0.00 O ATOM 165 CB ARG A 10 -1.956 2.868 -0.071 1.00 0.00 C ATOM 166 CG ARG A 10 -2.627 3.124 -1.422 1.00 0.00 C ATOM 167 CD ARG A 10 -3.350 4.471 -1.428 1.00 0.00 C ATOM 168 NE ARG A 10 -4.341 4.510 -2.527 1.00 0.00 N ATOM 169 CZ ARG A 10 -5.037 5.611 -2.879 1.00 0.00 C ATOM 170 NH1 ARG A 10 -4.857 6.776 -2.222 1.00 0.00 N ATOM 171 NH2 ARG A 10 -5.897 5.532 -3.878 1.00 0.00 N ATOM 0 H ARG A 10 -0.034 1.292 0.128 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.313 3.887 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.005 1.806 0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.497 3.397 0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.878 3.106 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.337 2.325 -1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.849 4.629 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.629 5.279 -1.549 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.508 3.651 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.190 6.830 -1.452 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.388 7.603 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.027 4.648 -4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.431 6.355 -4.157 1.00 0.00 H new ATOM 185 N SER A 11 0.348 3.615 2.150 1.00 0.00 N ATOM 186 CA SER A 11 0.656 4.343 3.370 1.00 0.00 C ATOM 187 C SER A 11 1.883 5.230 3.153 1.00 0.00 C ATOM 188 O SER A 11 2.149 6.133 3.947 1.00 0.00 O ATOM 189 CB SER A 11 0.895 3.383 4.538 1.00 0.00 C ATOM 190 OG SER A 11 1.219 4.076 5.740 1.00 0.00 O ATOM 0 H SER A 11 0.615 2.631 2.161 1.00 0.00 H new ATOM 0 HA SER A 11 -0.199 4.971 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.003 2.777 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.704 2.698 4.285 1.00 0.00 H new ATOM 0 HG SER A 11 1.631 4.938 5.520 1.00 0.00 H new ATOM 196 N MET A 12 2.598 4.945 2.075 1.00 0.00 N ATOM 197 CA MET A 12 3.790 5.707 1.744 1.00 0.00 C ATOM 198 C MET A 12 3.438 6.939 0.909 1.00 0.00 C ATOM 199 O MET A 12 4.263 7.836 0.741 1.00 0.00 O ATOM 200 CB MET A 12 4.762 4.821 0.963 1.00 0.00 C ATOM 201 CG MET A 12 6.041 4.571 1.764 1.00 0.00 C ATOM 202 SD MET A 12 7.278 5.784 1.335 1.00 0.00 S ATOM 203 CE MET A 12 7.966 6.111 2.949 1.00 0.00 C ATOM 0 H MET A 12 2.375 4.196 1.419 1.00 0.00 H new ATOM 0 HA MET A 12 4.255 6.041 2.672 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.284 3.870 0.728 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.010 5.296 0.014 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.827 4.620 2.832 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.417 3.568 1.560 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.759 6.853 2.863 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.185 6.490 3.608 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.375 5.190 3.364 1.00 0.00 H new ATOM 213 N PHE A 13 2.212 6.945 0.407 1.00 0.00 N ATOM 214 CA PHE A 13 1.741 8.052 -0.407 1.00 0.00 C ATOM 215 C PHE A 13 1.666 9.343 0.412 1.00 0.00 C ATOM 216 O PHE A 13 2.187 10.377 -0.003 1.00 0.00 O ATOM 217 CB PHE A 13 0.336 7.687 -0.891 1.00 0.00 C ATOM 218 CG PHE A 13 0.170 7.730 -2.411 1.00 0.00 C ATOM 219 CD1 PHE A 13 0.464 6.633 -3.159 1.00 0.00 C ATOM 220 CD2 PHE A 13 -0.273 8.866 -3.014 1.00 0.00 C ATOM 221 CE1 PHE A 13 0.310 6.674 -4.570 1.00 0.00 C ATOM 222 CE2 PHE A 13 -0.427 8.906 -4.425 1.00 0.00 C ATOM 223 CZ PHE A 13 -0.133 7.809 -5.173 1.00 0.00 C ATOM 0 H PHE A 13 1.530 6.200 0.549 1.00 0.00 H new ATOM 0 HA PHE A 13 2.426 8.220 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.090 6.686 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.382 8.371 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.815 5.731 -2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.507 9.737 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.545 5.803 -5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.778 9.808 -4.904 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.251 7.839 -6.246 1.00 0.00 H new ATOM 233 N PRO A 14 0.998 9.236 1.592 1.00 0.00 N ATOM 234 CA PRO A 14 0.849 10.381 2.473 1.00 0.00 C ATOM 235 C PRO A 14 2.159 10.686 3.204 1.00 0.00 C ATOM 236 O PRO A 14 2.376 11.810 3.653 1.00 0.00 O ATOM 237 CB PRO A 14 -0.283 10.007 3.416 1.00 0.00 C ATOM 238 CG PRO A 14 -0.413 8.495 3.331 1.00 0.00 C ATOM 239 CD PRO A 14 0.369 8.027 2.116 1.00 0.00 C ATOM 0 HA PRO A 14 0.614 11.298 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.063 10.323 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.212 10.496 3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.027 8.027 4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.461 8.206 3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.114 7.279 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.287 7.569 1.375 1.00 0.00 H new ATOM 247 N SER A 15 2.997 9.665 3.298 1.00 0.00 N ATOM 248 CA SER A 15 4.280 9.809 3.966 1.00 0.00 C ATOM 249 C SER A 15 5.323 10.347 2.984 1.00 0.00 C ATOM 250 O SER A 15 6.308 10.959 3.393 1.00 0.00 O ATOM 251 CB SER A 15 4.745 8.478 4.558 1.00 0.00 C ATOM 252 OG SER A 15 4.042 8.150 5.754 1.00 0.00 O ATOM 0 H SER A 15 2.813 8.734 2.923 1.00 0.00 H new ATOM 0 HA SER A 15 4.162 10.518 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.601 7.685 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.813 8.528 4.768 1.00 0.00 H new ATOM 0 HG SER A 15 4.367 7.292 6.100 1.00 0.00 H new ATOM 258 N SER A 16 5.071 10.098 1.708 1.00 0.00 N ATOM 259 CA SER A 16 5.976 10.549 0.665 1.00 0.00 C ATOM 260 C SER A 16 5.708 12.021 0.340 1.00 0.00 C ATOM 261 O SER A 16 6.482 12.652 -0.377 1.00 0.00 O ATOM 262 CB SER A 16 5.835 9.694 -0.596 1.00 0.00 C ATOM 263 OG SER A 16 6.659 10.167 -1.658 1.00 0.00 O ATOM 0 H SER A 16 4.253 9.590 1.372 1.00 0.00 H new ATOM 0 HA SER A 16 6.997 10.443 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.098 8.662 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.794 9.693 -0.918 1.00 0.00 H new ATOM 0 HG SER A 16 6.951 11.082 -1.463 1.00 0.00 H new ATOM 269 N GLU A 17 4.609 12.523 0.883 1.00 0.00 N ATOM 270 CA GLU A 17 4.229 13.908 0.659 1.00 0.00 C ATOM 271 C GLU A 17 4.839 14.806 1.739 1.00 0.00 C ATOM 272 O GLU A 17 5.759 15.573 1.464 1.00 0.00 O ATOM 273 CB GLU A 17 2.708 14.059 0.616 1.00 0.00 C ATOM 274 CG GLU A 17 2.304 15.336 -0.124 1.00 0.00 C ATOM 275 CD GLU A 17 1.246 15.042 -1.189 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.144 13.900 -1.662 1.00 0.00 O ATOM 277 OE2 GLU A 17 0.514 16.049 -1.523 1.00 0.00 O ATOM 0 H GLU A 17 3.969 11.996 1.478 1.00 0.00 H new ATOM 0 HA GLU A 17 4.619 14.220 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.267 13.193 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.313 14.082 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.916 16.065 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.182 15.782 -0.592 1.00 0.00 H new TER 285 GLU A 17