USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 138 hydrogens (4 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 NoAdj-H: A 2 SEP H2 : A 2 SEP N : A 1 ARG C :(H bumps) USER MOD Set 1.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 16 SER OG : rot -24:sc= 0.0505 USER MOD Single : A 1 ARG N :NH3+ 146:sc= 0.0547 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.125 X(o=-0.12,f=0.012) 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 ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.660 1.976 -0.773 1.00 61.33 N ATOM 2 CA ARG A 1 3.046 0.672 -0.247 1.00 4.10 C ATOM 3 C ARG A 1 4.558 0.590 -0.054 1.00 72.21 C ATOM 4 O ARG A 1 5.272 1.483 -0.506 1.00 41.34 O ATOM 5 CB ARG A 1 2.580 -0.440 -1.188 1.00 63.12 C ATOM 6 CG ARG A 1 1.467 -1.299 -0.612 1.00 15.12 C ATOM 7 CD ARG A 1 0.108 -0.638 -0.785 1.00 33.54 C ATOM 8 NE ARG A 1 -0.962 -1.417 -0.166 1.00 21.01 N ATOM 9 CZ ARG A 1 -2.241 -1.059 -0.192 1.00 61.32 C ATOM 10 NH1 ARG A 1 -2.608 0.058 -0.804 1.00 3.53 N ATOM 11 NH2 ARG A 1 -3.156 -1.821 0.394 1.00 52.33 N ATOM 0 H1 ARG A 1 1.844 1.866 -1.408 1.00 61.33 H new ATOM 0 H2 ARG A 1 2.405 2.606 0.014 1.00 61.33 H new ATOM 0 H3 ARG A 1 3.456 2.387 -1.301 1.00 61.33 H new ATOM 0 HA ARG A 1 2.565 0.542 0.723 1.00 4.10 H new ATOM 0 HB2 ARG A 1 2.237 0.006 -2.122 1.00 63.12 H new ATOM 0 HB3 ARG A 1 3.430 -1.077 -1.432 1.00 63.12 H new ATOM 0 HG2 ARG A 1 1.465 -2.272 -1.104 1.00 15.12 H new ATOM 0 HG3 ARG A 1 1.654 -1.477 0.447 1.00 15.12 H new ATOM 0 HD2 ARG A 1 0.131 0.359 -0.346 1.00 33.54 H new ATOM 0 HD3 ARG A 1 -0.102 -0.513 -1.847 1.00 33.54 H new ATOM 0 HE ARG A 1 -0.713 -2.283 0.312 1.00 21.01 H new ATOM 0 HH11 ARG A 1 -1.908 0.645 -1.257 1.00 3.53 H new ATOM 0 HH12 ARG A 1 -3.591 0.330 -0.822 1.00 3.53 H new ATOM 0 HH21 ARG A 1 -2.877 -2.682 0.865 1.00 52.33 H new ATOM 0 HH22 ARG A 1 -4.138 -1.546 0.374 1.00 52.33 H new HETATM 25 N SEP A 2 5.006 -0.468 0.606 1.00 44.21 N HETATM 26 CA SEP A 2 6.466 -0.656 0.856 1.00 2.32 C HETATM 27 CB SEP A 2 6.690 -1.347 2.234 1.00 43.15 C HETATM 28 OG SEP A 2 6.504 -2.778 2.132 1.00 24.53 O HETATM 29 C SEP A 2 7.093 -1.357 -0.321 1.00 21.11 C HETATM 30 O SEP A 2 8.308 -1.362 -0.518 1.00 63.32 O HETATM 31 P SEP A 2 6.077 -3.687 3.401 1.00 32.45 P HETATM 32 O1P SEP A 2 6.986 -3.353 4.579 1.00 64.15 O HETATM 33 O2P SEP A 2 4.638 -3.310 3.772 1.00 63.24 O HETATM 34 O3P SEP A 2 6.159 -5.167 3.046 1.00 50.42 O HETATM 0 HB3 SEP A 2 7.696 -1.132 2.593 1.00 43.15 H new HETATM 0 HB2 SEP A 2 5.995 -0.938 2.967 1.00 43.15 H new HETATM 0 HA SEP A 2 6.978 0.303 0.934 1.00 2.32 H new HETATM 0 H SEP A 2 4.326 -0.780 1.299 1.00 44.21 H new ATOM 39 N LYS A 3 6.228 -1.967 -1.125 1.00 2.25 N ATOM 40 CA LYS A 3 6.666 -2.692 -2.311 1.00 40.13 C ATOM 41 C LYS A 3 6.890 -1.738 -3.480 1.00 53.13 C ATOM 42 O LYS A 3 7.369 -2.141 -4.540 1.00 24.21 O ATOM 43 CB LYS A 3 5.633 -3.753 -2.696 1.00 34.11 C ATOM 44 CG LYS A 3 4.471 -3.205 -3.506 1.00 72.24 C ATOM 45 CD LYS A 3 3.344 -4.218 -3.621 1.00 62.34 C ATOM 46 CE LYS A 3 2.847 -4.339 -5.054 1.00 2.11 C ATOM 47 NZ LYS A 3 2.444 -5.734 -5.386 1.00 5.44 N ATOM 0 H LYS A 3 5.219 -1.973 -0.976 1.00 2.25 H new ATOM 0 HA LYS A 3 7.611 -3.182 -2.078 1.00 40.13 H new ATOM 0 HB2 LYS A 3 6.127 -4.537 -3.270 1.00 34.11 H new ATOM 0 HB3 LYS A 3 5.246 -4.217 -1.789 1.00 34.11 H new ATOM 0 HG2 LYS A 3 4.097 -2.295 -3.037 1.00 72.24 H new ATOM 0 HG3 LYS A 3 4.818 -2.931 -4.502 1.00 72.24 H new ATOM 0 HD2 LYS A 3 3.691 -5.191 -3.272 1.00 62.34 H new ATOM 0 HD3 LYS A 3 2.519 -3.922 -2.973 1.00 62.34 H new ATOM 0 HE2 LYS A 3 1.998 -3.671 -5.202 1.00 2.11 H new ATOM 0 HE3 LYS A 3 3.631 -4.015 -5.739 1.00 2.11 H new ATOM 0 HZ1 LYS A 3 2.112 -5.774 -6.371 1.00 5.44 H new ATOM 0 HZ2 LYS A 3 3.260 -6.368 -5.270 1.00 5.44 H new ATOM 0 HZ3 LYS A 3 1.679 -6.035 -4.750 1.00 5.44 H new ATOM 61 N ASP A 4 6.541 -0.472 -3.280 1.00 14.13 N ATOM 62 CA ASP A 4 6.706 0.540 -4.317 1.00 12.25 C ATOM 63 C ASP A 4 8.180 0.880 -4.515 1.00 32.35 C ATOM 64 O ASP A 4 8.570 1.419 -5.551 1.00 70.00 O ATOM 65 CB ASP A 4 5.923 1.803 -3.955 1.00 53.44 C ATOM 66 CG ASP A 4 4.757 2.049 -4.893 1.00 12.53 C ATOM 67 OD1 ASP A 4 4.989 2.145 -6.116 1.00 75.23 O ATOM 68 OD2 ASP A 4 3.612 2.146 -4.403 1.00 24.14 O ATOM 0 H ASP A 4 6.142 -0.122 -2.409 1.00 14.13 H new ATOM 0 HA ASP A 4 6.317 0.135 -5.251 1.00 12.25 H new ATOM 0 HB2 ASP A 4 5.552 1.717 -2.934 1.00 53.44 H new ATOM 0 HB3 ASP A 4 6.593 2.662 -3.980 1.00 53.44 H new ATOM 73 N LEU A 5 8.994 0.562 -3.514 1.00 63.24 N ATOM 74 CA LEU A 5 10.426 0.834 -3.578 1.00 21.03 C ATOM 75 C LEU A 5 11.078 0.058 -4.718 1.00 11.31 C ATOM 76 O LEU A 5 12.177 0.392 -5.160 1.00 43.20 O ATOM 77 CB LEU A 5 11.094 0.469 -2.251 1.00 14.35 C ATOM 78 CG LEU A 5 11.867 1.592 -1.558 1.00 30.35 C ATOM 79 CD1 LEU A 5 12.054 1.278 -0.081 1.00 40.41 C ATOM 80 CD2 LEU A 5 13.213 1.808 -2.233 1.00 41.14 C ATOM 0 H LEU A 5 8.687 0.116 -2.649 1.00 63.24 H new ATOM 0 HA LEU A 5 10.560 1.899 -3.765 1.00 21.03 H new ATOM 0 HB2 LEU A 5 10.325 0.108 -1.567 1.00 14.35 H new ATOM 0 HB3 LEU A 5 11.778 -0.361 -2.428 1.00 14.35 H new ATOM 0 HG LEU A 5 11.288 2.512 -1.643 1.00 30.35 H new ATOM 0 HD11 LEU A 5 12.606 2.088 0.396 1.00 40.41 H new ATOM 0 HD12 LEU A 5 11.079 1.174 0.395 1.00 40.41 H new ATOM 0 HD13 LEU A 5 12.611 0.347 0.025 1.00 40.41 H new ATOM 0 HD21 LEU A 5 13.749 2.611 -1.727 1.00 41.14 H new ATOM 0 HD22 LEU A 5 13.798 0.890 -2.179 1.00 41.14 H new ATOM 0 HD23 LEU A 5 13.057 2.078 -3.277 1.00 41.14 H new ATOM 92 N ARG A 6 10.392 -0.977 -5.191 1.00 14.13 N ATOM 93 CA ARG A 6 10.903 -1.799 -6.280 1.00 64.33 C ATOM 94 C ARG A 6 10.782 -1.070 -7.615 1.00 63.01 C ATOM 95 O ARG A 6 11.424 -1.442 -8.598 1.00 41.42 O ATOM 96 CB ARG A 6 10.148 -3.128 -6.343 1.00 22.33 C ATOM 97 CG ARG A 6 10.857 -4.266 -5.625 1.00 54.42 C ATOM 98 CD ARG A 6 10.985 -5.492 -6.515 1.00 50.24 C ATOM 99 NE ARG A 6 9.843 -6.392 -6.376 1.00 2.44 N ATOM 100 CZ ARG A 6 9.634 -7.154 -5.308 1.00 4.42 C ATOM 101 NH1 ARG A 6 10.486 -7.124 -4.292 1.00 33.42 N ATOM 102 NH2 ARG A 6 8.572 -7.947 -5.255 1.00 11.33 N ATOM 0 H ARG A 6 9.480 -1.266 -4.837 1.00 14.13 H new ATOM 0 HA ARG A 6 11.957 -1.997 -6.087 1.00 64.33 H new ATOM 0 HB2 ARG A 6 9.158 -2.995 -5.906 1.00 22.33 H new ATOM 0 HB3 ARG A 6 10.001 -3.404 -7.387 1.00 22.33 H new ATOM 0 HG2 ARG A 6 11.848 -3.938 -5.311 1.00 54.42 H new ATOM 0 HG3 ARG A 6 10.306 -4.527 -4.721 1.00 54.42 H new ATOM 0 HD2 ARG A 6 11.074 -5.177 -7.555 1.00 50.24 H new ATOM 0 HD3 ARG A 6 11.901 -6.027 -6.265 1.00 50.24 H new ATOM 0 HE ARG A 6 9.169 -6.438 -7.141 1.00 2.44 H new ATOM 0 HH11 ARG A 6 11.303 -6.515 -4.330 1.00 33.42 H new ATOM 0 HH12 ARG A 6 10.324 -7.710 -3.473 1.00 33.42 H new ATOM 0 HH21 ARG A 6 7.915 -7.972 -6.035 1.00 11.33 H new ATOM 0 HH22 ARG A 6 8.413 -8.532 -4.435 1.00 11.33 H new ATOM 116 N HIS A 7 9.955 -0.030 -7.643 1.00 35.24 N ATOM 117 CA HIS A 7 9.749 0.752 -8.857 1.00 21.43 C ATOM 118 C HIS A 7 10.960 1.634 -9.146 1.00 73.11 C ATOM 119 O HIS A 7 11.120 2.140 -10.256 1.00 71.45 O ATOM 120 CB HIS A 7 8.494 1.615 -8.726 1.00 72.35 C ATOM 121 CG HIS A 7 7.803 1.868 -10.031 1.00 44.41 C ATOM 122 ND1 HIS A 7 6.501 1.491 -10.279 1.00 55.01 N ATOM 123 CD2 HIS A 7 8.242 2.467 -11.163 1.00 11.40 C ATOM 124 CE1 HIS A 7 6.168 1.845 -11.508 1.00 0.35 C ATOM 125 NE2 HIS A 7 7.207 2.440 -12.065 1.00 40.23 N ATOM 0 H HIS A 7 9.416 0.291 -6.839 1.00 35.24 H new ATOM 0 HA HIS A 7 9.619 0.060 -9.689 1.00 21.43 H new ATOM 0 HB2 HIS A 7 7.797 1.128 -8.044 1.00 72.35 H new ATOM 0 HB3 HIS A 7 8.765 2.570 -8.276 1.00 72.35 H new ATOM 0 HD2 HIS A 7 9.223 2.888 -11.326 1.00 11.40 H new ATOM 0 HE1 HIS A 7 5.210 1.676 -11.977 1.00 0.35 H new ATOM 0 HE2 HIS A 7 7.236 2.818 -13.012 1.00 40.23 H new ATOM 133 N ALA A 8 11.808 1.815 -8.139 1.00 63.44 N ATOM 134 CA ALA A 8 13.004 2.635 -8.286 1.00 64.44 C ATOM 135 C ALA A 8 14.067 1.913 -9.108 1.00 40.04 C ATOM 136 O ALA A 8 14.979 2.539 -9.649 1.00 60.11 O ATOM 137 CB ALA A 8 13.557 3.011 -6.920 1.00 2.41 C ATOM 0 H ALA A 8 11.689 1.405 -7.213 1.00 63.44 H new ATOM 0 HA ALA A 8 12.727 3.546 -8.817 1.00 64.44 H new ATOM 0 HB1 ALA A 8 14.450 3.623 -7.045 1.00 2.41 H new ATOM 0 HB2 ALA A 8 12.806 3.574 -6.366 1.00 2.41 H new ATOM 0 HB3 ALA A 8 13.812 2.106 -6.369 1.00 2.41 H new ATOM 143 N PHE A 9 13.944 0.593 -9.198 1.00 32.10 N ATOM 144 CA PHE A 9 14.895 -0.214 -9.953 1.00 21.30 C ATOM 145 C PHE A 9 14.938 0.221 -11.415 1.00 34.21 C ATOM 146 O PHE A 9 15.973 0.120 -12.074 1.00 33.13 O ATOM 147 CB PHE A 9 14.525 -1.696 -9.861 1.00 22.13 C ATOM 148 CG PHE A 9 15.615 -2.551 -9.281 1.00 24.14 C ATOM 149 CD1 PHE A 9 15.934 -2.471 -7.935 1.00 24.14 C ATOM 150 CD2 PHE A 9 16.321 -3.435 -10.081 1.00 73.10 C ATOM 151 CE1 PHE A 9 16.938 -3.256 -7.399 1.00 33.14 C ATOM 152 CE2 PHE A 9 17.325 -4.223 -9.550 1.00 72.05 C ATOM 153 CZ PHE A 9 17.633 -4.134 -8.207 1.00 71.02 C ATOM 0 H PHE A 9 13.195 0.059 -8.757 1.00 32.10 H new ATOM 0 HA PHE A 9 15.884 -0.066 -9.519 1.00 21.30 H new ATOM 0 HB2 PHE A 9 13.628 -1.801 -9.251 1.00 22.13 H new ATOM 0 HB3 PHE A 9 14.277 -2.063 -10.857 1.00 22.13 H new ATOM 0 HD1 PHE A 9 15.392 -1.788 -7.298 1.00 24.14 H new ATOM 0 HD2 PHE A 9 16.084 -3.509 -11.132 1.00 73.10 H new ATOM 0 HE1 PHE A 9 17.179 -3.183 -6.349 1.00 33.14 H new ATOM 0 HE2 PHE A 9 17.868 -4.908 -10.185 1.00 72.05 H new ATOM 0 HZ PHE A 9 18.416 -4.750 -7.789 1.00 71.02 H new ATOM 163 N ARG A 10 13.805 0.704 -11.915 1.00 43.24 N ATOM 164 CA ARG A 10 13.712 1.153 -13.299 1.00 71.03 C ATOM 165 C ARG A 10 14.334 2.537 -13.465 1.00 75.43 C ATOM 166 O ARG A 10 14.898 2.853 -14.512 1.00 71.15 O ATOM 167 CB ARG A 10 12.251 1.181 -13.751 1.00 54.12 C ATOM 168 CG ARG A 10 12.034 0.618 -15.146 1.00 55.02 C ATOM 169 CD ARG A 10 10.709 -0.122 -15.248 1.00 62.42 C ATOM 170 NE ARG A 10 10.828 -1.517 -14.830 1.00 42.23 N ATOM 171 CZ ARG A 10 9.814 -2.375 -14.837 1.00 2.14 C ATOM 172 NH1 ARG A 10 8.613 -1.983 -15.237 1.00 74.44 N ATOM 173 NH2 ARG A 10 10.001 -3.628 -14.442 1.00 3.22 N ATOM 0 H ARG A 10 12.940 0.794 -11.383 1.00 43.24 H new ATOM 0 HA ARG A 10 14.264 0.449 -13.921 1.00 71.03 H new ATOM 0 HB2 ARG A 10 11.649 0.613 -13.042 1.00 54.12 H new ATOM 0 HB3 ARG A 10 11.891 2.209 -13.723 1.00 54.12 H new ATOM 0 HG2 ARG A 10 12.056 1.429 -15.874 1.00 55.02 H new ATOM 0 HG3 ARG A 10 12.850 -0.059 -15.397 1.00 55.02 H new ATOM 0 HD2 ARG A 10 9.965 0.380 -14.629 1.00 62.42 H new ATOM 0 HD3 ARG A 10 10.349 -0.081 -16.276 1.00 62.42 H new ATOM 0 HE ARG A 10 11.739 -1.850 -14.516 1.00 42.23 H new ATOM 0 HH11 ARG A 10 8.466 -1.020 -15.540 1.00 74.44 H new ATOM 0 HH12 ARG A 10 7.836 -2.644 -15.241 1.00 74.44 H new ATOM 0 HH21 ARG A 10 10.924 -3.933 -14.133 1.00 3.22 H new ATOM 0 HH22 ARG A 10 9.222 -4.286 -14.448 1.00 3.22 H new ATOM 187 N SER A 11 14.225 3.357 -12.425 1.00 41.12 N ATOM 188 CA SER A 11 14.772 4.708 -12.457 1.00 45.31 C ATOM 189 C SER A 11 16.292 4.682 -12.325 1.00 62.00 C ATOM 190 O SER A 11 16.979 5.610 -12.750 1.00 40.41 O ATOM 191 CB SER A 11 14.166 5.554 -11.335 1.00 62.53 C ATOM 192 OG SER A 11 13.392 6.618 -11.860 1.00 44.32 O ATOM 0 H SER A 11 13.763 3.109 -11.550 1.00 41.12 H new ATOM 0 HA SER A 11 14.515 5.154 -13.418 1.00 45.31 H new ATOM 0 HB2 SER A 11 13.543 4.926 -10.698 1.00 62.53 H new ATOM 0 HB3 SER A 11 14.962 5.954 -10.707 1.00 62.53 H new ATOM 0 HG SER A 11 13.014 7.142 -11.123 1.00 44.32 H new ATOM 198 N MET A 12 16.810 3.611 -11.732 1.00 72.04 N ATOM 199 CA MET A 12 18.248 3.462 -11.545 1.00 4.32 C ATOM 200 C MET A 12 18.937 3.125 -12.864 1.00 14.03 C ATOM 201 O MET A 12 20.111 3.439 -13.061 1.00 15.51 O ATOM 202 CB MET A 12 18.540 2.373 -10.511 1.00 34.20 C ATOM 203 CG MET A 12 19.984 2.356 -10.036 1.00 75.23 C ATOM 204 SD MET A 12 20.498 0.736 -9.436 1.00 21.55 S ATOM 205 CE MET A 12 19.695 0.697 -7.835 1.00 4.42 C ATOM 0 H MET A 12 16.255 2.834 -11.373 1.00 72.04 H new ATOM 0 HA MET A 12 18.641 4.412 -11.183 1.00 4.32 H new ATOM 0 HB2 MET A 12 17.885 2.515 -9.651 1.00 34.20 H new ATOM 0 HB3 MET A 12 18.296 1.401 -10.940 1.00 34.20 H new ATOM 0 HG2 MET A 12 20.636 2.659 -10.855 1.00 75.23 H new ATOM 0 HG3 MET A 12 20.109 3.090 -9.240 1.00 75.23 H new ATOM 0 HE1 MET A 12 19.919 -0.247 -7.338 1.00 4.42 H new ATOM 0 HE2 MET A 12 20.060 1.523 -7.225 1.00 4.42 H new ATOM 0 HE3 MET A 12 18.617 0.791 -7.966 1.00 4.42 H new ATOM 215 N PHE A 13 18.199 2.483 -13.764 1.00 0.13 N ATOM 216 CA PHE A 13 18.739 2.102 -15.063 1.00 42.15 C ATOM 217 C PHE A 13 18.677 3.271 -16.042 1.00 42.21 C ATOM 218 O PHE A 13 17.953 4.246 -15.839 1.00 70.11 O ATOM 219 CB PHE A 13 17.969 0.907 -15.629 1.00 52.33 C ATOM 220 CG PHE A 13 18.591 -0.419 -15.297 1.00 12.21 C ATOM 221 CD1 PHE A 13 18.818 -0.781 -13.979 1.00 30.40 C ATOM 222 CD2 PHE A 13 18.948 -1.303 -16.302 1.00 73.01 C ATOM 223 CE1 PHE A 13 19.391 -2.001 -13.671 1.00 11.35 C ATOM 224 CE2 PHE A 13 19.521 -2.524 -16.000 1.00 34.13 C ATOM 225 CZ PHE A 13 19.741 -2.874 -14.682 1.00 4.40 C ATOM 0 H PHE A 13 17.226 2.216 -13.617 1.00 0.13 H new ATOM 0 HA PHE A 13 19.783 1.821 -14.926 1.00 42.15 H new ATOM 0 HB2 PHE A 13 16.949 0.927 -15.245 1.00 52.33 H new ATOM 0 HB3 PHE A 13 17.903 1.007 -16.712 1.00 52.33 H new ATOM 0 HD1 PHE A 13 18.545 -0.103 -13.184 1.00 30.40 H new ATOM 0 HD2 PHE A 13 18.777 -1.035 -17.334 1.00 73.01 H new ATOM 0 HE1 PHE A 13 19.565 -2.271 -12.640 1.00 11.35 H new ATOM 0 HE2 PHE A 13 19.796 -3.203 -16.793 1.00 34.13 H new ATOM 0 HZ PHE A 13 20.186 -3.829 -14.443 1.00 4.40 H new ATOM 235 N PRO A 14 19.456 3.173 -17.130 1.00 54.31 N ATOM 236 CA PRO A 14 19.508 4.213 -18.162 1.00 74.23 C ATOM 237 C PRO A 14 18.258 4.225 -19.037 1.00 24.43 C ATOM 238 O PRO A 14 18.086 5.107 -19.877 1.00 50.05 O ATOM 239 CB PRO A 14 20.736 3.829 -18.991 1.00 4.15 C ATOM 240 CG PRO A 14 20.876 2.358 -18.801 1.00 44.14 C ATOM 241 CD PRO A 14 20.344 2.040 -17.437 1.00 23.14 C ATOM 0 HA PRO A 14 19.563 5.212 -17.731 1.00 74.23 H new ATOM 0 HB2 PRO A 14 20.598 4.081 -20.042 1.00 4.15 H new ATOM 0 HB3 PRO A 14 21.625 4.359 -18.650 1.00 4.15 H new ATOM 0 HG2 PRO A 14 20.322 1.816 -19.567 1.00 44.14 H new ATOM 0 HG3 PRO A 14 21.920 2.055 -18.888 1.00 44.14 H new ATOM 0 HD2 PRO A 14 19.802 1.094 -17.430 1.00 23.14 H new ATOM 0 HD3 PRO A 14 21.147 1.952 -16.705 1.00 23.14 H new ATOM 249 N SER A 15 17.389 3.240 -18.833 1.00 24.25 N ATOM 250 CA SER A 15 16.157 3.135 -19.605 1.00 41.41 C ATOM 251 C SER A 15 15.182 4.246 -19.226 1.00 3.13 C ATOM 252 O SER A 15 14.206 4.498 -19.931 1.00 75.53 O ATOM 253 CB SER A 15 15.504 1.770 -19.381 1.00 62.04 C ATOM 254 OG SER A 15 15.642 0.945 -20.526 1.00 12.34 O ATOM 0 H SER A 15 17.516 2.503 -18.139 1.00 24.25 H new ATOM 0 HA SER A 15 16.409 3.240 -20.660 1.00 41.41 H new ATOM 0 HB2 SER A 15 15.960 1.282 -18.520 1.00 62.04 H new ATOM 0 HB3 SER A 15 14.447 1.902 -19.149 1.00 62.04 H new ATOM 0 HG SER A 15 15.218 0.078 -20.357 1.00 12.34 H new ATOM 260 N SER A 16 15.456 4.908 -18.106 1.00 33.32 N ATOM 261 CA SER A 16 14.602 5.989 -17.629 1.00 52.42 C ATOM 262 C SER A 16 14.867 7.274 -18.408 1.00 3.44 C ATOM 263 O SER A 16 14.050 8.194 -18.404 1.00 2.44 O ATOM 264 CB SER A 16 14.831 6.228 -16.135 1.00 51.05 C ATOM 265 OG SER A 16 13.892 7.154 -15.617 1.00 41.31 O ATOM 0 H SER A 16 16.263 4.714 -17.512 1.00 33.32 H new ATOM 0 HA SER A 16 13.564 5.696 -17.787 1.00 52.42 H new ATOM 0 HB2 SER A 16 14.751 5.284 -15.596 1.00 51.05 H new ATOM 0 HB3 SER A 16 15.842 6.602 -15.974 1.00 51.05 H new ATOM 0 HG SER A 16 13.562 7.725 -16.342 1.00 41.31 H new ATOM 271 N GLU A 17 16.016 7.328 -19.074 1.00 41.44 N ATOM 272 CA GLU A 17 16.390 8.501 -19.857 1.00 21.42 C ATOM 273 C GLU A 17 15.631 8.536 -21.180 1.00 41.22 C ATOM 274 O GLU A 17 14.431 8.805 -21.211 1.00 52.33 O ATOM 275 CB GLU A 17 17.897 8.506 -20.120 1.00 63.24 C ATOM 276 CG GLU A 17 18.737 8.538 -18.854 1.00 55.52 C ATOM 277 CD GLU A 17 18.362 9.685 -17.935 1.00 74.12 C ATOM 278 OE1 GLU A 17 18.828 10.818 -18.178 1.00 73.51 O ATOM 279 OE2 GLU A 17 17.601 9.449 -16.973 1.00 23.31 O ATOM 0 H GLU A 17 16.703 6.575 -19.087 1.00 41.44 H new ATOM 0 HA GLU A 17 16.126 9.389 -19.283 1.00 21.42 H new ATOM 0 HB2 GLU A 17 18.159 7.619 -20.697 1.00 63.24 H new ATOM 0 HB3 GLU A 17 18.147 9.371 -20.734 1.00 63.24 H new ATOM 0 HG2 GLU A 17 18.619 7.595 -18.320 1.00 55.52 H new ATOM 0 HG3 GLU A 17 19.790 8.622 -19.123 1.00 55.52 H new TER 286 GLU A 17