USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=3 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 -160:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.0047) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0403 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.195 2.544 0.493 1.00 30.45 N ATOM 2 CA ARG A 1 2.610 1.328 -0.195 1.00 65.24 C ATOM 3 C ARG A 1 4.127 1.168 -0.150 1.00 3.34 C ATOM 4 O ARG A 1 4.835 1.955 -0.777 1.00 73.34 O ATOM 5 CB ARG A 1 2.133 1.351 -1.649 1.00 1.14 C ATOM 6 CG ARG A 1 0.875 0.533 -1.890 1.00 11.05 C ATOM 7 CD ARG A 1 0.358 0.711 -3.309 1.00 21.34 C ATOM 8 NE ARG A 1 -0.874 -0.038 -3.540 1.00 60.43 N ATOM 9 CZ ARG A 1 -0.905 -1.341 -3.797 1.00 24.54 C ATOM 10 NH1 ARG A 1 0.223 -2.036 -3.853 1.00 43.04 N ATOM 11 NH2 ARG A 1 -2.065 -1.952 -3.996 1.00 74.53 N ATOM 0 H1 ARG A 1 1.160 2.631 0.449 1.00 30.45 H new ATOM 0 H2 ARG A 1 2.497 2.501 1.487 1.00 30.45 H new ATOM 0 H3 ARG A 1 2.632 3.369 0.034 1.00 30.45 H new ATOM 0 HA ARG A 1 2.157 0.479 0.316 1.00 65.24 H new ATOM 0 HB2 ARG A 1 1.947 2.383 -1.945 1.00 1.14 H new ATOM 0 HB3 ARG A 1 2.930 0.974 -2.290 1.00 1.14 H new ATOM 0 HG2 ARG A 1 1.085 -0.521 -1.708 1.00 11.05 H new ATOM 0 HG3 ARG A 1 0.104 0.832 -1.180 1.00 11.05 H new ATOM 0 HD2 ARG A 1 0.180 1.769 -3.500 1.00 21.34 H new ATOM 0 HD3 ARG A 1 1.120 0.383 -4.016 1.00 21.34 H new ATOM 0 HE ARG A 1 -1.759 0.467 -3.502 1.00 60.43 H new ATOM 0 HH11 ARG A 1 1.117 -1.570 -3.699 1.00 43.04 H new ATOM 0 HH12 ARG A 1 0.196 -3.036 -4.050 1.00 43.04 H new ATOM 0 HH21 ARG A 1 -2.935 -1.421 -3.952 1.00 74.53 H new ATOM 0 HH22 ARG A 1 -2.087 -2.953 -4.193 1.00 74.53 H new HETATM 25 N SEP A 2 4.588 0.166 0.584 1.00 20.03 N HETATM 26 CA SEP A 2 6.054 -0.088 0.705 1.00 63.31 C HETATM 27 CB SEP A 2 6.391 -0.623 2.128 1.00 63.20 C HETATM 28 OG SEP A 2 5.944 -1.990 2.288 1.00 64.31 O HETATM 29 C SEP A 2 6.509 -0.966 -0.433 1.00 13.25 C HETATM 30 O SEP A 2 7.692 -1.255 -0.614 1.00 34.34 O HETATM 31 P SEP A 2 5.954 -2.742 3.722 1.00 53.45 P HETATM 32 O1P SEP A 2 4.520 -3.091 4.106 1.00 24.42 O HETATM 33 O2P SEP A 2 6.747 -4.042 3.552 1.00 13.15 O HETATM 34 O3P SEP A 2 6.607 -1.859 4.778 1.00 32.41 O HETATM 0 HB3 SEP A 2 7.466 -0.566 2.296 1.00 63.20 H new HETATM 0 HB2 SEP A 2 5.917 0.009 2.879 1.00 63.20 H new HETATM 0 HA SEP A 2 6.622 0.837 0.610 1.00 63.31 H new HETATM 0 H SEP A 2 3.972 -0.015 1.376 1.00 20.03 H new ATOM 39 N LYS A 3 5.530 -1.399 -1.220 1.00 63.12 N ATOM 40 CA LYS A 3 5.795 -2.257 -2.369 1.00 23.43 C ATOM 41 C LYS A 3 6.143 -1.427 -3.600 1.00 55.21 C ATOM 42 O LYS A 3 6.511 -1.969 -4.642 1.00 53.34 O ATOM 43 CB LYS A 3 4.581 -3.141 -2.662 1.00 54.23 C ATOM 44 CG LYS A 3 4.775 -4.594 -2.264 1.00 15.54 C ATOM 45 CD LYS A 3 5.277 -4.717 -0.835 1.00 30.41 C ATOM 46 CE LYS A 3 4.977 -6.091 -0.256 1.00 32.43 C ATOM 47 NZ LYS A 3 4.564 -6.013 1.173 1.00 23.00 N ATOM 0 H LYS A 3 4.546 -1.170 -1.083 1.00 63.12 H new ATOM 0 HA LYS A 3 6.648 -2.891 -2.128 1.00 23.43 H new ATOM 0 HB2 LYS A 3 3.715 -2.741 -2.134 1.00 54.23 H new ATOM 0 HB3 LYS A 3 4.355 -3.092 -3.727 1.00 54.23 H new ATOM 0 HG2 LYS A 3 3.831 -5.130 -2.367 1.00 15.54 H new ATOM 0 HG3 LYS A 3 5.485 -5.067 -2.942 1.00 15.54 H new ATOM 0 HD2 LYS A 3 6.352 -4.537 -0.809 1.00 30.41 H new ATOM 0 HD3 LYS A 3 4.810 -3.950 -0.217 1.00 30.41 H new ATOM 0 HE2 LYS A 3 4.186 -6.565 -0.837 1.00 32.43 H new ATOM 0 HE3 LYS A 3 5.860 -6.723 -0.345 1.00 32.43 H new ATOM 0 HZ1 LYS A 3 4.369 -6.970 1.531 1.00 23.00 H new ATOM 0 HZ2 LYS A 3 5.329 -5.584 1.732 1.00 23.00 H new ATOM 0 HZ3 LYS A 3 3.706 -5.431 1.255 1.00 23.00 H new ATOM 61 N ASP A 4 6.024 -0.110 -3.472 1.00 42.12 N ATOM 62 CA ASP A 4 6.328 0.796 -4.574 1.00 62.31 C ATOM 63 C ASP A 4 7.829 1.052 -4.669 1.00 1.15 C ATOM 64 O ASP A 4 8.332 1.482 -5.707 1.00 42.04 O ATOM 65 CB ASP A 4 5.583 2.119 -4.395 1.00 55.13 C ATOM 66 CG ASP A 4 4.511 2.327 -5.448 1.00 24.20 C ATOM 67 OD1 ASP A 4 4.779 2.035 -6.633 1.00 11.43 O ATOM 68 OD2 ASP A 4 3.405 2.780 -5.087 1.00 24.10 O ATOM 0 H ASP A 4 5.719 0.354 -2.616 1.00 42.12 H new ATOM 0 HA ASP A 4 5.999 0.325 -5.500 1.00 62.31 H new ATOM 0 HB2 ASP A 4 5.126 2.144 -3.406 1.00 55.13 H new ATOM 0 HB3 ASP A 4 6.296 2.943 -4.438 1.00 55.13 H new ATOM 73 N LEU A 5 8.539 0.787 -3.578 1.00 21.44 N ATOM 74 CA LEU A 5 9.983 0.989 -3.536 1.00 42.44 C ATOM 75 C LEU A 5 10.687 0.104 -4.560 1.00 32.11 C ATOM 76 O LEU A 5 11.831 0.361 -4.935 1.00 72.42 O ATOM 77 CB LEU A 5 10.520 0.694 -2.135 1.00 32.22 C ATOM 78 CG LEU A 5 10.978 1.905 -1.322 1.00 45.34 C ATOM 79 CD1 LEU A 5 9.801 2.817 -1.013 1.00 4.21 C ATOM 80 CD2 LEU A 5 11.662 1.459 -0.038 1.00 74.41 C ATOM 0 H LEU A 5 8.138 0.432 -2.710 1.00 21.44 H new ATOM 0 HA LEU A 5 10.186 2.031 -3.783 1.00 42.44 H new ATOM 0 HB2 LEU A 5 9.743 0.176 -1.572 1.00 32.22 H new ATOM 0 HB3 LEU A 5 11.360 0.005 -2.227 1.00 32.22 H new ATOM 0 HG LEU A 5 11.699 2.466 -1.917 1.00 45.34 H new ATOM 0 HD11 LEU A 5 10.146 3.673 -0.434 1.00 4.21 H new ATOM 0 HD12 LEU A 5 9.356 3.165 -1.945 1.00 4.21 H new ATOM 0 HD13 LEU A 5 9.056 2.267 -0.438 1.00 4.21 H new ATOM 0 HD21 LEU A 5 11.981 2.335 0.527 1.00 74.41 H new ATOM 0 HD22 LEU A 5 10.964 0.874 0.562 1.00 74.41 H new ATOM 0 HD23 LEU A 5 12.531 0.848 -0.282 1.00 74.41 H new ATOM 92 N ARG A 6 9.994 -0.938 -5.009 1.00 3.21 N ATOM 93 CA ARG A 6 10.552 -1.861 -5.990 1.00 3.41 C ATOM 94 C ARG A 6 10.579 -1.228 -7.378 1.00 52.22 C ATOM 95 O ARG A 6 11.268 -1.709 -8.278 1.00 52.13 O ATOM 96 CB ARG A 6 9.739 -3.156 -6.024 1.00 10.23 C ATOM 97 CG ARG A 6 10.588 -4.403 -6.209 1.00 35.23 C ATOM 98 CD ARG A 6 10.075 -5.556 -5.360 1.00 61.52 C ATOM 99 NE ARG A 6 10.925 -6.738 -5.472 1.00 64.52 N ATOM 100 CZ ARG A 6 10.855 -7.601 -6.480 1.00 25.32 C ATOM 101 NH1 ARG A 6 9.979 -7.415 -7.457 1.00 44.53 N ATOM 102 NH2 ARG A 6 11.663 -8.653 -6.511 1.00 64.42 N ATOM 0 H ARG A 6 9.046 -1.164 -4.709 1.00 3.21 H new ATOM 0 HA ARG A 6 11.576 -2.091 -5.694 1.00 3.41 H new ATOM 0 HB2 ARG A 6 9.175 -3.245 -5.096 1.00 10.23 H new ATOM 0 HB3 ARG A 6 9.012 -3.098 -6.834 1.00 10.23 H new ATOM 0 HG2 ARG A 6 10.586 -4.694 -7.259 1.00 35.23 H new ATOM 0 HG3 ARG A 6 11.622 -4.184 -5.941 1.00 35.23 H new ATOM 0 HD2 ARG A 6 10.024 -5.244 -4.317 1.00 61.52 H new ATOM 0 HD3 ARG A 6 9.060 -5.809 -5.667 1.00 61.52 H new ATOM 0 HE ARG A 6 11.610 -6.911 -4.736 1.00 64.52 H new ATOM 0 HH11 ARG A 6 9.356 -6.608 -7.437 1.00 44.53 H new ATOM 0 HH12 ARG A 6 9.928 -8.079 -8.229 1.00 44.53 H new ATOM 0 HH21 ARG A 6 12.338 -8.800 -5.761 1.00 64.42 H new ATOM 0 HH22 ARG A 6 11.609 -9.315 -7.285 1.00 64.42 H new ATOM 116 N HIS A 7 9.824 -0.147 -7.545 1.00 13.54 N ATOM 117 CA HIS A 7 9.761 0.553 -8.823 1.00 75.52 C ATOM 118 C HIS A 7 11.039 1.346 -9.072 1.00 45.40 C ATOM 119 O HIS A 7 11.317 1.757 -10.198 1.00 64.34 O ATOM 120 CB HIS A 7 8.551 1.487 -8.858 1.00 42.32 C ATOM 121 CG HIS A 7 7.238 0.767 -8.892 1.00 43.31 C ATOM 122 ND1 HIS A 7 6.140 1.238 -9.580 1.00 34.41 N ATOM 123 CD2 HIS A 7 6.852 -0.397 -8.319 1.00 51.43 C ATOM 124 CE1 HIS A 7 5.134 0.395 -9.427 1.00 54.12 C ATOM 125 NE2 HIS A 7 5.540 -0.606 -8.667 1.00 11.42 N ATOM 0 H HIS A 7 9.247 0.263 -6.811 1.00 13.54 H new ATOM 0 HA HIS A 7 9.658 -0.192 -9.612 1.00 75.52 H new ATOM 0 HB2 HIS A 7 8.578 2.135 -7.982 1.00 42.32 H new ATOM 0 HB3 HIS A 7 8.625 2.131 -9.734 1.00 42.32 H new ATOM 0 HD2 HIS A 7 7.462 -1.041 -7.703 1.00 51.43 H new ATOM 0 HE1 HIS A 7 4.147 0.506 -9.851 1.00 54.12 H new ATOM 0 HE2 HIS A 7 4.972 -1.404 -8.384 1.00 11.42 H new ATOM 133 N ALA A 8 11.813 1.559 -8.013 1.00 5.51 N ATOM 134 CA ALA A 8 13.063 2.303 -8.117 1.00 71.10 C ATOM 135 C ALA A 8 14.135 1.479 -8.823 1.00 13.05 C ATOM 136 O ALA A 8 15.165 2.009 -9.240 1.00 33.11 O ATOM 137 CB ALA A 8 13.543 2.725 -6.736 1.00 74.11 C ATOM 0 H ALA A 8 11.597 1.227 -7.073 1.00 5.51 H new ATOM 0 HA ALA A 8 12.877 3.196 -8.713 1.00 71.10 H new ATOM 0 HB1 ALA A 8 14.477 3.279 -6.829 1.00 74.11 H new ATOM 0 HB2 ALA A 8 12.790 3.359 -6.267 1.00 74.11 H new ATOM 0 HB3 ALA A 8 13.706 1.840 -6.121 1.00 74.11 H new ATOM 143 N PHE A 9 13.886 0.180 -8.952 1.00 23.01 N ATOM 144 CA PHE A 9 14.831 -0.718 -9.606 1.00 4.33 C ATOM 145 C PHE A 9 14.979 -0.369 -11.084 1.00 21.21 C ATOM 146 O PHE A 9 16.016 -0.630 -11.693 1.00 63.35 O ATOM 147 CB PHE A 9 14.375 -2.170 -9.456 1.00 33.42 C ATOM 148 CG PHE A 9 15.439 -3.172 -9.804 1.00 34.15 C ATOM 149 CD1 PHE A 9 16.349 -3.595 -8.849 1.00 2.02 C ATOM 150 CD2 PHE A 9 15.528 -3.690 -11.085 1.00 62.34 C ATOM 151 CE1 PHE A 9 17.329 -4.517 -9.165 1.00 42.13 C ATOM 152 CE2 PHE A 9 16.506 -4.613 -11.408 1.00 13.24 C ATOM 153 CZ PHE A 9 17.408 -5.026 -10.447 1.00 0.42 C ATOM 0 H PHE A 9 13.038 -0.274 -8.612 1.00 23.01 H new ATOM 0 HA PHE A 9 15.801 -0.598 -9.124 1.00 4.33 H new ATOM 0 HB2 PHE A 9 14.052 -2.337 -8.428 1.00 33.42 H new ATOM 0 HB3 PHE A 9 13.507 -2.338 -10.094 1.00 33.42 H new ATOM 0 HD1 PHE A 9 16.292 -3.200 -7.846 1.00 2.02 H new ATOM 0 HD2 PHE A 9 14.826 -3.370 -11.840 1.00 62.34 H new ATOM 0 HE1 PHE A 9 18.032 -4.839 -8.411 1.00 42.13 H new ATOM 0 HE2 PHE A 9 16.564 -5.010 -12.411 1.00 13.24 H new ATOM 0 HZ PHE A 9 18.174 -5.745 -10.697 1.00 0.42 H new ATOM 163 N ARG A 10 13.934 0.222 -11.654 1.00 32.43 N ATOM 164 CA ARG A 10 13.946 0.605 -13.060 1.00 74.53 C ATOM 165 C ARG A 10 14.624 1.958 -13.250 1.00 3.03 C ATOM 166 O ARG A 10 15.103 2.277 -14.338 1.00 74.01 O ATOM 167 CB ARG A 10 12.518 0.656 -13.609 1.00 5.42 C ATOM 168 CG ARG A 10 11.998 -0.691 -14.081 1.00 20.42 C ATOM 169 CD ARG A 10 10.790 -0.534 -14.991 1.00 31.41 C ATOM 170 NE ARG A 10 10.605 -1.693 -15.860 1.00 61.31 N ATOM 171 CZ ARG A 10 10.122 -2.857 -15.440 1.00 61.32 C ATOM 172 NH1 ARG A 10 9.777 -3.016 -14.170 1.00 74.00 N ATOM 173 NH2 ARG A 10 9.983 -3.865 -16.292 1.00 22.43 N ATOM 0 H ARG A 10 13.068 0.446 -11.163 1.00 32.43 H new ATOM 0 HA ARG A 10 14.513 -0.146 -13.610 1.00 74.53 H new ATOM 0 HB2 ARG A 10 11.854 1.041 -12.835 1.00 5.42 H new ATOM 0 HB3 ARG A 10 12.482 1.361 -14.440 1.00 5.42 H new ATOM 0 HG2 ARG A 10 12.788 -1.222 -14.612 1.00 20.42 H new ATOM 0 HG3 ARG A 10 11.728 -1.301 -13.219 1.00 20.42 H new ATOM 0 HD2 ARG A 10 9.896 -0.389 -14.385 1.00 31.41 H new ATOM 0 HD3 ARG A 10 10.910 0.361 -15.601 1.00 31.41 H new ATOM 0 HE ARG A 10 10.861 -1.604 -16.843 1.00 61.31 H new ATOM 0 HH11 ARG A 10 9.882 -2.243 -13.512 1.00 74.00 H new ATOM 0 HH12 ARG A 10 9.406 -3.911 -13.850 1.00 74.00 H new ATOM 0 HH21 ARG A 10 10.247 -3.746 -17.270 1.00 22.43 H new ATOM 0 HH22 ARG A 10 9.612 -4.759 -15.969 1.00 22.43 H new ATOM 187 N SER A 11 14.662 2.750 -12.183 1.00 35.12 N ATOM 188 CA SER A 11 15.277 4.071 -12.232 1.00 64.24 C ATOM 189 C SER A 11 16.793 3.959 -12.366 1.00 21.20 C ATOM 190 O SER A 11 17.467 4.919 -12.738 1.00 12.24 O ATOM 191 CB SER A 11 14.922 4.870 -10.977 1.00 24.31 C ATOM 192 OG SER A 11 15.555 6.138 -10.983 1.00 65.52 O ATOM 0 H SER A 11 14.274 2.499 -11.274 1.00 35.12 H new ATOM 0 HA SER A 11 14.889 4.593 -13.107 1.00 64.24 H new ATOM 0 HB2 SER A 11 13.841 5.000 -10.919 1.00 24.31 H new ATOM 0 HB3 SER A 11 15.225 4.313 -10.090 1.00 24.31 H new ATOM 0 HG SER A 11 15.311 6.629 -10.171 1.00 65.52 H new ATOM 198 N MET A 12 17.322 2.779 -12.060 1.00 21.32 N ATOM 199 CA MET A 12 18.758 2.540 -12.147 1.00 21.34 C ATOM 200 C MET A 12 19.198 2.395 -13.600 1.00 22.51 C ATOM 201 O MET A 12 20.390 2.440 -13.905 1.00 61.43 O ATOM 202 CB MET A 12 19.136 1.284 -11.359 1.00 62.21 C ATOM 203 CG MET A 12 20.224 1.520 -10.324 1.00 14.24 C ATOM 204 SD MET A 12 19.652 2.510 -8.929 1.00 53.55 S ATOM 205 CE MET A 12 20.925 3.768 -8.863 1.00 1.34 C ATOM 0 H MET A 12 16.778 1.974 -11.750 1.00 21.32 H new ATOM 0 HA MET A 12 19.271 3.399 -11.715 1.00 21.34 H new ATOM 0 HB2 MET A 12 18.248 0.898 -10.859 1.00 62.21 H new ATOM 0 HB3 MET A 12 19.469 0.515 -12.056 1.00 62.21 H new ATOM 0 HG2 MET A 12 20.587 0.559 -9.958 1.00 14.24 H new ATOM 0 HG3 MET A 12 21.069 2.020 -10.798 1.00 14.24 H new ATOM 0 HE1 MET A 12 20.712 4.459 -8.048 1.00 1.34 H new ATOM 0 HE2 MET A 12 21.894 3.297 -8.695 1.00 1.34 H new ATOM 0 HE3 MET A 12 20.946 4.314 -9.806 1.00 1.34 H new ATOM 215 N PHE A 13 18.229 2.220 -14.492 1.00 62.23 N ATOM 216 CA PHE A 13 18.517 2.067 -15.914 1.00 23.34 C ATOM 217 C PHE A 13 18.531 3.422 -16.615 1.00 21.21 C ATOM 218 O PHE A 13 18.021 4.419 -16.103 1.00 45.14 O ATOM 219 CB PHE A 13 17.482 1.151 -16.570 1.00 21.33 C ATOM 220 CG PHE A 13 17.888 -0.295 -16.589 1.00 71.33 C ATOM 221 CD1 PHE A 13 17.959 -1.025 -15.413 1.00 53.43 C ATOM 222 CD2 PHE A 13 18.198 -0.925 -17.784 1.00 21.44 C ATOM 223 CE1 PHE A 13 18.333 -2.355 -15.429 1.00 34.04 C ATOM 224 CE2 PHE A 13 18.572 -2.256 -17.805 1.00 43.22 C ATOM 225 CZ PHE A 13 18.639 -2.972 -16.626 1.00 54.30 C ATOM 0 H PHE A 13 17.237 2.181 -14.256 1.00 62.23 H new ATOM 0 HA PHE A 13 19.505 1.617 -16.013 1.00 23.34 H new ATOM 0 HB2 PHE A 13 16.535 1.247 -16.039 1.00 21.33 H new ATOM 0 HB3 PHE A 13 17.309 1.485 -17.593 1.00 21.33 H new ATOM 0 HD1 PHE A 13 17.719 -0.549 -14.474 1.00 53.43 H new ATOM 0 HD2 PHE A 13 18.147 -0.370 -18.709 1.00 21.44 H new ATOM 0 HE1 PHE A 13 18.386 -2.912 -14.505 1.00 34.04 H new ATOM 0 HE2 PHE A 13 18.812 -2.735 -18.743 1.00 43.22 H new ATOM 0 HZ PHE A 13 18.930 -4.012 -16.640 1.00 54.30 H new ATOM 235 N PRO A 14 19.129 3.460 -17.815 1.00 10.41 N ATOM 236 CA PRO A 14 19.224 4.686 -18.613 1.00 3.42 C ATOM 237 C PRO A 14 17.892 5.071 -19.246 1.00 75.11 C ATOM 238 O PRO A 14 17.728 6.185 -19.744 1.00 23.13 O ATOM 239 CB PRO A 14 20.246 4.327 -19.694 1.00 44.32 C ATOM 240 CG PRO A 14 20.152 2.847 -19.828 1.00 72.41 C ATOM 241 CD PRO A 14 19.758 2.310 -18.485 1.00 74.15 C ATOM 0 HA PRO A 14 19.509 5.546 -18.006 1.00 3.42 H new ATOM 0 HB2 PRO A 14 20.017 4.825 -20.636 1.00 44.32 H new ATOM 0 HB3 PRO A 14 21.251 4.635 -19.406 1.00 44.32 H new ATOM 0 HG2 PRO A 14 19.415 2.574 -20.584 1.00 72.41 H new ATOM 0 HG3 PRO A 14 21.106 2.427 -20.147 1.00 72.41 H new ATOM 0 HD2 PRO A 14 19.066 1.473 -18.577 1.00 74.15 H new ATOM 0 HD3 PRO A 14 20.623 1.948 -17.930 1.00 74.15 H new ATOM 249 N SER A 15 16.941 4.142 -19.224 1.00 10.13 N ATOM 250 CA SER A 15 15.623 4.383 -19.799 1.00 11.11 C ATOM 251 C SER A 15 14.837 5.382 -18.956 1.00 13.42 C ATOM 252 O SER A 15 13.918 6.039 -19.447 1.00 22.42 O ATOM 253 CB SER A 15 14.845 3.071 -19.912 1.00 71.33 C ATOM 254 OG SER A 15 15.094 2.232 -18.797 1.00 53.43 O ATOM 0 H SER A 15 17.059 3.216 -18.814 1.00 10.13 H new ATOM 0 HA SER A 15 15.760 4.803 -20.795 1.00 11.11 H new ATOM 0 HB2 SER A 15 13.778 3.282 -19.981 1.00 71.33 H new ATOM 0 HB3 SER A 15 15.128 2.555 -20.830 1.00 71.33 H new ATOM 0 HG SER A 15 14.584 1.401 -18.893 1.00 53.43 H new ATOM 260 N SER A 16 15.205 5.492 -17.683 1.00 55.02 N ATOM 261 CA SER A 16 14.532 6.408 -16.769 1.00 61.03 C ATOM 262 C SER A 16 15.084 7.823 -16.914 1.00 64.22 C ATOM 263 O SER A 16 14.405 8.800 -16.602 1.00 51.15 O ATOM 264 CB SER A 16 14.694 5.931 -15.325 1.00 34.32 C ATOM 265 OG SER A 16 14.413 6.975 -14.408 1.00 64.44 O ATOM 0 H SER A 16 15.965 4.958 -17.261 1.00 55.02 H new ATOM 0 HA SER A 16 13.472 6.422 -17.023 1.00 61.03 H new ATOM 0 HB2 SER A 16 14.026 5.090 -15.139 1.00 34.32 H new ATOM 0 HB3 SER A 16 15.711 5.570 -15.170 1.00 34.32 H new ATOM 0 HG SER A 16 14.816 6.765 -13.540 1.00 64.44 H new ATOM 271 N GLU A 17 16.322 7.922 -17.389 1.00 50.53 N ATOM 272 CA GLU A 17 16.966 9.217 -17.575 1.00 3.42 C ATOM 273 C GLU A 17 16.541 9.852 -18.896 1.00 3.43 C ATOM 274 O GLU A 17 15.896 10.900 -18.912 1.00 74.34 O ATOM 275 CB GLU A 17 18.488 9.065 -17.536 1.00 23.20 C ATOM 276 CG GLU A 17 19.118 9.566 -16.247 1.00 34.21 C ATOM 277 CD GLU A 17 20.398 8.831 -15.899 1.00 13.23 C ATOM 278 OE1 GLU A 17 21.296 8.764 -16.764 1.00 21.34 O ATOM 279 OE2 GLU A 17 20.501 8.324 -14.762 1.00 41.04 O ATOM 0 H GLU A 17 16.898 7.122 -17.652 1.00 50.53 H new ATOM 0 HA GLU A 17 16.652 9.870 -16.761 1.00 3.42 H new ATOM 0 HB2 GLU A 17 18.743 8.014 -17.670 1.00 23.20 H new ATOM 0 HB3 GLU A 17 18.920 9.608 -18.377 1.00 23.20 H new ATOM 0 HG2 GLU A 17 19.329 10.631 -16.340 1.00 34.21 H new ATOM 0 HG3 GLU A 17 18.405 9.453 -15.430 1.00 34.21 H new TER 286 GLU A 17