USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 166 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+ 155:sc= -0.0164 (180deg=-0.223) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.585 X(o=-0.58,f=-0.93) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc=-0.00402 (180deg=-0.143) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 0.136 -2.162 -3.360 1.00 35.34 N ATOM 2 CA ARG A 1 0.454 -2.261 -1.940 1.00 55.22 C ATOM 3 C ARG A 1 1.498 -1.222 -1.544 1.00 1.43 C ATOM 4 O ARG A 1 2.314 -1.455 -0.653 1.00 62.33 O ATOM 5 CB ARG A 1 0.962 -3.664 -1.606 1.00 23.31 C ATOM 6 CG ARG A 1 -0.143 -4.701 -1.489 1.00 11.00 C ATOM 7 CD ARG A 1 -0.893 -4.570 -0.173 1.00 11.53 C ATOM 8 NE ARG A 1 -0.020 -4.784 0.978 1.00 33.44 N ATOM 9 CZ ARG A 1 -0.322 -4.396 2.212 1.00 11.42 C ATOM 10 NH1 ARG A 1 -1.469 -3.776 2.454 1.00 41.33 N ATOM 11 NH2 ARG A 1 0.524 -4.627 3.208 1.00 61.22 N ATOM 0 H1 ARG A 1 -0.215 -3.079 -3.702 1.00 35.34 H new ATOM 0 H2 ARG A 1 -0.596 -1.437 -3.502 1.00 35.34 H new ATOM 0 H3 ARG A 1 0.991 -1.899 -3.890 1.00 35.34 H new ATOM 0 HA ARG A 1 -0.458 -2.069 -1.374 1.00 55.22 H new ATOM 0 HB2 ARG A 1 1.665 -3.980 -2.377 1.00 23.31 H new ATOM 0 HB3 ARG A 1 1.515 -3.627 -0.667 1.00 23.31 H new ATOM 0 HG2 ARG A 1 -0.840 -4.587 -2.319 1.00 11.00 H new ATOM 0 HG3 ARG A 1 0.285 -5.700 -1.567 1.00 11.00 H new ATOM 0 HD2 ARG A 1 -1.341 -3.579 -0.108 1.00 11.53 H new ATOM 0 HD3 ARG A 1 -1.710 -5.292 -0.148 1.00 11.53 H new ATOM 0 HE ARG A 1 0.871 -5.257 0.826 1.00 33.44 H new ATOM 0 HH11 ARG A 1 -2.122 -3.596 1.692 1.00 41.33 H new ATOM 0 HH12 ARG A 1 -1.698 -3.479 3.403 1.00 41.33 H new ATOM 0 HH21 ARG A 1 1.408 -5.103 3.027 1.00 61.22 H new ATOM 0 HH22 ARG A 1 0.291 -4.328 4.155 1.00 61.22 H new ATOM 25 N GLY A 2 1.466 -0.073 -2.212 1.00 42.33 N ATOM 26 CA GLY A 2 2.415 0.985 -1.916 1.00 62.51 C ATOM 27 C GLY A 2 2.387 2.095 -2.948 1.00 33.14 C ATOM 28 O GLY A 2 1.834 3.168 -2.701 1.00 24.13 O ATOM 0 H GLY A 2 0.800 0.144 -2.953 1.00 42.33 H new ATOM 0 HA2 GLY A 2 2.195 1.402 -0.933 1.00 62.51 H new ATOM 0 HA3 GLY A 2 3.419 0.564 -1.867 1.00 62.51 H new ATOM 32 N LEU A 3 2.984 1.839 -4.106 1.00 43.41 N ATOM 33 CA LEU A 3 3.027 2.827 -5.179 1.00 72.32 C ATOM 34 C LEU A 3 1.785 2.728 -6.060 1.00 23.22 C ATOM 35 O LEU A 3 1.806 2.083 -7.108 1.00 73.23 O ATOM 36 CB LEU A 3 4.285 2.633 -6.028 1.00 33.22 C ATOM 37 CG LEU A 3 5.615 2.676 -5.275 1.00 42.13 C ATOM 38 CD1 LEU A 3 6.754 2.231 -6.179 1.00 43.02 C ATOM 39 CD2 LEU A 3 5.876 4.074 -4.734 1.00 5.10 C ATOM 0 H LEU A 3 3.445 0.956 -4.327 1.00 43.41 H new ATOM 0 HA LEU A 3 3.051 3.818 -4.726 1.00 72.32 H new ATOM 0 HB2 LEU A 3 4.210 1.673 -6.539 1.00 33.22 H new ATOM 0 HB3 LEU A 3 4.302 3.404 -6.799 1.00 33.22 H new ATOM 0 HG LEU A 3 5.557 1.987 -4.432 1.00 42.13 H new ATOM 0 HD11 LEU A 3 7.693 2.268 -5.626 1.00 43.02 H new ATOM 0 HD12 LEU A 3 6.572 1.211 -6.518 1.00 43.02 H new ATOM 0 HD13 LEU A 3 6.814 2.895 -7.042 1.00 43.02 H new ATOM 0 HD21 LEU A 3 6.827 4.086 -4.201 1.00 5.10 H new ATOM 0 HD22 LEU A 3 5.915 4.783 -5.561 1.00 5.10 H new ATOM 0 HD23 LEU A 3 5.074 4.356 -4.052 1.00 5.10 H new ATOM 51 N ARG A 4 0.707 3.373 -5.628 1.00 33.44 N ATOM 52 CA ARG A 4 -0.544 3.358 -6.377 1.00 43.02 C ATOM 53 C ARG A 4 -0.696 4.630 -7.206 1.00 45.11 C ATOM 54 O ARG A 4 -1.110 4.582 -8.364 1.00 51.24 O ATOM 55 CB ARG A 4 -1.732 3.212 -5.425 1.00 52.20 C ATOM 56 CG ARG A 4 -3.060 3.006 -6.135 1.00 50.44 C ATOM 57 CD ARG A 4 -4.225 3.500 -5.292 1.00 53.44 C ATOM 58 NE ARG A 4 -5.509 3.290 -5.956 1.00 50.02 N ATOM 59 CZ ARG A 4 -6.674 3.664 -5.439 1.00 21.34 C ATOM 60 NH1 ARG A 4 -6.716 4.264 -4.257 1.00 72.21 N ATOM 61 NH2 ARG A 4 -7.800 3.438 -6.103 1.00 62.55 N ATOM 0 H ARG A 4 0.674 3.913 -4.763 1.00 33.44 H new ATOM 0 HA ARG A 4 -0.523 2.504 -7.054 1.00 43.02 H new ATOM 0 HB2 ARG A 4 -1.551 2.368 -4.759 1.00 52.20 H new ATOM 0 HB3 ARG A 4 -1.798 4.103 -4.801 1.00 52.20 H new ATOM 0 HG2 ARG A 4 -3.050 3.534 -7.088 1.00 50.44 H new ATOM 0 HG3 ARG A 4 -3.194 1.948 -6.358 1.00 50.44 H new ATOM 0 HD2 ARG A 4 -4.224 2.982 -4.333 1.00 53.44 H new ATOM 0 HD3 ARG A 4 -4.095 4.561 -5.081 1.00 53.44 H new ATOM 0 HE ARG A 4 -5.511 2.831 -6.867 1.00 50.02 H new ATOM 0 HH11 ARG A 4 -5.853 4.439 -3.743 1.00 72.21 H new ATOM 0 HH12 ARG A 4 -7.612 4.550 -3.862 1.00 72.21 H new ATOM 0 HH21 ARG A 4 -7.772 2.976 -7.012 1.00 62.55 H new ATOM 0 HH22 ARG A 4 -8.694 3.726 -5.704 1.00 62.55 H new ATOM 75 N ARG A 5 -0.358 5.766 -6.605 1.00 3.03 N ATOM 76 CA ARG A 5 -0.458 7.051 -7.286 1.00 71.25 C ATOM 77 C ARG A 5 0.839 7.842 -7.149 1.00 64.02 C ATOM 78 O ARG A 5 0.831 9.074 -7.146 1.00 72.31 O ATOM 79 CB ARG A 5 -1.625 7.862 -6.721 1.00 51.41 C ATOM 80 CG ARG A 5 -2.990 7.327 -7.122 1.00 20.12 C ATOM 81 CD ARG A 5 -4.080 7.822 -6.184 1.00 41.32 C ATOM 82 NE ARG A 5 -3.860 7.383 -4.809 1.00 34.21 N ATOM 83 CZ ARG A 5 -4.416 7.967 -3.753 1.00 74.52 C ATOM 84 NH1 ARG A 5 -5.221 9.008 -3.915 1.00 33.34 N ATOM 85 NH2 ARG A 5 -4.168 7.508 -2.533 1.00 12.51 N ATOM 0 H ARG A 5 -0.012 5.823 -5.647 1.00 3.03 H new ATOM 0 HA ARG A 5 -0.636 6.860 -8.344 1.00 71.25 H new ATOM 0 HB2 ARG A 5 -1.554 7.875 -5.633 1.00 51.41 H new ATOM 0 HB3 ARG A 5 -1.536 8.895 -7.058 1.00 51.41 H new ATOM 0 HG2 ARG A 5 -3.218 7.637 -8.142 1.00 20.12 H new ATOM 0 HG3 ARG A 5 -2.971 6.237 -7.116 1.00 20.12 H new ATOM 0 HD2 ARG A 5 -4.118 8.911 -6.215 1.00 41.32 H new ATOM 0 HD3 ARG A 5 -5.048 7.459 -6.530 1.00 41.32 H new ATOM 0 HE ARG A 5 -3.246 6.584 -4.650 1.00 34.21 H new ATOM 0 HH11 ARG A 5 -5.415 9.362 -4.852 1.00 33.34 H new ATOM 0 HH12 ARG A 5 -5.647 9.455 -3.103 1.00 33.34 H new ATOM 0 HH21 ARG A 5 -3.550 6.706 -2.405 1.00 12.51 H new ATOM 0 HH22 ARG A 5 -4.595 7.957 -1.723 1.00 12.51 H new ATOM 99 N LEU A 6 1.953 7.127 -7.035 1.00 60.33 N ATOM 100 CA LEU A 6 3.259 7.761 -6.897 1.00 43.51 C ATOM 101 C LEU A 6 3.945 7.898 -8.253 1.00 33.31 C ATOM 102 O LEU A 6 4.683 8.852 -8.494 1.00 12.03 O ATOM 103 CB LEU A 6 4.143 6.953 -5.945 1.00 52.31 C ATOM 104 CG LEU A 6 4.482 7.623 -4.613 1.00 61.01 C ATOM 105 CD1 LEU A 6 5.437 8.787 -4.829 1.00 32.03 C ATOM 106 CD2 LEU A 6 3.215 8.093 -3.914 1.00 73.31 C ATOM 0 H LEU A 6 1.978 6.107 -7.035 1.00 60.33 H new ATOM 0 HA LEU A 6 3.108 8.759 -6.484 1.00 43.51 H new ATOM 0 HB2 LEU A 6 3.646 6.005 -5.736 1.00 52.31 H new ATOM 0 HB3 LEU A 6 5.075 6.718 -6.458 1.00 52.31 H new ATOM 0 HG LEU A 6 4.974 6.889 -3.974 1.00 61.01 H new ATOM 0 HD11 LEU A 6 5.667 9.252 -3.870 1.00 32.03 H new ATOM 0 HD12 LEU A 6 6.357 8.423 -5.286 1.00 32.03 H new ATOM 0 HD13 LEU A 6 4.972 9.522 -5.486 1.00 32.03 H new ATOM 0 HD21 LEU A 6 3.476 8.567 -2.968 1.00 73.31 H new ATOM 0 HD22 LEU A 6 2.694 8.811 -4.548 1.00 73.31 H new ATOM 0 HD23 LEU A 6 2.566 7.238 -3.724 1.00 73.31 H new ATOM 118 N GLY A 7 3.693 6.937 -9.137 1.00 21.21 N ATOM 119 CA GLY A 7 4.292 6.969 -10.458 1.00 52.35 C ATOM 120 C GLY A 7 4.059 8.289 -11.168 1.00 24.41 C ATOM 121 O GLY A 7 4.943 8.792 -11.862 1.00 20.12 O ATOM 0 H GLY A 7 3.085 6.137 -8.961 1.00 21.21 H new ATOM 0 HA2 GLY A 7 5.364 6.790 -10.372 1.00 52.35 H new ATOM 0 HA3 GLY A 7 3.881 6.159 -11.060 1.00 52.35 H new ATOM 125 N ARG A 8 2.867 8.849 -10.995 1.00 51.44 N ATOM 126 CA ARG A 8 2.520 10.117 -11.627 1.00 61.21 C ATOM 127 C ARG A 8 3.157 11.287 -10.883 1.00 51.14 C ATOM 128 O ARG A 8 3.403 12.345 -11.463 1.00 2.22 O ATOM 129 CB ARG A 8 1.001 10.291 -11.669 1.00 51.20 C ATOM 130 CG ARG A 8 0.275 9.146 -12.356 1.00 41.12 C ATOM 131 CD ARG A 8 -1.172 9.049 -11.899 1.00 1.42 C ATOM 132 NE ARG A 8 -2.008 8.351 -12.872 1.00 10.33 N ATOM 133 CZ ARG A 8 -3.334 8.310 -12.806 1.00 11.41 C ATOM 134 NH1 ARG A 8 -3.971 8.925 -11.819 1.00 34.53 N ATOM 135 NH2 ARG A 8 -4.025 7.655 -13.729 1.00 75.42 N ATOM 0 H ARG A 8 2.125 8.446 -10.423 1.00 51.44 H new ATOM 0 HA ARG A 8 2.905 10.104 -12.646 1.00 61.21 H new ATOM 0 HB2 ARG A 8 0.627 10.388 -10.650 1.00 51.20 H new ATOM 0 HB3 ARG A 8 0.765 11.222 -12.185 1.00 51.20 H new ATOM 0 HG2 ARG A 8 0.308 9.289 -13.436 1.00 41.12 H new ATOM 0 HG3 ARG A 8 0.788 8.208 -12.143 1.00 41.12 H new ATOM 0 HD2 ARG A 8 -1.216 8.527 -10.943 1.00 1.42 H new ATOM 0 HD3 ARG A 8 -1.568 10.051 -11.734 1.00 1.42 H new ATOM 0 HE ARG A 8 -1.549 7.869 -13.644 1.00 10.33 H new ATOM 0 HH11 ARG A 8 -3.443 9.431 -11.108 1.00 34.53 H new ATOM 0 HH12 ARG A 8 -4.989 8.892 -11.771 1.00 34.53 H new ATOM 0 HH21 ARG A 8 -3.538 7.182 -14.490 1.00 75.42 H new ATOM 0 HH22 ARG A 8 -5.043 7.624 -13.677 1.00 75.42 H new ATOM 149 N LYS A 9 3.421 11.090 -9.596 1.00 53.21 N ATOM 150 CA LYS A 9 4.029 12.128 -8.772 1.00 23.41 C ATOM 151 C LYS A 9 5.539 12.174 -8.983 1.00 42.53 C ATOM 152 O LYS A 9 6.179 13.195 -8.730 1.00 2.53 O ATOM 153 CB LYS A 9 3.718 11.881 -7.294 1.00 1.42 C ATOM 154 CG LYS A 9 4.486 12.791 -6.351 1.00 1.32 C ATOM 155 CD LYS A 9 3.804 12.895 -4.997 1.00 54.42 C ATOM 156 CE LYS A 9 4.287 14.111 -4.221 1.00 50.03 C ATOM 157 NZ LYS A 9 3.570 14.263 -2.925 1.00 72.21 N ATOM 0 H LYS A 9 3.223 10.221 -9.101 1.00 53.21 H new ATOM 0 HA LYS A 9 3.608 13.088 -9.071 1.00 23.41 H new ATOM 0 HB2 LYS A 9 2.649 12.018 -7.128 1.00 1.42 H new ATOM 0 HB3 LYS A 9 3.947 10.843 -7.051 1.00 1.42 H new ATOM 0 HG2 LYS A 9 5.499 12.410 -6.221 1.00 1.32 H new ATOM 0 HG3 LYS A 9 4.573 13.784 -6.793 1.00 1.32 H new ATOM 0 HD2 LYS A 9 2.725 12.956 -5.136 1.00 54.42 H new ATOM 0 HD3 LYS A 9 4.000 11.992 -4.419 1.00 54.42 H new ATOM 0 HE2 LYS A 9 5.357 14.022 -4.035 1.00 50.03 H new ATOM 0 HE3 LYS A 9 4.142 15.008 -4.824 1.00 50.03 H new ATOM 0 HZ1 LYS A 9 3.928 15.103 -2.427 1.00 72.21 H new ATOM 0 HZ2 LYS A 9 2.551 14.374 -3.103 1.00 72.21 H new ATOM 0 HZ3 LYS A 9 3.729 13.419 -2.339 1.00 72.21 H new ATOM 171 N ILE A 10 6.101 11.065 -9.450 1.00 64.20 N ATOM 172 CA ILE A 10 7.535 10.981 -9.698 1.00 4.42 C ATOM 173 C ILE A 10 7.835 10.957 -11.193 1.00 15.11 C ATOM 174 O ILE A 10 8.374 11.916 -11.744 1.00 1.01 O ATOM 175 CB ILE A 10 8.148 9.729 -9.043 1.00 1.43 C ATOM 176 CG1 ILE A 10 7.753 9.654 -7.567 1.00 15.24 C ATOM 177 CG2 ILE A 10 9.662 9.741 -9.191 1.00 42.21 C ATOM 178 CD1 ILE A 10 8.190 8.375 -6.888 1.00 72.33 C ATOM 0 H ILE A 10 5.585 10.212 -9.664 1.00 64.20 H new ATOM 0 HA ILE A 10 7.983 11.870 -9.254 1.00 4.42 H new ATOM 0 HB ILE A 10 7.760 8.845 -9.549 1.00 1.43 H new ATOM 0 HG12 ILE A 10 8.188 10.503 -7.039 1.00 15.24 H new ATOM 0 HG13 ILE A 10 6.670 9.748 -7.484 1.00 15.24 H new ATOM 0 HG21 ILE A 10 10.080 8.850 -8.723 1.00 42.21 H new ATOM 0 HG22 ILE A 10 9.924 9.752 -10.249 1.00 42.21 H new ATOM 0 HG23 ILE A 10 10.068 10.629 -8.707 1.00 42.21 H new ATOM 0 HD11 ILE A 10 7.876 8.392 -5.844 1.00 72.33 H new ATOM 0 HD12 ILE A 10 7.734 7.522 -7.391 1.00 72.33 H new ATOM 0 HD13 ILE A 10 9.275 8.288 -6.939 1.00 72.33 H new ATOM 190 N ALA A 11 7.478 9.855 -11.844 1.00 64.31 N ATOM 191 CA ALA A 11 7.705 9.707 -13.276 1.00 70.34 C ATOM 192 C ALA A 11 6.913 8.532 -13.839 1.00 34.40 C ATOM 193 O ALA A 11 7.087 7.390 -13.411 1.00 2.21 O ATOM 194 CB ALA A 11 9.189 9.529 -13.560 1.00 42.34 C ATOM 0 H ALA A 11 7.030 9.052 -11.402 1.00 64.31 H new ATOM 0 HA ALA A 11 7.358 10.615 -13.769 1.00 70.34 H new ATOM 0 HB1 ALA A 11 9.343 9.420 -14.633 1.00 42.34 H new ATOM 0 HB2 ALA A 11 9.735 10.402 -13.202 1.00 42.34 H new ATOM 0 HB3 ALA A 11 9.553 8.638 -13.048 1.00 42.34 H new ATOM 200 N HIS A 12 6.040 8.818 -14.800 1.00 64.04 N ATOM 201 CA HIS A 12 5.220 7.784 -15.422 1.00 25.13 C ATOM 202 C HIS A 12 6.085 6.625 -15.909 1.00 50.12 C ATOM 203 O HIS A 12 6.908 6.787 -16.809 1.00 51.42 O ATOM 204 CB HIS A 12 4.424 8.368 -16.589 1.00 61.30 C ATOM 205 CG HIS A 12 5.277 9.043 -17.618 1.00 4.31 C ATOM 206 ND1 HIS A 12 5.692 8.423 -18.777 1.00 72.44 N ATOM 207 CD2 HIS A 12 5.793 10.294 -17.657 1.00 42.15 C ATOM 208 CE1 HIS A 12 6.427 9.262 -19.485 1.00 31.32 C ATOM 209 NE2 HIS A 12 6.503 10.405 -18.828 1.00 25.25 N ATOM 0 H HIS A 12 5.882 9.757 -15.165 1.00 64.04 H new ATOM 0 HA HIS A 12 4.525 7.406 -14.672 1.00 25.13 H new ATOM 0 HB2 HIS A 12 3.857 7.569 -17.067 1.00 61.30 H new ATOM 0 HB3 HIS A 12 3.700 9.085 -16.202 1.00 61.30 H new ATOM 0 HD2 HIS A 12 5.670 11.062 -16.907 1.00 42.15 H new ATOM 0 HE1 HIS A 12 6.887 9.049 -20.439 1.00 31.32 H new ATOM 0 HE2 HIS A 12 7.007 11.235 -19.139 1.00 25.25 H new ATOM 217 N GLY A 13 5.892 5.455 -15.308 1.00 4.15 N ATOM 218 CA GLY A 13 6.662 4.287 -15.693 1.00 63.03 C ATOM 219 C GLY A 13 8.022 4.243 -15.026 1.00 25.33 C ATOM 220 O GLY A 13 8.976 3.695 -15.579 1.00 21.22 O ATOM 0 H GLY A 13 5.216 5.295 -14.561 1.00 4.15 H new ATOM 0 HA2 GLY A 13 6.105 3.387 -15.434 1.00 63.03 H new ATOM 0 HA3 GLY A 13 6.791 4.282 -16.775 1.00 63.03 H new ATOM 224 N VAL A 14 8.114 4.823 -13.833 1.00 71.31 N ATOM 225 CA VAL A 14 9.368 4.848 -13.089 1.00 74.23 C ATOM 226 C VAL A 14 9.431 3.706 -12.081 1.00 3.42 C ATOM 227 O VAL A 14 10.067 3.823 -11.033 1.00 1.31 O ATOM 228 CB VAL A 14 9.553 6.185 -12.347 1.00 64.24 C ATOM 229 CG1 VAL A 14 8.603 6.275 -11.163 1.00 25.32 C ATOM 230 CG2 VAL A 14 10.997 6.348 -11.897 1.00 62.41 C ATOM 0 H VAL A 14 7.335 5.282 -13.361 1.00 71.31 H new ATOM 0 HA VAL A 14 10.171 4.731 -13.817 1.00 74.23 H new ATOM 0 HB VAL A 14 9.316 6.998 -13.034 1.00 64.24 H new ATOM 0 HG11 VAL A 14 8.748 7.226 -10.651 1.00 25.32 H new ATOM 0 HG12 VAL A 14 7.574 6.206 -11.516 1.00 25.32 H new ATOM 0 HG13 VAL A 14 8.805 5.457 -10.472 1.00 25.32 H new ATOM 0 HG21 VAL A 14 11.110 7.298 -11.374 1.00 62.41 H new ATOM 0 HG22 VAL A 14 11.264 5.531 -11.227 1.00 62.41 H new ATOM 0 HG23 VAL A 14 11.653 6.332 -12.767 1.00 62.41 H new ATOM 240 N LYS A 15 8.768 2.601 -12.404 1.00 4.11 N ATOM 241 CA LYS A 15 8.750 1.436 -11.528 1.00 21.30 C ATOM 242 C LYS A 15 10.165 1.038 -11.121 1.00 45.32 C ATOM 243 O LYS A 15 10.381 0.489 -10.041 1.00 20.41 O ATOM 244 CB LYS A 15 8.059 0.260 -12.223 1.00 52.40 C ATOM 245 CG LYS A 15 8.760 -0.194 -13.492 1.00 12.53 C ATOM 246 CD LYS A 15 8.180 -1.498 -14.013 1.00 24.03 C ATOM 247 CE LYS A 15 8.829 -1.911 -15.325 1.00 73.11 C ATOM 248 NZ LYS A 15 8.482 -0.979 -16.433 1.00 15.40 N ATOM 0 H LYS A 15 8.236 2.488 -13.267 1.00 4.11 H new ATOM 0 HA LYS A 15 8.192 1.698 -10.629 1.00 21.30 H new ATOM 0 HB2 LYS A 15 8.002 -0.579 -11.529 1.00 52.40 H new ATOM 0 HB3 LYS A 15 7.035 0.543 -12.465 1.00 52.40 H new ATOM 0 HG2 LYS A 15 8.667 0.578 -14.256 1.00 12.53 H new ATOM 0 HG3 LYS A 15 9.825 -0.321 -13.295 1.00 12.53 H new ATOM 0 HD2 LYS A 15 8.324 -2.284 -13.271 1.00 24.03 H new ATOM 0 HD3 LYS A 15 7.105 -1.388 -14.156 1.00 24.03 H new ATOM 0 HE2 LYS A 15 9.912 -1.941 -15.201 1.00 73.11 H new ATOM 0 HE3 LYS A 15 8.510 -2.920 -15.586 1.00 73.11 H new ATOM 0 HZ1 LYS A 15 8.769 -1.397 -17.341 1.00 15.40 H new ATOM 0 HZ2 LYS A 15 7.456 -0.812 -16.437 1.00 15.40 H new ATOM 0 HZ3 LYS A 15 8.979 -0.076 -16.296 1.00 15.40 H new ATOM 262 N LYS A 16 11.128 1.321 -11.993 1.00 11.15 N ATOM 263 CA LYS A 16 12.524 0.996 -11.724 1.00 13.22 C ATOM 264 C LYS A 16 13.124 1.970 -10.715 1.00 24.22 C ATOM 265 O LYS A 16 12.409 2.762 -10.101 1.00 4.04 O ATOM 266 CB LYS A 16 13.334 1.025 -13.021 1.00 45.14 C ATOM 267 CG LYS A 16 12.648 0.328 -14.183 1.00 52.32 C ATOM 268 CD LYS A 16 13.566 -0.684 -14.847 1.00 74.44 C ATOM 269 CE LYS A 16 14.812 -0.021 -15.411 1.00 45.44 C ATOM 270 NZ LYS A 16 15.498 -0.887 -16.410 1.00 4.30 N ATOM 0 H LYS A 16 10.967 1.775 -12.892 1.00 11.15 H new ATOM 0 HA LYS A 16 12.563 -0.008 -11.301 1.00 13.22 H new ATOM 0 HB2 LYS A 16 13.529 2.062 -13.294 1.00 45.14 H new ATOM 0 HB3 LYS A 16 14.301 0.554 -12.846 1.00 45.14 H new ATOM 0 HG2 LYS A 16 11.748 -0.174 -13.827 1.00 52.32 H new ATOM 0 HG3 LYS A 16 12.331 1.069 -14.917 1.00 52.32 H new ATOM 0 HD2 LYS A 16 13.854 -1.445 -14.122 1.00 74.44 H new ATOM 0 HD3 LYS A 16 13.029 -1.193 -15.648 1.00 74.44 H new ATOM 0 HE2 LYS A 16 14.540 0.926 -15.877 1.00 45.44 H new ATOM 0 HE3 LYS A 16 15.500 0.210 -14.598 1.00 45.44 H new ATOM 0 HZ1 LYS A 16 16.343 -0.399 -16.771 1.00 4.30 H new ATOM 0 HZ2 LYS A 16 15.781 -1.781 -15.959 1.00 4.30 H new ATOM 0 HZ3 LYS A 16 14.850 -1.087 -17.199 1.00 4.30 H new ATOM 284 N TYR A 17 14.441 1.906 -10.550 1.00 11.11 N ATOM 285 CA TYR A 17 15.137 2.782 -9.615 1.00 22.43 C ATOM 286 C TYR A 17 15.688 4.013 -10.328 1.00 33.21 C ATOM 287 O TYR A 17 16.635 4.643 -9.861 1.00 1.34 O ATOM 288 CB TYR A 17 16.275 2.026 -8.927 1.00 21.34 C ATOM 289 CG TYR A 17 17.405 1.652 -9.859 1.00 50.23 C ATOM 290 CD1 TYR A 17 17.346 0.494 -10.624 1.00 71.25 C ATOM 291 CD2 TYR A 17 18.532 2.457 -9.975 1.00 32.33 C ATOM 292 CE1 TYR A 17 18.376 0.148 -11.478 1.00 1.04 C ATOM 293 CE2 TYR A 17 19.566 2.120 -10.826 1.00 70.42 C ATOM 294 CZ TYR A 17 19.484 0.964 -11.575 1.00 54.33 C ATOM 295 OH TYR A 17 20.512 0.624 -12.424 1.00 4.24 O ATOM 0 H TYR A 17 15.047 1.257 -11.051 1.00 11.11 H new ATOM 0 HA TYR A 17 14.420 3.111 -8.863 1.00 22.43 H new ATOM 0 HB2 TYR A 17 16.671 2.640 -8.118 1.00 21.34 H new ATOM 0 HB3 TYR A 17 15.875 1.120 -8.473 1.00 21.34 H new ATOM 0 HD1 TYR A 17 16.480 -0.147 -10.550 1.00 71.25 H new ATOM 0 HD2 TYR A 17 18.600 3.362 -9.389 1.00 32.33 H new ATOM 0 HE1 TYR A 17 18.314 -0.756 -12.066 1.00 1.04 H new ATOM 0 HE2 TYR A 17 20.434 2.758 -10.905 1.00 70.42 H new ATOM 0 HH TYR A 17 21.215 1.304 -12.375 1.00 4.24 H new ATOM 305 N GLY A 18 15.085 4.350 -11.464 1.00 71.42 N ATOM 306 CA GLY A 18 15.527 5.504 -12.225 1.00 32.14 C ATOM 307 C GLY A 18 16.677 5.179 -13.156 1.00 63.44 C ATOM 308 O GLY A 18 16.467 4.692 -14.267 1.00 55.44 O ATOM 0 H GLY A 18 14.298 3.844 -11.871 1.00 71.42 H new ATOM 0 HA2 GLY A 18 14.692 5.893 -12.807 1.00 32.14 H new ATOM 0 HA3 GLY A 18 15.832 6.293 -11.538 1.00 32.14 H new TER 312 GLY A 18