USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 293 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 LYS N :NH3+ -156:sc= -0.0585 (180deg=-0.545) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= -0.153 (180deg=-0.169) USER MOD Single : A 21 LYS NZ :NH3+ -119:sc= 1.11 (180deg=-0.246) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.646 X(o=-0.65,f=-0.5) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.00522 K(o=-0.0052,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.705 2.621 -9.802 1.00 54.15 N ATOM 2 CA LYS A 1 7.030 3.061 -9.383 1.00 51.23 C ATOM 3 C LYS A 1 7.855 1.887 -8.865 1.00 54.23 C ATOM 4 O LYS A 1 9.063 1.815 -9.092 1.00 14.51 O ATOM 5 CB LYS A 1 6.914 4.135 -8.299 1.00 21.43 C ATOM 6 CG LYS A 1 6.317 5.440 -8.796 1.00 61.20 C ATOM 7 CD LYS A 1 7.397 6.420 -9.222 1.00 50.21 C ATOM 8 CE LYS A 1 7.936 7.206 -8.036 1.00 53.05 C ATOM 9 NZ LYS A 1 7.726 8.671 -8.201 1.00 1.22 N ATOM 0 H1 LYS A 1 5.320 3.292 -10.497 1.00 54.15 H new ATOM 0 H2 LYS A 1 5.773 1.677 -10.233 1.00 54.15 H new ATOM 0 H3 LYS A 1 5.075 2.580 -8.975 1.00 54.15 H new ATOM 0 HA LYS A 1 7.537 3.483 -10.251 1.00 51.23 H new ATOM 0 HB2 LYS A 1 6.300 3.752 -7.484 1.00 21.43 H new ATOM 0 HB3 LYS A 1 7.904 4.332 -7.887 1.00 21.43 H new ATOM 0 HG2 LYS A 1 5.653 5.241 -9.637 1.00 61.20 H new ATOM 0 HG3 LYS A 1 5.709 5.886 -8.009 1.00 61.20 H new ATOM 0 HD2 LYS A 1 8.212 5.879 -9.702 1.00 50.21 H new ATOM 0 HD3 LYS A 1 6.992 7.109 -9.963 1.00 50.21 H new ATOM 0 HE2 LYS A 1 7.445 6.869 -7.123 1.00 53.05 H new ATOM 0 HE3 LYS A 1 9.000 7.002 -7.919 1.00 53.05 H new ATOM 0 HZ1 LYS A 1 8.107 9.172 -7.373 1.00 1.22 H new ATOM 0 HZ2 LYS A 1 8.216 8.998 -9.058 1.00 1.22 H new ATOM 0 HZ3 LYS A 1 6.709 8.868 -8.287 1.00 1.22 H new ATOM 23 N LYS A 2 7.194 0.967 -8.170 1.00 3.41 N ATOM 24 CA LYS A 2 7.865 -0.206 -7.622 1.00 12.42 C ATOM 25 C LYS A 2 7.944 -1.321 -8.659 1.00 20.20 C ATOM 26 O LYS A 2 6.924 -1.877 -9.065 1.00 74.20 O ATOM 27 CB LYS A 2 7.128 -0.704 -6.376 1.00 44.03 C ATOM 28 CG LYS A 2 7.993 -1.548 -5.456 1.00 35.41 C ATOM 29 CD LYS A 2 8.100 -0.932 -4.071 1.00 71.21 C ATOM 30 CE LYS A 2 8.920 -1.806 -3.134 1.00 40.23 C ATOM 31 NZ LYS A 2 10.050 -1.054 -2.522 1.00 65.14 N ATOM 0 H LYS A 2 6.194 1.011 -7.973 1.00 3.41 H new ATOM 0 HA LYS A 2 8.880 0.082 -7.346 1.00 12.42 H new ATOM 0 HB2 LYS A 2 6.750 0.154 -5.820 1.00 44.03 H new ATOM 0 HB3 LYS A 2 6.262 -1.289 -6.686 1.00 44.03 H new ATOM 0 HG2 LYS A 2 7.572 -2.550 -5.378 1.00 35.41 H new ATOM 0 HG3 LYS A 2 8.989 -1.653 -5.886 1.00 35.41 H new ATOM 0 HD2 LYS A 2 8.558 0.054 -4.145 1.00 71.21 H new ATOM 0 HD3 LYS A 2 7.102 -0.789 -3.657 1.00 71.21 H new ATOM 0 HE2 LYS A 2 8.276 -2.198 -2.347 1.00 40.23 H new ATOM 0 HE3 LYS A 2 9.309 -2.663 -3.684 1.00 40.23 H new ATOM 0 HZ1 LYS A 2 10.585 -1.684 -1.890 1.00 65.14 H new ATOM 0 HZ2 LYS A 2 10.678 -0.701 -3.272 1.00 65.14 H new ATOM 0 HZ3 LYS A 2 9.677 -0.251 -1.976 1.00 65.14 H new ATOM 45 N TRP A 3 9.161 -1.644 -9.082 1.00 11.02 N ATOM 46 CA TRP A 3 9.372 -2.695 -10.071 1.00 3.11 C ATOM 47 C TRP A 3 9.148 -4.073 -9.458 1.00 12.44 C ATOM 48 O TRP A 3 8.704 -4.999 -10.135 1.00 22.13 O ATOM 49 CB TRP A 3 10.786 -2.604 -10.648 1.00 1.15 C ATOM 50 CG TRP A 3 10.984 -3.446 -11.871 1.00 73.14 C ATOM 51 CD1 TRP A 3 10.390 -3.274 -13.089 1.00 44.14 C ATOM 52 CD2 TRP A 3 11.832 -4.593 -11.995 1.00 34.35 C ATOM 53 NE1 TRP A 3 10.818 -4.245 -13.962 1.00 44.03 N ATOM 54 CE2 TRP A 3 11.704 -5.066 -13.315 1.00 74.13 C ATOM 55 CE3 TRP A 3 12.688 -5.266 -11.119 1.00 11.34 C ATOM 56 CZ2 TRP A 3 12.399 -6.180 -13.777 1.00 61.15 C ATOM 57 CZ3 TRP A 3 13.377 -6.371 -11.579 1.00 22.43 C ATOM 58 CH2 TRP A 3 13.230 -6.819 -12.898 1.00 64.33 C ATOM 0 H TRP A 3 10.016 -1.194 -8.756 1.00 11.02 H new ATOM 0 HA TRP A 3 8.649 -2.554 -10.874 1.00 3.11 H new ATOM 0 HB2 TRP A 3 11.005 -1.564 -10.892 1.00 1.15 H new ATOM 0 HB3 TRP A 3 11.502 -2.910 -9.885 1.00 1.15 H new ATOM 0 HD1 TRP A 3 9.687 -2.490 -13.330 1.00 44.14 H new ATOM 0 HE1 TRP A 3 10.524 -4.339 -14.934 1.00 44.03 H new ATOM 0 HE3 TRP A 3 12.809 -4.928 -10.100 1.00 11.34 H new ATOM 0 HZ2 TRP A 3 12.286 -6.528 -14.793 1.00 61.15 H new ATOM 0 HZ3 TRP A 3 14.041 -6.899 -10.910 1.00 22.43 H new ATOM 0 HH2 TRP A 3 13.784 -7.686 -13.227 1.00 64.33 H new ATOM 69 N GLY A 4 9.457 -4.201 -8.171 1.00 1.22 N ATOM 70 CA GLY A 4 9.282 -5.470 -7.488 1.00 52.55 C ATOM 71 C GLY A 4 7.829 -5.898 -7.426 1.00 62.51 C ATOM 72 O GLY A 4 7.531 -7.088 -7.323 1.00 35.20 O ATOM 0 H GLY A 4 9.825 -3.449 -7.589 1.00 1.22 H new ATOM 0 HA2 GLY A 4 9.862 -6.238 -8.000 1.00 52.55 H new ATOM 0 HA3 GLY A 4 9.678 -5.392 -6.476 1.00 52.55 H new ATOM 76 N TRP A 5 6.925 -4.928 -7.487 1.00 73.12 N ATOM 77 CA TRP A 5 5.495 -5.212 -7.435 1.00 51.02 C ATOM 78 C TRP A 5 5.067 -6.070 -8.620 1.00 71.43 C ATOM 79 O TRP A 5 4.157 -6.893 -8.507 1.00 65.42 O ATOM 80 CB TRP A 5 4.696 -3.908 -7.419 1.00 35.10 C ATOM 81 CG TRP A 5 3.212 -4.121 -7.437 1.00 10.42 C ATOM 82 CD1 TRP A 5 2.382 -4.014 -8.516 1.00 33.41 C ATOM 83 CD2 TRP A 5 2.383 -4.474 -6.324 1.00 5.32 C ATOM 84 NE1 TRP A 5 1.087 -4.280 -8.141 1.00 32.23 N ATOM 85 CE2 TRP A 5 1.061 -4.566 -6.801 1.00 44.42 C ATOM 86 CE3 TRP A 5 2.630 -4.723 -4.971 1.00 72.11 C ATOM 87 CZ2 TRP A 5 -0.008 -4.895 -5.972 1.00 42.14 C ATOM 88 CZ3 TRP A 5 1.568 -5.050 -4.150 1.00 15.53 C ATOM 89 CH2 TRP A 5 0.262 -5.134 -4.652 1.00 43.13 C ATOM 0 H TRP A 5 7.156 -3.938 -7.572 1.00 73.12 H new ATOM 0 HA TRP A 5 5.293 -5.765 -6.518 1.00 51.02 H new ATOM 0 HB2 TRP A 5 4.963 -3.337 -6.530 1.00 35.10 H new ATOM 0 HB3 TRP A 5 4.980 -3.305 -8.282 1.00 35.10 H new ATOM 0 HD1 TRP A 5 2.697 -3.758 -9.517 1.00 33.41 H new ATOM 0 HE1 TRP A 5 0.276 -4.267 -8.760 1.00 32.23 H new ATOM 0 HE3 TRP A 5 3.633 -4.661 -4.575 1.00 72.11 H new ATOM 0 HZ2 TRP A 5 -1.015 -4.959 -6.357 1.00 42.14 H new ATOM 0 HZ3 TRP A 5 1.747 -5.244 -3.103 1.00 15.53 H new ATOM 0 HH2 TRP A 5 -0.547 -5.392 -3.984 1.00 43.13 H new ATOM 100 N LEU A 6 5.727 -5.874 -9.756 1.00 61.23 N ATOM 101 CA LEU A 6 5.415 -6.632 -10.963 1.00 54.44 C ATOM 102 C LEU A 6 6.067 -8.010 -10.926 1.00 10.24 C ATOM 103 O LEU A 6 5.554 -8.966 -11.506 1.00 63.20 O ATOM 104 CB LEU A 6 5.881 -5.868 -12.204 1.00 5.44 C ATOM 105 CG LEU A 6 4.960 -4.748 -12.689 1.00 32.03 C ATOM 106 CD1 LEU A 6 5.774 -3.565 -13.190 1.00 24.54 C ATOM 107 CD2 LEU A 6 4.030 -5.258 -13.780 1.00 50.01 C ATOM 0 H LEU A 6 6.482 -5.197 -9.867 1.00 61.23 H new ATOM 0 HA LEU A 6 4.334 -6.764 -11.009 1.00 54.44 H new ATOM 0 HB2 LEU A 6 6.861 -5.440 -11.995 1.00 5.44 H new ATOM 0 HB3 LEU A 6 6.011 -6.582 -13.018 1.00 5.44 H new ATOM 0 HG LEU A 6 4.353 -4.414 -11.848 1.00 32.03 H new ATOM 0 HD11 LEU A 6 5.101 -2.778 -13.531 1.00 24.54 H new ATOM 0 HD12 LEU A 6 6.398 -3.184 -12.381 1.00 24.54 H new ATOM 0 HD13 LEU A 6 6.408 -3.884 -14.017 1.00 24.54 H new ATOM 0 HD21 LEU A 6 3.382 -4.448 -14.113 1.00 50.01 H new ATOM 0 HD22 LEU A 6 4.621 -5.620 -14.622 1.00 50.01 H new ATOM 0 HD23 LEU A 6 3.421 -6.072 -13.388 1.00 50.01 H new ATOM 119 N ALA A 7 7.200 -8.104 -10.237 1.00 14.02 N ATOM 120 CA ALA A 7 7.920 -9.366 -10.119 1.00 53.15 C ATOM 121 C ALA A 7 7.041 -10.443 -9.493 1.00 72.33 C ATOM 122 O ALA A 7 7.255 -11.636 -9.710 1.00 44.13 O ATOM 123 CB ALA A 7 9.188 -9.176 -9.301 1.00 43.53 C ATOM 0 H ALA A 7 7.639 -7.321 -9.752 1.00 14.02 H new ATOM 0 HA ALA A 7 8.194 -9.695 -11.122 1.00 53.15 H new ATOM 0 HB1 ALA A 7 9.715 -10.127 -9.221 1.00 43.53 H new ATOM 0 HB2 ALA A 7 9.831 -8.444 -9.791 1.00 43.53 H new ATOM 0 HB3 ALA A 7 8.928 -8.821 -8.304 1.00 43.53 H new ATOM 129 N TRP A 8 6.053 -10.016 -8.716 1.00 55.22 N ATOM 130 CA TRP A 8 5.141 -10.945 -8.058 1.00 25.32 C ATOM 131 C TRP A 8 3.888 -11.165 -8.897 1.00 73.11 C ATOM 132 O TRP A 8 3.081 -12.049 -8.606 1.00 41.52 O ATOM 133 CB TRP A 8 4.758 -10.421 -6.673 1.00 52.21 C ATOM 134 CG TRP A 8 5.941 -10.098 -5.812 1.00 11.44 C ATOM 135 CD1 TRP A 8 7.213 -10.574 -5.953 1.00 73.44 C ATOM 136 CD2 TRP A 8 5.961 -9.228 -4.674 1.00 73.13 C ATOM 137 NE1 TRP A 8 8.022 -10.054 -4.973 1.00 1.33 N ATOM 138 CE2 TRP A 8 7.278 -9.224 -4.176 1.00 22.21 C ATOM 139 CE3 TRP A 8 4.995 -8.451 -4.030 1.00 14.21 C ATOM 140 CZ2 TRP A 8 7.651 -8.474 -3.063 1.00 74.43 C ATOM 141 CZ3 TRP A 8 5.366 -7.708 -2.926 1.00 12.53 C ATOM 142 CH2 TRP A 8 6.684 -7.723 -2.452 1.00 4.22 C ATOM 0 H TRP A 8 5.862 -9.032 -8.526 1.00 55.22 H new ATOM 0 HA TRP A 8 5.653 -11.901 -7.948 1.00 25.32 H new ATOM 0 HB2 TRP A 8 4.146 -9.526 -6.787 1.00 52.21 H new ATOM 0 HB3 TRP A 8 4.143 -11.166 -6.168 1.00 52.21 H new ATOM 0 HD1 TRP A 8 7.536 -11.259 -6.723 1.00 73.44 H new ATOM 0 HE1 TRP A 8 9.016 -10.253 -4.857 1.00 1.33 H new ATOM 0 HE3 TRP A 8 3.977 -8.432 -4.389 1.00 14.21 H new ATOM 0 HZ2 TRP A 8 8.667 -8.485 -2.696 1.00 74.43 H new ATOM 0 HZ3 TRP A 8 4.627 -7.105 -2.420 1.00 12.53 H new ATOM 0 HH2 TRP A 8 6.942 -7.130 -1.587 1.00 4.22 H new ATOM 153 N VAL A 9 3.729 -10.356 -9.940 1.00 65.31 N ATOM 154 CA VAL A 9 2.574 -10.464 -10.823 1.00 11.15 C ATOM 155 C VAL A 9 2.742 -11.613 -11.811 1.00 11.25 C ATOM 156 O VAL A 9 1.797 -12.352 -12.085 1.00 73.13 O ATOM 157 CB VAL A 9 2.342 -9.158 -11.605 1.00 50.14 C ATOM 158 CG1 VAL A 9 1.187 -9.319 -12.582 1.00 43.44 C ATOM 159 CG2 VAL A 9 2.085 -8.003 -10.649 1.00 45.35 C ATOM 0 H VAL A 9 4.386 -9.618 -10.194 1.00 65.31 H new ATOM 0 HA VAL A 9 1.708 -10.658 -10.190 1.00 11.15 H new ATOM 0 HB VAL A 9 3.242 -8.933 -12.177 1.00 50.14 H new ATOM 0 HG11 VAL A 9 1.038 -8.386 -13.126 1.00 43.44 H new ATOM 0 HG12 VAL A 9 1.416 -10.118 -13.288 1.00 43.44 H new ATOM 0 HG13 VAL A 9 0.279 -9.569 -12.034 1.00 43.44 H new ATOM 0 HG21 VAL A 9 1.923 -7.088 -11.219 1.00 45.35 H new ATOM 0 HG22 VAL A 9 1.201 -8.218 -10.048 1.00 45.35 H new ATOM 0 HG23 VAL A 9 2.946 -7.875 -9.994 1.00 45.35 H new ATOM 169 N ASP A 10 3.951 -11.757 -12.341 1.00 62.11 N ATOM 170 CA ASP A 10 4.245 -12.818 -13.298 1.00 54.42 C ATOM 171 C ASP A 10 5.739 -12.881 -13.598 1.00 51.43 C ATOM 172 O ASP A 10 6.199 -12.486 -14.670 1.00 70.10 O ATOM 173 CB ASP A 10 3.461 -12.597 -14.593 1.00 13.32 C ATOM 174 CG ASP A 10 2.183 -13.411 -14.642 1.00 70.21 C ATOM 175 OD1 ASP A 10 2.248 -14.634 -14.394 1.00 3.41 O ATOM 176 OD2 ASP A 10 1.118 -12.826 -14.928 1.00 74.30 O ATOM 0 H ASP A 10 4.744 -11.153 -12.125 1.00 62.11 H new ATOM 0 HA ASP A 10 3.942 -13.767 -12.856 1.00 54.42 H new ATOM 0 HB2 ASP A 10 3.218 -11.539 -14.691 1.00 13.32 H new ATOM 0 HB3 ASP A 10 4.089 -12.860 -15.444 1.00 13.32 H new ATOM 181 N PRO A 11 6.516 -13.387 -12.630 1.00 25.31 N ATOM 182 CA PRO A 11 7.971 -13.513 -12.767 1.00 35.31 C ATOM 183 C PRO A 11 8.367 -14.582 -13.780 1.00 31.13 C ATOM 184 O PRO A 11 9.390 -14.463 -14.453 1.00 73.15 O ATOM 185 CB PRO A 11 8.426 -13.913 -11.361 1.00 72.43 C ATOM 186 CG PRO A 11 7.238 -14.574 -10.752 1.00 33.10 C ATOM 187 CD PRO A 11 6.036 -13.877 -11.327 1.00 11.21 C ATOM 0 HA PRO A 11 8.428 -12.593 -13.132 1.00 35.31 H new ATOM 0 HB2 PRO A 11 9.280 -14.590 -11.399 1.00 72.43 H new ATOM 0 HB3 PRO A 11 8.735 -13.043 -10.782 1.00 72.43 H new ATOM 0 HG2 PRO A 11 7.221 -15.638 -10.986 1.00 33.10 H new ATOM 0 HG3 PRO A 11 7.257 -14.487 -9.666 1.00 33.10 H new ATOM 0 HD2 PRO A 11 5.192 -14.558 -11.440 1.00 11.21 H new ATOM 0 HD3 PRO A 11 5.702 -13.059 -10.688 1.00 11.21 H new ATOM 195 N ALA A 12 7.550 -15.626 -13.882 1.00 4.21 N ATOM 196 CA ALA A 12 7.815 -16.714 -14.814 1.00 61.35 C ATOM 197 C ALA A 12 7.777 -16.222 -16.257 1.00 65.34 C ATOM 198 O ALA A 12 8.632 -16.581 -17.068 1.00 50.31 O ATOM 199 CB ALA A 12 6.810 -17.839 -14.612 1.00 5.21 C ATOM 0 H ALA A 12 6.700 -15.740 -13.330 1.00 4.21 H new ATOM 0 HA ALA A 12 8.816 -17.095 -14.613 1.00 61.35 H new ATOM 0 HB1 ALA A 12 7.020 -18.645 -15.315 1.00 5.21 H new ATOM 0 HB2 ALA A 12 6.887 -18.217 -13.593 1.00 5.21 H new ATOM 0 HB3 ALA A 12 5.802 -17.461 -14.783 1.00 5.21 H new ATOM 205 N TYR A 13 6.782 -15.401 -16.571 1.00 42.44 N ATOM 206 CA TYR A 13 6.632 -14.862 -17.918 1.00 33.00 C ATOM 207 C TYR A 13 7.933 -14.228 -18.400 1.00 10.13 C ATOM 208 O TYR A 13 8.541 -14.690 -19.364 1.00 71.34 O ATOM 209 CB TYR A 13 5.504 -13.829 -17.954 1.00 2.04 C ATOM 210 CG TYR A 13 4.828 -13.717 -19.301 1.00 73.23 C ATOM 211 CD1 TYR A 13 5.558 -13.416 -20.444 1.00 44.12 C ATOM 212 CD2 TYR A 13 3.458 -13.912 -19.432 1.00 3.33 C ATOM 213 CE1 TYR A 13 4.945 -13.312 -21.678 1.00 13.05 C ATOM 214 CE2 TYR A 13 2.837 -13.811 -20.661 1.00 75.32 C ATOM 215 CZ TYR A 13 3.584 -13.511 -21.781 1.00 32.11 C ATOM 216 OH TYR A 13 2.968 -13.409 -23.007 1.00 51.32 O ATOM 0 H TYR A 13 6.067 -15.094 -15.912 1.00 42.44 H new ATOM 0 HA TYR A 13 6.382 -15.687 -18.586 1.00 33.00 H new ATOM 0 HB2 TYR A 13 4.758 -14.091 -17.204 1.00 2.04 H new ATOM 0 HB3 TYR A 13 5.906 -12.855 -17.677 1.00 2.04 H new ATOM 0 HD1 TYR A 13 6.624 -13.260 -20.367 1.00 44.12 H new ATOM 0 HD2 TYR A 13 2.869 -14.147 -18.557 1.00 3.33 H new ATOM 0 HE1 TYR A 13 5.528 -13.076 -22.556 1.00 13.05 H new ATOM 0 HE2 TYR A 13 1.772 -13.966 -20.745 1.00 75.32 H new ATOM 0 HH TYR A 13 2.008 -13.579 -22.906 1.00 51.32 H new ATOM 226 N GLU A 14 8.354 -13.166 -17.719 1.00 73.22 N ATOM 227 CA GLU A 14 9.583 -12.468 -18.078 1.00 13.05 C ATOM 228 C GLU A 14 10.784 -13.406 -17.998 1.00 40.35 C ATOM 229 O GLU A 14 11.741 -13.273 -18.762 1.00 53.10 O ATOM 230 CB GLU A 14 9.799 -11.265 -17.157 1.00 22.22 C ATOM 231 CG GLU A 14 11.164 -10.616 -17.315 1.00 13.43 C ATOM 232 CD GLU A 14 11.155 -9.144 -16.948 1.00 63.31 C ATOM 233 OE1 GLU A 14 10.146 -8.468 -17.236 1.00 14.33 O ATOM 234 OE2 GLU A 14 12.157 -8.669 -16.374 1.00 64.43 O ATOM 0 H GLU A 14 7.863 -12.771 -16.917 1.00 73.22 H new ATOM 0 HA GLU A 14 9.486 -12.117 -19.105 1.00 13.05 H new ATOM 0 HB2 GLU A 14 9.027 -10.522 -17.357 1.00 22.22 H new ATOM 0 HB3 GLU A 14 9.675 -11.583 -16.122 1.00 22.22 H new ATOM 0 HG2 GLU A 14 11.886 -11.139 -16.688 1.00 13.43 H new ATOM 0 HG3 GLU A 14 11.498 -10.728 -18.346 1.00 13.43 H new ATOM 241 N PHE A 15 10.727 -14.353 -17.069 1.00 21.53 N ATOM 242 CA PHE A 15 11.810 -15.313 -16.888 1.00 3.13 C ATOM 243 C PHE A 15 11.976 -16.187 -18.128 1.00 15.14 C ATOM 244 O PHE A 15 13.091 -16.558 -18.494 1.00 40.10 O ATOM 245 CB PHE A 15 11.543 -16.191 -15.663 1.00 43.42 C ATOM 246 CG PHE A 15 12.675 -17.123 -15.336 1.00 14.34 C ATOM 247 CD1 PHE A 15 12.805 -18.334 -15.996 1.00 4.40 C ATOM 248 CD2 PHE A 15 13.607 -16.788 -14.367 1.00 31.03 C ATOM 249 CE1 PHE A 15 13.846 -19.194 -15.697 1.00 55.42 C ATOM 250 CE2 PHE A 15 14.649 -17.644 -14.064 1.00 43.41 C ATOM 251 CZ PHE A 15 14.768 -18.848 -14.729 1.00 60.42 C ATOM 0 H PHE A 15 9.942 -14.477 -16.429 1.00 21.53 H new ATOM 0 HA PHE A 15 12.733 -14.755 -16.732 1.00 3.13 H new ATOM 0 HB2 PHE A 15 11.350 -15.551 -14.802 1.00 43.42 H new ATOM 0 HB3 PHE A 15 10.639 -16.776 -15.835 1.00 43.42 H new ATOM 0 HD1 PHE A 15 12.085 -18.610 -16.753 1.00 4.40 H new ATOM 0 HD2 PHE A 15 13.518 -15.848 -13.843 1.00 31.03 H new ATOM 0 HE1 PHE A 15 13.938 -20.135 -16.220 1.00 55.42 H new ATOM 0 HE2 PHE A 15 15.370 -17.371 -13.307 1.00 43.41 H new ATOM 0 HZ PHE A 15 15.581 -19.518 -14.492 1.00 60.42 H new ATOM 261 N ILE A 16 10.858 -16.512 -18.768 1.00 53.11 N ATOM 262 CA ILE A 16 10.878 -17.341 -19.967 1.00 22.45 C ATOM 263 C ILE A 16 11.455 -16.578 -21.154 1.00 13.31 C ATOM 264 O ILE A 16 12.202 -17.133 -21.960 1.00 12.40 O ATOM 265 CB ILE A 16 9.468 -17.842 -20.329 1.00 34.33 C ATOM 266 CG1 ILE A 16 8.877 -18.650 -19.171 1.00 72.24 C ATOM 267 CG2 ILE A 16 9.513 -18.680 -21.598 1.00 13.11 C ATOM 268 CD1 ILE A 16 7.400 -18.404 -18.954 1.00 42.14 C ATOM 0 H ILE A 16 9.927 -16.214 -18.476 1.00 53.11 H new ATOM 0 HA ILE A 16 11.514 -18.199 -19.746 1.00 22.45 H new ATOM 0 HB ILE A 16 8.827 -16.979 -20.509 1.00 34.33 H new ATOM 0 HG12 ILE A 16 9.036 -19.711 -19.361 1.00 72.24 H new ATOM 0 HG13 ILE A 16 9.416 -18.406 -18.256 1.00 72.24 H new ATOM 0 HG21 ILE A 16 8.509 -19.027 -21.841 1.00 13.11 H new ATOM 0 HG22 ILE A 16 9.897 -18.075 -22.420 1.00 13.11 H new ATOM 0 HG23 ILE A 16 10.166 -19.539 -21.444 1.00 13.11 H new ATOM 0 HD11 ILE A 16 7.049 -19.009 -18.118 1.00 42.14 H new ATOM 0 HD12 ILE A 16 7.235 -17.349 -18.733 1.00 42.14 H new ATOM 0 HD13 ILE A 16 6.850 -18.676 -19.855 1.00 42.14 H new ATOM 280 N LYS A 17 11.104 -15.300 -21.255 1.00 23.00 N ATOM 281 CA LYS A 17 11.589 -14.457 -22.342 1.00 35.13 C ATOM 282 C LYS A 17 13.038 -14.045 -22.106 1.00 41.11 C ATOM 283 O LYS A 17 13.938 -14.462 -22.833 1.00 63.42 O ATOM 284 CB LYS A 17 10.709 -13.212 -22.480 1.00 22.14 C ATOM 285 CG LYS A 17 9.229 -13.488 -22.282 1.00 32.14 C ATOM 286 CD LYS A 17 8.369 -12.479 -23.025 1.00 22.42 C ATOM 287 CE LYS A 17 7.931 -13.012 -24.380 1.00 71.13 C ATOM 288 NZ LYS A 17 9.079 -13.156 -25.318 1.00 2.24 N ATOM 0 H LYS A 17 10.485 -14.825 -20.597 1.00 23.00 H new ATOM 0 HA LYS A 17 11.540 -15.034 -23.266 1.00 35.13 H new ATOM 0 HB2 LYS A 17 11.032 -12.467 -21.753 1.00 22.14 H new ATOM 0 HB3 LYS A 17 10.860 -12.778 -23.469 1.00 22.14 H new ATOM 0 HG2 LYS A 17 8.996 -14.494 -22.632 1.00 32.14 H new ATOM 0 HG3 LYS A 17 8.991 -13.457 -21.219 1.00 32.14 H new ATOM 0 HD2 LYS A 17 7.491 -12.237 -22.427 1.00 22.42 H new ATOM 0 HD3 LYS A 17 8.927 -11.553 -23.160 1.00 22.42 H new ATOM 0 HE2 LYS A 17 7.445 -13.979 -24.250 1.00 71.13 H new ATOM 0 HE3 LYS A 17 7.191 -12.339 -24.813 1.00 71.13 H new ATOM 0 HZ1 LYS A 17 8.728 -13.441 -26.255 1.00 2.24 H new ATOM 0 HZ2 LYS A 17 9.579 -12.247 -25.397 1.00 2.24 H new ATOM 0 HZ3 LYS A 17 9.732 -13.881 -24.958 1.00 2.24 H new ATOM 302 N GLY A 18 13.257 -13.224 -21.083 1.00 54.44 N ATOM 303 CA GLY A 18 14.599 -12.770 -20.770 1.00 21.32 C ATOM 304 C GLY A 18 15.095 -11.714 -21.737 1.00 11.53 C ATOM 305 O GLY A 18 16.293 -11.440 -21.808 1.00 63.21 O ATOM 0 H GLY A 18 12.529 -12.865 -20.466 1.00 54.44 H new ATOM 0 HA2 GLY A 18 14.616 -12.367 -19.757 1.00 21.32 H new ATOM 0 HA3 GLY A 18 15.280 -13.621 -20.786 1.00 21.32 H new ATOM 309 N PHE A 19 14.172 -11.118 -22.485 1.00 33.34 N ATOM 310 CA PHE A 19 14.522 -10.087 -23.455 1.00 31.24 C ATOM 311 C PHE A 19 13.269 -9.476 -24.075 1.00 12.13 C ATOM 312 O PHE A 19 12.261 -10.156 -24.263 1.00 40.20 O ATOM 313 CB PHE A 19 15.415 -10.671 -24.551 1.00 74.05 C ATOM 314 CG PHE A 19 14.700 -11.633 -25.457 1.00 62.11 C ATOM 315 CD1 PHE A 19 13.998 -11.175 -26.561 1.00 23.25 C ATOM 316 CD2 PHE A 19 14.731 -12.995 -25.205 1.00 60.23 C ATOM 317 CE1 PHE A 19 13.339 -12.058 -27.395 1.00 24.32 C ATOM 318 CE2 PHE A 19 14.074 -13.883 -26.036 1.00 63.25 C ATOM 319 CZ PHE A 19 13.378 -13.414 -27.133 1.00 45.03 C ATOM 0 H PHE A 19 13.176 -11.332 -22.438 1.00 33.34 H new ATOM 0 HA PHE A 19 15.067 -9.301 -22.932 1.00 31.24 H new ATOM 0 HB2 PHE A 19 15.823 -9.856 -25.149 1.00 74.05 H new ATOM 0 HB3 PHE A 19 16.260 -11.180 -24.087 1.00 74.05 H new ATOM 0 HD1 PHE A 19 13.966 -10.116 -26.772 1.00 23.25 H new ATOM 0 HD2 PHE A 19 15.275 -13.367 -24.349 1.00 60.23 H new ATOM 0 HE1 PHE A 19 12.794 -11.688 -28.251 1.00 24.32 H new ATOM 0 HE2 PHE A 19 14.105 -14.942 -25.828 1.00 63.25 H new ATOM 0 HZ PHE A 19 12.865 -14.106 -27.785 1.00 45.03 H new ATOM 329 N GLY A 20 13.340 -8.186 -24.390 1.00 24.03 N ATOM 330 CA GLY A 20 12.206 -7.504 -24.984 1.00 41.44 C ATOM 331 C GLY A 20 11.556 -6.520 -24.031 1.00 64.13 C ATOM 332 O GLY A 20 10.333 -6.389 -24.001 1.00 35.12 O ATOM 0 H GLY A 20 14.163 -7.602 -24.244 1.00 24.03 H new ATOM 0 HA2 GLY A 20 12.532 -6.976 -25.880 1.00 41.44 H new ATOM 0 HA3 GLY A 20 11.468 -8.241 -25.300 1.00 41.44 H new ATOM 336 N LYS A 21 12.377 -5.827 -23.249 1.00 33.01 N ATOM 337 CA LYS A 21 11.876 -4.850 -22.289 1.00 60.21 C ATOM 338 C LYS A 21 12.993 -3.919 -21.828 1.00 55.21 C ATOM 339 O LYS A 21 12.781 -2.719 -21.654 1.00 63.41 O ATOM 340 CB LYS A 21 11.259 -5.560 -21.082 1.00 71.52 C ATOM 341 CG LYS A 21 12.041 -6.782 -20.630 1.00 13.41 C ATOM 342 CD LYS A 21 11.554 -8.043 -21.323 1.00 64.31 C ATOM 343 CE LYS A 21 11.063 -9.076 -20.320 1.00 62.24 C ATOM 344 NZ LYS A 21 9.634 -8.864 -19.961 1.00 11.14 N ATOM 0 H LYS A 21 13.392 -5.924 -23.261 1.00 33.01 H new ATOM 0 HA LYS A 21 11.109 -4.253 -22.782 1.00 60.21 H new ATOM 0 HB2 LYS A 21 11.190 -4.856 -20.253 1.00 71.52 H new ATOM 0 HB3 LYS A 21 10.241 -5.861 -21.329 1.00 71.52 H new ATOM 0 HG2 LYS A 21 13.100 -6.636 -20.841 1.00 13.41 H new ATOM 0 HG3 LYS A 21 11.944 -6.898 -19.551 1.00 13.41 H new ATOM 0 HD2 LYS A 21 10.748 -7.792 -22.013 1.00 64.31 H new ATOM 0 HD3 LYS A 21 12.362 -8.468 -21.918 1.00 64.31 H new ATOM 0 HE2 LYS A 21 11.188 -10.075 -20.737 1.00 62.24 H new ATOM 0 HE3 LYS A 21 11.675 -9.027 -19.419 1.00 62.24 H new ATOM 0 HZ1 LYS A 21 9.556 -8.677 -18.941 1.00 11.14 H new ATOM 0 HZ2 LYS A 21 9.260 -8.052 -20.492 1.00 11.14 H new ATOM 0 HZ3 LYS A 21 9.086 -9.715 -20.199 1.00 11.14 H new ATOM 358 N GLY A 22 14.182 -4.479 -21.633 1.00 64.51 N ATOM 359 CA GLY A 22 15.314 -3.684 -21.195 1.00 45.04 C ATOM 360 C GLY A 22 16.641 -4.367 -21.463 1.00 40.11 C ATOM 361 O GLY A 22 17.619 -3.716 -21.828 1.00 44.22 O ATOM 0 H GLY A 22 14.382 -5.470 -21.771 1.00 64.51 H new ATOM 0 HA2 GLY A 22 15.296 -2.720 -21.704 1.00 45.04 H new ATOM 0 HA3 GLY A 22 15.221 -3.483 -20.128 1.00 45.04 H new ATOM 365 N ALA A 23 16.675 -5.683 -21.280 1.00 10.33 N ATOM 366 CA ALA A 23 17.891 -6.454 -21.504 1.00 62.22 C ATOM 367 C ALA A 23 18.411 -6.258 -22.924 1.00 63.22 C ATOM 368 O ALA A 23 19.562 -5.868 -23.125 1.00 72.03 O ATOM 369 CB ALA A 23 17.638 -7.930 -21.232 1.00 2.54 C ATOM 0 H ALA A 23 15.874 -6.237 -20.977 1.00 10.33 H new ATOM 0 HA ALA A 23 18.653 -6.094 -20.813 1.00 62.22 H new ATOM 0 HB1 ALA A 23 18.555 -8.494 -21.403 1.00 2.54 H new ATOM 0 HB2 ALA A 23 17.320 -8.060 -20.198 1.00 2.54 H new ATOM 0 HB3 ALA A 23 16.858 -8.295 -21.900 1.00 2.54 H new ATOM 375 N ILE A 24 17.558 -6.532 -23.905 1.00 13.10 N ATOM 376 CA ILE A 24 17.932 -6.385 -25.306 1.00 1.10 C ATOM 377 C ILE A 24 17.855 -4.927 -25.746 1.00 15.13 C ATOM 378 O ILE A 24 18.599 -4.491 -26.625 1.00 34.24 O ATOM 379 CB ILE A 24 17.031 -7.234 -26.222 1.00 32.24 C ATOM 380 CG1 ILE A 24 17.619 -7.301 -27.633 1.00 14.23 C ATOM 381 CG2 ILE A 24 15.621 -6.663 -26.255 1.00 44.54 C ATOM 382 CD1 ILE A 24 18.943 -8.029 -27.702 1.00 54.01 C ATOM 0 H ILE A 24 16.603 -6.857 -23.755 1.00 13.10 H new ATOM 0 HA ILE A 24 18.960 -6.735 -25.396 1.00 1.10 H new ATOM 0 HB ILE A 24 16.982 -8.247 -25.822 1.00 32.24 H new ATOM 0 HG12 ILE A 24 16.906 -7.797 -28.292 1.00 14.23 H new ATOM 0 HG13 ILE A 24 17.751 -6.287 -28.011 1.00 14.23 H new ATOM 0 HG21 ILE A 24 14.996 -7.274 -26.907 1.00 44.54 H new ATOM 0 HG22 ILE A 24 15.204 -6.664 -25.248 1.00 44.54 H new ATOM 0 HG23 ILE A 24 15.651 -5.642 -26.634 1.00 44.54 H new ATOM 0 HD11 ILE A 24 19.300 -8.038 -28.732 1.00 54.01 H new ATOM 0 HD12 ILE A 24 19.671 -7.521 -27.070 1.00 54.01 H new ATOM 0 HD13 ILE A 24 18.813 -9.054 -27.354 1.00 54.01 H new ATOM 394 N LYS A 25 16.950 -4.176 -25.127 1.00 53.44 N ATOM 395 CA LYS A 25 16.776 -2.765 -25.451 1.00 55.34 C ATOM 396 C LYS A 25 18.033 -1.970 -25.115 1.00 2.20 C ATOM 397 O LYS A 25 18.551 -1.228 -25.949 1.00 71.45 O ATOM 398 CB LYS A 25 15.578 -2.190 -24.692 1.00 13.10 C ATOM 399 CG LYS A 25 15.574 -0.673 -24.620 1.00 42.31 C ATOM 400 CD LYS A 25 14.175 -0.109 -24.800 1.00 34.15 C ATOM 401 CE LYS A 25 13.240 -0.575 -23.693 1.00 43.43 C ATOM 402 NZ LYS A 25 12.589 0.571 -22.999 1.00 74.42 N ATOM 0 H LYS A 25 16.326 -4.521 -24.398 1.00 53.44 H new ATOM 0 HA LYS A 25 16.592 -2.684 -26.522 1.00 55.34 H new ATOM 0 HB2 LYS A 25 14.659 -2.525 -25.173 1.00 13.10 H new ATOM 0 HB3 LYS A 25 15.573 -2.593 -23.679 1.00 13.10 H new ATOM 0 HG2 LYS A 25 15.975 -0.353 -23.659 1.00 42.31 H new ATOM 0 HG3 LYS A 25 16.232 -0.270 -25.390 1.00 42.31 H new ATOM 0 HD2 LYS A 25 14.219 0.980 -24.807 1.00 34.15 H new ATOM 0 HD3 LYS A 25 13.778 -0.418 -25.767 1.00 34.15 H new ATOM 0 HE2 LYS A 25 12.475 -1.227 -24.114 1.00 43.43 H new ATOM 0 HE3 LYS A 25 13.800 -1.167 -22.969 1.00 43.43 H new ATOM 0 HZ1 LYS A 25 11.960 0.213 -22.252 1.00 74.42 H new ATOM 0 HZ2 LYS A 25 13.318 1.180 -22.575 1.00 74.42 H new ATOM 0 HZ3 LYS A 25 12.034 1.122 -23.684 1.00 74.42 H new ATOM 416 N GLU A 26 18.519 -2.131 -23.888 1.00 64.23 N ATOM 417 CA GLU A 26 19.717 -1.428 -23.443 1.00 61.44 C ATOM 418 C GLU A 26 20.971 -2.052 -24.049 1.00 71.54 C ATOM 419 O GLU A 26 22.076 -1.536 -23.886 1.00 34.41 O ATOM 420 CB GLU A 26 19.810 -1.450 -21.916 1.00 65.03 C ATOM 421 CG GLU A 26 20.313 -2.770 -21.356 1.00 1.11 C ATOM 422 CD GLU A 26 21.747 -2.689 -20.869 1.00 51.30 C ATOM 423 OE1 GLU A 26 22.058 -1.761 -20.093 1.00 54.42 O ATOM 424 OE2 GLU A 26 22.558 -3.552 -21.264 1.00 32.34 O ATOM 0 H GLU A 26 18.102 -2.741 -23.185 1.00 64.23 H new ATOM 0 HA GLU A 26 19.647 -0.394 -23.781 1.00 61.44 H new ATOM 0 HB2 GLU A 26 20.474 -0.650 -21.589 1.00 65.03 H new ATOM 0 HB3 GLU A 26 18.826 -1.239 -21.497 1.00 65.03 H new ATOM 0 HG2 GLU A 26 19.670 -3.079 -20.532 1.00 1.11 H new ATOM 0 HG3 GLU A 26 20.237 -3.539 -22.125 1.00 1.11 H new ATOM 431 N GLY A 27 20.790 -3.168 -24.750 1.00 62.02 N ATOM 432 CA GLY A 27 21.914 -3.845 -25.370 1.00 25.25 C ATOM 433 C GLY A 27 22.103 -3.448 -26.820 1.00 42.31 C ATOM 434 O GLY A 27 23.212 -3.124 -27.242 1.00 43.34 O ATOM 0 H GLY A 27 19.885 -3.615 -24.899 1.00 62.02 H new ATOM 0 HA2 GLY A 27 22.823 -3.618 -24.813 1.00 25.25 H new ATOM 0 HA3 GLY A 27 21.764 -4.923 -25.308 1.00 25.25 H new ATOM 438 N ASN A 28 21.017 -3.474 -27.585 1.00 71.04 N ATOM 439 CA ASN A 28 21.068 -3.116 -28.998 1.00 45.32 C ATOM 440 C ASN A 28 21.288 -1.616 -29.171 1.00 41.22 C ATOM 441 O ASN A 28 21.954 -1.179 -30.110 1.00 51.41 O ATOM 442 CB ASN A 28 19.776 -3.538 -29.700 1.00 42.42 C ATOM 443 CG ASN A 28 18.686 -2.489 -29.584 1.00 64.32 C ATOM 444 OD1 ASN A 28 18.365 -1.802 -30.554 1.00 21.02 O ATOM 445 ND2 ASN A 28 18.112 -2.362 -28.394 1.00 23.24 N ATOM 0 H ASN A 28 20.091 -3.739 -27.250 1.00 71.04 H new ATOM 0 HA ASN A 28 21.908 -3.643 -29.451 1.00 45.32 H new ATOM 0 HB2 ASN A 28 19.983 -3.728 -30.753 1.00 42.42 H new ATOM 0 HB3 ASN A 28 19.422 -4.475 -29.271 1.00 42.42 H new ATOM 0 HD21 ASN A 28 17.373 -1.673 -28.255 1.00 23.24 H new ATOM 0 HD22 ASN A 28 18.410 -2.953 -27.618 1.00 23.24 H new ATOM 452 N LYS A 29 20.724 -0.832 -28.259 1.00 3.33 N ATOM 453 CA LYS A 29 20.859 0.619 -28.308 1.00 11.35 C ATOM 454 C LYS A 29 22.234 1.055 -27.811 1.00 52.20 C ATOM 455 O LYS A 29 22.732 2.117 -28.186 1.00 71.44 O ATOM 456 CB LYS A 29 19.767 1.282 -27.465 1.00 11.11 C ATOM 457 CG LYS A 29 20.038 1.233 -25.971 1.00 55.11 C ATOM 458 CD LYS A 29 18.807 1.622 -25.168 1.00 44.35 C ATOM 459 CE LYS A 29 19.166 2.534 -24.005 1.00 43.44 C ATOM 460 NZ LYS A 29 18.560 3.886 -24.153 1.00 51.41 N ATOM 0 H LYS A 29 20.169 -1.177 -27.476 1.00 3.33 H new ATOM 0 HA LYS A 29 20.750 0.934 -29.346 1.00 11.35 H new ATOM 0 HB2 LYS A 29 19.663 2.322 -27.773 1.00 11.11 H new ATOM 0 HB3 LYS A 29 18.815 0.793 -27.669 1.00 11.11 H new ATOM 0 HG2 LYS A 29 20.354 0.228 -25.690 1.00 55.11 H new ATOM 0 HG3 LYS A 29 20.860 1.906 -25.727 1.00 55.11 H new ATOM 0 HD2 LYS A 29 18.091 2.124 -25.818 1.00 44.35 H new ATOM 0 HD3 LYS A 29 18.319 0.724 -24.790 1.00 44.35 H new ATOM 0 HE2 LYS A 29 18.826 2.084 -23.072 1.00 43.44 H new ATOM 0 HE3 LYS A 29 20.250 2.627 -23.938 1.00 43.44 H new ATOM 0 HZ1 LYS A 29 18.828 4.477 -23.341 1.00 51.41 H new ATOM 0 HZ2 LYS A 29 18.904 4.326 -25.030 1.00 51.41 H new ATOM 0 HZ3 LYS A 29 17.524 3.800 -24.192 1.00 51.41 H new ATOM 474 N ASP A 30 22.842 0.229 -26.967 1.00 10.20 N ATOM 475 CA ASP A 30 24.161 0.528 -26.421 1.00 52.42 C ATOM 476 C ASP A 30 25.261 0.024 -27.350 1.00 74.31 C ATOM 477 O ASP A 30 26.444 0.071 -27.013 1.00 33.45 O ATOM 478 CB ASP A 30 24.318 -0.101 -25.036 1.00 13.41 C ATOM 479 CG ASP A 30 25.604 0.318 -24.352 1.00 44.13 C ATOM 480 OD1 ASP A 30 26.169 1.362 -24.740 1.00 64.22 O ATOM 481 OD2 ASP A 30 26.047 -0.398 -23.430 1.00 21.51 O ATOM 0 H ASP A 30 22.443 -0.653 -26.646 1.00 10.20 H new ATOM 0 HA ASP A 30 24.253 1.610 -26.332 1.00 52.42 H new ATOM 0 HB2 ASP A 30 23.470 0.183 -24.413 1.00 13.41 H new ATOM 0 HB3 ASP A 30 24.296 -1.187 -25.129 1.00 13.41 H new ATOM 486 N LYS A 31 24.862 -0.460 -28.522 1.00 25.22 N ATOM 487 CA LYS A 31 25.813 -0.974 -29.501 1.00 20.02 C ATOM 488 C LYS A 31 26.706 0.143 -30.030 1.00 44.31 C ATOM 489 O LYS A 31 27.875 -0.081 -30.345 1.00 2.32 O ATOM 490 CB LYS A 31 25.071 -1.641 -30.661 1.00 60.21 C ATOM 491 CG LYS A 31 24.302 -2.886 -30.255 1.00 72.55 C ATOM 492 CD LYS A 31 25.235 -3.990 -29.786 1.00 71.24 C ATOM 493 CE LYS A 31 24.709 -5.365 -30.170 1.00 10.04 C ATOM 494 NZ LYS A 31 25.728 -6.163 -30.905 1.00 61.45 N ATOM 0 H LYS A 31 23.887 -0.507 -28.817 1.00 25.22 H new ATOM 0 HA LYS A 31 26.442 -1.714 -29.006 1.00 20.02 H new ATOM 0 HB2 LYS A 31 24.378 -0.923 -31.099 1.00 60.21 H new ATOM 0 HB3 LYS A 31 25.789 -1.905 -31.437 1.00 60.21 H new ATOM 0 HG2 LYS A 31 23.601 -2.638 -29.458 1.00 72.55 H new ATOM 0 HG3 LYS A 31 23.712 -3.242 -31.100 1.00 72.55 H new ATOM 0 HD2 LYS A 31 26.223 -3.842 -30.222 1.00 71.24 H new ATOM 0 HD3 LYS A 31 25.352 -3.933 -28.704 1.00 71.24 H new ATOM 0 HE2 LYS A 31 24.406 -5.902 -29.271 1.00 10.04 H new ATOM 0 HE3 LYS A 31 23.819 -5.253 -30.789 1.00 10.04 H new ATOM 0 HZ1 LYS A 31 25.331 -7.093 -31.149 1.00 61.45 H new ATOM 0 HZ2 LYS A 31 25.999 -5.663 -31.776 1.00 61.45 H new ATOM 0 HZ3 LYS A 31 26.567 -6.292 -30.305 1.00 61.45 H new ATOM 508 N TRP A 32 26.149 1.345 -30.124 1.00 45.22 N ATOM 509 CA TRP A 32 26.897 2.498 -30.614 1.00 62.42 C ATOM 510 C TRP A 32 28.203 2.666 -29.845 1.00 52.41 C ATOM 511 O TRP A 32 29.188 3.178 -30.378 1.00 72.43 O ATOM 512 CB TRP A 32 26.053 3.767 -30.495 1.00 51.40 C ATOM 513 CG TRP A 32 25.892 4.244 -29.083 1.00 65.30 C ATOM 514 CD1 TRP A 32 25.388 3.534 -28.031 1.00 30.10 C ATOM 515 CD2 TRP A 32 26.236 5.535 -28.570 1.00 44.40 C ATOM 516 NE1 TRP A 32 25.398 4.307 -26.895 1.00 34.32 N ATOM 517 CE2 TRP A 32 25.914 5.538 -27.199 1.00 1.43 C ATOM 518 CE3 TRP A 32 26.787 6.689 -29.135 1.00 21.12 C ATOM 519 CZ2 TRP A 32 26.124 6.650 -26.388 1.00 11.35 C ATOM 520 CZ3 TRP A 32 26.994 7.792 -28.328 1.00 63.24 C ATOM 521 CH2 TRP A 32 26.664 7.766 -26.967 1.00 2.11 C ATOM 0 H TRP A 32 25.183 1.547 -29.868 1.00 45.22 H new ATOM 0 HA TRP A 32 27.135 2.326 -31.664 1.00 62.42 H new ATOM 0 HB2 TRP A 32 26.513 4.558 -31.088 1.00 51.40 H new ATOM 0 HB3 TRP A 32 25.068 3.581 -30.922 1.00 51.40 H new ATOM 0 HD1 TRP A 32 25.034 2.515 -28.084 1.00 30.10 H new ATOM 0 HE1 TRP A 32 25.073 4.011 -25.974 1.00 34.32 H new ATOM 0 HE3 TRP A 32 27.046 6.718 -30.183 1.00 21.12 H new ATOM 0 HZ2 TRP A 32 25.870 6.632 -25.339 1.00 11.35 H new ATOM 0 HZ3 TRP A 32 27.418 8.689 -28.754 1.00 63.24 H new ATOM 0 HH2 TRP A 32 26.839 8.644 -26.363 1.00 2.11 H new ATOM 532 N LYS A 33 28.205 2.234 -28.589 1.00 33.42 N ATOM 533 CA LYS A 33 29.390 2.335 -27.746 1.00 1.11 C ATOM 534 C LYS A 33 30.574 1.614 -28.382 1.00 72.33 C ATOM 535 O LYS A 33 31.729 1.939 -28.112 1.00 51.23 O ATOM 536 CB LYS A 33 29.107 1.750 -26.360 1.00 65.24 C ATOM 537 CG LYS A 33 30.215 2.008 -25.354 1.00 21.24 C ATOM 538 CD LYS A 33 30.263 3.469 -24.939 1.00 35.20 C ATOM 539 CE LYS A 33 31.294 3.705 -23.847 1.00 5.12 C ATOM 540 NZ LYS A 33 31.222 5.090 -23.306 1.00 1.54 N ATOM 0 H LYS A 33 27.398 1.810 -28.132 1.00 33.42 H new ATOM 0 HA LYS A 33 29.643 3.390 -27.643 1.00 1.11 H new ATOM 0 HB2 LYS A 33 28.177 2.172 -25.980 1.00 65.24 H new ATOM 0 HB3 LYS A 33 28.955 0.675 -26.453 1.00 65.24 H new ATOM 0 HG2 LYS A 33 30.061 1.384 -24.474 1.00 21.24 H new ATOM 0 HG3 LYS A 33 31.174 1.720 -25.785 1.00 21.24 H new ATOM 0 HD2 LYS A 33 30.501 4.087 -25.805 1.00 35.20 H new ATOM 0 HD3 LYS A 33 29.280 3.780 -24.586 1.00 35.20 H new ATOM 0 HE2 LYS A 33 31.137 2.991 -23.039 1.00 5.12 H new ATOM 0 HE3 LYS A 33 32.292 3.522 -24.244 1.00 5.12 H new ATOM 0 HZ1 LYS A 33 31.941 5.211 -22.564 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 31.397 5.771 -24.072 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 30.278 5.257 -22.904 1.00 1.54 H new ATOM 554 N ASN A 34 30.278 0.634 -29.230 1.00 35.53 N ATOM 555 CA ASN A 34 31.318 -0.133 -29.905 1.00 60.14 C ATOM 556 C ASN A 34 31.907 0.657 -31.070 1.00 12.41 C ATOM 557 O ASN A 34 31.672 0.334 -32.235 1.00 22.35 O ATOM 558 CB ASN A 34 30.754 -1.463 -30.410 1.00 42.25 C ATOM 559 CG ASN A 34 30.278 -2.355 -29.281 1.00 23.44 C ATOM 560 OD1 ASN A 34 29.308 -2.040 -28.592 1.00 74.13 O ATOM 561 ND2 ASN A 34 30.962 -3.477 -29.085 1.00 1.24 N ATOM 0 H ASN A 34 29.326 0.353 -29.466 1.00 35.53 H new ATOM 0 HA ASN A 34 32.112 -0.332 -29.185 1.00 60.14 H new ATOM 0 HB2 ASN A 34 29.924 -1.268 -31.090 1.00 42.25 H new ATOM 0 HB3 ASN A 34 31.520 -1.985 -30.983 1.00 42.25 H new ATOM 0 HD21 ASN A 34 30.689 -4.117 -28.339 1.00 1.24 H new ATOM 0 HD22 ASN A 34 31.760 -3.698 -29.680 1.00 1.24 H new ATOM 568 N ILE A 35 32.672 1.694 -30.747 1.00 4.32 N ATOM 569 CA ILE A 35 33.296 2.530 -31.766 1.00 30.44 C ATOM 570 C ILE A 35 34.516 1.842 -32.369 1.00 3.23 C ATOM 571 O ILE A 35 35.425 2.500 -32.876 1.00 21.31 O ATOM 572 CB ILE A 35 33.721 3.894 -31.192 1.00 53.40 C ATOM 573 CG1 ILE A 35 34.696 3.702 -30.029 1.00 43.11 C ATOM 574 CG2 ILE A 35 32.500 4.683 -30.742 1.00 31.34 C ATOM 575 CD1 ILE A 35 35.949 4.542 -30.146 1.00 14.53 C ATOM 0 H ILE A 35 32.875 1.976 -29.788 1.00 4.32 H new ATOM 0 HA ILE A 35 32.550 2.689 -32.544 1.00 30.44 H new ATOM 0 HB ILE A 35 34.227 4.459 -31.975 1.00 53.40 H new ATOM 0 HG12 ILE A 35 34.189 3.948 -29.096 1.00 43.11 H new ATOM 0 HG13 ILE A 35 34.977 2.651 -29.971 1.00 43.11 H new ATOM 0 HG21 ILE A 35 32.817 5.645 -30.339 1.00 31.34 H new ATOM 0 HG22 ILE A 35 31.839 4.846 -31.593 1.00 31.34 H new ATOM 0 HG23 ILE A 35 31.969 4.124 -29.972 1.00 31.34 H new ATOM 0 HD11 ILE A 35 36.594 4.355 -29.287 1.00 14.53 H new ATOM 0 HD12 ILE A 35 36.479 4.280 -31.062 1.00 14.53 H new ATOM 0 HD13 ILE A 35 35.678 5.597 -30.173 1.00 14.53 H new TER 587 ILE A 35