USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=2 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= -0.0128 (180deg=-0.198) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.712 X(o=-0.71,f=-0.53) 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= -0.534 X(o=-0.53,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.768 2.321 -8.060 1.00 33.14 N ATOM 2 CA LYS A 1 9.583 2.832 -7.380 1.00 41.03 C ATOM 3 C LYS A 1 9.109 1.858 -6.306 1.00 50.14 C ATOM 4 O LYS A 1 9.046 2.202 -5.126 1.00 21.32 O ATOM 5 CB LYS A 1 8.460 3.082 -8.389 1.00 13.21 C ATOM 6 CG LYS A 1 7.589 4.279 -8.046 1.00 25.23 C ATOM 7 CD LYS A 1 8.262 5.586 -8.430 1.00 41.00 C ATOM 8 CE LYS A 1 7.416 6.381 -9.413 1.00 34.44 C ATOM 9 NZ LYS A 1 7.698 5.998 -10.824 1.00 3.21 N ATOM 0 H1 LYS A 1 11.072 3.001 -8.786 1.00 33.14 H new ATOM 0 H2 LYS A 1 11.534 2.187 -7.369 1.00 33.14 H new ATOM 0 H3 LYS A 1 10.544 1.411 -8.510 1.00 33.14 H new ATOM 0 HA LYS A 1 9.848 3.774 -6.899 1.00 41.03 H new ATOM 0 HB2 LYS A 1 8.897 3.232 -9.376 1.00 13.21 H new ATOM 0 HB3 LYS A 1 7.833 2.193 -8.450 1.00 13.21 H new ATOM 0 HG2 LYS A 1 6.633 4.195 -8.563 1.00 25.23 H new ATOM 0 HG3 LYS A 1 7.374 4.280 -6.977 1.00 25.23 H new ATOM 0 HD2 LYS A 1 8.438 6.182 -7.535 1.00 41.00 H new ATOM 0 HD3 LYS A 1 9.237 5.379 -8.872 1.00 41.00 H new ATOM 0 HE2 LYS A 1 6.360 6.219 -9.197 1.00 34.44 H new ATOM 0 HE3 LYS A 1 7.609 7.446 -9.280 1.00 34.44 H new ATOM 0 HZ1 LYS A 1 7.102 6.562 -11.463 1.00 3.21 H new ATOM 0 HZ2 LYS A 1 8.700 6.176 -11.038 1.00 3.21 H new ATOM 0 HZ3 LYS A 1 7.490 4.988 -10.958 1.00 3.21 H new ATOM 23 N LYS A 2 8.777 0.641 -6.723 1.00 63.30 N ATOM 24 CA LYS A 2 8.312 -0.385 -5.797 1.00 55.12 C ATOM 25 C LYS A 2 8.599 -1.780 -6.342 1.00 21.44 C ATOM 26 O LYS A 2 8.118 -2.150 -7.413 1.00 31.14 O ATOM 27 CB LYS A 2 6.811 -0.225 -5.540 1.00 24.41 C ATOM 28 CG LYS A 2 6.335 -0.914 -4.272 1.00 42.44 C ATOM 29 CD LYS A 2 5.532 0.030 -3.393 1.00 42.42 C ATOM 30 CE LYS A 2 4.174 0.341 -4.004 1.00 3.30 C ATOM 31 NZ LYS A 2 3.277 -0.847 -3.995 1.00 32.02 N ATOM 0 H LYS A 2 8.821 0.341 -7.697 1.00 63.30 H new ATOM 0 HA LYS A 2 8.851 -0.263 -4.857 1.00 55.12 H new ATOM 0 HB2 LYS A 2 6.572 0.837 -5.478 1.00 24.41 H new ATOM 0 HB3 LYS A 2 6.260 -0.627 -6.391 1.00 24.41 H new ATOM 0 HG2 LYS A 2 5.724 -1.778 -4.534 1.00 42.44 H new ATOM 0 HG3 LYS A 2 7.194 -1.288 -3.716 1.00 42.44 H new ATOM 0 HD2 LYS A 2 5.395 -0.416 -2.408 1.00 42.42 H new ATOM 0 HD3 LYS A 2 6.088 0.956 -3.249 1.00 42.42 H new ATOM 0 HE2 LYS A 2 3.705 1.155 -3.451 1.00 3.30 H new ATOM 0 HE3 LYS A 2 4.308 0.688 -5.029 1.00 3.30 H new ATOM 0 HZ1 LYS A 2 2.301 -0.547 -4.193 1.00 32.02 H new ATOM 0 HZ2 LYS A 2 3.587 -1.521 -4.724 1.00 32.02 H new ATOM 0 HZ3 LYS A 2 3.316 -1.304 -3.062 1.00 32.02 H new ATOM 45 N TRP A 3 9.384 -2.550 -5.597 1.00 63.41 N ATOM 46 CA TRP A 3 9.734 -3.906 -6.005 1.00 62.23 C ATOM 47 C TRP A 3 8.586 -4.871 -5.730 1.00 23.04 C ATOM 48 O TRP A 3 8.392 -5.843 -6.458 1.00 33.43 O ATOM 49 CB TRP A 3 10.995 -4.372 -5.275 1.00 13.45 C ATOM 50 CG TRP A 3 12.231 -4.302 -6.119 1.00 51.11 C ATOM 51 CD1 TRP A 3 13.009 -5.350 -6.521 1.00 52.23 C ATOM 52 CD2 TRP A 3 12.832 -3.122 -6.663 1.00 13.41 C ATOM 53 NE1 TRP A 3 14.057 -4.892 -7.282 1.00 42.05 N ATOM 54 CE2 TRP A 3 13.971 -3.529 -7.385 1.00 13.21 C ATOM 55 CE3 TRP A 3 12.517 -1.761 -6.612 1.00 45.11 C ATOM 56 CZ2 TRP A 3 14.794 -2.623 -8.048 1.00 63.01 C ATOM 57 CZ3 TRP A 3 13.336 -0.863 -7.271 1.00 21.34 C ATOM 58 CH2 TRP A 3 14.463 -1.297 -7.981 1.00 40.05 C ATOM 0 H TRP A 3 9.790 -2.259 -4.708 1.00 63.41 H new ATOM 0 HA TRP A 3 9.927 -3.897 -7.078 1.00 62.23 H new ATOM 0 HB2 TRP A 3 11.137 -3.760 -4.384 1.00 13.45 H new ATOM 0 HB3 TRP A 3 10.852 -5.398 -4.937 1.00 13.45 H new ATOM 0 HD1 TRP A 3 12.827 -6.386 -6.277 1.00 52.23 H new ATOM 0 HE1 TRP A 3 14.782 -5.473 -7.702 1.00 42.05 H new ATOM 0 HE3 TRP A 3 11.650 -1.417 -6.068 1.00 45.11 H new ATOM 0 HZ2 TRP A 3 15.663 -2.955 -8.596 1.00 63.01 H new ATOM 0 HZ3 TRP A 3 13.103 0.191 -7.238 1.00 21.34 H new ATOM 0 HH2 TRP A 3 15.083 -0.571 -8.485 1.00 40.05 H new ATOM 69 N GLY A 4 7.828 -4.595 -4.673 1.00 34.41 N ATOM 70 CA GLY A 4 6.708 -5.449 -4.320 1.00 41.15 C ATOM 71 C GLY A 4 5.661 -5.512 -5.414 1.00 74.32 C ATOM 72 O GLY A 4 5.002 -6.537 -5.593 1.00 51.32 O ATOM 0 H GLY A 4 7.969 -3.796 -4.055 1.00 34.41 H new ATOM 0 HA2 GLY A 4 7.073 -6.455 -4.112 1.00 41.15 H new ATOM 0 HA3 GLY A 4 6.249 -5.081 -3.403 1.00 41.15 H new ATOM 76 N TRP A 5 5.505 -4.415 -6.146 1.00 32.01 N ATOM 77 CA TRP A 5 4.528 -4.350 -7.227 1.00 11.20 C ATOM 78 C TRP A 5 4.800 -5.426 -8.273 1.00 4.54 C ATOM 79 O TRP A 5 3.927 -6.234 -8.588 1.00 34.31 O ATOM 80 CB TRP A 5 4.552 -2.967 -7.881 1.00 62.42 C ATOM 81 CG TRP A 5 3.708 -2.880 -9.117 1.00 21.04 C ATOM 82 CD1 TRP A 5 2.568 -3.584 -9.382 1.00 24.00 C ATOM 83 CD2 TRP A 5 3.939 -2.042 -10.254 1.00 74.14 C ATOM 84 NE1 TRP A 5 2.076 -3.234 -10.616 1.00 64.34 N ATOM 85 CE2 TRP A 5 2.898 -2.290 -11.172 1.00 4.55 C ATOM 86 CE3 TRP A 5 4.921 -1.106 -10.587 1.00 50.40 C ATOM 87 CZ2 TRP A 5 2.816 -1.635 -12.397 1.00 51.35 C ATOM 88 CZ3 TRP A 5 4.838 -0.457 -11.804 1.00 51.23 C ATOM 89 CH2 TRP A 5 3.791 -0.723 -12.697 1.00 43.02 C ATOM 0 H TRP A 5 6.042 -3.559 -6.011 1.00 32.01 H new ATOM 0 HA TRP A 5 3.540 -4.526 -6.801 1.00 11.20 H new ATOM 0 HB2 TRP A 5 4.206 -2.226 -7.160 1.00 62.42 H new ATOM 0 HB3 TRP A 5 5.581 -2.710 -8.133 1.00 62.42 H new ATOM 0 HD1 TRP A 5 2.119 -4.309 -8.719 1.00 24.00 H new ATOM 0 HE1 TRP A 5 1.235 -3.615 -11.048 1.00 64.34 H new ATOM 0 HE3 TRP A 5 5.731 -0.893 -9.905 1.00 50.40 H new ATOM 0 HZ2 TRP A 5 2.011 -1.839 -13.087 1.00 51.35 H new ATOM 0 HZ3 TRP A 5 5.593 0.268 -12.072 1.00 51.23 H new ATOM 0 HH2 TRP A 5 3.753 -0.198 -13.640 1.00 43.02 H new ATOM 100 N LEU A 6 6.017 -5.430 -8.807 1.00 75.21 N ATOM 101 CA LEU A 6 6.404 -6.408 -9.818 1.00 22.01 C ATOM 102 C LEU A 6 6.801 -7.732 -9.172 1.00 14.54 C ATOM 103 O LEU A 6 6.979 -8.739 -9.856 1.00 4.33 O ATOM 104 CB LEU A 6 7.564 -5.870 -10.658 1.00 31.00 C ATOM 105 CG LEU A 6 7.334 -4.516 -11.330 1.00 3.22 C ATOM 106 CD1 LEU A 6 8.509 -4.159 -12.227 1.00 3.11 C ATOM 107 CD2 LEU A 6 6.038 -4.528 -12.126 1.00 75.51 C ATOM 0 H LEU A 6 6.752 -4.768 -8.557 1.00 75.21 H new ATOM 0 HA LEU A 6 5.545 -6.584 -10.465 1.00 22.01 H new ATOM 0 HB2 LEU A 6 8.443 -5.791 -10.019 1.00 31.00 H new ATOM 0 HB3 LEU A 6 7.797 -6.602 -11.431 1.00 31.00 H new ATOM 0 HG LEU A 6 7.252 -3.756 -10.553 1.00 3.22 H new ATOM 0 HD11 LEU A 6 8.328 -3.192 -12.697 1.00 3.11 H new ATOM 0 HD12 LEU A 6 9.420 -4.107 -11.630 1.00 3.11 H new ATOM 0 HD13 LEU A 6 8.623 -4.921 -12.998 1.00 3.11 H new ATOM 0 HD21 LEU A 6 5.891 -3.556 -12.597 1.00 75.51 H new ATOM 0 HD22 LEU A 6 6.090 -5.299 -12.894 1.00 75.51 H new ATOM 0 HD23 LEU A 6 5.203 -4.737 -11.458 1.00 75.51 H new ATOM 119 N ALA A 7 6.934 -7.722 -7.849 1.00 43.23 N ATOM 120 CA ALA A 7 7.305 -8.922 -7.110 1.00 60.12 C ATOM 121 C ALA A 7 6.402 -10.094 -7.478 1.00 72.31 C ATOM 122 O ALA A 7 6.878 -11.200 -7.734 1.00 70.22 O ATOM 123 CB ALA A 7 7.247 -8.659 -5.613 1.00 5.43 C ATOM 0 H ALA A 7 6.790 -6.896 -7.268 1.00 43.23 H new ATOM 0 HA ALA A 7 8.327 -9.185 -7.382 1.00 60.12 H new ATOM 0 HB1 ALA A 7 7.526 -9.564 -5.074 1.00 5.43 H new ATOM 0 HB2 ALA A 7 7.938 -7.856 -5.358 1.00 5.43 H new ATOM 0 HB3 ALA A 7 6.234 -8.368 -5.334 1.00 5.43 H new ATOM 129 N TRP A 8 5.098 -9.845 -7.502 1.00 34.24 N ATOM 130 CA TRP A 8 4.128 -10.881 -7.838 1.00 33.44 C ATOM 131 C TRP A 8 3.910 -10.955 -9.345 1.00 24.41 C ATOM 132 O TRP A 8 3.477 -11.981 -9.870 1.00 23.21 O ATOM 133 CB TRP A 8 2.798 -10.613 -7.131 1.00 1.22 C ATOM 134 CG TRP A 8 2.190 -9.291 -7.491 1.00 62.11 C ATOM 135 CD1 TRP A 8 1.639 -8.942 -8.691 1.00 63.31 C ATOM 136 CD2 TRP A 8 2.074 -8.142 -6.645 1.00 31.12 C ATOM 137 NE1 TRP A 8 1.187 -7.646 -8.642 1.00 4.43 N ATOM 138 CE2 TRP A 8 1.441 -7.133 -7.397 1.00 43.01 C ATOM 139 CE3 TRP A 8 2.440 -7.868 -5.324 1.00 63.15 C ATOM 140 CZ2 TRP A 8 1.170 -5.873 -6.871 1.00 41.45 C ATOM 141 CZ3 TRP A 8 2.171 -6.617 -4.804 1.00 53.44 C ATOM 142 CH2 TRP A 8 1.540 -5.632 -5.576 1.00 51.22 C ATOM 0 H TRP A 8 4.688 -8.935 -7.293 1.00 34.24 H new ATOM 0 HA TRP A 8 4.525 -11.838 -7.500 1.00 33.44 H new ATOM 0 HB2 TRP A 8 2.095 -11.408 -7.381 1.00 1.22 H new ATOM 0 HB3 TRP A 8 2.953 -10.652 -6.053 1.00 1.22 H new ATOM 0 HD1 TRP A 8 1.569 -9.590 -9.552 1.00 63.31 H new ATOM 0 HE1 TRP A 8 0.735 -7.146 -9.408 1.00 4.43 H new ATOM 0 HE3 TRP A 8 2.925 -8.621 -4.721 1.00 63.15 H new ATOM 0 HZ2 TRP A 8 0.685 -5.112 -7.464 1.00 41.45 H new ATOM 0 HZ3 TRP A 8 2.452 -6.394 -3.785 1.00 53.44 H new ATOM 0 HH2 TRP A 8 1.342 -4.664 -5.140 1.00 51.22 H new ATOM 153 N VAL A 9 4.214 -9.862 -10.037 1.00 11.32 N ATOM 154 CA VAL A 9 4.053 -9.804 -11.485 1.00 12.33 C ATOM 155 C VAL A 9 5.047 -10.722 -12.186 1.00 22.55 C ATOM 156 O VAL A 9 4.729 -11.336 -13.204 1.00 64.42 O ATOM 157 CB VAL A 9 4.236 -8.369 -12.013 1.00 3.52 C ATOM 158 CG1 VAL A 9 4.068 -8.330 -13.524 1.00 40.11 C ATOM 159 CG2 VAL A 9 3.257 -7.422 -11.335 1.00 31.43 C ATOM 0 H VAL A 9 4.573 -9.004 -9.618 1.00 11.32 H new ATOM 0 HA VAL A 9 3.039 -10.137 -11.704 1.00 12.33 H new ATOM 0 HB VAL A 9 5.248 -8.040 -11.775 1.00 3.52 H new ATOM 0 HG11 VAL A 9 4.201 -7.308 -13.879 1.00 40.11 H new ATOM 0 HG12 VAL A 9 4.813 -8.975 -13.990 1.00 40.11 H new ATOM 0 HG13 VAL A 9 3.070 -8.679 -13.788 1.00 40.11 H new ATOM 0 HG21 VAL A 9 3.401 -6.413 -11.721 1.00 31.43 H new ATOM 0 HG22 VAL A 9 2.237 -7.746 -11.539 1.00 31.43 H new ATOM 0 HG23 VAL A 9 3.431 -7.428 -10.259 1.00 31.43 H new ATOM 169 N ASP A 10 6.252 -10.812 -11.633 1.00 32.41 N ATOM 170 CA ASP A 10 7.294 -11.658 -12.204 1.00 32.12 C ATOM 171 C ASP A 10 7.721 -11.143 -13.575 1.00 32.31 C ATOM 172 O ASP A 10 7.479 -11.773 -14.605 1.00 33.23 O ATOM 173 CB ASP A 10 6.803 -13.102 -12.318 1.00 30.24 C ATOM 174 CG ASP A 10 5.920 -13.507 -11.153 1.00 63.14 C ATOM 175 OD1 ASP A 10 6.421 -13.532 -10.009 1.00 40.04 O ATOM 176 OD2 ASP A 10 4.729 -13.798 -11.386 1.00 73.32 O ATOM 0 H ASP A 10 6.531 -10.310 -10.790 1.00 32.41 H new ATOM 0 HA ASP A 10 8.157 -11.628 -11.539 1.00 32.12 H new ATOM 0 HB2 ASP A 10 6.249 -13.222 -13.249 1.00 30.24 H new ATOM 0 HB3 ASP A 10 7.661 -13.772 -12.369 1.00 30.24 H new ATOM 181 N PRO A 11 8.371 -9.970 -13.591 1.00 33.12 N ATOM 182 CA PRO A 11 8.845 -9.344 -14.829 1.00 34.32 C ATOM 183 C PRO A 11 10.006 -10.108 -15.457 1.00 12.44 C ATOM 184 O PRO A 11 10.140 -10.157 -16.679 1.00 1.32 O ATOM 185 CB PRO A 11 9.301 -7.956 -14.372 1.00 64.45 C ATOM 186 CG PRO A 11 9.641 -8.124 -12.932 1.00 21.23 C ATOM 187 CD PRO A 11 8.693 -9.164 -12.401 1.00 65.32 C ATOM 0 HA PRO A 11 8.072 -9.322 -15.597 1.00 34.32 H new ATOM 0 HB2 PRO A 11 10.163 -7.614 -14.945 1.00 64.45 H new ATOM 0 HB3 PRO A 11 8.513 -7.215 -14.509 1.00 64.45 H new ATOM 0 HG2 PRO A 11 10.677 -8.441 -12.810 1.00 21.23 H new ATOM 0 HG3 PRO A 11 9.530 -7.183 -12.393 1.00 21.23 H new ATOM 0 HD2 PRO A 11 9.155 -9.768 -11.620 1.00 65.32 H new ATOM 0 HD3 PRO A 11 7.801 -8.711 -11.969 1.00 65.32 H new ATOM 195 N ALA A 12 10.842 -10.702 -14.612 1.00 63.33 N ATOM 196 CA ALA A 12 11.991 -11.465 -15.085 1.00 73.41 C ATOM 197 C ALA A 12 11.551 -12.625 -15.973 1.00 5.20 C ATOM 198 O ALA A 12 12.103 -12.835 -17.054 1.00 31.35 O ATOM 199 CB ALA A 12 12.804 -11.979 -13.907 1.00 22.44 C ATOM 0 H ALA A 12 10.745 -10.670 -13.597 1.00 63.33 H new ATOM 0 HA ALA A 12 12.617 -10.801 -15.682 1.00 73.41 H new ATOM 0 HB1 ALA A 12 13.659 -12.547 -14.275 1.00 22.44 H new ATOM 0 HB2 ALA A 12 13.157 -11.136 -13.313 1.00 22.44 H new ATOM 0 HB3 ALA A 12 12.180 -12.623 -13.288 1.00 22.44 H new ATOM 205 N TYR A 13 10.557 -13.374 -15.510 1.00 61.14 N ATOM 206 CA TYR A 13 10.046 -14.515 -16.262 1.00 1.43 C ATOM 207 C TYR A 13 9.703 -14.114 -17.693 1.00 70.33 C ATOM 208 O TYR A 13 10.322 -14.587 -18.646 1.00 41.51 O ATOM 209 CB TYR A 13 8.810 -15.094 -15.572 1.00 12.21 C ATOM 210 CG TYR A 13 8.622 -16.575 -15.810 1.00 30.13 C ATOM 211 CD1 TYR A 13 8.556 -17.089 -17.099 1.00 40.42 C ATOM 212 CD2 TYR A 13 8.509 -17.461 -14.745 1.00 45.04 C ATOM 213 CE1 TYR A 13 8.384 -18.441 -17.321 1.00 72.24 C ATOM 214 CE2 TYR A 13 8.339 -18.815 -14.958 1.00 74.12 C ATOM 215 CZ TYR A 13 8.276 -19.300 -16.248 1.00 21.42 C ATOM 216 OH TYR A 13 8.105 -20.649 -16.464 1.00 15.51 O ATOM 0 H TYR A 13 10.089 -13.212 -14.618 1.00 61.14 H new ATOM 0 HA TYR A 13 10.826 -15.276 -16.294 1.00 1.43 H new ATOM 0 HB2 TYR A 13 8.885 -14.913 -14.500 1.00 12.21 H new ATOM 0 HB3 TYR A 13 7.926 -14.563 -15.924 1.00 12.21 H new ATOM 0 HD1 TYR A 13 8.641 -16.419 -17.942 1.00 40.42 H new ATOM 0 HD2 TYR A 13 8.555 -17.084 -13.734 1.00 45.04 H new ATOM 0 HE1 TYR A 13 8.334 -18.824 -18.330 1.00 72.24 H new ATOM 0 HE2 TYR A 13 8.256 -19.490 -14.119 1.00 74.12 H new ATOM 0 HH TYR A 13 8.048 -21.114 -15.603 1.00 15.51 H new ATOM 226 N GLU A 14 8.712 -13.240 -17.835 1.00 11.30 N ATOM 227 CA GLU A 14 8.286 -12.776 -19.150 1.00 13.40 C ATOM 228 C GLU A 14 9.449 -12.139 -19.906 1.00 31.53 C ATOM 229 O GLU A 14 9.531 -12.229 -21.131 1.00 31.01 O ATOM 230 CB GLU A 14 7.141 -11.770 -19.014 1.00 13.21 C ATOM 231 CG GLU A 14 6.620 -11.257 -20.346 1.00 13.21 C ATOM 232 CD GLU A 14 5.641 -12.214 -20.997 1.00 75.21 C ATOM 233 OE1 GLU A 14 4.459 -12.221 -20.593 1.00 70.14 O ATOM 234 OE2 GLU A 14 6.057 -12.957 -21.911 1.00 54.32 O ATOM 0 H GLU A 14 8.189 -12.839 -17.056 1.00 11.30 H new ATOM 0 HA GLU A 14 7.937 -13.640 -19.716 1.00 13.40 H new ATOM 0 HB2 GLU A 14 6.321 -12.237 -18.468 1.00 13.21 H new ATOM 0 HB3 GLU A 14 7.481 -10.924 -18.416 1.00 13.21 H new ATOM 0 HG2 GLU A 14 6.134 -10.293 -20.195 1.00 13.21 H new ATOM 0 HG3 GLU A 14 7.460 -11.088 -21.020 1.00 13.21 H new ATOM 241 N PHE A 15 10.346 -11.496 -19.166 1.00 63.40 N ATOM 242 CA PHE A 15 11.504 -10.843 -19.765 1.00 64.52 C ATOM 243 C PHE A 15 12.424 -11.866 -20.426 1.00 72.33 C ATOM 244 O PHE A 15 13.011 -11.602 -21.476 1.00 10.42 O ATOM 245 CB PHE A 15 12.277 -10.056 -18.705 1.00 45.14 C ATOM 246 CG PHE A 15 13.450 -9.297 -19.259 1.00 31.52 C ATOM 247 CD1 PHE A 15 13.286 -8.022 -19.774 1.00 10.20 C ATOM 248 CD2 PHE A 15 14.716 -9.861 -19.264 1.00 51.42 C ATOM 249 CE1 PHE A 15 14.363 -7.321 -20.284 1.00 12.04 C ATOM 250 CE2 PHE A 15 15.796 -9.164 -19.772 1.00 64.51 C ATOM 251 CZ PHE A 15 15.620 -7.894 -20.284 1.00 15.34 C ATOM 0 H PHE A 15 10.293 -11.413 -18.151 1.00 63.40 H new ATOM 0 HA PHE A 15 11.146 -10.154 -20.530 1.00 64.52 H new ATOM 0 HB2 PHE A 15 11.599 -9.356 -18.217 1.00 45.14 H new ATOM 0 HB3 PHE A 15 12.630 -10.745 -17.938 1.00 45.14 H new ATOM 0 HD1 PHE A 15 12.305 -7.570 -19.777 1.00 10.20 H new ATOM 0 HD2 PHE A 15 14.860 -10.855 -18.867 1.00 51.42 H new ATOM 0 HE1 PHE A 15 14.222 -6.327 -20.682 1.00 12.04 H new ATOM 0 HE2 PHE A 15 16.778 -9.613 -19.768 1.00 64.51 H new ATOM 0 HZ PHE A 15 16.463 -7.350 -20.684 1.00 15.34 H new ATOM 261 N ILE A 16 12.544 -13.034 -19.804 1.00 73.22 N ATOM 262 CA ILE A 16 13.391 -14.097 -20.332 1.00 14.32 C ATOM 263 C ILE A 16 12.798 -14.692 -21.604 1.00 54.34 C ATOM 264 O ILE A 16 13.518 -15.000 -22.554 1.00 25.24 O ATOM 265 CB ILE A 16 13.593 -15.221 -19.299 1.00 14.03 C ATOM 266 CG1 ILE A 16 14.224 -14.663 -18.022 1.00 3.41 C ATOM 267 CG2 ILE A 16 14.457 -16.328 -19.883 1.00 73.32 C ATOM 268 CD1 ILE A 16 13.658 -15.264 -16.755 1.00 0.13 C ATOM 0 H ILE A 16 12.066 -13.268 -18.934 1.00 73.22 H new ATOM 0 HA ILE A 16 14.357 -13.646 -20.561 1.00 14.32 H new ATOM 0 HB ILE A 16 12.619 -15.641 -19.047 1.00 14.03 H new ATOM 0 HG12 ILE A 16 15.299 -14.841 -18.050 1.00 3.41 H new ATOM 0 HG13 ILE A 16 14.080 -13.583 -17.998 1.00 3.41 H new ATOM 0 HG21 ILE A 16 14.591 -17.115 -19.141 1.00 73.32 H new ATOM 0 HG22 ILE A 16 13.971 -16.741 -20.767 1.00 73.32 H new ATOM 0 HG23 ILE A 16 15.430 -15.922 -20.161 1.00 73.32 H new ATOM 0 HD11 ILE A 16 14.152 -14.821 -15.890 1.00 0.13 H new ATOM 0 HD12 ILE A 16 12.588 -15.063 -16.704 1.00 0.13 H new ATOM 0 HD13 ILE A 16 13.825 -16.341 -16.757 1.00 0.13 H new ATOM 280 N LYS A 17 11.478 -14.849 -21.618 1.00 43.25 N ATOM 281 CA LYS A 17 10.786 -15.404 -22.775 1.00 54.34 C ATOM 282 C LYS A 17 10.683 -14.372 -23.894 1.00 61.34 C ATOM 283 O LYS A 17 10.640 -14.723 -25.073 1.00 2.11 O ATOM 284 CB LYS A 17 9.387 -15.881 -22.378 1.00 21.03 C ATOM 285 CG LYS A 17 9.336 -16.545 -21.012 1.00 43.15 C ATOM 286 CD LYS A 17 8.186 -17.533 -20.915 1.00 40.12 C ATOM 287 CE LYS A 17 8.627 -18.940 -21.288 1.00 20.14 C ATOM 288 NZ LYS A 17 7.503 -19.746 -21.839 1.00 73.00 N ATOM 0 H LYS A 17 10.866 -14.599 -20.841 1.00 43.25 H new ATOM 0 HA LYS A 17 11.364 -16.254 -23.139 1.00 54.34 H new ATOM 0 HB2 LYS A 17 8.706 -15.030 -22.385 1.00 21.03 H new ATOM 0 HB3 LYS A 17 9.025 -16.584 -23.128 1.00 21.03 H new ATOM 0 HG2 LYS A 17 10.277 -17.061 -20.822 1.00 43.15 H new ATOM 0 HG3 LYS A 17 9.228 -15.783 -20.240 1.00 43.15 H new ATOM 0 HD2 LYS A 17 7.789 -17.532 -19.900 1.00 40.12 H new ATOM 0 HD3 LYS A 17 7.377 -17.217 -21.574 1.00 40.12 H new ATOM 0 HE2 LYS A 17 9.430 -18.886 -22.023 1.00 20.14 H new ATOM 0 HE3 LYS A 17 9.034 -19.438 -20.408 1.00 20.14 H new ATOM 0 HZ1 LYS A 17 7.844 -20.698 -22.081 1.00 73.00 H new ATOM 0 HZ2 LYS A 17 6.747 -19.819 -21.128 1.00 73.00 H new ATOM 0 HZ3 LYS A 17 7.131 -19.284 -22.693 1.00 73.00 H new ATOM 302 N GLY A 18 10.646 -13.098 -23.517 1.00 53.32 N ATOM 303 CA GLY A 18 10.550 -12.035 -24.501 1.00 60.41 C ATOM 304 C GLY A 18 11.891 -11.391 -24.791 1.00 21.10 C ATOM 305 O GLY A 18 12.163 -10.277 -24.342 1.00 71.22 O ATOM 0 H GLY A 18 10.681 -12.783 -22.548 1.00 53.32 H new ATOM 0 HA2 GLY A 18 10.136 -12.436 -25.426 1.00 60.41 H new ATOM 0 HA3 GLY A 18 9.855 -11.275 -24.144 1.00 60.41 H new ATOM 309 N PHE A 19 12.733 -12.093 -25.542 1.00 61.20 N ATOM 310 CA PHE A 19 14.055 -11.584 -25.889 1.00 52.00 C ATOM 311 C PHE A 19 13.956 -10.498 -26.956 1.00 2.51 C ATOM 312 O PHE A 19 14.872 -9.694 -27.126 1.00 23.21 O ATOM 313 CB PHE A 19 14.949 -12.722 -26.385 1.00 60.11 C ATOM 314 CG PHE A 19 14.538 -13.268 -27.723 1.00 0.22 C ATOM 315 CD1 PHE A 19 13.586 -14.271 -27.814 1.00 1.51 C ATOM 316 CD2 PHE A 19 15.103 -12.778 -28.889 1.00 42.20 C ATOM 317 CE1 PHE A 19 13.207 -14.775 -29.043 1.00 52.15 C ATOM 318 CE2 PHE A 19 14.728 -13.278 -30.122 1.00 35.04 C ATOM 319 CZ PHE A 19 13.777 -14.277 -30.199 1.00 23.22 C ATOM 0 H PHE A 19 12.523 -13.016 -25.922 1.00 61.20 H new ATOM 0 HA PHE A 19 14.497 -11.149 -24.992 1.00 52.00 H new ATOM 0 HB2 PHE A 19 15.977 -12.365 -26.448 1.00 60.11 H new ATOM 0 HB3 PHE A 19 14.936 -13.529 -25.653 1.00 60.11 H new ATOM 0 HD1 PHE A 19 13.135 -14.663 -26.914 1.00 1.51 H new ATOM 0 HD2 PHE A 19 15.846 -11.996 -28.834 1.00 42.20 H new ATOM 0 HE1 PHE A 19 12.465 -15.558 -29.100 1.00 52.15 H new ATOM 0 HE2 PHE A 19 15.178 -12.888 -31.023 1.00 35.04 H new ATOM 0 HZ PHE A 19 13.480 -14.668 -31.161 1.00 23.22 H new ATOM 329 N GLY A 20 12.837 -10.480 -27.673 1.00 73.52 N ATOM 330 CA GLY A 20 12.638 -9.490 -28.715 1.00 43.11 C ATOM 331 C GLY A 20 11.731 -8.359 -28.274 1.00 54.24 C ATOM 332 O GLY A 20 10.596 -8.246 -28.739 1.00 41.32 O ATOM 0 H GLY A 20 12.064 -11.134 -27.551 1.00 73.52 H new ATOM 0 HA2 GLY A 20 13.604 -9.082 -29.013 1.00 43.11 H new ATOM 0 HA3 GLY A 20 12.211 -9.973 -29.594 1.00 43.11 H new ATOM 336 N LYS A 21 12.229 -7.519 -27.373 1.00 60.05 N ATOM 337 CA LYS A 21 11.456 -6.391 -26.868 1.00 50.45 C ATOM 338 C LYS A 21 12.262 -5.592 -25.849 1.00 50.54 C ATOM 339 O LYS A 21 12.117 -4.374 -25.746 1.00 63.21 O ATOM 340 CB LYS A 21 10.154 -6.882 -26.232 1.00 73.03 C ATOM 341 CG LYS A 21 10.344 -8.055 -25.286 1.00 73.13 C ATOM 342 CD LYS A 21 10.711 -7.589 -23.887 1.00 73.53 C ATOM 343 CE LYS A 21 9.896 -8.314 -22.827 1.00 22.50 C ATOM 344 NZ LYS A 21 9.770 -7.512 -21.579 1.00 43.41 N ATOM 0 H LYS A 21 13.166 -7.598 -26.977 1.00 60.05 H new ATOM 0 HA LYS A 21 11.219 -5.740 -27.709 1.00 50.45 H new ATOM 0 HB2 LYS A 21 9.692 -6.058 -25.688 1.00 73.03 H new ATOM 0 HB3 LYS A 21 9.460 -7.171 -27.021 1.00 73.03 H new ATOM 0 HG2 LYS A 21 9.427 -8.643 -25.246 1.00 73.13 H new ATOM 0 HG3 LYS A 21 11.127 -8.710 -25.669 1.00 73.13 H new ATOM 0 HD2 LYS A 21 11.773 -7.761 -23.712 1.00 73.53 H new ATOM 0 HD3 LYS A 21 10.544 -6.515 -23.804 1.00 73.53 H new ATOM 0 HE2 LYS A 21 8.903 -8.533 -23.219 1.00 22.50 H new ATOM 0 HE3 LYS A 21 10.367 -9.270 -22.598 1.00 22.50 H new ATOM 0 HZ1 LYS A 21 9.208 -8.041 -20.882 1.00 43.41 H new ATOM 0 HZ2 LYS A 21 10.716 -7.324 -21.190 1.00 43.41 H new ATOM 0 HZ3 LYS A 21 9.298 -6.610 -21.792 1.00 43.41 H new ATOM 358 N GLY A 22 13.113 -6.285 -25.099 1.00 72.10 N ATOM 359 CA GLY A 22 13.930 -5.623 -24.099 1.00 40.11 C ATOM 360 C GLY A 22 15.295 -6.264 -23.949 1.00 23.21 C ATOM 361 O GLY A 22 16.298 -5.572 -23.777 1.00 0.20 O ATOM 0 H GLY A 22 13.251 -7.293 -25.166 1.00 72.10 H new ATOM 0 HA2 GLY A 22 14.052 -4.574 -24.370 1.00 40.11 H new ATOM 0 HA3 GLY A 22 13.414 -5.646 -23.139 1.00 40.11 H new ATOM 365 N ALA A 23 15.334 -7.591 -24.012 1.00 63.11 N ATOM 366 CA ALA A 23 16.587 -8.326 -23.882 1.00 54.41 C ATOM 367 C ALA A 23 17.505 -8.058 -25.069 1.00 65.44 C ATOM 368 O ALA A 23 18.705 -7.837 -24.900 1.00 52.42 O ATOM 369 CB ALA A 23 16.313 -9.816 -23.749 1.00 73.33 C ATOM 0 H ALA A 23 14.513 -8.179 -24.152 1.00 63.11 H new ATOM 0 HA ALA A 23 17.092 -7.979 -22.980 1.00 54.41 H new ATOM 0 HB1 ALA A 23 17.257 -10.352 -23.653 1.00 73.33 H new ATOM 0 HB2 ALA A 23 15.702 -9.996 -22.865 1.00 73.33 H new ATOM 0 HB3 ALA A 23 15.784 -10.169 -24.634 1.00 73.33 H new ATOM 375 N ILE A 24 16.936 -8.082 -26.270 1.00 12.35 N ATOM 376 CA ILE A 24 17.705 -7.841 -27.484 1.00 74.53 C ATOM 377 C ILE A 24 17.923 -6.349 -27.711 1.00 32.33 C ATOM 378 O ILE A 24 18.928 -5.938 -28.290 1.00 64.21 O ATOM 379 CB ILE A 24 17.007 -8.440 -28.720 1.00 33.01 C ATOM 380 CG1 ILE A 24 17.968 -8.473 -29.910 1.00 21.23 C ATOM 381 CG2 ILE A 24 15.759 -7.640 -29.063 1.00 34.35 C ATOM 382 CD1 ILE A 24 17.592 -9.493 -30.962 1.00 3.20 C ATOM 0 H ILE A 24 15.945 -8.266 -26.428 1.00 12.35 H new ATOM 0 HA ILE A 24 18.670 -8.330 -27.348 1.00 74.53 H new ATOM 0 HB ILE A 24 16.708 -9.463 -28.490 1.00 33.01 H new ATOM 0 HG12 ILE A 24 18.000 -7.485 -30.369 1.00 21.23 H new ATOM 0 HG13 ILE A 24 18.973 -8.689 -29.549 1.00 21.23 H new ATOM 0 HG21 ILE A 24 15.277 -8.075 -29.938 1.00 34.35 H new ATOM 0 HG22 ILE A 24 15.069 -7.663 -28.220 1.00 34.35 H new ATOM 0 HG23 ILE A 24 16.036 -6.608 -29.277 1.00 34.35 H new ATOM 0 HD11 ILE A 24 18.317 -9.461 -31.776 1.00 3.20 H new ATOM 0 HD12 ILE A 24 17.588 -10.489 -30.519 1.00 3.20 H new ATOM 0 HD13 ILE A 24 16.600 -9.266 -31.351 1.00 3.20 H new ATOM 394 N LYS A 25 16.975 -5.542 -27.248 1.00 53.52 N ATOM 395 CA LYS A 25 17.063 -4.094 -27.396 1.00 40.34 C ATOM 396 C LYS A 25 18.151 -3.520 -26.495 1.00 3.23 C ATOM 397 O LYS A 25 19.027 -2.787 -26.954 1.00 30.35 O ATOM 398 CB LYS A 25 15.717 -3.444 -27.067 1.00 4.42 C ATOM 399 CG LYS A 25 15.813 -1.953 -26.793 1.00 1.33 C ATOM 400 CD LYS A 25 14.658 -1.194 -27.425 1.00 63.20 C ATOM 401 CE LYS A 25 13.319 -1.649 -26.864 1.00 44.25 C ATOM 402 NZ LYS A 25 12.560 -0.521 -26.258 1.00 2.43 N ATOM 0 H LYS A 25 16.136 -5.866 -26.767 1.00 53.52 H new ATOM 0 HA LYS A 25 17.321 -3.875 -28.432 1.00 40.34 H new ATOM 0 HB2 LYS A 25 15.031 -3.609 -27.898 1.00 4.42 H new ATOM 0 HB3 LYS A 25 15.288 -3.938 -26.196 1.00 4.42 H new ATOM 0 HG2 LYS A 25 15.818 -1.780 -25.717 1.00 1.33 H new ATOM 0 HG3 LYS A 25 16.757 -1.571 -27.182 1.00 1.33 H new ATOM 0 HD2 LYS A 25 14.783 -0.126 -27.249 1.00 63.20 H new ATOM 0 HD3 LYS A 25 14.671 -1.343 -28.505 1.00 63.20 H new ATOM 0 HE2 LYS A 25 12.726 -2.100 -27.660 1.00 44.25 H new ATOM 0 HE3 LYS A 25 13.484 -2.421 -26.113 1.00 44.25 H new ATOM 0 HZ1 LYS A 25 11.654 -0.872 -25.887 1.00 2.43 H new ATOM 0 HZ2 LYS A 25 13.115 -0.107 -25.482 1.00 2.43 H new ATOM 0 HZ3 LYS A 25 12.381 0.205 -26.981 1.00 2.43 H new ATOM 416 N GLU A 26 18.090 -3.859 -25.211 1.00 33.22 N ATOM 417 CA GLU A 26 19.071 -3.377 -24.246 1.00 62.21 C ATOM 418 C GLU A 26 20.420 -4.059 -24.455 1.00 61.52 C ATOM 419 O GLU A 26 21.421 -3.680 -23.848 1.00 74.03 O ATOM 420 CB GLU A 26 18.579 -3.623 -22.818 1.00 50.03 C ATOM 421 CG GLU A 26 18.764 -5.056 -22.349 1.00 20.21 C ATOM 422 CD GLU A 26 20.072 -5.264 -21.611 1.00 22.03 C ATOM 423 OE1 GLU A 26 20.411 -4.421 -20.754 1.00 61.20 O ATOM 424 OE2 GLU A 26 20.757 -6.270 -21.890 1.00 71.52 O ATOM 0 H GLU A 26 17.372 -4.465 -24.815 1.00 33.22 H new ATOM 0 HA GLU A 26 19.197 -2.305 -24.399 1.00 62.21 H new ATOM 0 HB2 GLU A 26 19.111 -2.956 -22.140 1.00 50.03 H new ATOM 0 HB3 GLU A 26 17.522 -3.363 -22.757 1.00 50.03 H new ATOM 0 HG2 GLU A 26 17.935 -5.331 -21.696 1.00 20.21 H new ATOM 0 HG3 GLU A 26 18.727 -5.724 -23.210 1.00 20.21 H new ATOM 431 N GLY A 27 20.438 -5.070 -25.319 1.00 60.12 N ATOM 432 CA GLY A 27 21.668 -5.790 -25.593 1.00 71.11 C ATOM 433 C GLY A 27 22.432 -5.208 -26.766 1.00 75.10 C ATOM 434 O GLY A 27 23.624 -4.926 -26.660 1.00 42.21 O ATOM 0 H GLY A 27 19.623 -5.403 -25.834 1.00 60.12 H new ATOM 0 HA2 GLY A 27 22.301 -5.772 -24.706 1.00 71.11 H new ATOM 0 HA3 GLY A 27 21.436 -6.835 -25.797 1.00 71.11 H new ATOM 438 N ASN A 28 21.743 -5.030 -27.889 1.00 13.34 N ATOM 439 CA ASN A 28 22.365 -4.480 -29.088 1.00 14.43 C ATOM 440 C ASN A 28 22.679 -2.998 -28.906 1.00 41.34 C ATOM 441 O ASN A 28 23.678 -2.496 -29.423 1.00 12.45 O ATOM 442 CB ASN A 28 21.448 -4.674 -30.297 1.00 43.35 C ATOM 443 CG ASN A 28 20.427 -3.561 -30.434 1.00 3.21 C ATOM 444 OD1 ASN A 28 20.520 -2.725 -31.333 1.00 40.00 O ATOM 445 ND2 ASN A 28 19.446 -3.545 -29.539 1.00 61.32 N ATOM 0 H ASN A 28 20.754 -5.259 -27.993 1.00 13.34 H new ATOM 0 HA ASN A 28 23.300 -5.013 -29.260 1.00 14.43 H new ATOM 0 HB2 ASN A 28 22.052 -4.723 -31.203 1.00 43.35 H new ATOM 0 HB3 ASN A 28 20.930 -5.629 -30.207 1.00 43.35 H new ATOM 0 HD21 ASN A 28 18.730 -2.820 -29.580 1.00 61.32 H new ATOM 0 HD22 ASN A 28 19.408 -4.258 -28.811 1.00 61.32 H new ATOM 452 N LYS A 29 21.820 -2.302 -28.169 1.00 20.20 N ATOM 453 CA LYS A 29 22.005 -0.878 -27.917 1.00 24.13 C ATOM 454 C LYS A 29 23.078 -0.649 -26.857 1.00 11.54 C ATOM 455 O LYS A 29 23.714 0.405 -26.821 1.00 55.32 O ATOM 456 CB LYS A 29 20.687 -0.243 -27.470 1.00 1.54 C ATOM 457 CG LYS A 29 20.382 -0.448 -25.996 1.00 11.31 C ATOM 458 CD LYS A 29 18.948 -0.068 -25.665 1.00 43.01 C ATOM 459 CE LYS A 29 18.799 0.324 -24.203 1.00 74.31 C ATOM 460 NZ LYS A 29 18.946 1.792 -24.004 1.00 55.24 N ATOM 0 H LYS A 29 20.988 -2.702 -27.735 1.00 20.20 H new ATOM 0 HA LYS A 29 22.330 -0.409 -28.845 1.00 24.13 H new ATOM 0 HB2 LYS A 29 20.719 0.826 -27.681 1.00 1.54 H new ATOM 0 HB3 LYS A 29 19.873 -0.661 -28.062 1.00 1.54 H new ATOM 0 HG2 LYS A 29 20.554 -1.491 -25.730 1.00 11.31 H new ATOM 0 HG3 LYS A 29 21.066 0.151 -25.395 1.00 11.31 H new ATOM 0 HD2 LYS A 29 18.635 0.761 -26.299 1.00 43.01 H new ATOM 0 HD3 LYS A 29 18.288 -0.906 -25.887 1.00 43.01 H new ATOM 0 HE2 LYS A 29 17.823 0.004 -23.839 1.00 74.31 H new ATOM 0 HE3 LYS A 29 19.548 -0.200 -23.609 1.00 74.31 H new ATOM 0 HZ1 LYS A 29 18.838 2.018 -22.995 1.00 55.24 H new ATOM 0 HZ2 LYS A 29 19.887 2.094 -24.327 1.00 55.24 H new ATOM 0 HZ3 LYS A 29 18.216 2.291 -24.551 1.00 55.24 H new ATOM 474 N ASP A 30 23.275 -1.641 -25.996 1.00 73.21 N ATOM 475 CA ASP A 30 24.273 -1.548 -24.937 1.00 35.14 C ATOM 476 C ASP A 30 25.657 -1.274 -25.516 1.00 54.43 C ATOM 477 O ASP A 30 26.520 -0.704 -24.848 1.00 72.12 O ATOM 478 CB ASP A 30 24.297 -2.838 -24.115 1.00 13.22 C ATOM 479 CG ASP A 30 23.902 -2.610 -22.669 1.00 30.52 C ATOM 480 OD1 ASP A 30 24.190 -1.516 -22.141 1.00 35.11 O ATOM 481 OD2 ASP A 30 23.306 -3.527 -22.065 1.00 22.22 O ATOM 0 H ASP A 30 22.757 -2.519 -26.011 1.00 73.21 H new ATOM 0 HA ASP A 30 24.000 -0.717 -24.287 1.00 35.14 H new ATOM 0 HB2 ASP A 30 23.619 -3.564 -24.564 1.00 13.22 H new ATOM 0 HB3 ASP A 30 25.297 -3.270 -24.152 1.00 13.22 H new ATOM 486 N LYS A 31 25.862 -1.683 -26.763 1.00 60.54 N ATOM 487 CA LYS A 31 27.141 -1.482 -27.435 1.00 33.34 C ATOM 488 C LYS A 31 27.221 -0.087 -28.045 1.00 3.43 C ATOM 489 O LYS A 31 28.287 0.529 -28.070 1.00 10.14 O ATOM 490 CB LYS A 31 27.340 -2.539 -28.524 1.00 2.24 C ATOM 491 CG LYS A 31 27.333 -3.964 -27.997 1.00 52.34 C ATOM 492 CD LYS A 31 28.645 -4.314 -27.317 1.00 4.43 C ATOM 493 CE LYS A 31 29.708 -4.714 -28.328 1.00 63.32 C ATOM 494 NZ LYS A 31 30.980 -5.117 -27.666 1.00 60.23 N ATOM 0 H LYS A 31 25.158 -2.156 -27.330 1.00 60.54 H new ATOM 0 HA LYS A 31 27.933 -1.581 -26.693 1.00 33.34 H new ATOM 0 HB2 LYS A 31 26.553 -2.433 -29.270 1.00 2.24 H new ATOM 0 HB3 LYS A 31 28.287 -2.353 -29.031 1.00 2.24 H new ATOM 0 HG2 LYS A 31 26.512 -4.087 -27.291 1.00 52.34 H new ATOM 0 HG3 LYS A 31 27.153 -4.656 -28.820 1.00 52.34 H new ATOM 0 HD2 LYS A 31 28.995 -3.459 -26.738 1.00 4.43 H new ATOM 0 HD3 LYS A 31 28.485 -5.131 -26.614 1.00 4.43 H new ATOM 0 HE2 LYS A 31 29.338 -5.539 -28.937 1.00 63.32 H new ATOM 0 HE3 LYS A 31 29.899 -3.880 -29.004 1.00 63.32 H new ATOM 0 HZ1 LYS A 31 31.679 -5.382 -28.389 1.00 60.23 H new ATOM 0 HZ2 LYS A 31 31.347 -4.322 -27.105 1.00 60.23 H new ATOM 0 HZ3 LYS A 31 30.804 -5.929 -27.041 1.00 60.23 H new ATOM 508 N TRP A 32 26.089 0.406 -28.534 1.00 3.33 N ATOM 509 CA TRP A 32 26.033 1.731 -29.142 1.00 75.54 C ATOM 510 C TRP A 32 26.640 2.781 -28.219 1.00 34.34 C ATOM 511 O TRP A 32 27.195 3.779 -28.677 1.00 53.42 O ATOM 512 CB TRP A 32 24.586 2.100 -29.474 1.00 51.22 C ATOM 513 CG TRP A 32 24.063 1.413 -30.700 1.00 4.54 C ATOM 514 CD1 TRP A 32 24.168 0.086 -31.003 1.00 21.14 C ATOM 515 CD2 TRP A 32 23.356 2.021 -31.786 1.00 63.45 C ATOM 516 NE1 TRP A 32 23.569 -0.169 -32.213 1.00 12.34 N ATOM 517 CE2 TRP A 32 23.062 1.001 -32.713 1.00 44.44 C ATOM 518 CE3 TRP A 32 22.941 3.325 -32.066 1.00 41.20 C ATOM 519 CZ2 TRP A 32 22.374 1.249 -33.898 1.00 62.11 C ATOM 520 CZ3 TRP A 32 22.258 3.569 -33.242 1.00 45.35 C ATOM 521 CH2 TRP A 32 21.980 2.535 -34.146 1.00 52.53 C ATOM 0 H TRP A 32 25.198 -0.091 -28.522 1.00 3.33 H new ATOM 0 HA TRP A 32 26.615 1.706 -30.063 1.00 75.54 H new ATOM 0 HB2 TRP A 32 23.950 1.847 -28.626 1.00 51.22 H new ATOM 0 HB3 TRP A 32 24.517 3.179 -29.613 1.00 51.22 H new ATOM 0 HD1 TRP A 32 24.651 -0.655 -30.383 1.00 21.14 H new ATOM 0 HE1 TRP A 32 23.511 -1.081 -32.665 1.00 12.34 H new ATOM 0 HE3 TRP A 32 23.150 4.128 -31.375 1.00 41.20 H new ATOM 0 HZ2 TRP A 32 22.159 0.454 -34.597 1.00 62.11 H new ATOM 0 HZ3 TRP A 32 21.933 4.574 -33.468 1.00 45.35 H new ATOM 0 HH2 TRP A 32 21.444 2.758 -35.057 1.00 52.53 H new ATOM 532 N LYS A 33 26.531 2.549 -26.915 1.00 10.32 N ATOM 533 CA LYS A 33 27.071 3.475 -25.925 1.00 74.54 C ATOM 534 C LYS A 33 28.568 3.680 -26.133 1.00 13.43 C ATOM 535 O LYS A 33 29.093 4.766 -25.892 1.00 4.30 O ATOM 536 CB LYS A 33 26.808 2.952 -24.511 1.00 72.23 C ATOM 537 CG LYS A 33 25.337 2.939 -24.131 1.00 63.01 C ATOM 538 CD LYS A 33 25.130 2.407 -22.723 1.00 1.01 C ATOM 539 CE LYS A 33 24.214 3.313 -21.914 1.00 62.21 C ATOM 540 NZ LYS A 33 22.777 3.031 -22.183 1.00 71.02 N ATOM 0 H LYS A 33 26.074 1.728 -26.519 1.00 10.32 H new ATOM 0 HA LYS A 33 26.570 4.435 -26.049 1.00 74.54 H new ATOM 0 HB2 LYS A 33 27.205 1.940 -24.427 1.00 72.23 H new ATOM 0 HB3 LYS A 33 27.354 3.569 -23.797 1.00 72.23 H new ATOM 0 HG2 LYS A 33 24.933 3.949 -24.203 1.00 63.01 H new ATOM 0 HG3 LYS A 33 24.783 2.323 -24.839 1.00 63.01 H new ATOM 0 HD2 LYS A 33 24.703 1.405 -22.771 1.00 1.01 H new ATOM 0 HD3 LYS A 33 26.093 2.320 -22.221 1.00 1.01 H new ATOM 0 HE2 LYS A 33 24.418 3.180 -20.851 1.00 62.21 H new ATOM 0 HE3 LYS A 33 24.431 4.354 -22.152 1.00 62.21 H new ATOM 0 HZ1 LYS A 33 22.185 3.669 -21.613 1.00 71.02 H new ATOM 0 HZ2 LYS A 33 22.577 3.182 -23.192 1.00 71.02 H new ATOM 0 HZ3 LYS A 33 22.564 2.045 -21.932 1.00 71.02 H new ATOM 554 N ASN A 34 29.248 2.631 -26.582 1.00 22.22 N ATOM 555 CA ASN A 34 30.685 2.698 -26.822 1.00 61.54 C ATOM 556 C ASN A 34 31.425 3.162 -25.572 1.00 10.43 C ATOM 557 O ASN A 34 32.510 3.739 -25.658 1.00 73.14 O ATOM 558 CB ASN A 34 30.985 3.643 -27.987 1.00 51.31 C ATOM 559 CG ASN A 34 32.427 3.553 -28.449 1.00 14.13 C ATOM 560 OD1 ASN A 34 33.226 4.456 -28.203 1.00 4.23 O ATOM 561 ND2 ASN A 34 32.765 2.460 -29.122 1.00 72.31 N ATOM 0 H ASN A 34 28.828 1.725 -26.787 1.00 22.22 H new ATOM 0 HA ASN A 34 31.032 1.697 -27.077 1.00 61.54 H new ATOM 0 HB2 ASN A 34 30.324 3.408 -28.821 1.00 51.31 H new ATOM 0 HB3 ASN A 34 30.766 4.667 -27.686 1.00 51.31 H new ATOM 0 HD21 ASN A 34 33.721 2.343 -29.458 1.00 72.31 H new ATOM 0 HD22 ASN A 34 32.069 1.737 -29.303 1.00 72.31 H new ATOM 568 N ILE A 35 30.831 2.907 -24.411 1.00 4.33 N ATOM 569 CA ILE A 35 31.435 3.298 -23.143 1.00 31.03 C ATOM 570 C ILE A 35 32.632 2.415 -22.809 1.00 23.25 C ATOM 571 O ILE A 35 33.733 2.909 -22.563 1.00 52.25 O ATOM 572 CB ILE A 35 30.418 3.223 -21.988 1.00 70.05 C ATOM 573 CG1 ILE A 35 31.056 3.709 -20.685 1.00 71.24 C ATOM 574 CG2 ILE A 35 29.898 1.802 -21.832 1.00 71.23 C ATOM 575 CD1 ILE A 35 30.134 4.562 -19.842 1.00 72.44 C ATOM 0 H ILE A 35 29.933 2.432 -24.322 1.00 4.33 H new ATOM 0 HA ILE A 35 31.768 4.330 -23.257 1.00 31.03 H new ATOM 0 HB ILE A 35 29.576 3.874 -22.222 1.00 70.05 H new ATOM 0 HG12 ILE A 35 31.373 2.845 -20.101 1.00 71.24 H new ATOM 0 HG13 ILE A 35 31.953 4.282 -20.921 1.00 71.24 H new ATOM 0 HG21 ILE A 35 29.181 1.765 -21.012 1.00 71.23 H new ATOM 0 HG22 ILE A 35 29.410 1.490 -22.755 1.00 71.23 H new ATOM 0 HG23 ILE A 35 30.730 1.132 -21.616 1.00 71.23 H new ATOM 0 HD11 ILE A 35 30.653 4.871 -18.934 1.00 72.44 H new ATOM 0 HD12 ILE A 35 29.836 5.445 -20.408 1.00 72.44 H new ATOM 0 HD13 ILE A 35 29.248 3.986 -19.576 1.00 72.44 H new TER 587 ILE A 35