USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 308 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.242 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 148:sc= -0.254 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 2.544 0.070 -0.655 1.00 13.00 N ATOM 2 CA GLY A 26 3.567 0.039 -1.737 1.00 45.03 C ATOM 3 C GLY A 26 3.802 -1.359 -2.274 1.00 43.23 C ATOM 4 O GLY A 26 4.889 -1.915 -2.123 1.00 51.22 O ATOM 0 HA2 GLY A 26 3.249 0.689 -2.552 1.00 45.03 H new ATOM 0 HA3 GLY A 26 4.506 0.441 -1.356 1.00 45.03 H new ATOM 10 N GLY A 27 2.781 -1.929 -2.906 1.00 12.42 N ATOM 11 CA GLY A 27 2.903 -3.265 -3.458 1.00 55.22 C ATOM 12 C GLY A 27 3.833 -3.318 -4.655 1.00 75.15 C ATOM 13 O GLY A 27 4.364 -4.377 -4.989 1.00 22.54 O ATOM 0 H GLY A 27 1.871 -1.489 -3.046 1.00 12.42 H new ATOM 0 HA2 GLY A 27 3.271 -3.941 -2.686 1.00 55.22 H new ATOM 0 HA3 GLY A 27 1.917 -3.624 -3.752 1.00 55.22 H new ATOM 17 N LEU A 28 4.034 -2.172 -5.303 1.00 62.52 N ATOM 18 CA LEU A 28 4.911 -2.097 -6.468 1.00 51.41 C ATOM 19 C LEU A 28 6.294 -2.621 -6.116 1.00 32.44 C ATOM 20 O LEU A 28 6.757 -3.614 -6.678 1.00 61.24 O ATOM 21 CB LEU A 28 5.008 -0.654 -6.978 1.00 14.40 C ATOM 22 CG LEU A 28 3.687 0.127 -7.014 1.00 22.43 C ATOM 23 CD1 LEU A 28 2.498 -0.811 -7.179 1.00 25.33 C ATOM 24 CD2 LEU A 28 3.533 0.969 -5.755 1.00 3.44 C ATOM 0 H LEU A 28 3.602 -1.286 -5.041 1.00 62.52 H new ATOM 0 HA LEU A 28 4.488 -2.716 -7.259 1.00 51.41 H new ATOM 0 HB2 LEU A 28 5.713 -0.112 -6.348 1.00 14.40 H new ATOM 0 HB3 LEU A 28 5.427 -0.671 -7.984 1.00 14.40 H new ATOM 0 HG LEU A 28 3.712 0.792 -7.877 1.00 22.43 H new ATOM 0 HD11 LEU A 28 1.576 -0.230 -7.201 1.00 25.33 H new ATOM 0 HD12 LEU A 28 2.599 -1.366 -8.111 1.00 25.33 H new ATOM 0 HD13 LEU A 28 2.467 -1.509 -6.343 1.00 25.33 H new ATOM 0 HD21 LEU A 28 2.591 1.516 -5.796 1.00 3.44 H new ATOM 0 HD22 LEU A 28 3.537 0.319 -4.880 1.00 3.44 H new ATOM 0 HD23 LEU A 28 4.360 1.675 -5.686 1.00 3.44 H new ATOM 36 N LYS A 29 6.937 -1.962 -5.163 1.00 15.33 N ATOM 37 CA LYS A 29 8.254 -2.378 -4.710 1.00 3.14 C ATOM 38 C LYS A 29 8.168 -3.767 -4.088 1.00 52.33 C ATOM 39 O LYS A 29 9.158 -4.499 -4.028 1.00 41.44 O ATOM 40 CB LYS A 29 8.814 -1.376 -3.698 1.00 55.13 C ATOM 41 CG LYS A 29 10.238 -0.940 -3.998 1.00 42.51 C ATOM 42 CD LYS A 29 10.756 0.034 -2.952 1.00 1.03 C ATOM 43 CE LYS A 29 11.848 0.929 -3.515 1.00 12.52 C ATOM 44 NZ LYS A 29 13.081 0.161 -3.843 1.00 20.03 N ATOM 0 H LYS A 29 6.567 -1.138 -4.689 1.00 15.33 H new ATOM 0 HA LYS A 29 8.928 -2.412 -5.566 1.00 3.14 H new ATOM 0 HB2 LYS A 29 8.171 -0.496 -3.676 1.00 55.13 H new ATOM 0 HB3 LYS A 29 8.781 -1.820 -2.703 1.00 55.13 H new ATOM 0 HG2 LYS A 29 10.887 -1.815 -4.035 1.00 42.51 H new ATOM 0 HG3 LYS A 29 10.277 -0.473 -4.982 1.00 42.51 H new ATOM 0 HD2 LYS A 29 9.933 0.648 -2.587 1.00 1.03 H new ATOM 0 HD3 LYS A 29 11.144 -0.521 -2.097 1.00 1.03 H new ATOM 0 HE2 LYS A 29 11.482 1.428 -4.412 1.00 12.52 H new ATOM 0 HE3 LYS A 29 12.087 1.709 -2.792 1.00 12.52 H new ATOM 0 HZ1 LYS A 29 13.801 0.807 -4.224 1.00 20.03 H new ATOM 0 HZ2 LYS A 29 13.445 -0.295 -2.982 1.00 20.03 H new ATOM 0 HZ3 LYS A 29 12.859 -0.566 -4.552 1.00 20.03 H new ATOM 58 N LYS A 30 6.970 -4.125 -3.628 1.00 0.34 N ATOM 59 CA LYS A 30 6.738 -5.425 -3.010 1.00 12.23 C ATOM 60 C LYS A 30 6.868 -6.544 -4.038 1.00 31.32 C ATOM 61 O LYS A 30 7.487 -7.574 -3.776 1.00 43.04 O ATOM 62 CB LYS A 30 5.349 -5.465 -2.368 1.00 12.33 C ATOM 63 CG LYS A 30 5.291 -6.294 -1.095 1.00 41.21 C ATOM 64 CD LYS A 30 4.205 -7.357 -1.167 1.00 53.31 C ATOM 65 CE LYS A 30 3.399 -7.420 0.121 1.00 62.44 C ATOM 66 NZ LYS A 30 1.956 -7.681 -0.138 1.00 4.02 N ATOM 0 H LYS A 30 6.144 -3.529 -3.673 1.00 0.34 H new ATOM 0 HA LYS A 30 7.493 -5.575 -2.238 1.00 12.23 H new ATOM 0 HB2 LYS A 30 5.032 -4.447 -2.143 1.00 12.33 H new ATOM 0 HB3 LYS A 30 4.637 -5.869 -3.088 1.00 12.33 H new ATOM 0 HG2 LYS A 30 6.257 -6.771 -0.926 1.00 41.21 H new ATOM 0 HG3 LYS A 30 5.105 -5.640 -0.243 1.00 41.21 H new ATOM 0 HD2 LYS A 30 3.540 -7.143 -2.003 1.00 53.31 H new ATOM 0 HD3 LYS A 30 4.658 -8.329 -1.361 1.00 53.31 H new ATOM 0 HE2 LYS A 30 3.800 -8.205 0.762 1.00 62.44 H new ATOM 0 HE3 LYS A 30 3.506 -6.480 0.663 1.00 62.44 H new ATOM 0 HZ1 LYS A 30 1.442 -7.716 0.765 1.00 4.02 H new ATOM 0 HZ2 LYS A 30 1.566 -6.919 -0.729 1.00 4.02 H new ATOM 0 HZ3 LYS A 30 1.851 -8.590 -0.632 1.00 4.02 H new ATOM 80 N LEU A 31 6.278 -6.332 -5.211 1.00 13.41 N ATOM 81 CA LEU A 31 6.326 -7.321 -6.281 1.00 34.42 C ATOM 82 C LEU A 31 7.739 -7.448 -6.840 1.00 14.05 C ATOM 83 O LEU A 31 8.244 -8.554 -7.034 1.00 53.24 O ATOM 84 CB LEU A 31 5.355 -6.940 -7.400 1.00 43.52 C ATOM 85 CG LEU A 31 5.313 -7.911 -8.580 1.00 22.04 C ATOM 86 CD1 LEU A 31 4.745 -9.254 -8.148 1.00 54.54 C ATOM 87 CD2 LEU A 31 4.494 -7.326 -9.721 1.00 22.14 C ATOM 0 H LEU A 31 5.761 -5.484 -5.444 1.00 13.41 H new ATOM 0 HA LEU A 31 6.030 -8.284 -5.865 1.00 34.42 H new ATOM 0 HB2 LEU A 31 4.353 -6.861 -6.979 1.00 43.52 H new ATOM 0 HB3 LEU A 31 5.624 -5.951 -7.772 1.00 43.52 H new ATOM 0 HG LEU A 31 6.332 -8.068 -8.933 1.00 22.04 H new ATOM 0 HD11 LEU A 31 4.723 -9.931 -9.002 1.00 54.54 H new ATOM 0 HD12 LEU A 31 5.372 -9.679 -7.364 1.00 54.54 H new ATOM 0 HD13 LEU A 31 3.733 -9.116 -7.769 1.00 54.54 H new ATOM 0 HD21 LEU A 31 4.474 -8.030 -10.553 1.00 22.14 H new ATOM 0 HD22 LEU A 31 3.476 -7.139 -9.380 1.00 22.14 H new ATOM 0 HD23 LEU A 31 4.944 -6.389 -10.049 1.00 22.14 H new ATOM 99 N GLY A 32 8.373 -6.309 -7.096 1.00 12.24 N ATOM 100 CA GLY A 32 9.722 -6.315 -7.629 1.00 11.42 C ATOM 101 C GLY A 32 10.726 -6.905 -6.658 1.00 44.25 C ATOM 102 O GLY A 32 11.661 -7.595 -7.065 1.00 11.12 O ATOM 0 H GLY A 32 7.976 -5.382 -6.944 1.00 12.24 H new ATOM 0 HA2 GLY A 32 9.740 -6.886 -8.557 1.00 11.42 H new ATOM 0 HA3 GLY A 32 10.016 -5.295 -7.876 1.00 11.42 H new ATOM 106 N LYS A 33 10.531 -6.633 -5.372 1.00 23.01 N ATOM 107 CA LYS A 33 11.426 -7.142 -4.338 1.00 12.13 C ATOM 108 C LYS A 33 11.265 -8.649 -4.165 1.00 55.33 C ATOM 109 O LYS A 33 12.209 -9.344 -3.788 1.00 35.31 O ATOM 110 CB LYS A 33 11.158 -6.432 -3.008 1.00 64.35 C ATOM 111 CG LYS A 33 11.935 -5.136 -2.844 1.00 45.43 C ATOM 112 CD LYS A 33 12.166 -4.806 -1.378 1.00 45.11 C ATOM 113 CE LYS A 33 13.590 -4.337 -1.130 1.00 64.44 C ATOM 114 NZ LYS A 33 13.867 -4.143 0.321 1.00 41.35 N ATOM 0 H LYS A 33 9.762 -6.063 -5.020 1.00 23.01 H new ATOM 0 HA LYS A 33 12.450 -6.941 -4.651 1.00 12.13 H new ATOM 0 HB2 LYS A 33 10.092 -6.220 -2.927 1.00 64.35 H new ATOM 0 HB3 LYS A 33 11.412 -7.105 -2.189 1.00 64.35 H new ATOM 0 HG2 LYS A 33 12.894 -5.219 -3.355 1.00 45.43 H new ATOM 0 HG3 LYS A 33 11.390 -4.321 -3.320 1.00 45.43 H new ATOM 0 HD2 LYS A 33 11.467 -4.031 -1.064 1.00 45.11 H new ATOM 0 HD3 LYS A 33 11.961 -5.686 -0.769 1.00 45.11 H new ATOM 0 HE2 LYS A 33 14.289 -5.067 -1.538 1.00 64.44 H new ATOM 0 HE3 LYS A 33 13.761 -3.400 -1.661 1.00 64.44 H new ATOM 0 HZ1 LYS A 33 14.848 -3.823 0.447 1.00 41.35 H new ATOM 0 HZ2 LYS A 33 13.217 -3.428 0.706 1.00 41.35 H new ATOM 0 HZ3 LYS A 33 13.729 -5.043 0.824 1.00 41.35 H new ATOM 128 N LYS A 34 10.065 -9.148 -4.443 1.00 2.22 N ATOM 129 CA LYS A 34 9.784 -10.574 -4.318 1.00 55.14 C ATOM 130 C LYS A 34 10.632 -11.381 -5.294 1.00 34.21 C ATOM 131 O LYS A 34 11.380 -12.273 -4.893 1.00 34.44 O ATOM 132 CB LYS A 34 8.300 -10.847 -4.571 1.00 24.40 C ATOM 133 CG LYS A 34 7.881 -12.274 -4.260 1.00 32.41 C ATOM 134 CD LYS A 34 8.144 -12.627 -2.804 1.00 1.14 C ATOM 135 CE LYS A 34 7.379 -11.712 -1.859 1.00 33.43 C ATOM 136 NZ LYS A 34 6.647 -12.479 -0.814 1.00 1.43 N ATOM 0 H LYS A 34 9.273 -8.587 -4.756 1.00 2.22 H new ATOM 0 HA LYS A 34 10.036 -10.881 -3.303 1.00 55.14 H new ATOM 0 HB2 LYS A 34 7.705 -10.163 -3.966 1.00 24.40 H new ATOM 0 HB3 LYS A 34 8.072 -10.630 -5.615 1.00 24.40 H new ATOM 0 HG2 LYS A 34 6.821 -12.399 -4.480 1.00 32.41 H new ATOM 0 HG3 LYS A 34 8.424 -12.963 -4.907 1.00 32.41 H new ATOM 0 HD2 LYS A 34 7.855 -13.662 -2.622 1.00 1.14 H new ATOM 0 HD3 LYS A 34 9.212 -12.553 -2.598 1.00 1.14 H new ATOM 0 HE2 LYS A 34 8.074 -11.021 -1.382 1.00 33.43 H new ATOM 0 HE3 LYS A 34 6.672 -11.110 -2.430 1.00 33.43 H new ATOM 0 HZ1 LYS A 34 6.139 -11.819 -0.191 1.00 1.43 H new ATOM 0 HZ2 LYS A 34 5.966 -13.121 -1.268 1.00 1.43 H new ATOM 0 HZ3 LYS A 34 7.324 -13.034 -0.252 1.00 1.43 H new ATOM 150 N LEU A 35 10.507 -11.060 -6.576 1.00 13.35 N ATOM 151 CA LEU A 35 11.259 -11.754 -7.614 1.00 50.34 C ATOM 152 C LEU A 35 12.751 -11.451 -7.501 1.00 74.22 C ATOM 153 O LEU A 35 13.587 -12.343 -7.638 1.00 32.14 O ATOM 154 CB LEU A 35 10.754 -11.346 -9.001 1.00 43.35 C ATOM 155 CG LEU A 35 10.975 -12.378 -10.114 1.00 52.54 C ATOM 156 CD1 LEU A 35 10.827 -11.723 -11.477 1.00 51.35 C ATOM 157 CD2 LEU A 35 12.344 -13.032 -9.986 1.00 32.41 C ATOM 0 H LEU A 35 9.892 -10.323 -6.922 1.00 13.35 H new ATOM 0 HA LEU A 35 11.109 -12.825 -7.478 1.00 50.34 H new ATOM 0 HB2 LEU A 35 9.687 -11.134 -8.932 1.00 43.35 H new ATOM 0 HB3 LEU A 35 11.245 -10.416 -9.288 1.00 43.35 H new ATOM 0 HG LEU A 35 10.217 -13.155 -10.013 1.00 52.54 H new ATOM 0 HD11 LEU A 35 10.986 -12.467 -12.257 1.00 51.35 H new ATOM 0 HD12 LEU A 35 9.825 -11.305 -11.573 1.00 51.35 H new ATOM 0 HD13 LEU A 35 11.564 -10.926 -11.580 1.00 51.35 H new ATOM 0 HD21 LEU A 35 12.476 -13.760 -10.787 1.00 32.41 H new ATOM 0 HD22 LEU A 35 13.120 -12.269 -10.057 1.00 32.41 H new ATOM 0 HD23 LEU A 35 12.418 -13.536 -9.022 1.00 32.41 H new ATOM 169 N GLU A 36 13.074 -10.186 -7.255 1.00 25.52 N ATOM 170 CA GLU A 36 14.465 -9.761 -7.128 1.00 70.12 C ATOM 171 C GLU A 36 15.204 -10.604 -6.092 1.00 22.32 C ATOM 172 O GLU A 36 16.362 -10.970 -6.289 1.00 44.11 O ATOM 173 CB GLU A 36 14.535 -8.283 -6.741 1.00 24.01 C ATOM 174 CG GLU A 36 14.600 -7.344 -7.935 1.00 20.42 C ATOM 175 CD GLU A 36 15.989 -7.263 -8.538 1.00 1.10 C ATOM 176 OE1 GLU A 36 16.845 -6.561 -7.962 1.00 64.33 O ATOM 177 OE2 GLU A 36 16.219 -7.903 -9.586 1.00 40.12 O ATOM 0 H GLU A 36 12.392 -9.436 -7.139 1.00 25.52 H new ATOM 0 HA GLU A 36 14.949 -9.902 -8.095 1.00 70.12 H new ATOM 0 HB2 GLU A 36 13.662 -8.032 -6.139 1.00 24.01 H new ATOM 0 HB3 GLU A 36 15.412 -8.121 -6.114 1.00 24.01 H new ATOM 0 HG2 GLU A 36 13.896 -7.681 -8.696 1.00 20.42 H new ATOM 0 HG3 GLU A 36 14.283 -6.348 -7.627 1.00 20.42 H new ATOM 184 N GLY A 37 14.527 -10.907 -4.990 1.00 70.11 N ATOM 185 CA GLY A 37 15.136 -11.704 -3.940 1.00 13.31 C ATOM 186 C GLY A 37 15.656 -13.036 -4.445 1.00 14.51 C ATOM 187 O GLY A 37 16.739 -13.474 -4.059 1.00 53.11 O ATOM 0 H GLY A 37 13.567 -10.615 -4.804 1.00 70.11 H new ATOM 0 HA2 GLY A 37 15.957 -11.143 -3.494 1.00 13.31 H new ATOM 0 HA3 GLY A 37 14.404 -11.879 -3.151 1.00 13.31 H new ATOM 191 N ALA A 38 14.882 -13.681 -5.311 1.00 74.12 N ATOM 192 CA ALA A 38 15.272 -14.970 -5.870 1.00 2.54 C ATOM 193 C ALA A 38 16.432 -14.812 -6.846 1.00 45.14 C ATOM 194 O ALA A 38 17.380 -15.595 -6.834 1.00 43.44 O ATOM 195 CB ALA A 38 14.085 -15.628 -6.558 1.00 15.14 C ATOM 0 H ALA A 38 13.982 -13.333 -5.641 1.00 74.12 H new ATOM 0 HA ALA A 38 15.602 -15.610 -5.052 1.00 2.54 H new ATOM 0 HB1 ALA A 38 14.391 -16.589 -6.971 1.00 15.14 H new ATOM 0 HB2 ALA A 38 13.284 -15.782 -5.834 1.00 15.14 H new ATOM 0 HB3 ALA A 38 13.728 -14.985 -7.362 1.00 15.14 H new ATOM 201 N GLY A 39 16.350 -13.794 -7.694 1.00 22.55 N ATOM 202 CA GLY A 39 17.400 -13.552 -8.666 1.00 40.33 C ATOM 203 C GLY A 39 18.766 -13.392 -8.025 1.00 1.41 C ATOM 204 O GLY A 39 19.790 -13.580 -8.682 1.00 33.24 O ATOM 0 H GLY A 39 15.575 -13.131 -7.726 1.00 22.55 H new ATOM 0 HA2 GLY A 39 17.431 -14.379 -9.375 1.00 40.33 H new ATOM 0 HA3 GLY A 39 17.163 -12.653 -9.235 1.00 40.33 H new ATOM 208 N LYS A 40 18.786 -13.039 -6.742 1.00 31.11 N ATOM 209 CA LYS A 40 20.045 -12.855 -6.026 1.00 72.40 C ATOM 210 C LYS A 40 20.613 -14.194 -5.568 1.00 51.22 C ATOM 211 O LYS A 40 21.817 -14.417 -5.643 1.00 15.43 O ATOM 212 CB LYS A 40 19.859 -11.931 -4.820 1.00 11.22 C ATOM 213 CG LYS A 40 18.791 -10.866 -5.020 1.00 15.15 C ATOM 214 CD LYS A 40 19.253 -9.508 -4.515 1.00 71.22 C ATOM 215 CE LYS A 40 18.780 -9.251 -3.095 1.00 44.45 C ATOM 216 NZ LYS A 40 19.558 -10.037 -2.100 1.00 50.45 N ATOM 0 H LYS A 40 17.950 -12.876 -6.180 1.00 31.11 H new ATOM 0 HA LYS A 40 20.751 -12.393 -6.716 1.00 72.40 H new ATOM 0 HB2 LYS A 40 19.599 -12.533 -3.949 1.00 11.22 H new ATOM 0 HB3 LYS A 40 20.808 -11.443 -4.598 1.00 11.22 H new ATOM 0 HG2 LYS A 40 18.541 -10.795 -6.079 1.00 15.15 H new ATOM 0 HG3 LYS A 40 17.881 -11.159 -4.496 1.00 15.15 H new ATOM 0 HD2 LYS A 40 20.341 -9.456 -4.552 1.00 71.22 H new ATOM 0 HD3 LYS A 40 18.874 -8.726 -5.173 1.00 71.22 H new ATOM 0 HE2 LYS A 40 18.870 -8.189 -2.869 1.00 44.45 H new ATOM 0 HE3 LYS A 40 17.723 -9.506 -3.013 1.00 44.45 H new ATOM 0 HZ1 LYS A 40 19.204 -9.833 -1.143 1.00 50.45 H new ATOM 0 HZ2 LYS A 40 19.452 -11.052 -2.300 1.00 50.45 H new ATOM 0 HZ3 LYS A 40 20.563 -9.776 -2.160 1.00 50.45 H new ATOM 230 N ARG A 41 19.744 -15.081 -5.093 1.00 60.44 N ATOM 231 CA ARG A 41 20.178 -16.397 -4.633 1.00 5.00 C ATOM 232 C ARG A 41 20.349 -17.350 -5.812 1.00 14.35 C ATOM 233 O ARG A 41 21.252 -18.187 -5.826 1.00 22.20 O ATOM 234 CB ARG A 41 19.177 -16.976 -3.625 1.00 12.13 C ATOM 235 CG ARG A 41 17.888 -17.495 -4.252 1.00 14.24 C ATOM 236 CD ARG A 41 18.005 -18.961 -4.648 1.00 31.02 C ATOM 237 NE ARG A 41 17.729 -19.855 -3.525 1.00 71.12 N ATOM 238 CZ ARG A 41 17.443 -21.147 -3.662 1.00 61.11 C ATOM 239 NH1 ARG A 41 17.389 -21.698 -4.868 1.00 35.13 N ATOM 240 NH2 ARG A 41 17.210 -21.892 -2.590 1.00 21.55 N ATOM 0 H ARG A 41 18.741 -14.915 -5.016 1.00 60.44 H new ATOM 0 HA ARG A 41 21.142 -16.281 -4.137 1.00 5.00 H new ATOM 0 HB2 ARG A 41 19.656 -17.790 -3.081 1.00 12.13 H new ATOM 0 HB3 ARG A 41 18.928 -16.207 -2.894 1.00 12.13 H new ATOM 0 HG2 ARG A 41 17.066 -17.373 -3.547 1.00 14.24 H new ATOM 0 HG3 ARG A 41 17.645 -16.899 -5.132 1.00 14.24 H new ATOM 0 HD2 ARG A 41 17.310 -19.174 -5.460 1.00 31.02 H new ATOM 0 HD3 ARG A 41 19.008 -19.155 -5.028 1.00 31.02 H new ATOM 0 HE ARG A 41 17.757 -19.466 -2.582 1.00 71.12 H new ATOM 0 HH11 ARG A 41 17.567 -21.130 -5.696 1.00 35.13 H new ATOM 0 HH12 ARG A 41 17.169 -22.689 -4.966 1.00 35.13 H new ATOM 0 HH21 ARG A 41 17.250 -21.474 -1.660 1.00 21.55 H new ATOM 0 HH22 ARG A 41 16.991 -22.883 -2.695 1.00 21.55 H new ATOM 254 N VAL A 42 19.461 -17.221 -6.791 1.00 42.42 N ATOM 255 CA VAL A 42 19.484 -18.068 -7.978 1.00 64.41 C ATOM 256 C VAL A 42 20.649 -17.724 -8.892 1.00 1.31 C ATOM 257 O VAL A 42 21.078 -18.548 -9.699 1.00 1.30 O ATOM 258 CB VAL A 42 18.178 -17.943 -8.775 1.00 30.20 C ATOM 259 CG1 VAL A 42 18.132 -18.966 -9.901 1.00 54.12 C ATOM 260 CG2 VAL A 42 16.984 -18.100 -7.854 1.00 11.43 C ATOM 0 H VAL A 42 18.710 -16.531 -6.785 1.00 42.42 H new ATOM 0 HA VAL A 42 19.600 -19.093 -7.625 1.00 64.41 H new ATOM 0 HB VAL A 42 18.140 -16.950 -9.223 1.00 30.20 H new ATOM 0 HG11 VAL A 42 17.198 -18.859 -10.452 1.00 54.12 H new ATOM 0 HG12 VAL A 42 18.972 -18.802 -10.576 1.00 54.12 H new ATOM 0 HG13 VAL A 42 18.193 -19.971 -9.483 1.00 54.12 H new ATOM 0 HG21 VAL A 42 16.064 -18.009 -8.432 1.00 11.43 H new ATOM 0 HG22 VAL A 42 17.018 -19.080 -7.378 1.00 11.43 H new ATOM 0 HG23 VAL A 42 17.010 -17.324 -7.089 1.00 11.43 H new ATOM 270 N PHE A 43 21.156 -16.503 -8.772 1.00 42.14 N ATOM 271 CA PHE A 43 22.271 -16.060 -9.597 1.00 43.01 C ATOM 272 C PHE A 43 23.389 -17.104 -9.607 1.00 1.54 C ATOM 273 O PHE A 43 24.140 -17.210 -10.574 1.00 72.11 O ATOM 274 CB PHE A 43 22.788 -14.705 -9.100 1.00 64.33 C ATOM 275 CG PHE A 43 23.842 -14.800 -8.036 1.00 20.51 C ATOM 276 CD1 PHE A 43 23.657 -15.606 -6.926 1.00 53.44 C ATOM 277 CD2 PHE A 43 25.016 -14.078 -8.149 1.00 64.20 C ATOM 278 CE1 PHE A 43 24.626 -15.690 -5.944 1.00 44.43 C ATOM 279 CE2 PHE A 43 25.990 -14.157 -7.171 1.00 2.45 C ATOM 280 CZ PHE A 43 25.795 -14.964 -6.068 1.00 3.41 C ATOM 0 H PHE A 43 20.813 -15.804 -8.113 1.00 42.14 H new ATOM 0 HA PHE A 43 21.920 -15.941 -10.622 1.00 43.01 H new ATOM 0 HB2 PHE A 43 23.192 -14.150 -9.947 1.00 64.33 H new ATOM 0 HB3 PHE A 43 21.948 -14.128 -8.713 1.00 64.33 H new ATOM 0 HD1 PHE A 43 22.745 -16.176 -6.826 1.00 53.44 H new ATOM 0 HD2 PHE A 43 25.174 -13.446 -9.010 1.00 64.20 H new ATOM 0 HE1 PHE A 43 24.470 -16.322 -5.082 1.00 44.43 H new ATOM 0 HE2 PHE A 43 26.903 -13.588 -7.270 1.00 2.45 H new ATOM 0 HZ PHE A 43 26.555 -15.028 -5.303 1.00 3.41 H new ATOM 290 N LYS A 44 23.479 -17.884 -8.531 1.00 74.21 N ATOM 291 CA LYS A 44 24.489 -18.929 -8.425 1.00 24.35 C ATOM 292 C LYS A 44 24.078 -20.131 -9.265 1.00 74.14 C ATOM 293 O LYS A 44 24.917 -20.819 -9.846 1.00 43.32 O ATOM 294 CB LYS A 44 24.679 -19.344 -6.963 1.00 63.12 C ATOM 295 CG LYS A 44 26.029 -18.946 -6.390 1.00 44.30 C ATOM 296 CD LYS A 44 26.148 -19.331 -4.924 1.00 74.34 C ATOM 297 CE LYS A 44 26.341 -20.830 -4.756 1.00 53.13 C ATOM 298 NZ LYS A 44 26.017 -21.280 -3.374 1.00 52.02 N ATOM 0 H LYS A 44 22.863 -17.810 -7.721 1.00 74.21 H new ATOM 0 HA LYS A 44 25.437 -18.541 -8.798 1.00 24.35 H new ATOM 0 HB2 LYS A 44 23.890 -18.893 -6.360 1.00 63.12 H new ATOM 0 HB3 LYS A 44 24.563 -20.425 -6.883 1.00 63.12 H new ATOM 0 HG2 LYS A 44 26.823 -19.428 -6.959 1.00 44.30 H new ATOM 0 HG3 LYS A 44 26.168 -17.870 -6.497 1.00 44.30 H new ATOM 0 HD2 LYS A 44 26.989 -18.802 -4.475 1.00 74.34 H new ATOM 0 HD3 LYS A 44 25.251 -19.016 -4.390 1.00 74.34 H new ATOM 0 HE2 LYS A 44 25.708 -21.360 -5.468 1.00 53.13 H new ATOM 0 HE3 LYS A 44 27.373 -21.092 -4.991 1.00 53.13 H new ATOM 0 HZ1 LYS A 44 26.161 -22.307 -3.301 1.00 52.02 H new ATOM 0 HZ2 LYS A 44 26.638 -20.794 -2.696 1.00 52.02 H new ATOM 0 HZ3 LYS A 44 25.025 -21.053 -3.159 1.00 52.02 H new ATOM 312 N ALA A 45 22.772 -20.362 -9.331 1.00 40.22 N ATOM 313 CA ALA A 45 22.221 -21.462 -10.106 1.00 54.52 C ATOM 314 C ALA A 45 22.236 -21.122 -11.591 1.00 11.22 C ATOM 315 O ALA A 45 22.403 -21.997 -12.440 1.00 53.14 O ATOM 316 CB ALA A 45 20.802 -21.766 -9.642 1.00 54.03 C ATOM 0 H ALA A 45 22.072 -19.796 -8.852 1.00 40.22 H new ATOM 0 HA ALA A 45 22.837 -22.348 -9.950 1.00 54.52 H new ATOM 0 HB1 ALA A 45 20.397 -22.591 -10.228 1.00 54.03 H new ATOM 0 HB2 ALA A 45 20.815 -22.042 -8.587 1.00 54.03 H new ATOM 0 HB3 ALA A 45 20.178 -20.883 -9.778 1.00 54.03 H new ATOM 322 N SER A 46 22.062 -19.838 -11.892 1.00 71.14 N ATOM 323 CA SER A 46 22.056 -19.365 -13.271 1.00 33.33 C ATOM 324 C SER A 46 23.474 -19.093 -13.763 1.00 31.10 C ATOM 325 O SER A 46 23.842 -19.488 -14.870 1.00 35.05 O ATOM 326 CB SER A 46 21.210 -18.096 -13.392 1.00 42.01 C ATOM 327 OG SER A 46 21.902 -16.969 -12.882 1.00 11.22 O ATOM 0 H SER A 46 21.923 -19.105 -11.196 1.00 71.14 H new ATOM 0 HA SER A 46 21.620 -20.147 -13.894 1.00 33.33 H new ATOM 0 HB2 SER A 46 20.952 -17.926 -14.437 1.00 42.01 H new ATOM 0 HB3 SER A 46 20.273 -18.227 -12.850 1.00 42.01 H new ATOM 0 HG SER A 46 21.340 -16.171 -12.973 1.00 11.22 H new ATOM 333 N GLU A 47 24.270 -18.413 -12.938 1.00 44.25 N ATOM 334 CA GLU A 47 25.647 -18.091 -13.300 1.00 11.45 C ATOM 335 C GLU A 47 26.411 -19.347 -13.707 1.00 21.40 C ATOM 336 O GLU A 47 27.259 -19.312 -14.597 1.00 2.24 O ATOM 337 CB GLU A 47 26.368 -17.400 -12.140 1.00 22.53 C ATOM 338 CG GLU A 47 26.600 -18.302 -10.939 1.00 30.31 C ATOM 339 CD GLU A 47 27.845 -19.156 -11.081 1.00 4.03 C ATOM 340 OE1 GLU A 47 28.718 -18.801 -11.900 1.00 75.41 O ATOM 341 OE2 GLU A 47 27.945 -20.180 -10.373 1.00 41.43 O ATOM 0 H GLU A 47 23.985 -18.076 -12.018 1.00 44.25 H new ATOM 0 HA GLU A 47 25.614 -17.409 -14.150 1.00 11.45 H new ATOM 0 HB2 GLU A 47 27.329 -17.026 -12.493 1.00 22.53 H new ATOM 0 HB3 GLU A 47 25.785 -16.534 -11.826 1.00 22.53 H new ATOM 0 HG2 GLU A 47 26.685 -17.690 -10.041 1.00 30.31 H new ATOM 0 HG3 GLU A 47 25.734 -18.949 -10.803 1.00 30.31 H new ATOM 348 N LYS A 48 26.102 -20.457 -13.043 1.00 21.14 N ATOM 349 CA LYS A 48 26.757 -21.728 -13.329 1.00 20.44 C ATOM 350 C LYS A 48 26.408 -22.219 -14.731 1.00 75.30 C ATOM 351 O LYS A 48 27.249 -22.792 -15.424 1.00 61.45 O ATOM 352 CB LYS A 48 26.353 -22.777 -12.293 1.00 4.11 C ATOM 353 CG LYS A 48 27.481 -23.724 -11.915 1.00 73.14 C ATOM 354 CD LYS A 48 27.214 -25.139 -12.403 1.00 52.11 C ATOM 355 CE LYS A 48 28.502 -25.937 -12.528 1.00 61.33 C ATOM 356 NZ LYS A 48 28.876 -26.594 -11.245 1.00 22.33 N ATOM 0 H LYS A 48 25.402 -20.501 -12.303 1.00 21.14 H new ATOM 0 HA LYS A 48 27.835 -21.572 -13.278 1.00 20.44 H new ATOM 0 HB2 LYS A 48 25.998 -22.271 -11.395 1.00 4.11 H new ATOM 0 HB3 LYS A 48 25.517 -23.358 -12.683 1.00 4.11 H new ATOM 0 HG2 LYS A 48 28.417 -23.363 -12.340 1.00 73.14 H new ATOM 0 HG3 LYS A 48 27.604 -23.730 -10.832 1.00 73.14 H new ATOM 0 HD2 LYS A 48 26.539 -25.642 -11.711 1.00 52.11 H new ATOM 0 HD3 LYS A 48 26.712 -25.103 -13.370 1.00 52.11 H new ATOM 0 HE2 LYS A 48 28.386 -26.694 -13.303 1.00 61.33 H new ATOM 0 HE3 LYS A 48 29.309 -25.277 -12.846 1.00 61.33 H new ATOM 0 HZ1 LYS A 48 29.759 -27.128 -11.373 1.00 22.33 H new ATOM 0 HZ2 LYS A 48 29.012 -25.870 -10.511 1.00 22.33 H new ATOM 0 HZ3 LYS A 48 28.118 -27.244 -10.954 1.00 22.33 H new ATOM 370 N ALA A 49 25.165 -21.993 -15.142 1.00 23.31 N ATOM 371 CA ALA A 49 24.712 -22.416 -16.461 1.00 70.21 C ATOM 372 C ALA A 49 24.761 -21.278 -17.468 1.00 4.45 C ATOM 373 O ALA A 49 24.200 -21.395 -18.553 1.00 65.30 O ATOM 374 CB ALA A 49 23.306 -22.975 -16.392 1.00 63.13 C ATOM 0 H ALA A 49 24.455 -21.521 -14.582 1.00 23.31 H new ATOM 0 HA ALA A 49 25.394 -23.197 -16.797 1.00 70.21 H new ATOM 0 HB1 ALA A 49 22.988 -23.284 -17.388 1.00 63.13 H new ATOM 0 HB2 ALA A 49 23.289 -23.835 -15.722 1.00 63.13 H new ATOM 0 HB3 ALA A 49 22.628 -22.209 -16.017 1.00 63.13 H new ATOM 380 N LEU A 50 25.444 -20.184 -17.134 1.00 60.44 N ATOM 381 CA LEU A 50 25.546 -19.071 -18.069 1.00 31.33 C ATOM 382 C LEU A 50 26.147 -19.548 -19.381 1.00 72.34 C ATOM 383 O LEU A 50 25.656 -19.230 -20.455 1.00 5.41 O ATOM 384 CB LEU A 50 26.358 -17.910 -17.487 1.00 70.52 C ATOM 385 CG LEU A 50 26.599 -16.733 -18.432 1.00 71.02 C ATOM 386 CD1 LEU A 50 26.448 -15.414 -17.691 1.00 62.45 C ATOM 387 CD2 LEU A 50 27.979 -16.834 -19.064 1.00 40.31 C ATOM 0 H LEU A 50 25.924 -20.048 -16.244 1.00 60.44 H new ATOM 0 HA LEU A 50 24.540 -18.695 -18.255 1.00 31.33 H new ATOM 0 HB2 LEU A 50 25.845 -17.541 -16.599 1.00 70.52 H new ATOM 0 HB3 LEU A 50 27.324 -18.294 -17.160 1.00 70.52 H new ATOM 0 HG LEU A 50 25.852 -16.769 -19.225 1.00 71.02 H new ATOM 0 HD11 LEU A 50 26.623 -14.588 -18.380 1.00 62.45 H new ATOM 0 HD12 LEU A 50 25.440 -15.339 -17.283 1.00 62.45 H new ATOM 0 HD13 LEU A 50 27.173 -15.368 -16.878 1.00 62.45 H new ATOM 0 HD21 LEU A 50 28.135 -15.989 -19.734 1.00 40.31 H new ATOM 0 HD22 LEU A 50 28.739 -16.823 -18.283 1.00 40.31 H new ATOM 0 HD23 LEU A 50 28.053 -17.763 -19.629 1.00 40.31 H new ATOM 399 N PRO A 51 27.182 -20.381 -19.293 1.00 62.32 N ATOM 400 CA PRO A 51 27.821 -20.974 -20.460 1.00 21.31 C ATOM 401 C PRO A 51 26.854 -21.925 -21.154 1.00 73.15 C ATOM 402 O PRO A 51 26.969 -22.203 -22.348 1.00 70.23 O ATOM 403 CB PRO A 51 29.017 -21.754 -19.889 1.00 44.22 C ATOM 404 CG PRO A 51 29.085 -21.421 -18.432 1.00 61.01 C ATOM 405 CD PRO A 51 27.748 -20.855 -18.040 1.00 74.54 C ATOM 0 HA PRO A 51 28.125 -20.230 -21.196 1.00 21.31 H new ATOM 0 HB2 PRO A 51 28.887 -22.826 -20.036 1.00 44.22 H new ATOM 0 HB3 PRO A 51 29.941 -21.473 -20.395 1.00 44.22 H new ATOM 0 HG2 PRO A 51 29.313 -22.311 -17.845 1.00 61.01 H new ATOM 0 HG3 PRO A 51 29.879 -20.700 -18.239 1.00 61.01 H new ATOM 0 HD2 PRO A 51 27.115 -21.612 -17.578 1.00 74.54 H new ATOM 0 HD3 PRO A 51 27.854 -20.045 -17.319 1.00 74.54 H new ATOM 413 N VAL A 52 25.891 -22.414 -20.373 1.00 4.54 N ATOM 414 CA VAL A 52 24.873 -23.332 -20.858 1.00 35.03 C ATOM 415 C VAL A 52 23.592 -22.592 -21.223 1.00 30.24 C ATOM 416 O VAL A 52 22.701 -23.159 -21.849 1.00 63.20 O ATOM 417 CB VAL A 52 24.572 -24.409 -19.795 1.00 73.31 C ATOM 418 CG1 VAL A 52 23.333 -25.212 -20.148 1.00 42.33 C ATOM 419 CG2 VAL A 52 25.773 -25.325 -19.611 1.00 1.40 C ATOM 0 H VAL A 52 25.799 -22.181 -19.384 1.00 4.54 H new ATOM 0 HA VAL A 52 25.258 -23.813 -21.757 1.00 35.03 H new ATOM 0 HB VAL A 52 24.374 -23.899 -18.852 1.00 73.31 H new ATOM 0 HG11 VAL A 52 23.153 -25.961 -19.377 1.00 42.33 H new ATOM 0 HG12 VAL A 52 22.474 -24.545 -20.214 1.00 42.33 H new ATOM 0 HG13 VAL A 52 23.482 -25.708 -21.107 1.00 42.33 H new ATOM 0 HG21 VAL A 52 25.544 -26.079 -18.858 1.00 1.40 H new ATOM 0 HG22 VAL A 52 26.005 -25.815 -20.556 1.00 1.40 H new ATOM 0 HG23 VAL A 52 26.632 -24.738 -19.287 1.00 1.40 H new ATOM 429 N VAL A 53 23.523 -21.322 -20.848 1.00 41.42 N ATOM 430 CA VAL A 53 22.378 -20.483 -21.158 1.00 72.52 C ATOM 431 C VAL A 53 22.756 -19.536 -22.287 1.00 22.31 C ATOM 432 O VAL A 53 21.918 -19.124 -23.089 1.00 25.43 O ATOM 433 CB VAL A 53 21.922 -19.668 -19.930 1.00 14.11 C ATOM 434 CG1 VAL A 53 20.732 -18.785 -20.278 1.00 31.20 C ATOM 435 CG2 VAL A 53 21.585 -20.595 -18.770 1.00 54.41 C ATOM 0 H VAL A 53 24.257 -20.848 -20.322 1.00 41.42 H new ATOM 0 HA VAL A 53 21.549 -21.124 -21.457 1.00 72.52 H new ATOM 0 HB VAL A 53 22.744 -19.021 -19.625 1.00 14.11 H new ATOM 0 HG11 VAL A 53 20.428 -18.220 -19.397 1.00 31.20 H new ATOM 0 HG12 VAL A 53 21.012 -18.094 -21.073 1.00 31.20 H new ATOM 0 HG13 VAL A 53 19.903 -19.408 -20.613 1.00 31.20 H new ATOM 0 HG21 VAL A 53 21.265 -20.003 -17.912 1.00 54.41 H new ATOM 0 HG22 VAL A 53 20.781 -21.270 -19.065 1.00 54.41 H new ATOM 0 HG23 VAL A 53 22.467 -21.177 -18.501 1.00 54.41 H new ATOM 445 N VAL A 54 24.046 -19.217 -22.343 1.00 4.42 N ATOM 446 CA VAL A 54 24.587 -18.347 -23.366 1.00 75.11 C ATOM 447 C VAL A 54 24.855 -19.124 -24.635 1.00 5.40 C ATOM 448 O VAL A 54 24.577 -18.653 -25.728 1.00 30.31 O ATOM 449 CB VAL A 54 25.900 -17.684 -22.907 1.00 50.14 C ATOM 450 CG1 VAL A 54 25.710 -16.942 -21.589 1.00 12.30 C ATOM 451 CG2 VAL A 54 27.016 -18.715 -22.781 1.00 65.31 C ATOM 0 H VAL A 54 24.740 -19.558 -21.678 1.00 4.42 H new ATOM 0 HA VAL A 54 23.844 -17.572 -23.553 1.00 75.11 H new ATOM 0 HB VAL A 54 26.187 -16.958 -23.668 1.00 50.14 H new ATOM 0 HG11 VAL A 54 26.653 -16.484 -21.290 1.00 12.30 H new ATOM 0 HG12 VAL A 54 24.954 -16.167 -21.714 1.00 12.30 H new ATOM 0 HG13 VAL A 54 25.387 -17.644 -20.820 1.00 12.30 H new ATOM 0 HG21 VAL A 54 27.932 -18.222 -22.456 1.00 65.31 H new ATOM 0 HG22 VAL A 54 26.732 -19.471 -22.049 1.00 65.31 H new ATOM 0 HG23 VAL A 54 27.183 -19.190 -23.748 1.00 65.31 H new ATOM 461 N GLY A 55 25.395 -20.321 -24.476 1.00 15.33 N ATOM 462 CA GLY A 55 25.692 -21.154 -25.623 1.00 73.11 C ATOM 463 C GLY A 55 24.543 -21.209 -26.599 1.00 3.33 C ATOM 464 O GLY A 55 24.746 -21.380 -27.795 1.00 35.10 O ATOM 0 H GLY A 55 25.633 -20.732 -23.573 1.00 15.33 H new ATOM 0 HA2 GLY A 55 26.578 -20.771 -26.129 1.00 73.11 H new ATOM 0 HA3 GLY A 55 25.929 -22.163 -25.286 1.00 73.11 H new ATOM 468 N ILE A 56 23.330 -21.047 -26.090 1.00 64.34 N ATOM 469 CA ILE A 56 22.147 -21.063 -26.950 1.00 52.53 C ATOM 470 C ILE A 56 21.887 -19.669 -27.493 1.00 21.24 C ATOM 471 O ILE A 56 21.433 -19.500 -28.624 1.00 15.32 O ATOM 472 CB ILE A 56 20.887 -21.557 -26.210 1.00 55.44 C ATOM 473 CG1 ILE A 56 21.258 -22.568 -25.129 1.00 0.52 C ATOM 474 CG2 ILE A 56 19.896 -22.163 -27.193 1.00 55.02 C ATOM 475 CD1 ILE A 56 21.420 -21.939 -23.767 1.00 2.42 C ATOM 0 H ILE A 56 23.136 -20.904 -25.099 1.00 64.34 H new ATOM 0 HA ILE A 56 22.352 -21.760 -27.763 1.00 52.53 H new ATOM 0 HB ILE A 56 20.415 -20.701 -25.728 1.00 55.44 H new ATOM 0 HG12 ILE A 56 20.488 -23.338 -25.079 1.00 0.52 H new ATOM 0 HG13 ILE A 56 22.187 -23.065 -25.407 1.00 0.52 H new ATOM 0 HG21 ILE A 56 19.013 -22.506 -26.654 1.00 55.02 H new ATOM 0 HG22 ILE A 56 19.604 -21.411 -27.926 1.00 55.02 H new ATOM 0 HG23 ILE A 56 20.360 -23.007 -27.704 1.00 55.02 H new ATOM 0 HD11 ILE A 56 21.684 -22.707 -23.040 1.00 2.42 H new ATOM 0 HD12 ILE A 56 22.210 -21.189 -23.804 1.00 2.42 H new ATOM 0 HD13 ILE A 56 20.484 -21.466 -23.471 1.00 2.42 H new ATOM 487 N LYS A 57 22.206 -18.668 -26.683 1.00 13.43 N ATOM 488 CA LYS A 57 22.042 -17.283 -27.084 1.00 33.04 C ATOM 489 C LYS A 57 23.240 -16.851 -27.925 1.00 45.45 C ATOM 490 O LYS A 57 23.165 -15.902 -28.704 1.00 11.51 O ATOM 491 CB LYS A 57 21.901 -16.381 -25.854 1.00 20.52 C ATOM 492 CG LYS A 57 20.524 -15.749 -25.718 1.00 41.12 C ATOM 493 CD LYS A 57 20.589 -14.235 -25.838 1.00 24.50 C ATOM 494 CE LYS A 57 21.348 -13.617 -24.675 1.00 23.41 C ATOM 495 NZ LYS A 57 20.736 -12.334 -24.230 1.00 45.33 N ATOM 0 H LYS A 57 22.581 -18.793 -25.743 1.00 13.43 H new ATOM 0 HA LYS A 57 21.134 -17.190 -27.679 1.00 33.04 H new ATOM 0 HB2 LYS A 57 22.114 -16.965 -24.959 1.00 20.52 H new ATOM 0 HB3 LYS A 57 22.651 -15.591 -25.905 1.00 20.52 H new ATOM 0 HG2 LYS A 57 19.863 -16.147 -26.487 1.00 41.12 H new ATOM 0 HG3 LYS A 57 20.092 -16.020 -24.755 1.00 41.12 H new ATOM 0 HD2 LYS A 57 21.074 -13.964 -26.776 1.00 24.50 H new ATOM 0 HD3 LYS A 57 19.579 -13.828 -25.872 1.00 24.50 H new ATOM 0 HE2 LYS A 57 21.367 -14.318 -23.841 1.00 23.41 H new ATOM 0 HE3 LYS A 57 22.383 -13.443 -24.969 1.00 23.41 H new ATOM 0 HZ1 LYS A 57 21.283 -11.945 -23.436 1.00 45.33 H new ATOM 0 HZ2 LYS A 57 20.740 -11.656 -25.018 1.00 45.33 H new ATOM 0 HZ3 LYS A 57 19.756 -12.504 -23.925 1.00 45.33 H new ATOM 509 N ALA A 58 24.352 -17.563 -27.763 1.00 42.12 N ATOM 510 CA ALA A 58 25.562 -17.260 -28.509 1.00 20.01 C ATOM 511 C ALA A 58 25.579 -17.986 -29.852 1.00 42.53 C ATOM 512 O ALA A 58 26.290 -17.587 -30.774 1.00 32.53 O ATOM 513 CB ALA A 58 26.789 -17.618 -27.682 1.00 44.15 C ATOM 0 H ALA A 58 24.437 -18.352 -27.122 1.00 42.12 H new ATOM 0 HA ALA A 58 25.580 -16.190 -28.715 1.00 20.01 H new ATOM 0 HB1 ALA A 58 27.690 -17.387 -28.250 1.00 44.15 H new ATOM 0 HB2 ALA A 58 26.785 -17.041 -26.757 1.00 44.15 H new ATOM 0 HB3 ALA A 58 26.771 -18.682 -27.446 1.00 44.15 H new ATOM 519 N ILE A 59 24.800 -19.059 -29.950 1.00 51.24 N ATOM 520 CA ILE A 59 24.735 -19.850 -31.174 1.00 42.21 C ATOM 521 C ILE A 59 23.636 -19.371 -32.105 1.00 45.02 C ATOM 522 O ILE A 59 23.853 -19.190 -33.303 1.00 62.10 O ATOM 523 CB ILE A 59 24.517 -21.339 -30.858 1.00 31.23 C ATOM 524 CG1 ILE A 59 23.241 -21.552 -30.043 1.00 41.42 C ATOM 525 CG2 ILE A 59 25.715 -21.871 -30.112 1.00 44.02 C ATOM 526 CD1 ILE A 59 22.024 -21.858 -30.889 1.00 2.41 C ATOM 0 H ILE A 59 24.205 -19.401 -29.196 1.00 51.24 H new ATOM 0 HA ILE A 59 25.693 -19.721 -31.677 1.00 42.21 H new ATOM 0 HB ILE A 59 24.401 -21.882 -31.796 1.00 31.23 H new ATOM 0 HG12 ILE A 59 23.401 -22.371 -29.342 1.00 41.42 H new ATOM 0 HG13 ILE A 59 23.045 -20.658 -29.450 1.00 41.42 H new ATOM 0 HG21 ILE A 59 25.564 -22.927 -29.886 1.00 44.02 H new ATOM 0 HG22 ILE A 59 26.607 -21.756 -30.727 1.00 44.02 H new ATOM 0 HG23 ILE A 59 25.841 -21.316 -29.183 1.00 44.02 H new ATOM 0 HD11 ILE A 59 21.157 -21.997 -30.243 1.00 2.41 H new ATOM 0 HD12 ILE A 59 21.838 -21.029 -31.572 1.00 2.41 H new ATOM 0 HD13 ILE A 59 22.199 -22.769 -31.462 1.00 2.41 H new ATOM 538 N GLY A 60 22.463 -19.163 -31.544 1.00 25.31 N ATOM 539 CA GLY A 60 21.340 -18.699 -32.325 1.00 20.14 C ATOM 540 C GLY A 60 20.668 -17.517 -31.675 1.00 34.11 C ATOM 541 O GLY A 60 19.639 -17.036 -32.151 1.00 13.22 O ATOM 0 H GLY A 60 22.265 -19.308 -30.554 1.00 25.31 H new ATOM 0 HA2 GLY A 60 21.679 -18.423 -33.324 1.00 20.14 H new ATOM 0 HA3 GLY A 60 20.620 -19.508 -32.445 1.00 20.14 H new ATOM 545 N LYS A 61 21.252 -17.045 -30.575 1.00 1.45 N ATOM 546 CA LYS A 61 20.692 -15.902 -29.854 1.00 14.01 C ATOM 547 C LYS A 61 19.207 -16.107 -29.565 1.00 65.40 C ATOM 548 O LYS A 61 18.549 -15.136 -29.135 1.00 42.44 O ATOM 549 CB LYS A 61 20.891 -14.617 -30.660 1.00 51.43 C ATOM 550 CG LYS A 61 21.103 -13.384 -29.797 1.00 74.14 C ATOM 551 CD LYS A 61 20.420 -12.162 -30.391 1.00 71.12 C ATOM 552 CE LYS A 61 21.299 -10.927 -30.289 1.00 2.33 C ATOM 553 NZ LYS A 61 22.625 -11.135 -30.937 1.00 61.54 N ATOM 554 OXT LYS A 61 18.715 -17.236 -29.771 1.00 36.71 O ATOM 0 H LYS A 61 22.103 -17.431 -30.167 1.00 1.45 H new ATOM 0 HA LYS A 61 21.218 -15.815 -28.903 1.00 14.01 H new ATOM 0 HB2 LYS A 61 21.750 -14.741 -31.319 1.00 51.43 H new ATOM 0 HB3 LYS A 61 20.021 -14.459 -31.297 1.00 51.43 H new ATOM 0 HG2 LYS A 61 20.714 -13.569 -28.796 1.00 74.14 H new ATOM 0 HG3 LYS A 61 22.171 -13.191 -29.693 1.00 74.14 H new ATOM 0 HD2 LYS A 61 20.178 -12.352 -31.437 1.00 71.12 H new ATOM 0 HD3 LYS A 61 19.478 -11.983 -29.873 1.00 71.12 H new ATOM 0 HE2 LYS A 61 20.794 -10.082 -30.758 1.00 2.33 H new ATOM 0 HE3 LYS A 61 21.444 -10.670 -29.240 1.00 2.33 H new ATOM 0 HZ1 LYS A 61 22.963 -10.235 -31.333 1.00 61.54 H new ATOM 0 HZ2 LYS A 61 23.306 -11.480 -30.231 1.00 61.54 H new ATOM 0 HZ3 LYS A 61 22.532 -11.836 -31.700 1.00 61.54 H new TER 568 LYS A 61