USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 418 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 SER N :NH3+ -108:sc= 0.0164 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.16) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0.292 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.046) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -6.04! C(o=-6!,f=-18!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 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 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.766 -1.399 0.014 1.00 73.52 N ATOM 2 CA SER A 1 2.715 -1.184 -1.072 1.00 71.51 C ATOM 3 C SER A 1 3.208 -2.515 -1.634 1.00 0.51 C ATOM 4 O SER A 1 3.420 -3.474 -0.892 1.00 54.45 O ATOM 5 CB SER A 1 3.902 -0.353 -0.583 1.00 2.12 C ATOM 6 OG SER A 1 4.903 -1.179 -0.013 1.00 11.21 O ATOM 0 H1 SER A 1 0.808 -1.152 -0.308 1.00 73.52 H new ATOM 0 H2 SER A 1 1.787 -2.398 0.301 1.00 73.52 H new ATOM 0 H3 SER A 1 2.024 -0.801 0.824 1.00 73.52 H new ATOM 0 HA SER A 1 2.203 -0.641 -1.867 1.00 71.51 H new ATOM 0 HB2 SER A 1 4.322 0.211 -1.415 1.00 2.12 H new ATOM 0 HB3 SER A 1 3.562 0.373 0.155 1.00 2.12 H new ATOM 0 HG SER A 1 5.652 -0.624 0.290 1.00 11.21 H new ATOM 12 N ALA A 2 3.389 -2.563 -2.950 1.00 33.34 N ATOM 13 CA ALA A 2 3.858 -3.774 -3.612 1.00 4.12 C ATOM 14 C ALA A 2 5.373 -3.751 -3.787 1.00 20.30 C ATOM 15 O ALA A 2 5.931 -2.802 -4.338 1.00 11.03 O ATOM 16 CB ALA A 2 3.172 -3.939 -4.960 1.00 13.45 C ATOM 0 H ALA A 2 3.218 -1.778 -3.578 1.00 33.34 H new ATOM 0 HA ALA A 2 3.603 -4.625 -2.981 1.00 4.12 H new ATOM 0 HB1 ALA A 2 3.532 -4.847 -5.443 1.00 13.45 H new ATOM 0 HB2 ALA A 2 2.094 -4.009 -4.814 1.00 13.45 H new ATOM 0 HB3 ALA A 2 3.398 -3.079 -5.591 1.00 13.45 H new ATOM 22 N LYS A 3 6.034 -4.803 -3.314 1.00 43.55 N ATOM 23 CA LYS A 3 7.485 -4.905 -3.419 1.00 0.41 C ATOM 24 C LYS A 3 7.885 -5.805 -4.583 1.00 73.32 C ATOM 25 O LYS A 3 7.029 -6.334 -5.293 1.00 62.41 O ATOM 26 CB LYS A 3 8.074 -5.447 -2.115 1.00 32.52 C ATOM 27 CG LYS A 3 7.773 -4.581 -0.904 1.00 54.03 C ATOM 28 CD LYS A 3 8.834 -4.738 0.172 1.00 41.54 C ATOM 29 CE LYS A 3 10.138 -4.066 -0.230 1.00 43.22 C ATOM 30 NZ LYS A 3 11.004 -3.786 0.949 1.00 64.55 N ATOM 0 H LYS A 3 5.588 -5.597 -2.854 1.00 43.55 H new ATOM 0 HA LYS A 3 7.882 -3.907 -3.603 1.00 0.41 H new ATOM 0 HB2 LYS A 3 7.684 -6.450 -1.940 1.00 32.52 H new ATOM 0 HB3 LYS A 3 9.154 -5.540 -2.225 1.00 32.52 H new ATOM 0 HG2 LYS A 3 7.714 -3.536 -1.209 1.00 54.03 H new ATOM 0 HG3 LYS A 3 6.798 -4.850 -0.497 1.00 54.03 H new ATOM 0 HD2 LYS A 3 8.474 -4.306 1.106 1.00 41.54 H new ATOM 0 HD3 LYS A 3 9.011 -5.797 0.358 1.00 41.54 H new ATOM 0 HE2 LYS A 3 10.675 -4.705 -0.931 1.00 43.22 H new ATOM 0 HE3 LYS A 3 9.921 -3.133 -0.751 1.00 43.22 H new ATOM 0 HZ1 LYS A 3 11.883 -3.328 0.633 1.00 64.55 H new ATOM 0 HZ2 LYS A 3 10.502 -3.156 1.607 1.00 64.55 H new ATOM 0 HZ3 LYS A 3 11.233 -4.678 1.431 1.00 64.55 H new ATOM 44 N ASP A 4 9.188 -5.976 -4.772 1.00 64.25 N ATOM 45 CA ASP A 4 9.701 -6.815 -5.849 1.00 61.43 C ATOM 46 C ASP A 4 9.337 -8.279 -5.618 1.00 42.32 C ATOM 47 O ASP A 4 9.686 -8.861 -4.592 1.00 72.12 O ATOM 48 CB ASP A 4 11.219 -6.666 -5.962 1.00 61.22 C ATOM 49 CG ASP A 4 11.721 -6.907 -7.372 1.00 42.33 C ATOM 50 OD1 ASP A 4 10.881 -7.073 -8.281 1.00 12.44 O ATOM 51 OD2 ASP A 4 12.955 -6.930 -7.567 1.00 53.14 O ATOM 0 H ASP A 4 9.909 -5.545 -4.193 1.00 64.25 H new ATOM 0 HA ASP A 4 9.241 -6.487 -6.781 1.00 61.43 H new ATOM 0 HB2 ASP A 4 11.508 -5.664 -5.643 1.00 61.22 H new ATOM 0 HB3 ASP A 4 11.702 -7.368 -5.283 1.00 61.22 H new ATOM 56 N GLY A 5 8.632 -8.867 -6.580 1.00 22.11 N ATOM 57 CA GLY A 5 8.231 -10.257 -6.461 1.00 44.14 C ATOM 58 C GLY A 5 6.808 -10.409 -5.963 1.00 70.30 C ATOM 59 O GLY A 5 6.421 -11.477 -5.487 1.00 54.34 O ATOM 0 H GLY A 5 8.332 -8.406 -7.439 1.00 22.11 H new ATOM 0 HA2 GLY A 5 8.327 -10.744 -7.431 1.00 44.14 H new ATOM 0 HA3 GLY A 5 8.908 -10.770 -5.778 1.00 44.14 H new ATOM 63 N ASP A 6 6.028 -9.340 -6.070 1.00 53.52 N ATOM 64 CA ASP A 6 4.639 -9.359 -5.626 1.00 11.40 C ATOM 65 C ASP A 6 3.703 -9.701 -6.781 1.00 44.03 C ATOM 66 O ASP A 6 3.760 -9.083 -7.844 1.00 45.34 O ATOM 67 CB ASP A 6 4.254 -8.005 -5.026 1.00 64.21 C ATOM 68 CG ASP A 6 4.820 -7.808 -3.633 1.00 54.22 C ATOM 69 OD1 ASP A 6 5.947 -8.281 -3.378 1.00 53.53 O ATOM 70 OD2 ASP A 6 4.134 -7.181 -2.798 1.00 23.22 O ATOM 0 H ASP A 6 6.334 -8.449 -6.460 1.00 53.52 H new ATOM 0 HA ASP A 6 4.539 -10.129 -4.861 1.00 11.40 H new ATOM 0 HB2 ASP A 6 4.612 -7.207 -5.677 1.00 64.21 H new ATOM 0 HB3 ASP A 6 3.168 -7.923 -4.989 1.00 64.21 H new ATOM 75 N VAL A 7 2.843 -10.691 -6.566 1.00 60.10 N ATOM 76 CA VAL A 7 1.895 -11.116 -7.589 1.00 21.30 C ATOM 77 C VAL A 7 0.488 -11.241 -7.016 1.00 53.23 C ATOM 78 O VAL A 7 0.279 -11.071 -5.816 1.00 12.23 O ATOM 79 CB VAL A 7 2.306 -12.465 -8.210 1.00 2.35 C ATOM 80 CG1 VAL A 7 3.665 -12.350 -8.883 1.00 61.52 C ATOM 81 CG2 VAL A 7 2.317 -13.557 -7.151 1.00 0.24 C ATOM 0 H VAL A 7 2.783 -11.214 -5.692 1.00 60.10 H new ATOM 0 HA VAL A 7 1.902 -10.350 -8.365 1.00 21.30 H new ATOM 0 HB VAL A 7 1.572 -12.735 -8.970 1.00 2.35 H new ATOM 0 HG11 VAL A 7 3.939 -13.312 -9.316 1.00 61.52 H new ATOM 0 HG12 VAL A 7 3.619 -11.598 -9.670 1.00 61.52 H new ATOM 0 HG13 VAL A 7 4.413 -12.058 -8.146 1.00 61.52 H new ATOM 0 HG21 VAL A 7 2.609 -14.503 -7.607 1.00 0.24 H new ATOM 0 HG22 VAL A 7 3.028 -13.297 -6.367 1.00 0.24 H new ATOM 0 HG23 VAL A 7 1.321 -13.655 -6.719 1.00 0.24 H new ATOM 91 N GLU A 8 -0.474 -11.539 -7.884 1.00 72.21 N ATOM 92 CA GLU A 8 -1.863 -11.686 -7.464 1.00 23.23 C ATOM 93 C GLU A 8 -2.375 -13.093 -7.760 1.00 51.45 C ATOM 94 O GLU A 8 -2.032 -13.688 -8.781 1.00 43.40 O ATOM 95 CB GLU A 8 -2.744 -10.652 -8.167 1.00 1.53 C ATOM 96 CG GLU A 8 -4.042 -10.359 -7.433 1.00 72.05 C ATOM 97 CD GLU A 8 -4.889 -9.318 -8.140 1.00 33.24 C ATOM 98 OE1 GLU A 8 -5.543 -9.669 -9.144 1.00 50.34 O ATOM 99 OE2 GLU A 8 -4.898 -8.154 -7.688 1.00 73.12 O ATOM 0 H GLU A 8 -0.317 -11.683 -8.881 1.00 72.21 H new ATOM 0 HA GLU A 8 -1.910 -11.520 -6.388 1.00 23.23 H new ATOM 0 HB2 GLU A 8 -2.182 -9.725 -8.279 1.00 1.53 H new ATOM 0 HB3 GLU A 8 -2.976 -11.007 -9.171 1.00 1.53 H new ATOM 0 HG2 GLU A 8 -4.615 -11.281 -7.333 1.00 72.05 H new ATOM 0 HG3 GLU A 8 -3.815 -10.014 -6.424 1.00 72.05 H new ATOM 106 N GLY A 9 -3.199 -13.618 -6.859 1.00 74.43 N ATOM 107 CA GLY A 9 -3.746 -14.951 -7.042 1.00 5.54 C ATOM 108 C GLY A 9 -3.592 -15.814 -5.805 1.00 74.13 C ATOM 109 O GLY A 9 -3.308 -15.325 -4.712 1.00 22.22 O ATOM 0 H GLY A 9 -3.498 -13.145 -6.006 1.00 74.43 H new ATOM 0 HA2 GLY A 9 -4.802 -14.875 -7.299 1.00 5.54 H new ATOM 0 HA3 GLY A 9 -3.247 -15.433 -7.883 1.00 5.54 H new ATOM 113 N PRO A 10 -3.785 -17.131 -5.971 1.00 72.11 N ATOM 114 CA PRO A 10 -3.673 -18.092 -4.870 1.00 72.30 C ATOM 115 C PRO A 10 -2.235 -18.263 -4.394 1.00 63.50 C ATOM 116 O PRO A 10 -1.299 -18.239 -5.193 1.00 54.24 O ATOM 117 CB PRO A 10 -4.192 -19.396 -5.483 1.00 13.54 C ATOM 118 CG PRO A 10 -3.956 -19.247 -6.946 1.00 0.30 C ATOM 119 CD PRO A 10 -4.127 -17.783 -7.246 1.00 61.34 C ATOM 0 HA PRO A 10 -4.227 -17.769 -3.989 1.00 72.30 H new ATOM 0 HB2 PRO A 10 -3.662 -20.260 -5.083 1.00 13.54 H new ATOM 0 HB3 PRO A 10 -5.250 -19.542 -5.266 1.00 13.54 H new ATOM 0 HG2 PRO A 10 -2.956 -19.587 -7.217 1.00 0.30 H new ATOM 0 HG3 PRO A 10 -4.663 -19.848 -7.519 1.00 0.30 H new ATOM 0 HD2 PRO A 10 -3.469 -17.459 -8.052 1.00 61.34 H new ATOM 0 HD3 PRO A 10 -5.147 -17.552 -7.554 1.00 61.34 H new ATOM 127 N ALA A 11 -2.065 -18.437 -3.087 1.00 73.44 N ATOM 128 CA ALA A 11 -0.741 -18.615 -2.506 1.00 23.13 C ATOM 129 C ALA A 11 -0.072 -19.877 -3.039 1.00 62.51 C ATOM 130 O ALA A 11 -0.613 -20.976 -2.920 1.00 41.13 O ATOM 131 CB ALA A 11 -0.833 -18.666 -0.988 1.00 12.51 C ATOM 0 H ALA A 11 -2.829 -18.458 -2.411 1.00 73.44 H new ATOM 0 HA ALA A 11 -0.128 -17.761 -2.794 1.00 23.13 H new ATOM 0 HB1 ALA A 11 0.164 -18.799 -0.567 1.00 12.51 H new ATOM 0 HB2 ALA A 11 -1.261 -17.735 -0.618 1.00 12.51 H new ATOM 0 HB3 ALA A 11 -1.467 -19.501 -0.690 1.00 12.51 H new ATOM 137 N GLY A 12 1.109 -19.713 -3.628 1.00 52.42 N ATOM 138 CA GLY A 12 1.832 -20.848 -4.172 1.00 15.43 C ATOM 139 C GLY A 12 1.748 -20.918 -5.684 1.00 30.14 C ATOM 140 O GLY A 12 2.044 -21.953 -6.282 1.00 3.13 O ATOM 0 H GLY A 12 1.578 -18.814 -3.738 1.00 52.42 H new ATOM 0 HA2 GLY A 12 2.878 -20.786 -3.872 1.00 15.43 H new ATOM 0 HA3 GLY A 12 1.432 -21.768 -3.746 1.00 15.43 H new ATOM 144 N CYS A 13 1.342 -19.816 -6.304 1.00 52.42 N ATOM 145 CA CYS A 13 1.218 -19.756 -7.756 1.00 34.15 C ATOM 146 C CYS A 13 2.591 -19.671 -8.416 1.00 34.10 C ATOM 147 O CYS A 13 3.619 -19.847 -7.762 1.00 12.31 O ATOM 148 CB CYS A 13 0.366 -18.553 -8.167 1.00 5.04 C ATOM 149 SG CYS A 13 1.197 -16.946 -7.950 1.00 71.12 S ATOM 0 H CYS A 13 1.093 -18.951 -5.824 1.00 52.42 H new ATOM 0 HA CYS A 13 0.729 -20.670 -8.092 1.00 34.15 H new ATOM 0 HB2 CYS A 13 0.080 -18.664 -9.213 1.00 5.04 H new ATOM 0 HB3 CYS A 13 -0.554 -18.556 -7.583 1.00 5.04 H new ATOM 154 N LYS A 14 2.599 -19.400 -9.717 1.00 25.32 N ATOM 155 CA LYS A 14 3.845 -19.290 -10.467 1.00 53.13 C ATOM 156 C LYS A 14 4.195 -17.828 -10.728 1.00 70.42 C ATOM 157 O LYS A 14 3.486 -17.129 -11.452 1.00 10.33 O ATOM 158 CB LYS A 14 3.733 -20.043 -11.795 1.00 35.33 C ATOM 159 CG LYS A 14 3.099 -21.417 -11.663 1.00 23.55 C ATOM 160 CD LYS A 14 3.842 -22.279 -10.656 1.00 25.42 C ATOM 161 CE LYS A 14 3.432 -23.740 -10.762 1.00 35.13 C ATOM 162 NZ LYS A 14 1.953 -23.905 -10.708 1.00 74.44 N ATOM 0 H LYS A 14 1.757 -19.253 -10.274 1.00 25.32 H new ATOM 0 HA LYS A 14 4.640 -19.735 -9.869 1.00 53.13 H new ATOM 0 HB2 LYS A 14 3.146 -19.446 -12.493 1.00 35.33 H new ATOM 0 HB3 LYS A 14 4.728 -20.151 -12.227 1.00 35.33 H new ATOM 0 HG2 LYS A 14 2.059 -21.311 -11.355 1.00 23.55 H new ATOM 0 HG3 LYS A 14 3.095 -21.912 -12.634 1.00 23.55 H new ATOM 0 HD2 LYS A 14 4.916 -22.189 -10.820 1.00 25.42 H new ATOM 0 HD3 LYS A 14 3.642 -21.916 -9.648 1.00 25.42 H new ATOM 0 HE2 LYS A 14 3.810 -24.157 -11.695 1.00 35.13 H new ATOM 0 HE3 LYS A 14 3.891 -24.306 -9.951 1.00 35.13 H new ATOM 0 HZ1 LYS A 14 1.721 -24.908 -10.561 1.00 74.44 H new ATOM 0 HZ2 LYS A 14 1.569 -23.342 -9.922 1.00 74.44 H new ATOM 0 HZ3 LYS A 14 1.535 -23.580 -11.603 1.00 74.44 H new ATOM 176 N LYS A 15 5.294 -17.373 -10.135 1.00 74.35 N ATOM 177 CA LYS A 15 5.740 -15.996 -10.305 1.00 45.23 C ATOM 178 C LYS A 15 6.598 -15.852 -11.559 1.00 35.51 C ATOM 179 O LYS A 15 6.890 -16.837 -12.239 1.00 11.35 O ATOM 180 CB LYS A 15 6.533 -15.540 -9.078 1.00 51.00 C ATOM 181 CG LYS A 15 5.667 -15.278 -7.858 1.00 1.11 C ATOM 182 CD LYS A 15 6.452 -15.453 -6.569 1.00 23.01 C ATOM 183 CE LYS A 15 5.536 -15.458 -5.355 1.00 4.04 C ATOM 184 NZ LYS A 15 6.158 -16.153 -4.194 1.00 3.14 N ATOM 0 H LYS A 15 5.892 -17.938 -9.532 1.00 74.35 H new ATOM 0 HA LYS A 15 4.857 -15.366 -10.415 1.00 45.23 H new ATOM 0 HB2 LYS A 15 7.274 -16.301 -8.831 1.00 51.00 H new ATOM 0 HB3 LYS A 15 7.081 -14.631 -9.327 1.00 51.00 H new ATOM 0 HG2 LYS A 15 5.266 -14.266 -7.906 1.00 1.11 H new ATOM 0 HG3 LYS A 15 4.816 -15.959 -7.862 1.00 1.11 H new ATOM 0 HD2 LYS A 15 7.012 -16.387 -6.607 1.00 23.01 H new ATOM 0 HD3 LYS A 15 7.180 -14.648 -6.473 1.00 23.01 H new ATOM 0 HE2 LYS A 15 5.295 -14.432 -5.078 1.00 4.04 H new ATOM 0 HE3 LYS A 15 4.597 -15.948 -5.611 1.00 4.04 H new ATOM 0 HZ1 LYS A 15 5.503 -16.135 -3.387 1.00 3.14 H new ATOM 0 HZ2 LYS A 15 6.365 -17.140 -4.450 1.00 3.14 H new ATOM 0 HZ3 LYS A 15 7.042 -15.670 -3.933 1.00 3.14 H new ATOM 198 N TYR A 16 6.998 -14.622 -11.859 1.00 1.05 N ATOM 199 CA TYR A 16 7.821 -14.350 -13.031 1.00 62.30 C ATOM 200 C TYR A 16 9.049 -15.256 -13.057 1.00 13.14 C ATOM 201 O TYR A 16 9.678 -15.497 -12.026 1.00 74.21 O ATOM 202 CB TYR A 16 8.255 -12.884 -13.047 1.00 2.32 C ATOM 203 CG TYR A 16 9.175 -12.537 -14.196 1.00 0.34 C ATOM 204 CD1 TYR A 16 8.672 -12.320 -15.473 1.00 21.23 C ATOM 205 CD2 TYR A 16 10.547 -12.426 -14.004 1.00 73.44 C ATOM 206 CE1 TYR A 16 9.509 -12.004 -16.526 1.00 13.44 C ATOM 207 CE2 TYR A 16 11.391 -12.109 -15.051 1.00 15.20 C ATOM 208 CZ TYR A 16 10.867 -11.899 -16.310 1.00 11.44 C ATOM 209 OH TYR A 16 11.704 -11.583 -17.355 1.00 63.51 O ATOM 0 H TYR A 16 6.766 -13.797 -11.306 1.00 1.05 H new ATOM 0 HA TYR A 16 7.222 -14.554 -13.919 1.00 62.30 H new ATOM 0 HB2 TYR A 16 7.368 -12.252 -13.099 1.00 2.32 H new ATOM 0 HB3 TYR A 16 8.757 -12.652 -12.108 1.00 2.32 H new ATOM 0 HD1 TYR A 16 7.609 -12.400 -15.645 1.00 21.23 H new ATOM 0 HD2 TYR A 16 10.960 -12.590 -13.020 1.00 73.44 H new ATOM 0 HE1 TYR A 16 9.102 -11.840 -17.513 1.00 13.44 H new ATOM 0 HE2 TYR A 16 12.455 -12.026 -14.885 1.00 15.20 H new ATOM 0 HH TYR A 16 12.629 -11.547 -17.034 1.00 63.51 H new ATOM 219 N ASP A 17 9.384 -15.754 -14.242 1.00 13.32 N ATOM 220 CA ASP A 17 10.537 -16.632 -14.404 1.00 52.41 C ATOM 221 C ASP A 17 10.388 -17.887 -13.551 1.00 20.40 C ATOM 222 O ASP A 17 11.266 -18.216 -12.752 1.00 54.34 O ATOM 223 CB ASP A 17 11.823 -15.894 -14.028 1.00 60.25 C ATOM 224 CG ASP A 17 12.366 -15.059 -15.171 1.00 43.21 C ATOM 225 OD1 ASP A 17 11.754 -15.073 -16.259 1.00 62.32 O ATOM 226 OD2 ASP A 17 13.404 -14.391 -14.977 1.00 61.33 O ATOM 0 H ASP A 17 8.874 -15.565 -15.105 1.00 13.32 H new ATOM 0 HA ASP A 17 10.591 -16.931 -15.451 1.00 52.41 H new ATOM 0 HB2 ASP A 17 11.631 -15.250 -13.170 1.00 60.25 H new ATOM 0 HB3 ASP A 17 12.577 -16.618 -13.720 1.00 60.25 H new ATOM 231 N VAL A 18 9.271 -18.586 -13.725 1.00 15.12 N ATOM 232 CA VAL A 18 9.006 -19.806 -12.971 1.00 43.21 C ATOM 233 C VAL A 18 8.170 -20.785 -13.787 1.00 20.43 C ATOM 234 O VAL A 18 7.313 -20.381 -14.571 1.00 51.23 O ATOM 235 CB VAL A 18 8.277 -19.502 -11.649 1.00 51.21 C ATOM 236 CG1 VAL A 18 8.030 -20.784 -10.868 1.00 52.34 C ATOM 237 CG2 VAL A 18 9.073 -18.507 -10.818 1.00 43.02 C ATOM 0 H VAL A 18 8.534 -18.328 -14.382 1.00 15.12 H new ATOM 0 HA VAL A 18 9.973 -20.257 -12.748 1.00 43.21 H new ATOM 0 HB VAL A 18 7.311 -19.055 -11.882 1.00 51.21 H new ATOM 0 HG11 VAL A 18 7.514 -20.549 -9.937 1.00 52.34 H new ATOM 0 HG12 VAL A 18 7.416 -21.460 -11.463 1.00 52.34 H new ATOM 0 HG13 VAL A 18 8.983 -21.263 -10.644 1.00 52.34 H new ATOM 0 HG21 VAL A 18 8.543 -18.304 -9.887 1.00 43.02 H new ATOM 0 HG22 VAL A 18 10.055 -18.924 -10.593 1.00 43.02 H new ATOM 0 HG23 VAL A 18 9.193 -17.579 -11.377 1.00 43.02 H new ATOM 247 N GLU A 19 8.425 -22.076 -13.595 1.00 5.22 N ATOM 248 CA GLU A 19 7.695 -23.113 -14.314 1.00 25.54 C ATOM 249 C GLU A 19 6.207 -23.061 -13.981 1.00 61.21 C ATOM 250 O GLU A 19 5.813 -22.573 -12.922 1.00 34.35 O ATOM 251 CB GLU A 19 8.258 -24.495 -13.970 1.00 52.54 C ATOM 252 CG GLU A 19 8.103 -25.510 -15.090 1.00 21.10 C ATOM 253 CD GLU A 19 7.672 -26.874 -14.585 1.00 42.54 C ATOM 254 OE1 GLU A 19 6.786 -26.929 -13.708 1.00 33.11 O ATOM 255 OE2 GLU A 19 8.222 -27.885 -15.069 1.00 60.31 O ATOM 0 H GLU A 19 9.131 -22.428 -12.948 1.00 5.22 H new ATOM 0 HA GLU A 19 7.817 -22.934 -15.382 1.00 25.54 H new ATOM 0 HB2 GLU A 19 9.315 -24.397 -13.724 1.00 52.54 H new ATOM 0 HB3 GLU A 19 7.757 -24.871 -13.078 1.00 52.54 H new ATOM 0 HG2 GLU A 19 7.369 -25.144 -15.808 1.00 21.10 H new ATOM 0 HG3 GLU A 19 9.049 -25.606 -15.622 1.00 21.10 H new ATOM 262 N CYS A 20 5.385 -23.567 -14.894 1.00 52.03 N ATOM 263 CA CYS A 20 3.940 -23.578 -14.701 1.00 31.14 C ATOM 264 C CYS A 20 3.302 -24.757 -15.430 1.00 44.02 C ATOM 265 O CYS A 20 3.872 -25.294 -16.381 1.00 11.34 O ATOM 266 CB CYS A 20 3.328 -22.266 -15.196 1.00 31.21 C ATOM 267 SG CYS A 20 3.868 -21.778 -16.866 1.00 11.32 S ATOM 0 H CYS A 20 5.695 -23.975 -15.776 1.00 52.03 H new ATOM 0 HA CYS A 20 3.742 -23.684 -13.634 1.00 31.14 H new ATOM 0 HB2 CYS A 20 2.242 -22.359 -15.189 1.00 31.21 H new ATOM 0 HB3 CYS A 20 3.584 -21.471 -14.496 1.00 31.21 H new ATOM 272 N ASP A 21 2.118 -25.154 -14.979 1.00 13.01 N ATOM 273 CA ASP A 21 1.401 -26.268 -15.589 1.00 24.22 C ATOM 274 C ASP A 21 0.263 -25.765 -16.471 1.00 0.23 C ATOM 275 O ASP A 21 -0.357 -24.743 -16.178 1.00 11.34 O ATOM 276 CB ASP A 21 0.852 -27.201 -14.509 1.00 31.52 C ATOM 277 CG ASP A 21 0.189 -26.446 -13.374 1.00 31.34 C ATOM 278 OD1 ASP A 21 -0.673 -25.588 -13.656 1.00 71.31 O ATOM 279 OD2 ASP A 21 0.533 -26.713 -12.203 1.00 13.43 O ATOM 0 H ASP A 21 1.634 -24.721 -14.193 1.00 13.01 H new ATOM 0 HA ASP A 21 2.103 -26.821 -16.214 1.00 24.22 H new ATOM 0 HB2 ASP A 21 0.131 -27.885 -14.956 1.00 31.52 H new ATOM 0 HB3 ASP A 21 1.664 -27.809 -14.111 1.00 31.52 H new ATOM 284 N SER A 22 -0.005 -26.489 -17.553 1.00 13.04 N ATOM 285 CA SER A 22 -1.066 -26.113 -18.480 1.00 61.22 C ATOM 286 C SER A 22 -0.809 -24.728 -19.067 1.00 32.43 C ATOM 287 O SER A 22 -1.732 -24.054 -19.523 1.00 22.24 O ATOM 288 CB SER A 22 -2.423 -26.137 -17.773 1.00 44.25 C ATOM 289 OG SER A 22 -2.713 -27.429 -17.271 1.00 32.44 O ATOM 0 H SER A 22 0.498 -27.339 -17.809 1.00 13.04 H new ATOM 0 HA SER A 22 -1.077 -26.837 -19.295 1.00 61.22 H new ATOM 0 HB2 SER A 22 -2.423 -25.417 -16.955 1.00 44.25 H new ATOM 0 HB3 SER A 22 -3.204 -25.830 -18.468 1.00 44.25 H new ATOM 0 HG SER A 22 -3.584 -27.418 -16.822 1.00 32.44 H new ATOM 295 N GLY A 23 0.453 -24.310 -19.051 1.00 31.32 N ATOM 296 CA GLY A 23 0.810 -23.008 -19.583 1.00 71.31 C ATOM 297 C GLY A 23 0.035 -21.882 -18.928 1.00 5.11 C ATOM 298 O GLY A 23 -0.124 -20.810 -19.510 1.00 42.31 O ATOM 0 H GLY A 23 1.234 -24.850 -18.679 1.00 31.32 H new ATOM 0 HA2 GLY A 23 1.878 -22.841 -19.441 1.00 71.31 H new ATOM 0 HA3 GLY A 23 0.626 -22.995 -20.657 1.00 71.31 H new ATOM 302 N GLU A 24 -0.448 -22.126 -17.714 1.00 74.30 N ATOM 303 CA GLU A 24 -1.213 -21.124 -16.981 1.00 42.21 C ATOM 304 C GLU A 24 -0.321 -20.371 -15.998 1.00 22.10 C ATOM 305 O GLU A 24 0.382 -20.978 -15.190 1.00 24.33 O ATOM 306 CB GLU A 24 -2.374 -21.782 -16.233 1.00 25.25 C ATOM 307 CG GLU A 24 -3.337 -20.787 -15.607 1.00 24.32 C ATOM 308 CD GLU A 24 -4.580 -21.451 -15.048 1.00 71.42 C ATOM 309 OE1 GLU A 24 -4.454 -22.216 -14.068 1.00 55.53 O ATOM 310 OE2 GLU A 24 -5.678 -21.208 -15.590 1.00 51.55 O ATOM 0 H GLU A 24 -0.323 -23.008 -17.217 1.00 74.30 H new ATOM 0 HA GLU A 24 -1.613 -20.411 -17.702 1.00 42.21 H new ATOM 0 HB2 GLU A 24 -2.924 -22.422 -16.923 1.00 25.25 H new ATOM 0 HB3 GLU A 24 -1.973 -22.427 -15.452 1.00 25.25 H new ATOM 0 HG2 GLU A 24 -2.828 -20.247 -14.809 1.00 24.32 H new ATOM 0 HG3 GLU A 24 -3.629 -20.050 -16.355 1.00 24.32 H new ATOM 317 N CYS A 25 -0.355 -19.045 -16.074 1.00 4.15 N ATOM 318 CA CYS A 25 0.450 -18.208 -15.192 1.00 42.54 C ATOM 319 C CYS A 25 -0.420 -17.542 -14.130 1.00 21.53 C ATOM 320 O CYS A 25 -1.648 -17.590 -14.199 1.00 14.43 O ATOM 321 CB CYS A 25 1.189 -17.141 -16.003 1.00 3.11 C ATOM 322 SG CYS A 25 2.922 -17.560 -16.379 1.00 33.33 S ATOM 0 H CYS A 25 -0.931 -18.527 -16.737 1.00 4.15 H new ATOM 0 HA CYS A 25 1.179 -18.846 -14.692 1.00 42.54 H new ATOM 0 HB2 CYS A 25 0.655 -16.977 -16.939 1.00 3.11 H new ATOM 0 HB3 CYS A 25 1.165 -16.200 -15.453 1.00 3.11 H new ATOM 327 N CYS A 26 0.226 -16.923 -13.147 1.00 53.14 N ATOM 328 CA CYS A 26 -0.487 -16.248 -12.069 1.00 72.05 C ATOM 329 C CYS A 26 -1.441 -15.194 -12.624 1.00 73.35 C ATOM 330 O CYS A 26 -1.486 -14.959 -13.832 1.00 14.45 O ATOM 331 CB CYS A 26 0.504 -15.596 -11.104 1.00 4.01 C ATOM 332 SG CYS A 26 0.109 -15.855 -9.345 1.00 21.43 S ATOM 0 H CYS A 26 1.242 -16.875 -13.075 1.00 53.14 H new ATOM 0 HA CYS A 26 -1.071 -16.994 -11.531 1.00 72.05 H new ATOM 0 HB2 CYS A 26 1.501 -15.989 -11.303 1.00 4.01 H new ATOM 0 HB3 CYS A 26 0.538 -14.525 -11.304 1.00 4.01 H new ATOM 337 N GLN A 27 -2.201 -14.565 -11.734 1.00 51.53 N ATOM 338 CA GLN A 27 -3.154 -13.537 -12.135 1.00 52.53 C ATOM 339 C GLN A 27 -2.432 -12.287 -12.629 1.00 21.23 C ATOM 340 O GLN A 27 -2.556 -11.904 -13.792 1.00 50.31 O ATOM 341 CB GLN A 27 -4.074 -13.180 -10.966 1.00 70.02 C ATOM 342 CG GLN A 27 -4.718 -14.390 -10.308 1.00 52.52 C ATOM 343 CD GLN A 27 -5.484 -15.251 -11.293 1.00 21.01 C ATOM 344 OE1 GLN A 27 -6.396 -14.778 -11.971 1.00 51.41 O ATOM 345 NE2 GLN A 27 -5.116 -16.524 -11.377 1.00 31.21 N ATOM 0 H GLN A 27 -2.176 -14.749 -10.731 1.00 51.53 H new ATOM 0 HA GLN A 27 -3.755 -13.934 -12.953 1.00 52.53 H new ATOM 0 HB2 GLN A 27 -3.501 -12.632 -10.218 1.00 70.02 H new ATOM 0 HB3 GLN A 27 -4.857 -12.510 -11.322 1.00 70.02 H new ATOM 0 HG2 GLN A 27 -3.946 -14.992 -9.829 1.00 52.52 H new ATOM 0 HG3 GLN A 27 -5.394 -14.054 -9.522 1.00 52.52 H new ATOM 0 HE21 GLN A 27 -4.354 -16.874 -10.796 1.00 31.21 H new ATOM 0 HE22 GLN A 27 -5.595 -17.152 -12.023 1.00 31.21 H new ATOM 354 N LYS A 28 -1.677 -11.655 -11.737 1.00 21.25 N ATOM 355 CA LYS A 28 -0.933 -10.449 -12.080 1.00 70.22 C ATOM 356 C LYS A 28 0.412 -10.416 -11.361 1.00 13.21 C ATOM 357 O LYS A 28 0.661 -11.212 -10.456 1.00 61.14 O ATOM 358 CB LYS A 28 -1.747 -9.204 -11.721 1.00 5.30 C ATOM 359 CG LYS A 28 -2.968 -9.000 -12.601 1.00 21.43 C ATOM 360 CD LYS A 28 -4.038 -8.189 -11.890 1.00 33.31 C ATOM 361 CE LYS A 28 -5.434 -8.694 -12.224 1.00 43.01 C ATOM 362 NZ LYS A 28 -6.129 -7.802 -13.193 1.00 62.00 N ATOM 0 H LYS A 28 -1.564 -11.959 -10.770 1.00 21.25 H new ATOM 0 HA LYS A 28 -0.750 -10.458 -13.154 1.00 70.22 H new ATOM 0 HB2 LYS A 28 -2.067 -9.277 -10.682 1.00 5.30 H new ATOM 0 HB3 LYS A 28 -1.105 -8.326 -11.796 1.00 5.30 H new ATOM 0 HG2 LYS A 28 -2.675 -8.491 -13.519 1.00 21.43 H new ATOM 0 HG3 LYS A 28 -3.376 -9.969 -12.889 1.00 21.43 H new ATOM 0 HD2 LYS A 28 -3.879 -8.240 -10.813 1.00 33.31 H new ATOM 0 HD3 LYS A 28 -3.951 -7.141 -12.175 1.00 33.31 H new ATOM 0 HE2 LYS A 28 -5.367 -9.699 -12.640 1.00 43.01 H new ATOM 0 HE3 LYS A 28 -6.023 -8.766 -11.310 1.00 43.01 H new ATOM 0 HZ1 LYS A 28 -7.077 -8.180 -13.395 1.00 62.00 H new ATOM 0 HZ2 LYS A 28 -6.216 -6.849 -12.787 1.00 62.00 H new ATOM 0 HZ3 LYS A 28 -5.580 -7.753 -14.075 1.00 62.00 H new ATOM 376 N GLN A 29 1.273 -9.489 -11.768 1.00 72.04 N ATOM 377 CA GLN A 29 2.591 -9.353 -11.161 1.00 45.53 C ATOM 378 C GLN A 29 3.059 -7.901 -11.195 1.00 34.13 C ATOM 379 O GLN A 29 2.743 -7.158 -12.125 1.00 22.34 O ATOM 380 CB GLN A 29 3.604 -10.243 -11.884 1.00 74.20 C ATOM 381 CG GLN A 29 5.027 -10.082 -11.376 1.00 63.22 C ATOM 382 CD GLN A 29 5.784 -11.395 -11.335 1.00 21.12 C ATOM 383 OE1 GLN A 29 5.314 -12.412 -11.845 1.00 31.41 O ATOM 384 NE2 GLN A 29 6.964 -11.380 -10.725 1.00 52.34 N ATOM 0 H GLN A 29 1.081 -8.822 -12.515 1.00 72.04 H new ATOM 0 HA GLN A 29 2.517 -9.669 -10.120 1.00 45.53 H new ATOM 0 HB2 GLN A 29 3.303 -11.285 -11.774 1.00 74.20 H new ATOM 0 HB3 GLN A 29 3.580 -10.015 -12.950 1.00 74.20 H new ATOM 0 HG2 GLN A 29 5.560 -9.379 -12.017 1.00 63.22 H new ATOM 0 HG3 GLN A 29 5.005 -9.648 -10.376 1.00 63.22 H new ATOM 0 HE21 GLN A 29 7.316 -10.514 -10.316 1.00 52.34 H new ATOM 0 HE22 GLN A 29 7.518 -12.234 -10.666 1.00 52.34 H new ATOM 393 N TYR A 30 3.811 -7.504 -10.175 1.00 1.52 N ATOM 394 CA TYR A 30 4.319 -6.140 -10.086 1.00 44.20 C ATOM 395 C TYR A 30 5.595 -5.979 -10.907 1.00 71.35 C ATOM 396 O TYR A 30 6.674 -6.403 -10.491 1.00 33.24 O ATOM 397 CB TYR A 30 4.589 -5.768 -8.627 1.00 52.30 C ATOM 398 CG TYR A 30 4.646 -4.277 -8.383 1.00 43.52 C ATOM 399 CD1 TYR A 30 3.609 -3.446 -8.789 1.00 71.12 C ATOM 400 CD2 TYR A 30 5.738 -3.698 -7.748 1.00 1.00 C ATOM 401 CE1 TYR A 30 3.657 -2.083 -8.569 1.00 62.02 C ATOM 402 CE2 TYR A 30 5.794 -2.336 -7.523 1.00 23.35 C ATOM 403 CZ TYR A 30 4.752 -1.533 -7.935 1.00 73.01 C ATOM 404 OH TYR A 30 4.805 -0.176 -7.714 1.00 15.13 O ATOM 0 H TYR A 30 4.082 -8.107 -9.398 1.00 1.52 H new ATOM 0 HA TYR A 30 3.560 -5.470 -10.491 1.00 44.20 H new ATOM 0 HB2 TYR A 30 3.809 -6.201 -8.000 1.00 52.30 H new ATOM 0 HB3 TYR A 30 5.533 -6.215 -8.316 1.00 52.30 H new ATOM 0 HD1 TYR A 30 2.750 -3.873 -9.285 1.00 71.12 H new ATOM 0 HD2 TYR A 30 6.557 -4.323 -7.425 1.00 1.00 H new ATOM 0 HE1 TYR A 30 2.842 -1.452 -8.891 1.00 62.02 H new ATOM 0 HE2 TYR A 30 6.650 -1.903 -7.027 1.00 23.35 H new ATOM 0 HH TYR A 30 5.642 0.048 -7.256 1.00 15.13 H new ATOM 414 N LEU A 31 5.464 -5.364 -12.077 1.00 54.52 N ATOM 415 CA LEU A 31 6.605 -5.145 -12.959 1.00 51.02 C ATOM 416 C LEU A 31 6.622 -3.713 -13.483 1.00 53.41 C ATOM 417 O LEU A 31 5.590 -3.177 -13.887 1.00 74.25 O ATOM 418 CB LEU A 31 6.565 -6.128 -14.130 1.00 61.14 C ATOM 419 CG LEU A 31 6.759 -7.603 -13.776 1.00 0.23 C ATOM 420 CD1 LEU A 31 5.906 -8.485 -14.675 1.00 3.43 C ATOM 421 CD2 LEU A 31 8.227 -7.989 -13.884 1.00 50.21 C ATOM 0 H LEU A 31 4.579 -5.008 -12.437 1.00 54.52 H new ATOM 0 HA LEU A 31 7.515 -5.312 -12.383 1.00 51.02 H new ATOM 0 HB2 LEU A 31 5.606 -6.020 -14.636 1.00 61.14 H new ATOM 0 HB3 LEU A 31 7.337 -5.842 -14.845 1.00 61.14 H new ATOM 0 HG LEU A 31 6.439 -7.754 -12.745 1.00 0.23 H new ATOM 0 HD11 LEU A 31 6.057 -9.531 -14.408 1.00 3.43 H new ATOM 0 HD12 LEU A 31 4.855 -8.226 -14.547 1.00 3.43 H new ATOM 0 HD13 LEU A 31 6.194 -8.331 -15.715 1.00 3.43 H new ATOM 0 HD21 LEU A 31 8.346 -9.042 -13.629 1.00 50.21 H new ATOM 0 HD22 LEU A 31 8.573 -7.822 -14.904 1.00 50.21 H new ATOM 0 HD23 LEU A 31 8.815 -7.380 -13.197 1.00 50.21 H new ATOM 433 N TRP A 32 7.800 -3.099 -13.475 1.00 35.22 N ATOM 434 CA TRP A 32 7.951 -1.729 -13.951 1.00 71.04 C ATOM 435 C TRP A 32 7.053 -0.778 -13.168 1.00 54.14 C ATOM 436 O TRP A 32 6.526 0.189 -13.720 1.00 31.30 O ATOM 437 CB TRP A 32 7.624 -1.647 -15.443 1.00 74.23 C ATOM 438 CG TRP A 32 8.700 -2.213 -16.319 1.00 41.25 C ATOM 439 CD1 TRP A 32 9.401 -3.367 -16.115 1.00 71.04 C ATOM 440 CD2 TRP A 32 9.199 -1.648 -17.537 1.00 3.13 C ATOM 441 NE1 TRP A 32 10.306 -3.554 -17.132 1.00 52.35 N ATOM 442 CE2 TRP A 32 10.201 -2.513 -18.017 1.00 63.55 C ATOM 443 CE3 TRP A 32 8.896 -0.497 -18.268 1.00 41.53 C ATOM 444 CZ2 TRP A 32 10.900 -2.261 -19.195 1.00 24.12 C ATOM 445 CZ3 TRP A 32 9.591 -0.247 -19.436 1.00 61.44 C ATOM 446 CH2 TRP A 32 10.583 -1.126 -19.891 1.00 21.51 C ATOM 0 H TRP A 32 8.664 -3.528 -13.144 1.00 35.22 H new ATOM 0 HA TRP A 32 8.987 -1.429 -13.796 1.00 71.04 H new ATOM 0 HB2 TRP A 32 6.693 -2.180 -15.633 1.00 74.23 H new ATOM 0 HB3 TRP A 32 7.456 -0.605 -15.714 1.00 74.23 H new ATOM 0 HD1 TRP A 32 9.264 -4.035 -15.277 1.00 71.04 H new ATOM 0 HE1 TRP A 32 10.951 -4.340 -17.215 1.00 52.35 H new ATOM 0 HE3 TRP A 32 8.132 0.186 -17.926 1.00 41.53 H new ATOM 0 HZ2 TRP A 32 11.665 -2.937 -19.547 1.00 24.12 H new ATOM 0 HZ3 TRP A 32 9.366 0.641 -20.008 1.00 61.44 H new ATOM 0 HH2 TRP A 32 11.107 -0.904 -20.809 1.00 21.51 H new ATOM 457 N TYR A 33 6.882 -1.058 -11.881 1.00 40.52 N ATOM 458 CA TYR A 33 6.045 -0.227 -11.023 1.00 61.31 C ATOM 459 C TYR A 33 4.594 -0.248 -11.493 1.00 33.34 C ATOM 460 O TYR A 33 3.884 0.753 -11.400 1.00 53.32 O ATOM 461 CB TYR A 33 6.566 1.211 -11.004 1.00 70.24 C ATOM 462 CG TYR A 33 8.057 1.312 -10.777 1.00 64.21 C ATOM 463 CD1 TYR A 33 8.646 0.764 -9.644 1.00 62.23 C ATOM 464 CD2 TYR A 33 8.878 1.955 -11.696 1.00 71.51 C ATOM 465 CE1 TYR A 33 10.008 0.854 -9.432 1.00 42.53 C ATOM 466 CE2 TYR A 33 10.241 2.049 -11.493 1.00 62.30 C ATOM 467 CZ TYR A 33 10.801 1.498 -10.360 1.00 24.45 C ATOM 468 OH TYR A 33 12.159 1.589 -10.153 1.00 32.23 O ATOM 0 H TYR A 33 7.311 -1.854 -11.409 1.00 40.52 H new ATOM 0 HA TYR A 33 6.087 -0.634 -10.013 1.00 61.31 H new ATOM 0 HB2 TYR A 33 6.318 1.691 -11.951 1.00 70.24 H new ATOM 0 HB3 TYR A 33 6.049 1.765 -10.221 1.00 70.24 H new ATOM 0 HD1 TYR A 33 8.028 0.259 -8.916 1.00 62.23 H new ATOM 0 HD2 TYR A 33 8.443 2.389 -12.584 1.00 71.51 H new ATOM 0 HE1 TYR A 33 10.450 0.423 -8.546 1.00 42.53 H new ATOM 0 HE2 TYR A 33 10.865 2.551 -12.218 1.00 62.30 H new ATOM 0 HH TYR A 33 12.572 2.071 -10.899 1.00 32.23 H new ATOM 478 N LYS A 34 4.158 -1.398 -11.997 1.00 25.14 N ATOM 479 CA LYS A 34 2.792 -1.554 -12.480 1.00 14.33 C ATOM 480 C LYS A 34 2.380 -3.023 -12.484 1.00 41.55 C ATOM 481 O LYS A 34 3.211 -3.909 -12.683 1.00 42.30 O ATOM 482 CB LYS A 34 2.657 -0.971 -13.888 1.00 42.13 C ATOM 483 CG LYS A 34 1.316 -0.306 -14.146 1.00 61.11 C ATOM 484 CD LYS A 34 1.309 1.138 -13.672 1.00 62.34 C ATOM 485 CE LYS A 34 0.768 1.257 -12.256 1.00 32.00 C ATOM 486 NZ LYS A 34 0.319 2.643 -11.949 1.00 2.34 N ATOM 0 H LYS A 34 4.733 -2.237 -12.081 1.00 25.14 H new ATOM 0 HA LYS A 34 2.131 -1.012 -11.804 1.00 14.33 H new ATOM 0 HB2 LYS A 34 3.451 -0.242 -14.048 1.00 42.13 H new ATOM 0 HB3 LYS A 34 2.804 -1.767 -14.617 1.00 42.13 H new ATOM 0 HG2 LYS A 34 1.091 -0.341 -15.212 1.00 61.11 H new ATOM 0 HG3 LYS A 34 0.529 -0.861 -13.635 1.00 61.11 H new ATOM 0 HD2 LYS A 34 2.322 1.540 -13.711 1.00 62.34 H new ATOM 0 HD3 LYS A 34 0.701 1.741 -14.347 1.00 62.34 H new ATOM 0 HE2 LYS A 34 -0.067 0.568 -12.127 1.00 32.00 H new ATOM 0 HE3 LYS A 34 1.540 0.960 -11.546 1.00 32.00 H new ATOM 0 HZ1 LYS A 34 -0.043 2.683 -10.975 1.00 2.34 H new ATOM 0 HZ2 LYS A 34 1.121 3.298 -12.047 1.00 2.34 H new ATOM 0 HZ3 LYS A 34 -0.435 2.918 -12.610 1.00 2.34 H new ATOM 500 N TRP A 35 1.094 -3.272 -12.266 1.00 62.32 N ATOM 501 CA TRP A 35 0.573 -4.634 -12.247 1.00 70.51 C ATOM 502 C TRP A 35 0.294 -5.130 -13.662 1.00 33.45 C ATOM 503 O TRP A 35 -0.667 -4.702 -14.301 1.00 12.32 O ATOM 504 CB TRP A 35 -0.704 -4.702 -11.408 1.00 52.01 C ATOM 505 CG TRP A 35 -0.461 -4.518 -9.941 1.00 13.14 C ATOM 506 CD1 TRP A 35 -0.753 -3.412 -9.194 1.00 34.41 C ATOM 507 CD2 TRP A 35 0.125 -5.467 -9.044 1.00 25.05 C ATOM 508 NE1 TRP A 35 -0.383 -3.617 -7.886 1.00 75.15 N ATOM 509 CE2 TRP A 35 0.157 -4.870 -7.768 1.00 63.00 C ATOM 510 CE3 TRP A 35 0.625 -6.763 -9.193 1.00 21.51 C ATOM 511 CZ2 TRP A 35 0.670 -5.526 -6.652 1.00 41.01 C ATOM 512 CZ3 TRP A 35 1.134 -7.413 -8.084 1.00 70.05 C ATOM 513 CH2 TRP A 35 1.153 -6.794 -6.827 1.00 72.43 C ATOM 0 H TRP A 35 0.393 -2.550 -12.100 1.00 62.32 H new ATOM 0 HA TRP A 35 1.328 -5.279 -11.798 1.00 70.51 H new ATOM 0 HB2 TRP A 35 -1.398 -3.936 -11.753 1.00 52.01 H new ATOM 0 HB3 TRP A 35 -1.186 -5.666 -11.571 1.00 52.01 H new ATOM 0 HD1 TRP A 35 -1.208 -2.509 -9.575 1.00 34.41 H new ATOM 0 HE1 TRP A 35 -0.493 -2.945 -7.127 1.00 75.15 H new ATOM 0 HE3 TRP A 35 0.614 -7.249 -10.158 1.00 21.51 H new ATOM 0 HZ2 TRP A 35 0.686 -5.051 -5.682 1.00 41.01 H new ATOM 0 HZ3 TRP A 35 1.524 -8.415 -8.188 1.00 70.05 H new ATOM 0 HH2 TRP A 35 1.557 -7.328 -5.980 1.00 72.43 H new ATOM 524 N ARG A 36 1.139 -6.035 -14.144 1.00 74.44 N ATOM 525 CA ARG A 36 0.982 -6.589 -15.484 1.00 42.42 C ATOM 526 C ARG A 36 0.711 -8.089 -15.425 1.00 11.03 C ATOM 527 O ARG A 36 1.092 -8.777 -14.477 1.00 42.43 O ATOM 528 CB ARG A 36 2.235 -6.319 -16.320 1.00 12.31 C ATOM 529 CG ARG A 36 2.801 -4.920 -16.134 1.00 62.53 C ATOM 530 CD ARG A 36 3.942 -4.649 -17.102 1.00 3.30 C ATOM 531 NE ARG A 36 4.402 -3.264 -17.031 1.00 70.32 N ATOM 532 CZ ARG A 36 3.787 -2.254 -17.636 1.00 0.11 C ATOM 533 NH1 ARG A 36 2.693 -2.473 -18.352 1.00 12.51 N ATOM 534 NH2 ARG A 36 4.266 -1.022 -17.524 1.00 43.44 N ATOM 0 H ARG A 36 1.939 -6.400 -13.627 1.00 74.44 H new ATOM 0 HA ARG A 36 0.127 -6.102 -15.953 1.00 42.42 H new ATOM 0 HB2 ARG A 36 3.001 -7.049 -16.058 1.00 12.31 H new ATOM 0 HB3 ARG A 36 1.998 -6.469 -17.373 1.00 12.31 H new ATOM 0 HG2 ARG A 36 2.012 -4.184 -16.285 1.00 62.53 H new ATOM 0 HG3 ARG A 36 3.155 -4.803 -15.110 1.00 62.53 H new ATOM 0 HD2 ARG A 36 4.773 -5.319 -16.880 1.00 3.30 H new ATOM 0 HD3 ARG A 36 3.616 -4.871 -18.118 1.00 3.30 H new ATOM 0 HE ARG A 36 5.241 -3.062 -16.487 1.00 70.32 H new ATOM 0 HH11 ARG A 36 2.322 -3.419 -18.439 1.00 12.51 H new ATOM 0 HH12 ARG A 36 2.223 -1.696 -18.816 1.00 12.51 H new ATOM 0 HH21 ARG A 36 5.107 -0.850 -16.973 1.00 43.44 H new ATOM 0 HH22 ARG A 36 3.793 -0.247 -17.989 1.00 43.44 H new ATOM 548 N PRO A 37 0.036 -8.610 -16.460 1.00 32.00 N ATOM 549 CA PRO A 37 -0.302 -10.034 -16.549 1.00 3.21 C ATOM 550 C PRO A 37 0.926 -10.907 -16.784 1.00 20.04 C ATOM 551 O PRO A 37 2.034 -10.402 -16.967 1.00 3.41 O ATOM 552 CB PRO A 37 -1.244 -10.100 -17.754 1.00 24.43 C ATOM 553 CG PRO A 37 -0.876 -8.922 -18.588 1.00 1.04 C ATOM 554 CD PRO A 37 -0.450 -7.849 -17.624 1.00 25.42 C ATOM 0 HA PRO A 37 -0.743 -10.407 -15.625 1.00 3.21 H new ATOM 0 HB2 PRO A 37 -1.116 -11.031 -18.306 1.00 24.43 H new ATOM 0 HB3 PRO A 37 -2.288 -10.054 -17.443 1.00 24.43 H new ATOM 0 HG2 PRO A 37 -0.069 -9.169 -19.278 1.00 1.04 H new ATOM 0 HG3 PRO A 37 -1.722 -8.591 -19.191 1.00 1.04 H new ATOM 0 HD2 PRO A 37 0.332 -7.217 -18.046 1.00 25.42 H new ATOM 0 HD3 PRO A 37 -1.280 -7.195 -17.358 1.00 25.42 H new ATOM 562 N LEU A 38 0.722 -12.220 -16.777 1.00 44.33 N ATOM 563 CA LEU A 38 1.814 -13.164 -16.990 1.00 74.33 C ATOM 564 C LEU A 38 1.423 -14.226 -18.013 1.00 71.03 C ATOM 565 O LEU A 38 0.256 -14.605 -18.115 1.00 30.04 O ATOM 566 CB LEU A 38 2.202 -13.831 -15.670 1.00 4.14 C ATOM 567 CG LEU A 38 2.877 -12.929 -14.636 1.00 3.04 C ATOM 568 CD1 LEU A 38 3.239 -13.723 -13.390 1.00 1.21 C ATOM 569 CD2 LEU A 38 4.114 -12.271 -15.229 1.00 4.53 C ATOM 0 H LEU A 38 -0.188 -12.655 -16.626 1.00 44.33 H new ATOM 0 HA LEU A 38 2.670 -12.611 -17.376 1.00 74.33 H new ATOM 0 HB2 LEU A 38 1.303 -14.254 -15.222 1.00 4.14 H new ATOM 0 HB3 LEU A 38 2.871 -14.663 -15.889 1.00 4.14 H new ATOM 0 HG LEU A 38 2.174 -12.146 -14.351 1.00 3.04 H new ATOM 0 HD11 LEU A 38 3.718 -13.065 -12.666 1.00 1.21 H new ATOM 0 HD12 LEU A 38 2.335 -14.146 -12.953 1.00 1.21 H new ATOM 0 HD13 LEU A 38 3.924 -14.528 -13.658 1.00 1.21 H new ATOM 0 HD21 LEU A 38 4.581 -11.633 -14.479 1.00 4.53 H new ATOM 0 HD22 LEU A 38 4.820 -13.040 -15.542 1.00 4.53 H new ATOM 0 HD23 LEU A 38 3.828 -11.668 -16.091 1.00 4.53 H new ATOM 581 N ASP A 39 2.407 -14.703 -18.768 1.00 34.31 N ATOM 582 CA ASP A 39 2.167 -15.724 -19.781 1.00 74.31 C ATOM 583 C ASP A 39 3.404 -16.595 -19.979 1.00 54.32 C ATOM 584 O ASP A 39 4.510 -16.087 -20.164 1.00 40.14 O ATOM 585 CB ASP A 39 1.768 -15.074 -21.107 1.00 12.23 C ATOM 586 CG ASP A 39 1.397 -16.095 -22.164 1.00 54.11 C ATOM 587 OD1 ASP A 39 1.129 -17.259 -21.798 1.00 11.54 O ATOM 588 OD2 ASP A 39 1.373 -15.730 -23.358 1.00 31.10 O ATOM 0 H ASP A 39 3.378 -14.399 -18.697 1.00 34.31 H new ATOM 0 HA ASP A 39 1.350 -16.358 -19.436 1.00 74.31 H new ATOM 0 HB2 ASP A 39 0.924 -14.405 -20.941 1.00 12.23 H new ATOM 0 HB3 ASP A 39 2.593 -14.462 -21.471 1.00 12.23 H new ATOM 593 N CYS A 40 3.209 -17.909 -19.938 1.00 1.52 N ATOM 594 CA CYS A 40 4.308 -18.851 -20.111 1.00 2.40 C ATOM 595 C CYS A 40 4.942 -18.700 -21.491 1.00 54.40 C ATOM 596 O CYS A 40 4.294 -18.935 -22.511 1.00 65.15 O ATOM 597 CB CYS A 40 3.813 -20.285 -19.919 1.00 73.33 C ATOM 598 SG CYS A 40 3.104 -20.614 -18.274 1.00 0.35 S ATOM 0 H CYS A 40 2.300 -18.345 -19.786 1.00 1.52 H new ATOM 0 HA CYS A 40 5.064 -18.631 -19.357 1.00 2.40 H new ATOM 0 HB2 CYS A 40 3.061 -20.503 -20.677 1.00 73.33 H new ATOM 0 HB3 CYS A 40 4.644 -20.970 -20.088 1.00 73.33 H new ATOM 603 N ARG A 41 6.211 -18.306 -21.514 1.00 13.25 N ATOM 604 CA ARG A 41 6.932 -18.122 -22.767 1.00 73.44 C ATOM 605 C ARG A 41 8.193 -18.980 -22.800 1.00 22.24 C ATOM 606 O ARG A 41 8.862 -19.159 -21.781 1.00 53.10 O ATOM 607 CB ARG A 41 7.298 -16.650 -22.959 1.00 5.43 C ATOM 608 CG ARG A 41 6.226 -15.843 -23.672 1.00 41.42 C ATOM 609 CD ARG A 41 6.151 -16.199 -25.149 1.00 13.03 C ATOM 610 NE ARG A 41 5.128 -15.425 -25.847 1.00 32.10 N ATOM 611 CZ ARG A 41 5.240 -14.128 -26.110 1.00 52.14 C ATOM 612 NH1 ARG A 41 6.324 -13.463 -25.736 1.00 21.22 N ATOM 613 NH2 ARG A 41 4.266 -13.493 -26.750 1.00 71.12 N ATOM 0 H ARG A 41 6.761 -18.108 -20.678 1.00 13.25 H new ATOM 0 HA ARG A 41 6.279 -18.435 -23.582 1.00 73.44 H new ATOM 0 HB2 ARG A 41 7.489 -16.202 -21.984 1.00 5.43 H new ATOM 0 HB3 ARG A 41 8.226 -16.586 -23.527 1.00 5.43 H new ATOM 0 HG2 ARG A 41 5.259 -16.026 -23.203 1.00 41.42 H new ATOM 0 HG3 ARG A 41 6.437 -14.779 -23.563 1.00 41.42 H new ATOM 0 HD2 ARG A 41 7.121 -16.021 -25.614 1.00 13.03 H new ATOM 0 HD3 ARG A 41 5.936 -17.262 -25.255 1.00 13.03 H new ATOM 0 HE ARG A 41 4.281 -15.907 -26.149 1.00 32.10 H new ATOM 0 HH11 ARG A 41 7.075 -13.947 -25.245 1.00 21.22 H new ATOM 0 HH12 ARG A 41 6.407 -12.467 -25.940 1.00 21.22 H new ATOM 0 HH21 ARG A 41 3.431 -14.001 -27.040 1.00 71.12 H new ATOM 0 HH22 ARG A 41 4.353 -12.497 -26.952 1.00 71.12 H new ATOM 627 N CYS A 42 8.513 -19.509 -23.976 1.00 33.31 N ATOM 628 CA CYS A 42 9.693 -20.349 -24.142 1.00 73.20 C ATOM 629 C CYS A 42 10.822 -19.573 -24.813 1.00 64.43 C ATOM 630 O CYS A 42 10.788 -19.323 -26.019 1.00 32.11 O ATOM 631 CB CYS A 42 9.349 -21.590 -24.969 1.00 42.52 C ATOM 632 SG CYS A 42 7.990 -22.589 -24.282 1.00 11.32 S ATOM 0 H CYS A 42 7.971 -19.371 -24.829 1.00 33.31 H new ATOM 0 HA CYS A 42 10.029 -20.662 -23.153 1.00 73.20 H new ATOM 0 HB2 CYS A 42 9.082 -21.278 -25.979 1.00 42.52 H new ATOM 0 HB3 CYS A 42 10.238 -22.215 -25.054 1.00 42.52 H new ATOM 637 N LEU A 43 11.823 -19.196 -24.025 1.00 51.12 N ATOM 638 CA LEU A 43 12.964 -18.449 -24.542 1.00 42.33 C ATOM 639 C LEU A 43 14.248 -18.850 -23.824 1.00 5.03 C ATOM 640 O LEU A 43 14.212 -19.387 -22.716 1.00 54.23 O ATOM 641 CB LEU A 43 12.728 -16.946 -24.387 1.00 15.53 C ATOM 642 CG LEU A 43 12.598 -16.431 -22.952 1.00 73.45 C ATOM 643 CD1 LEU A 43 13.096 -14.998 -22.852 1.00 23.20 C ATOM 644 CD2 LEU A 43 11.155 -16.530 -22.479 1.00 72.50 C ATOM 0 H LEU A 43 11.867 -19.395 -23.026 1.00 51.12 H new ATOM 0 HA LEU A 43 13.072 -18.686 -25.600 1.00 42.33 H new ATOM 0 HB2 LEU A 43 13.551 -16.418 -24.868 1.00 15.53 H new ATOM 0 HB3 LEU A 43 11.820 -16.683 -24.930 1.00 15.53 H new ATOM 0 HG LEU A 43 13.215 -17.054 -22.305 1.00 73.45 H new ATOM 0 HD11 LEU A 43 12.996 -14.649 -21.824 1.00 23.20 H new ATOM 0 HD12 LEU A 43 14.144 -14.955 -23.149 1.00 23.20 H new ATOM 0 HD13 LEU A 43 12.506 -14.361 -23.511 1.00 23.20 H new ATOM 0 HD21 LEU A 43 11.081 -16.160 -21.457 1.00 72.50 H new ATOM 0 HD22 LEU A 43 10.517 -15.931 -23.129 1.00 72.50 H new ATOM 0 HD23 LEU A 43 10.832 -17.570 -22.512 1.00 72.50 H new ATOM 656 N LYS A 44 15.384 -18.584 -24.460 1.00 61.11 N ATOM 657 CA LYS A 44 16.681 -18.914 -23.881 1.00 43.55 C ATOM 658 C LYS A 44 17.673 -17.772 -24.084 1.00 30.41 C ATOM 659 O LYS A 44 17.669 -17.111 -25.122 1.00 41.10 O ATOM 660 CB LYS A 44 17.230 -20.198 -24.507 1.00 45.30 C ATOM 661 CG LYS A 44 17.887 -19.983 -25.860 1.00 12.22 C ATOM 662 CD LYS A 44 16.889 -19.481 -26.890 1.00 60.43 C ATOM 663 CE LYS A 44 17.297 -19.879 -28.301 1.00 0.24 C ATOM 664 NZ LYS A 44 18.492 -19.122 -28.766 1.00 62.33 N ATOM 0 H LYS A 44 15.433 -18.140 -25.377 1.00 61.11 H new ATOM 0 HA LYS A 44 16.545 -19.068 -22.811 1.00 43.55 H new ATOM 0 HB2 LYS A 44 17.956 -20.642 -23.826 1.00 45.30 H new ATOM 0 HB3 LYS A 44 16.416 -20.915 -24.617 1.00 45.30 H new ATOM 0 HG2 LYS A 44 18.701 -19.265 -25.760 1.00 12.22 H new ATOM 0 HG3 LYS A 44 18.328 -20.919 -26.205 1.00 12.22 H new ATOM 0 HD2 LYS A 44 15.901 -19.885 -26.668 1.00 60.43 H new ATOM 0 HD3 LYS A 44 16.812 -18.396 -26.825 1.00 60.43 H new ATOM 0 HE2 LYS A 44 17.510 -20.948 -28.330 1.00 0.24 H new ATOM 0 HE3 LYS A 44 16.466 -19.701 -28.983 1.00 0.24 H new ATOM 0 HZ1 LYS A 44 18.739 -19.421 -29.731 1.00 62.33 H new ATOM 0 HZ2 LYS A 44 18.281 -18.104 -28.763 1.00 62.33 H new ATOM 0 HZ3 LYS A 44 19.292 -19.312 -28.130 1.00 62.33 H new ATOM 678 N SER A 45 18.522 -17.548 -23.086 1.00 61.32 N ATOM 679 CA SER A 45 19.518 -16.485 -23.154 1.00 62.53 C ATOM 680 C SER A 45 20.926 -17.049 -22.989 1.00 62.21 C ATOM 681 O SER A 45 21.475 -17.066 -21.888 1.00 61.22 O ATOM 682 CB SER A 45 19.248 -15.434 -22.076 1.00 73.31 C ATOM 683 OG SER A 45 20.276 -14.460 -22.044 1.00 63.13 O ATOM 0 H SER A 45 18.540 -18.088 -22.221 1.00 61.32 H new ATOM 0 HA SER A 45 19.446 -16.015 -24.135 1.00 62.53 H new ATOM 0 HB2 SER A 45 18.290 -14.950 -22.267 1.00 73.31 H new ATOM 0 HB3 SER A 45 19.171 -15.918 -21.103 1.00 73.31 H new ATOM 0 HG SER A 45 20.079 -13.799 -21.348 1.00 63.13 H new ATOM 689 N GLY A 46 21.506 -17.511 -24.093 1.00 53.44 N ATOM 690 CA GLY A 46 22.844 -18.069 -24.051 1.00 24.22 C ATOM 691 C GLY A 46 22.839 -19.574 -23.865 1.00 43.44 C ATOM 692 O GLY A 46 23.668 -20.280 -24.440 1.00 22.04 O ATOM 0 H GLY A 46 21.072 -17.508 -25.016 1.00 53.44 H new ATOM 0 HA2 GLY A 46 23.367 -17.822 -24.975 1.00 24.22 H new ATOM 0 HA3 GLY A 46 23.402 -17.607 -23.236 1.00 24.22 H new ATOM 696 N PHE A 47 21.904 -20.066 -23.060 1.00 11.32 N ATOM 697 CA PHE A 47 21.796 -21.496 -22.798 1.00 20.21 C ATOM 698 C PHE A 47 21.337 -22.245 -24.046 1.00 14.52 C ATOM 699 O PHE A 47 20.811 -21.646 -24.984 1.00 51.52 O ATOM 700 CB PHE A 47 20.821 -21.753 -21.647 1.00 72.43 C ATOM 701 CG PHE A 47 21.133 -22.996 -20.863 1.00 72.04 C ATOM 702 CD1 PHE A 47 22.178 -23.013 -19.954 1.00 33.23 C ATOM 703 CD2 PHE A 47 20.381 -24.147 -21.037 1.00 24.32 C ATOM 704 CE1 PHE A 47 22.467 -24.155 -19.230 1.00 43.04 C ATOM 705 CE2 PHE A 47 20.666 -25.292 -20.316 1.00 40.32 C ATOM 706 CZ PHE A 47 21.711 -25.296 -19.413 1.00 31.02 C ATOM 0 H PHE A 47 21.210 -19.495 -22.578 1.00 11.32 H new ATOM 0 HA PHE A 47 22.783 -21.864 -22.518 1.00 20.21 H new ATOM 0 HB2 PHE A 47 20.832 -20.896 -20.974 1.00 72.43 H new ATOM 0 HB3 PHE A 47 19.810 -21.830 -22.048 1.00 72.43 H new ATOM 0 HD1 PHE A 47 22.774 -22.124 -19.809 1.00 33.23 H new ATOM 0 HD2 PHE A 47 19.564 -24.150 -21.743 1.00 24.32 H new ATOM 0 HE1 PHE A 47 23.283 -24.155 -18.522 1.00 43.04 H new ATOM 0 HE2 PHE A 47 20.072 -26.182 -20.459 1.00 40.32 H new ATOM 0 HZ PHE A 47 21.937 -26.190 -18.851 1.00 31.02 H new ATOM 716 N PHE A 48 21.539 -23.558 -24.049 1.00 45.21 N ATOM 717 CA PHE A 48 21.148 -24.389 -25.182 1.00 21.05 C ATOM 718 C PHE A 48 19.724 -24.909 -25.008 1.00 51.22 C ATOM 719 O PHE A 48 18.863 -24.686 -25.859 1.00 35.02 O ATOM 720 CB PHE A 48 22.116 -25.564 -25.338 1.00 1.40 C ATOM 721 CG PHE A 48 23.527 -25.142 -25.634 1.00 60.22 C ATOM 722 CD1 PHE A 48 23.840 -24.513 -26.828 1.00 72.05 C ATOM 723 CD2 PHE A 48 24.540 -25.375 -24.718 1.00 44.34 C ATOM 724 CE1 PHE A 48 25.137 -24.125 -27.104 1.00 24.02 C ATOM 725 CE2 PHE A 48 25.840 -24.988 -24.988 1.00 71.51 C ATOM 726 CZ PHE A 48 26.138 -24.362 -26.182 1.00 44.10 C ATOM 0 H PHE A 48 21.971 -24.070 -23.280 1.00 45.21 H new ATOM 0 HA PHE A 48 21.185 -23.775 -26.082 1.00 21.05 H new ATOM 0 HB2 PHE A 48 22.107 -26.156 -24.423 1.00 1.40 H new ATOM 0 HB3 PHE A 48 21.763 -26.212 -26.141 1.00 1.40 H new ATOM 0 HD1 PHE A 48 23.061 -24.324 -27.552 1.00 72.05 H new ATOM 0 HD2 PHE A 48 24.312 -25.864 -23.783 1.00 44.34 H new ATOM 0 HE1 PHE A 48 25.368 -23.637 -28.039 1.00 24.02 H new ATOM 0 HE2 PHE A 48 26.621 -25.175 -24.266 1.00 71.51 H new ATOM 0 HZ PHE A 48 27.152 -24.058 -26.395 1.00 44.10 H new ATOM 736 N SER A 49 19.485 -25.603 -23.900 1.00 75.24 N ATOM 737 CA SER A 49 18.167 -26.159 -23.616 1.00 73.14 C ATOM 738 C SER A 49 17.210 -25.071 -23.137 1.00 60.43 C ATOM 739 O SER A 49 17.236 -24.676 -21.972 1.00 33.01 O ATOM 740 CB SER A 49 18.272 -27.262 -22.562 1.00 33.51 C ATOM 741 OG SER A 49 17.071 -28.011 -22.485 1.00 54.43 O ATOM 0 H SER A 49 20.186 -25.794 -23.184 1.00 75.24 H new ATOM 0 HA SER A 49 17.773 -26.585 -24.539 1.00 73.14 H new ATOM 0 HB2 SER A 49 19.102 -27.925 -22.806 1.00 33.51 H new ATOM 0 HB3 SER A 49 18.492 -26.821 -21.590 1.00 33.51 H new ATOM 0 HG SER A 49 17.165 -28.711 -21.805 1.00 54.43 H new ATOM 747 N SER A 50 16.367 -24.592 -24.046 1.00 15.13 N ATOM 748 CA SER A 50 15.403 -23.547 -23.718 1.00 64.04 C ATOM 749 C SER A 50 14.305 -24.087 -22.808 1.00 14.00 C ATOM 750 O SER A 50 13.769 -25.172 -23.037 1.00 52.42 O ATOM 751 CB SER A 50 14.787 -22.974 -24.996 1.00 1.31 C ATOM 752 OG SER A 50 13.640 -23.710 -25.384 1.00 24.40 O ATOM 0 H SER A 50 16.332 -24.910 -25.014 1.00 15.13 H new ATOM 0 HA SER A 50 15.930 -22.753 -23.189 1.00 64.04 H new ATOM 0 HB2 SER A 50 14.516 -21.930 -24.837 1.00 1.31 H new ATOM 0 HB3 SER A 50 15.524 -22.993 -25.799 1.00 1.31 H new ATOM 0 HG SER A 50 13.264 -23.323 -26.202 1.00 24.40 H new ATOM 758 N LYS A 51 13.973 -23.322 -21.773 1.00 65.12 N ATOM 759 CA LYS A 51 12.938 -23.720 -20.827 1.00 61.41 C ATOM 760 C LYS A 51 11.755 -22.759 -20.879 1.00 33.40 C ATOM 761 O LYS A 51 11.914 -21.579 -21.192 1.00 34.12 O ATOM 762 CB LYS A 51 13.507 -23.769 -19.407 1.00 62.23 C ATOM 763 CG LYS A 51 13.744 -22.397 -18.799 1.00 73.54 C ATOM 764 CD LYS A 51 14.483 -22.494 -17.475 1.00 71.24 C ATOM 765 CE LYS A 51 15.253 -21.218 -17.173 1.00 24.23 C ATOM 766 NZ LYS A 51 16.547 -21.164 -17.908 1.00 51.54 N ATOM 0 H LYS A 51 14.407 -22.422 -21.568 1.00 65.12 H new ATOM 0 HA LYS A 51 12.589 -24.714 -21.106 1.00 61.41 H new ATOM 0 HB2 LYS A 51 12.821 -24.326 -18.769 1.00 62.23 H new ATOM 0 HB3 LYS A 51 14.448 -24.319 -19.420 1.00 62.23 H new ATOM 0 HG2 LYS A 51 14.319 -21.785 -19.494 1.00 73.54 H new ATOM 0 HG3 LYS A 51 12.788 -21.895 -18.647 1.00 73.54 H new ATOM 0 HD2 LYS A 51 13.771 -22.689 -16.673 1.00 71.24 H new ATOM 0 HD3 LYS A 51 15.172 -23.338 -17.502 1.00 71.24 H new ATOM 0 HE2 LYS A 51 14.645 -20.354 -17.444 1.00 24.23 H new ATOM 0 HE3 LYS A 51 15.441 -21.152 -16.101 1.00 24.23 H new ATOM 0 HZ1 LYS A 51 17.042 -20.279 -17.675 1.00 51.54 H new ATOM 0 HZ2 LYS A 51 17.138 -21.974 -17.631 1.00 51.54 H new ATOM 0 HZ3 LYS A 51 16.367 -21.201 -18.932 1.00 51.54 H new ATOM 780 N CYS A 52 10.568 -23.272 -20.569 1.00 43.42 N ATOM 781 CA CYS A 52 9.358 -22.459 -20.579 1.00 72.34 C ATOM 782 C CYS A 52 9.009 -21.985 -19.172 1.00 4.35 C ATOM 783 O CYS A 52 8.882 -22.788 -18.247 1.00 61.14 O ATOM 784 CB CYS A 52 8.190 -23.255 -21.165 1.00 14.20 C ATOM 785 SG CYS A 52 8.488 -23.884 -22.848 1.00 63.41 S ATOM 0 H CYS A 52 10.419 -24.247 -20.308 1.00 43.42 H new ATOM 0 HA CYS A 52 9.543 -21.584 -21.202 1.00 72.34 H new ATOM 0 HB2 CYS A 52 7.972 -24.097 -20.508 1.00 14.20 H new ATOM 0 HB3 CYS A 52 7.303 -22.622 -21.177 1.00 14.20 H new ATOM 790 N VAL A 53 8.856 -20.673 -19.016 1.00 61.50 N ATOM 791 CA VAL A 53 8.521 -20.091 -17.722 1.00 71.11 C ATOM 792 C VAL A 53 7.608 -18.881 -17.884 1.00 44.40 C ATOM 793 O VAL A 53 7.322 -18.450 -19.002 1.00 34.54 O ATOM 794 CB VAL A 53 9.786 -19.667 -16.953 1.00 22.12 C ATOM 795 CG1 VAL A 53 10.511 -20.886 -16.403 1.00 35.33 C ATOM 796 CG2 VAL A 53 10.705 -18.850 -17.848 1.00 50.14 C ATOM 0 H VAL A 53 8.959 -19.994 -19.770 1.00 61.50 H new ATOM 0 HA VAL A 53 8.001 -20.862 -17.153 1.00 71.11 H new ATOM 0 HB VAL A 53 9.486 -19.042 -16.112 1.00 22.12 H new ATOM 0 HG11 VAL A 53 11.402 -20.566 -15.863 1.00 35.33 H new ATOM 0 HG12 VAL A 53 9.851 -21.427 -15.725 1.00 35.33 H new ATOM 0 HG13 VAL A 53 10.800 -21.539 -17.226 1.00 35.33 H new ATOM 0 HG21 VAL A 53 11.594 -18.559 -17.288 1.00 50.14 H new ATOM 0 HG22 VAL A 53 10.999 -19.448 -18.710 1.00 50.14 H new ATOM 0 HG23 VAL A 53 10.182 -17.956 -18.188 1.00 50.14 H new ATOM 806 N CYS A 54 7.155 -18.334 -16.761 1.00 32.11 N ATOM 807 CA CYS A 54 6.274 -17.172 -16.777 1.00 23.35 C ATOM 808 C CYS A 54 7.044 -15.912 -17.160 1.00 11.42 C ATOM 809 O CYS A 54 8.173 -15.702 -16.715 1.00 55.41 O ATOM 810 CB CYS A 54 5.617 -16.986 -15.407 1.00 45.44 C ATOM 811 SG CYS A 54 4.290 -18.181 -15.050 1.00 40.04 S ATOM 0 H CYS A 54 7.384 -18.677 -15.828 1.00 32.11 H new ATOM 0 HA CYS A 54 5.499 -17.344 -17.524 1.00 23.35 H new ATOM 0 HB2 CYS A 54 6.382 -17.068 -14.635 1.00 45.44 H new ATOM 0 HB3 CYS A 54 5.209 -15.977 -15.346 1.00 45.44 H new ATOM 816 N ARG A 55 6.425 -15.076 -17.988 1.00 1.15 N ATOM 817 CA ARG A 55 7.052 -13.837 -18.432 1.00 13.34 C ATOM 818 C ARG A 55 6.037 -12.698 -18.471 1.00 73.12 C ATOM 819 O ARG A 55 4.828 -12.930 -18.443 1.00 12.51 O ATOM 820 CB ARG A 55 7.678 -14.024 -19.815 1.00 21.23 C ATOM 821 CG ARG A 55 8.733 -15.117 -19.862 1.00 60.34 C ATOM 822 CD ARG A 55 9.994 -14.708 -19.118 1.00 11.44 C ATOM 823 NE ARG A 55 11.149 -15.509 -19.514 1.00 34.32 N ATOM 824 CZ ARG A 55 12.407 -15.127 -19.329 1.00 1.05 C ATOM 825 NH1 ARG A 55 12.672 -13.961 -18.756 1.00 13.12 N ATOM 826 NH2 ARG A 55 13.404 -15.912 -19.716 1.00 62.11 N ATOM 0 H ARG A 55 5.490 -15.234 -18.365 1.00 1.15 H new ATOM 0 HA ARG A 55 7.835 -13.579 -17.719 1.00 13.34 H new ATOM 0 HB2 ARG A 55 6.891 -14.259 -20.532 1.00 21.23 H new ATOM 0 HB3 ARG A 55 8.127 -13.083 -20.132 1.00 21.23 H new ATOM 0 HG2 ARG A 55 8.331 -16.031 -19.424 1.00 60.34 H new ATOM 0 HG3 ARG A 55 8.979 -15.342 -20.900 1.00 60.34 H new ATOM 0 HD2 ARG A 55 10.201 -13.655 -19.308 1.00 11.44 H new ATOM 0 HD3 ARG A 55 9.832 -14.812 -18.045 1.00 11.44 H new ATOM 0 HE ARG A 55 10.980 -16.412 -19.957 1.00 34.32 H new ATOM 0 HH11 ARG A 55 11.908 -13.355 -18.456 1.00 13.12 H new ATOM 0 HH12 ARG A 55 13.639 -13.670 -18.615 1.00 13.12 H new ATOM 0 HH21 ARG A 55 13.205 -16.810 -20.156 1.00 62.11 H new ATOM 0 HH22 ARG A 55 14.370 -15.617 -19.573 1.00 62.11 H new ATOM 840 N ASP A 56 6.537 -11.469 -18.536 1.00 74.03 N ATOM 841 CA ASP A 56 5.674 -10.294 -18.580 1.00 71.12 C ATOM 842 C ASP A 56 5.262 -9.975 -20.014 1.00 65.32 C ATOM 843 O ASP A 56 6.104 -9.897 -20.910 1.00 14.23 O ATOM 844 CB ASP A 56 6.385 -9.090 -17.961 1.00 14.33 C ATOM 845 CG ASP A 56 7.439 -8.504 -18.879 1.00 53.04 C ATOM 846 OD1 ASP A 56 7.094 -7.618 -19.689 1.00 42.43 O ATOM 847 OD2 ASP A 56 8.608 -8.931 -18.788 1.00 64.10 O ATOM 0 H ASP A 56 7.535 -11.260 -18.559 1.00 74.03 H new ATOM 0 HA ASP A 56 4.775 -10.512 -18.003 1.00 71.12 H new ATOM 0 HB2 ASP A 56 5.650 -8.322 -17.720 1.00 14.33 H new ATOM 0 HB3 ASP A 56 6.851 -9.390 -17.023 1.00 14.33 H new ATOM 852 N VAL A 57 3.963 -9.794 -20.225 1.00 54.41 N ATOM 853 CA VAL A 57 3.439 -9.483 -21.550 1.00 61.51 C ATOM 854 C VAL A 57 2.788 -8.105 -21.575 1.00 21.11 C ATOM 855 O VAL A 57 2.243 -7.683 -22.594 1.00 74.24 O ATOM 856 CB VAL A 57 2.409 -10.534 -22.007 1.00 3.23 C ATOM 857 CG1 VAL A 57 3.062 -11.902 -22.135 1.00 3.33 C ATOM 858 CG2 VAL A 57 1.235 -10.583 -21.041 1.00 51.20 C ATOM 0 H VAL A 57 3.253 -9.857 -19.495 1.00 54.41 H new ATOM 0 HA VAL A 57 4.286 -9.493 -22.235 1.00 61.51 H new ATOM 0 HB VAL A 57 2.032 -10.245 -22.988 1.00 3.23 H new ATOM 0 HG11 VAL A 57 2.319 -12.631 -22.459 1.00 3.33 H new ATOM 0 HG12 VAL A 57 3.867 -11.854 -22.869 1.00 3.33 H new ATOM 0 HG13 VAL A 57 3.469 -12.203 -21.170 1.00 3.33 H new ATOM 0 HG21 VAL A 57 0.517 -11.330 -21.379 1.00 51.20 H new ATOM 0 HG22 VAL A 57 1.593 -10.847 -20.046 1.00 51.20 H new ATOM 0 HG23 VAL A 57 0.752 -9.606 -21.005 1.00 51.20 H new TER 868 VAL A 57