USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 251 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 71 ZNZN :(H bumps) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.316 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0575 USER MOD Single : A 46 HIS : no HD1:sc= -9.02! C(o=-9!,f=-7.1!) USER MOD Single : A 51 LYS NZ :NH3+ -127:sc= 1.28 (180deg=-0.426) USER MOD Single : A 56 ASN : amide:sc= -1.1! X(o=-1.1!,f=-1) USER MOD Single : A 57 HIS : no HD1:sc= 0.41 K(o=0.41,f=-2.1!) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.0343 (180deg=-0.608) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 87:sc= 0.0169 USER MOD Single : A 67 GLN : amide:sc= -0.29 K(o=-0.29,f=-2.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -7.606 -13.441 -10.378 1.00 0.00 N ATOM 2 CA ASP A 39 -8.129 -13.429 -8.991 1.00 0.00 C ATOM 3 C ASP A 39 -8.200 -11.991 -8.475 1.00 0.00 C ATOM 4 O ASP A 39 -8.300 -11.059 -9.249 1.00 0.00 O ATOM 5 CB ASP A 39 -7.199 -14.254 -8.077 1.00 0.00 C ATOM 6 CG ASP A 39 -7.967 -14.685 -6.824 1.00 0.00 C ATOM 7 OD1 ASP A 39 -9.048 -14.151 -6.641 1.00 0.00 O ATOM 8 OD2 ASP A 39 -7.428 -15.524 -6.121 1.00 0.00 O ATOM 0 HA ASP A 39 -9.128 -13.866 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.831 -15.130 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.328 -13.662 -7.797 1.00 0.00 H new ATOM 15 N ARG A 40 -8.147 -11.834 -7.178 1.00 0.00 N ATOM 16 CA ARG A 40 -8.211 -10.459 -6.608 1.00 0.00 C ATOM 17 C ARG A 40 -9.352 -9.657 -7.264 1.00 0.00 C ATOM 18 O ARG A 40 -9.111 -8.748 -8.031 1.00 0.00 O ATOM 19 CB ARG A 40 -6.866 -9.741 -6.899 1.00 0.00 C ATOM 20 CG ARG A 40 -5.814 -10.145 -5.840 1.00 0.00 C ATOM 21 CD ARG A 40 -5.333 -11.580 -6.095 1.00 0.00 C ATOM 22 NE ARG A 40 -6.363 -12.534 -5.596 1.00 0.00 N ATOM 23 CZ ARG A 40 -6.495 -12.732 -4.309 1.00 0.00 C ATOM 24 NH1 ARG A 40 -5.441 -12.643 -3.541 1.00 0.00 N ATOM 25 NH2 ARG A 40 -7.675 -13.020 -3.835 1.00 0.00 N ATOM 0 H ARG A 40 -8.063 -12.589 -6.497 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.393 -10.524 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.511 -10.004 -7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.010 -8.661 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.968 -9.458 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.244 -10.069 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.161 -11.735 -7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.383 -11.754 -5.590 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.963 -13.031 -6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.532 -12.422 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.528 -12.795 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.475 -13.088 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.798 -13.178 -2.835 1.00 0.00 H new ATOM 39 N PRO A 41 -10.588 -10.020 -6.939 1.00 0.00 N ATOM 40 CA PRO A 41 -11.755 -9.334 -7.500 1.00 0.00 C ATOM 41 C PRO A 41 -11.780 -7.846 -7.118 1.00 0.00 C ATOM 42 O PRO A 41 -12.586 -7.093 -7.628 1.00 0.00 O ATOM 43 CB PRO A 41 -12.988 -10.078 -6.889 1.00 0.00 C ATOM 44 CG PRO A 41 -12.431 -11.284 -6.056 1.00 0.00 C ATOM 45 CD PRO A 41 -10.891 -11.131 -6.010 1.00 0.00 C ATOM 0 HA PRO A 41 -11.746 -9.360 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.568 -9.407 -6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.655 -10.429 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.849 -11.283 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.711 -12.232 -6.516 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.547 -10.906 -5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.394 -12.050 -6.319 1.00 0.00 H new ATOM 53 N TYR A 42 -10.895 -7.454 -6.226 1.00 0.00 N ATOM 54 CA TYR A 42 -10.848 -6.014 -5.793 1.00 0.00 C ATOM 55 C TYR A 42 -9.453 -5.439 -5.946 1.00 0.00 C ATOM 56 O TYR A 42 -8.738 -5.276 -4.988 1.00 0.00 O ATOM 57 CB TYR A 42 -11.248 -5.936 -4.306 1.00 0.00 C ATOM 58 CG TYR A 42 -12.730 -6.286 -4.166 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.698 -5.334 -4.415 1.00 0.00 C ATOM 60 CD2 TYR A 42 -13.122 -7.554 -3.790 1.00 0.00 C ATOM 61 CE1 TYR A 42 -15.035 -5.644 -4.291 1.00 0.00 C ATOM 62 CE2 TYR A 42 -14.461 -7.864 -3.665 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.428 -6.912 -3.914 1.00 0.00 C ATOM 64 OH TYR A 42 -16.767 -7.222 -3.787 1.00 0.00 O ATOM 0 H TYR A 42 -10.208 -8.063 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.532 -5.441 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.642 -6.625 -3.717 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.060 -4.935 -3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.405 -4.337 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.376 -8.309 -3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.781 -4.889 -4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.754 -8.861 -3.370 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.862 -8.159 -3.515 1.00 0.00 H new ATOM 74 N SER A 43 -9.093 -5.137 -7.164 1.00 0.00 N ATOM 75 CA SER A 43 -7.731 -4.559 -7.422 1.00 0.00 C ATOM 76 C SER A 43 -7.835 -3.063 -7.696 1.00 0.00 C ATOM 77 O SER A 43 -7.820 -2.635 -8.834 1.00 0.00 O ATOM 78 CB SER A 43 -7.137 -5.249 -8.661 1.00 0.00 C ATOM 79 OG SER A 43 -7.477 -6.617 -8.493 1.00 0.00 O ATOM 0 H SER A 43 -9.676 -5.263 -7.992 1.00 0.00 H new ATOM 0 HA SER A 43 -7.099 -4.718 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.557 -4.844 -9.582 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.057 -5.111 -8.715 1.00 0.00 H new ATOM 0 HG SER A 43 -7.133 -7.135 -9.250 1.00 0.00 H new ATOM 85 N CYS A 44 -7.941 -2.290 -6.644 1.00 0.00 N ATOM 86 CA CYS A 44 -8.048 -0.819 -6.822 1.00 0.00 C ATOM 87 C CYS A 44 -7.030 -0.313 -7.836 1.00 0.00 C ATOM 88 O CYS A 44 -5.887 -0.728 -7.832 1.00 0.00 O ATOM 89 CB CYS A 44 -7.768 -0.152 -5.470 1.00 0.00 C ATOM 90 SG CYS A 44 -7.437 1.626 -5.471 1.00 0.00 S ATOM 0 H CYS A 44 -7.958 -2.616 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.047 -0.578 -7.186 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.624 -0.335 -4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.912 -0.654 -5.018 1.00 0.00 H new ATOM 95 N ASP A 45 -7.471 0.584 -8.692 1.00 0.00 N ATOM 96 CA ASP A 45 -6.557 1.154 -9.734 1.00 0.00 C ATOM 97 C ASP A 45 -6.468 2.668 -9.593 1.00 0.00 C ATOM 98 O ASP A 45 -6.577 3.391 -10.562 1.00 0.00 O ATOM 99 CB ASP A 45 -7.143 0.824 -11.116 1.00 0.00 C ATOM 100 CG ASP A 45 -7.463 -0.671 -11.187 1.00 0.00 C ATOM 101 OD1 ASP A 45 -8.428 -1.050 -10.545 1.00 0.00 O ATOM 102 OD2 ASP A 45 -6.722 -1.350 -11.881 1.00 0.00 O ATOM 0 H ASP A 45 -8.425 0.945 -8.712 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.561 0.728 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.046 1.409 -11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.433 1.093 -11.898 1.00 0.00 H new ATOM 107 N HIS A 46 -6.269 3.120 -8.384 1.00 0.00 N ATOM 108 CA HIS A 46 -6.170 4.580 -8.162 1.00 0.00 C ATOM 109 C HIS A 46 -4.817 5.099 -8.721 1.00 0.00 C ATOM 110 O HIS A 46 -3.819 4.412 -8.628 1.00 0.00 O ATOM 111 CB HIS A 46 -6.242 4.813 -6.623 1.00 0.00 C ATOM 112 CG HIS A 46 -5.688 6.195 -6.250 1.00 0.00 C ATOM 113 ND1 HIS A 46 -6.377 7.227 -6.097 1.00 0.00 N ATOM 114 CD2 HIS A 46 -4.388 6.581 -6.000 1.00 0.00 C ATOM 115 CE1 HIS A 46 -5.658 8.222 -5.780 1.00 0.00 C ATOM 116 NE2 HIS A 46 -4.366 7.908 -5.693 1.00 0.00 N ATOM 0 H HIS A 46 -6.172 2.541 -7.550 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.974 5.113 -8.669 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.275 4.729 -6.287 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.675 4.038 -6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.524 5.934 -6.041 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.049 9.213 -5.601 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.571 8.503 -5.459 1.00 0.00 H new ATOM 124 N PRO A 47 -4.797 6.309 -9.297 1.00 0.00 N ATOM 125 CA PRO A 47 -3.557 6.853 -9.844 1.00 0.00 C ATOM 126 C PRO A 47 -2.392 6.695 -8.859 1.00 0.00 C ATOM 127 O PRO A 47 -2.242 7.473 -7.937 1.00 0.00 O ATOM 128 CB PRO A 47 -3.863 8.362 -10.111 1.00 0.00 C ATOM 129 CG PRO A 47 -5.404 8.562 -9.894 1.00 0.00 C ATOM 130 CD PRO A 47 -5.974 7.198 -9.418 1.00 0.00 C ATOM 0 HA PRO A 47 -3.252 6.328 -10.749 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.292 8.997 -9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.577 8.640 -11.125 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.592 9.339 -9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.886 8.880 -10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.492 7.298 -8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.696 6.802 -10.132 1.00 0.00 H new ATOM 138 N GLY A 48 -1.589 5.682 -9.081 1.00 0.00 N ATOM 139 CA GLY A 48 -0.421 5.444 -8.176 1.00 0.00 C ATOM 140 C GLY A 48 -0.800 4.508 -7.024 1.00 0.00 C ATOM 141 O GLY A 48 -0.756 4.894 -5.872 1.00 0.00 O ATOM 0 H GLY A 48 -1.691 5.014 -9.845 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.402 5.011 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.067 6.394 -7.776 1.00 0.00 H new ATOM 145 N CYS A 49 -1.170 3.288 -7.357 1.00 0.00 N ATOM 146 CA CYS A 49 -1.555 2.310 -6.289 1.00 0.00 C ATOM 147 C CYS A 49 -1.016 0.925 -6.597 1.00 0.00 C ATOM 148 O CYS A 49 -0.651 0.626 -7.717 1.00 0.00 O ATOM 149 CB CYS A 49 -3.083 2.218 -6.227 1.00 0.00 C ATOM 150 SG CYS A 49 -3.781 1.039 -5.042 1.00 0.00 S ATOM 0 H CYS A 49 -1.221 2.933 -8.312 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.138 2.656 -5.343 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.474 3.208 -5.992 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.449 1.958 -7.220 1.00 0.00 H new ATOM 155 N ASP A 50 -0.976 0.103 -5.589 1.00 0.00 N ATOM 156 CA ASP A 50 -0.467 -1.275 -5.783 1.00 0.00 C ATOM 157 C ASP A 50 -0.855 -2.160 -4.605 1.00 0.00 C ATOM 158 O ASP A 50 -0.255 -3.192 -4.377 1.00 0.00 O ATOM 159 CB ASP A 50 1.064 -1.218 -5.872 1.00 0.00 C ATOM 160 CG ASP A 50 1.611 -0.447 -4.669 1.00 0.00 C ATOM 161 OD1 ASP A 50 1.096 0.636 -4.441 1.00 0.00 O ATOM 162 OD2 ASP A 50 2.510 -0.985 -4.045 1.00 0.00 O ATOM 0 H ASP A 50 -1.274 0.328 -4.640 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.897 -1.691 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.477 -2.227 -5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.368 -0.732 -6.799 1.00 0.00 H new ATOM 167 N LYS A 51 -1.862 -1.739 -3.872 1.00 0.00 N ATOM 168 CA LYS A 51 -2.313 -2.541 -2.696 1.00 0.00 C ATOM 169 C LYS A 51 -3.461 -3.470 -3.083 1.00 0.00 C ATOM 170 O LYS A 51 -4.617 -3.136 -2.918 1.00 0.00 O ATOM 171 CB LYS A 51 -2.801 -1.560 -1.606 1.00 0.00 C ATOM 172 CG LYS A 51 -2.822 -2.268 -0.241 1.00 0.00 C ATOM 173 CD LYS A 51 -2.978 -1.220 0.864 1.00 0.00 C ATOM 174 CE LYS A 51 -2.860 -1.906 2.226 1.00 0.00 C ATOM 175 NZ LYS A 51 -3.944 -2.914 2.397 1.00 0.00 N ATOM 0 H LYS A 51 -2.385 -0.880 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.485 -3.150 -2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.144 -0.691 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.798 -1.195 -1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.644 -2.982 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.901 -2.833 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.212 -0.451 0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.944 -0.722 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.887 -2.391 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.918 -1.162 3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.448 -2.734 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.611 -2.845 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.530 -3.868 2.420 1.00 0.00 H new ATOM 189 N ALA A 52 -3.119 -4.619 -3.594 1.00 0.00 N ATOM 190 CA ALA A 52 -4.174 -5.579 -3.997 1.00 0.00 C ATOM 191 C ALA A 52 -5.026 -5.982 -2.805 1.00 0.00 C ATOM 192 O ALA A 52 -4.650 -5.780 -1.668 1.00 0.00 O ATOM 193 CB ALA A 52 -3.497 -6.832 -4.568 1.00 0.00 C ATOM 0 H ALA A 52 -2.160 -4.931 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.817 -5.108 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.258 -7.551 -4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.893 -6.557 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.858 -7.279 -3.807 1.00 0.00 H new ATOM 199 N PHE A 53 -6.168 -6.548 -3.092 1.00 0.00 N ATOM 200 CA PHE A 53 -7.084 -6.984 -1.993 1.00 0.00 C ATOM 201 C PHE A 53 -7.812 -8.264 -2.379 1.00 0.00 C ATOM 202 O PHE A 53 -7.612 -8.798 -3.448 1.00 0.00 O ATOM 203 CB PHE A 53 -8.128 -5.873 -1.774 1.00 0.00 C ATOM 204 CG PHE A 53 -7.506 -4.743 -0.953 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.433 -4.831 0.426 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.015 -3.609 -1.581 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.881 -3.802 1.163 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.466 -2.584 -0.841 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.400 -2.680 0.529 1.00 0.00 C ATOM 0 H PHE A 53 -6.507 -6.728 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.503 -7.168 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.475 -5.491 -2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.000 -6.275 -1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.810 -5.709 0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.063 -3.528 -2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.827 -3.878 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.087 -1.703 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.971 -1.875 1.107 1.00 0.00 H new ATOM 219 N VAL A 54 -8.655 -8.729 -1.489 1.00 0.00 N ATOM 220 CA VAL A 54 -9.425 -9.979 -1.762 1.00 0.00 C ATOM 221 C VAL A 54 -10.884 -9.783 -1.374 1.00 0.00 C ATOM 222 O VAL A 54 -11.779 -10.278 -2.031 1.00 0.00 O ATOM 223 CB VAL A 54 -8.836 -11.110 -0.902 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.529 -12.430 -1.257 1.00 0.00 C ATOM 225 CG2 VAL A 54 -7.338 -11.232 -1.195 1.00 0.00 C ATOM 0 H VAL A 54 -8.842 -8.295 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.361 -10.224 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.990 -10.889 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.114 -13.234 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.598 -12.343 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.369 -12.653 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.913 -12.032 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.191 -11.459 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.842 -10.292 -0.954 1.00 0.00 H new ATOM 235 N ARG A 55 -11.097 -9.057 -0.302 1.00 0.00 N ATOM 236 CA ARG A 55 -12.492 -8.805 0.160 1.00 0.00 C ATOM 237 C ARG A 55 -13.051 -7.544 -0.488 1.00 0.00 C ATOM 238 O ARG A 55 -12.420 -6.950 -1.339 1.00 0.00 O ATOM 239 CB ARG A 55 -12.465 -8.602 1.682 1.00 0.00 C ATOM 240 CG ARG A 55 -11.940 -9.876 2.351 1.00 0.00 C ATOM 241 CD ARG A 55 -12.242 -9.818 3.851 1.00 0.00 C ATOM 242 NE ARG A 55 -13.696 -10.073 4.063 1.00 0.00 N ATOM 243 CZ ARG A 55 -14.159 -11.285 3.924 1.00 0.00 C ATOM 244 NH1 ARG A 55 -13.744 -12.216 4.738 1.00 0.00 N ATOM 245 NH2 ARG A 55 -15.023 -11.525 2.976 1.00 0.00 N ATOM 0 H ARG A 55 -10.366 -8.631 0.268 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.120 -9.652 -0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.829 -7.755 1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.465 -8.371 2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.409 -10.754 1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.867 -9.971 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.648 -10.560 4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.968 -8.842 4.253 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.322 -9.308 4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.068 -11.991 5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.095 -13.169 4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.325 -10.771 2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.396 -12.466 2.852 1.00 0.00 H new ATOM 259 N ASN A 56 -14.231 -7.154 -0.072 1.00 0.00 N ATOM 260 CA ASN A 56 -14.858 -5.925 -0.655 1.00 0.00 C ATOM 261 C ASN A 56 -14.644 -4.722 0.249 1.00 0.00 C ATOM 262 O ASN A 56 -14.008 -3.761 -0.134 1.00 0.00 O ATOM 263 CB ASN A 56 -16.368 -6.170 -0.786 1.00 0.00 C ATOM 264 CG ASN A 56 -17.034 -4.920 -1.367 1.00 0.00 C ATOM 265 OD1 ASN A 56 -18.154 -4.589 -1.035 1.00 0.00 O ATOM 266 ND2 ASN A 56 -16.379 -4.199 -2.237 1.00 0.00 N ATOM 0 H ASN A 56 -14.785 -7.629 0.641 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.401 -5.722 -1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.554 -7.029 -1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.796 -6.405 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.809 -3.363 -2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.438 -4.472 -2.520 1.00 0.00 H new ATOM 273 N HIS A 57 -15.182 -4.796 1.439 1.00 0.00 N ATOM 274 CA HIS A 57 -15.023 -3.663 2.388 1.00 0.00 C ATOM 275 C HIS A 57 -13.599 -3.127 2.374 1.00 0.00 C ATOM 276 O HIS A 57 -13.389 -1.937 2.325 1.00 0.00 O ATOM 277 CB HIS A 57 -15.349 -4.167 3.801 1.00 0.00 C ATOM 278 CG HIS A 57 -16.689 -4.905 3.779 1.00 0.00 C ATOM 279 ND1 HIS A 57 -16.832 -6.120 3.524 1.00 0.00 N ATOM 280 CD2 HIS A 57 -17.963 -4.427 4.020 1.00 0.00 C ATOM 281 CE1 HIS A 57 -18.051 -6.466 3.578 1.00 0.00 C ATOM 282 NE2 HIS A 57 -18.854 -5.449 3.889 1.00 0.00 N ATOM 0 H HIS A 57 -15.721 -5.588 1.790 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.695 -2.858 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.560 -4.832 4.153 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.394 -3.329 4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -18.212 -3.407 4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -18.399 -7.471 3.393 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -19.868 -5.439 4.000 1.00 0.00 H new ATOM 290 N ASP A 58 -12.641 -4.013 2.417 1.00 0.00 N ATOM 291 CA ASP A 58 -11.232 -3.549 2.405 1.00 0.00 C ATOM 292 C ASP A 58 -11.021 -2.532 1.291 1.00 0.00 C ATOM 293 O ASP A 58 -10.416 -1.500 1.496 1.00 0.00 O ATOM 294 CB ASP A 58 -10.318 -4.758 2.158 1.00 0.00 C ATOM 295 CG ASP A 58 -10.603 -5.833 3.211 1.00 0.00 C ATOM 296 OD1 ASP A 58 -11.766 -5.965 3.550 1.00 0.00 O ATOM 297 OD2 ASP A 58 -9.639 -6.460 3.617 1.00 0.00 O ATOM 0 H ASP A 58 -12.773 -5.023 2.459 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.998 -3.081 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.488 -5.158 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.272 -4.454 2.206 1.00 0.00 H new ATOM 302 N LEU A 59 -11.531 -2.845 0.129 1.00 0.00 N ATOM 303 CA LEU A 59 -11.377 -1.910 -1.015 1.00 0.00 C ATOM 304 C LEU A 59 -12.100 -0.600 -0.709 1.00 0.00 C ATOM 305 O LEU A 59 -11.613 0.467 -1.012 1.00 0.00 O ATOM 306 CB LEU A 59 -12.014 -2.591 -2.268 1.00 0.00 C ATOM 307 CG LEU A 59 -11.241 -2.207 -3.553 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.282 -0.679 -3.735 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.757 -2.708 -3.467 1.00 0.00 C ATOM 0 H LEU A 59 -12.044 -3.703 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.325 -1.688 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.006 -3.674 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.057 -2.289 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.712 -2.684 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.738 -0.406 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.318 -0.350 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.819 -0.197 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.226 -2.431 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.267 -2.250 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.745 -3.792 -3.356 1.00 0.00 H new ATOM 321 N ILE A 60 -13.245 -0.709 -0.096 1.00 0.00 N ATOM 322 CA ILE A 60 -14.008 0.515 0.236 1.00 0.00 C ATOM 323 C ILE A 60 -13.263 1.362 1.257 1.00 0.00 C ATOM 324 O ILE A 60 -13.177 2.566 1.123 1.00 0.00 O ATOM 325 CB ILE A 60 -15.357 0.102 0.824 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.997 -0.963 -0.062 1.00 0.00 C ATOM 327 CG2 ILE A 60 -16.279 1.338 0.857 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.407 -1.280 0.454 1.00 0.00 C ATOM 0 H ILE A 60 -13.679 -1.588 0.186 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.142 1.105 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.214 -0.296 1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.046 -0.612 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.387 -1.866 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -17.247 1.059 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.827 2.113 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.416 1.717 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.864 -2.041 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -17.345 -1.649 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -18.015 -0.376 0.430 1.00 0.00 H new ATOM 340 N ARG A 61 -12.737 0.721 2.262 1.00 0.00 N ATOM 341 CA ARG A 61 -11.997 1.479 3.295 1.00 0.00 C ATOM 342 C ARG A 61 -10.623 1.872 2.767 1.00 0.00 C ATOM 343 O ARG A 61 -10.036 2.839 3.210 1.00 0.00 O ATOM 344 CB ARG A 61 -11.835 0.578 4.545 1.00 0.00 C ATOM 345 CG ARG A 61 -11.676 1.465 5.793 1.00 0.00 C ATOM 346 CD ARG A 61 -11.617 0.584 7.051 1.00 0.00 C ATOM 347 NE ARG A 61 -10.220 0.099 7.237 1.00 0.00 N ATOM 348 CZ ARG A 61 -9.867 -0.408 8.388 1.00 0.00 C ATOM 349 NH1 ARG A 61 -10.749 -1.075 9.081 1.00 0.00 N ATOM 350 NH2 ARG A 61 -8.644 -0.231 8.806 1.00 0.00 N ATOM 0 H ARG A 61 -12.789 -0.287 2.409 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.546 2.385 3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.703 -0.072 4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.965 -0.069 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.768 2.063 5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.511 2.162 5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.938 1.152 7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.299 -0.261 6.952 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.547 0.162 6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.696 -1.193 8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.491 -1.478 9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.982 0.296 8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.350 -0.619 9.702 1.00 0.00 H new ATOM 364 N HIS A 62 -10.134 1.107 1.825 1.00 0.00 N ATOM 365 CA HIS A 62 -8.805 1.414 1.251 1.00 0.00 C ATOM 366 C HIS A 62 -8.914 2.586 0.264 1.00 0.00 C ATOM 367 O HIS A 62 -7.986 3.355 0.112 1.00 0.00 O ATOM 368 CB HIS A 62 -8.289 0.148 0.520 1.00 0.00 C ATOM 369 CG HIS A 62 -7.177 0.515 -0.470 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.956 0.509 -0.215 1.00 0.00 N ATOM 371 CD2 HIS A 62 -7.284 0.964 -1.766 1.00 0.00 C ATOM 372 CE1 HIS A 62 -5.273 0.913 -1.204 1.00 0.00 C ATOM 373 NE2 HIS A 62 -6.039 1.234 -2.250 1.00 0.00 N ATOM 0 H HIS A 62 -10.601 0.288 1.435 1.00 0.00 H new ATOM 0 HA HIS A 62 -8.112 1.699 2.042 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.913 -0.571 1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -9.111 -0.334 -0.010 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.557 0.216 0.677 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.208 1.083 -2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.196 0.989 -1.201 1.00 0.00 H new ATOM 381 N LYS A 63 -10.050 2.698 -0.388 1.00 0.00 N ATOM 382 CA LYS A 63 -10.221 3.810 -1.358 1.00 0.00 C ATOM 383 C LYS A 63 -10.390 5.141 -0.615 1.00 0.00 C ATOM 384 O LYS A 63 -10.060 6.191 -1.129 1.00 0.00 O ATOM 385 CB LYS A 63 -11.477 3.503 -2.261 1.00 0.00 C ATOM 386 CG LYS A 63 -12.744 4.237 -1.759 1.00 0.00 C ATOM 387 CD LYS A 63 -13.949 3.764 -2.582 1.00 0.00 C ATOM 388 CE LYS A 63 -15.125 4.717 -2.349 1.00 0.00 C ATOM 389 NZ LYS A 63 -15.179 5.143 -0.923 1.00 0.00 N ATOM 0 H LYS A 63 -10.850 2.074 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.336 3.894 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.267 3.802 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.661 2.429 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.905 4.030 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.619 5.315 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.693 3.736 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.225 2.750 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.025 5.591 -2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.058 4.225 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.133 5.494 -0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.957 4.333 -0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.485 5.900 -0.760 1.00 0.00 H new ATOM 403 N LYS A 64 -10.904 5.061 0.582 1.00 0.00 N ATOM 404 CA LYS A 64 -11.107 6.296 1.380 1.00 0.00 C ATOM 405 C LYS A 64 -9.798 6.742 2.030 1.00 0.00 C ATOM 406 O LYS A 64 -9.793 7.585 2.906 1.00 0.00 O ATOM 407 CB LYS A 64 -12.149 5.984 2.484 1.00 0.00 C ATOM 408 CG LYS A 64 -12.846 7.287 2.914 1.00 0.00 C ATOM 409 CD LYS A 64 -13.822 7.000 4.082 1.00 0.00 C ATOM 410 CE LYS A 64 -15.185 6.553 3.527 1.00 0.00 C ATOM 411 NZ LYS A 64 -15.991 5.897 4.595 1.00 0.00 N ATOM 0 H LYS A 64 -11.190 4.195 1.038 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.455 7.099 0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.885 5.270 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.659 5.521 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.103 8.023 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.389 7.715 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.411 6.225 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.944 7.894 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.724 7.414 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.038 5.862 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.908 5.601 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.481 5.064 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.147 6.568 5.374 1.00 0.00 H new ATOM 425 N SER A 65 -8.704 6.159 1.584 1.00 0.00 N ATOM 426 CA SER A 65 -7.363 6.522 2.154 1.00 0.00 C ATOM 427 C SER A 65 -6.504 7.237 1.117 1.00 0.00 C ATOM 428 O SER A 65 -5.610 7.986 1.459 1.00 0.00 O ATOM 429 CB SER A 65 -6.651 5.223 2.563 1.00 0.00 C ATOM 430 OG SER A 65 -7.408 4.746 3.666 1.00 0.00 O ATOM 0 H SER A 65 -8.683 5.449 0.852 1.00 0.00 H new ATOM 0 HA SER A 65 -7.507 7.186 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.638 4.501 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.613 5.408 2.842 1.00 0.00 H new ATOM 0 HG SER A 65 -8.151 4.197 3.340 1.00 0.00 H new ATOM 436 N HIS A 66 -6.789 6.997 -0.135 1.00 0.00 N ATOM 437 CA HIS A 66 -5.994 7.658 -1.201 1.00 0.00 C ATOM 438 C HIS A 66 -6.049 9.182 -1.054 1.00 0.00 C ATOM 439 O HIS A 66 -5.409 9.901 -1.797 1.00 0.00 O ATOM 440 CB HIS A 66 -6.587 7.246 -2.584 1.00 0.00 C ATOM 441 CG HIS A 66 -5.870 5.985 -3.094 1.00 0.00 C ATOM 442 ND1 HIS A 66 -4.665 5.932 -3.405 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.355 4.704 -3.279 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.328 4.764 -3.762 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.348 3.903 -3.712 1.00 0.00 N ATOM 0 H HIS A 66 -7.531 6.377 -0.460 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.953 7.345 -1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.656 7.057 -2.491 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.468 8.060 -3.300 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -4.029 6.729 -3.376 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.374 4.390 -3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.329 4.495 -4.072 1.00 0.00 H new ATOM 453 N GLN A 67 -6.808 9.645 -0.100 1.00 0.00 N ATOM 454 CA GLN A 67 -6.905 11.111 0.098 1.00 0.00 C ATOM 455 C GLN A 67 -5.531 11.695 0.414 1.00 0.00 C ATOM 456 O GLN A 67 -5.209 12.792 0.001 1.00 0.00 O ATOM 457 CB GLN A 67 -7.852 11.382 1.282 1.00 0.00 C ATOM 458 CG GLN A 67 -9.299 11.208 0.815 1.00 0.00 C ATOM 459 CD GLN A 67 -9.690 12.393 -0.070 1.00 0.00 C ATOM 460 OE1 GLN A 67 -8.939 13.335 -0.232 1.00 0.00 O ATOM 461 NE2 GLN A 67 -10.853 12.386 -0.662 1.00 0.00 N ATOM 0 H GLN A 67 -7.358 9.076 0.543 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.284 11.576 -0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.636 10.696 2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.699 12.392 1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.405 10.275 0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.966 11.146 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.488 11.598 -0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.127 13.168 -1.257 1.00 0.00 H new ATOM 470 N GLU A 68 -4.746 10.949 1.143 1.00 0.00 N ATOM 471 CA GLU A 68 -3.391 11.437 1.499 1.00 0.00 C ATOM 472 C GLU A 68 -3.450 12.850 2.069 1.00 0.00 C ATOM 473 O GLU A 68 -3.541 13.816 1.337 1.00 0.00 O ATOM 474 CB GLU A 68 -2.533 11.456 0.224 1.00 0.00 C ATOM 475 CG GLU A 68 -2.347 10.023 -0.279 1.00 0.00 C ATOM 476 CD GLU A 68 -1.411 10.029 -1.490 1.00 0.00 C ATOM 477 OE1 GLU A 68 -1.304 11.089 -2.086 1.00 0.00 O ATOM 478 OE2 GLU A 68 -0.856 8.975 -1.751 1.00 0.00 O ATOM 0 H GLU A 68 -4.987 10.026 1.505 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.964 10.776 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.013 12.064 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.564 11.910 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.932 9.399 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.311 9.593 -0.552 1.00 0.00 H new ATOM 485 N LYS A 69 -3.395 12.947 3.371 1.00 0.00 N ATOM 486 CA LYS A 69 -3.446 14.289 4.007 1.00 0.00 C ATOM 487 C LYS A 69 -2.933 14.228 5.440 1.00 0.00 C ATOM 488 O LYS A 69 -3.317 13.364 6.204 1.00 0.00 O ATOM 489 CB LYS A 69 -4.916 14.774 4.016 1.00 0.00 C ATOM 490 CG LYS A 69 -5.816 13.757 4.796 1.00 0.00 C ATOM 491 CD LYS A 69 -6.070 14.265 6.237 1.00 0.00 C ATOM 492 CE LYS A 69 -7.236 15.266 6.235 1.00 0.00 C ATOM 493 NZ LYS A 69 -7.404 15.871 7.587 1.00 0.00 N ATOM 0 H LYS A 69 -3.318 12.160 4.015 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.815 14.975 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.979 15.758 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.278 14.881 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.765 13.626 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.332 12.781 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.300 13.426 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.171 14.740 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.050 16.049 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.156 14.762 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.196 16.545 7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.602 15.122 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.531 16.369 7.855 1.00 0.00 H new ATOM 507 N ALA A 70 -2.070 15.146 5.778 1.00 0.00 N ATOM 508 CA ALA A 70 -1.519 15.159 7.156 1.00 0.00 C ATOM 509 C ALA A 70 -0.629 16.377 7.371 1.00 0.00 C ATOM 510 O ALA A 70 -0.182 16.904 6.366 1.00 0.00 O ATOM 511 CB ALA A 70 -0.677 13.889 7.351 1.00 0.00 C ATOM 512 OXT ALA A 70 -0.445 16.713 8.528 1.00 0.00 O ATOM 0 H ALA A 70 -1.726 15.882 5.162 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.342 15.198 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.262 13.879 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.306 13.010 7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.135 13.876 6.624 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.644 1.960 -4.073 1.00 0.00 ZN