USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 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= -0.245 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -17! C(o=-17!,f=-16!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.8!) USER MOD Single : A 57 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.28 (180deg=-1.4!) USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.183 (180deg=-1.17!) USER MOD Single : A 65 SER OG : rot 73:sc= 0.917 USER MOD Single : A 67 GLN : amide:sc= -0.852 K(o=-0.85,f=-2.4!) USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= -1.7! (180deg=-2.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -9.834 -14.522 -8.342 1.00 0.00 N ATOM 2 CA ASP A 39 -8.533 -14.658 -7.645 1.00 0.00 C ATOM 3 C ASP A 39 -8.125 -13.323 -7.031 1.00 0.00 C ATOM 4 O ASP A 39 -7.269 -12.634 -7.549 1.00 0.00 O ATOM 5 CB ASP A 39 -7.447 -15.092 -8.645 1.00 0.00 C ATOM 6 CG ASP A 39 -7.541 -14.228 -9.906 1.00 0.00 C ATOM 7 OD1 ASP A 39 -8.310 -13.281 -9.859 1.00 0.00 O ATOM 8 OD2 ASP A 39 -6.838 -14.564 -10.845 1.00 0.00 O ATOM 0 HA ASP A 39 -8.638 -15.407 -6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.460 -14.990 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.573 -16.144 -8.901 1.00 0.00 H new ATOM 15 N ARG A 40 -8.749 -12.982 -5.934 1.00 0.00 N ATOM 16 CA ARG A 40 -8.413 -11.695 -5.270 1.00 0.00 C ATOM 17 C ARG A 40 -8.345 -10.551 -6.295 1.00 0.00 C ATOM 18 O ARG A 40 -7.284 -10.031 -6.574 1.00 0.00 O ATOM 19 CB ARG A 40 -7.020 -11.839 -4.601 1.00 0.00 C ATOM 20 CG ARG A 40 -7.120 -12.718 -3.318 1.00 0.00 C ATOM 21 CD ARG A 40 -6.914 -14.203 -3.676 1.00 0.00 C ATOM 22 NE ARG A 40 -7.558 -15.046 -2.624 1.00 0.00 N ATOM 23 CZ ARG A 40 -7.882 -16.283 -2.898 1.00 0.00 C ATOM 24 NH1 ARG A 40 -6.945 -17.118 -3.259 1.00 0.00 N ATOM 25 NH2 ARG A 40 -9.134 -16.643 -2.801 1.00 0.00 N ATOM 0 H ARG A 40 -9.471 -13.537 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.184 -11.464 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.317 -12.288 -5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.629 -10.854 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.370 -12.403 -2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.094 -12.581 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.349 -14.420 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.850 -14.431 -3.743 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.744 -14.659 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.977 -16.802 -3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.181 -18.086 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.839 -15.964 -2.516 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.406 -17.603 -3.011 1.00 0.00 H new ATOM 39 N PRO A 41 -9.499 -10.178 -6.843 1.00 0.00 N ATOM 40 CA PRO A 41 -9.558 -9.102 -7.830 1.00 0.00 C ATOM 41 C PRO A 41 -9.322 -7.729 -7.177 1.00 0.00 C ATOM 42 O PRO A 41 -8.237 -7.194 -7.254 1.00 0.00 O ATOM 43 CB PRO A 41 -11.006 -9.184 -8.420 1.00 0.00 C ATOM 44 CG PRO A 41 -11.806 -10.195 -7.527 1.00 0.00 C ATOM 45 CD PRO A 41 -10.794 -10.817 -6.527 1.00 0.00 C ATOM 0 HA PRO A 41 -8.787 -9.211 -8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.482 -8.203 -8.414 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.982 -9.520 -9.457 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.611 -9.687 -6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.268 -10.969 -8.140 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.088 -10.622 -5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.739 -11.899 -6.644 1.00 0.00 H new ATOM 53 N TYR A 42 -10.375 -7.209 -6.549 1.00 0.00 N ATOM 54 CA TYR A 42 -10.321 -5.866 -5.853 1.00 0.00 C ATOM 55 C TYR A 42 -8.970 -5.192 -5.960 1.00 0.00 C ATOM 56 O TYR A 42 -8.255 -5.041 -4.991 1.00 0.00 O ATOM 57 CB TYR A 42 -10.666 -6.065 -4.370 1.00 0.00 C ATOM 58 CG TYR A 42 -12.128 -6.497 -4.248 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.144 -5.614 -4.554 1.00 0.00 C ATOM 60 CD2 TYR A 42 -12.453 -7.768 -3.826 1.00 0.00 C ATOM 61 CE1 TYR A 42 -14.464 -5.997 -4.441 1.00 0.00 C ATOM 62 CE2 TYR A 42 -13.773 -8.153 -3.712 1.00 0.00 C ATOM 63 CZ TYR A 42 -14.789 -7.270 -4.019 1.00 0.00 C ATOM 64 OH TYR A 42 -16.109 -7.656 -3.905 1.00 0.00 O ATOM 0 H TYR A 42 -11.283 -7.671 -6.492 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.041 -5.215 -6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.013 -6.819 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -10.500 -5.140 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.903 -4.615 -4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -11.668 -8.469 -3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.249 -5.296 -4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.013 -9.152 -3.380 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.153 -8.585 -3.596 1.00 0.00 H new ATOM 74 N SER A 43 -8.650 -4.809 -7.156 1.00 0.00 N ATOM 75 CA SER A 43 -7.342 -4.127 -7.407 1.00 0.00 C ATOM 76 C SER A 43 -7.547 -2.628 -7.566 1.00 0.00 C ATOM 77 O SER A 43 -7.634 -2.125 -8.668 1.00 0.00 O ATOM 78 CB SER A 43 -6.755 -4.681 -8.714 1.00 0.00 C ATOM 79 OG SER A 43 -5.440 -4.148 -8.758 1.00 0.00 O ATOM 0 H SER A 43 -9.236 -4.936 -7.981 1.00 0.00 H new ATOM 0 HA SER A 43 -6.673 -4.307 -6.566 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.743 -5.771 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.341 -4.368 -9.578 1.00 0.00 H new ATOM 0 HG SER A 43 -4.989 -4.458 -9.571 1.00 0.00 H new ATOM 85 N CYS A 44 -7.618 -1.934 -6.458 1.00 0.00 N ATOM 86 CA CYS A 44 -7.819 -0.466 -6.533 1.00 0.00 C ATOM 87 C CYS A 44 -6.880 0.159 -7.554 1.00 0.00 C ATOM 88 O CYS A 44 -5.694 -0.107 -7.555 1.00 0.00 O ATOM 89 CB CYS A 44 -7.511 0.137 -5.160 1.00 0.00 C ATOM 90 SG CYS A 44 -7.058 1.886 -5.111 1.00 0.00 S ATOM 0 H CYS A 44 -7.546 -2.321 -5.517 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.848 -0.267 -6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.386 -0.004 -4.525 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.698 -0.436 -4.714 1.00 0.00 H new ATOM 95 N ASP A 45 -7.432 0.985 -8.411 1.00 0.00 N ATOM 96 CA ASP A 45 -6.595 1.653 -9.455 1.00 0.00 C ATOM 97 C ASP A 45 -6.358 3.118 -9.102 1.00 0.00 C ATOM 98 O ASP A 45 -6.526 3.992 -9.928 1.00 0.00 O ATOM 99 CB ASP A 45 -7.356 1.582 -10.793 1.00 0.00 C ATOM 100 CG ASP A 45 -6.382 1.849 -11.941 1.00 0.00 C ATOM 101 OD1 ASP A 45 -5.656 2.822 -11.820 1.00 0.00 O ATOM 102 OD2 ASP A 45 -6.418 1.064 -12.874 1.00 0.00 O ATOM 0 H ASP A 45 -8.423 1.224 -8.432 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.630 1.151 -9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.816 0.601 -10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.162 2.316 -10.806 1.00 0.00 H new ATOM 107 N HIS A 46 -5.970 3.362 -7.877 1.00 0.00 N ATOM 108 CA HIS A 46 -5.721 4.754 -7.461 1.00 0.00 C ATOM 109 C HIS A 46 -4.412 5.258 -8.117 1.00 0.00 C ATOM 110 O HIS A 46 -3.464 4.505 -8.231 1.00 0.00 O ATOM 111 CB HIS A 46 -5.566 4.735 -5.926 1.00 0.00 C ATOM 112 CG HIS A 46 -5.044 6.075 -5.420 1.00 0.00 C ATOM 113 ND1 HIS A 46 -5.753 6.981 -4.942 1.00 0.00 N ATOM 114 CD2 HIS A 46 -3.752 6.545 -5.353 1.00 0.00 C ATOM 115 CE1 HIS A 46 -5.056 7.973 -4.577 1.00 0.00 C ATOM 116 NE2 HIS A 46 -3.757 7.789 -4.801 1.00 0.00 N ATOM 0 H HIS A 46 -5.818 2.655 -7.158 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.534 5.414 -7.763 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.527 4.515 -5.461 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.881 3.939 -5.635 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.874 6.011 -5.686 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.469 8.867 -4.134 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.974 8.414 -4.610 1.00 0.00 H new ATOM 124 N PRO A 47 -4.364 6.529 -8.545 1.00 0.00 N ATOM 125 CA PRO A 47 -3.155 7.053 -9.172 1.00 0.00 C ATOM 126 C PRO A 47 -1.898 6.628 -8.407 1.00 0.00 C ATOM 127 O PRO A 47 -1.556 7.203 -7.393 1.00 0.00 O ATOM 128 CB PRO A 47 -3.336 8.601 -9.152 1.00 0.00 C ATOM 129 CG PRO A 47 -4.833 8.876 -8.775 1.00 0.00 C ATOM 130 CD PRO A 47 -5.464 7.509 -8.397 1.00 0.00 C ATOM 0 HA PRO A 47 -3.022 6.670 -10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.664 9.060 -8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.097 9.031 -10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.899 9.575 -7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.365 9.328 -9.612 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.849 7.520 -7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.301 7.266 -9.051 1.00 0.00 H new ATOM 138 N GLY A 48 -1.237 5.618 -8.920 1.00 0.00 N ATOM 139 CA GLY A 48 0.003 5.126 -8.250 1.00 0.00 C ATOM 140 C GLY A 48 -0.350 4.133 -7.141 1.00 0.00 C ATOM 141 O GLY A 48 -0.179 4.419 -5.973 1.00 0.00 O ATOM 0 H GLY A 48 -1.502 5.117 -9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.654 4.648 -8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.556 5.967 -7.832 1.00 0.00 H new ATOM 145 N CYS A 49 -0.839 2.977 -7.530 1.00 0.00 N ATOM 146 CA CYS A 49 -1.206 1.959 -6.509 1.00 0.00 C ATOM 147 C CYS A 49 -1.156 0.553 -7.076 1.00 0.00 C ATOM 148 O CYS A 49 -1.084 0.354 -8.272 1.00 0.00 O ATOM 149 CB CYS A 49 -2.636 2.231 -6.043 1.00 0.00 C ATOM 150 SG CYS A 49 -3.348 1.072 -4.844 1.00 0.00 S ATOM 0 H CYS A 49 -0.996 2.703 -8.500 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.493 2.029 -5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.666 3.230 -5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.281 2.248 -6.922 1.00 0.00 H new ATOM 155 N ASP A 50 -1.194 -0.393 -6.190 1.00 0.00 N ATOM 156 CA ASP A 50 -1.153 -1.809 -6.613 1.00 0.00 C ATOM 157 C ASP A 50 -1.453 -2.709 -5.421 1.00 0.00 C ATOM 158 O ASP A 50 -1.044 -3.851 -5.379 1.00 0.00 O ATOM 159 CB ASP A 50 0.255 -2.125 -7.137 1.00 0.00 C ATOM 160 CG ASP A 50 1.294 -1.572 -6.160 1.00 0.00 C ATOM 161 OD1 ASP A 50 0.974 -1.558 -4.983 1.00 0.00 O ATOM 162 OD2 ASP A 50 2.348 -1.197 -6.645 1.00 0.00 O ATOM 0 H ASP A 50 -1.252 -0.244 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.895 -1.982 -7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.381 -3.202 -7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.396 -1.684 -8.124 1.00 0.00 H new ATOM 167 N LYS A 51 -2.170 -2.163 -4.468 1.00 0.00 N ATOM 168 CA LYS A 51 -2.518 -2.953 -3.261 1.00 0.00 C ATOM 169 C LYS A 51 -3.704 -3.877 -3.531 1.00 0.00 C ATOM 170 O LYS A 51 -4.842 -3.514 -3.304 1.00 0.00 O ATOM 171 CB LYS A 51 -2.898 -1.965 -2.133 1.00 0.00 C ATOM 172 CG LYS A 51 -2.822 -2.683 -0.764 1.00 0.00 C ATOM 173 CD LYS A 51 -1.381 -2.617 -0.218 1.00 0.00 C ATOM 174 CE LYS A 51 -1.187 -3.707 0.843 1.00 0.00 C ATOM 175 NZ LYS A 51 0.196 -3.659 1.395 1.00 0.00 N ATOM 0 H LYS A 51 -2.525 -1.207 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.663 -3.567 -2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.223 -1.109 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.904 -1.580 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.509 -2.215 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.133 -3.722 -0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.666 -2.753 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.189 -1.635 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.910 -3.573 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.376 -4.687 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.310 -4.404 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.882 -3.810 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.364 -2.730 1.831 1.00 0.00 H new ATOM 189 N ALA A 52 -3.416 -5.058 -4.011 1.00 0.00 N ATOM 190 CA ALA A 52 -4.513 -6.014 -4.300 1.00 0.00 C ATOM 191 C ALA A 52 -5.317 -6.296 -3.044 1.00 0.00 C ATOM 192 O ALA A 52 -4.874 -6.025 -1.946 1.00 0.00 O ATOM 193 CB ALA A 52 -3.895 -7.327 -4.801 1.00 0.00 C ATOM 0 H ALA A 52 -2.475 -5.396 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.175 -5.585 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.688 -8.043 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.320 -7.136 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.238 -7.736 -4.034 1.00 0.00 H new ATOM 199 N PHE A 53 -6.491 -6.838 -3.224 1.00 0.00 N ATOM 200 CA PHE A 53 -7.348 -7.149 -2.043 1.00 0.00 C ATOM 201 C PHE A 53 -8.251 -8.349 -2.325 1.00 0.00 C ATOM 202 O PHE A 53 -8.471 -8.713 -3.464 1.00 0.00 O ATOM 203 CB PHE A 53 -8.239 -5.917 -1.769 1.00 0.00 C ATOM 204 CG PHE A 53 -7.453 -4.862 -0.980 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.172 -5.049 0.364 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.042 -3.690 -1.595 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.494 -4.079 1.076 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.366 -2.724 -0.878 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.094 -2.917 0.453 1.00 0.00 C ATOM 0 H PHE A 53 -6.892 -7.078 -4.131 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.713 -7.385 -1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.587 -5.493 -2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.124 -6.216 -1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.485 -5.958 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.252 -3.532 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.277 -4.232 2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.050 -1.814 -1.366 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.567 -2.158 1.012 1.00 0.00 H new ATOM 219 N VAL A 54 -8.756 -8.942 -1.267 1.00 0.00 N ATOM 220 CA VAL A 54 -9.658 -10.127 -1.418 1.00 0.00 C ATOM 221 C VAL A 54 -11.077 -9.735 -1.056 1.00 0.00 C ATOM 222 O VAL A 54 -12.012 -10.015 -1.780 1.00 0.00 O ATOM 223 CB VAL A 54 -9.172 -11.229 -0.456 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.218 -10.728 0.997 1.00 0.00 C ATOM 225 CG2 VAL A 54 -10.070 -12.464 -0.601 1.00 0.00 C ATOM 0 H VAL A 54 -8.581 -8.654 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.639 -10.485 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.144 -11.489 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.872 -11.517 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.573 -9.855 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.241 -10.456 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.728 -13.244 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.098 -12.197 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.023 -12.830 -1.627 1.00 0.00 H new ATOM 235 N ARG A 55 -11.208 -9.090 0.064 1.00 0.00 N ATOM 236 CA ARG A 55 -12.558 -8.650 0.519 1.00 0.00 C ATOM 237 C ARG A 55 -12.886 -7.279 -0.075 1.00 0.00 C ATOM 238 O ARG A 55 -12.004 -6.479 -0.315 1.00 0.00 O ATOM 239 CB ARG A 55 -12.541 -8.548 2.072 1.00 0.00 C ATOM 240 CG ARG A 55 -12.924 -9.909 2.677 1.00 0.00 C ATOM 241 CD ARG A 55 -12.501 -9.953 4.151 1.00 0.00 C ATOM 242 NE ARG A 55 -11.042 -10.252 4.229 1.00 0.00 N ATOM 243 CZ ARG A 55 -10.538 -10.711 5.344 1.00 0.00 C ATOM 244 NH1 ARG A 55 -11.179 -11.648 5.987 1.00 0.00 N ATOM 245 NH2 ARG A 55 -9.409 -10.219 5.776 1.00 0.00 N ATOM 0 H ARG A 55 -10.439 -8.846 0.688 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.312 -9.366 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.551 -8.250 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.239 -7.780 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.999 -10.067 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.439 -10.714 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.716 -8.999 4.633 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.070 -10.715 4.683 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.442 -10.099 3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.058 -12.010 5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.801 -12.018 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.935 -9.488 5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.001 -10.565 6.644 1.00 0.00 H new ATOM 259 N ASN A 56 -14.145 -7.034 -0.301 1.00 0.00 N ATOM 260 CA ASN A 56 -14.539 -5.726 -0.878 1.00 0.00 C ATOM 261 C ASN A 56 -14.295 -4.593 0.113 1.00 0.00 C ATOM 262 O ASN A 56 -13.594 -3.650 -0.185 1.00 0.00 O ATOM 263 CB ASN A 56 -16.037 -5.773 -1.216 1.00 0.00 C ATOM 264 CG ASN A 56 -16.381 -4.602 -2.138 1.00 0.00 C ATOM 265 OD1 ASN A 56 -15.527 -3.829 -2.526 1.00 0.00 O ATOM 266 ND2 ASN A 56 -17.621 -4.434 -2.515 1.00 0.00 N ATOM 0 H ASN A 56 -14.912 -7.679 -0.112 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.941 -5.541 -1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.283 -6.718 -1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.630 -5.719 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -17.866 -3.659 -3.131 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.343 -5.078 -2.194 1.00 0.00 H new ATOM 273 N HIS A 57 -14.879 -4.715 1.281 1.00 0.00 N ATOM 274 CA HIS A 57 -14.701 -3.654 2.319 1.00 0.00 C ATOM 275 C HIS A 57 -13.269 -3.126 2.346 1.00 0.00 C ATOM 276 O HIS A 57 -13.052 -1.931 2.349 1.00 0.00 O ATOM 277 CB HIS A 57 -15.038 -4.266 3.690 1.00 0.00 C ATOM 278 CG HIS A 57 -16.259 -5.178 3.548 1.00 0.00 C ATOM 279 ND1 HIS A 57 -16.267 -6.404 3.787 1.00 0.00 N ATOM 280 CD2 HIS A 57 -17.547 -4.872 3.150 1.00 0.00 C ATOM 281 CE1 HIS A 57 -17.411 -6.911 3.586 1.00 0.00 C ATOM 282 NE2 HIS A 57 -18.302 -6.006 3.175 1.00 0.00 N ATOM 0 H HIS A 57 -15.468 -5.500 1.558 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.360 -2.818 2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.187 -4.833 4.067 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.241 -3.477 4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -17.898 -3.891 2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -17.639 -7.957 3.731 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -19.287 -6.130 2.942 1.00 0.00 H new ATOM 290 N ASP A 58 -12.312 -4.018 2.368 1.00 0.00 N ATOM 291 CA ASP A 58 -10.896 -3.558 2.394 1.00 0.00 C ATOM 292 C ASP A 58 -10.689 -2.470 1.350 1.00 0.00 C ATOM 293 O ASP A 58 -10.034 -1.483 1.594 1.00 0.00 O ATOM 294 CB ASP A 58 -9.988 -4.749 2.048 1.00 0.00 C ATOM 295 CG ASP A 58 -10.324 -5.931 2.962 1.00 0.00 C ATOM 296 OD1 ASP A 58 -11.319 -5.813 3.658 1.00 0.00 O ATOM 297 OD2 ASP A 58 -9.567 -6.886 2.910 1.00 0.00 O ATOM 0 H ASP A 58 -12.448 -5.029 2.369 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.657 -3.165 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.124 -5.033 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.941 -4.469 2.168 1.00 0.00 H new ATOM 302 N LEU A 59 -11.276 -2.686 0.208 1.00 0.00 N ATOM 303 CA LEU A 59 -11.160 -1.705 -0.904 1.00 0.00 C ATOM 304 C LEU A 59 -11.841 -0.387 -0.521 1.00 0.00 C ATOM 305 O LEU A 59 -11.414 0.672 -0.933 1.00 0.00 O ATOM 306 CB LEU A 59 -11.885 -2.349 -2.139 1.00 0.00 C ATOM 307 CG LEU A 59 -11.113 -2.082 -3.445 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.077 -0.577 -3.695 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.659 -2.655 -3.353 1.00 0.00 C ATOM 0 H LEU A 59 -11.838 -3.510 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.117 -1.483 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.983 -3.424 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.894 -1.945 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.616 -2.580 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.533 -0.374 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.095 -0.198 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.577 -0.082 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.130 -2.456 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.131 -2.177 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.702 -3.731 -3.182 1.00 0.00 H new ATOM 321 N ILE A 60 -12.893 -0.477 0.255 1.00 0.00 N ATOM 322 CA ILE A 60 -13.594 0.766 0.662 1.00 0.00 C ATOM 323 C ILE A 60 -12.754 1.509 1.695 1.00 0.00 C ATOM 324 O ILE A 60 -12.606 2.714 1.629 1.00 0.00 O ATOM 325 CB ILE A 60 -14.973 0.387 1.267 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.966 0.100 0.144 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.523 1.579 2.094 1.00 0.00 C ATOM 328 CD1 ILE A 60 -15.375 -0.939 -0.811 1.00 0.00 C ATOM 0 H ILE A 60 -13.287 -1.346 0.616 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.741 1.414 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.848 -0.492 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.905 -0.266 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -16.194 1.018 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.491 1.312 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.827 1.815 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -15.638 2.449 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -16.086 -1.143 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -14.448 -0.556 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.170 -1.860 -0.265 1.00 0.00 H new ATOM 340 N ARG A 61 -12.224 0.776 2.630 1.00 0.00 N ATOM 341 CA ARG A 61 -11.394 1.420 3.668 1.00 0.00 C ATOM 342 C ARG A 61 -10.058 1.835 3.076 1.00 0.00 C ATOM 343 O ARG A 61 -9.456 2.802 3.499 1.00 0.00 O ATOM 344 CB ARG A 61 -11.150 0.404 4.800 1.00 0.00 C ATOM 345 CG ARG A 61 -10.646 1.147 6.044 1.00 0.00 C ATOM 346 CD ARG A 61 -10.028 0.142 7.021 1.00 0.00 C ATOM 347 NE ARG A 61 -10.806 -1.127 6.970 1.00 0.00 N ATOM 348 CZ ARG A 61 -10.286 -2.215 7.468 1.00 0.00 C ATOM 349 NH1 ARG A 61 -9.534 -2.125 8.531 1.00 0.00 N ATOM 350 NH2 ARG A 61 -10.534 -3.357 6.886 1.00 0.00 N ATOM 0 H ARG A 61 -12.331 -0.235 2.717 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.905 2.303 4.052 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.071 -0.131 5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.419 -0.341 4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.907 1.896 5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.469 1.677 6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.986 -0.045 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.035 0.547 8.033 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.735 -1.145 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.362 -1.215 8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.119 -2.965 8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.126 -3.388 6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.136 -4.218 7.261 1.00 0.00 H new ATOM 364 N HIS A 62 -9.618 1.087 2.094 1.00 0.00 N ATOM 365 CA HIS A 62 -8.324 1.405 1.446 1.00 0.00 C ATOM 366 C HIS A 62 -8.495 2.556 0.481 1.00 0.00 C ATOM 367 O HIS A 62 -7.682 3.460 0.444 1.00 0.00 O ATOM 368 CB HIS A 62 -7.834 0.129 0.707 1.00 0.00 C ATOM 369 CG HIS A 62 -6.726 0.472 -0.273 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.503 0.327 -0.062 1.00 0.00 N ATOM 371 CD2 HIS A 62 -6.827 1.014 -1.526 1.00 0.00 C ATOM 372 CE1 HIS A 62 -4.815 0.728 -1.047 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.576 1.196 -2.036 1.00 0.00 N ATOM 0 H HIS A 62 -10.104 0.272 1.719 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.586 1.707 2.190 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.473 -0.601 1.431 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.666 -0.333 0.176 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.109 -0.064 0.794 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.750 1.258 -2.030 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.736 0.695 -1.081 1.00 0.00 H new ATOM 381 N LYS A 63 -9.541 2.517 -0.282 1.00 0.00 N ATOM 382 CA LYS A 63 -9.778 3.613 -1.249 1.00 0.00 C ATOM 383 C LYS A 63 -10.700 4.628 -0.609 1.00 0.00 C ATOM 384 O LYS A 63 -11.396 5.356 -1.289 1.00 0.00 O ATOM 385 CB LYS A 63 -10.446 3.029 -2.507 1.00 0.00 C ATOM 386 CG LYS A 63 -10.259 4.002 -3.693 1.00 0.00 C ATOM 387 CD LYS A 63 -11.320 3.710 -4.784 1.00 0.00 C ATOM 388 CE LYS A 63 -12.619 4.466 -4.466 1.00 0.00 C ATOM 389 NZ LYS A 63 -12.355 5.927 -4.341 1.00 0.00 N ATOM 0 H LYS A 63 -10.242 1.776 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.838 4.091 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.009 2.060 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.508 2.863 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.352 5.032 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.257 3.895 -4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.943 4.013 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.516 2.639 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.352 4.289 -5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.049 4.088 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.217 6.457 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.075 6.147 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.589 6.198 -4.990 1.00 0.00 H new ATOM 403 N LYS A 64 -10.703 4.665 0.732 1.00 0.00 N ATOM 404 CA LYS A 64 -11.588 5.652 1.444 1.00 0.00 C ATOM 405 C LYS A 64 -11.403 6.981 0.768 1.00 0.00 C ATOM 406 O LYS A 64 -12.224 7.875 0.826 1.00 0.00 O ATOM 407 CB LYS A 64 -11.129 5.729 2.946 1.00 0.00 C ATOM 408 CG LYS A 64 -12.337 5.524 3.878 1.00 0.00 C ATOM 409 CD LYS A 64 -13.238 6.757 3.815 1.00 0.00 C ATOM 410 CE LYS A 64 -14.563 6.444 4.515 1.00 0.00 C ATOM 411 NZ LYS A 64 -15.213 5.258 3.890 1.00 0.00 N ATOM 0 H LYS A 64 -10.141 4.065 1.336 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.638 5.361 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.374 4.968 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.666 6.696 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.895 4.636 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.998 5.359 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.750 7.605 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.418 7.039 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.386 6.254 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.227 7.306 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.235 5.282 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.051 5.275 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.807 4.388 4.290 1.00 0.00 H new ATOM 425 N SER A 65 -10.295 7.024 0.139 1.00 0.00 N ATOM 426 CA SER A 65 -9.832 8.194 -0.624 1.00 0.00 C ATOM 427 C SER A 65 -8.353 8.155 -0.521 1.00 0.00 C ATOM 428 O SER A 65 -7.697 9.173 -0.423 1.00 0.00 O ATOM 429 CB SER A 65 -10.360 9.505 0.019 1.00 0.00 C ATOM 430 OG SER A 65 -11.642 9.685 -0.566 1.00 0.00 O ATOM 0 H SER A 65 -9.640 6.242 0.118 1.00 0.00 H new ATOM 0 HA SER A 65 -10.185 8.170 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.425 9.419 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.702 10.347 -0.195 1.00 0.00 H new ATOM 0 HG SER A 65 -12.269 9.035 -0.186 1.00 0.00 H new ATOM 436 N HIS A 66 -7.822 6.927 -0.553 1.00 0.00 N ATOM 437 CA HIS A 66 -6.377 6.762 -0.447 1.00 0.00 C ATOM 438 C HIS A 66 -5.934 7.631 0.718 1.00 0.00 C ATOM 439 O HIS A 66 -4.840 8.161 0.765 1.00 0.00 O ATOM 440 CB HIS A 66 -5.734 7.180 -1.796 1.00 0.00 C ATOM 441 CG HIS A 66 -5.117 5.937 -2.461 1.00 0.00 C ATOM 442 ND1 HIS A 66 -3.917 5.808 -2.772 1.00 0.00 N ATOM 443 CD2 HIS A 66 -5.708 4.727 -2.767 1.00 0.00 C ATOM 444 CE1 HIS A 66 -3.682 4.649 -3.234 1.00 0.00 C ATOM 445 NE2 HIS A 66 -4.770 3.886 -3.265 1.00 0.00 N ATOM 0 H HIS A 66 -8.354 6.062 -0.648 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.070 5.733 -0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.485 7.624 -2.450 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -4.968 7.938 -1.630 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -3.214 6.540 -2.669 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.753 4.489 -2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -2.708 4.320 -3.565 1.00 0.00 H new ATOM 453 N GLN A 67 -6.869 7.735 1.650 1.00 0.00 N ATOM 454 CA GLN A 67 -6.672 8.525 2.868 1.00 0.00 C ATOM 455 C GLN A 67 -5.241 8.440 3.378 1.00 0.00 C ATOM 456 O GLN A 67 -4.376 9.170 2.936 1.00 0.00 O ATOM 457 CB GLN A 67 -7.650 7.953 3.927 1.00 0.00 C ATOM 458 CG GLN A 67 -7.705 6.412 3.801 1.00 0.00 C ATOM 459 CD GLN A 67 -8.178 5.803 5.128 1.00 0.00 C ATOM 460 OE1 GLN A 67 -9.018 4.925 5.157 1.00 0.00 O ATOM 461 NE2 GLN A 67 -7.662 6.241 6.245 1.00 0.00 N ATOM 0 H GLN A 67 -7.780 7.281 1.590 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.864 9.578 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.324 8.235 4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.645 8.376 3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.383 6.127 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.720 6.023 3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.957 6.978 6.227 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.964 5.846 7.136 1.00 0.00 H new ATOM 470 N GLU A 68 -5.017 7.552 4.292 1.00 0.00 N ATOM 471 CA GLU A 68 -3.643 7.405 4.846 1.00 0.00 C ATOM 472 C GLU A 68 -3.467 6.043 5.516 1.00 0.00 C ATOM 473 O GLU A 68 -4.430 5.374 5.832 1.00 0.00 O ATOM 474 CB GLU A 68 -3.429 8.522 5.896 1.00 0.00 C ATOM 475 CG GLU A 68 -1.926 8.792 6.065 1.00 0.00 C ATOM 476 CD GLU A 68 -1.385 9.483 4.809 1.00 0.00 C ATOM 477 OE1 GLU A 68 -2.201 9.756 3.944 1.00 0.00 O ATOM 478 OE2 GLU A 68 -0.184 9.702 4.789 1.00 0.00 O ATOM 0 H GLU A 68 -5.718 6.922 4.682 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.916 7.482 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.939 9.433 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.865 8.226 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.755 9.419 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.395 7.856 6.235 1.00 0.00 H new ATOM 485 N LYS A 69 -2.233 5.662 5.718 1.00 0.00 N ATOM 486 CA LYS A 69 -1.957 4.350 6.365 1.00 0.00 C ATOM 487 C LYS A 69 -0.627 4.394 7.109 1.00 0.00 C ATOM 488 O LYS A 69 0.424 4.450 6.502 1.00 0.00 O ATOM 489 CB LYS A 69 -1.874 3.282 5.263 1.00 0.00 C ATOM 490 CG LYS A 69 -1.503 1.936 5.889 1.00 0.00 C ATOM 491 CD LYS A 69 -1.721 0.823 4.858 1.00 0.00 C ATOM 492 CE LYS A 69 -0.906 1.134 3.600 1.00 0.00 C ATOM 493 NZ LYS A 69 0.423 1.700 3.967 1.00 0.00 N ATOM 0 H LYS A 69 -1.407 6.203 5.463 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.751 4.119 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.829 3.204 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.130 3.568 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.463 1.947 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.112 1.753 6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.418 -0.138 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.779 0.744 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.772 0.226 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.449 1.841 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.110 1.487 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.342 2.731 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.745 1.278 4.861 1.00 0.00 H new ATOM 507 N ALA A 70 -0.695 4.371 8.413 1.00 0.00 N ATOM 508 CA ALA A 70 0.557 4.411 9.208 1.00 0.00 C ATOM 509 C ALA A 70 0.301 4.002 10.654 1.00 0.00 C ATOM 510 O ALA A 70 -0.837 3.653 10.924 1.00 0.00 O ATOM 511 CB ALA A 70 1.094 5.851 9.192 1.00 0.00 C ATOM 512 OXT ALA A 70 1.256 4.059 11.410 1.00 0.00 O ATOM 0 H ALA A 70 -1.558 4.327 8.955 1.00 0.00 H new ATOM 0 HA ALA A 70 1.275 3.716 8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.016 5.902 9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.295 6.153 8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.353 6.521 9.629 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.171 2.010 -3.812 1.00 0.00 ZN