USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=7 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 USER MOD Single : A 43 SER OG : rot 62:sc= 1.2 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -5.23! C(o=-6.4!,f=-5.2!) USER MOD Single : A 51 LYS NZ :NH3+ 141:sc= -1.83 (180deg=-3.21!) USER MOD Single : A 56 ASN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -6.08! C(o=-6.1!,f=-5.9!) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= -3.68! (180deg=-7.61!) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.0693 (180deg=-0.572) USER MOD Single : A 65 SER OG : rot -94:sc= 0.458 USER MOD Single : A 67 GLN : amide:sc= -0.095 K(o=-0.095,f=-2.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -12.922 -16.232 -5.460 1.00 0.00 N ATOM 2 CA ASP A 39 -11.537 -15.830 -5.802 1.00 0.00 C ATOM 3 C ASP A 39 -11.110 -14.643 -4.937 1.00 0.00 C ATOM 4 O ASP A 39 -11.623 -14.446 -3.854 1.00 0.00 O ATOM 5 CB ASP A 39 -11.467 -15.418 -7.290 1.00 0.00 C ATOM 6 CG ASP A 39 -10.018 -15.513 -7.778 1.00 0.00 C ATOM 7 OD1 ASP A 39 -9.168 -15.682 -6.919 1.00 0.00 O ATOM 8 OD2 ASP A 39 -9.845 -15.409 -8.981 1.00 0.00 O ATOM 0 HA ASP A 39 -10.870 -16.673 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.107 -16.066 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.838 -14.401 -7.415 1.00 0.00 H new ATOM 15 N ARG A 40 -10.175 -13.872 -5.437 1.00 0.00 N ATOM 16 CA ARG A 40 -9.694 -12.686 -4.661 1.00 0.00 C ATOM 17 C ARG A 40 -9.274 -11.550 -5.612 1.00 0.00 C ATOM 18 O ARG A 40 -8.109 -11.244 -5.748 1.00 0.00 O ATOM 19 CB ARG A 40 -8.467 -13.126 -3.821 1.00 0.00 C ATOM 20 CG ARG A 40 -7.370 -13.730 -4.744 1.00 0.00 C ATOM 21 CD ARG A 40 -6.570 -14.793 -3.975 1.00 0.00 C ATOM 22 NE ARG A 40 -5.316 -15.090 -4.725 1.00 0.00 N ATOM 23 CZ ARG A 40 -4.659 -16.188 -4.466 1.00 0.00 C ATOM 24 NH1 ARG A 40 -5.139 -17.324 -4.889 1.00 0.00 N ATOM 25 NH2 ARG A 40 -3.541 -16.112 -3.795 1.00 0.00 N ATOM 0 H ARG A 40 -9.727 -14.011 -6.343 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.496 -12.321 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.064 -12.271 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.772 -13.862 -3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.829 -14.175 -5.627 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.703 -12.943 -5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.334 -14.435 -2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.163 -15.700 -3.858 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.975 -14.441 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.014 -17.345 -5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.640 -18.192 -4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.194 -15.205 -3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.014 -16.960 -3.584 1.00 0.00 H new ATOM 39 N PRO A 41 -10.259 -10.932 -6.253 1.00 0.00 N ATOM 40 CA PRO A 41 -10.001 -9.839 -7.186 1.00 0.00 C ATOM 41 C PRO A 41 -9.802 -8.484 -6.458 1.00 0.00 C ATOM 42 O PRO A 41 -8.708 -8.160 -6.042 1.00 0.00 O ATOM 43 CB PRO A 41 -11.284 -9.805 -8.074 1.00 0.00 C ATOM 44 CG PRO A 41 -12.399 -10.559 -7.271 1.00 0.00 C ATOM 45 CD PRO A 41 -11.682 -11.302 -6.110 1.00 0.00 C ATOM 0 HA PRO A 41 -9.084 -9.994 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.584 -8.778 -8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.104 -10.287 -9.035 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.139 -9.859 -6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.930 -11.263 -7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.076 -10.996 -5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.821 -12.381 -6.184 1.00 0.00 H new ATOM 53 N TYR A 42 -10.889 -7.738 -6.320 1.00 0.00 N ATOM 54 CA TYR A 42 -10.842 -6.407 -5.643 1.00 0.00 C ATOM 55 C TYR A 42 -9.505 -5.721 -5.857 1.00 0.00 C ATOM 56 O TYR A 42 -8.600 -5.847 -5.065 1.00 0.00 O ATOM 57 CB TYR A 42 -11.112 -6.575 -4.133 1.00 0.00 C ATOM 58 CG TYR A 42 -12.576 -6.958 -3.931 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.548 -5.978 -3.908 1.00 0.00 C ATOM 60 CD2 TYR A 42 -12.947 -8.273 -3.764 1.00 0.00 C ATOM 61 CE1 TYR A 42 -14.872 -6.310 -3.721 1.00 0.00 C ATOM 62 CE2 TYR A 42 -14.273 -8.607 -3.578 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.246 -7.626 -3.554 1.00 0.00 C ATOM 64 OH TYR A 42 -16.573 -7.959 -3.365 1.00 0.00 O ATOM 0 H TYR A 42 -11.813 -8.009 -6.656 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.616 -5.779 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.461 -7.344 -3.717 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -10.889 -5.648 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.268 -4.943 -4.038 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.195 -9.048 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.622 -5.533 -3.705 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.552 -9.642 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.656 -8.930 -3.266 1.00 0.00 H new ATOM 74 N SER A 43 -9.409 -5.016 -6.952 1.00 0.00 N ATOM 75 CA SER A 43 -8.140 -4.293 -7.271 1.00 0.00 C ATOM 76 C SER A 43 -8.428 -2.864 -7.695 1.00 0.00 C ATOM 77 O SER A 43 -8.794 -2.607 -8.824 1.00 0.00 O ATOM 78 CB SER A 43 -7.452 -5.020 -8.436 1.00 0.00 C ATOM 79 OG SER A 43 -8.416 -4.997 -9.477 1.00 0.00 O ATOM 0 H SER A 43 -10.154 -4.908 -7.641 1.00 0.00 H new ATOM 0 HA SER A 43 -7.505 -4.276 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.533 -4.516 -8.733 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.182 -6.041 -8.165 1.00 0.00 H new ATOM 0 HG SER A 43 -8.615 -4.068 -9.718 1.00 0.00 H new ATOM 85 N CYS A 44 -8.260 -1.957 -6.777 1.00 0.00 N ATOM 86 CA CYS A 44 -8.518 -0.528 -7.104 1.00 0.00 C ATOM 87 C CYS A 44 -7.719 -0.118 -8.328 1.00 0.00 C ATOM 88 O CYS A 44 -7.074 -0.930 -8.961 1.00 0.00 O ATOM 89 CB CYS A 44 -8.086 0.341 -5.878 1.00 0.00 C ATOM 90 SG CYS A 44 -6.954 1.723 -6.193 1.00 0.00 S ATOM 0 H CYS A 44 -7.957 -2.140 -5.820 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.577 -0.382 -7.318 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.987 0.743 -5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.618 -0.318 -5.146 1.00 0.00 H new ATOM 95 N ASP A 45 -7.815 1.131 -8.663 1.00 0.00 N ATOM 96 CA ASP A 45 -7.068 1.648 -9.850 1.00 0.00 C ATOM 97 C ASP A 45 -6.594 3.090 -9.627 1.00 0.00 C ATOM 98 O ASP A 45 -6.903 3.966 -10.412 1.00 0.00 O ATOM 99 CB ASP A 45 -8.019 1.628 -11.057 1.00 0.00 C ATOM 100 CG ASP A 45 -7.252 2.041 -12.315 1.00 0.00 C ATOM 101 OD1 ASP A 45 -6.643 1.155 -12.892 1.00 0.00 O ATOM 102 OD2 ASP A 45 -7.321 3.218 -12.628 1.00 0.00 O ATOM 0 H ASP A 45 -8.378 1.824 -8.170 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.193 1.020 -10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.440 0.631 -11.186 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.854 2.308 -10.887 1.00 0.00 H new ATOM 107 N HIS A 46 -5.838 3.320 -8.550 1.00 0.00 N ATOM 108 CA HIS A 46 -5.339 4.699 -8.269 1.00 0.00 C ATOM 109 C HIS A 46 -3.803 4.770 -8.543 1.00 0.00 C ATOM 110 O HIS A 46 -3.092 3.844 -8.221 1.00 0.00 O ATOM 111 CB HIS A 46 -5.597 4.979 -6.776 1.00 0.00 C ATOM 112 CG HIS A 46 -5.600 6.484 -6.532 1.00 0.00 C ATOM 113 ND1 HIS A 46 -4.801 7.231 -5.704 1.00 0.00 N flip ATOM 114 CD2 HIS A 46 -6.369 7.300 -7.083 1.00 0.00 C flip ATOM 115 CE1 HIS A 46 -5.152 8.543 -5.804 1.00 0.00 C flip ATOM 116 NE2 HIS A 46 -6.143 8.484 -6.693 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.558 2.610 -7.873 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.844 5.428 -8.903 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.552 4.549 -6.475 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.828 4.503 -6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.130 7.030 -7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.738 9.402 -5.298 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.661 9.299 -7.022 1.00 0.00 H new ATOM 124 N PRO A 47 -3.310 5.864 -9.148 1.00 0.00 N ATOM 125 CA PRO A 47 -1.872 5.980 -9.429 1.00 0.00 C ATOM 126 C PRO A 47 -1.033 6.063 -8.138 1.00 0.00 C ATOM 127 O PRO A 47 -1.452 6.637 -7.152 1.00 0.00 O ATOM 128 CB PRO A 47 -1.731 7.310 -10.240 1.00 0.00 C ATOM 129 CG PRO A 47 -3.114 8.035 -10.169 1.00 0.00 C ATOM 130 CD PRO A 47 -4.130 7.011 -9.610 1.00 0.00 C ATOM 0 HA PRO A 47 -1.508 5.106 -9.969 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.945 7.937 -9.820 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.456 7.104 -11.274 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.057 8.913 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.419 8.382 -11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.709 7.437 -8.790 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.842 6.703 -10.376 1.00 0.00 H new ATOM 138 N GLY A 48 0.139 5.482 -8.185 1.00 0.00 N ATOM 139 CA GLY A 48 1.038 5.506 -6.990 1.00 0.00 C ATOM 140 C GLY A 48 0.458 4.716 -5.811 1.00 0.00 C ATOM 141 O GLY A 48 0.810 4.972 -4.676 1.00 0.00 O ATOM 0 H GLY A 48 0.512 4.992 -8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.009 5.091 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.206 6.539 -6.685 1.00 0.00 H new ATOM 145 N CYS A 49 -0.418 3.772 -6.096 1.00 0.00 N ATOM 146 CA CYS A 49 -1.026 2.955 -4.988 1.00 0.00 C ATOM 147 C CYS A 49 -0.667 1.459 -5.136 1.00 0.00 C ATOM 148 O CYS A 49 -0.249 1.019 -6.189 1.00 0.00 O ATOM 149 CB CYS A 49 -2.534 3.151 -5.069 1.00 0.00 C ATOM 150 SG CYS A 49 -3.554 2.131 -3.997 1.00 0.00 S ATOM 0 H CYS A 49 -0.735 3.535 -7.036 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.640 3.279 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.751 4.196 -4.848 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.843 2.973 -6.099 1.00 0.00 H new ATOM 155 N ASP A 50 -0.842 0.711 -4.062 1.00 0.00 N ATOM 156 CA ASP A 50 -0.514 -0.770 -4.101 1.00 0.00 C ATOM 157 C ASP A 50 -1.600 -1.631 -4.734 1.00 0.00 C ATOM 158 O ASP A 50 -1.310 -2.459 -5.570 1.00 0.00 O ATOM 159 CB ASP A 50 -0.287 -1.244 -2.654 1.00 0.00 C ATOM 160 CG ASP A 50 -1.437 -0.749 -1.775 1.00 0.00 C ATOM 161 OD1 ASP A 50 -1.402 0.427 -1.451 1.00 0.00 O ATOM 162 OD2 ASP A 50 -2.283 -1.575 -1.476 1.00 0.00 O ATOM 0 H ASP A 50 -1.193 1.053 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 50 0.372 -0.887 -4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.230 -2.332 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.663 -0.863 -2.279 1.00 0.00 H new ATOM 167 N LYS A 51 -2.798 -1.458 -4.292 1.00 0.00 N ATOM 168 CA LYS A 51 -3.934 -2.254 -4.849 1.00 0.00 C ATOM 169 C LYS A 51 -3.798 -3.746 -4.614 1.00 0.00 C ATOM 170 O LYS A 51 -2.839 -4.219 -4.041 1.00 0.00 O ATOM 171 CB LYS A 51 -4.057 -2.013 -6.392 1.00 0.00 C ATOM 172 CG LYS A 51 -4.770 -0.679 -6.662 1.00 0.00 C ATOM 173 CD LYS A 51 -3.777 0.482 -6.612 1.00 0.00 C ATOM 174 CE LYS A 51 -3.031 0.622 -7.943 1.00 0.00 C ATOM 175 NZ LYS A 51 -3.985 0.681 -9.088 1.00 0.00 N ATOM 0 H LYS A 51 -3.055 -0.795 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.824 -1.911 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.066 -2.004 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.611 -2.831 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.253 -0.710 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.556 -0.524 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.306 1.408 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.062 0.320 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.420 1.524 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.352 -0.221 -8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.646 1.372 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.052 -0.257 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.923 0.969 -8.744 1.00 0.00 H new ATOM 189 N ALA A 52 -4.818 -4.446 -5.079 1.00 0.00 N ATOM 190 CA ALA A 52 -4.883 -5.939 -4.950 1.00 0.00 C ATOM 191 C ALA A 52 -5.505 -6.330 -3.618 1.00 0.00 C ATOM 192 O ALA A 52 -4.949 -6.057 -2.572 1.00 0.00 O ATOM 193 CB ALA A 52 -3.458 -6.528 -5.057 1.00 0.00 C ATOM 0 H ALA A 52 -5.621 -4.031 -5.551 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.503 -6.337 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.505 -7.613 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.027 -6.265 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.835 -6.122 -4.260 1.00 0.00 H new ATOM 199 N PHE A 53 -6.660 -6.969 -3.669 1.00 0.00 N ATOM 200 CA PHE A 53 -7.321 -7.377 -2.398 1.00 0.00 C ATOM 201 C PHE A 53 -8.135 -8.650 -2.579 1.00 0.00 C ATOM 202 O PHE A 53 -8.149 -9.233 -3.645 1.00 0.00 O ATOM 203 CB PHE A 53 -8.245 -6.235 -1.989 1.00 0.00 C ATOM 204 CG PHE A 53 -7.386 -5.007 -1.665 1.00 0.00 C ATOM 205 CD1 PHE A 53 -6.501 -5.025 -0.603 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.438 -3.880 -2.478 1.00 0.00 C ATOM 207 CE1 PHE A 53 -5.683 -3.940 -0.360 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.619 -2.802 -2.229 1.00 0.00 C ATOM 209 CZ PHE A 53 -5.743 -2.834 -1.175 1.00 0.00 C ATOM 0 H PHE A 53 -7.158 -7.217 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.567 -7.578 -1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.944 -6.007 -2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.840 -6.521 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.449 -5.892 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.126 -3.850 -3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.995 -3.960 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.667 -1.930 -2.865 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.098 -1.989 -0.984 1.00 0.00 H new ATOM 219 N VAL A 54 -8.809 -9.061 -1.519 1.00 0.00 N ATOM 220 CA VAL A 54 -9.643 -10.308 -1.589 1.00 0.00 C ATOM 221 C VAL A 54 -11.104 -10.026 -1.232 1.00 0.00 C ATOM 222 O VAL A 54 -12.004 -10.464 -1.918 1.00 0.00 O ATOM 223 CB VAL A 54 -9.060 -11.329 -0.566 1.00 0.00 C ATOM 224 CG1 VAL A 54 -7.516 -11.541 -0.843 1.00 0.00 C ATOM 225 CG2 VAL A 54 -9.274 -10.801 0.874 1.00 0.00 C ATOM 0 H VAL A 54 -8.815 -8.587 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.615 -10.699 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.573 -12.284 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.112 -12.255 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.377 -11.924 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.994 -10.590 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.866 -11.516 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.767 -9.843 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.340 -10.672 1.059 1.00 0.00 H new ATOM 235 N ARG A 55 -11.311 -9.302 -0.165 1.00 0.00 N ATOM 236 CA ARG A 55 -12.712 -8.978 0.260 1.00 0.00 C ATOM 237 C ARG A 55 -13.128 -7.596 -0.261 1.00 0.00 C ATOM 238 O ARG A 55 -12.417 -6.981 -1.028 1.00 0.00 O ATOM 239 CB ARG A 55 -12.753 -8.988 1.821 1.00 0.00 C ATOM 240 CG ARG A 55 -14.119 -9.538 2.320 1.00 0.00 C ATOM 241 CD ARG A 55 -14.090 -11.080 2.394 1.00 0.00 C ATOM 242 NE ARG A 55 -14.225 -11.638 1.006 1.00 0.00 N ATOM 243 CZ ARG A 55 -13.390 -12.559 0.585 1.00 0.00 C ATOM 244 NH1 ARG A 55 -12.985 -13.474 1.422 1.00 0.00 N ATOM 245 NH2 ARG A 55 -12.995 -12.528 -0.659 1.00 0.00 N ATOM 0 H ARG A 55 -10.577 -8.920 0.431 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.404 -9.714 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.941 -9.603 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.598 -7.979 2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.346 -9.126 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.914 -9.216 1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.158 -11.418 2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.901 -11.442 3.026 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.966 -11.301 0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.317 -13.466 2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.336 -14.197 1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.335 -11.797 -1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.346 -13.235 -1.006 1.00 0.00 H new ATOM 259 N ASN A 56 -14.281 -7.138 0.171 1.00 0.00 N ATOM 260 CA ASN A 56 -14.767 -5.802 -0.283 1.00 0.00 C ATOM 261 C ASN A 56 -14.418 -4.722 0.734 1.00 0.00 C ATOM 262 O ASN A 56 -13.926 -3.672 0.376 1.00 0.00 O ATOM 263 CB ASN A 56 -16.298 -5.871 -0.425 1.00 0.00 C ATOM 264 CG ASN A 56 -16.843 -4.489 -0.799 1.00 0.00 C ATOM 265 OD1 ASN A 56 -17.867 -4.060 -0.306 1.00 0.00 O ATOM 266 ND2 ASN A 56 -16.190 -3.762 -1.664 1.00 0.00 N ATOM 0 H ASN A 56 -14.900 -7.631 0.814 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.292 -5.552 -1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.570 -6.599 -1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.745 -6.208 0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.540 -2.839 -1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.330 -4.116 -2.082 1.00 0.00 H new ATOM 273 N HIS A 57 -14.672 -5.001 1.990 1.00 0.00 N ATOM 274 CA HIS A 57 -14.358 -3.992 3.037 1.00 0.00 C ATOM 275 C HIS A 57 -12.980 -3.378 2.806 1.00 0.00 C ATOM 276 O HIS A 57 -12.784 -2.199 3.010 1.00 0.00 O ATOM 277 CB HIS A 57 -14.417 -4.681 4.431 1.00 0.00 C ATOM 278 CG HIS A 57 -13.110 -5.433 4.721 1.00 0.00 C ATOM 279 ND1 HIS A 57 -13.000 -6.674 4.813 1.00 0.00 N ATOM 280 CD2 HIS A 57 -11.843 -4.935 4.949 1.00 0.00 C ATOM 281 CE1 HIS A 57 -11.808 -7.018 5.074 1.00 0.00 C ATOM 282 NE2 HIS A 57 -10.990 -5.970 5.179 1.00 0.00 N ATOM 0 H HIS A 57 -15.078 -5.874 2.328 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.091 -3.186 2.991 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.591 -3.933 5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.257 -5.375 4.464 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.572 -3.890 4.945 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.491 -8.043 5.197 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.990 -5.950 5.379 1.00 0.00 H new ATOM 290 N ASP A 58 -12.041 -4.186 2.392 1.00 0.00 N ATOM 291 CA ASP A 58 -10.692 -3.634 2.151 1.00 0.00 C ATOM 292 C ASP A 58 -10.810 -2.494 1.161 1.00 0.00 C ATOM 293 O ASP A 58 -10.390 -1.391 1.423 1.00 0.00 O ATOM 294 CB ASP A 58 -9.802 -4.735 1.542 1.00 0.00 C ATOM 295 CG ASP A 58 -9.664 -5.892 2.534 1.00 0.00 C ATOM 296 OD1 ASP A 58 -8.898 -5.716 3.468 1.00 0.00 O ATOM 297 OD2 ASP A 58 -10.329 -6.887 2.299 1.00 0.00 O ATOM 0 H ASP A 58 -12.152 -5.184 2.215 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.256 -3.280 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.237 -5.093 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.819 -4.330 1.301 1.00 0.00 H new ATOM 302 N LEU A 59 -11.405 -2.798 0.038 1.00 0.00 N ATOM 303 CA LEU A 59 -11.591 -1.772 -1.016 1.00 0.00 C ATOM 304 C LEU A 59 -12.203 -0.506 -0.410 1.00 0.00 C ATOM 305 O LEU A 59 -11.927 0.592 -0.848 1.00 0.00 O ATOM 306 CB LEU A 59 -12.569 -2.389 -2.079 1.00 0.00 C ATOM 307 CG LEU A 59 -12.108 -2.078 -3.526 1.00 0.00 C ATOM 308 CD1 LEU A 59 -12.151 -0.560 -3.763 1.00 0.00 C ATOM 309 CD2 LEU A 59 -10.663 -2.619 -3.775 1.00 0.00 C ATOM 0 H LEU A 59 -11.771 -3.722 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.640 -1.498 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.626 -3.468 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.573 -1.994 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.782 -2.574 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.827 -0.341 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.169 -0.198 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.487 -0.062 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.360 -2.390 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.972 -2.146 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.648 -3.699 -3.626 1.00 0.00 H new ATOM 321 N ILE A 60 -13.025 -0.688 0.597 1.00 0.00 N ATOM 322 CA ILE A 60 -13.655 0.492 1.236 1.00 0.00 C ATOM 323 C ILE A 60 -12.640 1.245 2.069 1.00 0.00 C ATOM 324 O ILE A 60 -12.387 2.412 1.842 1.00 0.00 O ATOM 325 CB ILE A 60 -14.790 0.024 2.152 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.702 -0.937 1.401 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.620 1.251 2.574 1.00 0.00 C ATOM 328 CD1 ILE A 60 -16.873 -1.364 2.314 1.00 0.00 C ATOM 0 H ILE A 60 -13.279 -1.593 0.994 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.041 1.149 0.456 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.367 -0.478 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.086 -0.459 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.139 -1.814 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.433 0.933 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.982 1.957 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.034 1.733 1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.524 -2.052 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.480 -1.859 3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.443 -0.483 2.611 1.00 0.00 H new ATOM 340 N ARG A 61 -12.074 0.567 3.022 1.00 0.00 N ATOM 341 CA ARG A 61 -11.071 1.231 3.880 1.00 0.00 C ATOM 342 C ARG A 61 -9.821 1.539 3.069 1.00 0.00 C ATOM 343 O ARG A 61 -8.949 2.257 3.514 1.00 0.00 O ATOM 344 CB ARG A 61 -10.707 0.272 5.049 1.00 0.00 C ATOM 345 CG ARG A 61 -11.693 0.480 6.222 1.00 0.00 C ATOM 346 CD ARG A 61 -11.216 1.653 7.099 1.00 0.00 C ATOM 347 NE ARG A 61 -12.141 1.799 8.258 1.00 0.00 N ATOM 348 CZ ARG A 61 -11.786 2.541 9.273 1.00 0.00 C ATOM 349 NH1 ARG A 61 -10.624 3.136 9.245 1.00 0.00 N ATOM 350 NH2 ARG A 61 -12.604 2.662 10.282 1.00 0.00 N ATOM 0 H ARG A 61 -12.263 -0.411 3.241 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.478 2.164 4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.746 -0.763 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.686 0.460 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.693 0.683 5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.760 -0.429 6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.200 1.473 7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.194 2.574 6.516 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.044 1.324 8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.010 3.018 8.439 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.331 3.719 10.029 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.504 2.181 10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.344 3.237 11.083 1.00 0.00 H new ATOM 364 N HIS A 62 -9.756 0.984 1.880 1.00 0.00 N ATOM 365 CA HIS A 62 -8.574 1.229 1.020 1.00 0.00 C ATOM 366 C HIS A 62 -8.796 2.468 0.132 1.00 0.00 C ATOM 367 O HIS A 62 -7.937 3.319 0.029 1.00 0.00 O ATOM 368 CB HIS A 62 -8.365 -0.012 0.122 1.00 0.00 C ATOM 369 CG HIS A 62 -7.406 0.333 -0.998 1.00 0.00 C ATOM 370 ND1 HIS A 62 -6.195 0.055 -1.012 1.00 0.00 N ATOM 371 CD2 HIS A 62 -7.620 1.111 -2.102 1.00 0.00 C ATOM 372 CE1 HIS A 62 -5.613 0.585 -1.997 1.00 0.00 C ATOM 373 NE2 HIS A 62 -6.441 1.293 -2.735 1.00 0.00 N ATOM 0 H HIS A 62 -10.470 0.377 1.478 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.699 1.407 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.970 -0.839 0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -9.319 -0.341 -0.290 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.731 -0.528 -0.315 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.572 1.513 -2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.560 0.471 -2.210 1.00 0.00 H new ATOM 381 N LYS A 63 -9.948 2.540 -0.488 1.00 0.00 N ATOM 382 CA LYS A 63 -10.236 3.709 -1.369 1.00 0.00 C ATOM 383 C LYS A 63 -10.466 4.990 -0.560 1.00 0.00 C ATOM 384 O LYS A 63 -10.397 6.078 -1.095 1.00 0.00 O ATOM 385 CB LYS A 63 -11.509 3.396 -2.175 1.00 0.00 C ATOM 386 CG LYS A 63 -11.561 4.310 -3.403 1.00 0.00 C ATOM 387 CD LYS A 63 -12.947 4.206 -4.056 1.00 0.00 C ATOM 388 CE LYS A 63 -13.275 2.731 -4.343 1.00 0.00 C ATOM 389 NZ LYS A 63 -13.812 2.072 -3.119 1.00 0.00 N ATOM 0 H LYS A 63 -10.693 1.847 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.378 3.874 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.511 2.351 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.393 3.547 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.360 5.341 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.788 4.024 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.703 4.635 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.967 4.780 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.005 2.664 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.378 2.211 -4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.558 1.399 -3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.045 1.564 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.208 2.793 -2.482 1.00 0.00 H new ATOM 403 N LYS A 64 -10.741 4.841 0.705 1.00 0.00 N ATOM 404 CA LYS A 64 -10.976 6.049 1.543 1.00 0.00 C ATOM 405 C LYS A 64 -9.754 6.972 1.529 1.00 0.00 C ATOM 406 O LYS A 64 -9.831 8.113 1.944 1.00 0.00 O ATOM 407 CB LYS A 64 -11.250 5.588 2.999 1.00 0.00 C ATOM 408 CG LYS A 64 -12.739 5.189 3.150 1.00 0.00 C ATOM 409 CD LYS A 64 -13.586 6.438 3.455 1.00 0.00 C ATOM 410 CE LYS A 64 -15.033 6.014 3.715 1.00 0.00 C ATOM 411 NZ LYS A 64 -15.541 5.178 2.591 1.00 0.00 N ATOM 0 H LYS A 64 -10.813 3.947 1.191 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.827 6.601 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.610 4.742 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.006 6.389 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.092 4.714 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.850 4.459 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.186 6.960 4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.543 7.134 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.092 5.454 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.661 6.897 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.580 5.138 2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.244 5.595 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.155 4.216 2.672 1.00 0.00 H new ATOM 425 N SER A 65 -8.645 6.462 1.051 1.00 0.00 N ATOM 426 CA SER A 65 -7.405 7.295 1.002 1.00 0.00 C ATOM 427 C SER A 65 -7.227 7.936 -0.371 1.00 0.00 C ATOM 428 O SER A 65 -6.256 8.623 -0.615 1.00 0.00 O ATOM 429 CB SER A 65 -6.201 6.378 1.276 1.00 0.00 C ATOM 430 OG SER A 65 -6.435 5.244 0.456 1.00 0.00 O ATOM 0 H SER A 65 -8.546 5.511 0.695 1.00 0.00 H new ATOM 0 HA SER A 65 -7.480 8.088 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.261 6.867 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.141 6.103 2.329 1.00 0.00 H new ATOM 0 HG SER A 65 -6.895 4.553 0.977 1.00 0.00 H new ATOM 436 N HIS A 66 -8.175 7.698 -1.248 1.00 0.00 N ATOM 437 CA HIS A 66 -8.090 8.285 -2.626 1.00 0.00 C ATOM 438 C HIS A 66 -9.062 9.443 -2.793 1.00 0.00 C ATOM 439 O HIS A 66 -8.666 10.589 -2.831 1.00 0.00 O ATOM 440 CB HIS A 66 -8.483 7.201 -3.636 1.00 0.00 C ATOM 441 CG HIS A 66 -7.402 6.127 -3.699 1.00 0.00 C ATOM 442 ND1 HIS A 66 -6.179 6.315 -3.526 1.00 0.00 N ATOM 443 CD2 HIS A 66 -7.525 4.789 -3.979 1.00 0.00 C ATOM 444 CE1 HIS A 66 -5.525 5.235 -3.672 1.00 0.00 C ATOM 445 NE2 HIS A 66 -6.302 4.214 -3.962 1.00 0.00 N ATOM 0 H HIS A 66 -9.000 7.125 -1.071 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.074 8.645 -2.786 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.435 6.754 -3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.623 7.645 -4.622 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.760 7.217 -3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.454 4.276 -4.181 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.452 5.164 -3.570 1.00 0.00 H new ATOM 453 N GLN A 67 -10.325 9.108 -2.895 1.00 0.00 N ATOM 454 CA GLN A 67 -11.372 10.159 -3.064 1.00 0.00 C ATOM 455 C GLN A 67 -11.378 10.668 -4.505 1.00 0.00 C ATOM 456 O GLN A 67 -11.752 11.794 -4.769 1.00 0.00 O ATOM 457 CB GLN A 67 -11.074 11.344 -2.093 1.00 0.00 C ATOM 458 CG GLN A 67 -12.400 12.013 -1.681 1.00 0.00 C ATOM 459 CD GLN A 67 -12.121 13.425 -1.151 1.00 0.00 C ATOM 460 OE1 GLN A 67 -11.029 13.942 -1.272 1.00 0.00 O ATOM 461 NE2 GLN A 67 -13.083 14.081 -0.560 1.00 0.00 N ATOM 0 H GLN A 67 -10.675 8.150 -2.868 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.349 9.732 -2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.547 10.982 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.422 12.071 -2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.075 12.061 -2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.897 11.418 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.003 13.653 -0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.915 15.022 -0.203 1.00 0.00 H new ATOM 470 N GLU A 68 -10.962 9.822 -5.411 1.00 0.00 N ATOM 471 CA GLU A 68 -10.932 10.230 -6.836 1.00 0.00 C ATOM 472 C GLU A 68 -10.068 11.480 -7.008 1.00 0.00 C ATOM 473 O GLU A 68 -9.120 11.683 -6.276 1.00 0.00 O ATOM 474 CB GLU A 68 -12.391 10.532 -7.287 1.00 0.00 C ATOM 475 CG GLU A 68 -12.551 10.190 -8.777 1.00 0.00 C ATOM 476 CD GLU A 68 -12.628 8.669 -8.949 1.00 0.00 C ATOM 477 OE1 GLU A 68 -12.522 8.001 -7.932 1.00 0.00 O ATOM 478 OE2 GLU A 68 -12.788 8.260 -10.088 1.00 0.00 O ATOM 0 H GLU A 68 -10.644 8.871 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.506 9.431 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.094 9.949 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.625 11.583 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.453 10.657 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.710 10.588 -9.344 1.00 0.00 H new ATOM 485 N LYS A 69 -10.410 12.293 -7.970 1.00 0.00 N ATOM 486 CA LYS A 69 -9.618 13.526 -8.197 1.00 0.00 C ATOM 487 C LYS A 69 -8.162 13.188 -8.517 1.00 0.00 C ATOM 488 O LYS A 69 -7.625 12.214 -8.027 1.00 0.00 O ATOM 489 CB LYS A 69 -9.673 14.374 -6.905 1.00 0.00 C ATOM 490 CG LYS A 69 -9.393 15.840 -7.247 1.00 0.00 C ATOM 491 CD LYS A 69 -9.213 16.636 -5.945 1.00 0.00 C ATOM 492 CE LYS A 69 -10.538 16.667 -5.169 1.00 0.00 C ATOM 493 NZ LYS A 69 -10.541 17.793 -4.192 1.00 0.00 N ATOM 0 H LYS A 69 -11.198 12.155 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.034 14.073 -9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.652 14.279 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.939 14.010 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.496 15.918 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.216 16.254 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.433 16.181 -5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.889 17.652 -6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.371 16.777 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.682 15.722 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.443 17.801 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.757 17.671 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.425 18.693 -4.700 1.00 0.00 H new ATOM 507 N ALA A 70 -7.550 14.000 -9.335 1.00 0.00 N ATOM 508 CA ALA A 70 -6.134 13.740 -9.695 1.00 0.00 C ATOM 509 C ALA A 70 -5.559 14.895 -10.505 1.00 0.00 C ATOM 510 O ALA A 70 -6.350 15.528 -11.183 1.00 0.00 O ATOM 511 CB ALA A 70 -6.078 12.463 -10.546 1.00 0.00 C ATOM 512 OXT ALA A 70 -4.358 15.081 -10.404 1.00 0.00 O ATOM 0 H ALA A 70 -7.968 14.825 -9.765 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.549 13.630 -8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.044 12.254 -10.821 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.477 11.626 -9.973 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.673 12.601 -11.449 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.831 2.317 -4.299 1.00 0.00 ZN